USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 633 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 91 TYR OH : rot 0:sc= -1.03 USER MOD Set 1.2: A 114 THR OG1 : rot -169:sc= 1.19 USER MOD Set 2.1: A 96 MET CE :methyl -140:sc= -3.1! (180deg=-4.35!) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 63 SER OG : rot 173:sc= 1.34 USER MOD Set 3.2: A 111 HIS : no HD1:sc= -3.27 K(o=-1.9,f=-2.8!) USER MOD Set 4.1: A 31 THR OG1 : rot -89:sc= 0.982 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -5.78! C(o=-4.8!,f=-9.2!) USER MOD Single : A 19 MET CE :methyl -147:sc= -11.2! (180deg=-12.3!) USER MOD Single : A 26 GLN : amide:sc=-0.00632 X(o=-0.0063,f=0) USER MOD Single : A 38 SER OG : rot -5:sc= 1.21 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00335 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -160:sc= 0.318 USER MOD Single : A 80 TYR OH : rot 158:sc= -1.03 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -3.7! C(o=-4.7!,f=-3.7!) USER MOD Single : A 89 THR OG1 : rot 68:sc= 0.352 USER MOD Single : A 90 MET CE :methyl -147:sc= -0.376 (180deg=-1.2!) USER MOD Single : A 94 SER OG : rot 82:sc= -0.411 USER MOD Single : A 99 LYS NZ :NH3+ -101:sc= -2.07! (180deg=-2.38!) USER MOD Single : A 100 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-0.56) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 140:sc= 0.0155 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 107 SER OG : rot 151:sc= -0.0951 USER MOD Single : A 108 MET CE :methyl -114:sc= -1.14 (180deg=-1.83) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -121:sc= -0.85 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.641 18.162 2.474 1.00 0.00 N ATOM 226 CA MET A 19 3.917 17.187 1.666 1.00 0.00 C ATOM 227 C MET A 19 2.929 16.400 2.520 1.00 0.00 C ATOM 228 O MET A 19 3.137 16.218 3.721 1.00 0.00 O ATOM 229 CB MET A 19 4.897 16.229 0.986 1.00 0.00 C ATOM 230 CG MET A 19 5.668 16.862 -0.161 1.00 0.00 C ATOM 231 SD MET A 19 4.588 17.485 -1.464 1.00 0.00 S ATOM 232 CE MET A 19 4.323 15.996 -2.424 1.00 0.00 C ATOM 0 HA MET A 19 3.359 17.728 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.604 15.859 1.728 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.347 15.366 0.611 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.277 17.681 0.223 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.353 16.126 -0.583 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.216 16.256 -3.477 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.175 15.327 -2.300 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.417 15.497 -2.080 1.00 0.00 H new ATOM 242 N LEU A 20 1.853 15.935 1.895 1.00 0.00 N ATOM 243 CA LEU A 20 0.831 15.167 2.598 1.00 0.00 C ATOM 244 C LEU A 20 0.477 13.899 1.828 1.00 0.00 C ATOM 245 O LEU A 20 -0.037 13.945 0.710 1.00 0.00 O ATOM 246 CB LEU A 20 -0.423 16.019 2.805 1.00 0.00 C ATOM 247 CG LEU A 20 -1.238 15.718 4.064 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.843 14.325 3.987 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.371 15.858 5.307 1.00 0.00 C ATOM 0 H LEU A 20 1.665 16.076 0.902 1.00 0.00 H new ATOM 0 HA LEU A 20 1.232 14.880 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.126 17.067 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.071 15.893 1.938 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.051 16.441 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.419 14.128 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.498 14.260 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.046 13.587 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.967 15.640 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.463 15.158 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.013 16.876 5.370 1.00 0.00 H new ATOM 261 N PRO A 21 0.755 12.738 2.440 1.00 0.00 N ATOM 262 CA PRO A 21 0.471 11.435 1.831 1.00 0.00 C ATOM 263 C PRO A 21 -1.024 11.146 1.749 1.00 0.00 C ATOM 264 O PRO A 21 -1.841 11.783 2.415 1.00 0.00 O ATOM 265 CB PRO A 21 1.156 10.445 2.777 1.00 0.00 C ATOM 266 CG PRO A 21 1.204 11.147 4.090 1.00 0.00 C ATOM 267 CD PRO A 21 1.367 12.608 3.773 1.00 0.00 C ATOM 0 HA PRO A 21 0.827 11.380 0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.596 9.512 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.157 10.191 2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.292 10.971 4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.034 10.784 4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.866 13.237 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.416 12.903 3.764 1.00 0.00 H new ATOM 275 N PRO A 22 -1.393 10.164 0.914 1.00 0.00 N ATOM 276 CA PRO A 22 -2.792 9.769 0.726 1.00 0.00 C ATOM 277 C PRO A 22 -3.367 9.073 1.955 1.00 0.00 C ATOM 278 O PRO A 22 -2.667 8.860 2.945 1.00 0.00 O ATOM 279 CB PRO A 22 -2.731 8.800 -0.457 1.00 0.00 C ATOM 280 CG PRO A 22 -1.345 8.253 -0.428 1.00 0.00 C ATOM 281 CD PRO A 22 -0.473 9.364 0.088 1.00 0.00 C ATOM 0 HA PRO A 22 -3.440 10.629 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.472 8.007 -0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.935 9.311 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.284 7.377 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.029 7.938 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.362 8.980 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.048 9.952 -0.725 1.00 0.00 H new ATOM 289 N VAL A 23 -4.647 8.720 1.885 1.00 0.00 N ATOM 290 CA VAL A 23 -5.316 8.046 2.991 1.00 0.00 C ATOM 291 C VAL A 23 -6.203 6.912 2.489 1.00 0.00 C ATOM 292 O VAL A 23 -6.242 6.624 1.294 1.00 0.00 O ATOM 293 CB VAL A 23 -6.173 9.029 3.811 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.302 10.114 4.424 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.263 9.637 2.941 1.00 0.00 C ATOM 0 H VAL A 23 -5.241 8.890 1.074 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.534 7.636 3.630 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.651 8.479 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.925 10.799 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.561 9.658 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.794 10.664 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.859 10.329 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.807 10.173 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.904 8.845 2.555 1.00 0.00 H new ATOM 305 N GLY A 24 -6.915 6.272 3.411 1.00 0.00 N ATOM 306 CA GLY A 24 -7.793 5.177 3.043 1.00 0.00 C ATOM 307 C GLY A 24 -7.135 4.205 2.083 1.00 0.00 C ATOM 308 O GLY A 24 -7.802 3.613 1.234 1.00 0.00 O ATOM 0 H GLY A 24 -6.899 6.492 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.100 4.643 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.698 5.578 2.586 1.00 0.00 H new ATOM 312 N VAL A 25 -5.823 4.040 2.217 1.00 0.00 N ATOM 313 CA VAL A 25 -5.075 3.133 1.355 1.00 0.00 C ATOM 314 C VAL A 25 -5.615 1.711 1.452 1.00 0.00 C ATOM 315 O VAL A 25 -5.477 1.054 2.484 1.00 0.00 O ATOM 316 CB VAL A 25 -3.577 3.127 1.713 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.800 2.248 0.745 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.025 4.545 1.720 1.00 0.00 C ATOM 0 H VAL A 25 -5.256 4.523 2.914 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.196 3.495 0.334 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.462 2.712 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.744 2.256 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.179 1.227 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.919 2.630 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.965 4.522 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.151 4.989 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.563 5.141 2.457 1.00 0.00 H new ATOM 328 N GLN A 26 -6.230 1.243 0.371 1.00 0.00 N ATOM 329 CA GLN A 26 -6.792 -0.103 0.335 1.00 0.00 C ATOM 330 C GLN A 26 -6.104 -0.951 -0.729 1.00 0.00 C ATOM 331 O GLN A 26 -5.689 -0.443 -1.770 1.00 0.00 O ATOM 332 CB GLN A 26 -8.296 -0.043 0.063 1.00 0.00 C ATOM 333 CG GLN A 26 -8.962 -1.409 0.027 1.00 0.00 C ATOM 334 CD GLN A 26 -10.475 -1.319 -0.013 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.165 -1.912 0.816 1.00 0.00 O ATOM 336 NE2 GLN A 26 -10.999 -0.574 -0.979 1.00 0.00 N ATOM 0 H GLN A 26 -6.352 1.775 -0.491 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.624 -0.566 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.772 0.564 0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.465 0.460 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.611 -1.957 -0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.659 -1.980 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.389 -0.100 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.011 -0.476 -1.055 1.00 0.00 H new ATOM 345 N ALA A 27 -5.985 -2.247 -0.459 1.00 0.00 N ATOM 346 CA ALA A 27 -5.348 -3.167 -1.394 1.00 0.00 C ATOM 347 C ALA A 27 -6.328 -4.236 -1.865 1.00 0.00 C ATOM 348 O ALA A 27 -6.581 -5.215 -1.162 1.00 0.00 O ATOM 349 CB ALA A 27 -4.129 -3.812 -0.752 1.00 0.00 C ATOM 0 H ALA A 27 -6.321 -2.684 0.399 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.027 -2.596 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.663 -4.496 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.414 -3.039 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.435 -4.364 0.137 1.00 0.00 H new ATOM 355 N VAL A 28 -6.879 -4.043 -3.060 1.00 0.00 N ATOM 356 CA VAL A 28 -7.831 -4.992 -3.625 1.00 0.00 C ATOM 357 C VAL A 28 -7.123 -6.038 -4.479 1.00 0.00 C ATOM 358 O VAL A 28 -6.280 -5.707 -5.312 1.00 0.00 O ATOM 359 CB VAL A 28 -8.892 -4.277 -4.483 1.00 0.00 C ATOM 360 CG1 VAL A 28 -9.997 -5.245 -4.880 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.463 -3.081 -3.736 1.00 0.00 C ATOM 0 H VAL A 28 -6.682 -3.238 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.323 -5.485 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.415 -3.914 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.738 -4.723 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.571 -6.067 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.475 -5.640 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.211 -2.588 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.926 -3.418 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.661 -2.379 -3.507 1.00 0.00 H new ATOM 371 N ALA A 29 -7.473 -7.302 -4.266 1.00 0.00 N ATOM 372 CA ALA A 29 -6.874 -8.398 -5.018 1.00 0.00 C ATOM 373 C ALA A 29 -7.752 -8.799 -6.198 1.00 0.00 C ATOM 374 O ALA A 29 -8.878 -9.264 -6.018 1.00 0.00 O ATOM 375 CB ALA A 29 -6.632 -9.593 -4.108 1.00 0.00 C ATOM 0 H ALA A 29 -8.168 -7.593 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.917 -8.055 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.185 -10.404 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.958 -9.305 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.580 -9.927 -3.687 1.00 0.00 H new ATOM 381 N LEU A 30 -7.231 -8.615 -7.407 1.00 0.00 N ATOM 382 CA LEU A 30 -7.968 -8.957 -8.618 1.00 0.00 C ATOM 383 C LEU A 30 -7.756 -10.421 -8.989 1.00 0.00 C ATOM 384 O LEU A 30 -8.714 -11.172 -9.172 1.00 0.00 O ATOM 385 CB LEU A 30 -7.533 -8.057 -9.775 1.00 0.00 C ATOM 386 CG LEU A 30 -7.443 -6.562 -9.466 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.573 -5.855 -10.494 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.832 -5.942 -9.424 1.00 0.00 C ATOM 0 H LEU A 30 -6.301 -8.231 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.029 -8.801 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.557 -8.395 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.232 -8.196 -10.599 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.982 -6.441 -8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.521 -4.792 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.570 -6.280 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.004 -5.985 -11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.749 -4.878 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.319 -6.075 -10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.424 -6.428 -8.649 1.00 0.00 H new ATOM 400 N THR A 31 -6.493 -10.821 -9.098 1.00 0.00 N ATOM 401 CA THR A 31 -6.154 -12.195 -9.446 1.00 0.00 C ATOM 402 C THR A 31 -4.843 -12.621 -8.794 1.00 0.00 C ATOM 403 O THR A 31 -4.145 -11.805 -8.191 1.00 0.00 O ATOM 404 CB THR A 31 -6.038 -12.376 -10.972 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.362 -13.723 -11.332 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.633 -12.042 -11.450 1.00 0.00 C ATOM 0 H THR A 31 -5.688 -10.213 -8.950 1.00 0.00 H new ATOM 0 HA THR A 31 -6.963 -12.824 -9.073 1.00 0.00 H new ATOM 0 HB THR A 31 -6.740 -11.694 -11.451 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.551 -14.273 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.574 -12.177 -12.530 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.400 -11.007 -11.200 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.916 -12.703 -10.963 1.00 0.00 H new ATOM 414 N HIS A 32 -4.514 -13.902 -8.920 1.00 0.00 N ATOM 415 CA HIS A 32 -3.285 -14.436 -8.343 1.00 0.00 C ATOM 416 C HIS A 32 -2.125 -13.464 -8.542 1.00 0.00 C ATOM 417 O HIS A 32 -1.394 -13.155 -7.601 1.00 0.00 O ATOM 418 CB HIS A 32 -2.946 -15.787 -8.973 1.00 0.00 C ATOM 419 CG HIS A 32 -2.929 -15.764 -10.470 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.071 -15.637 -11.233 1.00 0.00 N ATOM 421 CD2 HIS A 32 -1.901 -15.849 -11.346 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.745 -15.648 -12.514 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.434 -15.775 -12.609 1.00 0.00 N ATOM 0 H HIS A 32 -5.081 -14.590 -9.416 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.444 -14.572 -7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.970 -16.112 -8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.673 -16.527 -8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.855 -15.955 -11.098 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.434 -15.567 -13.342 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.904 -15.812 -13.479 1.00 0.00 H new ATOM 432 N ASP A 33 -1.963 -12.987 -9.771 1.00 0.00 N ATOM 433 CA ASP A 33 -0.893 -12.050 -10.093 1.00 0.00 C ATOM 434 C ASP A 33 -1.461 -10.684 -10.466 1.00 0.00 C ATOM 435 O ASP A 33 -1.000 -10.047 -11.413 1.00 0.00 O ATOM 436 CB ASP A 33 -0.040 -12.592 -11.240 1.00 0.00 C ATOM 437 CG ASP A 33 -0.858 -13.363 -12.256 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.029 -12.991 -12.481 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.329 -14.340 -12.827 1.00 0.00 O ATOM 0 H ASP A 33 -2.559 -13.234 -10.561 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.267 -11.934 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.464 -11.763 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.737 -13.241 -10.836 1.00 0.00 H new ATOM 444 N ALA A 34 -2.464 -10.241 -9.716 1.00 0.00 N ATOM 445 CA ALA A 34 -3.094 -8.950 -9.968 1.00 0.00 C ATOM 446 C ALA A 34 -3.703 -8.378 -8.692 1.00 0.00 C ATOM 447 O ALA A 34 -4.484 -9.044 -8.012 1.00 0.00 O ATOM 448 CB ALA A 34 -4.157 -9.084 -11.048 1.00 0.00 C ATOM 0 H ALA A 34 -2.858 -10.756 -8.929 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.325 -8.259 -10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.619 -8.113 -11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.697 -9.441 -11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.918 -9.794 -10.724 1.00 0.00 H new ATOM 454 N VAL A 35 -3.340 -7.140 -8.372 1.00 0.00 N ATOM 455 CA VAL A 35 -3.850 -6.478 -7.178 1.00 0.00 C ATOM 456 C VAL A 35 -4.162 -5.011 -7.453 1.00 0.00 C ATOM 457 O VAL A 35 -3.262 -4.214 -7.717 1.00 0.00 O ATOM 458 CB VAL A 35 -2.846 -6.569 -6.013 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.107 -5.468 -4.996 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.913 -7.939 -5.358 1.00 0.00 C ATOM 0 H VAL A 35 -2.694 -6.575 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.768 -6.995 -6.898 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.841 -6.432 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.388 -5.548 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.002 -4.496 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.118 -5.570 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.197 -7.985 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.918 -8.109 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.672 -8.706 -6.094 1.00 0.00 H new ATOM 470 N ARG A 36 -5.442 -4.662 -7.389 1.00 0.00 N ATOM 471 CA ARG A 36 -5.873 -3.291 -7.632 1.00 0.00 C ATOM 472 C ARG A 36 -5.819 -2.468 -6.348 1.00 0.00 C ATOM 473 O ARG A 36 -6.773 -2.449 -5.570 1.00 0.00 O ATOM 474 CB ARG A 36 -7.293 -3.273 -8.203 1.00 0.00 C ATOM 475 CG ARG A 36 -7.861 -1.875 -8.379 1.00 0.00 C ATOM 476 CD ARG A 36 -7.066 -1.075 -9.399 1.00 0.00 C ATOM 477 NE ARG A 36 -7.903 -0.119 -10.118 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.619 -0.433 -11.192 1.00 0.00 C ATOM 479 NH1 ARG A 36 -8.601 -1.670 -11.668 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.357 0.493 -11.792 1.00 0.00 N ATOM 0 H ARG A 36 -6.199 -5.310 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.192 -2.846 -8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.294 -3.780 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.948 -3.842 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.901 -1.941 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.854 -1.355 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.260 -0.543 -8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.601 -1.757 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.940 0.842 -9.777 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.036 -2.385 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.152 -1.907 -12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.374 1.446 -11.428 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.907 0.252 -12.617 1.00 0.00 H new ATOM 494 N VAL A 37 -4.697 -1.790 -6.133 1.00 0.00 N ATOM 495 CA VAL A 37 -4.518 -0.965 -4.944 1.00 0.00 C ATOM 496 C VAL A 37 -5.109 0.426 -5.146 1.00 0.00 C ATOM 497 O VAL A 37 -4.578 1.232 -5.911 1.00 0.00 O ATOM 498 CB VAL A 37 -3.029 -0.830 -4.574 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.862 0.054 -3.347 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.411 -2.200 -4.341 1.00 0.00 C ATOM 0 H VAL A 37 -3.898 -1.795 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.043 -1.465 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.507 -0.358 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.804 0.138 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.266 1.045 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.397 -0.387 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.359 -2.085 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.934 -2.701 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.497 -2.797 -5.249 1.00 0.00 H new ATOM 510 N SER A 38 -6.210 0.701 -4.455 1.00 0.00 N ATOM 511 CA SER A 38 -6.876 1.994 -4.561 1.00 0.00 C ATOM 512 C SER A 38 -6.882 2.714 -3.216 1.00 0.00 C ATOM 513 O SER A 38 -6.844 2.081 -2.161 1.00 0.00 O ATOM 514 CB SER A 38 -8.311 1.813 -5.061 1.00 0.00 C ATOM 515 OG SER A 38 -8.733 2.937 -5.814 1.00 0.00 O ATOM 0 H SER A 38 -6.660 0.046 -3.816 1.00 0.00 H new ATOM 0 HA SER A 38 -6.323 2.602 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.375 0.915 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.980 1.668 -4.213 1.00 0.00 H new ATOM 0 HG SER A 38 -8.039 3.628 -5.787 1.00 0.00 H new ATOM 521 N TRP A 39 -6.929 4.040 -3.262 1.00 0.00 N ATOM 522 CA TRP A 39 -6.939 4.847 -2.048 1.00 0.00 C ATOM 523 C TRP A 39 -7.818 6.081 -2.222 1.00 0.00 C ATOM 524 O TRP A 39 -8.426 6.278 -3.273 1.00 0.00 O ATOM 525 CB TRP A 39 -5.516 5.268 -1.678 1.00 0.00 C ATOM 526 CG TRP A 39 -4.802 5.983 -2.785 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.662 7.333 -2.932 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.131 5.384 -3.899 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.945 7.610 -4.071 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.607 6.431 -4.682 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.920 4.065 -4.310 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.888 6.198 -5.851 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.206 3.836 -5.471 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.696 4.898 -6.230 1.00 0.00 C ATOM 0 H TRP A 39 -6.961 4.579 -4.127 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.352 4.240 -1.242 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.552 5.915 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.944 4.383 -1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.057 8.074 -2.253 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.703 8.542 -4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.308 3.240 -3.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.496 7.015 -6.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.038 2.821 -5.799 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.141 4.686 -7.132 1.00 0.00 H new ATOM 545 N ALA A 40 -7.880 6.909 -1.184 1.00 0.00 N ATOM 546 CA ALA A 40 -8.683 8.125 -1.224 1.00 0.00 C ATOM 547 C ALA A 40 -7.800 9.368 -1.191 1.00 0.00 C ATOM 548 O ALA A 40 -6.692 9.339 -0.655 1.00 0.00 O ATOM 549 CB ALA A 40 -9.669 8.145 -0.065 1.00 0.00 C ATOM 0 H ALA A 40 -7.384 6.760 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.240 8.132 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.262 9.059 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.329 7.280 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.123 8.110 0.878 1.00 0.00 H new ATOM 555 N ASP A 41 -8.297 10.456 -1.768 1.00 0.00 N ATOM 556 CA ASP A 41 -7.553 11.710 -1.804 1.00 0.00 C ATOM 557 C ASP A 41 -8.157 12.729 -0.843 1.00 0.00 C ATOM 558 O ASP A 41 -9.191 13.330 -1.130 1.00 0.00 O ATOM 559 CB ASP A 41 -7.537 12.277 -3.225 1.00 0.00 C ATOM 560 CG ASP A 41 -6.575 13.440 -3.373 1.00 0.00 C ATOM 561 OD1 ASP A 41 -6.097 13.949 -2.338 1.00 0.00 O ATOM 562 OD2 ASP A 41 -6.302 13.841 -4.524 1.00 0.00 O ATOM 0 H ASP A 41 -9.212 10.495 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.529 11.506 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.260 11.489 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.541 12.603 -3.494 1.00 0.00 H new ATOM 753 N ARG A 54 0.673 16.653 -8.264 1.00 0.00 N ATOM 754 CA ARG A 54 1.291 15.701 -7.348 1.00 0.00 C ATOM 755 C ARG A 54 1.274 14.292 -7.935 1.00 0.00 C ATOM 756 O ARG A 54 0.216 13.765 -8.281 1.00 0.00 O ATOM 757 CB ARG A 54 0.565 15.712 -6.002 1.00 0.00 C ATOM 758 CG ARG A 54 -0.889 16.143 -6.096 1.00 0.00 C ATOM 759 CD ARG A 54 -1.042 17.640 -5.880 1.00 0.00 C ATOM 760 NE ARG A 54 -1.267 17.970 -4.475 1.00 0.00 N ATOM 761 CZ ARG A 54 -1.323 19.214 -4.012 1.00 0.00 C ATOM 762 NH1 ARG A 54 -1.172 20.240 -4.839 1.00 0.00 N ATOM 763 NH2 ARG A 54 -1.532 19.433 -2.721 1.00 0.00 N ATOM 0 HA ARG A 54 2.328 16.001 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.612 14.714 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.090 16.382 -5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.287 15.873 -7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.478 15.605 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.146 18.151 -6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.876 18.009 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.388 17.203 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.013 20.075 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.215 21.194 -4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.650 18.646 -2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.575 20.388 -2.366 1.00 0.00 H new ATOM 777 N LEU A 55 2.452 13.689 -8.046 1.00 0.00 N ATOM 778 CA LEU A 55 2.574 12.342 -8.592 1.00 0.00 C ATOM 779 C LEU A 55 2.494 11.296 -7.484 1.00 0.00 C ATOM 780 O LEU A 55 3.187 11.396 -6.471 1.00 0.00 O ATOM 781 CB LEU A 55 3.893 12.196 -9.353 1.00 0.00 C ATOM 782 CG LEU A 55 4.216 10.795 -9.873 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.720 10.629 -11.301 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.712 10.527 -9.792 1.00 0.00 C ATOM 0 H LEU A 55 3.337 14.112 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 55 1.745 12.179 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.878 12.882 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.704 12.515 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 55 3.703 10.068 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.959 9.626 -11.655 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.641 10.777 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.205 11.365 -11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.923 9.525 -10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.246 11.260 -10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.040 10.603 -8.755 1.00 0.00 H new ATOM 796 N TYR A 56 1.646 10.294 -7.685 1.00 0.00 N ATOM 797 CA TYR A 56 1.476 9.229 -6.703 1.00 0.00 C ATOM 798 C TYR A 56 2.292 7.999 -7.086 1.00 0.00 C ATOM 799 O TYR A 56 2.207 7.507 -8.212 1.00 0.00 O ATOM 800 CB TYR A 56 -0.002 8.855 -6.577 1.00 0.00 C ATOM 801 CG TYR A 56 -0.812 9.850 -5.777 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.683 11.216 -5.996 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.707 9.425 -4.803 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.420 12.129 -5.267 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.449 10.331 -4.071 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.303 11.682 -4.306 1.00 0.00 C ATOM 807 OH TYR A 56 -3.040 12.587 -3.578 1.00 0.00 O ATOM 0 H TYR A 56 1.066 10.196 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 56 1.835 9.595 -5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.432 8.767 -7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.081 7.874 -6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.005 11.570 -6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.824 8.368 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.305 13.187 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.140 9.983 -3.318 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.614 12.107 -2.944 1.00 0.00 H new ATOM 817 N THR A 57 3.085 7.505 -6.140 1.00 0.00 N ATOM 818 CA THR A 57 3.918 6.333 -6.376 1.00 0.00 C ATOM 819 C THR A 57 3.384 5.118 -5.626 1.00 0.00 C ATOM 820 O THR A 57 2.895 5.236 -4.502 1.00 0.00 O ATOM 821 CB THR A 57 5.377 6.585 -5.950 1.00 0.00 C ATOM 822 OG1 THR A 57 5.906 7.713 -6.656 1.00 0.00 O ATOM 823 CG2 THR A 57 6.239 5.361 -6.220 1.00 0.00 C ATOM 0 H THR A 57 3.168 7.899 -5.203 1.00 0.00 H new ATOM 0 HA THR A 57 3.889 6.136 -7.448 1.00 0.00 H new ATOM 0 HB THR A 57 5.389 6.789 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.833 7.867 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.265 5.563 -5.911 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.851 4.512 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.220 5.130 -7.285 1.00 0.00 H new ATOM 831 N VAL A 58 3.481 3.950 -6.253 1.00 0.00 N ATOM 832 CA VAL A 58 3.009 2.713 -5.644 1.00 0.00 C ATOM 833 C VAL A 58 4.162 1.746 -5.398 1.00 0.00 C ATOM 834 O VAL A 58 4.868 1.357 -6.329 1.00 0.00 O ATOM 835 CB VAL A 58 1.952 2.021 -6.525 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.298 0.872 -5.772 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.908 3.025 -6.992 1.00 0.00 C ATOM 0 H VAL A 58 3.883 3.835 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 58 2.556 2.983 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 58 2.449 1.612 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.554 0.395 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.057 0.142 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.813 1.255 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.169 2.519 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.414 3.465 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.393 3.811 -7.572 1.00 0.00 H new ATOM 847 N ARG A 59 4.347 1.362 -4.140 1.00 0.00 N ATOM 848 CA ARG A 59 5.415 0.441 -3.771 1.00 0.00 C ATOM 849 C ARG A 59 4.866 -0.736 -2.970 1.00 0.00 C ATOM 850 O ARG A 59 3.874 -0.602 -2.253 1.00 0.00 O ATOM 851 CB ARG A 59 6.488 1.169 -2.959 1.00 0.00 C ATOM 852 CG ARG A 59 6.070 1.469 -1.529 1.00 0.00 C ATOM 853 CD ARG A 59 7.268 1.501 -0.593 1.00 0.00 C ATOM 854 NE ARG A 59 8.358 2.313 -1.127 1.00 0.00 N ATOM 855 CZ ARG A 59 9.626 2.178 -0.755 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.962 1.266 0.147 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.561 2.955 -1.286 1.00 0.00 N ATOM 0 H ARG A 59 3.771 1.674 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 59 5.862 0.057 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.394 0.563 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.738 2.104 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.554 2.428 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.362 0.713 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.961 1.897 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.623 0.484 -0.423 1.00 0.00 H new ATOM 0 HE ARG A 59 8.133 3.023 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.246 0.666 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.936 1.164 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.307 3.657 -1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.534 2.850 -0.999 1.00 0.00 H new ATOM 871 N TRP A 60 5.517 -1.886 -3.097 1.00 0.00 N ATOM 872 CA TRP A 60 5.093 -3.087 -2.384 1.00 0.00 C ATOM 873 C TRP A 60 6.238 -4.088 -2.277 1.00 0.00 C ATOM 874 O TRP A 60 7.156 -4.086 -3.098 1.00 0.00 O ATOM 875 CB TRP A 60 3.901 -3.731 -3.093 1.00 0.00 C ATOM 876 CG TRP A 60 4.155 -4.018 -4.542 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.549 -5.208 -5.084 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.034 -3.098 -5.632 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.680 -5.083 -6.446 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.369 -3.799 -6.807 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.673 -1.752 -5.730 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.355 -3.196 -8.062 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.660 -1.155 -6.977 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.999 -1.877 -8.129 1.00 0.00 C ATOM 0 H TRP A 60 6.340 -2.013 -3.686 1.00 0.00 H new ATOM 0 HA TRP A 60 4.794 -2.796 -1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.645 -4.661 -2.585 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.037 -3.072 -3.007 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.731 -6.114 -4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.963 -5.826 -7.085 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.409 -1.188 -4.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.616 -3.750 -8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.384 -0.115 -7.065 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.979 -1.382 -9.089 1.00 0.00 H new ATOM 895 N ARG A 61 6.178 -4.942 -1.261 1.00 0.00 N ATOM 896 CA ARG A 61 7.210 -5.949 -1.046 1.00 0.00 C ATOM 897 C ARG A 61 6.643 -7.162 -0.315 1.00 0.00 C ATOM 898 O ARG A 61 5.705 -7.044 0.473 1.00 0.00 O ATOM 899 CB ARG A 61 8.372 -5.356 -0.247 1.00 0.00 C ATOM 900 CG ARG A 61 9.719 -5.980 -0.575 1.00 0.00 C ATOM 901 CD ARG A 61 10.588 -6.114 0.665 1.00 0.00 C ATOM 902 NE ARG A 61 9.860 -6.710 1.782 1.00 0.00 N ATOM 903 CZ ARG A 61 10.287 -6.677 3.039 1.00 0.00 C ATOM 904 NH1 ARG A 61 11.432 -6.078 3.338 1.00 0.00 N ATOM 905 NH2 ARG A 61 9.569 -7.242 4.001 1.00 0.00 N ATOM 0 H ARG A 61 5.425 -4.957 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 61 7.575 -6.272 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.422 -4.284 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.172 -5.483 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.567 -6.963 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.233 -5.369 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.459 -6.726 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.958 -5.131 0.957 1.00 0.00 H new ATOM 0 HE ARG A 61 8.975 -7.177 1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.987 -5.641 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.758 -6.054 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.687 -7.703 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.899 -7.216 4.966 1.00 0.00 H new ATOM 919 N THR A 62 7.220 -8.330 -0.582 1.00 0.00 N ATOM 920 CA THR A 62 6.772 -9.565 0.049 1.00 0.00 C ATOM 921 C THR A 62 6.669 -9.405 1.561 1.00 0.00 C ATOM 922 O THR A 62 7.617 -8.972 2.215 1.00 0.00 O ATOM 923 CB THR A 62 7.723 -10.735 -0.268 1.00 0.00 C ATOM 924 OG1 THR A 62 9.082 -10.287 -0.222 1.00 0.00 O ATOM 925 CG2 THR A 62 7.423 -11.320 -1.640 1.00 0.00 C ATOM 0 H THR A 62 7.998 -8.446 -1.231 1.00 0.00 H new ATOM 0 HA THR A 62 5.785 -9.787 -0.358 1.00 0.00 H new ATOM 0 HB THR A 62 7.571 -11.512 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.681 -11.037 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.107 -12.144 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.397 -11.686 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.550 -10.549 -2.400 1.00 0.00 H new ATOM 933 N SER A 63 5.511 -9.757 2.111 1.00 0.00 N ATOM 934 CA SER A 63 5.283 -9.649 3.548 1.00 0.00 C ATOM 935 C SER A 63 6.098 -10.691 4.307 1.00 0.00 C ATOM 936 O SER A 63 6.197 -11.845 3.888 1.00 0.00 O ATOM 937 CB SER A 63 3.796 -9.818 3.863 1.00 0.00 C ATOM 938 OG SER A 63 3.116 -8.576 3.802 1.00 0.00 O ATOM 0 H SER A 63 4.716 -10.119 1.584 1.00 0.00 H new ATOM 0 HA SER A 63 5.605 -8.658 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.348 -10.516 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.679 -10.252 4.856 1.00 0.00 H new ATOM 0 HG SER A 63 2.152 -8.726 3.897 1.00 0.00 H new ATOM 1028 N TYR A 70 11.819 -3.729 -2.857 1.00 0.00 N ATOM 1029 CA TYR A 70 10.569 -2.990 -2.989 1.00 0.00 C ATOM 1030 C TYR A 70 10.429 -2.402 -4.390 1.00 0.00 C ATOM 1031 O TYR A 70 11.370 -1.819 -4.928 1.00 0.00 O ATOM 1032 CB TYR A 70 10.499 -1.874 -1.946 1.00 0.00 C ATOM 1033 CG TYR A 70 9.693 -2.240 -0.720 1.00 0.00 C ATOM 1034 CD1 TYR A 70 10.254 -2.990 0.306 1.00 0.00 C ATOM 1035 CD2 TYR A 70 8.370 -1.835 -0.588 1.00 0.00 C ATOM 1036 CE1 TYR A 70 9.521 -3.328 1.427 1.00 0.00 C ATOM 1037 CE2 TYR A 70 7.630 -2.167 0.531 1.00 0.00 C ATOM 1038 CZ TYR A 70 8.210 -2.913 1.535 1.00 0.00 C ATOM 1039 OH TYR A 70 7.477 -3.246 2.651 1.00 0.00 O ATOM 0 HA TYR A 70 9.746 -3.685 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.511 -1.611 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.064 -0.986 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.281 -3.314 0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.913 -1.251 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.972 -3.914 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.603 -1.844 0.619 1.00 0.00 H new ATOM 0 HH TYR A 70 6.573 -2.876 2.571 1.00 0.00 H new ATOM 1049 N LYS A 71 9.247 -2.560 -4.976 1.00 0.00 N ATOM 1050 CA LYS A 71 8.980 -2.044 -6.313 1.00 0.00 C ATOM 1051 C LYS A 71 8.466 -0.609 -6.251 1.00 0.00 C ATOM 1052 O LYS A 71 8.228 -0.072 -5.169 1.00 0.00 O ATOM 1053 CB LYS A 71 7.961 -2.932 -7.030 1.00 0.00 C ATOM 1054 CG LYS A 71 8.590 -3.931 -7.987 1.00 0.00 C ATOM 1055 CD LYS A 71 7.648 -5.086 -8.285 1.00 0.00 C ATOM 1056 CE LYS A 71 7.912 -5.678 -9.661 1.00 0.00 C ATOM 1057 NZ LYS A 71 7.456 -7.093 -9.752 1.00 0.00 N ATOM 0 H LYS A 71 8.458 -3.042 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 71 9.916 -2.051 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.376 -3.473 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.266 -2.300 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.856 -3.428 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.515 -4.316 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.767 -5.859 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.616 -4.740 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.401 -5.082 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.978 -5.625 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.653 -7.461 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.962 -7.667 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.434 -7.141 -9.567 1.00 0.00 H new ATOM 1071 N SER A 72 8.296 0.005 -7.417 1.00 0.00 N ATOM 1072 CA SER A 72 7.813 1.378 -7.494 1.00 0.00 C ATOM 1073 C SER A 72 7.273 1.687 -8.888 1.00 0.00 C ATOM 1074 O SER A 72 7.896 1.351 -9.894 1.00 0.00 O ATOM 1075 CB SER A 72 8.934 2.357 -7.142 1.00 0.00 C ATOM 1076 OG SER A 72 10.096 2.101 -7.912 1.00 0.00 O ATOM 0 H SER A 72 8.486 -0.427 -8.321 1.00 0.00 H new ATOM 0 HA SER A 72 7.002 1.492 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.597 3.379 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.172 2.276 -6.081 1.00 0.00 H new ATOM 0 HG SER A 72 10.797 2.741 -7.669 1.00 0.00 H new ATOM 1082 N GLU A 73 6.109 2.327 -8.936 1.00 0.00 N ATOM 1083 CA GLU A 73 5.484 2.680 -10.206 1.00 0.00 C ATOM 1084 C GLU A 73 4.883 4.082 -10.145 1.00 0.00 C ATOM 1085 O GLU A 73 4.542 4.576 -9.071 1.00 0.00 O ATOM 1086 CB GLU A 73 4.399 1.663 -10.566 1.00 0.00 C ATOM 1087 CG GLU A 73 4.941 0.399 -11.213 1.00 0.00 C ATOM 1088 CD GLU A 73 6.060 0.681 -12.196 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.897 1.593 -13.034 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.098 -0.010 -12.128 1.00 0.00 O ATOM 0 H GLU A 73 5.580 2.611 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 73 6.254 2.667 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.852 1.393 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.685 2.131 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.305 -0.274 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.131 -0.117 -11.728 1.00 0.00 H new ATOM 1097 N ASP A 74 4.758 4.715 -11.306 1.00 0.00 N ATOM 1098 CA ASP A 74 4.198 6.059 -11.387 1.00 0.00 C ATOM 1099 C ASP A 74 2.786 6.026 -11.964 1.00 0.00 C ATOM 1100 O ASP A 74 2.571 5.552 -13.080 1.00 0.00 O ATOM 1101 CB ASP A 74 5.092 6.957 -12.244 1.00 0.00 C ATOM 1102 CG ASP A 74 4.735 6.894 -13.715 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.182 5.946 -14.395 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.008 7.793 -14.188 1.00 0.00 O ATOM 0 H ASP A 74 5.037 4.319 -12.204 1.00 0.00 H new ATOM 0 HA ASP A 74 4.149 6.466 -10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.008 7.987 -11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.133 6.660 -12.113 1.00 0.00 H new ATOM 1109 N THR A 75 1.826 6.532 -11.197 1.00 0.00 N ATOM 1110 CA THR A 75 0.435 6.559 -11.630 1.00 0.00 C ATOM 1111 C THR A 75 -0.243 7.862 -11.224 1.00 0.00 C ATOM 1112 O THR A 75 -0.135 8.300 -10.078 1.00 0.00 O ATOM 1113 CB THR A 75 -0.359 5.376 -11.044 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.660 5.317 -11.639 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.491 5.508 -9.535 1.00 0.00 C ATOM 0 H THR A 75 1.987 6.929 -10.271 1.00 0.00 H new ATOM 0 HA THR A 75 0.442 6.480 -12.717 1.00 0.00 H new ATOM 0 HB THR A 75 0.183 4.457 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.158 4.561 -11.263 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.055 4.661 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.501 5.523 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.013 6.434 -9.295 1.00 0.00 H new ATOM 1123 N THR A 76 -0.944 8.479 -12.170 1.00 0.00 N ATOM 1124 CA THR A 76 -1.640 9.733 -11.911 1.00 0.00 C ATOM 1125 C THR A 76 -3.090 9.485 -11.510 1.00 0.00 C ATOM 1126 O THR A 76 -3.965 10.311 -11.768 1.00 0.00 O ATOM 1127 CB THR A 76 -1.610 10.657 -13.143 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.919 9.909 -14.324 1.00 0.00 O ATOM 1129 CG2 THR A 76 -0.247 11.314 -13.294 1.00 0.00 C ATOM 0 H THR A 76 -1.045 8.130 -13.123 1.00 0.00 H new ATOM 0 HA THR A 76 -1.117 10.220 -11.088 1.00 0.00 H new ATOM 0 HB THR A 76 -2.358 11.438 -13.002 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.900 10.504 -15.102 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.250 11.962 -14.171 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.028 11.907 -12.406 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.516 10.545 -13.414 1.00 0.00 H new ATOM 1137 N SER A 77 -3.337 8.342 -10.878 1.00 0.00 N ATOM 1138 CA SER A 77 -4.682 7.984 -10.444 1.00 0.00 C ATOM 1139 C SER A 77 -4.677 7.506 -8.996 1.00 0.00 C ATOM 1140 O SER A 77 -3.618 7.334 -8.390 1.00 0.00 O ATOM 1141 CB SER A 77 -5.260 6.895 -11.351 1.00 0.00 C ATOM 1142 OG SER A 77 -5.835 7.456 -12.518 1.00 0.00 O ATOM 0 H SER A 77 -2.623 7.648 -10.655 1.00 0.00 H new ATOM 0 HA SER A 77 -5.308 8.874 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.473 6.194 -11.630 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.015 6.327 -10.807 1.00 0.00 H new ATOM 0 HG SER A 77 -6.196 6.740 -13.082 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.867 7.292 -8.445 1.00 0.00 N ATOM 1149 CA LEU A 78 -6.002 6.833 -7.067 1.00 0.00 C ATOM 1150 C LEU A 78 -6.181 5.319 -7.013 1.00 0.00 C ATOM 1151 O LEU A 78 -6.732 4.784 -6.051 1.00 0.00 O ATOM 1152 CB LEU A 78 -7.188 7.523 -6.393 1.00 0.00 C ATOM 1153 CG LEU A 78 -7.159 9.052 -6.384 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.570 9.612 -6.295 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -6.307 9.563 -5.231 1.00 0.00 C ATOM 0 H LEU A 78 -6.753 7.429 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.088 7.092 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.102 7.200 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.247 7.175 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.713 9.393 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.529 10.701 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.150 9.275 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.043 9.262 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.298 10.653 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.724 9.212 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.288 9.191 -5.339 1.00 0.00 H new ATOM 1167 N SER A 79 -5.710 4.635 -8.050 1.00 0.00 N ATOM 1168 CA SER A 79 -5.819 3.183 -8.121 1.00 0.00 C ATOM 1169 C SER A 79 -4.760 2.603 -9.054 1.00 0.00 C ATOM 1170 O SER A 79 -4.581 3.074 -10.177 1.00 0.00 O ATOM 1171 CB SER A 79 -7.215 2.778 -8.601 1.00 0.00 C ATOM 1172 OG SER A 79 -7.287 2.779 -10.016 1.00 0.00 O ATOM 0 H SER A 79 -5.249 5.063 -8.853 1.00 0.00 H new ATOM 0 HA SER A 79 -5.656 2.782 -7.121 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.460 1.786 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.957 3.466 -8.195 1.00 0.00 H new ATOM 0 HG SER A 79 -8.225 2.834 -10.296 1.00 0.00 H new ATOM 1178 N TYR A 80 -4.061 1.577 -8.580 1.00 0.00 N ATOM 1179 CA TYR A 80 -3.018 0.934 -9.370 1.00 0.00 C ATOM 1180 C TYR A 80 -3.233 -0.575 -9.430 1.00 0.00 C ATOM 1181 O TYR A 80 -3.783 -1.174 -8.505 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.640 1.241 -8.780 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.516 0.474 -9.438 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.033 0.902 -10.641 1.00 0.00 C ATOM 1185 CD2 TYR A 80 -0.002 -0.679 -8.858 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.060 0.205 -11.246 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.026 -1.382 -9.455 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.554 -0.936 -10.649 1.00 0.00 C ATOM 1189 OH TYR A 80 2.577 -1.635 -11.248 1.00 0.00 O ATOM 0 H TYR A 80 -4.198 1.173 -7.653 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.068 1.331 -10.384 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.444 2.309 -8.874 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.651 1.011 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.350 1.796 -11.111 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.414 -1.032 -7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.474 0.551 -12.181 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.414 -2.276 -8.990 1.00 0.00 H new ATOM 0 HH TYR A 80 3.039 -2.178 -10.576 1.00 0.00 H new ATOM 1199 N THR A 81 -2.795 -1.186 -10.526 1.00 0.00 N ATOM 1200 CA THR A 81 -2.938 -2.625 -10.709 1.00 0.00 C ATOM 1201 C THR A 81 -1.583 -3.321 -10.683 1.00 0.00 C ATOM 1202 O THR A 81 -0.860 -3.331 -11.679 1.00 0.00 O ATOM 1203 CB THR A 81 -3.646 -2.954 -12.037 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.867 -2.212 -12.139 1.00 0.00 O ATOM 1205 CG2 THR A 81 -3.941 -4.443 -12.139 1.00 0.00 C ATOM 0 H THR A 81 -2.338 -0.706 -11.301 1.00 0.00 H new ATOM 0 HA THR A 81 -3.546 -2.990 -9.881 1.00 0.00 H new ATOM 0 HB THR A 81 -2.983 -2.675 -12.855 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.310 -2.426 -12.987 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.441 -4.651 -13.085 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.007 -5.003 -12.091 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.587 -4.743 -11.314 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.243 -3.902 -9.537 1.00 0.00 N ATOM 1214 CA ALA A 82 0.026 -4.603 -9.382 1.00 0.00 C ATOM 1215 C ALA A 82 0.007 -5.940 -10.115 1.00 0.00 C ATOM 1216 O ALA A 82 -0.593 -6.908 -9.647 1.00 0.00 O ATOM 1217 CB ALA A 82 0.337 -4.811 -7.908 1.00 0.00 C ATOM 0 H ALA A 82 -1.829 -3.901 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 82 0.810 -3.987 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.287 -5.336 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.402 -3.844 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.455 -5.403 -7.449 1.00 0.00 H new ATOM 1223 N THR A 83 0.667 -5.987 -11.268 1.00 0.00 N ATOM 1224 CA THR A 83 0.724 -7.205 -12.067 1.00 0.00 C ATOM 1225 C THR A 83 2.077 -7.893 -11.924 1.00 0.00 C ATOM 1226 O THR A 83 3.089 -7.245 -11.659 1.00 0.00 O ATOM 1227 CB THR A 83 0.465 -6.912 -13.557 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.517 -6.097 -14.086 1.00 0.00 O ATOM 1229 CG2 THR A 83 -0.871 -6.210 -13.747 1.00 0.00 C ATOM 0 H THR A 83 1.170 -5.195 -11.669 1.00 0.00 H new ATOM 0 HA THR A 83 -0.058 -7.866 -11.693 1.00 0.00 H new ATOM 0 HB THR A 83 0.437 -7.862 -14.091 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.346 -5.917 -15.034 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.031 -6.014 -14.807 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.673 -6.845 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.868 -5.267 -13.200 1.00 0.00 H new ATOM 1237 N GLY A 84 2.087 -9.211 -12.102 1.00 0.00 N ATOM 1238 CA GLY A 84 3.322 -9.965 -11.988 1.00 0.00 C ATOM 1239 C GLY A 84 3.714 -10.223 -10.547 1.00 0.00 C ATOM 1240 O GLY A 84 4.859 -9.993 -10.157 1.00 0.00 O ATOM 0 H GLY A 84 1.263 -9.769 -12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.212 -10.917 -12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.124 -9.421 -12.487 1.00 0.00 H new ATOM 1244 N LEU A 85 2.761 -10.699 -9.753 1.00 0.00 N ATOM 1245 CA LEU A 85 3.012 -10.987 -8.345 1.00 0.00 C ATOM 1246 C LEU A 85 2.990 -12.490 -8.084 1.00 0.00 C ATOM 1247 O LEU A 85 2.623 -13.277 -8.957 1.00 0.00 O ATOM 1248 CB LEU A 85 1.970 -10.290 -7.468 1.00 0.00 C ATOM 1249 CG LEU A 85 1.459 -8.942 -7.976 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.093 -8.631 -7.385 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.450 -7.836 -7.644 1.00 0.00 C ATOM 0 H LEU A 85 1.808 -10.894 -10.060 1.00 0.00 H new ATOM 0 HA LEU A 85 4.002 -10.608 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.117 -10.959 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.398 -10.143 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 85 1.358 -8.999 -9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.254 -7.668 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.614 -9.408 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.167 -8.594 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.070 -6.884 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.583 -7.779 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.408 -8.052 -8.117 1.00 0.00 H new ATOM 1263 N LYS A 86 3.382 -12.881 -6.877 1.00 0.00 N ATOM 1264 CA LYS A 86 3.404 -14.289 -6.498 1.00 0.00 C ATOM 1265 C LYS A 86 2.027 -14.748 -6.029 1.00 0.00 C ATOM 1266 O LYS A 86 1.370 -14.093 -5.220 1.00 0.00 O ATOM 1267 CB LYS A 86 4.436 -14.525 -5.392 1.00 0.00 C ATOM 1268 CG LYS A 86 4.982 -15.942 -5.362 1.00 0.00 C ATOM 1269 CD LYS A 86 6.330 -16.005 -4.663 1.00 0.00 C ATOM 1270 CE LYS A 86 6.171 -16.097 -3.153 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.340 -16.761 -2.512 1.00 0.00 N ATOM 0 H LYS A 86 3.689 -12.242 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 86 3.682 -14.871 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.264 -13.828 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.981 -14.299 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.275 -16.595 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.081 -16.316 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.888 -16.868 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.914 -15.120 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.050 -15.096 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.263 -16.652 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.194 -16.804 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.441 -17.725 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.203 -16.218 -2.716 1.00 0.00 H new ATOM 1285 N PRO A 87 1.579 -15.902 -6.547 1.00 0.00 N ATOM 1286 CA PRO A 87 0.277 -16.475 -6.194 1.00 0.00 C ATOM 1287 C PRO A 87 0.241 -16.991 -4.760 1.00 0.00 C ATOM 1288 O PRO A 87 1.270 -17.365 -4.199 1.00 0.00 O ATOM 1289 CB PRO A 87 0.119 -17.633 -7.184 1.00 0.00 C ATOM 1290 CG PRO A 87 1.513 -18.010 -7.550 1.00 0.00 C ATOM 1291 CD PRO A 87 2.310 -16.735 -7.517 1.00 0.00 C ATOM 0 HA PRO A 87 -0.523 -15.736 -6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.412 -18.471 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.452 -17.329 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.916 -18.740 -6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.547 -18.466 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.338 -16.912 -7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.355 -16.263 -8.499 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.952 -17.010 -4.173 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.122 -17.481 -2.803 1.00 0.00 C ATOM 1301 C ASN A 88 -0.097 -16.836 -1.875 1.00 0.00 C ATOM 1302 O ASN A 88 0.362 -17.453 -0.913 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.991 -19.004 -2.745 1.00 0.00 C ATOM 1304 CG ASN A 88 0.413 -19.477 -3.067 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.614 -19.944 -4.294 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.307 -19.422 -2.222 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.814 -16.705 -4.624 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.119 -17.196 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.269 -19.352 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.693 -19.453 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.107 -19.056 -1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.247 -19.743 -2.453 1.00 0.00 H new ATOM 1313 N THR A 89 0.259 -15.589 -2.170 1.00 0.00 N ATOM 1314 CA THR A 89 1.229 -14.860 -1.363 1.00 0.00 C ATOM 1315 C THR A 89 0.814 -13.404 -1.186 1.00 0.00 C ATOM 1316 O THR A 89 0.530 -12.707 -2.160 1.00 0.00 O ATOM 1317 CB THR A 89 2.634 -14.909 -1.994 1.00 0.00 C ATOM 1318 OG1 THR A 89 3.045 -16.269 -2.170 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.644 -14.177 -1.123 1.00 0.00 C ATOM 0 H THR A 89 -0.110 -15.063 -2.962 1.00 0.00 H new ATOM 0 HA THR A 89 1.259 -15.347 -0.388 1.00 0.00 H new ATOM 0 HB THR A 89 2.590 -14.415 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.489 -16.692 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.628 -14.225 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.344 -13.135 -1.015 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.684 -14.646 -0.140 1.00 0.00 H new ATOM 1327 N MET A 90 0.782 -12.951 0.063 1.00 0.00 N ATOM 1328 CA MET A 90 0.403 -11.576 0.367 1.00 0.00 C ATOM 1329 C MET A 90 1.638 -10.706 0.581 1.00 0.00 C ATOM 1330 O MET A 90 2.650 -11.168 1.107 1.00 0.00 O ATOM 1331 CB MET A 90 -0.488 -11.532 1.610 1.00 0.00 C ATOM 1332 CG MET A 90 -0.878 -10.124 2.029 1.00 0.00 C ATOM 1333 SD MET A 90 0.249 -9.426 3.251 1.00 0.00 S ATOM 1334 CE MET A 90 0.020 -10.566 4.613 1.00 0.00 C ATOM 0 H MET A 90 1.014 -13.515 0.880 1.00 0.00 H new ATOM 0 HA MET A 90 -0.154 -11.183 -0.484 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.393 -12.109 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.031 -12.017 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 90 -0.899 -9.480 1.150 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.888 -10.137 2.438 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.129 -10.032 5.557 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.977 -11.004 4.557 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.768 -11.357 4.555 1.00 0.00 H new ATOM 1344 N TYR A 91 1.547 -9.446 0.170 1.00 0.00 N ATOM 1345 CA TYR A 91 2.658 -8.513 0.315 1.00 0.00 C ATOM 1346 C TYR A 91 2.188 -7.198 0.929 1.00 0.00 C ATOM 1347 O TYR A 91 1.037 -7.071 1.344 1.00 0.00 O ATOM 1348 CB TYR A 91 3.311 -8.250 -1.043 1.00 0.00 C ATOM 1349 CG TYR A 91 2.810 -9.160 -2.142 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.024 -10.532 -2.085 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.125 -8.649 -3.237 1.00 0.00 C ATOM 1352 CE1 TYR A 91 2.569 -11.368 -3.087 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.666 -9.477 -4.243 1.00 0.00 C ATOM 1354 CZ TYR A 91 1.890 -10.835 -4.163 1.00 0.00 C ATOM 1355 OH TYR A 91 1.435 -11.664 -5.164 1.00 0.00 O ATOM 0 H TYR A 91 0.716 -9.047 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 91 3.393 -8.963 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.130 -7.214 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.390 -8.370 -0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.555 -10.952 -1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.948 -7.586 -3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.744 -12.432 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.135 -9.063 -5.087 1.00 0.00 H new ATOM 0 HH TYR A 91 1.677 -12.591 -4.956 1.00 0.00 H new ATOM 1365 N GLU A 92 3.090 -6.222 0.983 1.00 0.00 N ATOM 1366 CA GLU A 92 2.768 -4.916 1.546 1.00 0.00 C ATOM 1367 C GLU A 92 2.477 -3.904 0.442 1.00 0.00 C ATOM 1368 O GLU A 92 3.103 -3.927 -0.617 1.00 0.00 O ATOM 1369 CB GLU A 92 3.919 -4.416 2.421 1.00 0.00 C ATOM 1370 CG GLU A 92 3.789 -4.810 3.883 1.00 0.00 C ATOM 1371 CD GLU A 92 4.727 -4.030 4.784 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.934 -4.350 4.802 1.00 0.00 O ATOM 1373 OE2 GLU A 92 4.254 -3.099 5.469 1.00 0.00 O ATOM 0 H GLU A 92 4.048 -6.311 0.644 1.00 0.00 H new ATOM 0 HA GLU A 92 1.874 -5.024 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.858 -4.808 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.973 -3.330 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.761 -4.649 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.993 -5.876 3.988 1.00 0.00 H new ATOM 1380 N PHE A 93 1.521 -3.016 0.698 1.00 0.00 N ATOM 1381 CA PHE A 93 1.145 -1.996 -0.273 1.00 0.00 C ATOM 1382 C PHE A 93 1.031 -0.628 0.391 1.00 0.00 C ATOM 1383 O PHE A 93 0.524 -0.508 1.507 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.181 -2.364 -0.942 1.00 0.00 C ATOM 1385 CG PHE A 93 -0.103 -3.602 -1.788 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.237 -4.857 -1.216 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.103 -3.512 -3.155 1.00 0.00 C ATOM 1388 CE1 PHE A 93 -0.165 -5.999 -1.992 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.175 -4.650 -3.936 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.040 -5.895 -3.354 1.00 0.00 C ATOM 0 H PHE A 93 0.993 -2.983 1.570 1.00 0.00 H new ATOM 0 HA PHE A 93 1.926 -1.947 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.940 -2.507 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.509 -1.530 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.400 -4.944 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.209 -2.541 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.269 -6.971 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.337 -4.566 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.095 -6.786 -3.963 1.00 0.00 H new ATOM 1400 N SER A 94 1.506 0.402 -0.302 1.00 0.00 N ATOM 1401 CA SER A 94 1.462 1.762 0.222 1.00 0.00 C ATOM 1402 C SER A 94 1.409 2.780 -0.913 1.00 0.00 C ATOM 1403 O SER A 94 1.430 2.417 -2.090 1.00 0.00 O ATOM 1404 CB SER A 94 2.680 2.030 1.107 1.00 0.00 C ATOM 1405 OG SER A 94 2.470 3.160 1.936 1.00 0.00 O ATOM 0 H SER A 94 1.926 0.320 -1.228 1.00 0.00 H new ATOM 0 HA SER A 94 0.557 1.865 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.884 1.155 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.559 2.192 0.482 1.00 0.00 H new ATOM 0 HG SER A 94 1.949 2.896 2.723 1.00 0.00 H new ATOM 1411 N VAL A 95 1.341 4.057 -0.552 1.00 0.00 N ATOM 1412 CA VAL A 95 1.287 5.129 -1.538 1.00 0.00 C ATOM 1413 C VAL A 95 1.889 6.416 -0.985 1.00 0.00 C ATOM 1414 O VAL A 95 1.919 6.629 0.227 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.160 5.405 -1.989 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.182 6.414 -3.127 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -0.844 4.110 -2.401 1.00 0.00 C ATOM 0 H VAL A 95 1.322 4.375 0.417 1.00 0.00 H new ATOM 0 HA VAL A 95 1.871 4.798 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.710 5.830 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.213 6.596 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.268 7.349 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.383 6.021 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.865 4.323 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.296 3.656 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.861 3.423 -1.555 1.00 0.00 H new ATOM 1427 N MET A 96 2.367 7.273 -1.882 1.00 0.00 N ATOM 1428 CA MET A 96 2.967 8.541 -1.483 1.00 0.00 C ATOM 1429 C MET A 96 2.848 9.573 -2.599 1.00 0.00 C ATOM 1430 O MET A 96 2.243 9.311 -3.639 1.00 0.00 O ATOM 1431 CB MET A 96 4.438 8.339 -1.114 1.00 0.00 C ATOM 1432 CG MET A 96 5.277 7.770 -2.247 1.00 0.00 C ATOM 1433 SD MET A 96 6.006 9.052 -3.284 1.00 0.00 S ATOM 1434 CE MET A 96 7.349 9.611 -2.237 1.00 0.00 C ATOM 0 H MET A 96 2.350 7.112 -2.889 1.00 0.00 H new ATOM 0 HA MET A 96 2.428 8.911 -0.611 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.861 9.295 -0.804 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.500 7.670 -0.256 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.071 7.150 -1.830 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.656 7.120 -2.863 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.432 10.696 -2.300 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.150 9.322 -1.205 1.00 0.00 H new ATOM 0 HE3 MET A 96 8.282 9.156 -2.568 1.00 0.00 H new ATOM 1444 N VAL A 97 3.428 10.749 -2.377 1.00 0.00 N ATOM 1445 CA VAL A 97 3.386 11.821 -3.364 1.00 0.00 C ATOM 1446 C VAL A 97 4.739 12.514 -3.479 1.00 0.00 C ATOM 1447 O VAL A 97 5.466 12.650 -2.494 1.00 0.00 O ATOM 1448 CB VAL A 97 2.313 12.868 -3.011 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.513 13.380 -1.593 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.340 14.015 -4.010 1.00 0.00 C ATOM 0 H VAL A 97 3.932 10.983 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 97 3.133 11.362 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 97 1.334 12.392 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.746 14.119 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.439 12.548 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.497 13.840 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.576 14.746 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.320 14.492 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.144 13.630 -5.011 1.00 0.00 H new ATOM 1460 N THR A 98 5.072 12.953 -4.689 1.00 0.00 N ATOM 1461 CA THR A 98 6.338 13.632 -4.934 1.00 0.00 C ATOM 1462 C THR A 98 6.124 14.940 -5.688 1.00 0.00 C ATOM 1463 O THR A 98 6.005 14.949 -6.914 1.00 0.00 O ATOM 1464 CB THR A 98 7.307 12.743 -5.736 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.549 11.521 -5.030 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.624 13.463 -5.982 1.00 0.00 C ATOM 0 H THR A 98 4.482 12.850 -5.515 1.00 0.00 H new ATOM 0 HA THR A 98 6.775 13.845 -3.959 1.00 0.00 H new ATOM 0 HB THR A 98 6.848 12.520 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.165 10.961 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.292 12.816 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.439 14.377 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.086 13.713 -5.027 1.00 0.00 H new ATOM 1474 N LYS A 99 6.076 16.043 -4.949 1.00 0.00 N ATOM 1475 CA LYS A 99 5.878 17.357 -5.548 1.00 0.00 C ATOM 1476 C LYS A 99 6.967 18.328 -5.103 1.00 0.00 C ATOM 1477 O LYS A 99 7.563 18.161 -4.040 1.00 0.00 O ATOM 1478 CB LYS A 99 4.502 17.910 -5.170 1.00 0.00 C ATOM 1479 CG LYS A 99 4.022 19.025 -6.083 1.00 0.00 C ATOM 1480 CD LYS A 99 3.192 18.484 -7.235 1.00 0.00 C ATOM 1481 CE LYS A 99 3.971 17.464 -8.052 1.00 0.00 C ATOM 1482 NZ LYS A 99 5.208 18.051 -8.638 1.00 0.00 N ATOM 0 H LYS A 99 6.172 16.053 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 99 5.934 17.247 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.775 17.098 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.538 18.281 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.429 19.737 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.880 19.570 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.284 18.023 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.881 19.307 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.236 16.617 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.338 17.079 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.044 18.277 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.457 18.920 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.987 17.367 -8.560 1.00 0.00 H new ATOM 1496 N ASN A 100 7.221 19.342 -5.923 1.00 0.00 N ATOM 1497 CA ASN A 100 8.238 20.340 -5.613 1.00 0.00 C ATOM 1498 C ASN A 100 9.632 19.720 -5.634 1.00 0.00 C ATOM 1499 O ASN A 100 10.466 20.014 -4.777 1.00 0.00 O ATOM 1500 CB ASN A 100 7.967 20.966 -4.244 1.00 0.00 C ATOM 1501 CG ASN A 100 7.133 22.229 -4.341 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.382 22.418 -5.297 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.263 23.101 -3.348 1.00 0.00 N ATOM 0 H ASN A 100 6.736 19.494 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 100 8.193 21.117 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.453 20.242 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.915 21.196 -3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.728 23.969 -3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.898 22.903 -2.575 1.00 0.00 H new ATOM 1510 N ARG A 101 9.878 18.862 -6.618 1.00 0.00 N ATOM 1511 CA ARG A 101 11.170 18.200 -6.751 1.00 0.00 C ATOM 1512 C ARG A 101 11.596 17.571 -5.428 1.00 0.00 C ATOM 1513 O ARG A 101 12.760 17.656 -5.035 1.00 0.00 O ATOM 1514 CB ARG A 101 12.232 19.197 -7.219 1.00 0.00 C ATOM 1515 CG ARG A 101 12.126 19.552 -8.693 1.00 0.00 C ATOM 1516 CD ARG A 101 12.979 20.763 -9.038 1.00 0.00 C ATOM 1517 NE ARG A 101 14.339 20.386 -9.410 1.00 0.00 N ATOM 1518 CZ ARG A 101 15.199 21.215 -9.992 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.841 22.462 -10.265 1.00 0.00 N ATOM 1520 NH2 ARG A 101 16.420 20.797 -10.300 1.00 0.00 N ATOM 0 H ARG A 101 9.199 18.609 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 101 11.071 17.410 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.148 20.109 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 101 13.220 18.780 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 101 12.440 18.701 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.085 19.755 -8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.517 21.310 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.011 21.439 -8.184 1.00 0.00 H new ATOM 0 HE ARG A 101 14.646 19.434 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.904 22.787 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.503 23.096 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.699 19.839 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.080 21.434 -10.747 1.00 0.00 H new ATOM 1534 N ARG A 102 10.647 16.940 -4.746 1.00 0.00 N ATOM 1535 CA ARG A 102 10.924 16.297 -3.466 1.00 0.00 C ATOM 1536 C ARG A 102 9.881 15.227 -3.159 1.00 0.00 C ATOM 1537 O ARG A 102 8.689 15.419 -3.400 1.00 0.00 O ATOM 1538 CB ARG A 102 10.949 17.337 -2.344 1.00 0.00 C ATOM 1539 CG ARG A 102 9.571 17.689 -1.809 1.00 0.00 C ATOM 1540 CD ARG A 102 9.658 18.374 -0.454 1.00 0.00 C ATOM 1541 NE ARG A 102 9.821 19.819 -0.581 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.345 20.586 0.369 1.00 0.00 C ATOM 1543 NH1 ARG A 102 10.754 20.048 1.509 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.460 21.894 0.179 1.00 0.00 N ATOM 0 H ARG A 102 9.679 16.860 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 102 11.902 15.819 -3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.562 16.961 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.429 18.244 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.061 18.343 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.971 16.783 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.756 18.160 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.497 17.962 0.107 1.00 0.00 H new ATOM 0 HE ARG A 102 9.516 20.264 -1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.667 19.043 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.156 20.639 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.146 22.312 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.862 22.482 0.909 1.00 0.00 H new ATOM 1558 N SER A 103 10.338 14.098 -2.625 1.00 0.00 N ATOM 1559 CA SER A 103 9.446 12.995 -2.289 1.00 0.00 C ATOM 1560 C SER A 103 8.921 13.137 -0.863 1.00 0.00 C ATOM 1561 O SER A 103 9.610 13.656 0.015 1.00 0.00 O ATOM 1562 CB SER A 103 10.172 11.658 -2.446 1.00 0.00 C ATOM 1563 OG SER A 103 11.232 11.540 -1.513 1.00 0.00 O ATOM 0 H SER A 103 11.321 13.924 -2.416 1.00 0.00 H new ATOM 0 HA SER A 103 8.599 13.023 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.467 10.839 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.564 11.570 -3.459 1.00 0.00 H new ATOM 0 HG SER A 103 11.679 10.676 -1.633 1.00 0.00 H new ATOM 1569 N SER A 104 7.696 12.671 -0.642 1.00 0.00 N ATOM 1570 CA SER A 104 7.075 12.749 0.675 1.00 0.00 C ATOM 1571 C SER A 104 7.052 11.379 1.347 1.00 0.00 C ATOM 1572 O SER A 104 7.608 10.410 0.828 1.00 0.00 O ATOM 1573 CB SER A 104 5.651 13.297 0.560 1.00 0.00 C ATOM 1574 OG SER A 104 4.738 12.273 0.206 1.00 0.00 O ATOM 0 H SER A 104 7.114 12.236 -1.358 1.00 0.00 H new ATOM 0 HA SER A 104 7.669 13.426 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.352 13.743 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.622 14.089 -0.188 1.00 0.00 H new ATOM 0 HG SER A 104 3.906 12.387 0.711 1.00 0.00 H new ATOM 1580 N THR A 105 6.404 11.306 2.505 1.00 0.00 N ATOM 1581 CA THR A 105 6.308 10.056 3.249 1.00 0.00 C ATOM 1582 C THR A 105 5.145 9.207 2.751 1.00 0.00 C ATOM 1583 O THR A 105 4.271 9.694 2.034 1.00 0.00 O ATOM 1584 CB THR A 105 6.132 10.313 4.758 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.230 9.080 5.479 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.789 10.967 5.042 1.00 0.00 C ATOM 0 H THR A 105 5.938 12.098 2.948 1.00 0.00 H new ATOM 0 HA THR A 105 7.242 9.519 3.085 1.00 0.00 H new ATOM 0 HB THR A 105 6.923 10.988 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.119 9.252 6.437 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.687 11.139 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.729 11.919 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.986 10.313 4.702 1.00 0.00 H new ATOM 1594 N TRP A 106 5.140 7.935 3.135 1.00 0.00 N ATOM 1595 CA TRP A 106 4.082 7.018 2.726 1.00 0.00 C ATOM 1596 C TRP A 106 2.956 6.994 3.754 1.00 0.00 C ATOM 1597 O TRP A 106 3.076 7.573 4.834 1.00 0.00 O ATOM 1598 CB TRP A 106 4.646 5.609 2.536 1.00 0.00 C ATOM 1599 CG TRP A 106 5.719 5.535 1.492 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.049 5.792 1.665 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.552 5.183 0.115 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.719 5.620 0.478 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.824 5.246 -0.488 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.453 4.818 -0.668 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.023 4.958 -1.836 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.653 4.534 -2.005 1.00 0.00 C ATOM 1607 CH2 TRP A 106 5.929 4.604 -2.578 1.00 0.00 C ATOM 0 H TRP A 106 5.856 7.516 3.728 1.00 0.00 H new ATOM 0 HA TRP A 106 3.676 7.370 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.048 5.255 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.835 4.935 2.262 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.507 6.087 2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.721 5.750 0.339 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.465 4.759 -0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.006 5.012 -2.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 3.810 4.253 -2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.052 4.374 -3.626 1.00 0.00 H new ATOM 1618 N SER A 107 1.862 6.320 3.411 1.00 0.00 N ATOM 1619 CA SER A 107 0.713 6.224 4.304 1.00 0.00 C ATOM 1620 C SER A 107 0.531 4.794 4.802 1.00 0.00 C ATOM 1621 O SER A 107 1.232 3.880 4.370 1.00 0.00 O ATOM 1622 CB SER A 107 -0.556 6.693 3.589 1.00 0.00 C ATOM 1623 OG SER A 107 -1.702 6.486 4.396 1.00 0.00 O ATOM 0 H SER A 107 1.748 5.833 2.522 1.00 0.00 H new ATOM 0 HA SER A 107 0.896 6.869 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.468 7.751 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.668 6.154 2.648 1.00 0.00 H new ATOM 0 HG SER A 107 -2.378 7.163 4.184 1.00 0.00 H new ATOM 1629 N MET A 108 -0.417 4.608 5.715 1.00 0.00 N ATOM 1630 CA MET A 108 -0.693 3.289 6.272 1.00 0.00 C ATOM 1631 C MET A 108 -0.592 2.213 5.196 1.00 0.00 C ATOM 1632 O MET A 108 -0.984 2.427 4.049 1.00 0.00 O ATOM 1633 CB MET A 108 -2.085 3.262 6.908 1.00 0.00 C ATOM 1634 CG MET A 108 -3.177 3.808 6.004 1.00 0.00 C ATOM 1635 SD MET A 108 -4.808 3.155 6.412 1.00 0.00 S ATOM 1636 CE MET A 108 -4.951 1.830 5.215 1.00 0.00 C ATOM 0 H MET A 108 -1.007 5.354 6.085 1.00 0.00 H new ATOM 0 HA MET A 108 0.053 3.082 7.039 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.331 2.236 7.181 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.065 3.842 7.831 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.196 4.895 6.080 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.941 3.565 4.968 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.750 2.061 4.510 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.010 1.724 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.181 0.897 5.730 1.00 0.00 H new ATOM 1646 N THR A 109 -0.063 1.053 5.574 1.00 0.00 N ATOM 1647 CA THR A 109 0.091 -0.056 4.641 1.00 0.00 C ATOM 1648 C THR A 109 -1.195 -0.866 4.533 1.00 0.00 C ATOM 1649 O THR A 109 -1.977 -0.937 5.480 1.00 0.00 O ATOM 1650 CB THR A 109 1.239 -0.992 5.066 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.480 -0.277 5.062 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.335 -2.189 4.132 1.00 0.00 C ATOM 0 H THR A 109 0.266 0.858 6.520 1.00 0.00 H new ATOM 0 HA THR A 109 0.326 0.379 3.670 1.00 0.00 H new ATOM 0 HB THR A 109 1.031 -1.353 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.205 -0.878 5.335 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.152 -2.835 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.399 -2.747 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.522 -1.843 3.115 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.409 -1.477 3.372 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.600 -2.285 3.141 1.00 0.00 C ATOM 1662 C ALA A 110 -2.229 -3.699 2.707 1.00 0.00 C ATOM 1663 O ALA A 110 -1.541 -3.891 1.704 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.490 -1.627 2.097 1.00 0.00 C ATOM 0 H ALA A 110 -0.772 -1.428 2.577 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.149 -2.354 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.376 -2.241 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.792 -0.640 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.941 -1.528 1.161 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.688 -4.687 3.469 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.404 -6.084 3.162 1.00 0.00 C ATOM 1672 C HIS A 111 -3.500 -6.682 2.286 1.00 0.00 C ATOM 1673 O HIS A 111 -4.677 -6.354 2.437 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.267 -6.894 4.452 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.909 -6.799 5.077 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.245 -6.617 4.346 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.525 -6.862 6.374 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.281 -6.573 5.165 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.840 -6.719 6.402 1.00 0.00 N ATOM 0 H HIS A 111 -3.258 -4.546 4.303 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.463 -6.125 2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.013 -6.550 5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.488 -7.940 4.240 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.172 -6.999 7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.312 -6.440 4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.420 -6.725 7.241 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.106 -7.560 1.369 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.055 -8.204 0.470 1.00 0.00 C ATOM 1690 C ALA A 112 -3.437 -9.429 -0.195 1.00 0.00 C ATOM 1691 O ALA A 112 -2.613 -9.307 -1.102 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.538 -7.217 -0.582 1.00 0.00 C ATOM 0 H ALA A 112 -2.136 -7.841 1.230 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.909 -8.536 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.246 -7.711 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.027 -6.374 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.687 -6.857 -1.161 1.00 0.00 H new ATOM 1698 N THR A 113 -3.839 -10.611 0.262 1.00 0.00 N ATOM 1699 CA THR A 113 -3.323 -11.858 -0.288 1.00 0.00 C ATOM 1700 C THR A 113 -3.887 -12.122 -1.679 1.00 0.00 C ATOM 1701 O THR A 113 -5.033 -11.777 -1.972 1.00 0.00 O ATOM 1702 CB THR A 113 -3.657 -13.054 0.624 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.474 -12.690 1.997 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.778 -14.251 0.291 1.00 0.00 C ATOM 0 H THR A 113 -4.520 -10.731 1.012 1.00 0.00 H new ATOM 0 HA THR A 113 -2.240 -11.750 -0.353 1.00 0.00 H new ATOM 0 HB THR A 113 -4.698 -13.329 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.811 -13.284 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.032 -15.083 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.941 -14.545 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.731 -13.984 0.432 1.00 0.00 H new ATOM 1712 N THR A 114 -3.077 -12.736 -2.536 1.00 0.00 N ATOM 1713 CA THR A 114 -3.495 -13.045 -3.897 1.00 0.00 C ATOM 1714 C THR A 114 -4.216 -14.387 -3.959 1.00 0.00 C ATOM 1715 O THR A 114 -3.989 -15.263 -3.125 1.00 0.00 O ATOM 1716 CB THR A 114 -2.294 -13.074 -4.861 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.238 -13.865 -4.304 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.789 -11.667 -5.139 1.00 0.00 C ATOM 0 H THR A 114 -2.126 -13.029 -2.311 1.00 0.00 H new ATOM 0 HA THR A 114 -4.179 -12.254 -4.205 1.00 0.00 H new ATOM 0 HB THR A 114 -2.622 -13.517 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.421 -13.737 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.941 -11.713 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.587 -11.077 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.477 -11.201 -4.204 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.084 -14.541 -4.953 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.839 -15.777 -5.123 1.00 0.00 C ATOM 1728 C TYR A 115 -4.908 -16.947 -5.426 1.00 0.00 C ATOM 1729 O TYR A 115 -3.940 -16.807 -6.172 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.864 -15.622 -6.248 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.950 -14.615 -5.943 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -9.024 -14.947 -5.126 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.901 -13.331 -6.471 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -10.018 -14.031 -4.846 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.891 -12.407 -6.194 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.947 -12.762 -5.382 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.936 -11.845 -5.104 1.00 0.00 O ATOM 0 H TYR A 115 -5.282 -13.826 -5.653 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.362 -15.985 -4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.348 -15.322 -7.160 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.323 -16.591 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.082 -15.939 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.076 -13.050 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.847 -14.306 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.838 -11.412 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.735 -11.000 -5.558 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.210 -18.102 -4.840 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.400 -19.297 -5.046 1.00 0.00 C ATOM 1749 C GLU A 116 -4.425 -19.724 -6.511 1.00 0.00 C ATOM 1750 O GLU A 116 -5.429 -20.240 -7.001 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.903 -20.439 -4.162 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.818 -21.428 -3.770 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.365 -22.628 -3.020 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.273 -22.440 -2.183 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.886 -23.753 -3.269 1.00 0.00 O ATOM 0 H GLU A 116 -6.009 -18.235 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.372 -19.061 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.345 -20.020 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.696 -20.972 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.302 -21.770 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.078 -20.923 -3.149 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.313 -19.504 -7.204 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.205 -19.868 -8.612 1.00 0.00 C ATOM 1764 C ALA A 117 -3.923 -21.183 -8.896 1.00 0.00 C ATOM 1765 O ALA A 117 -4.676 -21.294 -9.863 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.743 -19.962 -9.022 1.00 0.00 C ATOM 0 H ALA A 117 -2.474 -19.075 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.686 -19.088 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.677 -20.234 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.259 -18.998 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.244 -20.721 -8.419 1.00 0.00 H new