USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 639 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 22 THR OG1 : rot -69:sc= 0.677 USER MOD Set 1.2: A 25 GLN : amide:sc= -0.0811 X(o=0.6,f=0.68) USER MOD Single : A 10 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.038) USER MOD Single : A 11 MET CE :methyl -158:sc= -0.212 (180deg=-0.911) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.7!) USER MOD Single : A 36 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-3.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 57 TYR OH : rot 180:sc= 0.981 USER MOD Single : A 59 ASN : amide:sc= -0.229 K(o=-0.23,f=-2) USER MOD Single : A 62 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Single : A 76 TYR OH : rot -109:sc= 1.12 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0243 (180deg=-0.201) USER MOD Single : A 86 TYR OH : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.614 8.071 -1.062 1.00 30.33 N ATOM 147 CA HIS A 10 12.782 8.021 -2.272 1.00 60.42 C ATOM 148 C HIS A 10 11.406 7.404 -1.979 1.00 73.05 C ATOM 149 O HIS A 10 11.288 6.459 -1.196 1.00 31.11 O ATOM 150 CB HIS A 10 13.495 7.212 -3.368 1.00 13.20 C ATOM 151 CG HIS A 10 14.783 7.829 -3.831 1.00 2.32 C ATOM 152 ND1 HIS A 10 15.101 8.009 -5.161 1.00 2.21 N ATOM 153 CD2 HIS A 10 15.847 8.295 -3.134 1.00 62.21 C ATOM 154 CE1 HIS A 10 16.293 8.562 -5.257 1.00 60.32 C ATOM 155 NE2 HIS A 10 16.764 8.744 -4.044 1.00 53.52 N ATOM 0 HA HIS A 10 12.628 9.044 -2.617 1.00 60.42 H new ATOM 0 HB2 HIS A 10 13.697 6.208 -2.993 1.00 13.20 H new ATOM 0 HB3 HIS A 10 12.826 7.105 -4.222 1.00 13.20 H new ATOM 0 HD2 HIS A 10 15.952 8.309 -2.059 1.00 62.21 H new ATOM 0 HE1 HIS A 10 16.797 8.822 -6.176 1.00 60.32 H new ATOM 0 HE2 HIS A 10 17.670 9.155 -3.817 1.00 53.52 H new ATOM 164 N MET A 11 10.373 7.943 -2.614 1.00 1.45 N ATOM 165 CA MET A 11 9.006 7.444 -2.440 1.00 70.44 C ATOM 166 C MET A 11 8.776 6.125 -3.204 1.00 24.03 C ATOM 167 O MET A 11 8.512 6.115 -4.408 1.00 34.12 O ATOM 168 CB MET A 11 7.981 8.515 -2.866 1.00 54.44 C ATOM 169 CG MET A 11 8.242 9.132 -4.240 1.00 14.13 C ATOM 170 SD MET A 11 9.749 10.132 -4.291 1.00 51.31 S ATOM 171 CE MET A 11 9.356 11.398 -3.085 1.00 24.14 C ATOM 0 H MET A 11 10.452 8.730 -3.258 1.00 1.45 H new ATOM 0 HA MET A 11 8.864 7.231 -1.380 1.00 70.44 H new ATOM 0 HB2 MET A 11 6.987 8.069 -2.865 1.00 54.44 H new ATOM 0 HB3 MET A 11 7.974 9.310 -2.120 1.00 54.44 H new ATOM 0 HG2 MET A 11 8.315 8.336 -4.981 1.00 14.13 H new ATOM 0 HG3 MET A 11 7.391 9.752 -4.521 1.00 14.13 H new ATOM 0 HE1 MET A 11 9.971 12.279 -3.269 1.00 24.14 H new ATOM 0 HE2 MET A 11 8.303 11.666 -3.169 1.00 24.14 H new ATOM 0 HE3 MET A 11 9.555 11.020 -2.082 1.00 24.14 H new ATOM 181 N VAL A 12 8.910 5.009 -2.492 1.00 75.02 N ATOM 182 CA VAL A 12 8.673 3.678 -3.062 1.00 21.10 C ATOM 183 C VAL A 12 7.236 3.208 -2.758 1.00 32.42 C ATOM 184 O VAL A 12 6.848 3.082 -1.597 1.00 4.50 O ATOM 185 CB VAL A 12 9.697 2.657 -2.503 1.00 54.23 C ATOM 186 CG1 VAL A 12 9.524 1.286 -3.147 1.00 61.32 C ATOM 187 CG2 VAL A 12 11.121 3.170 -2.697 1.00 31.55 C ATOM 0 H VAL A 12 9.184 4.997 -1.510 1.00 75.02 H new ATOM 0 HA VAL A 12 8.798 3.742 -4.143 1.00 21.10 H new ATOM 0 HB VAL A 12 9.510 2.545 -1.435 1.00 54.23 H new ATOM 0 HG11 VAL A 12 10.257 0.594 -2.733 1.00 61.32 H new ATOM 0 HG12 VAL A 12 8.520 0.914 -2.946 1.00 61.32 H new ATOM 0 HG13 VAL A 12 9.671 1.369 -4.224 1.00 61.32 H new ATOM 0 HG21 VAL A 12 11.828 2.442 -2.299 1.00 31.55 H new ATOM 0 HG22 VAL A 12 11.313 3.319 -3.760 1.00 31.55 H new ATOM 0 HG23 VAL A 12 11.241 4.117 -2.171 1.00 31.55 H new ATOM 197 N VAL A 13 6.453 2.943 -3.805 1.00 41.31 N ATOM 198 CA VAL A 13 5.017 2.655 -3.650 1.00 64.15 C ATOM 199 C VAL A 13 4.661 1.190 -3.974 1.00 23.43 C ATOM 200 O VAL A 13 5.519 0.385 -4.338 1.00 34.13 O ATOM 201 CB VAL A 13 4.166 3.600 -4.539 1.00 62.23 C ATOM 202 CG1 VAL A 13 4.475 5.062 -4.225 1.00 21.10 C ATOM 203 CG2 VAL A 13 4.388 3.308 -6.022 1.00 34.21 C ATOM 0 H VAL A 13 6.784 2.921 -4.770 1.00 41.31 H new ATOM 0 HA VAL A 13 4.785 2.827 -2.599 1.00 64.15 H new ATOM 0 HB VAL A 13 3.116 3.416 -4.314 1.00 62.23 H new ATOM 0 HG11 VAL A 13 3.867 5.707 -4.860 1.00 21.10 H new ATOM 0 HG12 VAL A 13 4.248 5.265 -3.178 1.00 21.10 H new ATOM 0 HG13 VAL A 13 5.531 5.259 -4.412 1.00 21.10 H new ATOM 0 HG21 VAL A 13 3.779 3.985 -6.621 1.00 34.21 H new ATOM 0 HG22 VAL A 13 5.440 3.452 -6.268 1.00 34.21 H new ATOM 0 HG23 VAL A 13 4.103 2.278 -6.237 1.00 34.21 H new ATOM 213 N ILE A 14 3.375 0.862 -3.841 1.00 30.03 N ATOM 214 CA ILE A 14 2.873 -0.498 -4.081 1.00 43.44 C ATOM 215 C ILE A 14 1.942 -0.525 -5.317 1.00 74.01 C ATOM 216 O ILE A 14 1.282 0.469 -5.625 1.00 13.10 O ATOM 217 CB ILE A 14 2.107 -1.010 -2.826 1.00 34.41 C ATOM 218 CG1 ILE A 14 1.813 -2.521 -2.913 1.00 0.42 C ATOM 219 CG2 ILE A 14 0.817 -0.218 -2.612 1.00 15.44 C ATOM 220 CD1 ILE A 14 2.985 -3.399 -2.521 1.00 71.33 C ATOM 0 H ILE A 14 2.652 1.526 -3.565 1.00 30.03 H new ATOM 0 HA ILE A 14 3.723 -1.153 -4.274 1.00 43.44 H new ATOM 0 HB ILE A 14 2.754 -0.851 -1.964 1.00 34.41 H new ATOM 0 HG12 ILE A 14 0.966 -2.754 -2.268 1.00 0.42 H new ATOM 0 HG13 ILE A 14 1.514 -2.765 -3.932 1.00 0.42 H new ATOM 0 HG21 ILE A 14 0.301 -0.595 -1.729 1.00 15.44 H new ATOM 0 HG22 ILE A 14 1.056 0.836 -2.470 1.00 15.44 H new ATOM 0 HG23 ILE A 14 0.173 -0.329 -3.484 1.00 15.44 H new ATOM 0 HD11 ILE A 14 2.699 -4.447 -2.608 1.00 71.33 H new ATOM 0 HD12 ILE A 14 3.828 -3.196 -3.181 1.00 71.33 H new ATOM 0 HD13 ILE A 14 3.271 -3.185 -1.491 1.00 71.33 H new ATOM 232 N ARG A 15 1.894 -1.653 -6.029 1.00 11.12 N ATOM 233 CA ARG A 15 1.051 -1.777 -7.236 1.00 65.44 C ATOM 234 C ARG A 15 0.377 -3.157 -7.330 1.00 74.35 C ATOM 235 O ARG A 15 0.559 -4.005 -6.455 1.00 43.43 O ATOM 236 CB ARG A 15 1.886 -1.515 -8.502 1.00 22.22 C ATOM 237 CG ARG A 15 3.063 -2.472 -8.684 1.00 61.44 C ATOM 238 CD ARG A 15 3.859 -2.165 -9.950 1.00 21.14 C ATOM 239 NE ARG A 15 3.082 -2.389 -11.172 1.00 75.42 N ATOM 240 CZ ARG A 15 2.720 -1.446 -12.003 1.00 5.25 C ATOM 241 NH1 ARG A 15 2.947 -0.202 -11.732 1.00 64.30 N ATOM 242 NH2 ARG A 15 2.105 -1.753 -13.096 1.00 50.32 N ATOM 0 H ARG A 15 2.423 -2.494 -5.798 1.00 11.12 H new ATOM 0 HA ARG A 15 0.264 -1.027 -7.158 1.00 65.44 H new ATOM 0 HB2 ARG A 15 1.236 -1.586 -9.374 1.00 22.22 H new ATOM 0 HB3 ARG A 15 2.264 -0.493 -8.469 1.00 22.22 H new ATOM 0 HG2 ARG A 15 3.721 -2.407 -7.817 1.00 61.44 H new ATOM 0 HG3 ARG A 15 2.694 -3.497 -8.727 1.00 61.44 H new ATOM 0 HD2 ARG A 15 4.194 -1.128 -9.922 1.00 21.14 H new ATOM 0 HD3 ARG A 15 4.753 -2.788 -9.973 1.00 21.14 H new ATOM 0 HE ARG A 15 2.804 -3.346 -11.390 1.00 75.42 H new ATOM 0 HH11 ARG A 15 3.413 0.053 -10.862 1.00 64.30 H new ATOM 0 HH12 ARG A 15 2.660 0.524 -12.389 1.00 64.30 H new ATOM 0 HH21 ARG A 15 1.902 -2.729 -13.310 1.00 50.32 H new ATOM 0 HH22 ARG A 15 1.822 -1.019 -13.745 1.00 50.32 H new ATOM 256 N ARG A 16 -0.408 -3.359 -8.399 1.00 33.43 N ATOM 257 CA ARG A 16 -1.123 -4.628 -8.656 1.00 22.03 C ATOM 258 C ARG A 16 -2.321 -4.846 -7.709 1.00 71.32 C ATOM 259 O ARG A 16 -2.962 -5.898 -7.750 1.00 24.54 O ATOM 260 CB ARG A 16 -0.154 -5.821 -8.576 1.00 33.12 C ATOM 261 CG ARG A 16 0.920 -5.833 -9.664 1.00 42.33 C ATOM 262 CD ARG A 16 0.433 -6.483 -10.957 1.00 72.43 C ATOM 263 NE ARG A 16 -0.709 -5.788 -11.557 1.00 64.22 N ATOM 264 CZ ARG A 16 -1.451 -6.300 -12.501 1.00 13.24 C ATOM 265 NH1 ARG A 16 -1.193 -7.478 -12.968 1.00 61.42 N ATOM 266 NH2 ARG A 16 -2.453 -5.635 -12.975 1.00 51.31 N ATOM 0 H ARG A 16 -0.568 -2.649 -9.113 1.00 33.43 H new ATOM 0 HA ARG A 16 -1.528 -4.558 -9.666 1.00 22.03 H new ATOM 0 HB2 ARG A 16 0.333 -5.814 -7.601 1.00 33.12 H new ATOM 0 HB3 ARG A 16 -0.728 -6.745 -8.638 1.00 33.12 H new ATOM 0 HG2 ARG A 16 1.235 -4.810 -9.871 1.00 42.33 H new ATOM 0 HG3 ARG A 16 1.797 -6.369 -9.299 1.00 42.33 H new ATOM 0 HD2 ARG A 16 1.253 -6.508 -11.675 1.00 72.43 H new ATOM 0 HD3 ARG A 16 0.155 -7.517 -10.754 1.00 72.43 H new ATOM 0 HE ARG A 16 -0.937 -4.853 -11.219 1.00 64.22 H new ATOM 0 HH11 ARG A 16 -0.406 -8.012 -12.599 1.00 61.42 H new ATOM 0 HH12 ARG A 16 -1.776 -7.873 -13.706 1.00 61.42 H new ATOM 0 HH21 ARG A 16 -2.667 -4.706 -12.611 1.00 51.31 H new ATOM 0 HH22 ARG A 16 -3.030 -6.039 -13.713 1.00 51.31 H new ATOM 280 N LEU A 17 -2.646 -3.842 -6.892 1.00 21.11 N ATOM 281 CA LEU A 17 -3.759 -3.944 -5.931 1.00 0.14 C ATOM 282 C LEU A 17 -5.120 -4.163 -6.626 1.00 31.53 C ATOM 283 O LEU A 17 -5.603 -3.300 -7.367 1.00 71.42 O ATOM 284 CB LEU A 17 -3.840 -2.688 -5.040 1.00 21.55 C ATOM 285 CG LEU A 17 -2.782 -2.571 -3.928 1.00 63.14 C ATOM 286 CD1 LEU A 17 -2.795 -3.805 -3.028 1.00 30.21 C ATOM 287 CD2 LEU A 17 -1.397 -2.337 -4.512 1.00 13.25 C ATOM 0 H LEU A 17 -2.157 -2.947 -6.873 1.00 21.11 H new ATOM 0 HA LEU A 17 -3.548 -4.817 -5.314 1.00 0.14 H new ATOM 0 HB2 LEU A 17 -3.762 -1.809 -5.680 1.00 21.55 H new ATOM 0 HB3 LEU A 17 -4.827 -2.660 -4.578 1.00 21.55 H new ATOM 0 HG LEU A 17 -3.036 -1.706 -3.315 1.00 63.14 H new ATOM 0 HD11 LEU A 17 -2.038 -3.697 -2.251 1.00 30.21 H new ATOM 0 HD12 LEU A 17 -3.777 -3.908 -2.566 1.00 30.21 H new ATOM 0 HD13 LEU A 17 -2.579 -4.692 -3.624 1.00 30.21 H new ATOM 0 HD21 LEU A 17 -0.670 -2.258 -3.704 1.00 13.25 H new ATOM 0 HD22 LEU A 17 -1.130 -3.171 -5.161 1.00 13.25 H new ATOM 0 HD23 LEU A 17 -1.397 -1.413 -5.091 1.00 13.25 H new ATOM 299 N PRO A 18 -5.747 -5.336 -6.421 1.00 15.44 N ATOM 300 CA PRO A 18 -7.090 -5.621 -6.920 1.00 5.51 C ATOM 301 C PRO A 18 -8.188 -5.331 -5.875 1.00 51.13 C ATOM 302 O PRO A 18 -7.983 -5.523 -4.674 1.00 73.14 O ATOM 303 CB PRO A 18 -7.003 -7.118 -7.224 1.00 12.24 C ATOM 304 CG PRO A 18 -6.023 -7.667 -6.227 1.00 64.40 C ATOM 305 CD PRO A 18 -5.191 -6.503 -5.714 1.00 23.10 C ATOM 0 HA PRO A 18 -7.366 -5.001 -7.773 1.00 5.51 H new ATOM 0 HB2 PRO A 18 -7.977 -7.597 -7.124 1.00 12.24 H new ATOM 0 HB3 PRO A 18 -6.665 -7.293 -8.245 1.00 12.24 H new ATOM 0 HG2 PRO A 18 -6.546 -8.156 -5.405 1.00 64.40 H new ATOM 0 HG3 PRO A 18 -5.385 -8.419 -6.691 1.00 64.40 H new ATOM 0 HD2 PRO A 18 -5.278 -6.395 -4.633 1.00 23.10 H new ATOM 0 HD3 PRO A 18 -4.133 -6.639 -5.937 1.00 23.10 H new ATOM 313 N PRO A 19 -9.371 -4.865 -6.316 1.00 35.54 N ATOM 314 CA PRO A 19 -10.498 -4.584 -5.409 1.00 2.35 C ATOM 315 C PRO A 19 -11.008 -5.846 -4.685 1.00 75.11 C ATOM 316 O PRO A 19 -11.327 -6.855 -5.320 1.00 43.04 O ATOM 317 CB PRO A 19 -11.578 -4.016 -6.347 1.00 62.32 C ATOM 318 CG PRO A 19 -11.204 -4.510 -7.705 1.00 43.21 C ATOM 319 CD PRO A 19 -9.702 -4.567 -7.719 1.00 11.21 C ATOM 0 HA PRO A 19 -10.213 -3.904 -4.606 1.00 2.35 H new ATOM 0 HB2 PRO A 19 -12.571 -4.361 -6.061 1.00 62.32 H new ATOM 0 HB3 PRO A 19 -11.597 -2.927 -6.314 1.00 62.32 H new ATOM 0 HG2 PRO A 19 -11.635 -5.493 -7.896 1.00 43.21 H new ATOM 0 HG3 PRO A 19 -11.578 -3.842 -8.481 1.00 43.21 H new ATOM 0 HD2 PRO A 19 -9.333 -5.339 -8.394 1.00 11.21 H new ATOM 0 HD3 PRO A 19 -9.265 -3.623 -8.046 1.00 11.21 H new ATOM 327 N GLY A 20 -11.097 -5.780 -3.357 1.00 63.41 N ATOM 328 CA GLY A 20 -11.508 -6.942 -2.575 1.00 70.12 C ATOM 329 C GLY A 20 -11.655 -6.641 -1.086 1.00 75.45 C ATOM 330 O GLY A 20 -12.746 -6.727 -0.527 1.00 35.24 O ATOM 0 H GLY A 20 -10.893 -4.945 -2.807 1.00 63.41 H new ATOM 0 HA2 GLY A 20 -12.458 -7.314 -2.960 1.00 70.12 H new ATOM 0 HA3 GLY A 20 -10.776 -7.739 -2.708 1.00 70.12 H new ATOM 334 N LEU A 21 -10.552 -6.300 -0.437 1.00 64.13 N ATOM 335 CA LEU A 21 -10.574 -5.961 0.991 1.00 22.13 C ATOM 336 C LEU A 21 -10.705 -4.449 1.227 1.00 54.24 C ATOM 337 O LEU A 21 -10.560 -3.638 0.313 1.00 72.05 O ATOM 338 CB LEU A 21 -9.326 -6.498 1.716 1.00 11.32 C ATOM 339 CG LEU A 21 -7.986 -5.797 1.429 1.00 11.45 C ATOM 340 CD1 LEU A 21 -6.915 -6.348 2.360 1.00 71.44 C ATOM 341 CD2 LEU A 21 -7.555 -5.949 -0.030 1.00 54.04 C ATOM 0 H LEU A 21 -9.629 -6.249 -0.869 1.00 64.13 H new ATOM 0 HA LEU A 21 -11.458 -6.444 1.407 1.00 22.13 H new ATOM 0 HB2 LEU A 21 -9.511 -6.446 2.789 1.00 11.32 H new ATOM 0 HB3 LEU A 21 -9.216 -7.552 1.462 1.00 11.32 H new ATOM 0 HG LEU A 21 -8.120 -4.731 1.611 1.00 11.45 H new ATOM 0 HD11 LEU A 21 -5.966 -5.852 2.157 1.00 71.44 H new ATOM 0 HD12 LEU A 21 -7.205 -6.167 3.395 1.00 71.44 H new ATOM 0 HD13 LEU A 21 -6.806 -7.420 2.195 1.00 71.44 H new ATOM 0 HD21 LEU A 21 -6.605 -5.438 -0.184 1.00 54.04 H new ATOM 0 HD22 LEU A 21 -7.441 -7.007 -0.267 1.00 54.04 H new ATOM 0 HD23 LEU A 21 -8.312 -5.511 -0.681 1.00 54.04 H new ATOM 353 N THR A 22 -10.974 -4.086 2.479 1.00 44.30 N ATOM 354 CA THR A 22 -11.186 -2.686 2.868 1.00 23.52 C ATOM 355 C THR A 22 -9.861 -2.016 3.252 1.00 73.01 C ATOM 356 O THR A 22 -8.971 -2.667 3.798 1.00 21.15 O ATOM 357 CB THR A 22 -12.150 -2.593 4.079 1.00 12.22 C ATOM 358 OG1 THR A 22 -13.261 -3.478 3.891 1.00 75.14 O ATOM 359 CG2 THR A 22 -12.662 -1.167 4.280 1.00 30.44 C ATOM 0 H THR A 22 -11.052 -4.747 3.252 1.00 44.30 H new ATOM 0 HA THR A 22 -11.619 -2.174 2.009 1.00 23.52 H new ATOM 0 HB THR A 22 -11.593 -2.884 4.969 1.00 12.22 H new ATOM 0 HG1 THR A 22 -13.822 -3.147 3.159 1.00 75.14 H new ATOM 0 HG21 THR A 22 -13.335 -1.139 5.137 1.00 30.44 H new ATOM 0 HG22 THR A 22 -11.819 -0.500 4.459 1.00 30.44 H new ATOM 0 HG23 THR A 22 -13.198 -0.844 3.388 1.00 30.44 H new ATOM 367 N LYS A 23 -9.743 -0.713 2.979 1.00 51.24 N ATOM 368 CA LYS A 23 -8.536 0.069 3.308 1.00 32.11 C ATOM 369 C LYS A 23 -7.983 -0.238 4.718 1.00 41.01 C ATOM 370 O LYS A 23 -6.774 -0.255 4.921 1.00 14.31 O ATOM 371 CB LYS A 23 -8.837 1.570 3.173 1.00 32.31 C ATOM 372 CG LYS A 23 -9.974 2.062 4.066 1.00 35.31 C ATOM 373 CD LYS A 23 -10.323 3.526 3.800 1.00 2.31 C ATOM 374 CE LYS A 23 -9.150 4.461 4.075 1.00 11.12 C ATOM 375 NZ LYS A 23 -9.508 5.885 3.830 1.00 1.03 N ATOM 0 H LYS A 23 -10.476 -0.168 2.525 1.00 51.24 H new ATOM 0 HA LYS A 23 -7.762 -0.224 2.598 1.00 32.11 H new ATOM 0 HB2 LYS A 23 -7.934 2.133 3.410 1.00 32.31 H new ATOM 0 HB3 LYS A 23 -9.085 1.788 2.134 1.00 32.31 H new ATOM 0 HG2 LYS A 23 -10.857 1.444 3.902 1.00 35.31 H new ATOM 0 HG3 LYS A 23 -9.691 1.942 5.112 1.00 35.31 H new ATOM 0 HD2 LYS A 23 -10.639 3.639 2.763 1.00 2.31 H new ATOM 0 HD3 LYS A 23 -11.169 3.815 4.424 1.00 2.31 H new ATOM 0 HE2 LYS A 23 -8.824 4.341 5.108 1.00 11.12 H new ATOM 0 HE3 LYS A 23 -8.308 4.184 3.441 1.00 11.12 H new ATOM 0 HZ1 LYS A 23 -8.685 6.489 4.028 1.00 1.03 H new ATOM 0 HZ2 LYS A 23 -9.795 6.005 2.838 1.00 1.03 H new ATOM 0 HZ3 LYS A 23 -10.295 6.157 4.453 1.00 1.03 H new ATOM 389 N GLU A 24 -8.872 -0.504 5.676 1.00 32.13 N ATOM 390 CA GLU A 24 -8.465 -0.832 7.052 1.00 10.05 C ATOM 391 C GLU A 24 -7.706 -2.174 7.124 1.00 20.45 C ATOM 392 O GLU A 24 -6.733 -2.309 7.865 1.00 73.12 O ATOM 393 CB GLU A 24 -9.702 -0.861 7.957 1.00 52.54 C ATOM 394 CG GLU A 24 -10.424 0.483 8.028 1.00 5.40 C ATOM 395 CD GLU A 24 -11.701 0.436 8.850 1.00 32.44 C ATOM 396 OE1 GLU A 24 -11.621 0.195 10.072 1.00 75.14 O ATOM 397 OE2 GLU A 24 -12.793 0.644 8.279 1.00 2.22 O ATOM 0 H GLU A 24 -9.881 -0.500 5.529 1.00 32.13 H new ATOM 0 HA GLU A 24 -7.778 -0.059 7.398 1.00 10.05 H new ATOM 0 HB2 GLU A 24 -10.394 -1.620 7.592 1.00 52.54 H new ATOM 0 HB3 GLU A 24 -9.403 -1.160 8.962 1.00 52.54 H new ATOM 0 HG2 GLU A 24 -9.752 1.227 8.456 1.00 5.40 H new ATOM 0 HG3 GLU A 24 -10.663 0.813 7.017 1.00 5.40 H new ATOM 404 N GLN A 25 -8.160 -3.162 6.354 1.00 74.20 N ATOM 405 CA GLN A 25 -7.466 -4.463 6.244 1.00 23.21 C ATOM 406 C GLN A 25 -6.333 -4.387 5.211 1.00 54.44 C ATOM 407 O GLN A 25 -5.433 -5.221 5.180 1.00 4.14 O ATOM 408 CB GLN A 25 -8.450 -5.554 5.802 1.00 65.34 C ATOM 409 CG GLN A 25 -9.668 -5.712 6.698 1.00 60.30 C ATOM 410 CD GLN A 25 -10.734 -6.593 6.064 1.00 23.40 C ATOM 411 OE1 GLN A 25 -10.745 -7.808 6.230 1.00 33.41 O ATOM 412 NE2 GLN A 25 -11.633 -5.983 5.320 1.00 64.50 N ATOM 0 H GLN A 25 -9.008 -3.094 5.791 1.00 74.20 H new ATOM 0 HA GLN A 25 -7.054 -4.704 7.224 1.00 23.21 H new ATOM 0 HB2 GLN A 25 -8.787 -5.332 4.790 1.00 65.34 H new ATOM 0 HB3 GLN A 25 -7.921 -6.506 5.760 1.00 65.34 H new ATOM 0 HG2 GLN A 25 -9.363 -6.142 7.652 1.00 60.30 H new ATOM 0 HG3 GLN A 25 -10.090 -4.730 6.912 1.00 60.30 H new ATOM 0 HE21 GLN A 25 -11.596 -4.971 5.202 1.00 64.50 H new ATOM 0 HE22 GLN A 25 -12.367 -6.523 4.861 1.00 64.50 H new ATOM 421 N LEU A 26 -6.419 -3.388 4.349 1.00 43.04 N ATOM 422 CA LEU A 26 -5.489 -3.221 3.232 1.00 74.24 C ATOM 423 C LEU A 26 -4.231 -2.432 3.642 1.00 12.20 C ATOM 424 O LEU A 26 -3.139 -2.676 3.125 1.00 14.35 O ATOM 425 CB LEU A 26 -6.247 -2.546 2.072 1.00 73.31 C ATOM 426 CG LEU A 26 -5.392 -1.902 0.967 1.00 64.45 C ATOM 427 CD1 LEU A 26 -4.576 -2.959 0.224 1.00 1.33 C ATOM 428 CD2 LEU A 26 -6.274 -1.115 -0.003 1.00 14.12 C ATOM 0 H LEU A 26 -7.136 -2.665 4.400 1.00 43.04 H new ATOM 0 HA LEU A 26 -5.126 -4.197 2.909 1.00 74.24 H new ATOM 0 HB2 LEU A 26 -6.894 -3.291 1.610 1.00 73.31 H new ATOM 0 HB3 LEU A 26 -6.895 -1.777 2.492 1.00 73.31 H new ATOM 0 HG LEU A 26 -4.694 -1.208 1.436 1.00 64.45 H new ATOM 0 HD11 LEU A 26 -3.980 -2.479 -0.552 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -3.916 -3.469 0.926 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -5.250 -3.684 -0.232 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -5.652 -0.666 -0.778 1.00 14.12 H new ATOM 0 HD22 LEU A 26 -6.999 -1.787 -0.463 1.00 14.12 H new ATOM 0 HD23 LEU A 26 -6.801 -0.330 0.539 1.00 14.12 H new ATOM 440 N GLU A 27 -4.377 -1.516 4.595 1.00 23.22 N ATOM 441 CA GLU A 27 -3.252 -0.692 5.060 1.00 62.41 C ATOM 442 C GLU A 27 -2.271 -1.491 5.938 1.00 0.24 C ATOM 443 O GLU A 27 -1.064 -1.242 5.921 1.00 42.21 O ATOM 444 CB GLU A 27 -3.769 0.518 5.854 1.00 64.42 C ATOM 445 CG GLU A 27 -4.488 0.149 7.152 1.00 24.24 C ATOM 446 CD GLU A 27 -4.891 1.363 7.973 1.00 23.53 C ATOM 447 OE1 GLU A 27 -4.017 1.942 8.652 1.00 2.21 O ATOM 448 OE2 GLU A 27 -6.082 1.729 7.965 1.00 44.30 O ATOM 0 H GLU A 27 -5.262 -1.321 5.064 1.00 23.22 H new ATOM 0 HA GLU A 27 -2.717 -0.355 4.172 1.00 62.41 H new ATOM 0 HB2 GLU A 27 -2.929 1.171 6.089 1.00 64.42 H new ATOM 0 HB3 GLU A 27 -4.450 1.089 5.223 1.00 64.42 H new ATOM 0 HG2 GLU A 27 -5.378 -0.434 6.915 1.00 24.24 H new ATOM 0 HG3 GLU A 27 -3.839 -0.489 7.752 1.00 24.24 H new ATOM 455 N GLU A 28 -2.794 -2.463 6.686 1.00 51.05 N ATOM 456 CA GLU A 28 -2.017 -3.171 7.719 1.00 11.23 C ATOM 457 C GLU A 28 -0.711 -3.804 7.184 1.00 63.10 C ATOM 458 O GLU A 28 0.256 -3.949 7.933 1.00 5.14 O ATOM 459 CB GLU A 28 -2.889 -4.230 8.412 1.00 44.40 C ATOM 460 CG GLU A 28 -3.443 -5.297 7.479 1.00 14.54 C ATOM 461 CD GLU A 28 -4.231 -6.364 8.221 1.00 51.13 C ATOM 462 OE1 GLU A 28 -3.602 -7.297 8.761 1.00 41.04 O ATOM 463 OE2 GLU A 28 -5.475 -6.267 8.286 1.00 45.34 O ATOM 0 H GLU A 28 -3.758 -2.784 6.599 1.00 51.05 H new ATOM 0 HA GLU A 28 -1.712 -2.418 8.445 1.00 11.23 H new ATOM 0 HB2 GLU A 28 -2.300 -4.715 9.190 1.00 44.40 H new ATOM 0 HB3 GLU A 28 -3.721 -3.730 8.907 1.00 44.40 H new ATOM 0 HG2 GLU A 28 -4.086 -4.827 6.735 1.00 14.54 H new ATOM 0 HG3 GLU A 28 -2.620 -5.766 6.939 1.00 14.54 H new ATOM 470 N GLN A 29 -0.670 -4.176 5.899 1.00 63.21 N ATOM 471 CA GLN A 29 0.568 -4.711 5.295 1.00 23.52 C ATOM 472 C GLN A 29 1.294 -3.663 4.428 1.00 12.01 C ATOM 473 O GLN A 29 2.405 -3.901 3.965 1.00 74.40 O ATOM 474 CB GLN A 29 0.291 -5.976 4.457 1.00 15.43 C ATOM 475 CG GLN A 29 -0.831 -5.834 3.428 1.00 23.41 C ATOM 476 CD GLN A 29 -2.201 -6.124 4.013 1.00 24.44 C ATOM 477 OE1 GLN A 29 -2.336 -6.920 4.934 1.00 52.34 O ATOM 478 NE2 GLN A 29 -3.223 -5.486 3.486 1.00 44.11 N ATOM 0 H GLN A 29 -1.464 -4.120 5.261 1.00 63.21 H new ATOM 0 HA GLN A 29 1.220 -4.976 6.127 1.00 23.52 H new ATOM 0 HB2 GLN A 29 1.207 -6.258 3.938 1.00 15.43 H new ATOM 0 HB3 GLN A 29 0.043 -6.795 5.133 1.00 15.43 H new ATOM 0 HG2 GLN A 29 -0.820 -4.823 3.022 1.00 23.41 H new ATOM 0 HG3 GLN A 29 -0.644 -6.513 2.596 1.00 23.41 H new ATOM 0 HE21 GLN A 29 -3.074 -4.830 2.720 1.00 44.11 H new ATOM 0 HE22 GLN A 29 -4.164 -5.647 3.844 1.00 44.11 H new ATOM 487 N LEU A 30 0.665 -2.508 4.211 1.00 20.44 N ATOM 488 CA LEU A 30 1.269 -1.438 3.400 1.00 41.15 C ATOM 489 C LEU A 30 1.978 -0.375 4.265 1.00 63.12 C ATOM 490 O LEU A 30 2.725 0.460 3.750 1.00 35.12 O ATOM 491 CB LEU A 30 0.199 -0.772 2.525 1.00 1.21 C ATOM 492 CG LEU A 30 -0.507 -1.706 1.528 1.00 34.14 C ATOM 493 CD1 LEU A 30 -1.531 -0.938 0.698 1.00 45.34 C ATOM 494 CD2 LEU A 30 0.513 -2.396 0.621 1.00 44.40 C ATOM 0 H LEU A 30 -0.259 -2.285 4.581 1.00 20.44 H new ATOM 0 HA LEU A 30 2.026 -1.901 2.768 1.00 41.15 H new ATOM 0 HB2 LEU A 30 -0.553 -0.326 3.176 1.00 1.21 H new ATOM 0 HB3 LEU A 30 0.663 0.043 1.969 1.00 1.21 H new ATOM 0 HG LEU A 30 -1.035 -2.472 2.096 1.00 34.14 H new ATOM 0 HD11 LEU A 30 -2.018 -1.619 -0.000 1.00 45.34 H new ATOM 0 HD12 LEU A 30 -2.279 -0.499 1.358 1.00 45.34 H new ATOM 0 HD13 LEU A 30 -1.029 -0.146 0.142 1.00 45.34 H new ATOM 0 HD21 LEU A 30 -0.006 -3.052 -0.077 1.00 44.40 H new ATOM 0 HD22 LEU A 30 1.072 -1.644 0.064 1.00 44.40 H new ATOM 0 HD23 LEU A 30 1.201 -2.984 1.228 1.00 44.40 H new ATOM 506 N ARG A 31 1.748 -0.398 5.580 1.00 22.12 N ATOM 507 CA ARG A 31 2.406 0.561 6.484 1.00 23.10 C ATOM 508 C ARG A 31 2.984 -0.083 7.765 1.00 52.15 C ATOM 509 O ARG A 31 2.917 0.520 8.835 1.00 51.31 O ATOM 510 CB ARG A 31 1.431 1.705 6.841 1.00 4.14 C ATOM 511 CG ARG A 31 0.020 1.260 7.241 1.00 75.41 C ATOM 512 CD ARG A 31 -0.085 0.775 8.686 1.00 3.22 C ATOM 513 NE ARG A 31 -1.480 0.704 9.126 1.00 33.14 N ATOM 514 CZ ARG A 31 -1.934 -0.103 10.048 1.00 20.13 C ATOM 515 NH1 ARG A 31 -1.176 -1.004 10.579 1.00 54.04 N ATOM 516 NH2 ARG A 31 -3.166 -0.018 10.416 1.00 1.44 N ATOM 0 H ARG A 31 1.122 -1.058 6.042 1.00 22.12 H new ATOM 0 HA ARG A 31 3.263 0.959 5.941 1.00 23.10 H new ATOM 0 HB2 ARG A 31 1.858 2.282 7.661 1.00 4.14 H new ATOM 0 HB3 ARG A 31 1.354 2.375 5.985 1.00 4.14 H new ATOM 0 HG2 ARG A 31 -0.669 2.092 7.096 1.00 75.41 H new ATOM 0 HG3 ARG A 31 -0.302 0.460 6.574 1.00 75.41 H new ATOM 0 HD2 ARG A 31 0.377 -0.208 8.776 1.00 3.22 H new ATOM 0 HD3 ARG A 31 0.470 1.449 9.339 1.00 3.22 H new ATOM 0 HE ARG A 31 -2.148 1.332 8.679 1.00 33.14 H new ATOM 0 HH11 ARG A 31 -0.205 -1.095 10.280 1.00 54.04 H new ATOM 0 HH12 ARG A 31 -1.548 -1.625 11.297 1.00 54.04 H new ATOM 0 HH21 ARG A 31 -3.779 0.676 9.988 1.00 1.44 H new ATOM 0 HH22 ARG A 31 -3.528 -0.644 11.135 1.00 1.44 H new ATOM 530 N PRO A 32 3.624 -1.275 7.685 1.00 31.12 N ATOM 531 CA PRO A 32 4.219 -1.915 8.868 1.00 70.14 C ATOM 532 C PRO A 32 5.635 -1.390 9.192 1.00 2.14 C ATOM 533 O PRO A 32 6.378 -2.002 9.963 1.00 5.43 O ATOM 534 CB PRO A 32 4.266 -3.388 8.454 1.00 73.14 C ATOM 535 CG PRO A 32 4.509 -3.350 6.982 1.00 44.32 C ATOM 536 CD PRO A 32 3.823 -2.101 6.471 1.00 5.31 C ATOM 0 HA PRO A 32 3.649 -1.718 9.776 1.00 70.14 H new ATOM 0 HB2 PRO A 32 5.061 -3.922 8.975 1.00 73.14 H new ATOM 0 HB3 PRO A 32 3.332 -3.897 8.690 1.00 73.14 H new ATOM 0 HG2 PRO A 32 5.577 -3.324 6.765 1.00 44.32 H new ATOM 0 HG3 PRO A 32 4.107 -4.240 6.498 1.00 44.32 H new ATOM 0 HD2 PRO A 32 4.436 -1.583 5.733 1.00 5.31 H new ATOM 0 HD3 PRO A 32 2.874 -2.336 5.989 1.00 5.31 H new ATOM 544 N LEU A 33 5.994 -0.245 8.606 1.00 60.31 N ATOM 545 CA LEU A 33 7.330 0.344 8.781 1.00 64.42 C ATOM 546 C LEU A 33 7.449 1.086 10.125 1.00 44.14 C ATOM 547 O LEU A 33 6.457 1.589 10.652 1.00 60.41 O ATOM 548 CB LEU A 33 7.646 1.320 7.627 1.00 14.22 C ATOM 549 CG LEU A 33 7.761 0.697 6.223 1.00 3.33 C ATOM 550 CD1 LEU A 33 6.396 0.276 5.685 1.00 1.12 C ATOM 551 CD2 LEU A 33 8.442 1.668 5.261 1.00 41.41 C ATOM 0 H LEU A 33 5.376 0.297 8.002 1.00 60.31 H new ATOM 0 HA LEU A 33 8.049 -0.475 8.774 1.00 64.42 H new ATOM 0 HB2 LEU A 33 6.868 2.083 7.601 1.00 14.22 H new ATOM 0 HB3 LEU A 33 8.583 1.828 7.854 1.00 14.22 H new ATOM 0 HG LEU A 33 8.375 -0.200 6.306 1.00 3.33 H new ATOM 0 HD11 LEU A 33 6.514 -0.159 4.693 1.00 1.12 H new ATOM 0 HD12 LEU A 33 5.953 -0.461 6.354 1.00 1.12 H new ATOM 0 HD13 LEU A 33 5.745 1.148 5.623 1.00 1.12 H new ATOM 0 HD21 LEU A 33 8.515 1.211 4.274 1.00 41.41 H new ATOM 0 HD22 LEU A 33 7.856 2.585 5.194 1.00 41.41 H new ATOM 0 HD23 LEU A 33 9.442 1.902 5.627 1.00 41.41 H new ATOM 563 N PRO A 34 8.674 1.180 10.690 1.00 4.25 N ATOM 564 CA PRO A 34 8.906 1.876 11.974 1.00 12.11 C ATOM 565 C PRO A 34 8.673 3.401 11.886 1.00 23.31 C ATOM 566 O PRO A 34 8.292 4.037 12.872 1.00 34.41 O ATOM 567 CB PRO A 34 10.381 1.567 12.284 1.00 40.12 C ATOM 568 CG PRO A 34 10.997 1.281 10.954 1.00 51.00 C ATOM 569 CD PRO A 34 9.922 0.609 10.142 1.00 63.53 C ATOM 0 HA PRO A 34 8.213 1.540 12.745 1.00 12.11 H new ATOM 0 HB2 PRO A 34 10.868 2.411 12.773 1.00 40.12 H new ATOM 0 HB3 PRO A 34 10.474 0.713 12.955 1.00 40.12 H new ATOM 0 HG2 PRO A 34 11.334 2.199 10.473 1.00 51.00 H new ATOM 0 HG3 PRO A 34 11.870 0.636 11.057 1.00 51.00 H new ATOM 0 HD2 PRO A 34 10.029 0.822 9.078 1.00 63.53 H new ATOM 0 HD3 PRO A 34 9.952 -0.475 10.254 1.00 63.53 H new ATOM 577 N ALA A 35 8.914 3.979 10.707 1.00 10.14 N ATOM 578 CA ALA A 35 8.714 5.420 10.491 1.00 4.10 C ATOM 579 C ALA A 35 8.643 5.767 8.995 1.00 32.15 C ATOM 580 O ALA A 35 9.597 5.532 8.253 1.00 63.15 O ATOM 581 CB ALA A 35 9.829 6.216 11.161 1.00 0.42 C ATOM 0 H ALA A 35 9.248 3.475 9.886 1.00 10.14 H new ATOM 0 HA ALA A 35 7.759 5.690 10.941 1.00 4.10 H new ATOM 0 HB1 ALA A 35 9.668 7.281 10.993 1.00 0.42 H new ATOM 0 HB2 ALA A 35 9.828 6.014 12.232 1.00 0.42 H new ATOM 0 HB3 ALA A 35 10.790 5.923 10.738 1.00 0.42 H new ATOM 587 N HIS A 36 7.508 6.327 8.560 1.00 31.42 N ATOM 588 CA HIS A 36 7.331 6.757 7.161 1.00 75.44 C ATOM 589 C HIS A 36 5.927 7.338 6.932 1.00 54.21 C ATOM 590 O HIS A 36 5.023 7.142 7.746 1.00 64.02 O ATOM 591 CB HIS A 36 7.544 5.582 6.190 1.00 43.34 C ATOM 592 CG HIS A 36 6.359 4.672 6.066 1.00 3.44 C ATOM 593 ND1 HIS A 36 5.689 4.148 7.149 1.00 52.30 N ATOM 594 CD2 HIS A 36 5.708 4.212 4.970 1.00 1.02 C ATOM 595 CE1 HIS A 36 4.684 3.410 6.731 1.00 14.40 C ATOM 596 NE2 HIS A 36 4.671 3.429 5.414 1.00 51.00 N ATOM 0 H HIS A 36 6.696 6.495 9.154 1.00 31.42 H new ATOM 0 HA HIS A 36 8.077 7.528 6.969 1.00 75.44 H new ATOM 0 HB2 HIS A 36 7.790 5.978 5.205 1.00 43.34 H new ATOM 0 HB3 HIS A 36 8.403 5.000 6.523 1.00 43.34 H new ATOM 0 HD2 HIS A 36 5.958 4.422 3.940 1.00 1.02 H new ATOM 0 HE1 HIS A 36 3.987 2.878 7.361 1.00 14.40 H new ATOM 0 HE2 HIS A 36 4.000 2.941 4.821 1.00 51.00 H new ATOM 605 N ASP A 37 5.742 8.024 5.806 1.00 32.05 N ATOM 606 CA ASP A 37 4.418 8.516 5.414 1.00 62.34 C ATOM 607 C ASP A 37 3.666 7.461 4.586 1.00 2.41 C ATOM 608 O ASP A 37 4.253 6.769 3.748 1.00 12.34 O ATOM 609 CB ASP A 37 4.541 9.816 4.613 1.00 63.11 C ATOM 610 CG ASP A 37 5.163 10.940 5.422 1.00 53.24 C ATOM 611 OD1 ASP A 37 4.448 11.564 6.239 1.00 44.11 O ATOM 612 OD2 ASP A 37 6.366 11.211 5.240 1.00 60.15 O ATOM 0 H ASP A 37 6.488 8.253 5.149 1.00 32.05 H new ATOM 0 HA ASP A 37 3.851 8.714 6.324 1.00 62.34 H new ATOM 0 HB2 ASP A 37 5.145 9.635 3.724 1.00 63.11 H new ATOM 0 HB3 ASP A 37 3.553 10.123 4.270 1.00 63.11 H new ATOM 617 N TYR A 38 2.371 7.328 4.835 1.00 53.25 N ATOM 618 CA TYR A 38 1.526 6.388 4.092 1.00 63.14 C ATOM 619 C TYR A 38 0.310 7.110 3.496 1.00 44.21 C ATOM 620 O TYR A 38 -0.479 7.725 4.216 1.00 23.44 O ATOM 621 CB TYR A 38 1.095 5.215 4.995 1.00 35.04 C ATOM 622 CG TYR A 38 0.646 5.631 6.385 1.00 0.21 C ATOM 623 CD1 TYR A 38 1.578 5.840 7.398 1.00 44.21 C ATOM 624 CD2 TYR A 38 -0.700 5.822 6.686 1.00 44.40 C ATOM 625 CE1 TYR A 38 1.184 6.222 8.662 1.00 71.51 C ATOM 626 CE2 TYR A 38 -1.100 6.210 7.952 1.00 5.32 C ATOM 627 CZ TYR A 38 -0.153 6.407 8.935 1.00 74.33 C ATOM 628 OH TYR A 38 -0.536 6.809 10.195 1.00 31.22 O ATOM 0 H TYR A 38 1.875 7.860 5.550 1.00 53.25 H new ATOM 0 HA TYR A 38 2.107 5.977 3.267 1.00 63.14 H new ATOM 0 HB2 TYR A 38 0.281 4.677 4.509 1.00 35.04 H new ATOM 0 HB3 TYR A 38 1.928 4.518 5.088 1.00 35.04 H new ATOM 0 HD1 TYR A 38 2.628 5.700 7.189 1.00 44.21 H new ATOM 0 HD2 TYR A 38 -1.444 5.665 5.919 1.00 44.40 H new ATOM 0 HE1 TYR A 38 1.921 6.376 9.436 1.00 71.51 H new ATOM 0 HE2 TYR A 38 -2.148 6.358 8.169 1.00 5.32 H new ATOM 0 HH TYR A 38 -1.512 6.896 10.228 1.00 31.22 H new ATOM 638 N PHE A 39 0.173 7.035 2.176 1.00 50.34 N ATOM 639 CA PHE A 39 -0.863 7.782 1.459 1.00 11.31 C ATOM 640 C PHE A 39 -2.246 7.134 1.568 1.00 64.22 C ATOM 641 O PHE A 39 -2.429 6.107 2.225 1.00 70.24 O ATOM 642 CB PHE A 39 -0.471 7.938 -0.019 1.00 2.42 C ATOM 643 CG PHE A 39 0.268 9.215 -0.320 1.00 0.31 C ATOM 644 CD1 PHE A 39 1.650 9.291 -0.206 1.00 11.51 C ATOM 645 CD2 PHE A 39 -0.431 10.344 -0.714 1.00 3.35 C ATOM 646 CE1 PHE A 39 2.316 10.472 -0.483 1.00 61.42 C ATOM 647 CE2 PHE A 39 0.225 11.523 -0.990 1.00 60.10 C ATOM 648 CZ PHE A 39 1.602 11.590 -0.876 1.00 70.12 C ATOM 0 H PHE A 39 0.767 6.463 1.576 1.00 50.34 H new ATOM 0 HA PHE A 39 -0.933 8.762 1.931 1.00 11.31 H new ATOM 0 HB2 PHE A 39 0.151 7.092 -0.312 1.00 2.42 H new ATOM 0 HB3 PHE A 39 -1.372 7.898 -0.631 1.00 2.42 H new ATOM 0 HD1 PHE A 39 2.210 8.420 0.102 1.00 11.51 H new ATOM 0 HD2 PHE A 39 -1.506 10.299 -0.806 1.00 3.35 H new ATOM 0 HE1 PHE A 39 3.391 10.521 -0.393 1.00 61.42 H new ATOM 0 HE2 PHE A 39 -0.335 12.395 -1.295 1.00 60.10 H new ATOM 0 HZ PHE A 39 2.119 12.513 -1.093 1.00 70.12 H new ATOM 658 N GLU A 40 -3.217 7.768 0.918 1.00 72.34 N ATOM 659 CA GLU A 40 -4.602 7.295 0.913 1.00 5.35 C ATOM 660 C GLU A 40 -4.739 5.867 0.361 1.00 61.41 C ATOM 661 O GLU A 40 -4.237 5.545 -0.720 1.00 43.44 O ATOM 662 CB GLU A 40 -5.477 8.255 0.098 1.00 3.51 C ATOM 663 CG GLU A 40 -4.883 8.634 -1.254 1.00 71.45 C ATOM 664 CD GLU A 40 -5.819 9.494 -2.080 1.00 62.14 C ATOM 665 OE1 GLU A 40 -5.925 10.708 -1.798 1.00 61.50 O ATOM 666 OE2 GLU A 40 -6.452 8.964 -3.016 1.00 50.02 O ATOM 0 H GLU A 40 -3.069 8.622 0.380 1.00 72.34 H new ATOM 0 HA GLU A 40 -4.937 7.271 1.950 1.00 5.35 H new ATOM 0 HB2 GLU A 40 -6.453 7.796 -0.061 1.00 3.51 H new ATOM 0 HB3 GLU A 40 -5.642 9.163 0.679 1.00 3.51 H new ATOM 0 HG2 GLU A 40 -3.946 9.169 -1.098 1.00 71.45 H new ATOM 0 HG3 GLU A 40 -4.644 7.727 -1.809 1.00 71.45 H new ATOM 673 N PHE A 41 -5.430 5.021 1.118 1.00 64.31 N ATOM 674 CA PHE A 41 -5.712 3.647 0.697 1.00 61.43 C ATOM 675 C PHE A 41 -7.133 3.555 0.118 1.00 14.44 C ATOM 676 O PHE A 41 -8.099 3.975 0.760 1.00 55.24 O ATOM 677 CB PHE A 41 -5.562 2.686 1.887 1.00 30.41 C ATOM 678 CG PHE A 41 -4.237 2.806 2.595 1.00 32.32 C ATOM 679 CD1 PHE A 41 -3.113 2.159 2.106 1.00 74.31 C ATOM 680 CD2 PHE A 41 -4.115 3.574 3.745 1.00 24.02 C ATOM 681 CE1 PHE A 41 -1.896 2.271 2.748 1.00 44.33 C ATOM 682 CE2 PHE A 41 -2.899 3.688 4.392 1.00 21.23 C ATOM 683 CZ PHE A 41 -1.789 3.036 3.893 1.00 34.33 C ATOM 0 H PHE A 41 -5.809 5.262 2.034 1.00 64.31 H new ATOM 0 HA PHE A 41 -4.997 3.362 -0.075 1.00 61.43 H new ATOM 0 HB2 PHE A 41 -6.364 2.876 2.600 1.00 30.41 H new ATOM 0 HB3 PHE A 41 -5.685 1.662 1.534 1.00 30.41 H new ATOM 0 HD1 PHE A 41 -3.190 1.559 1.211 1.00 74.31 H new ATOM 0 HD2 PHE A 41 -4.980 4.088 4.138 1.00 24.02 H new ATOM 0 HE1 PHE A 41 -1.029 1.761 2.355 1.00 44.33 H new ATOM 0 HE2 PHE A 41 -2.817 4.287 5.287 1.00 21.23 H new ATOM 0 HZ PHE A 41 -0.838 3.124 4.397 1.00 34.33 H new ATOM 693 N PHE A 42 -7.258 3.023 -1.097 1.00 33.12 N ATOM 694 CA PHE A 42 -8.563 2.934 -1.765 1.00 3.41 C ATOM 695 C PHE A 42 -9.516 1.972 -1.033 1.00 22.14 C ATOM 696 O PHE A 42 -9.093 0.962 -0.465 1.00 61.53 O ATOM 697 CB PHE A 42 -8.396 2.502 -3.231 1.00 50.54 C ATOM 698 CG PHE A 42 -7.916 1.081 -3.412 1.00 1.34 C ATOM 699 CD1 PHE A 42 -6.566 0.772 -3.312 1.00 24.44 C ATOM 700 CD2 PHE A 42 -8.814 0.056 -3.685 1.00 11.11 C ATOM 701 CE1 PHE A 42 -6.124 -0.524 -3.480 1.00 73.21 C ATOM 702 CE2 PHE A 42 -8.375 -1.243 -3.854 1.00 23.40 C ATOM 703 CZ PHE A 42 -7.028 -1.532 -3.751 1.00 63.20 C ATOM 0 H PHE A 42 -6.479 2.648 -1.639 1.00 33.12 H new ATOM 0 HA PHE A 42 -9.008 3.929 -1.738 1.00 3.41 H new ATOM 0 HB2 PHE A 42 -9.352 2.618 -3.742 1.00 50.54 H new ATOM 0 HB3 PHE A 42 -7.691 3.176 -3.718 1.00 50.54 H new ATOM 0 HD1 PHE A 42 -5.854 1.556 -3.100 1.00 24.44 H new ATOM 0 HD2 PHE A 42 -9.868 0.278 -3.766 1.00 11.11 H new ATOM 0 HE1 PHE A 42 -5.071 -0.750 -3.400 1.00 73.21 H new ATOM 0 HE2 PHE A 42 -9.083 -2.030 -4.066 1.00 23.40 H new ATOM 0 HZ PHE A 42 -6.682 -2.547 -3.882 1.00 63.20 H new ATOM 713 N ALA A 43 -10.804 2.297 -1.048 1.00 13.12 N ATOM 714 CA ALA A 43 -11.823 1.455 -0.417 1.00 22.34 C ATOM 715 C ALA A 43 -12.734 0.799 -1.467 1.00 34.22 C ATOM 716 O ALA A 43 -13.740 1.377 -1.884 1.00 75.34 O ATOM 717 CB ALA A 43 -12.643 2.274 0.575 1.00 32.51 C ATOM 0 H ALA A 43 -11.171 3.139 -1.491 1.00 13.12 H new ATOM 0 HA ALA A 43 -11.316 0.656 0.124 1.00 22.34 H new ATOM 0 HB1 ALA A 43 -13.397 1.637 1.037 1.00 32.51 H new ATOM 0 HB2 ALA A 43 -11.986 2.676 1.346 1.00 32.51 H new ATOM 0 HB3 ALA A 43 -13.133 3.095 0.052 1.00 32.51 H new ATOM 723 N ALA A 44 -12.354 -0.395 -1.911 1.00 11.13 N ATOM 724 CA ALA A 44 -13.143 -1.152 -2.888 1.00 12.34 C ATOM 725 C ALA A 44 -13.418 -2.572 -2.384 1.00 23.21 C ATOM 726 O ALA A 44 -12.610 -3.485 -2.576 1.00 4.12 O ATOM 727 CB ALA A 44 -12.429 -1.181 -4.236 1.00 1.31 C ATOM 0 H ALA A 44 -11.500 -0.865 -1.610 1.00 11.13 H new ATOM 0 HA ALA A 44 -14.103 -0.653 -3.018 1.00 12.34 H new ATOM 0 HB1 ALA A 44 -13.026 -1.746 -4.952 1.00 1.31 H new ATOM 0 HB2 ALA A 44 -12.296 -0.162 -4.599 1.00 1.31 H new ATOM 0 HB3 ALA A 44 -11.454 -1.656 -4.121 1.00 1.31 H new ATOM 733 N ASP A 45 -14.561 -2.741 -1.723 1.00 42.41 N ATOM 734 CA ASP A 45 -14.919 -4.012 -1.092 1.00 61.00 C ATOM 735 C ASP A 45 -15.258 -5.103 -2.127 1.00 62.15 C ATOM 736 O ASP A 45 -15.760 -4.817 -3.220 1.00 35.12 O ATOM 737 CB ASP A 45 -16.096 -3.801 -0.136 1.00 41.25 C ATOM 738 CG ASP A 45 -15.864 -2.632 0.808 1.00 73.54 C ATOM 739 OD1 ASP A 45 -15.236 -2.830 1.867 1.00 24.42 O ATOM 740 OD2 ASP A 45 -16.304 -1.504 0.484 1.00 12.43 O ATOM 0 H ASP A 45 -15.261 -2.008 -1.609 1.00 42.41 H new ATOM 0 HA ASP A 45 -14.050 -4.361 -0.534 1.00 61.00 H new ATOM 0 HB2 ASP A 45 -17.004 -3.626 -0.713 1.00 41.25 H new ATOM 0 HB3 ASP A 45 -16.258 -4.709 0.445 1.00 41.25 H new ATOM 745 N LEU A 46 -14.980 -6.351 -1.760 1.00 3.23 N ATOM 746 CA LEU A 46 -15.200 -7.504 -2.638 1.00 65.23 C ATOM 747 C LEU A 46 -16.656 -7.581 -3.123 1.00 65.32 C ATOM 748 O LEU A 46 -17.590 -7.746 -2.339 1.00 15.53 O ATOM 749 CB LEU A 46 -14.784 -8.819 -1.937 1.00 53.15 C ATOM 750 CG LEU A 46 -15.620 -9.255 -0.710 1.00 53.23 C ATOM 751 CD1 LEU A 46 -15.207 -10.652 -0.256 1.00 75.34 C ATOM 752 CD2 LEU A 46 -15.487 -8.263 0.447 1.00 72.31 C ATOM 0 H LEU A 46 -14.596 -6.595 -0.847 1.00 3.23 H new ATOM 0 HA LEU A 46 -14.569 -7.369 -3.517 1.00 65.23 H new ATOM 0 HB2 LEU A 46 -14.819 -9.622 -2.674 1.00 53.15 H new ATOM 0 HB3 LEU A 46 -13.745 -8.721 -1.622 1.00 53.15 H new ATOM 0 HG LEU A 46 -16.667 -9.272 -1.014 1.00 53.23 H new ATOM 0 HD11 LEU A 46 -15.804 -10.945 0.608 1.00 75.34 H new ATOM 0 HD12 LEU A 46 -15.370 -11.361 -1.067 1.00 75.34 H new ATOM 0 HD13 LEU A 46 -14.152 -10.649 0.016 1.00 75.34 H new ATOM 0 HD21 LEU A 46 -16.088 -8.604 1.290 1.00 72.31 H new ATOM 0 HD22 LEU A 46 -14.442 -8.196 0.750 1.00 72.31 H new ATOM 0 HD23 LEU A 46 -15.835 -7.281 0.126 1.00 72.31 H new ATOM 866 N TYR A 53 -10.439 0.012 -10.779 1.00 14.34 N ATOM 867 CA TYR A 53 -9.040 0.253 -11.164 1.00 23.42 C ATOM 868 C TYR A 53 -8.380 1.220 -10.165 1.00 44.53 C ATOM 869 O TYR A 53 -8.576 2.435 -10.251 1.00 51.51 O ATOM 870 CB TYR A 53 -8.967 0.864 -12.577 1.00 3.15 C ATOM 871 CG TYR A 53 -10.040 0.368 -13.529 1.00 30.11 C ATOM 872 CD1 TYR A 53 -11.289 0.980 -13.567 1.00 33.34 C ATOM 873 CD2 TYR A 53 -9.807 -0.697 -14.392 1.00 75.45 C ATOM 874 CE1 TYR A 53 -12.272 0.547 -14.430 1.00 11.04 C ATOM 875 CE2 TYR A 53 -10.789 -1.134 -15.264 1.00 3.24 C ATOM 876 CZ TYR A 53 -12.019 -0.507 -15.277 1.00 2.44 C ATOM 877 OH TYR A 53 -13.002 -0.934 -16.143 1.00 11.33 O ATOM 0 HA TYR A 53 -8.514 -0.701 -11.157 1.00 23.42 H new ATOM 0 HB2 TYR A 53 -9.043 1.948 -12.495 1.00 3.15 H new ATOM 0 HB3 TYR A 53 -7.989 0.645 -13.005 1.00 3.15 H new ATOM 0 HD1 TYR A 53 -11.492 1.811 -12.907 1.00 33.34 H new ATOM 0 HD2 TYR A 53 -8.846 -1.190 -14.382 1.00 75.45 H new ATOM 0 HE1 TYR A 53 -13.237 1.033 -14.441 1.00 11.04 H new ATOM 0 HE2 TYR A 53 -10.594 -1.961 -15.931 1.00 3.24 H new ATOM 0 HH TYR A 53 -12.666 -1.686 -16.674 1.00 11.33 H new ATOM 887 N SER A 54 -7.608 0.695 -9.215 1.00 1.41 N ATOM 888 CA SER A 54 -7.015 1.536 -8.159 1.00 74.23 C ATOM 889 C SER A 54 -5.747 0.911 -7.563 1.00 31.03 C ATOM 890 O SER A 54 -5.402 -0.236 -7.855 1.00 20.00 O ATOM 891 CB SER A 54 -8.038 1.788 -7.036 1.00 32.52 C ATOM 892 OG SER A 54 -9.180 2.489 -7.511 1.00 72.50 O ATOM 0 H SER A 54 -7.376 -0.296 -9.148 1.00 1.41 H new ATOM 0 HA SER A 54 -6.736 2.481 -8.625 1.00 74.23 H new ATOM 0 HB2 SER A 54 -8.349 0.836 -6.607 1.00 32.52 H new ATOM 0 HB3 SER A 54 -7.567 2.360 -6.236 1.00 32.52 H new ATOM 0 HG SER A 54 -9.808 2.630 -6.772 1.00 72.50 H new ATOM 898 N ARG A 55 -5.052 1.693 -6.736 1.00 53.04 N ATOM 899 CA ARG A 55 -3.862 1.230 -6.011 1.00 62.25 C ATOM 900 C ARG A 55 -3.519 2.196 -4.864 1.00 13.32 C ATOM 901 O ARG A 55 -4.046 3.310 -4.801 1.00 52.23 O ATOM 902 CB ARG A 55 -2.645 1.081 -6.950 1.00 55.33 C ATOM 903 CG ARG A 55 -2.106 2.398 -7.517 1.00 60.40 C ATOM 904 CD ARG A 55 -3.029 3.003 -8.570 1.00 44.14 C ATOM 905 NE ARG A 55 -2.539 4.294 -9.051 1.00 24.44 N ATOM 906 CZ ARG A 55 -2.784 4.782 -10.235 1.00 10.12 C ATOM 907 NH1 ARG A 55 -3.453 4.098 -11.110 1.00 13.13 N ATOM 908 NH2 ARG A 55 -2.345 5.957 -10.544 1.00 22.31 N ATOM 0 H ARG A 55 -5.296 2.665 -6.548 1.00 53.04 H new ATOM 0 HA ARG A 55 -4.095 0.248 -5.598 1.00 62.25 H new ATOM 0 HB2 ARG A 55 -1.844 0.581 -6.406 1.00 55.33 H new ATOM 0 HB3 ARG A 55 -2.922 0.431 -7.780 1.00 55.33 H new ATOM 0 HG2 ARG A 55 -1.971 3.111 -6.704 1.00 60.40 H new ATOM 0 HG3 ARG A 55 -1.123 2.225 -7.956 1.00 60.40 H new ATOM 0 HD2 ARG A 55 -3.121 2.314 -9.410 1.00 44.14 H new ATOM 0 HD3 ARG A 55 -4.027 3.128 -8.149 1.00 44.14 H new ATOM 0 HE ARG A 55 -1.966 4.851 -8.417 1.00 24.44 H new ATOM 0 HH11 ARG A 55 -3.795 3.166 -10.876 1.00 13.13 H new ATOM 0 HH12 ARG A 55 -3.638 4.492 -12.033 1.00 13.13 H new ATOM 0 HH21 ARG A 55 -1.810 6.497 -9.864 1.00 22.31 H new ATOM 0 HH22 ARG A 55 -2.533 6.345 -11.468 1.00 22.31 H new ATOM 922 N ALA A 56 -2.644 1.767 -3.964 1.00 71.12 N ATOM 923 CA ALA A 56 -2.227 2.601 -2.831 1.00 63.03 C ATOM 924 C ALA A 56 -0.808 3.150 -3.034 1.00 22.31 C ATOM 925 O ALA A 56 0.000 2.562 -3.750 1.00 21.34 O ATOM 926 CB ALA A 56 -2.310 1.804 -1.533 1.00 73.23 C ATOM 0 H ALA A 56 -2.206 0.846 -3.992 1.00 71.12 H new ATOM 0 HA ALA A 56 -2.906 3.451 -2.769 1.00 63.03 H new ATOM 0 HB1 ALA A 56 -1.998 2.433 -0.699 1.00 73.23 H new ATOM 0 HB2 ALA A 56 -3.336 1.473 -1.374 1.00 73.23 H new ATOM 0 HB3 ALA A 56 -1.655 0.935 -1.597 1.00 73.23 H new ATOM 932 N TYR A 57 -0.512 4.285 -2.406 1.00 42.24 N ATOM 933 CA TYR A 57 0.818 4.896 -2.507 1.00 31.11 C ATOM 934 C TYR A 57 1.521 4.949 -1.141 1.00 14.45 C ATOM 935 O TYR A 57 0.902 5.231 -0.115 1.00 31.01 O ATOM 936 CB TYR A 57 0.721 6.303 -3.120 1.00 32.21 C ATOM 937 CG TYR A 57 0.405 6.298 -4.607 1.00 4.41 C ATOM 938 CD1 TYR A 57 -0.887 6.065 -5.069 1.00 62.45 C ATOM 939 CD2 TYR A 57 1.406 6.515 -5.551 1.00 62.14 C ATOM 940 CE1 TYR A 57 -1.169 6.047 -6.422 1.00 73.41 C ATOM 941 CE2 TYR A 57 1.129 6.501 -6.905 1.00 33.15 C ATOM 942 CZ TYR A 57 -0.158 6.264 -7.335 1.00 11.31 C ATOM 943 OH TYR A 57 -0.438 6.245 -8.686 1.00 52.20 O ATOM 0 H TYR A 57 -1.170 4.802 -1.823 1.00 42.24 H new ATOM 0 HA TYR A 57 1.421 4.269 -3.164 1.00 31.11 H new ATOM 0 HB2 TYR A 57 -0.050 6.867 -2.595 1.00 32.21 H new ATOM 0 HB3 TYR A 57 1.664 6.826 -2.959 1.00 32.21 H new ATOM 0 HD1 TYR A 57 -1.682 5.895 -4.358 1.00 62.45 H new ATOM 0 HD2 TYR A 57 2.417 6.698 -5.219 1.00 62.14 H new ATOM 0 HE1 TYR A 57 -2.177 5.864 -6.763 1.00 73.41 H new ATOM 0 HE2 TYR A 57 1.918 6.675 -7.622 1.00 33.15 H new ATOM 0 HH TYR A 57 0.383 6.416 -9.193 1.00 52.20 H new ATOM 953 N ILE A 58 2.818 4.665 -1.141 1.00 61.13 N ATOM 954 CA ILE A 58 3.625 4.676 0.081 1.00 13.33 C ATOM 955 C ILE A 58 4.826 5.625 -0.069 1.00 33.31 C ATOM 956 O ILE A 58 5.406 5.738 -1.149 1.00 44.13 O ATOM 957 CB ILE A 58 4.141 3.251 0.417 1.00 5.21 C ATOM 958 CG1 ILE A 58 2.979 2.239 0.435 1.00 4.34 C ATOM 959 CG2 ILE A 58 4.874 3.249 1.757 1.00 72.32 C ATOM 960 CD1 ILE A 58 3.417 0.798 0.614 1.00 63.51 C ATOM 0 H ILE A 58 3.341 4.421 -1.982 1.00 61.13 H new ATOM 0 HA ILE A 58 2.987 5.026 0.893 1.00 13.33 H new ATOM 0 HB ILE A 58 4.843 2.950 -0.361 1.00 5.21 H new ATOM 0 HG12 ILE A 58 2.294 2.502 1.241 1.00 4.34 H new ATOM 0 HG13 ILE A 58 2.422 2.325 -0.498 1.00 4.34 H new ATOM 0 HG21 ILE A 58 5.229 2.242 1.976 1.00 72.32 H new ATOM 0 HG22 ILE A 58 5.723 3.930 1.708 1.00 72.32 H new ATOM 0 HG23 ILE A 58 4.194 3.573 2.544 1.00 72.32 H new ATOM 0 HD11 ILE A 58 2.541 0.149 0.616 1.00 63.51 H new ATOM 0 HD12 ILE A 58 4.077 0.514 -0.205 1.00 63.51 H new ATOM 0 HD13 ILE A 58 3.948 0.694 1.560 1.00 63.51 H new ATOM 972 N ASN A 59 5.188 6.318 1.010 1.00 45.53 N ATOM 973 CA ASN A 59 6.341 7.225 0.990 1.00 12.52 C ATOM 974 C ASN A 59 7.370 6.844 2.068 1.00 55.13 C ATOM 975 O ASN A 59 7.124 6.999 3.268 1.00 13.02 O ATOM 976 CB ASN A 59 5.886 8.675 1.188 1.00 14.35 C ATOM 977 CG ASN A 59 7.031 9.661 1.045 1.00 44.44 C ATOM 978 OD1 ASN A 59 7.974 9.432 0.297 1.00 34.42 O ATOM 979 ND2 ASN A 59 6.965 10.762 1.764 1.00 24.23 N ATOM 0 H ASN A 59 4.704 6.271 1.906 1.00 45.53 H new ATOM 0 HA ASN A 59 6.819 7.132 0.015 1.00 12.52 H new ATOM 0 HB2 ASN A 59 5.111 8.913 0.460 1.00 14.35 H new ATOM 0 HB3 ASN A 59 5.438 8.782 2.176 1.00 14.35 H new ATOM 0 HD21 ASN A 59 7.713 11.454 1.707 1.00 24.23 H new ATOM 0 HD22 ASN A 59 6.166 10.923 2.377 1.00 24.23 H new ATOM 986 N PHE A 60 8.521 6.342 1.630 1.00 4.22 N ATOM 987 CA PHE A 60 9.612 5.980 2.539 1.00 60.52 C ATOM 988 C PHE A 60 10.364 7.224 3.027 1.00 42.03 C ATOM 989 O PHE A 60 10.551 8.184 2.282 1.00 32.31 O ATOM 990 CB PHE A 60 10.589 5.019 1.850 1.00 42.12 C ATOM 991 CG PHE A 60 10.083 3.602 1.748 1.00 22.22 C ATOM 992 CD1 PHE A 60 8.969 3.295 0.978 1.00 41.51 C ATOM 993 CD2 PHE A 60 10.720 2.577 2.431 1.00 51.40 C ATOM 994 CE1 PHE A 60 8.506 1.996 0.891 1.00 52.21 C ATOM 995 CE2 PHE A 60 10.262 1.278 2.345 1.00 72.42 C ATOM 996 CZ PHE A 60 9.154 0.987 1.575 1.00 3.32 C ATOM 0 H PHE A 60 8.726 6.175 0.645 1.00 4.22 H new ATOM 0 HA PHE A 60 9.171 5.483 3.403 1.00 60.52 H new ATOM 0 HB2 PHE A 60 10.803 5.391 0.848 1.00 42.12 H new ATOM 0 HB3 PHE A 60 11.531 5.019 2.398 1.00 42.12 H new ATOM 0 HD1 PHE A 60 8.458 4.081 0.441 1.00 41.51 H new ATOM 0 HD2 PHE A 60 11.586 2.798 3.038 1.00 51.40 H new ATOM 0 HE1 PHE A 60 7.638 1.770 0.289 1.00 52.21 H new ATOM 0 HE2 PHE A 60 10.770 0.489 2.880 1.00 72.42 H new ATOM 0 HZ PHE A 60 8.794 -0.029 1.508 1.00 3.32 H new ATOM 1006 N ARG A 61 10.799 7.188 4.283 1.00 44.20 N ATOM 1007 CA ARG A 61 11.541 8.301 4.888 1.00 20.54 C ATOM 1008 C ARG A 61 12.951 7.861 5.315 1.00 55.53 C ATOM 1009 O ARG A 61 13.633 8.561 6.065 1.00 65.52 O ATOM 1010 CB ARG A 61 10.767 8.848 6.096 1.00 43.41 C ATOM 1011 CG ARG A 61 9.420 9.469 5.733 1.00 3.40 C ATOM 1012 CD ARG A 61 9.579 10.758 4.929 1.00 32.44 C ATOM 1013 NE ARG A 61 10.219 11.817 5.710 1.00 51.42 N ATOM 1014 CZ ARG A 61 9.566 12.697 6.423 1.00 63.32 C ATOM 1015 NH1 ARG A 61 8.274 12.678 6.466 1.00 51.35 N ATOM 1016 NH2 ARG A 61 10.208 13.597 7.091 1.00 71.04 N ATOM 0 H ARG A 61 10.651 6.396 4.909 1.00 44.20 H new ATOM 0 HA ARG A 61 11.647 9.088 4.142 1.00 20.54 H new ATOM 0 HB2 ARG A 61 10.604 8.039 6.808 1.00 43.41 H new ATOM 0 HB3 ARG A 61 11.379 9.597 6.599 1.00 43.41 H new ATOM 0 HG2 ARG A 61 8.835 8.753 5.156 1.00 3.40 H new ATOM 0 HG3 ARG A 61 8.860 9.678 6.645 1.00 3.40 H new ATOM 0 HD2 ARG A 61 10.172 10.558 4.036 1.00 32.44 H new ATOM 0 HD3 ARG A 61 8.600 11.098 4.592 1.00 32.44 H new ATOM 0 HE ARG A 61 11.237 11.872 5.697 1.00 51.42 H new ATOM 0 HH11 ARG A 61 7.757 11.973 5.941 1.00 51.35 H new ATOM 0 HH12 ARG A 61 7.772 13.368 7.025 1.00 51.35 H new ATOM 0 HH21 ARG A 61 11.227 13.623 7.063 1.00 71.04 H new ATOM 0 HH22 ARG A 61 9.696 14.282 7.646 1.00 71.04 H new ATOM 1030 N ASN A 62 13.385 6.702 4.820 1.00 52.22 N ATOM 1031 CA ASN A 62 14.705 6.162 5.158 1.00 54.12 C ATOM 1032 C ASN A 62 15.196 5.178 4.075 1.00 43.34 C ATOM 1033 O ASN A 62 14.527 4.187 3.787 1.00 44.12 O ATOM 1034 CB ASN A 62 14.640 5.446 6.514 1.00 51.44 C ATOM 1035 CG ASN A 62 16.012 5.104 7.063 1.00 2.14 C ATOM 1036 OD1 ASN A 62 16.980 5.823 6.844 1.00 75.55 O ATOM 1037 ND2 ASN A 62 16.113 4.000 7.774 1.00 25.23 N ATOM 0 H ASN A 62 12.843 6.118 4.183 1.00 52.22 H new ATOM 0 HA ASN A 62 15.410 6.992 5.213 1.00 54.12 H new ATOM 0 HB2 ASN A 62 14.115 6.079 7.229 1.00 51.44 H new ATOM 0 HB3 ASN A 62 14.057 4.531 6.409 1.00 51.44 H new ATOM 0 HD21 ASN A 62 17.016 3.723 8.160 1.00 25.23 H new ATOM 0 HD22 ASN A 62 15.289 3.422 7.939 1.00 25.23 H new ATOM 1044 N PRO A 63 16.374 5.432 3.460 1.00 31.30 N ATOM 1045 CA PRO A 63 16.948 4.528 2.440 1.00 65.12 C ATOM 1046 C PRO A 63 17.194 3.102 2.976 1.00 33.14 C ATOM 1047 O PRO A 63 17.057 2.120 2.243 1.00 3.42 O ATOM 1048 CB PRO A 63 18.279 5.205 2.056 1.00 43.14 C ATOM 1049 CG PRO A 63 18.574 6.148 3.176 1.00 3.01 C ATOM 1050 CD PRO A 63 17.237 6.604 3.698 1.00 5.11 C ATOM 0 HA PRO A 63 16.270 4.393 1.598 1.00 65.12 H new ATOM 0 HB2 PRO A 63 19.076 4.470 1.939 1.00 43.14 H new ATOM 0 HB3 PRO A 63 18.192 5.735 1.107 1.00 43.14 H new ATOM 0 HG2 PRO A 63 19.151 5.656 3.959 1.00 3.01 H new ATOM 0 HG3 PRO A 63 19.166 6.994 2.828 1.00 3.01 H new ATOM 0 HD2 PRO A 63 17.283 6.864 4.756 1.00 5.11 H new ATOM 0 HD3 PRO A 63 16.876 7.486 3.169 1.00 5.11 H new ATOM 1058 N ASP A 64 17.555 3.000 4.259 1.00 3.54 N ATOM 1059 CA ASP A 64 17.761 1.699 4.911 1.00 64.45 C ATOM 1060 C ASP A 64 16.454 0.882 4.953 1.00 33.13 C ATOM 1061 O ASP A 64 16.476 -0.349 4.878 1.00 73.42 O ATOM 1062 CB ASP A 64 18.302 1.906 6.331 1.00 2.43 C ATOM 1063 CG ASP A 64 19.570 2.740 6.341 1.00 41.21 C ATOM 1064 OD1 ASP A 64 19.468 3.984 6.350 1.00 32.45 O ATOM 1065 OD2 ASP A 64 20.675 2.159 6.331 1.00 31.54 O ATOM 0 H ASP A 64 17.711 3.803 4.869 1.00 3.54 H new ATOM 0 HA ASP A 64 18.489 1.137 4.327 1.00 64.45 H new ATOM 0 HB2 ASP A 64 17.542 2.395 6.941 1.00 2.43 H new ATOM 0 HB3 ASP A 64 18.502 0.937 6.787 1.00 2.43 H new ATOM 1070 N ASP A 65 15.323 1.579 5.075 1.00 60.03 N ATOM 1071 CA ASP A 65 14.004 0.935 5.056 1.00 64.21 C ATOM 1072 C ASP A 65 13.624 0.485 3.637 1.00 65.44 C ATOM 1073 O ASP A 65 12.944 -0.524 3.457 1.00 34.00 O ATOM 1074 CB ASP A 65 12.926 1.887 5.599 1.00 44.54 C ATOM 1075 CG ASP A 65 13.108 2.244 7.065 1.00 4.24 C ATOM 1076 OD1 ASP A 65 14.155 1.900 7.656 1.00 75.31 O ATOM 1077 OD2 ASP A 65 12.203 2.889 7.636 1.00 5.41 O ATOM 0 H ASP A 65 15.292 2.592 5.188 1.00 60.03 H new ATOM 0 HA ASP A 65 14.062 0.055 5.697 1.00 64.21 H new ATOM 0 HB2 ASP A 65 12.932 2.803 5.008 1.00 44.54 H new ATOM 0 HB3 ASP A 65 11.947 1.427 5.465 1.00 44.54 H new ATOM 1082 N ILE A 66 14.071 1.244 2.633 1.00 71.12 N ATOM 1083 CA ILE A 66 13.768 0.935 1.229 1.00 32.51 C ATOM 1084 C ILE A 66 14.267 -0.467 0.837 1.00 32.21 C ATOM 1085 O ILE A 66 13.468 -1.349 0.514 1.00 22.44 O ATOM 1086 CB ILE A 66 14.377 1.992 0.268 1.00 50.32 C ATOM 1087 CG1 ILE A 66 13.760 3.378 0.540 1.00 35.24 C ATOM 1088 CG2 ILE A 66 14.175 1.581 -1.195 1.00 61.13 C ATOM 1089 CD1 ILE A 66 14.288 4.481 -0.357 1.00 74.11 C ATOM 0 H ILE A 66 14.644 2.077 2.764 1.00 71.12 H new ATOM 0 HA ILE A 66 12.683 0.959 1.132 1.00 32.51 H new ATOM 0 HB ILE A 66 15.450 2.049 0.453 1.00 50.32 H new ATOM 0 HG12 ILE A 66 12.679 3.312 0.418 1.00 35.24 H new ATOM 0 HG13 ILE A 66 13.948 3.649 1.579 1.00 35.24 H new ATOM 0 HG21 ILE A 66 14.610 2.337 -1.849 1.00 61.13 H new ATOM 0 HG22 ILE A 66 14.662 0.623 -1.374 1.00 61.13 H new ATOM 0 HG23 ILE A 66 13.109 1.491 -1.404 1.00 61.13 H new ATOM 0 HD11 ILE A 66 13.803 5.423 -0.100 1.00 74.11 H new ATOM 0 HD12 ILE A 66 15.365 4.578 -0.219 1.00 74.11 H new ATOM 0 HD13 ILE A 66 14.076 4.236 -1.398 1.00 74.11 H new ATOM 1101 N LEU A 67 15.585 -0.674 0.888 1.00 60.23 N ATOM 1102 CA LEU A 67 16.178 -1.973 0.530 1.00 32.21 C ATOM 1103 C LEU A 67 15.647 -3.108 1.424 1.00 31.33 C ATOM 1104 O LEU A 67 15.638 -4.275 1.028 1.00 64.13 O ATOM 1105 CB LEU A 67 17.720 -1.892 0.582 1.00 31.13 C ATOM 1106 CG LEU A 67 18.345 -1.351 1.891 1.00 51.34 C ATOM 1107 CD1 LEU A 67 18.375 -2.419 2.983 1.00 74.41 C ATOM 1108 CD2 LEU A 67 19.750 -0.810 1.631 1.00 52.44 C ATOM 0 H LEU A 67 16.262 0.034 1.172 1.00 60.23 H new ATOM 0 HA LEU A 67 15.880 -2.208 -0.492 1.00 32.21 H new ATOM 0 HB2 LEU A 67 18.119 -2.890 0.402 1.00 31.13 H new ATOM 0 HB3 LEU A 67 18.055 -1.261 -0.241 1.00 31.13 H new ATOM 0 HG LEU A 67 17.715 -0.535 2.245 1.00 51.34 H new ATOM 0 HD11 LEU A 67 18.820 -2.003 3.887 1.00 74.41 H new ATOM 0 HD12 LEU A 67 17.358 -2.748 3.198 1.00 74.41 H new ATOM 0 HD13 LEU A 67 18.968 -3.269 2.645 1.00 74.41 H new ATOM 0 HD21 LEU A 67 20.173 -0.434 2.562 1.00 52.44 H new ATOM 0 HD22 LEU A 67 20.381 -1.609 1.242 1.00 52.44 H new ATOM 0 HD23 LEU A 67 19.699 -0.000 0.903 1.00 52.44 H new ATOM 1120 N LEU A 68 15.200 -2.752 2.627 1.00 64.25 N ATOM 1121 CA LEU A 68 14.634 -3.716 3.574 1.00 50.11 C ATOM 1122 C LEU A 68 13.217 -4.161 3.162 1.00 42.11 C ATOM 1123 O LEU A 68 13.009 -5.298 2.729 1.00 24.33 O ATOM 1124 CB LEU A 68 14.602 -3.106 4.984 1.00 55.03 C ATOM 1125 CG LEU A 68 13.817 -3.906 6.038 1.00 21.23 C ATOM 1126 CD1 LEU A 68 14.402 -5.303 6.219 1.00 13.01 C ATOM 1127 CD2 LEU A 68 13.785 -3.161 7.368 1.00 4.21 C ATOM 0 H LEU A 68 15.219 -1.793 2.973 1.00 64.25 H new ATOM 0 HA LEU A 68 15.273 -4.599 3.569 1.00 50.11 H new ATOM 0 HB2 LEU A 68 15.628 -2.989 5.333 1.00 55.03 H new ATOM 0 HB3 LEU A 68 14.172 -2.107 4.918 1.00 55.03 H new ATOM 0 HG LEU A 68 12.793 -4.015 5.679 1.00 21.23 H new ATOM 0 HD11 LEU A 68 13.826 -5.844 6.970 1.00 13.01 H new ATOM 0 HD12 LEU A 68 14.359 -5.841 5.272 1.00 13.01 H new ATOM 0 HD13 LEU A 68 15.439 -5.224 6.545 1.00 13.01 H new ATOM 0 HD21 LEU A 68 13.225 -3.745 8.099 1.00 4.21 H new ATOM 0 HD22 LEU A 68 14.804 -3.012 7.726 1.00 4.21 H new ATOM 0 HD23 LEU A 68 13.304 -2.193 7.231 1.00 4.21 H new ATOM 1139 N PHE A 69 12.253 -3.253 3.287 1.00 41.32 N ATOM 1140 CA PHE A 69 10.840 -3.581 3.078 1.00 63.00 C ATOM 1141 C PHE A 69 10.510 -3.903 1.613 1.00 61.33 C ATOM 1142 O PHE A 69 9.719 -4.807 1.342 1.00 45.24 O ATOM 1143 CB PHE A 69 9.953 -2.444 3.597 1.00 12.11 C ATOM 1144 CG PHE A 69 9.827 -2.440 5.100 1.00 4.42 C ATOM 1145 CD1 PHE A 69 8.895 -3.259 5.718 1.00 12.11 C ATOM 1146 CD2 PHE A 69 10.638 -1.638 5.894 1.00 64.15 C ATOM 1147 CE1 PHE A 69 8.769 -3.282 7.091 1.00 45.32 C ATOM 1148 CE2 PHE A 69 10.518 -1.658 7.272 1.00 34.13 C ATOM 1149 CZ PHE A 69 9.581 -2.481 7.871 1.00 20.54 C ATOM 0 H PHE A 69 12.423 -2.278 3.533 1.00 41.32 H new ATOM 0 HA PHE A 69 10.635 -4.489 3.646 1.00 63.00 H new ATOM 0 HB2 PHE A 69 10.365 -1.490 3.269 1.00 12.11 H new ATOM 0 HB3 PHE A 69 8.961 -2.532 3.154 1.00 12.11 H new ATOM 0 HD1 PHE A 69 8.258 -3.889 5.115 1.00 12.11 H new ATOM 0 HD2 PHE A 69 11.369 -0.993 5.430 1.00 64.15 H new ATOM 0 HE1 PHE A 69 8.037 -3.925 7.556 1.00 45.32 H new ATOM 0 HE2 PHE A 69 11.155 -1.032 7.879 1.00 34.13 H new ATOM 0 HZ PHE A 69 9.484 -2.497 8.947 1.00 20.54 H new ATOM 1159 N ARG A 70 11.119 -3.183 0.673 1.00 51.23 N ATOM 1160 CA ARG A 70 10.861 -3.418 -0.755 1.00 40.12 C ATOM 1161 C ARG A 70 11.091 -4.894 -1.116 1.00 63.13 C ATOM 1162 O ARG A 70 10.238 -5.531 -1.728 1.00 0.14 O ATOM 1163 CB ARG A 70 11.745 -2.494 -1.624 1.00 50.51 C ATOM 1164 CG ARG A 70 11.542 -2.638 -3.140 1.00 72.32 C ATOM 1165 CD ARG A 70 12.391 -3.758 -3.743 1.00 10.24 C ATOM 1166 NE ARG A 70 12.026 -4.044 -5.130 1.00 14.23 N ATOM 1167 CZ ARG A 70 12.405 -5.109 -5.780 1.00 13.10 C ATOM 1168 NH1 ARG A 70 13.268 -5.927 -5.263 1.00 72.25 N ATOM 1169 NH2 ARG A 70 11.955 -5.326 -6.973 1.00 44.15 N ATOM 0 H ARG A 70 11.789 -2.438 0.866 1.00 51.23 H new ATOM 0 HA ARG A 70 9.816 -3.182 -0.958 1.00 40.12 H new ATOM 0 HB2 ARG A 70 11.549 -1.459 -1.343 1.00 50.51 H new ATOM 0 HB3 ARG A 70 12.791 -2.694 -1.392 1.00 50.51 H new ATOM 0 HG2 ARG A 70 10.490 -2.834 -3.345 1.00 72.32 H new ATOM 0 HG3 ARG A 70 11.791 -1.695 -3.627 1.00 72.32 H new ATOM 0 HD2 ARG A 70 13.444 -3.479 -3.697 1.00 10.24 H new ATOM 0 HD3 ARG A 70 12.274 -4.662 -3.145 1.00 10.24 H new ATOM 0 HE ARG A 70 11.439 -3.369 -5.619 1.00 14.23 H new ATOM 0 HH11 ARG A 70 13.658 -5.740 -4.339 1.00 72.25 H new ATOM 0 HH12 ARG A 70 13.557 -6.757 -5.780 1.00 72.25 H new ATOM 0 HH21 ARG A 70 11.307 -4.665 -7.401 1.00 44.15 H new ATOM 0 HH22 ARG A 70 12.249 -6.158 -7.485 1.00 44.15 H new ATOM 1183 N ASP A 71 12.237 -5.435 -0.714 1.00 1.41 N ATOM 1184 CA ASP A 71 12.614 -6.805 -1.075 1.00 12.01 C ATOM 1185 C ASP A 71 11.700 -7.858 -0.405 1.00 61.52 C ATOM 1186 O ASP A 71 11.290 -8.832 -1.041 1.00 14.12 O ATOM 1187 CB ASP A 71 14.079 -7.052 -0.701 1.00 34.14 C ATOM 1188 CG ASP A 71 14.614 -8.352 -1.276 1.00 12.20 C ATOM 1189 OD1 ASP A 71 14.953 -8.376 -2.480 1.00 2.52 O ATOM 1190 OD2 ASP A 71 14.685 -9.356 -0.536 1.00 63.20 O ATOM 0 H ASP A 71 12.924 -4.948 -0.138 1.00 1.41 H new ATOM 0 HA ASP A 71 12.488 -6.913 -2.152 1.00 12.01 H new ATOM 0 HB2 ASP A 71 14.687 -6.222 -1.060 1.00 34.14 H new ATOM 0 HB3 ASP A 71 14.175 -7.072 0.385 1.00 34.14 H new ATOM 1195 N ARG A 72 11.373 -7.649 0.873 1.00 72.34 N ATOM 1196 CA ARG A 72 10.572 -8.621 1.640 1.00 3.41 C ATOM 1197 C ARG A 72 9.057 -8.454 1.416 1.00 21.35 C ATOM 1198 O ARG A 72 8.254 -9.178 2.007 1.00 73.31 O ATOM 1199 CB ARG A 72 10.897 -8.509 3.138 1.00 61.03 C ATOM 1200 CG ARG A 72 10.597 -7.141 3.742 1.00 33.04 C ATOM 1201 CD ARG A 72 10.967 -7.074 5.223 1.00 43.44 C ATOM 1202 NE ARG A 72 10.162 -7.980 6.037 1.00 52.20 N ATOM 1203 CZ ARG A 72 10.450 -8.315 7.267 1.00 13.30 C ATOM 1204 NH1 ARG A 72 11.524 -7.866 7.844 1.00 33.24 N ATOM 1205 NH2 ARG A 72 9.666 -9.109 7.920 1.00 64.32 N ATOM 0 H ARG A 72 11.647 -6.821 1.401 1.00 72.34 H new ATOM 0 HA ARG A 72 10.842 -9.612 1.275 1.00 3.41 H new ATOM 0 HB2 ARG A 72 10.329 -9.265 3.679 1.00 61.03 H new ATOM 0 HB3 ARG A 72 11.953 -8.736 3.287 1.00 61.03 H new ATOM 0 HG2 ARG A 72 11.148 -6.375 3.196 1.00 33.04 H new ATOM 0 HG3 ARG A 72 9.537 -6.917 3.623 1.00 33.04 H new ATOM 0 HD2 ARG A 72 12.022 -7.321 5.343 1.00 43.44 H new ATOM 0 HD3 ARG A 72 10.836 -6.053 5.582 1.00 43.44 H new ATOM 0 HE ARG A 72 9.321 -8.377 5.619 1.00 52.20 H new ATOM 0 HH11 ARG A 72 12.154 -7.244 7.337 1.00 33.24 H new ATOM 0 HH12 ARG A 72 11.737 -8.135 8.804 1.00 33.24 H new ATOM 0 HH21 ARG A 72 8.824 -9.473 7.475 1.00 64.32 H new ATOM 0 HH22 ARG A 72 9.890 -9.371 8.880 1.00 64.32 H new ATOM 1219 N PHE A 73 8.669 -7.491 0.581 1.00 4.25 N ATOM 1220 CA PHE A 73 7.249 -7.285 0.239 1.00 30.41 C ATOM 1221 C PHE A 73 6.994 -7.351 -1.277 1.00 44.43 C ATOM 1222 O PHE A 73 5.848 -7.486 -1.711 1.00 65.50 O ATOM 1223 CB PHE A 73 6.745 -5.949 0.808 1.00 14.03 C ATOM 1224 CG PHE A 73 6.269 -6.041 2.237 1.00 54.44 C ATOM 1225 CD1 PHE A 73 4.985 -6.492 2.515 1.00 51.43 C ATOM 1226 CD2 PHE A 73 7.091 -5.683 3.300 1.00 50.12 C ATOM 1227 CE1 PHE A 73 4.532 -6.585 3.816 1.00 30.01 C ATOM 1228 CE2 PHE A 73 6.640 -5.775 4.604 1.00 72.12 C ATOM 1229 CZ PHE A 73 5.360 -6.227 4.863 1.00 74.41 C ATOM 0 H PHE A 73 9.310 -6.840 0.127 1.00 4.25 H new ATOM 0 HA PHE A 73 6.691 -8.102 0.695 1.00 30.41 H new ATOM 0 HB2 PHE A 73 7.547 -5.213 0.748 1.00 14.03 H new ATOM 0 HB3 PHE A 73 5.929 -5.583 0.185 1.00 14.03 H new ATOM 0 HD1 PHE A 73 4.332 -6.774 1.702 1.00 51.43 H new ATOM 0 HD2 PHE A 73 8.093 -5.329 3.105 1.00 50.12 H new ATOM 0 HE1 PHE A 73 3.531 -6.937 4.015 1.00 30.01 H new ATOM 0 HE2 PHE A 73 7.288 -5.493 5.420 1.00 72.12 H new ATOM 0 HZ PHE A 73 5.008 -6.300 5.881 1.00 74.41 H new ATOM 1239 N ASP A 74 8.049 -7.262 -2.084 1.00 32.52 N ATOM 1240 CA ASP A 74 7.908 -7.337 -3.541 1.00 53.33 C ATOM 1241 C ASP A 74 7.455 -8.736 -3.995 1.00 63.32 C ATOM 1242 O ASP A 74 8.215 -9.707 -3.918 1.00 4.13 O ATOM 1243 CB ASP A 74 9.227 -6.957 -4.222 1.00 43.52 C ATOM 1244 CG ASP A 74 9.136 -7.025 -5.735 1.00 55.44 C ATOM 1245 OD1 ASP A 74 8.210 -6.411 -6.306 1.00 41.45 O ATOM 1246 OD2 ASP A 74 9.985 -7.696 -6.362 1.00 74.40 O ATOM 0 H ASP A 74 9.008 -7.138 -1.758 1.00 32.52 H new ATOM 0 HA ASP A 74 7.136 -6.627 -3.838 1.00 53.33 H new ATOM 0 HB2 ASP A 74 9.510 -5.948 -3.923 1.00 43.52 H new ATOM 0 HB3 ASP A 74 10.016 -7.625 -3.878 1.00 43.52 H new ATOM 1251 N GLY A 75 6.213 -8.829 -4.467 1.00 53.24 N ATOM 1252 CA GLY A 75 5.666 -10.102 -4.929 1.00 31.01 C ATOM 1253 C GLY A 75 4.978 -10.891 -3.821 1.00 1.30 C ATOM 1254 O GLY A 75 4.847 -12.112 -3.907 1.00 24.35 O ATOM 0 H GLY A 75 5.569 -8.041 -4.539 1.00 53.24 H new ATOM 0 HA2 GLY A 75 4.952 -9.915 -5.731 1.00 31.01 H new ATOM 0 HA3 GLY A 75 6.470 -10.705 -5.352 1.00 31.01 H new ATOM 1258 N TYR A 76 4.536 -10.188 -2.784 1.00 23.24 N ATOM 1259 CA TYR A 76 3.893 -10.809 -1.623 1.00 34.53 C ATOM 1260 C TYR A 76 2.377 -11.000 -1.840 1.00 74.31 C ATOM 1261 O TYR A 76 1.626 -10.034 -1.975 1.00 40.33 O ATOM 1262 CB TYR A 76 4.199 -9.946 -0.382 1.00 0.11 C ATOM 1263 CG TYR A 76 3.132 -9.924 0.698 1.00 1.33 C ATOM 1264 CD1 TYR A 76 2.839 -11.049 1.462 1.00 20.12 C ATOM 1265 CD2 TYR A 76 2.427 -8.754 0.960 1.00 54.23 C ATOM 1266 CE1 TYR A 76 1.875 -11.006 2.452 1.00 21.21 C ATOM 1267 CE2 TYR A 76 1.470 -8.703 1.947 1.00 15.14 C ATOM 1268 CZ TYR A 76 1.194 -9.831 2.692 1.00 53.32 C ATOM 1269 OH TYR A 76 0.241 -9.781 3.684 1.00 44.24 O ATOM 0 H TYR A 76 4.611 -9.173 -2.721 1.00 23.24 H new ATOM 0 HA TYR A 76 4.295 -11.811 -1.473 1.00 34.53 H new ATOM 0 HB2 TYR A 76 5.129 -10.302 0.062 1.00 0.11 H new ATOM 0 HB3 TYR A 76 4.374 -8.922 -0.711 1.00 0.11 H new ATOM 0 HD1 TYR A 76 3.373 -11.970 1.279 1.00 20.12 H new ATOM 0 HD2 TYR A 76 2.635 -7.869 0.377 1.00 54.23 H new ATOM 0 HE1 TYR A 76 1.656 -11.889 3.035 1.00 21.21 H new ATOM 0 HE2 TYR A 76 0.937 -7.783 2.138 1.00 15.14 H new ATOM 0 HH TYR A 76 -0.650 -9.723 3.279 1.00 44.24 H new ATOM 1279 N ILE A 77 1.939 -12.261 -1.892 1.00 50.11 N ATOM 1280 CA ILE A 77 0.515 -12.590 -2.047 1.00 51.01 C ATOM 1281 C ILE A 77 -0.220 -12.556 -0.694 1.00 23.10 C ATOM 1282 O ILE A 77 0.127 -13.289 0.235 1.00 32.43 O ATOM 1283 CB ILE A 77 0.326 -13.995 -2.687 1.00 43.43 C ATOM 1284 CG1 ILE A 77 0.925 -14.042 -4.108 1.00 12.23 C ATOM 1285 CG2 ILE A 77 -1.154 -14.387 -2.716 1.00 52.13 C ATOM 1286 CD1 ILE A 77 0.171 -13.215 -5.128 1.00 34.40 C ATOM 0 H ILE A 77 2.551 -13.075 -1.829 1.00 50.11 H new ATOM 0 HA ILE A 77 0.089 -11.833 -2.706 1.00 51.01 H new ATOM 0 HB ILE A 77 0.860 -14.716 -2.069 1.00 43.43 H new ATOM 0 HG12 ILE A 77 1.957 -13.694 -4.067 1.00 12.23 H new ATOM 0 HG13 ILE A 77 0.951 -15.078 -4.445 1.00 12.23 H new ATOM 0 HG21 ILE A 77 -1.260 -15.373 -3.168 1.00 52.13 H new ATOM 0 HG22 ILE A 77 -1.544 -14.410 -1.699 1.00 52.13 H new ATOM 0 HG23 ILE A 77 -1.712 -13.657 -3.302 1.00 52.13 H new ATOM 0 HD11 ILE A 77 0.658 -13.303 -6.099 1.00 34.40 H new ATOM 0 HD12 ILE A 77 -0.855 -13.576 -5.202 1.00 34.40 H new ATOM 0 HD13 ILE A 77 0.167 -12.170 -4.818 1.00 34.40 H new ATOM 1298 N PHE A 78 -1.237 -11.707 -0.588 1.00 54.55 N ATOM 1299 CA PHE A 78 -2.060 -11.635 0.624 1.00 5.23 C ATOM 1300 C PHE A 78 -3.448 -12.254 0.388 1.00 40.13 C ATOM 1301 O PHE A 78 -4.064 -12.039 -0.655 1.00 64.13 O ATOM 1302 CB PHE A 78 -2.203 -10.179 1.092 1.00 15.15 C ATOM 1303 CG PHE A 78 -3.055 -10.023 2.333 1.00 41.20 C ATOM 1304 CD1 PHE A 78 -2.640 -10.554 3.549 1.00 64.23 C ATOM 1305 CD2 PHE A 78 -4.269 -9.351 2.285 1.00 10.42 C ATOM 1306 CE1 PHE A 78 -3.416 -10.415 4.685 1.00 12.31 C ATOM 1307 CE2 PHE A 78 -5.047 -9.213 3.418 1.00 14.14 C ATOM 1308 CZ PHE A 78 -4.621 -9.743 4.618 1.00 13.15 C ATOM 0 H PHE A 78 -1.515 -11.058 -1.324 1.00 54.55 H new ATOM 0 HA PHE A 78 -1.558 -12.208 1.404 1.00 5.23 H new ATOM 0 HB2 PHE A 78 -1.212 -9.770 1.288 1.00 15.15 H new ATOM 0 HB3 PHE A 78 -2.638 -9.588 0.286 1.00 15.15 H new ATOM 0 HD1 PHE A 78 -1.700 -11.082 3.607 1.00 64.23 H new ATOM 0 HD2 PHE A 78 -4.609 -8.931 1.350 1.00 10.42 H new ATOM 0 HE1 PHE A 78 -3.080 -10.831 5.623 1.00 12.31 H new ATOM 0 HE2 PHE A 78 -5.990 -8.689 3.364 1.00 14.14 H new ATOM 0 HZ PHE A 78 -5.229 -9.633 5.504 1.00 13.15 H new ATOM 1318 N LEU A 79 -3.923 -13.038 1.357 1.00 35.03 N ATOM 1319 CA LEU A 79 -5.253 -13.660 1.280 1.00 51.45 C ATOM 1320 C LEU A 79 -6.183 -13.133 2.388 1.00 0.31 C ATOM 1321 O LEU A 79 -5.788 -13.047 3.554 1.00 5.12 O ATOM 1322 CB LEU A 79 -5.122 -15.186 1.400 1.00 51.34 C ATOM 1323 CG LEU A 79 -4.282 -15.866 0.305 1.00 65.45 C ATOM 1324 CD1 LEU A 79 -4.082 -17.346 0.621 1.00 11.10 C ATOM 1325 CD2 LEU A 79 -4.934 -15.691 -1.065 1.00 53.34 C ATOM 0 H LEU A 79 -3.407 -13.260 2.208 1.00 35.03 H new ATOM 0 HA LEU A 79 -5.691 -13.401 0.316 1.00 51.45 H new ATOM 0 HB2 LEU A 79 -4.682 -15.420 2.369 1.00 51.34 H new ATOM 0 HB3 LEU A 79 -6.121 -15.621 1.390 1.00 51.34 H new ATOM 0 HG LEU A 79 -3.304 -15.386 0.280 1.00 65.45 H new ATOM 0 HD11 LEU A 79 -3.486 -17.809 -0.165 1.00 11.10 H new ATOM 0 HD12 LEU A 79 -3.566 -17.448 1.575 1.00 11.10 H new ATOM 0 HD13 LEU A 79 -5.052 -17.840 0.679 1.00 11.10 H new ATOM 0 HD21 LEU A 79 -4.323 -16.180 -1.824 1.00 53.34 H new ATOM 0 HD22 LEU A 79 -5.927 -16.139 -1.055 1.00 53.34 H new ATOM 0 HD23 LEU A 79 -5.018 -14.629 -1.295 1.00 53.34 H new ATOM 1337 N ASP A 80 -7.415 -12.785 2.024 1.00 70.14 N ATOM 1338 CA ASP A 80 -8.406 -12.319 3.001 1.00 11.44 C ATOM 1339 C ASP A 80 -9.190 -13.505 3.601 1.00 52.02 C ATOM 1340 O ASP A 80 -8.727 -14.652 3.579 1.00 43.33 O ATOM 1341 CB ASP A 80 -9.373 -11.330 2.331 1.00 22.42 C ATOM 1342 CG ASP A 80 -10.335 -12.021 1.382 1.00 45.33 C ATOM 1343 OD1 ASP A 80 -9.866 -12.663 0.421 1.00 73.13 O ATOM 1344 OD2 ASP A 80 -11.558 -11.966 1.625 1.00 53.25 O ATOM 0 H ASP A 80 -7.754 -12.815 1.062 1.00 70.14 H new ATOM 0 HA ASP A 80 -7.880 -11.815 3.812 1.00 11.44 H new ATOM 0 HB2 ASP A 80 -9.939 -10.802 3.098 1.00 22.42 H new ATOM 0 HB3 ASP A 80 -8.802 -10.580 1.784 1.00 22.42 H new ATOM 1349 N SER A 81 -10.368 -13.219 4.150 1.00 52.13 N ATOM 1350 CA SER A 81 -11.252 -14.263 4.681 1.00 54.12 C ATOM 1351 C SER A 81 -11.688 -15.249 3.587 1.00 34.52 C ATOM 1352 O SER A 81 -11.724 -16.458 3.810 1.00 21.41 O ATOM 1353 CB SER A 81 -12.487 -13.633 5.336 1.00 42.51 C ATOM 1354 OG SER A 81 -12.128 -12.855 6.468 1.00 51.31 O ATOM 0 H SER A 81 -10.736 -12.272 4.241 1.00 52.13 H new ATOM 0 HA SER A 81 -10.688 -14.819 5.430 1.00 54.12 H new ATOM 0 HB2 SER A 81 -13.007 -13.006 4.611 1.00 42.51 H new ATOM 0 HB3 SER A 81 -13.182 -14.417 5.636 1.00 42.51 H new ATOM 0 HG SER A 81 -12.934 -12.464 6.865 1.00 51.31 H new ATOM 1360 N LYS A 82 -12.006 -14.733 2.401 1.00 54.11 N ATOM 1361 CA LYS A 82 -12.422 -15.578 1.272 1.00 53.45 C ATOM 1362 C LYS A 82 -11.225 -16.309 0.645 1.00 33.42 C ATOM 1363 O LYS A 82 -11.322 -17.481 0.278 1.00 24.32 O ATOM 1364 CB LYS A 82 -13.124 -14.733 0.199 1.00 32.31 C ATOM 1365 CG LYS A 82 -14.323 -13.949 0.718 1.00 55.32 C ATOM 1366 CD LYS A 82 -15.432 -14.862 1.236 1.00 21.33 C ATOM 1367 CE LYS A 82 -16.593 -14.062 1.816 1.00 64.53 C ATOM 1368 NZ LYS A 82 -16.190 -13.271 3.008 1.00 54.42 N ATOM 0 H LYS A 82 -11.985 -13.735 2.192 1.00 54.11 H new ATOM 0 HA LYS A 82 -13.116 -16.323 1.661 1.00 53.45 H new ATOM 0 HB2 LYS A 82 -12.404 -14.036 -0.229 1.00 32.31 H new ATOM 0 HB3 LYS A 82 -13.452 -15.388 -0.608 1.00 32.31 H new ATOM 0 HG2 LYS A 82 -14.000 -13.283 1.518 1.00 55.32 H new ATOM 0 HG3 LYS A 82 -14.716 -13.320 -0.081 1.00 55.32 H new ATOM 0 HD2 LYS A 82 -15.794 -15.493 0.424 1.00 21.33 H new ATOM 0 HD3 LYS A 82 -15.030 -15.527 2.001 1.00 21.33 H new ATOM 0 HE2 LYS A 82 -16.987 -13.391 1.053 1.00 64.53 H new ATOM 0 HE3 LYS A 82 -17.400 -14.742 2.089 1.00 64.53 H new ATOM 0 HZ1 LYS A 82 -17.039 -12.937 3.506 1.00 54.42 H new ATOM 0 HZ2 LYS A 82 -15.627 -13.868 3.647 1.00 54.42 H new ATOM 0 HZ3 LYS A 82 -15.622 -12.454 2.706 1.00 54.42 H new ATOM 1382 N GLY A 83 -10.103 -15.606 0.521 1.00 45.43 N ATOM 1383 CA GLY A 83 -8.909 -16.188 -0.083 1.00 51.42 C ATOM 1384 C GLY A 83 -8.601 -15.612 -1.463 1.00 63.12 C ATOM 1385 O GLY A 83 -8.058 -16.301 -2.332 1.00 11.25 O ATOM 0 H GLY A 83 -9.996 -14.639 0.828 1.00 45.43 H new ATOM 0 HA2 GLY A 83 -8.056 -16.019 0.574 1.00 51.42 H new ATOM 0 HA3 GLY A 83 -9.039 -17.267 -0.166 1.00 51.42 H new ATOM 1389 N LEU A 84 -8.963 -14.349 -1.670 1.00 62.12 N ATOM 1390 CA LEU A 84 -8.677 -13.652 -2.926 1.00 32.02 C ATOM 1391 C LEU A 84 -7.195 -13.250 -3.001 1.00 63.42 C ATOM 1392 O LEU A 84 -6.733 -12.394 -2.249 1.00 60.13 O ATOM 1393 CB LEU A 84 -9.571 -12.407 -3.056 1.00 61.22 C ATOM 1394 CG LEU A 84 -11.086 -12.678 -3.012 1.00 12.32 C ATOM 1395 CD1 LEU A 84 -11.876 -11.372 -3.087 1.00 73.53 C ATOM 1396 CD2 LEU A 84 -11.504 -13.630 -4.137 1.00 65.42 C ATOM 0 H LEU A 84 -9.458 -13.782 -0.981 1.00 62.12 H new ATOM 0 HA LEU A 84 -8.891 -14.330 -3.752 1.00 32.02 H new ATOM 0 HB2 LEU A 84 -9.319 -11.714 -2.254 1.00 61.22 H new ATOM 0 HB3 LEU A 84 -9.335 -11.907 -3.995 1.00 61.22 H new ATOM 0 HG LEU A 84 -11.314 -13.158 -2.060 1.00 12.32 H new ATOM 0 HD11 LEU A 84 -12.943 -11.590 -3.054 1.00 73.53 H new ATOM 0 HD12 LEU A 84 -11.609 -10.736 -2.243 1.00 73.53 H new ATOM 0 HD13 LEU A 84 -11.639 -10.857 -4.018 1.00 73.53 H new ATOM 0 HD21 LEU A 84 -12.578 -13.806 -4.084 1.00 65.42 H new ATOM 0 HD22 LEU A 84 -11.256 -13.186 -5.101 1.00 65.42 H new ATOM 0 HD23 LEU A 84 -10.976 -14.577 -4.027 1.00 65.42 H new ATOM 1408 N GLU A 85 -6.458 -13.888 -3.907 1.00 41.30 N ATOM 1409 CA GLU A 85 -5.023 -13.631 -4.078 1.00 70.45 C ATOM 1410 C GLU A 85 -4.735 -12.167 -4.458 1.00 3.23 C ATOM 1411 O GLU A 85 -4.901 -11.766 -5.612 1.00 71.24 O ATOM 1412 CB GLU A 85 -4.454 -14.582 -5.144 1.00 71.21 C ATOM 1413 CG GLU A 85 -4.509 -16.054 -4.738 1.00 62.44 C ATOM 1414 CD GLU A 85 -4.159 -17.002 -5.875 1.00 75.11 C ATOM 1415 OE1 GLU A 85 -2.971 -17.083 -6.253 1.00 12.51 O ATOM 1416 OE2 GLU A 85 -5.076 -17.668 -6.403 1.00 15.24 O ATOM 0 H GLU A 85 -6.832 -14.594 -4.541 1.00 41.30 H new ATOM 0 HA GLU A 85 -4.534 -13.814 -3.121 1.00 70.45 H new ATOM 0 HB2 GLU A 85 -5.009 -14.448 -6.073 1.00 71.21 H new ATOM 0 HB3 GLU A 85 -3.419 -14.308 -5.349 1.00 71.21 H new ATOM 0 HG2 GLU A 85 -3.821 -16.222 -3.909 1.00 62.44 H new ATOM 0 HG3 GLU A 85 -5.510 -16.287 -4.374 1.00 62.44 H new ATOM 1423 N TYR A 86 -4.331 -11.369 -3.469 1.00 32.23 N ATOM 1424 CA TYR A 86 -3.902 -9.985 -3.705 1.00 54.13 C ATOM 1425 C TYR A 86 -2.377 -9.924 -3.914 1.00 72.23 C ATOM 1426 O TYR A 86 -1.612 -10.084 -2.959 1.00 23.12 O ATOM 1427 CB TYR A 86 -4.285 -9.089 -2.518 1.00 62.42 C ATOM 1428 CG TYR A 86 -5.735 -9.207 -2.076 1.00 44.42 C ATOM 1429 CD1 TYR A 86 -6.782 -8.962 -2.959 1.00 73.25 C ATOM 1430 CD2 TYR A 86 -6.050 -9.549 -0.766 1.00 34.24 C ATOM 1431 CE1 TYR A 86 -8.100 -9.058 -2.547 1.00 31.43 C ATOM 1432 CE2 TYR A 86 -7.361 -9.649 -0.349 1.00 4.12 C ATOM 1433 CZ TYR A 86 -8.384 -9.403 -1.242 1.00 22.04 C ATOM 1434 OH TYR A 86 -9.691 -9.494 -0.822 1.00 52.23 O ATOM 0 H TYR A 86 -4.291 -11.657 -2.491 1.00 32.23 H new ATOM 0 HA TYR A 86 -4.406 -9.626 -4.602 1.00 54.13 H new ATOM 0 HB2 TYR A 86 -3.641 -9.333 -1.673 1.00 62.42 H new ATOM 0 HB3 TYR A 86 -4.083 -8.051 -2.784 1.00 62.42 H new ATOM 0 HD1 TYR A 86 -6.563 -8.693 -3.982 1.00 73.25 H new ATOM 0 HD2 TYR A 86 -5.254 -9.740 -0.062 1.00 34.24 H new ATOM 0 HE1 TYR A 86 -8.902 -8.864 -3.244 1.00 31.43 H new ATOM 0 HE2 TYR A 86 -7.586 -9.919 0.672 1.00 4.12 H new ATOM 0 HH TYR A 86 -9.746 -9.264 0.129 1.00 52.23 H new ATOM 1444 N PRO A 87 -1.907 -9.704 -5.158 1.00 75.32 N ATOM 1445 CA PRO A 87 -0.471 -9.641 -5.451 1.00 10.20 C ATOM 1446 C PRO A 87 0.152 -8.274 -5.134 1.00 4.50 C ATOM 1447 O PRO A 87 0.011 -7.316 -5.897 1.00 23.04 O ATOM 1448 CB PRO A 87 -0.418 -9.944 -6.952 1.00 52.42 C ATOM 1449 CG PRO A 87 -1.711 -9.418 -7.493 1.00 51.24 C ATOM 1450 CD PRO A 87 -2.727 -9.515 -6.374 1.00 73.04 C ATOM 0 HA PRO A 87 0.104 -10.335 -4.838 1.00 10.20 H new ATOM 0 HB2 PRO A 87 0.436 -9.458 -7.424 1.00 52.42 H new ATOM 0 HB3 PRO A 87 -0.318 -11.014 -7.137 1.00 52.42 H new ATOM 0 HG2 PRO A 87 -1.599 -8.386 -7.825 1.00 51.24 H new ATOM 0 HG3 PRO A 87 -2.032 -9.998 -8.358 1.00 51.24 H new ATOM 0 HD2 PRO A 87 -3.335 -8.613 -6.308 1.00 73.04 H new ATOM 0 HD3 PRO A 87 -3.411 -10.350 -6.528 1.00 73.04 H new ATOM 1458 N ALA A 88 0.833 -8.184 -3.996 1.00 4.24 N ATOM 1459 CA ALA A 88 1.509 -6.951 -3.598 1.00 24.35 C ATOM 1460 C ALA A 88 2.895 -6.839 -4.256 1.00 31.04 C ATOM 1461 O ALA A 88 3.863 -7.454 -3.808 1.00 33.24 O ATOM 1462 CB ALA A 88 1.621 -6.874 -2.077 1.00 73.34 C ATOM 0 H ALA A 88 0.932 -8.951 -3.331 1.00 4.24 H new ATOM 0 HA ALA A 88 0.910 -6.108 -3.944 1.00 24.35 H new ATOM 0 HB1 ALA A 88 2.127 -5.950 -1.796 1.00 73.34 H new ATOM 0 HB2 ALA A 88 0.624 -6.890 -1.637 1.00 73.34 H new ATOM 0 HB3 ALA A 88 2.193 -7.727 -1.711 1.00 73.34 H new ATOM 1468 N VAL A 89 2.972 -6.083 -5.347 1.00 25.42 N ATOM 1469 CA VAL A 89 4.244 -5.826 -6.032 1.00 74.14 C ATOM 1470 C VAL A 89 4.727 -4.398 -5.742 1.00 43.11 C ATOM 1471 O VAL A 89 3.938 -3.456 -5.765 1.00 15.53 O ATOM 1472 CB VAL A 89 4.109 -6.026 -7.561 1.00 3.21 C ATOM 1473 CG1 VAL A 89 5.419 -5.700 -8.275 1.00 50.40 C ATOM 1474 CG2 VAL A 89 3.661 -7.454 -7.879 1.00 42.32 C ATOM 0 H VAL A 89 2.166 -5.633 -5.781 1.00 25.42 H new ATOM 0 HA VAL A 89 4.974 -6.541 -5.653 1.00 74.14 H new ATOM 0 HB VAL A 89 3.348 -5.337 -7.926 1.00 3.21 H new ATOM 0 HG11 VAL A 89 5.296 -5.849 -9.348 1.00 50.40 H new ATOM 0 HG12 VAL A 89 5.690 -4.662 -8.082 1.00 50.40 H new ATOM 0 HG13 VAL A 89 6.208 -6.356 -7.906 1.00 50.40 H new ATOM 0 HG21 VAL A 89 3.572 -7.575 -8.959 1.00 42.32 H new ATOM 0 HG22 VAL A 89 4.397 -8.160 -7.494 1.00 42.32 H new ATOM 0 HG23 VAL A 89 2.695 -7.645 -7.411 1.00 42.32 H new ATOM 1484 N VAL A 90 6.017 -4.238 -5.472 1.00 14.52 N ATOM 1485 CA VAL A 90 6.560 -2.934 -5.078 1.00 62.13 C ATOM 1486 C VAL A 90 7.277 -2.236 -6.247 1.00 65.30 C ATOM 1487 O VAL A 90 7.962 -2.881 -7.042 1.00 74.33 O ATOM 1488 CB VAL A 90 7.537 -3.080 -3.885 1.00 3.31 C ATOM 1489 CG1 VAL A 90 8.017 -1.716 -3.398 1.00 11.13 C ATOM 1490 CG2 VAL A 90 6.882 -3.861 -2.747 1.00 61.33 C ATOM 0 H VAL A 90 6.707 -4.988 -5.517 1.00 14.52 H new ATOM 0 HA VAL A 90 5.714 -2.317 -4.777 1.00 62.13 H new ATOM 0 HB VAL A 90 8.408 -3.638 -4.229 1.00 3.31 H new ATOM 0 HG11 VAL A 90 8.701 -1.849 -2.560 1.00 11.13 H new ATOM 0 HG12 VAL A 90 8.532 -1.201 -4.209 1.00 11.13 H new ATOM 0 HG13 VAL A 90 7.161 -1.123 -3.077 1.00 11.13 H new ATOM 0 HG21 VAL A 90 7.584 -3.953 -1.918 1.00 61.33 H new ATOM 0 HG22 VAL A 90 5.990 -3.333 -2.410 1.00 61.33 H new ATOM 0 HG23 VAL A 90 6.605 -4.854 -3.100 1.00 61.33 H new ATOM 1500 N GLU A 91 7.115 -0.913 -6.346 1.00 74.32 N ATOM 1501 CA GLU A 91 7.775 -0.114 -7.392 1.00 24.55 C ATOM 1502 C GLU A 91 8.204 1.256 -6.844 1.00 23.00 C ATOM 1503 O GLU A 91 7.859 1.625 -5.724 1.00 1.14 O ATOM 1504 CB GLU A 91 6.835 0.098 -8.591 1.00 61.54 C ATOM 1505 CG GLU A 91 5.677 1.046 -8.297 1.00 43.01 C ATOM 1506 CD GLU A 91 4.810 1.333 -9.514 1.00 74.35 C ATOM 1507 OE1 GLU A 91 5.349 1.792 -10.542 1.00 14.44 O ATOM 1508 OE2 GLU A 91 3.588 1.096 -9.451 1.00 64.42 O ATOM 0 H GLU A 91 6.530 -0.367 -5.713 1.00 74.32 H new ATOM 0 HA GLU A 91 8.658 -0.665 -7.717 1.00 24.55 H new ATOM 0 HB2 GLU A 91 7.411 0.490 -9.429 1.00 61.54 H new ATOM 0 HB3 GLU A 91 6.434 -0.866 -8.903 1.00 61.54 H new ATOM 0 HG2 GLU A 91 5.056 0.617 -7.510 1.00 43.01 H new ATOM 0 HG3 GLU A 91 6.074 1.986 -7.913 1.00 43.01 H new ATOM 1515 N PHE A 92 8.943 2.019 -7.646 1.00 12.34 N ATOM 1516 CA PHE A 92 9.342 3.380 -7.263 1.00 51.00 C ATOM 1517 C PHE A 92 8.429 4.421 -7.930 1.00 41.11 C ATOM 1518 O PHE A 92 8.022 4.259 -9.083 1.00 72.25 O ATOM 1519 CB PHE A 92 10.808 3.646 -7.644 1.00 72.23 C ATOM 1520 CG PHE A 92 11.061 3.694 -9.134 1.00 51.32 C ATOM 1521 CD1 PHE A 92 11.067 2.530 -9.887 1.00 45.23 C ATOM 1522 CD2 PHE A 92 11.291 4.904 -9.780 1.00 75.44 C ATOM 1523 CE1 PHE A 92 11.295 2.569 -11.248 1.00 11.21 C ATOM 1524 CE2 PHE A 92 11.520 4.947 -11.142 1.00 60.54 C ATOM 1525 CZ PHE A 92 11.523 3.777 -11.877 1.00 14.24 C ATOM 0 H PHE A 92 9.279 1.724 -8.563 1.00 12.34 H new ATOM 0 HA PHE A 92 9.241 3.467 -6.181 1.00 51.00 H new ATOM 0 HB2 PHE A 92 11.121 4.592 -7.203 1.00 72.23 H new ATOM 0 HB3 PHE A 92 11.433 2.868 -7.205 1.00 72.23 H new ATOM 0 HD1 PHE A 92 10.891 1.581 -9.403 1.00 45.23 H new ATOM 0 HD2 PHE A 92 11.291 5.821 -9.210 1.00 75.44 H new ATOM 0 HE1 PHE A 92 11.295 1.654 -11.821 1.00 11.21 H new ATOM 0 HE2 PHE A 92 11.696 5.894 -11.631 1.00 60.54 H new ATOM 0 HZ PHE A 92 11.703 3.807 -12.941 1.00 14.24 H new ATOM 1535 N ALA A 93 8.106 5.485 -7.204 1.00 62.42 N ATOM 1536 CA ALA A 93 7.272 6.563 -7.747 1.00 63.55 C ATOM 1537 C ALA A 93 8.132 7.633 -8.442 1.00 12.12 C ATOM 1538 O ALA A 93 9.238 7.936 -7.992 1.00 3.23 O ATOM 1539 CB ALA A 93 6.429 7.187 -6.641 1.00 51.44 C ATOM 0 H ALA A 93 8.406 5.629 -6.240 1.00 62.42 H new ATOM 0 HA ALA A 93 6.605 6.133 -8.495 1.00 63.55 H new ATOM 0 HB1 ALA A 93 5.815 7.985 -7.058 1.00 51.44 H new ATOM 0 HB2 ALA A 93 5.785 6.426 -6.201 1.00 51.44 H new ATOM 0 HB3 ALA A 93 7.084 7.597 -5.872 1.00 51.44 H new