USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 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 19 MET CE :methyl 141:sc= -0.683 (180deg=-2.53!) USER MOD Set 1.2: A 20 ASN : amide:sc= 0 K(o=-0.68,f=-2.8) USER MOD Single : A 23 MET CE :methyl -151:sc= -0.9 (180deg=-2.82!) USER MOD Single : A 26 ASN : amide:sc= -0.355 K(o=-0.36,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.2!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.173 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.217 F(o=-0.84,f=-0.22) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -122:sc= -2.48 (180deg=-4.78!) USER MOD Single : A 51 SER OG : rot 22:sc= 0.0481 USER MOD Single : A 57 THR OG1 : rot 68:sc= 0.635 USER MOD Single : A 58 THR OG1 : rot -86:sc= 1.18 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.716 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-3.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.58 K(o=-0.58,f=-3.8!) USER MOD Single : A 81 MET CE :methyl -117:sc= -4.25! (180deg=-8.37!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.995 -12.605 -1.255 1.00 0.00 N ATOM 237 CA LEU A 18 -9.586 -11.607 -0.273 1.00 0.00 C ATOM 238 C LEU A 18 -8.244 -10.987 -0.653 1.00 0.00 C ATOM 239 O LEU A 18 -8.167 -9.804 -0.982 1.00 0.00 O ATOM 240 CB LEU A 18 -9.493 -12.238 1.117 1.00 0.00 C ATOM 241 CG LEU A 18 -10.703 -13.060 1.563 1.00 0.00 C ATOM 242 CD1 LEU A 18 -10.424 -13.743 2.893 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.940 -12.178 1.663 1.00 0.00 C ATOM 0 HA LEU A 18 -10.339 -10.819 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.613 -12.880 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.331 -11.443 1.845 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.890 -13.830 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.296 -14.323 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.565 -14.406 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.210 -12.990 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.791 -12.780 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.764 -11.385 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.152 -11.737 0.689 1.00 0.00 H new ATOM 255 N MET A 19 -7.191 -11.796 -0.606 1.00 0.00 N ATOM 256 CA MET A 19 -5.853 -11.328 -0.949 1.00 0.00 C ATOM 257 C MET A 19 -5.882 -10.477 -2.215 1.00 0.00 C ATOM 258 O MET A 19 -5.031 -9.610 -2.411 1.00 0.00 O ATOM 259 CB MET A 19 -4.907 -12.515 -1.141 1.00 0.00 C ATOM 260 CG MET A 19 -5.441 -13.568 -2.098 1.00 0.00 C ATOM 261 SD MET A 19 -5.054 -13.202 -3.820 1.00 0.00 S ATOM 262 CE MET A 19 -6.665 -13.395 -4.578 1.00 0.00 C ATOM 0 H MET A 19 -7.238 -12.778 -0.334 1.00 0.00 H new ATOM 0 HA MET A 19 -5.490 -10.712 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.950 -12.150 -1.513 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.717 -12.978 -0.173 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.022 -14.539 -1.834 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.522 -13.645 -1.981 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.804 -12.627 -5.339 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.734 -14.380 -5.040 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.439 -13.296 -3.817 1.00 0.00 H new ATOM 272 N ASN A 20 -6.867 -10.730 -3.070 1.00 0.00 N ATOM 273 CA ASN A 20 -7.006 -9.987 -4.317 1.00 0.00 C ATOM 274 C ASN A 20 -6.649 -8.517 -4.118 1.00 0.00 C ATOM 275 O ASN A 20 -5.935 -7.926 -4.928 1.00 0.00 O ATOM 276 CB ASN A 20 -8.435 -10.108 -4.851 1.00 0.00 C ATOM 277 CG ASN A 20 -8.497 -10.023 -6.364 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.977 -10.890 -7.067 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.135 -8.975 -6.872 1.00 0.00 N ATOM 0 H ASN A 20 -7.581 -11.444 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.316 -10.415 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.862 -11.056 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.049 -9.317 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.209 -8.864 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.551 -8.281 -6.251 1.00 0.00 H new ATOM 286 N ALA A 21 -7.151 -7.934 -3.034 1.00 0.00 N ATOM 287 CA ALA A 21 -6.882 -6.535 -2.727 1.00 0.00 C ATOM 288 C ALA A 21 -5.384 -6.252 -2.718 1.00 0.00 C ATOM 289 O ALA A 21 -4.895 -5.412 -3.475 1.00 0.00 O ATOM 290 CB ALA A 21 -7.500 -6.161 -1.387 1.00 0.00 C ATOM 0 H ALA A 21 -7.746 -8.409 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.335 -5.924 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.292 -5.113 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.578 -6.316 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.073 -6.786 -0.602 1.00 0.00 H new ATOM 296 N LEU A 22 -4.659 -6.957 -1.856 1.00 0.00 N ATOM 297 CA LEU A 22 -3.215 -6.782 -1.748 1.00 0.00 C ATOM 298 C LEU A 22 -2.561 -6.789 -3.126 1.00 0.00 C ATOM 299 O LEU A 22 -1.735 -5.931 -3.437 1.00 0.00 O ATOM 300 CB LEU A 22 -2.611 -7.885 -0.879 1.00 0.00 C ATOM 301 CG LEU A 22 -2.541 -7.596 0.621 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.020 -8.809 1.376 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.664 -6.382 0.890 1.00 0.00 C ATOM 0 H LEU A 22 -5.048 -7.655 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.025 -5.816 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.192 -8.795 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.602 -8.090 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.548 -7.378 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.977 -8.584 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.687 -9.655 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.021 -9.059 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.626 -6.191 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.657 -6.571 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.080 -5.512 0.381 1.00 0.00 H new ATOM 315 N MET A 23 -2.937 -7.762 -3.949 1.00 0.00 N ATOM 316 CA MET A 23 -2.389 -7.879 -5.296 1.00 0.00 C ATOM 317 C MET A 23 -2.779 -6.675 -6.147 1.00 0.00 C ATOM 318 O MET A 23 -1.987 -6.194 -6.958 1.00 0.00 O ATOM 319 CB MET A 23 -2.879 -9.167 -5.959 1.00 0.00 C ATOM 320 CG MET A 23 -2.112 -10.405 -5.522 1.00 0.00 C ATOM 321 SD MET A 23 -2.116 -10.630 -3.733 1.00 0.00 S ATOM 322 CE MET A 23 -1.838 -12.395 -3.613 1.00 0.00 C ATOM 0 H MET A 23 -3.619 -8.481 -3.707 1.00 0.00 H new ATOM 0 HA MET A 23 -1.302 -7.910 -5.218 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.936 -9.305 -5.730 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.798 -9.063 -7.041 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.549 -11.284 -5.996 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.083 -10.332 -5.873 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.302 -12.775 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.276 -12.892 -4.479 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.767 -12.593 -3.584 1.00 0.00 H new ATOM 332 N ARG A 24 -4.003 -6.192 -5.957 1.00 0.00 N ATOM 333 CA ARG A 24 -4.497 -5.045 -6.709 1.00 0.00 C ATOM 334 C ARG A 24 -3.672 -3.798 -6.403 1.00 0.00 C ATOM 335 O ARG A 24 -3.095 -3.187 -7.303 1.00 0.00 O ATOM 336 CB ARG A 24 -5.969 -4.789 -6.381 1.00 0.00 C ATOM 337 CG ARG A 24 -6.925 -5.728 -7.097 1.00 0.00 C ATOM 338 CD ARG A 24 -7.323 -5.184 -8.461 1.00 0.00 C ATOM 339 NE ARG A 24 -6.294 -5.426 -9.468 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.330 -4.913 -10.693 1.00 0.00 C ATOM 341 NH1 ARG A 24 -7.339 -4.135 -11.060 1.00 0.00 N ATOM 342 NH2 ARG A 24 -5.356 -5.179 -11.554 1.00 0.00 N ATOM 0 H ARG A 24 -4.670 -6.577 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.402 -5.271 -7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.115 -4.887 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.218 -3.761 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.456 -6.705 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.817 -5.875 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.257 -5.648 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.510 -4.113 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.505 -6.021 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.090 -3.929 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.364 -3.742 -12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.579 -5.778 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.385 -4.785 -12.494 1.00 0.00 H new ATOM 356 N LEU A 25 -3.622 -3.426 -5.129 1.00 0.00 N ATOM 357 CA LEU A 25 -2.869 -2.252 -4.704 1.00 0.00 C ATOM 358 C LEU A 25 -1.422 -2.332 -5.179 1.00 0.00 C ATOM 359 O LEU A 25 -0.797 -1.313 -5.472 1.00 0.00 O ATOM 360 CB LEU A 25 -2.911 -2.118 -3.181 1.00 0.00 C ATOM 361 CG LEU A 25 -2.820 -0.695 -2.629 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.090 0.080 -2.940 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.562 -0.720 -1.129 1.00 0.00 C ATOM 0 H LEU A 25 -4.094 -3.921 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.331 -1.373 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.837 -2.567 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.091 -2.702 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.983 -0.191 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.007 1.090 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.232 0.128 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.943 -0.422 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.500 0.301 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.377 -1.242 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.623 -1.237 -0.930 1.00 0.00 H new ATOM 375 N ASN A 26 -0.896 -3.550 -5.255 1.00 0.00 N ATOM 376 CA ASN A 26 0.478 -3.763 -5.697 1.00 0.00 C ATOM 377 C ASN A 26 0.579 -3.682 -7.217 1.00 0.00 C ATOM 378 O ASN A 26 1.599 -3.255 -7.758 1.00 0.00 O ATOM 379 CB ASN A 26 0.986 -5.123 -5.213 1.00 0.00 C ATOM 380 CG ASN A 26 1.627 -5.046 -3.841 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.518 -4.229 -3.605 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.176 -5.899 -2.928 1.00 0.00 N ATOM 0 H ASN A 26 -1.400 -4.404 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 26 1.098 -2.976 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.156 -5.829 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.710 -5.513 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.570 -5.894 -1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.436 -6.559 -3.168 1.00 0.00 H new ATOM 389 N GLN A 27 -0.485 -4.092 -7.898 1.00 0.00 N ATOM 390 CA GLN A 27 -0.515 -4.066 -9.356 1.00 0.00 C ATOM 391 C GLN A 27 -0.352 -2.642 -9.878 1.00 0.00 C ATOM 392 O GLN A 27 0.471 -2.383 -10.757 1.00 0.00 O ATOM 393 CB GLN A 27 -1.826 -4.663 -9.871 1.00 0.00 C ATOM 394 CG GLN A 27 -1.766 -6.166 -10.087 1.00 0.00 C ATOM 395 CD GLN A 27 -1.309 -6.537 -11.484 1.00 0.00 C ATOM 396 OE1 GLN A 27 -1.929 -6.152 -12.476 1.00 0.00 O ATOM 397 NE2 GLN A 27 -0.218 -7.290 -11.570 1.00 0.00 N ATOM 0 H GLN A 27 -1.338 -4.446 -7.465 1.00 0.00 H new ATOM 0 HA GLN A 27 0.318 -4.666 -9.722 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.622 -4.438 -9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.091 -4.179 -10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.087 -6.607 -9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.751 -6.595 -9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.265 -7.587 -10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.137 -7.571 -12.484 1.00 0.00 H new ATOM 406 N ILE A 28 -1.140 -1.723 -9.331 1.00 0.00 N ATOM 407 CA ILE A 28 -1.082 -0.325 -9.741 1.00 0.00 C ATOM 408 C ILE A 28 0.072 0.400 -9.059 1.00 0.00 C ATOM 409 O ILE A 28 0.726 1.252 -9.661 1.00 0.00 O ATOM 410 CB ILE A 28 -2.397 0.411 -9.422 1.00 0.00 C ATOM 411 CG1 ILE A 28 -2.660 0.399 -7.914 1.00 0.00 C ATOM 412 CG2 ILE A 28 -3.556 -0.227 -10.172 1.00 0.00 C ATOM 413 CD1 ILE A 28 -3.825 1.269 -7.497 1.00 0.00 C ATOM 0 H ILE A 28 -1.826 -1.921 -8.603 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.925 -0.319 -10.820 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.305 1.447 -9.748 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.850 -0.626 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.762 0.734 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.478 0.304 -9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.370 -0.172 -11.245 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.652 -1.271 -9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.953 1.212 -6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.629 2.302 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.733 0.921 -7.989 1.00 0.00 H new ATOM 425 N ARG A 29 0.319 0.056 -7.799 1.00 0.00 N ATOM 426 CA ARG A 29 1.395 0.674 -7.034 1.00 0.00 C ATOM 427 C ARG A 29 2.417 -0.370 -6.593 1.00 0.00 C ATOM 428 O ARG A 29 2.279 -1.008 -5.550 1.00 0.00 O ATOM 429 CB ARG A 29 0.830 1.398 -5.811 1.00 0.00 C ATOM 430 CG ARG A 29 0.545 2.871 -6.053 1.00 0.00 C ATOM 431 CD ARG A 29 -0.868 3.088 -6.571 1.00 0.00 C ATOM 432 NE ARG A 29 -0.926 3.057 -8.030 1.00 0.00 N ATOM 433 CZ ARG A 29 -0.668 4.110 -8.798 1.00 0.00 C ATOM 434 NH1 ARG A 29 -0.333 5.269 -8.249 1.00 0.00 N ATOM 435 NH2 ARG A 29 -0.742 4.003 -10.119 1.00 0.00 N ATOM 0 H ARG A 29 -0.212 -0.648 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 29 1.895 1.398 -7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.091 0.905 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.536 1.304 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.683 3.426 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.262 3.268 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.525 2.319 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.242 4.047 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.178 2.179 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.273 5.354 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.135 6.076 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.997 3.112 -10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.544 4.812 -10.708 1.00 0.00 H new ATOM 449 N PRO A 30 3.469 -0.550 -7.407 1.00 0.00 N ATOM 450 CA PRO A 30 4.535 -1.515 -7.122 1.00 0.00 C ATOM 451 C PRO A 30 5.398 -1.092 -5.938 1.00 0.00 C ATOM 452 O PRO A 30 5.558 0.098 -5.667 1.00 0.00 O ATOM 453 CB PRO A 30 5.361 -1.522 -8.410 1.00 0.00 C ATOM 454 CG PRO A 30 5.112 -0.189 -9.028 1.00 0.00 C ATOM 455 CD PRO A 30 3.698 0.176 -8.667 1.00 0.00 C ATOM 0 HA PRO A 30 4.138 -2.493 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.420 -1.669 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.052 -2.330 -9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.815 0.554 -8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.241 -0.230 -10.110 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.581 1.252 -8.538 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.994 -0.130 -9.441 1.00 0.00 H new ATOM 463 N GLY A 31 5.954 -2.075 -5.235 1.00 0.00 N ATOM 464 CA GLY A 31 6.794 -1.783 -4.089 1.00 0.00 C ATOM 465 C GLY A 31 6.134 -0.831 -3.112 1.00 0.00 C ATOM 466 O GLY A 31 6.456 0.358 -3.079 1.00 0.00 O ATOM 0 H GLY A 31 5.837 -3.068 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.039 -2.713 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.734 -1.352 -4.432 1.00 0.00 H new ATOM 470 N LEU A 32 5.206 -1.351 -2.316 1.00 0.00 N ATOM 471 CA LEU A 32 4.496 -0.538 -1.335 1.00 0.00 C ATOM 472 C LEU A 32 5.069 -0.749 0.063 1.00 0.00 C ATOM 473 O LEU A 32 5.787 -1.717 0.310 1.00 0.00 O ATOM 474 CB LEU A 32 3.005 -0.878 -1.345 1.00 0.00 C ATOM 475 CG LEU A 32 2.211 -0.378 -2.552 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.000 -1.264 -2.799 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.783 1.068 -2.348 1.00 0.00 C ATOM 0 H LEU A 32 4.928 -2.332 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 32 4.624 0.510 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.899 -1.961 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.553 -0.467 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 32 2.855 -0.425 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.447 -0.892 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.329 -2.285 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.354 -1.250 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.219 1.407 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.157 1.140 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.666 1.694 -2.222 1.00 0.00 H new ATOM 489 N GLN A 33 4.743 0.162 0.974 1.00 0.00 N ATOM 490 CA GLN A 33 5.224 0.074 2.348 1.00 0.00 C ATOM 491 C GLN A 33 4.088 0.309 3.338 1.00 0.00 C ATOM 492 O GLN A 33 3.552 1.414 3.433 1.00 0.00 O ATOM 493 CB GLN A 33 6.342 1.091 2.585 1.00 0.00 C ATOM 494 CG GLN A 33 5.929 2.527 2.303 1.00 0.00 C ATOM 495 CD GLN A 33 7.115 3.436 2.048 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.759 3.355 1.001 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.410 4.308 3.005 1.00 0.00 N ATOM 0 H GLN A 33 4.148 0.969 0.786 1.00 0.00 H new ATOM 0 HA GLN A 33 5.617 -0.930 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.678 1.015 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.193 0.836 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.268 2.547 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.358 2.910 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.849 4.340 3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.198 4.946 2.889 1.00 0.00 H new ATOM 506 N TYR A 34 3.725 -0.736 4.073 1.00 0.00 N ATOM 507 CA TYR A 34 2.651 -0.644 5.055 1.00 0.00 C ATOM 508 C TYR A 34 3.212 -0.544 6.470 1.00 0.00 C ATOM 509 O TYR A 34 3.845 -1.476 6.967 1.00 0.00 O ATOM 510 CB TYR A 34 1.727 -1.858 4.945 1.00 0.00 C ATOM 511 CG TYR A 34 1.227 -2.114 3.542 1.00 0.00 C ATOM 512 CD1 TYR A 34 0.151 -1.402 3.026 1.00 0.00 C ATOM 513 CD2 TYR A 34 1.831 -3.067 2.731 1.00 0.00 C ATOM 514 CE1 TYR A 34 -0.310 -1.633 1.744 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.378 -3.304 1.447 1.00 0.00 C ATOM 516 CZ TYR A 34 0.307 -2.585 0.959 1.00 0.00 C ATOM 517 OH TYR A 34 -0.148 -2.817 -0.319 1.00 0.00 O ATOM 0 H TYR A 34 4.159 -1.657 4.007 1.00 0.00 H new ATOM 0 HA TYR A 34 2.079 0.260 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.258 -2.741 5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.872 -1.714 5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.333 -0.655 3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.669 -3.632 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.148 -1.072 1.359 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.860 -4.048 0.830 1.00 0.00 H new ATOM 0 HH TYR A 34 0.396 -3.517 -0.738 1.00 0.00 H new ATOM 527 N LYS A 35 2.976 0.593 7.114 1.00 0.00 N ATOM 528 CA LYS A 35 3.455 0.817 8.473 1.00 0.00 C ATOM 529 C LYS A 35 2.362 0.512 9.492 1.00 0.00 C ATOM 530 O LYS A 35 1.173 0.542 9.171 1.00 0.00 O ATOM 531 CB LYS A 35 3.929 2.263 8.636 1.00 0.00 C ATOM 532 CG LYS A 35 5.072 2.420 9.624 1.00 0.00 C ATOM 533 CD LYS A 35 6.365 1.837 9.079 1.00 0.00 C ATOM 534 CE LYS A 35 7.175 2.883 8.327 1.00 0.00 C ATOM 535 NZ LYS A 35 8.603 2.485 8.190 1.00 0.00 N ATOM 0 H LYS A 35 2.455 1.375 6.717 1.00 0.00 H new ATOM 0 HA LYS A 35 4.293 0.143 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.244 2.645 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.090 2.877 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.215 3.476 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.815 1.925 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.959 1.436 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.138 1.004 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.744 3.034 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.112 3.837 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.121 3.223 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.022 2.365 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.665 1.588 7.668 1.00 0.00 H new ATOM 549 N LEU A 36 2.772 0.219 10.722 1.00 0.00 N ATOM 550 CA LEU A 36 1.827 -0.091 11.789 1.00 0.00 C ATOM 551 C LEU A 36 1.717 1.071 12.772 1.00 0.00 C ATOM 552 O LEU A 36 2.438 1.125 13.769 1.00 0.00 O ATOM 553 CB LEU A 36 2.259 -1.359 12.527 1.00 0.00 C ATOM 554 CG LEU A 36 1.149 -2.131 13.241 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.346 -2.954 12.245 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.734 -3.025 14.325 1.00 0.00 C ATOM 0 H LEU A 36 3.752 0.190 11.004 1.00 0.00 H new ATOM 0 HA LEU A 36 0.848 -0.256 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.736 -2.028 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.016 -1.087 13.263 1.00 0.00 H new ATOM 0 HG LEU A 36 0.478 -1.413 13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.439 -3.497 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.103 -2.292 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.005 -3.664 11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.930 -3.567 14.823 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.427 -3.736 13.875 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.265 -2.413 15.054 1.00 0.00 H new ATOM 568 N LEU A 37 0.808 1.996 12.486 1.00 0.00 N ATOM 569 CA LEU A 37 0.601 3.156 13.346 1.00 0.00 C ATOM 570 C LEU A 37 0.737 2.775 14.817 1.00 0.00 C ATOM 571 O LEU A 37 1.536 3.360 15.548 1.00 0.00 O ATOM 572 CB LEU A 37 -0.780 3.765 13.091 1.00 0.00 C ATOM 573 CG LEU A 37 -1.045 4.253 11.667 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.540 4.372 11.413 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.353 5.586 11.422 1.00 0.00 C ATOM 0 H LEU A 37 0.203 1.966 11.666 1.00 0.00 H new ATOM 0 HA LEU A 37 1.367 3.894 13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.535 3.022 13.346 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.916 4.604 13.773 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.636 3.521 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.709 4.721 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.010 3.398 11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.973 5.083 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.553 5.918 10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.732 6.327 12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.722 5.469 11.561 1.00 0.00 H new ATOM 587 N SER A 38 -0.047 1.790 15.243 1.00 0.00 N ATOM 588 CA SER A 38 -0.015 1.332 16.627 1.00 0.00 C ATOM 589 C SER A 38 -0.920 0.118 16.818 1.00 0.00 C ATOM 590 O SER A 38 -1.893 -0.064 16.087 1.00 0.00 O ATOM 591 CB SER A 38 -0.446 2.457 17.569 1.00 0.00 C ATOM 592 OG SER A 38 -0.137 2.141 18.916 1.00 0.00 O ATOM 0 H SER A 38 -0.712 1.294 14.650 1.00 0.00 H new ATOM 0 HA SER A 38 1.008 1.042 16.864 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.053 3.384 17.286 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.518 2.629 17.469 1.00 0.00 H new ATOM 0 HG SER A 38 -0.421 2.877 19.498 1.00 0.00 H new ATOM 598 N GLN A 39 -0.591 -0.707 17.806 1.00 0.00 N ATOM 599 CA GLN A 39 -1.374 -1.904 18.094 1.00 0.00 C ATOM 600 C GLN A 39 -2.195 -1.724 19.367 1.00 0.00 C ATOM 601 O GLN A 39 -1.713 -1.169 20.355 1.00 0.00 O ATOM 602 CB GLN A 39 -0.455 -3.118 18.233 1.00 0.00 C ATOM 603 CG GLN A 39 -1.202 -4.438 18.332 1.00 0.00 C ATOM 604 CD GLN A 39 -0.317 -5.576 18.803 1.00 0.00 C ATOM 605 OE1 GLN A 39 0.480 -6.116 18.036 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.453 -5.946 20.071 1.00 0.00 N ATOM 0 H GLN A 39 0.211 -0.569 18.420 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.059 -2.069 17.262 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.218 -3.154 17.376 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.166 -2.994 19.120 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.040 -4.326 19.020 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.621 -4.688 17.357 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.126 -5.470 20.672 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.116 -6.706 20.444 1.00 0.00 H new ATOM 615 N SER A 40 -3.436 -2.197 19.336 1.00 0.00 N ATOM 616 CA SER A 40 -4.326 -2.085 20.486 1.00 0.00 C ATOM 617 C SER A 40 -5.058 -3.400 20.737 1.00 0.00 C ATOM 618 O SER A 40 -5.516 -4.057 19.802 1.00 0.00 O ATOM 619 CB SER A 40 -5.338 -0.959 20.267 1.00 0.00 C ATOM 620 OG SER A 40 -5.881 -1.008 18.959 1.00 0.00 O ATOM 0 H SER A 40 -3.849 -2.662 18.527 1.00 0.00 H new ATOM 0 HA SER A 40 -3.720 -1.854 21.362 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.140 -1.039 21.000 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.855 0.005 20.428 1.00 0.00 H new ATOM 0 HG SER A 40 -6.526 -0.279 18.845 1.00 0.00 H new ATOM 626 N GLY A 41 -5.164 -3.779 22.007 1.00 0.00 N ATOM 627 CA GLY A 41 -5.840 -5.013 22.359 1.00 0.00 C ATOM 628 C GLY A 41 -4.931 -5.986 23.083 1.00 0.00 C ATOM 629 O GLY A 41 -3.781 -5.678 23.398 1.00 0.00 O ATOM 0 H GLY A 41 -4.793 -3.253 22.798 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.699 -4.786 22.990 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.224 -5.484 21.454 1.00 0.00 H new ATOM 633 N PRO A 42 -5.449 -7.192 23.359 1.00 0.00 N ATOM 634 CA PRO A 42 -4.693 -8.238 24.055 1.00 0.00 C ATOM 635 C PRO A 42 -3.569 -8.809 23.197 1.00 0.00 C ATOM 636 O PRO A 42 -3.303 -8.320 22.099 1.00 0.00 O ATOM 637 CB PRO A 42 -5.748 -9.311 24.337 1.00 0.00 C ATOM 638 CG PRO A 42 -6.786 -9.106 23.287 1.00 0.00 C ATOM 639 CD PRO A 42 -6.813 -7.628 23.014 1.00 0.00 C ATOM 0 HA PRO A 42 -4.202 -7.858 24.951 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.320 -10.312 24.281 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.168 -9.200 25.337 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.543 -9.665 22.384 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.760 -9.458 23.627 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.051 -7.416 21.972 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.563 -7.121 23.621 1.00 0.00 H new ATOM 647 N VAL A 43 -2.913 -9.848 23.704 1.00 0.00 N ATOM 648 CA VAL A 43 -1.818 -10.486 22.983 1.00 0.00 C ATOM 649 C VAL A 43 -2.341 -11.539 22.012 1.00 0.00 C ATOM 650 O VAL A 43 -1.749 -11.775 20.958 1.00 0.00 O ATOM 651 CB VAL A 43 -0.819 -11.148 23.951 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.367 -12.471 24.463 1.00 0.00 C ATOM 653 CG2 VAL A 43 0.528 -11.346 23.272 1.00 0.00 C ATOM 0 H VAL A 43 -3.121 -10.266 24.611 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.306 -9.702 22.425 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.676 -10.487 24.806 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.647 -12.923 25.145 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.306 -12.297 24.989 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.541 -13.142 23.622 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.222 -11.815 23.970 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.404 -11.986 22.398 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.924 -10.379 22.961 1.00 0.00 H new ATOM 663 N HIS A 44 -3.453 -12.170 22.373 1.00 0.00 N ATOM 664 CA HIS A 44 -4.057 -13.198 21.533 1.00 0.00 C ATOM 665 C HIS A 44 -4.992 -12.575 20.500 1.00 0.00 C ATOM 666 O HIS A 44 -5.123 -13.077 19.384 1.00 0.00 O ATOM 667 CB HIS A 44 -4.824 -14.203 22.392 1.00 0.00 C ATOM 668 CG HIS A 44 -6.105 -13.661 22.949 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.351 -13.619 22.423 1.00 0.00 N flip ATOM 670 CD2 HIS A 44 -6.195 -13.073 24.193 1.00 0.00 C flip ATOM 671 CE1 HIS A 44 -8.164 -13.014 23.350 1.00 0.00 C flip ATOM 672 NE2 HIS A 44 -7.442 -12.695 24.409 1.00 0.00 N flip ATOM 0 H HIS A 44 -3.955 -11.988 23.242 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.257 -13.718 21.006 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.043 -15.087 21.794 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.187 -14.525 23.216 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.374 -12.942 24.883 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.222 -12.829 23.232 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.789 -12.235 25.251 1.00 0.00 H new ATOM 681 N ALA A 45 -5.641 -11.480 20.881 1.00 0.00 N ATOM 682 CA ALA A 45 -6.563 -10.788 19.988 1.00 0.00 C ATOM 683 C ALA A 45 -6.166 -9.326 19.815 1.00 0.00 C ATOM 684 O ALA A 45 -6.982 -8.415 19.958 1.00 0.00 O ATOM 685 CB ALA A 45 -7.986 -10.892 20.516 1.00 0.00 C ATOM 0 H ALA A 45 -5.546 -11.053 21.802 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.514 -11.268 19.011 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.664 -10.371 19.840 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.274 -11.941 20.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.041 -10.438 21.506 1.00 0.00 H new ATOM 691 N PRO A 46 -4.883 -9.094 19.500 1.00 0.00 N ATOM 692 CA PRO A 46 -4.349 -7.743 19.300 1.00 0.00 C ATOM 693 C PRO A 46 -4.882 -7.091 18.028 1.00 0.00 C ATOM 694 O PRO A 46 -5.241 -7.777 17.071 1.00 0.00 O ATOM 695 CB PRO A 46 -2.839 -7.971 19.192 1.00 0.00 C ATOM 696 CG PRO A 46 -2.701 -9.375 18.715 1.00 0.00 C ATOM 697 CD PRO A 46 -3.855 -10.131 19.313 1.00 0.00 C ATOM 0 HA PRO A 46 -4.635 -7.068 20.106 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.382 -7.269 18.495 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.347 -7.830 20.155 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.726 -9.421 17.626 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.749 -9.802 19.030 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.201 -10.925 18.651 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.581 -10.600 20.258 1.00 0.00 H new ATOM 705 N VAL A 47 -4.930 -5.763 18.025 1.00 0.00 N ATOM 706 CA VAL A 47 -5.417 -5.018 16.870 1.00 0.00 C ATOM 707 C VAL A 47 -4.270 -4.340 16.130 1.00 0.00 C ATOM 708 O VAL A 47 -3.697 -3.363 16.612 1.00 0.00 O ATOM 709 CB VAL A 47 -6.448 -3.951 17.284 1.00 0.00 C ATOM 710 CG1 VAL A 47 -7.093 -3.327 16.057 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.501 -4.556 18.201 1.00 0.00 C ATOM 0 H VAL A 47 -4.638 -5.181 18.810 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.897 -5.739 16.208 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.930 -3.164 17.832 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.818 -2.576 16.370 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.326 -2.857 15.442 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.598 -4.100 15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.221 -3.788 18.484 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.016 -5.363 17.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.021 -4.950 19.096 1.00 0.00 H new ATOM 721 N PHE A 48 -3.939 -4.865 14.954 1.00 0.00 N ATOM 722 CA PHE A 48 -2.860 -4.311 14.146 1.00 0.00 C ATOM 723 C PHE A 48 -3.388 -3.244 13.191 1.00 0.00 C ATOM 724 O PHE A 48 -4.084 -3.550 12.223 1.00 0.00 O ATOM 725 CB PHE A 48 -2.165 -5.421 13.355 1.00 0.00 C ATOM 726 CG PHE A 48 -1.272 -6.287 14.195 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.784 -7.384 14.869 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.080 -6.005 14.311 1.00 0.00 C ATOM 729 CE1 PHE A 48 -0.964 -8.183 15.644 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.904 -6.801 15.085 1.00 0.00 C ATOM 731 CZ PHE A 48 0.382 -7.892 15.751 1.00 0.00 C ATOM 0 H PHE A 48 -4.403 -5.673 14.540 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.138 -3.847 14.818 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.921 -6.046 12.880 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.575 -4.972 12.556 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.835 -7.618 14.788 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.495 -5.154 13.791 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.376 -9.034 16.166 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.956 -6.569 15.169 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.025 -8.516 16.354 1.00 0.00 H new ATOM 741 N THR A 49 -3.051 -1.988 13.471 1.00 0.00 N ATOM 742 CA THR A 49 -3.492 -0.875 12.640 1.00 0.00 C ATOM 743 C THR A 49 -2.425 -0.496 11.619 1.00 0.00 C ATOM 744 O THR A 49 -1.399 0.086 11.967 1.00 0.00 O ATOM 745 CB THR A 49 -3.833 0.361 13.492 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.914 0.060 14.381 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.210 1.540 12.608 1.00 0.00 C ATOM 0 H THR A 49 -2.474 -1.717 14.267 1.00 0.00 H new ATOM 0 HA THR A 49 -4.390 -1.206 12.118 1.00 0.00 H new ATOM 0 HB THR A 49 -2.950 0.630 14.072 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.124 0.851 14.921 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.447 2.402 13.232 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.374 1.785 11.953 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.080 1.279 12.005 1.00 0.00 H new ATOM 755 N MET A 50 -2.676 -0.830 10.357 1.00 0.00 N ATOM 756 CA MET A 50 -1.737 -0.522 9.285 1.00 0.00 C ATOM 757 C MET A 50 -2.117 0.779 8.586 1.00 0.00 C ATOM 758 O MET A 50 -3.270 1.208 8.637 1.00 0.00 O ATOM 759 CB MET A 50 -1.695 -1.666 8.270 1.00 0.00 C ATOM 760 CG MET A 50 -0.652 -2.725 8.591 1.00 0.00 C ATOM 761 SD MET A 50 1.029 -2.171 8.248 1.00 0.00 S ATOM 762 CE MET A 50 1.973 -3.299 9.270 1.00 0.00 C ATOM 0 H MET A 50 -3.521 -1.313 10.052 1.00 0.00 H new ATOM 0 HA MET A 50 -0.748 -0.401 9.727 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.677 -2.137 8.225 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.492 -1.256 7.281 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.732 -3.001 9.642 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.860 -3.623 8.009 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.577 -2.731 9.977 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.292 -3.951 9.817 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.625 -3.903 8.639 1.00 0.00 H new ATOM 772 N SER A 51 -1.141 1.403 7.934 1.00 0.00 N ATOM 773 CA SER A 51 -1.374 2.658 7.228 1.00 0.00 C ATOM 774 C SER A 51 -0.487 2.757 5.990 1.00 0.00 C ATOM 775 O SER A 51 0.720 2.528 6.057 1.00 0.00 O ATOM 776 CB SER A 51 -1.110 3.846 8.155 1.00 0.00 C ATOM 777 OG SER A 51 0.268 3.952 8.468 1.00 0.00 O ATOM 0 H SER A 51 -0.182 1.060 7.880 1.00 0.00 H new ATOM 0 HA SER A 51 -2.416 2.680 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.450 4.766 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.687 3.731 9.073 1.00 0.00 H new ATOM 0 HG SER A 51 0.795 3.487 7.785 1.00 0.00 H new ATOM 783 N VAL A 52 -1.096 3.101 4.860 1.00 0.00 N ATOM 784 CA VAL A 52 -0.364 3.232 3.606 1.00 0.00 C ATOM 785 C VAL A 52 -0.621 4.589 2.959 1.00 0.00 C ATOM 786 O VAL A 52 -1.618 5.249 3.252 1.00 0.00 O ATOM 787 CB VAL A 52 -0.748 2.120 2.612 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.056 2.457 1.913 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.366 1.903 1.599 1.00 0.00 C ATOM 0 H VAL A 52 -2.095 3.294 4.787 1.00 0.00 H new ATOM 0 HA VAL A 52 0.695 3.142 3.847 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.889 1.193 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.311 1.660 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.849 2.558 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.947 3.395 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.078 1.114 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.541 2.826 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.279 1.613 2.119 1.00 0.00 H new ATOM 799 N ASP A 53 0.284 4.998 2.077 1.00 0.00 N ATOM 800 CA ASP A 53 0.155 6.276 1.386 1.00 0.00 C ATOM 801 C ASP A 53 0.039 6.069 -0.121 1.00 0.00 C ATOM 802 O ASP A 53 0.971 5.591 -0.766 1.00 0.00 O ATOM 803 CB ASP A 53 1.354 7.173 1.700 1.00 0.00 C ATOM 804 CG ASP A 53 1.274 7.783 3.085 1.00 0.00 C ATOM 805 OD1 ASP A 53 1.647 7.096 4.059 1.00 0.00 O ATOM 806 OD2 ASP A 53 0.839 8.948 3.196 1.00 0.00 O ATOM 0 H ASP A 53 1.115 4.463 1.823 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.754 6.762 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.272 6.591 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.412 7.970 0.958 1.00 0.00 H new ATOM 811 N VAL A 54 -1.113 6.433 -0.675 1.00 0.00 N ATOM 812 CA VAL A 54 -1.352 6.288 -2.106 1.00 0.00 C ATOM 813 C VAL A 54 -2.032 7.526 -2.678 1.00 0.00 C ATOM 814 O VAL A 54 -3.060 7.974 -2.169 1.00 0.00 O ATOM 815 CB VAL A 54 -2.221 5.053 -2.408 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.532 4.968 -3.894 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.531 3.785 -1.926 1.00 0.00 C ATOM 0 H VAL A 54 -1.895 6.830 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.378 6.162 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.163 5.154 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.147 4.089 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.071 5.863 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.602 4.891 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.159 2.922 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.573 3.676 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.366 3.847 -0.850 1.00 0.00 H new ATOM 827 N ASP A 55 -1.453 8.075 -3.741 1.00 0.00 N ATOM 828 CA ASP A 55 -2.004 9.262 -4.384 1.00 0.00 C ATOM 829 C ASP A 55 -2.243 10.371 -3.365 1.00 0.00 C ATOM 830 O ASP A 55 -3.341 10.919 -3.274 1.00 0.00 O ATOM 831 CB ASP A 55 -3.312 8.919 -5.100 1.00 0.00 C ATOM 832 CG ASP A 55 -3.584 9.834 -6.278 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.641 10.098 -7.054 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.739 10.284 -6.425 1.00 0.00 O ATOM 0 H ASP A 55 -0.602 7.717 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.280 9.617 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.273 7.886 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.139 8.987 -4.393 1.00 0.00 H new ATOM 839 N GLY A 56 -1.207 10.698 -2.599 1.00 0.00 N ATOM 840 CA GLY A 56 -1.325 11.739 -1.595 1.00 0.00 C ATOM 841 C GLY A 56 -2.439 11.466 -0.605 1.00 0.00 C ATOM 842 O GLY A 56 -2.855 12.358 0.136 1.00 0.00 O ATOM 0 H GLY A 56 -0.287 10.260 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.381 11.831 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.506 12.695 -2.087 1.00 0.00 H new ATOM 846 N THR A 57 -2.927 10.230 -0.591 1.00 0.00 N ATOM 847 CA THR A 57 -4.002 9.842 0.314 1.00 0.00 C ATOM 848 C THR A 57 -3.550 8.741 1.266 1.00 0.00 C ATOM 849 O THR A 57 -3.313 7.606 0.852 1.00 0.00 O ATOM 850 CB THR A 57 -5.241 9.356 -0.462 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.388 10.108 -1.672 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.498 9.496 0.383 1.00 0.00 C ATOM 0 H THR A 57 -2.595 9.480 -1.197 1.00 0.00 H new ATOM 0 HA THR A 57 -4.266 10.730 0.889 1.00 0.00 H new ATOM 0 HB THR A 57 -5.100 8.303 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.657 9.887 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.360 9.147 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.395 8.899 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.641 10.543 0.652 1.00 0.00 H new ATOM 860 N THR A 58 -3.431 9.084 2.545 1.00 0.00 N ATOM 861 CA THR A 58 -3.006 8.125 3.557 1.00 0.00 C ATOM 862 C THR A 58 -4.189 7.318 4.081 1.00 0.00 C ATOM 863 O THR A 58 -5.117 7.872 4.672 1.00 0.00 O ATOM 864 CB THR A 58 -2.312 8.826 4.740 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.316 9.733 4.256 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.671 7.809 5.671 1.00 0.00 C ATOM 0 H THR A 58 -3.623 10.019 2.904 1.00 0.00 H new ATOM 0 HA THR A 58 -2.296 7.453 3.076 1.00 0.00 H new ATOM 0 HB THR A 58 -3.066 9.381 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.476 9.249 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.187 8.328 6.499 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.437 7.139 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.928 7.230 5.122 1.00 0.00 H new ATOM 874 N TYR A 59 -4.149 6.009 3.863 1.00 0.00 N ATOM 875 CA TYR A 59 -5.219 5.126 4.313 1.00 0.00 C ATOM 876 C TYR A 59 -4.837 4.425 5.613 1.00 0.00 C ATOM 877 O TYR A 59 -3.657 4.230 5.901 1.00 0.00 O ATOM 878 CB TYR A 59 -5.539 4.089 3.236 1.00 0.00 C ATOM 879 CG TYR A 59 -6.118 4.685 1.973 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.294 5.232 0.998 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.491 4.702 1.755 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.819 5.779 -0.157 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.024 5.245 0.603 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.185 5.783 -0.350 1.00 0.00 C ATOM 885 OH TYR A 59 -7.711 6.326 -1.500 1.00 0.00 O ATOM 0 H TYR A 59 -3.387 5.535 3.377 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.105 5.734 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.628 3.544 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.244 3.363 3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.224 5.230 1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.152 4.283 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.164 6.201 -0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.093 5.248 0.449 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.070 6.222 -2.234 1.00 0.00 H new ATOM 895 N GLU A 60 -5.845 4.048 6.393 1.00 0.00 N ATOM 896 CA GLU A 60 -5.615 3.369 7.663 1.00 0.00 C ATOM 897 C GLU A 60 -6.687 2.312 7.916 1.00 0.00 C ATOM 898 O GLU A 60 -7.882 2.601 7.867 1.00 0.00 O ATOM 899 CB GLU A 60 -5.598 4.379 8.811 1.00 0.00 C ATOM 900 CG GLU A 60 -4.583 5.495 8.625 1.00 0.00 C ATOM 901 CD GLU A 60 -5.000 6.783 9.309 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.764 7.559 8.699 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.562 7.013 10.456 1.00 0.00 O ATOM 0 H GLU A 60 -6.828 4.201 6.168 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.645 2.874 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.591 4.816 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.382 3.855 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.619 5.174 9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.445 5.682 7.560 1.00 0.00 H new ATOM 910 N ALA A 61 -6.249 1.087 8.186 1.00 0.00 N ATOM 911 CA ALA A 61 -7.169 -0.012 8.449 1.00 0.00 C ATOM 912 C ALA A 61 -6.632 -0.928 9.544 1.00 0.00 C ATOM 913 O ALA A 61 -5.468 -1.327 9.517 1.00 0.00 O ATOM 914 CB ALA A 61 -7.424 -0.803 7.174 1.00 0.00 C ATOM 0 H ALA A 61 -5.263 0.831 8.228 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.112 0.411 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.113 -1.621 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.859 -0.147 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.483 -1.208 6.803 1.00 0.00 H new ATOM 920 N SER A 62 -7.488 -1.257 10.506 1.00 0.00 N ATOM 921 CA SER A 62 -7.098 -2.123 11.613 1.00 0.00 C ATOM 922 C SER A 62 -7.748 -3.497 11.483 1.00 0.00 C ATOM 923 O SER A 62 -8.881 -3.619 11.020 1.00 0.00 O ATOM 924 CB SER A 62 -7.488 -1.485 12.948 1.00 0.00 C ATOM 925 OG SER A 62 -8.864 -1.680 13.223 1.00 0.00 O ATOM 0 H SER A 62 -8.456 -0.937 10.541 1.00 0.00 H new ATOM 0 HA SER A 62 -6.016 -2.249 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.889 -1.917 13.750 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.266 -0.418 12.923 1.00 0.00 H new ATOM 0 HG SER A 62 -9.088 -1.265 14.082 1.00 0.00 H new ATOM 931 N GLY A 63 -7.020 -4.530 11.896 1.00 0.00 N ATOM 932 CA GLY A 63 -7.541 -5.883 11.818 1.00 0.00 C ATOM 933 C GLY A 63 -7.088 -6.746 12.979 1.00 0.00 C ATOM 934 O GLY A 63 -6.344 -6.305 13.855 1.00 0.00 O ATOM 0 H GLY A 63 -6.079 -4.455 12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.630 -5.849 11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.219 -6.340 10.882 1.00 0.00 H new ATOM 938 N PRO A 64 -7.542 -8.008 12.995 1.00 0.00 N ATOM 939 CA PRO A 64 -7.192 -8.962 14.052 1.00 0.00 C ATOM 940 C PRO A 64 -5.728 -9.385 13.990 1.00 0.00 C ATOM 941 O PRO A 64 -5.158 -9.829 14.986 1.00 0.00 O ATOM 942 CB PRO A 64 -8.107 -10.156 13.769 1.00 0.00 C ATOM 943 CG PRO A 64 -8.404 -10.068 12.312 1.00 0.00 C ATOM 944 CD PRO A 64 -8.431 -8.601 11.982 1.00 0.00 C ATOM 0 HA PRO A 64 -7.322 -8.535 15.046 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.617 -11.098 14.017 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.020 -10.105 14.363 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.644 -10.586 11.727 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.360 -10.538 12.080 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.072 -8.410 10.971 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.440 -8.193 12.045 1.00 0.00 H new ATOM 952 N SER A 65 -5.126 -9.245 12.813 1.00 0.00 N ATOM 953 CA SER A 65 -3.729 -9.617 12.620 1.00 0.00 C ATOM 954 C SER A 65 -3.074 -8.737 11.560 1.00 0.00 C ATOM 955 O SER A 65 -3.721 -8.313 10.602 1.00 0.00 O ATOM 956 CB SER A 65 -3.622 -11.088 12.216 1.00 0.00 C ATOM 957 OG SER A 65 -4.278 -11.924 13.154 1.00 0.00 O ATOM 0 H SER A 65 -5.584 -8.877 11.979 1.00 0.00 H new ATOM 0 HA SER A 65 -3.205 -9.469 13.564 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.061 -11.230 11.228 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.572 -11.373 12.142 1.00 0.00 H new ATOM 0 HG SER A 65 -4.196 -12.859 12.872 1.00 0.00 H new ATOM 963 N LYS A 66 -1.786 -8.466 11.738 1.00 0.00 N ATOM 964 CA LYS A 66 -1.040 -7.638 10.797 1.00 0.00 C ATOM 965 C LYS A 66 -1.364 -8.024 9.358 1.00 0.00 C ATOM 966 O LYS A 66 -1.796 -7.190 8.562 1.00 0.00 O ATOM 967 CB LYS A 66 0.463 -7.774 11.047 1.00 0.00 C ATOM 968 CG LYS A 66 1.259 -6.541 10.656 1.00 0.00 C ATOM 969 CD LYS A 66 2.741 -6.721 10.935 1.00 0.00 C ATOM 970 CE LYS A 66 3.062 -6.506 12.406 1.00 0.00 C ATOM 971 NZ LYS A 66 4.355 -7.137 12.791 1.00 0.00 N ATOM 0 H LYS A 66 -1.236 -8.808 12.526 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.335 -6.600 10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.629 -7.984 12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.839 -8.631 10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.110 -6.332 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.887 -5.677 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.049 -7.723 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.314 -6.018 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.103 -5.437 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.260 -6.920 13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.537 -6.968 13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.308 -8.161 12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.125 -6.724 12.227 1.00 0.00 H new ATOM 985 N LYS A 67 -1.154 -9.294 9.029 1.00 0.00 N ATOM 986 CA LYS A 67 -1.425 -9.793 7.686 1.00 0.00 C ATOM 987 C LYS A 67 -2.724 -9.207 7.140 1.00 0.00 C ATOM 988 O LYS A 67 -2.789 -8.782 5.986 1.00 0.00 O ATOM 989 CB LYS A 67 -1.506 -11.321 7.693 1.00 0.00 C ATOM 990 CG LYS A 67 -2.511 -11.872 8.690 1.00 0.00 C ATOM 991 CD LYS A 67 -2.259 -13.342 8.982 1.00 0.00 C ATOM 992 CE LYS A 67 -2.674 -14.221 7.812 1.00 0.00 C ATOM 993 NZ LYS A 67 -4.155 -14.307 7.682 1.00 0.00 N ATOM 0 H LYS A 67 -0.796 -9.998 9.675 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.605 -9.482 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.771 -11.667 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.521 -11.728 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.455 -11.301 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.520 -11.746 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.201 -13.495 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.811 -13.637 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.251 -13.822 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.262 -15.221 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.401 -15.053 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.572 -14.532 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.528 -13.396 7.347 1.00 0.00 H new ATOM 1007 N THR A 68 -3.756 -9.186 7.978 1.00 0.00 N ATOM 1008 CA THR A 68 -5.052 -8.652 7.580 1.00 0.00 C ATOM 1009 C THR A 68 -4.993 -7.139 7.405 1.00 0.00 C ATOM 1010 O THR A 68 -5.325 -6.614 6.343 1.00 0.00 O ATOM 1011 CB THR A 68 -6.143 -8.996 8.612 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.968 -10.338 9.080 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.530 -8.840 8.007 1.00 0.00 C ATOM 0 H THR A 68 -3.719 -9.533 8.937 1.00 0.00 H new ATOM 0 HA THR A 68 -5.305 -9.116 6.627 1.00 0.00 H new ATOM 0 HB THR A 68 -6.051 -8.305 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.664 -10.549 9.737 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.283 -9.088 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.670 -7.810 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.632 -9.510 7.153 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.569 -6.442 8.454 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.464 -4.989 8.415 1.00 0.00 C ATOM 1023 C ALA A 69 -4.035 -4.507 7.033 1.00 0.00 C ATOM 1024 O ALA A 69 -4.682 -3.646 6.436 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.485 -4.502 9.473 1.00 0.00 C ATOM 0 H ALA A 69 -4.292 -6.861 9.342 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.449 -4.572 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.416 -3.415 9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.834 -4.807 10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.502 -4.935 9.286 1.00 0.00 H new ATOM 1031 N LYS A 70 -2.941 -5.066 6.530 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.425 -4.694 5.217 1.00 0.00 C ATOM 1033 C LYS A 70 -3.468 -4.944 4.132 1.00 0.00 C ATOM 1034 O LYS A 70 -3.639 -4.131 3.223 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.150 -5.481 4.906 1.00 0.00 C ATOM 1036 CG LYS A 70 0.121 -4.787 5.365 1.00 0.00 C ATOM 1037 CD LYS A 70 1.206 -5.789 5.719 1.00 0.00 C ATOM 1038 CE LYS A 70 1.797 -6.434 4.475 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.028 -7.213 4.785 1.00 0.00 N ATOM 0 H LYS A 70 -2.393 -5.779 7.011 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.192 -3.629 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.212 -6.459 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.092 -5.653 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.479 -4.124 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.097 -4.163 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.995 -5.289 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.792 -6.560 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.056 -7.092 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.031 -5.662 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.400 -7.637 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.745 -6.581 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.800 -7.966 5.465 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.162 -6.072 4.234 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.190 -6.428 3.262 1.00 0.00 C ATOM 1055 C LEU A 71 -6.340 -5.427 3.294 1.00 0.00 C ATOM 1056 O LEU A 71 -6.847 -5.014 2.251 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.717 -7.837 3.541 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.936 -8.271 2.726 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.503 -8.871 1.397 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.777 -9.265 3.513 1.00 0.00 C ATOM 0 H LEU A 71 -4.032 -6.756 4.980 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.740 -6.405 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.911 -8.548 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.969 -7.906 4.599 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.546 -7.391 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.384 -9.174 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.943 -8.129 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.872 -9.741 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.640 -9.563 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.177 -10.144 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.117 -8.801 4.439 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.747 -5.039 4.499 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.836 -4.083 4.667 1.00 0.00 C ATOM 1074 C HIS A 72 -7.489 -2.745 4.021 1.00 0.00 C ATOM 1075 O HIS A 72 -8.159 -2.302 3.088 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.142 -3.882 6.151 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.901 -5.018 6.765 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.715 -4.870 7.869 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -8.969 -6.326 6.422 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.248 -6.038 8.179 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.812 -6.938 7.317 1.00 0.00 N ATOM 0 H HIS A 72 -6.339 -5.372 5.373 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.720 -4.486 4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.205 -3.747 6.692 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.716 -2.964 6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.456 -6.800 5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.926 -6.225 8.999 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.061 -7.927 7.316 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.439 -2.105 4.525 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.002 -0.817 3.998 1.00 0.00 C ATOM 1092 C VAL A 73 -6.230 -0.735 2.493 1.00 0.00 C ATOM 1093 O VAL A 73 -6.855 0.204 2.000 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.513 -0.565 4.295 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -3.985 0.582 3.446 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.306 -0.281 5.776 1.00 0.00 C ATOM 0 H VAL A 73 -5.875 -2.457 5.298 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.598 -0.052 4.496 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.952 -1.464 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.931 0.745 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.098 0.335 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.548 1.489 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.248 -0.105 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.878 0.602 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.644 -1.136 6.361 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.719 -1.724 1.767 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.868 -1.764 0.318 1.00 0.00 C ATOM 1108 C ALA A 74 -7.332 -1.627 -0.087 1.00 0.00 C ATOM 1109 O ALA A 74 -7.693 -0.736 -0.856 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.284 -3.055 -0.237 1.00 0.00 C ATOM 0 H ALA A 74 -5.198 -2.508 2.159 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.321 -0.920 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.402 -3.072 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.225 -3.112 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.806 -3.907 0.198 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.172 -2.515 0.435 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.597 -2.492 0.128 1.00 0.00 C ATOM 1118 C VAL A 75 -10.136 -1.066 0.125 1.00 0.00 C ATOM 1119 O VAL A 75 -10.857 -0.664 -0.788 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.402 -3.331 1.138 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.888 -3.274 0.816 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.906 -4.769 1.151 1.00 0.00 C ATOM 0 H VAL A 75 -7.890 -3.259 1.073 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.713 -2.923 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.254 -2.910 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.440 -3.873 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.231 -2.240 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.059 -3.668 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.486 -5.347 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.023 -5.203 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.854 -4.788 1.434 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.780 -0.303 1.154 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.225 1.081 1.271 1.00 0.00 C ATOM 1134 C LYS A 76 -9.765 1.904 0.072 1.00 0.00 C ATOM 1135 O LYS A 76 -10.561 2.599 -0.559 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.693 1.702 2.564 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.497 1.323 3.796 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.649 1.385 5.056 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.504 1.622 6.292 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.255 0.400 6.689 1.00 0.00 N ATOM 0 H LYS A 76 -9.184 -0.620 1.919 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.315 1.085 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.658 1.393 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.690 2.787 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.349 1.995 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.897 0.316 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.095 0.453 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.914 2.184 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.868 1.942 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.206 2.433 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.825 0.602 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.881 0.109 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.584 -0.367 6.899 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.475 1.820 -0.237 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.909 2.555 -1.362 1.00 0.00 C ATOM 1156 C VAL A 77 -8.727 2.336 -2.629 1.00 0.00 C ATOM 1157 O VAL A 77 -9.313 3.273 -3.173 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.450 2.138 -1.628 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.833 3.013 -2.709 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.635 2.207 -0.345 1.00 0.00 C ATOM 0 H VAL A 77 -7.802 1.250 0.276 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.934 3.611 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.443 1.107 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.802 2.704 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.404 2.909 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.850 4.054 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.607 1.909 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.647 3.227 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.066 1.534 0.397 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.764 1.092 -3.095 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.512 0.748 -4.300 1.00 0.00 C ATOM 1172 C LEU A 78 -10.901 1.378 -4.277 1.00 0.00 C ATOM 1173 O LEU A 78 -11.350 1.949 -5.270 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.630 -0.771 -4.434 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.327 -1.560 -4.305 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.601 -3.055 -4.356 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.350 -1.157 -5.400 1.00 0.00 C ATOM 0 H LEU A 78 -8.285 0.305 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.970 1.141 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.325 -1.130 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.073 -0.997 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.877 -1.327 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.662 -3.600 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.264 -3.332 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.074 -3.306 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.428 -1.728 -5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.792 -1.361 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.129 -0.093 -5.317 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.575 1.271 -3.136 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.912 1.832 -2.984 1.00 0.00 C ATOM 1191 C GLN A 79 -12.905 3.335 -3.244 1.00 0.00 C ATOM 1192 O GLN A 79 -13.831 3.874 -3.849 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.451 1.547 -1.581 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.885 0.105 -1.377 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.109 -0.236 0.083 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -13.499 0.359 0.972 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.986 -1.199 0.338 1.00 0.00 N ATOM 0 H GLN A 79 -11.217 0.801 -2.304 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.563 1.358 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.682 1.793 -0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.299 2.204 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.805 -0.076 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.127 -0.560 -1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.469 -1.665 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.177 -1.473 1.302 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.854 4.005 -2.781 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.726 5.446 -2.965 1.00 0.00 C ATOM 1208 C ALA A 80 -11.615 5.803 -4.443 1.00 0.00 C ATOM 1209 O ALA A 80 -12.249 6.747 -4.913 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.520 5.970 -2.201 1.00 0.00 C ATOM 0 H ALA A 80 -11.080 3.573 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.625 5.919 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.436 7.047 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.641 5.756 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.617 5.483 -2.568 1.00 0.00 H new ATOM 1216 N MET A 81 -10.804 5.042 -5.171 1.00 0.00 N ATOM 1217 CA MET A 81 -10.610 5.279 -6.597 1.00 0.00 C ATOM 1218 C MET A 81 -11.831 4.832 -7.394 1.00 0.00 C ATOM 1219 O MET A 81 -12.079 5.321 -8.495 1.00 0.00 O ATOM 1220 CB MET A 81 -9.365 4.541 -7.094 1.00 0.00 C ATOM 1221 CG MET A 81 -8.133 4.782 -6.236 1.00 0.00 C ATOM 1222 SD MET A 81 -6.599 4.677 -7.177 1.00 0.00 S ATOM 1223 CE MET A 81 -6.110 2.987 -6.841 1.00 0.00 C ATOM 0 H MET A 81 -10.271 4.257 -4.797 1.00 0.00 H new ATOM 0 HA MET A 81 -10.473 6.350 -6.746 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.574 3.472 -7.123 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.152 4.852 -8.117 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.204 5.766 -5.774 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.109 4.051 -5.428 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.162 2.983 -6.304 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.874 2.501 -6.233 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.997 2.447 -7.781 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.592 3.899 -6.829 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.778 3.401 -7.501 1.00 0.00 C ATOM 1235 C GLY A 82 -13.525 2.100 -8.236 1.00 0.00 C ATOM 1236 O GLY A 82 -14.066 1.875 -9.319 1.00 0.00 O ATOM 0 H GLY A 82 -12.408 3.479 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.571 3.252 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.133 4.151 -8.208 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.701 1.240 -7.647 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.374 -0.044 -8.254 1.00 0.00 C ATOM 1242 C TYR A 83 -13.109 -1.182 -7.552 1.00 0.00 C ATOM 1243 O TYR A 83 -13.503 -1.077 -6.390 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.865 -0.288 -8.202 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.105 0.379 -9.326 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.346 0.039 -10.651 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.144 1.347 -9.063 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.653 0.644 -11.682 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.448 1.959 -10.087 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.706 1.604 -11.394 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.013 2.211 -12.417 1.00 0.00 O ATOM 0 H TYR A 83 -12.247 1.410 -6.749 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.695 -0.016 -9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.479 0.074 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.678 -1.361 -8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.088 -0.712 -10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.938 1.626 -8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.852 0.367 -12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.706 2.711 -9.865 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.384 2.864 -12.044 1.00 0.00 H new