USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 525 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 49 THR OG1 : rot 180:sc= 0.868 USER MOD Set 1.2: A 62 SER OG : rot -123:sc= 0.92 USER MOD Set 2.1: A 19 MET CE :methyl 154:sc= -0.0237 (180deg=-0.38) USER MOD Set 2.2: A 23 MET CE :methyl -172:sc= -2.2! (180deg=-2.47!) USER MOD Single : A 20 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.9) USER MOD Single : A 26 ASN : amide:sc= 0.524 K(o=0.52,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.188 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 39 GLN : amide:sc= -2.81 X(o=-2.8,f=-2.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0832 K(o=-0.083,f=-1.2) USER MOD Single : A 50 MET CE :methyl -129:sc= -1.95! (180deg=-3.91!) USER MOD Single : A 51 SER OG : rot -55:sc= 0.0154 USER MOD Single : A 57 THR OG1 : rot 132:sc= 1.24 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= 0.36 USER MOD Single : A 65 SER OG : rot 6:sc= 0.313 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.203) USER MOD Single : A 68 THR OG1 : rot -18:sc= 0.315 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -1.46 F(o=-2.2,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.731) USER MOD Single : A 79 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.032) USER MOD Single : A 81 MET CE :methyl -120:sc= -2.59 (180deg=-8.46!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.913 -13.081 -0.995 1.00 0.00 N ATOM 237 CA LEU A 18 -9.977 -11.778 -0.341 1.00 0.00 C ATOM 238 C LEU A 18 -8.600 -11.123 -0.297 1.00 0.00 C ATOM 239 O LEU A 18 -8.480 -9.902 -0.395 1.00 0.00 O ATOM 240 CB LEU A 18 -10.530 -11.924 1.078 1.00 0.00 C ATOM 241 CG LEU A 18 -9.837 -12.959 1.965 1.00 0.00 C ATOM 242 CD1 LEU A 18 -8.687 -12.321 2.729 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.833 -13.590 2.927 1.00 0.00 C ATOM 0 HA LEU A 18 -10.644 -11.140 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.470 -10.954 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.587 -12.183 1.010 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.432 -13.744 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.205 -13.072 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.961 -11.917 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.069 -11.516 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.322 -14.324 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.268 -12.816 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.624 -14.082 2.361 1.00 0.00 H new ATOM 255 N MET A 19 -7.565 -11.943 -0.152 1.00 0.00 N ATOM 256 CA MET A 19 -6.196 -11.442 -0.098 1.00 0.00 C ATOM 257 C MET A 19 -5.860 -10.642 -1.353 1.00 0.00 C ATOM 258 O MET A 19 -4.917 -9.852 -1.363 1.00 0.00 O ATOM 259 CB MET A 19 -5.212 -12.603 0.059 1.00 0.00 C ATOM 260 CG MET A 19 -5.015 -13.410 -1.214 1.00 0.00 C ATOM 261 SD MET A 19 -6.410 -14.495 -1.571 1.00 0.00 S ATOM 262 CE MET A 19 -6.629 -14.200 -3.324 1.00 0.00 C ATOM 0 H MET A 19 -7.647 -12.956 -0.070 1.00 0.00 H new ATOM 0 HA MET A 19 -6.110 -10.783 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.248 -12.210 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.568 -13.266 0.848 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.866 -12.729 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.108 -14.008 -1.124 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.094 -15.072 -3.784 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.267 -13.329 -3.469 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.659 -14.020 -3.787 1.00 0.00 H new ATOM 272 N ASN A 20 -6.639 -10.853 -2.410 1.00 0.00 N ATOM 273 CA ASN A 20 -6.423 -10.151 -3.670 1.00 0.00 C ATOM 274 C ASN A 20 -6.181 -8.664 -3.430 1.00 0.00 C ATOM 275 O ASN A 20 -5.220 -8.091 -3.943 1.00 0.00 O ATOM 276 CB ASN A 20 -7.627 -10.340 -4.595 1.00 0.00 C ATOM 277 CG ASN A 20 -8.901 -9.760 -4.013 1.00 0.00 C ATOM 278 OD1 ASN A 20 -9.218 -8.590 -4.229 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.637 -10.577 -3.270 1.00 0.00 N ATOM 0 H ASN A 20 -7.424 -11.504 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.537 -10.573 -4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.421 -9.867 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.770 -11.403 -4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.505 -10.243 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.335 -11.539 -3.118 1.00 0.00 H new ATOM 286 N ALA A 21 -7.058 -8.046 -2.647 1.00 0.00 N ATOM 287 CA ALA A 21 -6.938 -6.627 -2.337 1.00 0.00 C ATOM 288 C ALA A 21 -5.475 -6.206 -2.245 1.00 0.00 C ATOM 289 O ALA A 21 -5.094 -5.139 -2.726 1.00 0.00 O ATOM 290 CB ALA A 21 -7.664 -6.307 -1.038 1.00 0.00 C ATOM 0 H ALA A 21 -7.860 -8.506 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.400 -6.064 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.566 -5.244 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.719 -6.561 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.227 -6.887 -0.225 1.00 0.00 H new ATOM 296 N LEU A 22 -4.660 -7.051 -1.623 1.00 0.00 N ATOM 297 CA LEU A 22 -3.238 -6.767 -1.467 1.00 0.00 C ATOM 298 C LEU A 22 -2.550 -6.668 -2.826 1.00 0.00 C ATOM 299 O LEU A 22 -2.134 -5.588 -3.244 1.00 0.00 O ATOM 300 CB LEU A 22 -2.570 -7.854 -0.623 1.00 0.00 C ATOM 301 CG LEU A 22 -2.596 -7.639 0.890 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.023 -8.849 1.611 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.828 -6.380 1.264 1.00 0.00 C ATOM 0 H LEU A 22 -4.960 -7.938 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.138 -5.808 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.054 -8.806 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.531 -7.944 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.633 -7.513 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.050 -8.678 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.616 -9.731 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.992 -9.007 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.858 -6.243 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.792 -6.475 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.283 -5.518 0.777 1.00 0.00 H new ATOM 315 N MET A 23 -2.437 -7.801 -3.510 1.00 0.00 N ATOM 316 CA MET A 23 -1.803 -7.841 -4.823 1.00 0.00 C ATOM 317 C MET A 23 -2.302 -6.698 -5.702 1.00 0.00 C ATOM 318 O MET A 23 -1.520 -6.058 -6.406 1.00 0.00 O ATOM 319 CB MET A 23 -2.079 -9.182 -5.505 1.00 0.00 C ATOM 320 CG MET A 23 -1.370 -10.355 -4.848 1.00 0.00 C ATOM 321 SD MET A 23 -2.272 -11.905 -5.035 1.00 0.00 S ATOM 322 CE MET A 23 -2.907 -12.130 -3.375 1.00 0.00 C ATOM 0 H MET A 23 -2.776 -8.704 -3.177 1.00 0.00 H new ATOM 0 HA MET A 23 -0.728 -7.727 -4.684 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.153 -9.368 -5.501 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.771 -9.120 -6.549 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.376 -10.463 -5.282 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.234 -10.144 -3.787 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.367 -13.115 -3.292 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.089 -12.050 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.652 -11.363 -3.163 1.00 0.00 H new ATOM 332 N ARG A 24 -3.606 -6.448 -5.656 1.00 0.00 N ATOM 333 CA ARG A 24 -4.208 -5.383 -6.449 1.00 0.00 C ATOM 334 C ARG A 24 -3.474 -4.063 -6.233 1.00 0.00 C ATOM 335 O ARG A 24 -2.946 -3.472 -7.176 1.00 0.00 O ATOM 336 CB ARG A 24 -5.686 -5.222 -6.089 1.00 0.00 C ATOM 337 CG ARG A 24 -6.496 -6.498 -6.255 1.00 0.00 C ATOM 338 CD ARG A 24 -6.903 -6.714 -7.705 1.00 0.00 C ATOM 339 NE ARG A 24 -7.940 -7.733 -7.835 1.00 0.00 N ATOM 340 CZ ARG A 24 -7.697 -9.039 -7.805 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.457 -9.481 -7.649 1.00 0.00 N ATOM 342 NH2 ARG A 24 -8.694 -9.904 -7.931 1.00 0.00 N ATOM 0 H ARG A 24 -4.266 -6.968 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.126 -5.657 -7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.765 -4.884 -5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.121 -4.442 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.910 -7.350 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.387 -6.449 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.263 -5.775 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.030 -7.009 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.905 -7.425 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.688 -8.818 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.272 -10.484 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.649 -9.567 -8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.506 -10.906 -7.908 1.00 0.00 H new ATOM 356 N LEU A 25 -3.446 -3.605 -4.987 1.00 0.00 N ATOM 357 CA LEU A 25 -2.778 -2.354 -4.646 1.00 0.00 C ATOM 358 C LEU A 25 -1.365 -2.317 -5.220 1.00 0.00 C ATOM 359 O LEU A 25 -0.860 -1.256 -5.584 1.00 0.00 O ATOM 360 CB LEU A 25 -2.728 -2.176 -3.127 1.00 0.00 C ATOM 361 CG LEU A 25 -2.531 -0.746 -2.625 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.768 0.093 -2.903 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.205 -0.743 -1.138 1.00 0.00 C ATOM 0 H LEU A 25 -3.878 -4.081 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.350 -1.535 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.656 -2.563 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.918 -2.792 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.691 -0.306 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.609 1.108 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.957 0.118 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.627 -0.345 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.068 0.283 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.024 -1.202 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.289 -1.308 -0.965 1.00 0.00 H new ATOM 375 N ASN A 26 -0.734 -3.484 -5.301 1.00 0.00 N ATOM 376 CA ASN A 26 0.620 -3.586 -5.833 1.00 0.00 C ATOM 377 C ASN A 26 0.616 -3.472 -7.355 1.00 0.00 C ATOM 378 O ASN A 26 1.441 -2.766 -7.936 1.00 0.00 O ATOM 379 CB ASN A 26 1.258 -4.911 -5.412 1.00 0.00 C ATOM 380 CG ASN A 26 1.683 -4.910 -3.956 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.805 -4.528 -3.625 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.784 -5.340 -3.078 1.00 0.00 N ATOM 0 H ASN A 26 -1.139 -4.372 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 26 1.207 -2.763 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.550 -5.722 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.126 -5.110 -6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.012 -5.363 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.135 -5.647 -3.398 1.00 0.00 H new ATOM 389 N GLN A 27 -0.318 -4.170 -7.993 1.00 0.00 N ATOM 390 CA GLN A 27 -0.428 -4.147 -9.447 1.00 0.00 C ATOM 391 C GLN A 27 -0.490 -2.714 -9.965 1.00 0.00 C ATOM 392 O GLN A 27 0.277 -2.330 -10.849 1.00 0.00 O ATOM 393 CB GLN A 27 -1.670 -4.918 -9.897 1.00 0.00 C ATOM 394 CG GLN A 27 -1.549 -6.423 -9.720 1.00 0.00 C ATOM 395 CD GLN A 27 -2.812 -7.161 -10.116 1.00 0.00 C ATOM 396 OE1 GLN A 27 -3.222 -7.135 -11.277 1.00 0.00 O ATOM 397 NE2 GLN A 27 -3.438 -7.825 -9.150 1.00 0.00 N ATOM 0 H GLN A 27 -1.009 -4.758 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 27 0.459 -4.626 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.532 -4.562 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.863 -4.698 -10.947 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.716 -6.790 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.315 -6.645 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.063 -7.820 -8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.294 -8.340 -9.357 1.00 0.00 H new ATOM 406 N ILE A 28 -1.406 -1.928 -9.410 1.00 0.00 N ATOM 407 CA ILE A 28 -1.566 -0.537 -9.816 1.00 0.00 C ATOM 408 C ILE A 28 -0.412 0.321 -9.309 1.00 0.00 C ATOM 409 O ILE A 28 0.054 1.225 -10.002 1.00 0.00 O ATOM 410 CB ILE A 28 -2.893 0.051 -9.301 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.083 -0.283 -7.820 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.060 -0.477 -10.122 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.164 0.535 -7.150 1.00 0.00 C ATOM 0 H ILE A 28 -2.049 -2.230 -8.678 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.572 -0.526 -10.906 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.859 1.135 -9.409 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.327 -1.341 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.141 -0.123 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.991 -0.053 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.928 -0.194 -11.166 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.099 -1.563 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.243 0.245 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.912 1.594 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.117 0.357 -7.649 1.00 0.00 H new ATOM 425 N ARG A 29 0.046 0.029 -8.096 1.00 0.00 N ATOM 426 CA ARG A 29 1.146 0.773 -7.495 1.00 0.00 C ATOM 427 C ARG A 29 2.196 -0.176 -6.924 1.00 0.00 C ATOM 428 O ARG A 29 2.161 -0.546 -5.750 1.00 0.00 O ATOM 429 CB ARG A 29 0.624 1.696 -6.393 1.00 0.00 C ATOM 430 CG ARG A 29 -0.688 2.379 -6.741 1.00 0.00 C ATOM 431 CD ARG A 29 -0.455 3.713 -7.435 1.00 0.00 C ATOM 432 NE ARG A 29 0.388 3.574 -8.619 1.00 0.00 N ATOM 433 CZ ARG A 29 1.058 4.581 -9.166 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.985 5.795 -8.638 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.805 4.376 -10.244 1.00 0.00 N ATOM 0 H ARG A 29 -0.328 -0.718 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 29 1.612 1.377 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.491 1.117 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.375 2.457 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.277 1.729 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.269 2.537 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.414 4.145 -7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.012 4.408 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 29 0.466 2.653 -9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.413 5.957 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.501 6.567 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.865 3.444 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.319 5.151 -10.663 1.00 0.00 H new ATOM 449 N PRO A 30 3.153 -0.580 -7.773 1.00 0.00 N ATOM 450 CA PRO A 30 4.231 -1.491 -7.375 1.00 0.00 C ATOM 451 C PRO A 30 5.220 -0.835 -6.418 1.00 0.00 C ATOM 452 O PRO A 30 5.524 0.351 -6.540 1.00 0.00 O ATOM 453 CB PRO A 30 4.915 -1.831 -8.701 1.00 0.00 C ATOM 454 CG PRO A 30 4.619 -0.672 -9.588 1.00 0.00 C ATOM 455 CD PRO A 30 3.257 -0.179 -9.186 1.00 0.00 C ATOM 0 HA PRO A 30 3.852 -2.362 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.989 -1.965 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.527 -2.759 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.368 0.111 -9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.632 -0.970 -10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.169 0.901 -9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.471 -0.631 -9.791 1.00 0.00 H new ATOM 463 N GLY A 31 5.720 -1.615 -5.464 1.00 0.00 N ATOM 464 CA GLY A 31 6.671 -1.092 -4.500 1.00 0.00 C ATOM 465 C GLY A 31 6.003 -0.273 -3.414 1.00 0.00 C ATOM 466 O GLY A 31 6.236 0.931 -3.302 1.00 0.00 O ATOM 0 H GLY A 31 5.483 -2.600 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.215 -1.920 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.406 -0.474 -5.017 1.00 0.00 H new ATOM 470 N LEU A 32 5.169 -0.925 -2.611 1.00 0.00 N ATOM 471 CA LEU A 32 4.463 -0.249 -1.528 1.00 0.00 C ATOM 472 C LEU A 32 5.087 -0.587 -0.177 1.00 0.00 C ATOM 473 O LEU A 32 5.693 -1.645 -0.011 1.00 0.00 O ATOM 474 CB LEU A 32 2.985 -0.642 -1.533 1.00 0.00 C ATOM 475 CG LEU A 32 2.168 -0.169 -2.735 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.995 -1.103 -2.985 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.681 1.257 -2.521 1.00 0.00 C ATOM 0 H LEU A 32 4.965 -1.921 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 32 4.547 0.826 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.919 -1.729 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.522 -0.249 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 32 2.811 -0.184 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.425 -0.750 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.366 -2.108 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.351 -1.122 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.101 1.577 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.055 1.298 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.538 1.919 -2.393 1.00 0.00 H new ATOM 489 N GLN A 33 4.932 0.319 0.783 1.00 0.00 N ATOM 490 CA GLN A 33 5.479 0.116 2.119 1.00 0.00 C ATOM 491 C GLN A 33 4.417 0.365 3.186 1.00 0.00 C ATOM 492 O GLN A 33 4.035 1.508 3.439 1.00 0.00 O ATOM 493 CB GLN A 33 6.676 1.039 2.349 1.00 0.00 C ATOM 494 CG GLN A 33 6.325 2.517 2.290 1.00 0.00 C ATOM 495 CD GLN A 33 7.540 3.397 2.072 1.00 0.00 C ATOM 496 OE1 GLN A 33 8.269 3.238 1.093 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.765 4.333 2.987 1.00 0.00 N ATOM 0 H GLN A 33 4.433 1.200 0.661 1.00 0.00 H new ATOM 0 HA GLN A 33 5.809 -0.920 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.114 0.817 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.438 0.825 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.610 2.685 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.833 2.807 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.135 4.430 3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.568 4.955 2.894 1.00 0.00 H new ATOM 506 N TYR A 34 3.945 -0.710 3.806 1.00 0.00 N ATOM 507 CA TYR A 34 2.926 -0.608 4.843 1.00 0.00 C ATOM 508 C TYR A 34 3.562 -0.394 6.214 1.00 0.00 C ATOM 509 O TYR A 34 4.617 -0.951 6.515 1.00 0.00 O ATOM 510 CB TYR A 34 2.059 -1.868 4.862 1.00 0.00 C ATOM 511 CG TYR A 34 1.497 -2.237 3.508 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.258 -2.950 2.589 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.207 -1.872 3.145 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.750 -3.289 1.350 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.310 -2.207 1.909 1.00 0.00 C ATOM 516 CZ TYR A 34 0.465 -2.916 1.015 1.00 0.00 C ATOM 517 OH TYR A 34 -0.046 -3.251 -0.218 1.00 0.00 O ATOM 0 H TYR A 34 4.252 -1.662 3.608 1.00 0.00 H new ATOM 0 HA TYR A 34 2.298 0.254 4.615 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.652 -2.701 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.235 -1.721 5.560 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.264 -3.244 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.403 -1.316 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.355 -3.843 0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.316 -1.915 1.644 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.017 -3.365 -0.150 1.00 0.00 H new ATOM 527 N LYS A 35 2.911 0.417 7.041 1.00 0.00 N ATOM 528 CA LYS A 35 3.409 0.705 8.380 1.00 0.00 C ATOM 529 C LYS A 35 2.310 0.517 9.421 1.00 0.00 C ATOM 530 O LYS A 35 1.147 0.840 9.177 1.00 0.00 O ATOM 531 CB LYS A 35 3.952 2.134 8.448 1.00 0.00 C ATOM 532 CG LYS A 35 4.742 2.544 7.218 1.00 0.00 C ATOM 533 CD LYS A 35 3.845 3.162 6.159 1.00 0.00 C ATOM 534 CE LYS A 35 3.507 4.608 6.490 1.00 0.00 C ATOM 535 NZ LYS A 35 4.622 5.532 6.143 1.00 0.00 N ATOM 0 H LYS A 35 2.036 0.887 6.807 1.00 0.00 H new ATOM 0 HA LYS A 35 4.216 0.006 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.119 2.824 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.589 2.230 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.515 3.258 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.249 1.673 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.340 3.116 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.926 2.582 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.608 4.904 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.282 4.694 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.352 6.507 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.473 5.266 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.821 5.469 5.124 1.00 0.00 H new ATOM 549 N LEU A 36 2.686 -0.006 10.583 1.00 0.00 N ATOM 550 CA LEU A 36 1.733 -0.235 11.663 1.00 0.00 C ATOM 551 C LEU A 36 1.732 0.931 12.646 1.00 0.00 C ATOM 552 O LEU A 36 2.589 1.016 13.526 1.00 0.00 O ATOM 553 CB LEU A 36 2.066 -1.535 12.397 1.00 0.00 C ATOM 554 CG LEU A 36 0.925 -2.168 13.194 1.00 0.00 C ATOM 555 CD1 LEU A 36 -0.079 -2.823 12.259 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.468 -3.181 14.191 1.00 0.00 C ATOM 0 H LEU A 36 3.644 -0.279 10.801 1.00 0.00 H new ATOM 0 HA LEU A 36 0.739 -0.317 11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.418 -2.262 11.665 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.895 -1.342 13.078 1.00 0.00 H new ATOM 0 HG LEU A 36 0.414 -1.381 13.749 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.884 -3.268 12.844 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.492 -2.072 11.585 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.418 -3.599 11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.642 -3.621 14.749 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.004 -3.966 13.657 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.148 -2.683 14.882 1.00 0.00 H new ATOM 568 N LEU A 37 0.763 1.827 12.492 1.00 0.00 N ATOM 569 CA LEU A 37 0.649 2.989 13.367 1.00 0.00 C ATOM 570 C LEU A 37 0.826 2.589 14.828 1.00 0.00 C ATOM 571 O LEU A 37 1.713 3.093 15.517 1.00 0.00 O ATOM 572 CB LEU A 37 -0.709 3.667 13.173 1.00 0.00 C ATOM 573 CG LEU A 37 -0.930 4.351 11.824 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.356 4.870 11.716 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.067 5.484 11.631 1.00 0.00 C ATOM 0 H LEU A 37 0.045 1.771 11.770 1.00 0.00 H new ATOM 0 HA LEU A 37 1.440 3.691 13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.489 2.919 13.311 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.838 4.410 13.960 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.772 3.616 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.495 5.354 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.054 4.038 11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.542 5.591 12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.105 5.960 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.060 6.219 12.425 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.081 5.086 11.664 1.00 0.00 H new ATOM 587 N SER A 38 -0.023 1.678 15.294 1.00 0.00 N ATOM 588 CA SER A 38 0.039 1.211 16.674 1.00 0.00 C ATOM 589 C SER A 38 -0.872 0.005 16.881 1.00 0.00 C ATOM 590 O SER A 38 -1.828 -0.199 16.133 1.00 0.00 O ATOM 591 CB SER A 38 -0.359 2.335 17.634 1.00 0.00 C ATOM 592 OG SER A 38 -0.491 1.851 18.959 1.00 0.00 O ATOM 0 H SER A 38 -0.761 1.249 14.736 1.00 0.00 H new ATOM 0 HA SER A 38 1.065 0.910 16.883 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.392 3.125 17.605 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.301 2.778 17.310 1.00 0.00 H new ATOM 0 HG SER A 38 -0.744 2.588 19.553 1.00 0.00 H new ATOM 598 N GLN A 39 -0.567 -0.791 17.901 1.00 0.00 N ATOM 599 CA GLN A 39 -1.358 -1.978 18.206 1.00 0.00 C ATOM 600 C GLN A 39 -1.916 -1.911 19.623 1.00 0.00 C ATOM 601 O GLN A 39 -1.183 -1.653 20.578 1.00 0.00 O ATOM 602 CB GLN A 39 -0.509 -3.239 18.038 1.00 0.00 C ATOM 603 CG GLN A 39 -1.270 -4.526 18.312 1.00 0.00 C ATOM 604 CD GLN A 39 -1.210 -4.941 19.768 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.205 -4.726 20.446 1.00 0.00 O ATOM 606 NE2 GLN A 39 -2.289 -5.541 20.258 1.00 0.00 N ATOM 0 H GLN A 39 0.221 -0.636 18.530 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.194 -2.016 17.508 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.115 -3.269 17.022 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.347 -3.183 18.710 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.312 -4.397 18.018 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.860 -5.325 17.693 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.100 -5.699 19.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.306 -5.843 21.232 1.00 0.00 H new ATOM 615 N SER A 40 -3.218 -2.145 19.753 1.00 0.00 N ATOM 616 CA SER A 40 -3.875 -2.107 21.055 1.00 0.00 C ATOM 617 C SER A 40 -4.811 -3.300 21.226 1.00 0.00 C ATOM 618 O SER A 40 -5.397 -3.787 20.260 1.00 0.00 O ATOM 619 CB SER A 40 -4.658 -0.803 21.216 1.00 0.00 C ATOM 620 OG SER A 40 -3.845 0.215 21.774 1.00 0.00 O ATOM 0 H SER A 40 -3.839 -2.363 18.973 1.00 0.00 H new ATOM 0 HA SER A 40 -3.105 -2.158 21.825 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.036 -0.480 20.246 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.524 -0.972 21.855 1.00 0.00 H new ATOM 0 HG SER A 40 -4.368 1.039 21.865 1.00 0.00 H new ATOM 626 N GLY A 41 -4.945 -3.766 22.464 1.00 0.00 N ATOM 627 CA GLY A 41 -5.810 -4.898 22.740 1.00 0.00 C ATOM 628 C GLY A 41 -5.072 -6.043 23.406 1.00 0.00 C ATOM 629 O GLY A 41 -3.920 -5.909 23.821 1.00 0.00 O ATOM 0 H GLY A 41 -4.470 -3.380 23.280 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.630 -4.576 23.382 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.253 -5.249 21.808 1.00 0.00 H new ATOM 633 N PRO A 42 -5.742 -7.199 23.517 1.00 0.00 N ATOM 634 CA PRO A 42 -5.162 -8.394 24.138 1.00 0.00 C ATOM 635 C PRO A 42 -4.052 -9.006 23.292 1.00 0.00 C ATOM 636 O PRO A 42 -3.704 -8.482 22.233 1.00 0.00 O ATOM 637 CB PRO A 42 -6.350 -9.354 24.238 1.00 0.00 C ATOM 638 CG PRO A 42 -7.279 -8.921 23.157 1.00 0.00 C ATOM 639 CD PRO A 42 -7.118 -7.430 23.045 1.00 0.00 C ATOM 0 HA PRO A 42 -4.696 -8.169 25.098 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.036 -10.388 24.099 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.826 -9.294 25.217 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.036 -9.412 22.214 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.309 -9.185 23.398 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.254 -7.087 22.019 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.847 -6.900 23.658 1.00 0.00 H new ATOM 647 N VAL A 43 -3.498 -10.118 23.764 1.00 0.00 N ATOM 648 CA VAL A 43 -2.428 -10.803 23.050 1.00 0.00 C ATOM 649 C VAL A 43 -2.989 -11.802 22.044 1.00 0.00 C ATOM 650 O VAL A 43 -2.311 -12.188 21.092 1.00 0.00 O ATOM 651 CB VAL A 43 -1.488 -11.542 24.021 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.190 -12.743 24.634 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.213 -11.966 23.308 1.00 0.00 C ATOM 0 H VAL A 43 -3.773 -10.564 24.639 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.862 -10.037 22.520 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.217 -10.860 24.827 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.510 -13.252 25.317 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.071 -12.409 25.181 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.492 -13.430 23.844 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.440 -12.487 24.009 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.462 -12.631 22.481 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.299 -11.084 22.922 1.00 0.00 H new ATOM 663 N HIS A 44 -4.233 -12.217 22.263 1.00 0.00 N ATOM 664 CA HIS A 44 -4.887 -13.172 21.375 1.00 0.00 C ATOM 665 C HIS A 44 -5.782 -12.453 20.369 1.00 0.00 C ATOM 666 O HIS A 44 -6.005 -12.942 19.262 1.00 0.00 O ATOM 667 CB HIS A 44 -5.712 -14.172 22.185 1.00 0.00 C ATOM 668 CG HIS A 44 -6.810 -13.536 22.982 1.00 0.00 C ATOM 669 ND1 HIS A 44 -6.610 -12.978 24.227 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.124 -13.370 22.703 1.00 0.00 C ATOM 671 CE1 HIS A 44 -7.754 -12.498 24.680 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.689 -12.723 23.775 1.00 0.00 N ATOM 0 H HIS A 44 -4.808 -11.907 23.047 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.113 -13.710 20.828 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.145 -14.907 21.507 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.050 -14.713 22.861 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.633 -13.687 21.805 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.900 -12.005 25.630 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.671 -12.459 23.858 1.00 0.00 H new ATOM 681 N ALA A 45 -6.291 -11.290 20.763 1.00 0.00 N ATOM 682 CA ALA A 45 -7.160 -10.504 19.895 1.00 0.00 C ATOM 683 C ALA A 45 -6.635 -9.081 19.737 1.00 0.00 C ATOM 684 O ALA A 45 -7.354 -8.103 19.942 1.00 0.00 O ATOM 685 CB ALA A 45 -8.579 -10.488 20.444 1.00 0.00 C ATOM 0 H ALA A 45 -6.117 -10.872 21.677 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.169 -10.971 18.910 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.217 -9.898 19.786 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.959 -11.508 20.499 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.579 -10.047 21.441 1.00 0.00 H new ATOM 691 N PRO A 46 -5.352 -8.960 19.365 1.00 0.00 N ATOM 692 CA PRO A 46 -4.703 -7.660 19.172 1.00 0.00 C ATOM 693 C PRO A 46 -5.231 -6.926 17.944 1.00 0.00 C ATOM 694 O PRO A 46 -5.756 -7.542 17.017 1.00 0.00 O ATOM 695 CB PRO A 46 -3.228 -8.024 18.984 1.00 0.00 C ATOM 696 CG PRO A 46 -3.246 -9.421 18.467 1.00 0.00 C ATOM 697 CD PRO A 46 -4.437 -10.083 19.103 1.00 0.00 C ATOM 0 HA PRO A 46 -4.886 -6.985 20.008 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.740 -7.348 18.282 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.681 -7.957 19.924 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.327 -9.434 17.380 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.325 -9.944 18.724 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.887 -10.822 18.440 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.165 -10.602 20.022 1.00 0.00 H new ATOM 705 N VAL A 47 -5.088 -5.604 17.944 1.00 0.00 N ATOM 706 CA VAL A 47 -5.549 -4.785 16.829 1.00 0.00 C ATOM 707 C VAL A 47 -4.374 -4.178 16.070 1.00 0.00 C ATOM 708 O VAL A 47 -3.769 -3.204 16.518 1.00 0.00 O ATOM 709 CB VAL A 47 -6.475 -3.653 17.310 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.901 -2.778 16.140 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.689 -4.226 18.026 1.00 0.00 C ATOM 0 H VAL A 47 -4.657 -5.078 18.704 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.107 -5.443 16.163 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.924 -3.032 18.016 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.555 -1.983 16.499 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.019 -2.339 15.674 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.435 -3.384 15.408 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.333 -3.412 18.359 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.243 -4.871 17.344 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.362 -4.807 18.889 1.00 0.00 H new ATOM 721 N PHE A 48 -4.056 -4.760 14.919 1.00 0.00 N ATOM 722 CA PHE A 48 -2.953 -4.277 14.097 1.00 0.00 C ATOM 723 C PHE A 48 -3.418 -3.165 13.162 1.00 0.00 C ATOM 724 O PHE A 48 -4.052 -3.422 12.137 1.00 0.00 O ATOM 725 CB PHE A 48 -2.354 -5.426 13.282 1.00 0.00 C ATOM 726 CG PHE A 48 -1.463 -6.329 14.086 1.00 0.00 C ATOM 727 CD1 PHE A 48 -2.000 -7.349 14.855 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.088 -6.159 14.071 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.182 -8.181 15.596 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.735 -6.989 14.810 1.00 0.00 C ATOM 731 CZ PHE A 48 0.187 -8.001 15.572 1.00 0.00 C ATOM 0 H PHE A 48 -4.547 -5.567 14.534 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.188 -3.874 14.761 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.163 -6.016 12.852 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.784 -5.012 12.450 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.070 -7.496 14.876 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.346 -5.369 13.475 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.613 -8.971 16.193 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.805 -6.846 14.791 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.828 -8.651 16.149 1.00 0.00 H new ATOM 741 N THR A 49 -3.099 -1.925 13.521 1.00 0.00 N ATOM 742 CA THR A 49 -3.484 -0.773 12.717 1.00 0.00 C ATOM 743 C THR A 49 -2.425 -0.455 11.668 1.00 0.00 C ATOM 744 O THR A 49 -1.347 0.043 11.991 1.00 0.00 O ATOM 745 CB THR A 49 -3.711 0.474 13.594 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.727 0.209 14.568 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.116 1.667 12.743 1.00 0.00 C ATOM 0 H THR A 49 -2.574 -1.694 14.365 1.00 0.00 H new ATOM 0 HA THR A 49 -4.418 -1.034 12.219 1.00 0.00 H new ATOM 0 HB THR A 49 -2.775 0.710 14.101 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.864 1.005 15.122 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.271 2.535 13.384 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.328 1.884 12.022 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.040 1.438 12.212 1.00 0.00 H new ATOM 755 N MET A 50 -2.740 -0.747 10.410 1.00 0.00 N ATOM 756 CA MET A 50 -1.814 -0.491 9.312 1.00 0.00 C ATOM 757 C MET A 50 -2.119 0.847 8.646 1.00 0.00 C ATOM 758 O MET A 50 -3.177 1.435 8.867 1.00 0.00 O ATOM 759 CB MET A 50 -1.890 -1.617 8.279 1.00 0.00 C ATOM 760 CG MET A 50 -0.926 -2.759 8.554 1.00 0.00 C ATOM 761 SD MET A 50 0.757 -2.391 8.020 1.00 0.00 S ATOM 762 CE MET A 50 1.700 -3.437 9.127 1.00 0.00 C ATOM 0 H MET A 50 -3.628 -1.160 10.126 1.00 0.00 H new ATOM 0 HA MET A 50 -0.805 -0.452 9.722 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.907 -2.009 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.682 -1.207 7.291 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.924 -2.979 9.622 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.277 -3.656 8.044 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.478 -2.847 9.610 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.038 -3.855 9.885 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.159 -4.247 8.560 1.00 0.00 H new ATOM 772 N SER A 51 -1.184 1.323 7.830 1.00 0.00 N ATOM 773 CA SER A 51 -1.351 2.594 7.134 1.00 0.00 C ATOM 774 C SER A 51 -0.500 2.637 5.869 1.00 0.00 C ATOM 775 O SER A 51 0.645 2.185 5.861 1.00 0.00 O ATOM 776 CB SER A 51 -0.975 3.757 8.055 1.00 0.00 C ATOM 777 OG SER A 51 0.432 3.889 8.162 1.00 0.00 O ATOM 0 H SER A 51 -0.303 0.848 7.634 1.00 0.00 H new ATOM 0 HA SER A 51 -2.399 2.689 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.402 4.683 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.404 3.595 9.044 1.00 0.00 H new ATOM 0 HG SER A 51 0.820 3.036 8.450 1.00 0.00 H new ATOM 783 N VAL A 52 -1.068 3.186 4.800 1.00 0.00 N ATOM 784 CA VAL A 52 -0.362 3.290 3.528 1.00 0.00 C ATOM 785 C VAL A 52 -0.656 4.620 2.844 1.00 0.00 C ATOM 786 O VAL A 52 -1.718 5.211 3.042 1.00 0.00 O ATOM 787 CB VAL A 52 -0.746 2.140 2.577 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.071 2.436 1.890 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.354 1.906 1.554 1.00 0.00 C ATOM 0 H VAL A 52 -2.015 3.566 4.789 1.00 0.00 H new ATOM 0 HA VAL A 52 0.703 3.227 3.751 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.864 1.229 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.326 1.613 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.853 2.550 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.984 3.357 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.066 1.090 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.506 2.813 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.280 1.646 2.068 1.00 0.00 H new ATOM 799 N ASP A 53 0.292 5.086 2.038 1.00 0.00 N ATOM 800 CA ASP A 53 0.135 6.347 1.322 1.00 0.00 C ATOM 801 C ASP A 53 0.039 6.110 -0.182 1.00 0.00 C ATOM 802 O ASP A 53 1.008 5.696 -0.818 1.00 0.00 O ATOM 803 CB ASP A 53 1.305 7.282 1.630 1.00 0.00 C ATOM 804 CG ASP A 53 2.650 6.603 1.458 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.153 6.564 0.316 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.199 6.112 2.466 1.00 0.00 O ATOM 0 H ASP A 53 1.177 4.610 1.864 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.791 6.814 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.254 8.151 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.214 7.648 2.653 1.00 0.00 H new ATOM 811 N VAL A 54 -1.136 6.374 -0.744 1.00 0.00 N ATOM 812 CA VAL A 54 -1.359 6.190 -2.173 1.00 0.00 C ATOM 813 C VAL A 54 -2.171 7.341 -2.755 1.00 0.00 C ATOM 814 O VAL A 54 -3.093 7.849 -2.117 1.00 0.00 O ATOM 815 CB VAL A 54 -2.089 4.864 -2.460 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.345 4.708 -3.952 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.288 3.688 -1.923 1.00 0.00 C ATOM 0 H VAL A 54 -1.949 6.716 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.378 6.166 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.052 4.881 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.861 3.766 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.962 5.535 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.395 4.712 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.818 2.760 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.310 3.664 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.161 3.796 -0.846 1.00 0.00 H new ATOM 827 N ASP A 55 -1.822 7.747 -3.971 1.00 0.00 N ATOM 828 CA ASP A 55 -2.520 8.838 -4.642 1.00 0.00 C ATOM 829 C ASP A 55 -2.670 10.039 -3.714 1.00 0.00 C ATOM 830 O ASP A 55 -3.675 10.748 -3.757 1.00 0.00 O ATOM 831 CB ASP A 55 -3.895 8.374 -5.122 1.00 0.00 C ATOM 832 CG ASP A 55 -4.879 8.201 -3.982 1.00 0.00 C ATOM 833 OD1 ASP A 55 -5.512 9.203 -3.587 1.00 0.00 O ATOM 834 OD2 ASP A 55 -5.016 7.064 -3.484 1.00 0.00 O ATOM 0 H ASP A 55 -1.060 7.337 -4.512 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.926 9.140 -5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.292 9.098 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.791 7.429 -5.654 1.00 0.00 H new ATOM 839 N GLY A 56 -1.664 10.261 -2.873 1.00 0.00 N ATOM 840 CA GLY A 56 -1.705 11.376 -1.945 1.00 0.00 C ATOM 841 C GLY A 56 -2.799 11.226 -0.907 1.00 0.00 C ATOM 842 O GLY A 56 -3.320 12.218 -0.395 1.00 0.00 O ATOM 0 H GLY A 56 -0.822 9.689 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.741 11.462 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.859 12.301 -2.500 1.00 0.00 H new ATOM 846 N THR A 57 -3.150 9.983 -0.594 1.00 0.00 N ATOM 847 CA THR A 57 -4.192 9.707 0.387 1.00 0.00 C ATOM 848 C THR A 57 -3.732 8.661 1.397 1.00 0.00 C ATOM 849 O THR A 57 -3.550 7.491 1.057 1.00 0.00 O ATOM 850 CB THR A 57 -5.486 9.216 -0.289 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.913 10.164 -1.273 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.589 9.012 0.738 1.00 0.00 C ATOM 0 H THR A 57 -2.728 9.151 -1.006 1.00 0.00 H new ATOM 0 HA THR A 57 -4.395 10.645 0.904 1.00 0.00 H new ATOM 0 HB THR A 57 -5.279 8.260 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.124 9.696 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.493 8.665 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.272 8.269 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.794 9.955 1.244 1.00 0.00 H new ATOM 860 N THR A 58 -3.546 9.089 2.642 1.00 0.00 N ATOM 861 CA THR A 58 -3.107 8.189 3.701 1.00 0.00 C ATOM 862 C THR A 58 -4.268 7.357 4.232 1.00 0.00 C ATOM 863 O THR A 58 -5.181 7.882 4.869 1.00 0.00 O ATOM 864 CB THR A 58 -2.471 8.966 4.870 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.355 9.730 4.400 1.00 0.00 O ATOM 866 CG2 THR A 58 -2.015 8.016 5.967 1.00 0.00 C ATOM 0 H THR A 58 -3.693 10.053 2.941 1.00 0.00 H new ATOM 0 HA THR A 58 -2.359 7.527 3.264 1.00 0.00 H new ATOM 0 HB THR A 58 -3.223 9.638 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.957 10.222 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.569 8.588 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.871 7.456 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.277 7.323 5.564 1.00 0.00 H new ATOM 874 N TYR A 59 -4.227 6.056 3.966 1.00 0.00 N ATOM 875 CA TYR A 59 -5.277 5.150 4.416 1.00 0.00 C ATOM 876 C TYR A 59 -4.895 4.483 5.733 1.00 0.00 C ATOM 877 O TYR A 59 -3.714 4.293 6.025 1.00 0.00 O ATOM 878 CB TYR A 59 -5.551 4.085 3.353 1.00 0.00 C ATOM 879 CG TYR A 59 -6.008 4.654 2.029 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.088 5.087 1.082 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.360 4.757 1.724 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.502 5.609 -0.129 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.782 5.275 0.515 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.849 5.700 -0.407 1.00 0.00 C ATOM 885 OH TYR A 59 -7.265 6.218 -1.613 1.00 0.00 O ATOM 0 H TYR A 59 -3.478 5.605 3.441 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.182 5.736 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.645 3.501 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.311 3.399 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.032 5.014 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.093 4.426 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.774 5.944 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.837 5.347 0.293 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.483 6.464 -2.150 1.00 0.00 H new ATOM 895 N GLU A 60 -5.902 4.130 6.525 1.00 0.00 N ATOM 896 CA GLU A 60 -5.672 3.485 7.812 1.00 0.00 C ATOM 897 C GLU A 60 -6.726 2.414 8.080 1.00 0.00 C ATOM 898 O GLU A 60 -7.915 2.710 8.182 1.00 0.00 O ATOM 899 CB GLU A 60 -5.685 4.521 8.937 1.00 0.00 C ATOM 900 CG GLU A 60 -4.752 5.696 8.694 1.00 0.00 C ATOM 901 CD GLU A 60 -5.203 6.956 9.406 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.868 6.838 10.457 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.891 8.060 8.914 1.00 0.00 O ATOM 0 H GLU A 60 -6.885 4.280 6.298 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.693 3.007 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.701 4.895 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.406 4.034 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.748 5.433 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.690 5.891 7.623 1.00 0.00 H new ATOM 910 N ALA A 61 -6.278 1.167 8.193 1.00 0.00 N ATOM 911 CA ALA A 61 -7.181 0.052 8.450 1.00 0.00 C ATOM 912 C ALA A 61 -6.578 -0.922 9.456 1.00 0.00 C ATOM 913 O ALA A 61 -5.460 -1.405 9.273 1.00 0.00 O ATOM 914 CB ALA A 61 -7.515 -0.667 7.151 1.00 0.00 C ATOM 0 H ALA A 61 -5.296 0.904 8.111 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.100 0.452 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.190 -1.497 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.996 0.029 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.599 -1.048 6.700 1.00 0.00 H new ATOM 920 N SER A 62 -7.323 -1.206 10.519 1.00 0.00 N ATOM 921 CA SER A 62 -6.859 -2.119 11.557 1.00 0.00 C ATOM 922 C SER A 62 -7.596 -3.452 11.476 1.00 0.00 C ATOM 923 O SER A 62 -8.808 -3.493 11.265 1.00 0.00 O ATOM 924 CB SER A 62 -7.059 -1.496 12.940 1.00 0.00 C ATOM 925 OG SER A 62 -6.937 -0.085 12.886 1.00 0.00 O ATOM 0 H SER A 62 -8.251 -0.817 10.684 1.00 0.00 H new ATOM 0 HA SER A 62 -5.796 -2.301 11.398 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.043 -1.765 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.324 -1.901 13.635 1.00 0.00 H new ATOM 0 HG SER A 62 -6.234 0.206 13.504 1.00 0.00 H new ATOM 931 N GLY A 63 -6.854 -4.543 11.646 1.00 0.00 N ATOM 932 CA GLY A 63 -7.453 -5.864 11.589 1.00 0.00 C ATOM 933 C GLY A 63 -6.994 -6.758 12.724 1.00 0.00 C ATOM 934 O GLY A 63 -6.292 -6.325 13.639 1.00 0.00 O ATOM 0 H GLY A 63 -5.849 -4.535 11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.538 -5.769 11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.202 -6.333 10.637 1.00 0.00 H new ATOM 938 N PRO A 64 -7.394 -8.037 12.673 1.00 0.00 N ATOM 939 CA PRO A 64 -7.032 -9.021 13.698 1.00 0.00 C ATOM 940 C PRO A 64 -5.551 -9.381 13.658 1.00 0.00 C ATOM 941 O PRO A 64 -4.982 -9.823 14.656 1.00 0.00 O ATOM 942 CB PRO A 64 -7.888 -10.238 13.340 1.00 0.00 C ATOM 943 CG PRO A 64 -8.152 -10.099 11.880 1.00 0.00 C ATOM 944 CD PRO A 64 -8.232 -8.621 11.612 1.00 0.00 C ATOM 0 HA PRO A 64 -7.205 -8.643 14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.365 -11.169 13.561 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.817 -10.251 13.911 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.356 -10.559 11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.081 -10.597 11.602 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.856 -8.371 10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.258 -8.258 11.665 1.00 0.00 H new ATOM 952 N SER A 65 -4.931 -9.187 12.498 1.00 0.00 N ATOM 953 CA SER A 65 -3.516 -9.495 12.327 1.00 0.00 C ATOM 954 C SER A 65 -2.886 -8.590 11.272 1.00 0.00 C ATOM 955 O SER A 65 -3.577 -7.818 10.607 1.00 0.00 O ATOM 956 CB SER A 65 -3.335 -10.962 11.930 1.00 0.00 C ATOM 957 OG SER A 65 -3.613 -11.823 13.021 1.00 0.00 O ATOM 0 H SER A 65 -5.386 -8.818 11.663 1.00 0.00 H new ATOM 0 HA SER A 65 -3.014 -9.319 13.279 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.996 -11.201 11.097 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.314 -11.125 11.584 1.00 0.00 H new ATOM 0 HG SER A 65 -3.960 -11.298 13.772 1.00 0.00 H new ATOM 963 N LYS A 66 -1.570 -8.691 11.125 1.00 0.00 N ATOM 964 CA LYS A 66 -0.845 -7.884 10.151 1.00 0.00 C ATOM 965 C LYS A 66 -1.370 -8.130 8.741 1.00 0.00 C ATOM 966 O LYS A 66 -1.834 -7.208 8.070 1.00 0.00 O ATOM 967 CB LYS A 66 0.652 -8.198 10.211 1.00 0.00 C ATOM 968 CG LYS A 66 1.534 -7.044 9.766 1.00 0.00 C ATOM 969 CD LYS A 66 2.883 -7.072 10.466 1.00 0.00 C ATOM 970 CE LYS A 66 2.751 -6.738 11.944 1.00 0.00 C ATOM 971 NZ LYS A 66 4.071 -6.438 12.564 1.00 0.00 N ATOM 0 H LYS A 66 -0.983 -9.324 11.668 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.001 -6.834 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.916 -8.473 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.858 -9.065 9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.682 -7.093 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.033 -6.099 9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.332 -8.059 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.556 -6.359 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.089 -5.880 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.286 -7.575 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.939 -6.215 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.694 -7.265 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.503 -5.623 12.083 1.00 0.00 H new ATOM 985 N LYS A 67 -1.297 -9.380 8.297 1.00 0.00 N ATOM 986 CA LYS A 67 -1.768 -9.749 6.967 1.00 0.00 C ATOM 987 C LYS A 67 -3.103 -9.080 6.658 1.00 0.00 C ATOM 988 O LYS A 67 -3.234 -8.360 5.667 1.00 0.00 O ATOM 989 CB LYS A 67 -1.909 -11.269 6.857 1.00 0.00 C ATOM 990 CG LYS A 67 -2.736 -11.885 7.973 1.00 0.00 C ATOM 991 CD LYS A 67 -2.346 -13.333 8.222 1.00 0.00 C ATOM 992 CE LYS A 67 -3.062 -14.275 7.266 1.00 0.00 C ATOM 993 NZ LYS A 67 -2.326 -14.424 5.980 1.00 0.00 N ATOM 0 H LYS A 67 -0.916 -10.155 8.839 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.033 -9.405 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.367 -11.515 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.916 -11.719 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.601 -11.308 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.794 -11.831 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.268 -13.446 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.586 -13.604 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.175 -15.252 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.066 -13.898 7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.634 -15.295 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.525 -13.606 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.304 -14.475 6.168 1.00 0.00 H new ATOM 1007 N THR A 68 -4.093 -9.321 7.512 1.00 0.00 N ATOM 1008 CA THR A 68 -5.418 -8.742 7.330 1.00 0.00 C ATOM 1009 C THR A 68 -5.346 -7.222 7.238 1.00 0.00 C ATOM 1010 O THR A 68 -5.726 -6.633 6.227 1.00 0.00 O ATOM 1011 CB THR A 68 -6.364 -9.132 8.481 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.758 -8.818 9.740 1.00 0.00 O ATOM 1013 CG2 THR A 68 -6.699 -10.615 8.428 1.00 0.00 C ATOM 0 H THR A 68 -4.002 -9.914 8.337 1.00 0.00 H new ATOM 0 HA THR A 68 -5.812 -9.141 6.395 1.00 0.00 H new ATOM 0 HB THR A 68 -7.288 -8.564 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.792 -8.707 9.619 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.368 -10.866 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.187 -10.844 7.481 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.782 -11.198 8.515 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.855 -6.593 8.301 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.730 -5.141 8.339 1.00 0.00 C ATOM 1023 C ALA A 69 -4.224 -4.599 7.007 1.00 0.00 C ATOM 1024 O ALA A 69 -4.877 -3.768 6.374 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.803 -4.720 9.469 1.00 0.00 C ATOM 0 H ALA A 69 -4.537 -7.066 9.147 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.719 -4.721 8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.719 -3.633 9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.208 -5.067 10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.817 -5.158 9.313 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.057 -5.072 6.585 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.462 -4.636 5.328 1.00 0.00 C ATOM 1033 C LYS A 70 -3.460 -4.764 4.181 1.00 0.00 C ATOM 1034 O LYS A 70 -3.495 -3.925 3.279 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.208 -5.457 5.021 1.00 0.00 C ATOM 1036 CG LYS A 70 0.067 -4.856 5.587 1.00 0.00 C ATOM 1037 CD LYS A 70 1.153 -5.906 5.754 1.00 0.00 C ATOM 1038 CE LYS A 70 1.857 -6.192 4.436 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.252 -6.670 4.646 1.00 0.00 N ATOM 0 H LYS A 70 -2.503 -5.759 7.097 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.185 -3.587 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.335 -6.462 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.104 -5.556 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.422 -4.066 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.145 -4.394 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.881 -5.565 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.715 -6.826 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.296 -6.942 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.870 -5.288 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.698 -6.854 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.795 -5.943 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.238 -7.547 5.205 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.269 -5.816 4.222 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.270 -6.052 3.187 1.00 0.00 C ATOM 1055 C LEU A 71 -6.406 -5.039 3.285 1.00 0.00 C ATOM 1056 O LEU A 71 -6.749 -4.379 2.305 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.826 -7.473 3.302 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.794 -7.906 2.201 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.032 -8.304 0.946 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.669 -9.054 2.682 1.00 0.00 C ATOM 0 H LEU A 71 -4.252 -6.519 4.960 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.787 -5.935 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.988 -8.170 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.334 -7.566 4.262 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.438 -7.061 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.738 -8.609 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.449 -7.455 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.363 -9.134 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.352 -9.349 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.040 -9.902 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.243 -8.734 3.552 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.984 -4.921 4.476 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.080 -3.985 4.704 1.00 0.00 C ATOM 1074 C HIS A 72 -7.761 -2.618 4.106 1.00 0.00 C ATOM 1075 O HIS A 72 -8.578 -2.035 3.394 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.358 -3.848 6.201 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.775 -5.130 6.853 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -8.573 -6.417 6.485 1.00 0.00 N flip ATOM 1079 CD2 HIS A 72 -9.493 -5.178 8.029 1.00 0.00 C flip ATOM 1080 CE1 HIS A 72 -9.165 -7.210 7.437 1.00 0.00 C flip ATOM 1081 NE2 HIS A 72 -9.713 -6.438 8.358 1.00 0.00 N flip ATOM 0 H HIS A 72 -6.712 -5.461 5.298 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.969 -4.378 4.211 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.462 -3.473 6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.140 -3.103 6.350 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.824 -4.319 8.593 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.180 -8.290 7.433 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.220 -6.760 9.183 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.567 -2.113 4.402 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.140 -0.815 3.894 1.00 0.00 C ATOM 1092 C VAL A 73 -6.306 -0.735 2.380 1.00 0.00 C ATOM 1093 O VAL A 73 -6.939 0.185 1.863 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.670 -0.527 4.253 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.121 0.601 3.394 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.539 -0.194 5.732 1.00 0.00 C ATOM 0 H VAL A 73 -5.879 -2.583 4.991 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.776 -0.066 4.367 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.083 -1.423 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.082 0.790 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.179 0.319 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.708 1.504 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.494 0.007 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.139 0.687 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.890 -1.037 6.327 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.734 -1.706 1.676 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.821 -1.747 0.221 1.00 0.00 C ATOM 1108 C ALA A 74 -7.263 -1.582 -0.247 1.00 0.00 C ATOM 1109 O ALA A 74 -7.550 -0.773 -1.130 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.240 -3.051 -0.305 1.00 0.00 C ATOM 0 H ALA A 74 -5.206 -2.474 2.089 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.240 -0.915 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.311 -3.069 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.194 -3.129 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.798 -3.891 0.109 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.167 -2.353 0.348 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.579 -2.291 -0.008 1.00 0.00 C ATOM 1118 C VAL A 75 -10.084 -0.853 -0.003 1.00 0.00 C ATOM 1119 O VAL A 75 -10.745 -0.412 -0.944 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.439 -3.129 0.957 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.899 -3.104 0.531 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.920 -4.557 1.029 1.00 0.00 C ATOM 0 H VAL A 75 -7.946 -3.029 1.080 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.670 -2.702 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.369 -2.691 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.491 -3.701 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.262 -2.076 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.992 -3.516 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.539 -5.135 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.958 -5.008 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.890 -4.552 1.386 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.769 -0.124 1.062 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.189 1.266 1.190 1.00 0.00 C ATOM 1134 C LYS A 76 -9.673 2.100 0.022 1.00 0.00 C ATOM 1135 O LYS A 76 -10.395 2.934 -0.525 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.685 1.853 2.511 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.262 1.171 3.739 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.555 1.616 5.008 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.177 2.882 5.577 1.00 0.00 C ATOM 1140 NZ LYS A 76 -9.580 4.109 4.982 1.00 0.00 N ATOM 0 H LYS A 76 -9.224 -0.473 1.850 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.279 1.293 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.598 1.778 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.932 2.914 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.326 1.397 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.173 0.090 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.603 0.820 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.500 1.791 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.251 2.874 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.041 2.899 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.597 4.878 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.597 3.917 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.128 4.391 4.144 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.420 1.868 -0.358 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.809 2.596 -1.463 1.00 0.00 C ATOM 1156 C VAL A 77 -8.596 2.397 -2.754 1.00 0.00 C ATOM 1157 O VAL A 77 -9.012 3.362 -3.396 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.352 2.154 -1.689 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.709 2.977 -2.795 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.555 2.265 -0.398 1.00 0.00 C ATOM 0 H VAL A 77 -7.809 1.181 0.084 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.822 3.652 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.352 1.109 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.679 2.650 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.267 2.841 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.719 4.031 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.527 1.948 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.562 3.299 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.004 1.627 0.363 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.796 1.138 -3.129 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.534 0.811 -4.344 1.00 0.00 C ATOM 1172 C LEU A 78 -10.906 1.477 -4.345 1.00 0.00 C ATOM 1173 O LEU A 78 -11.281 2.146 -5.308 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.691 -0.705 -4.476 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.401 -1.522 -4.402 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.708 -3.011 -4.452 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.456 -1.132 -5.529 1.00 0.00 C ATOM 0 H LEU A 78 -8.458 0.328 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.967 1.188 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.362 -1.051 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.178 -0.918 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.911 -1.305 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.778 -3.576 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.345 -3.280 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.222 -3.245 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.543 -1.724 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.938 -1.319 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.209 -0.074 -5.447 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.649 1.291 -3.259 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.979 1.876 -3.134 1.00 0.00 C ATOM 1191 C GLN A 79 -12.947 3.370 -3.438 1.00 0.00 C ATOM 1192 O GLN A 79 -13.717 3.862 -4.262 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.533 1.641 -1.728 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.864 0.186 -1.439 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.583 0.002 -0.117 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.813 0.000 -0.062 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -13.818 -0.153 0.957 1.00 0.00 N ATOM 0 H GLN A 79 -11.353 0.740 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.632 1.390 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.805 1.991 -0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.432 2.243 -1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.485 -0.208 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.943 -0.397 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.802 -0.145 0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.246 -0.280 1.874 1.00 0.00 H new ATOM 1206 N ALA A 80 -12.051 4.087 -2.767 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.918 5.524 -2.967 1.00 0.00 C ATOM 1208 C ALA A 80 -11.742 5.859 -4.444 1.00 0.00 C ATOM 1209 O ALA A 80 -12.466 6.690 -4.992 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.747 6.063 -2.158 1.00 0.00 C ATOM 0 H ALA A 80 -11.407 3.695 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.835 6.001 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.659 7.138 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.914 5.865 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.828 5.573 -2.478 1.00 0.00 H new ATOM 1216 N MET A 81 -10.776 5.208 -5.083 1.00 0.00 N ATOM 1217 CA MET A 81 -10.506 5.437 -6.498 1.00 0.00 C ATOM 1218 C MET A 81 -11.729 5.102 -7.346 1.00 0.00 C ATOM 1219 O MET A 81 -11.943 5.691 -8.404 1.00 0.00 O ATOM 1220 CB MET A 81 -9.310 4.599 -6.953 1.00 0.00 C ATOM 1221 CG MET A 81 -8.054 4.835 -6.129 1.00 0.00 C ATOM 1222 SD MET A 81 -6.543 4.516 -7.060 1.00 0.00 S ATOM 1223 CE MET A 81 -6.127 2.874 -6.476 1.00 0.00 C ATOM 0 H MET A 81 -10.167 4.518 -4.644 1.00 0.00 H new ATOM 0 HA MET A 81 -10.272 6.493 -6.631 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.576 3.543 -6.901 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.096 4.823 -7.998 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.046 5.865 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.076 4.193 -5.248 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.146 2.894 -6.001 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.874 2.545 -5.753 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.108 2.182 -7.318 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.529 4.151 -6.873 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.720 3.754 -7.600 1.00 0.00 C ATOM 1235 C GLY A 82 -13.594 2.371 -8.209 1.00 0.00 C ATOM 1236 O GLY A 82 -14.137 2.106 -9.282 1.00 0.00 O ATOM 0 H GLY A 82 -12.373 3.649 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.577 3.774 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.918 4.479 -8.390 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.873 1.489 -7.526 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.673 0.128 -8.008 1.00 0.00 C ATOM 1242 C TYR A 83 -13.491 -0.866 -7.188 1.00 0.00 C ATOM 1243 O TYR A 83 -13.734 -0.675 -5.997 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.191 -0.243 -7.949 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.382 0.308 -9.102 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.609 -0.123 -10.404 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.392 1.259 -8.890 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.873 0.378 -11.460 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.651 1.766 -9.940 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.895 1.322 -11.223 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.159 1.823 -12.272 1.00 0.00 O ATOM 0 H TYR A 83 -12.417 1.692 -6.636 1.00 0.00 H new ATOM 0 HA TYR A 83 -13.011 0.083 -9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.770 0.124 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.097 -1.329 -7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.374 -0.862 -10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.198 1.608 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.062 0.033 -12.466 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.885 2.505 -9.757 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.513 2.479 -11.935 1.00 0.00 H new