USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 24 THR OG1 : rot -110:sc= 0.362! USER MOD Set 1.2: A 27 ASN : amide:sc= -2.32! C(o=-2!,f=-14!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00888 K(o=-0.0089,f=-1.2!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0215 K(o=-0.021,f=-1) USER MOD Single : A 45 TYR OH : rot 50:sc= -6.69! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.97 K(o=-0.97,f=-2.7!) USER MOD Single : A 54 HIS : no HD1:sc= -4.89! C(o=-4.9!,f=-4.8!) USER MOD Single : A 55 ASN : amide:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -169:sc= -3.65 (180deg=-4.38!) USER MOD Single : A 63 THR OG1 : rot -107:sc= -0.351! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.021) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -3.52! C(o=-4.4!,f=-3.5!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.683) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0502 F(o=-0.91,f=-0.05) USER MOD Single : A 88 SER OG : rot 180:sc= -1.02 USER MOD Single : A 89 CYS SG : rot 108:sc= -0.683 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.14) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.261 -9.601 0.564 1.00 0.00 N ATOM 277 CA TRP A 23 -1.418 -8.211 0.172 1.00 0.00 C ATOM 278 C TRP A 23 -0.025 -7.626 -0.068 1.00 0.00 C ATOM 279 O TRP A 23 0.649 -7.212 0.874 1.00 0.00 O ATOM 280 CB TRP A 23 -2.221 -7.434 1.218 1.00 0.00 C ATOM 281 CG TRP A 23 -3.732 -7.654 1.132 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.569 -8.021 2.112 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.558 -7.506 -0.042 1.00 0.00 C ATOM 284 NE1 TRP A 23 -5.869 -8.120 1.657 1.00 0.00 N ATOM 285 CE2 TRP A 23 -5.861 -7.796 0.305 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.214 -7.138 -1.355 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -6.926 -7.749 -0.603 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.290 -7.096 -2.251 1.00 0.00 C ATOM 289 CH2 TRP A 23 -6.607 -7.385 -1.917 1.00 0.00 C ATOM 0 HA TRP A 23 -1.991 -8.134 -0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.878 -7.722 2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.012 -6.370 1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.265 -8.215 3.130 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.685 -8.382 2.211 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.201 -6.906 -1.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.938 -7.981 -0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.081 -6.819 -3.274 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.382 -7.329 -2.668 1.00 0.00 H new ATOM 300 N THR A 24 0.366 -7.612 -1.334 1.00 0.00 N ATOM 301 CA THR A 24 1.667 -7.084 -1.709 1.00 0.00 C ATOM 302 C THR A 24 1.540 -5.632 -2.173 1.00 0.00 C ATOM 303 O THR A 24 0.499 -5.230 -2.691 1.00 0.00 O ATOM 304 CB THR A 24 2.264 -8.011 -2.770 1.00 0.00 C ATOM 305 OG1 THR A 24 1.540 -7.693 -3.956 1.00 0.00 O ATOM 306 CG2 THR A 24 1.934 -9.483 -2.515 1.00 0.00 C ATOM 0 H THR A 24 -0.195 -7.958 -2.113 1.00 0.00 H new ATOM 0 HA THR A 24 2.346 -7.061 -0.856 1.00 0.00 H new ATOM 0 HB THR A 24 3.346 -7.882 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.957 -8.444 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.381 -10.097 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.332 -9.783 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.853 -9.620 -2.521 1.00 0.00 H new ATOM 314 N LEU A 25 2.615 -4.884 -1.970 1.00 0.00 N ATOM 315 CA LEU A 25 2.637 -3.485 -2.361 1.00 0.00 C ATOM 316 C LEU A 25 1.822 -3.304 -3.643 1.00 0.00 C ATOM 317 O LEU A 25 1.029 -2.370 -3.753 1.00 0.00 O ATOM 318 CB LEU A 25 4.078 -2.983 -2.473 1.00 0.00 C ATOM 319 CG LEU A 25 4.683 -2.390 -1.199 1.00 0.00 C ATOM 320 CD1 LEU A 25 6.202 -2.566 -1.180 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.273 -0.925 -1.027 1.00 0.00 C ATOM 0 H LEU A 25 3.477 -5.221 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 25 2.167 -2.869 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.706 -3.812 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.118 -2.227 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 25 4.285 -2.938 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.607 -2.136 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.446 -3.628 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.638 -2.060 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.716 -0.528 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.623 -0.346 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.187 -0.856 -0.963 1.00 0.00 H new ATOM 333 N GLU A 26 2.044 -4.214 -4.580 1.00 0.00 N ATOM 334 CA GLU A 26 1.340 -4.167 -5.850 1.00 0.00 C ATOM 335 C GLU A 26 -0.159 -4.386 -5.634 1.00 0.00 C ATOM 336 O GLU A 26 -0.967 -3.506 -5.927 1.00 0.00 O ATOM 337 CB GLU A 26 1.908 -5.195 -6.831 1.00 0.00 C ATOM 338 CG GLU A 26 3.205 -4.689 -7.465 1.00 0.00 C ATOM 339 CD GLU A 26 3.543 -5.481 -8.730 1.00 0.00 C ATOM 340 OE1 GLU A 26 2.594 -5.763 -9.492 1.00 0.00 O ATOM 341 OE2 GLU A 26 4.742 -5.786 -8.905 1.00 0.00 O ATOM 0 H GLU A 26 2.701 -4.988 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 26 1.484 -3.179 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.096 -6.134 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.175 -5.403 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.106 -3.631 -7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.022 -4.775 -6.749 1.00 0.00 H new ATOM 348 N ASN A 27 -0.485 -5.564 -5.124 1.00 0.00 N ATOM 349 CA ASN A 27 -1.873 -5.910 -4.866 1.00 0.00 C ATOM 350 C ASN A 27 -2.547 -4.764 -4.110 1.00 0.00 C ATOM 351 O ASN A 27 -3.510 -4.174 -4.599 1.00 0.00 O ATOM 352 CB ASN A 27 -1.975 -7.170 -4.004 1.00 0.00 C ATOM 353 CG ASN A 27 -1.235 -8.340 -4.653 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.433 -9.021 -4.035 1.00 0.00 O ATOM 355 ND2 ASN A 27 -1.547 -8.536 -5.931 1.00 0.00 N ATOM 0 H ASN A 27 0.188 -6.291 -4.882 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.360 -6.088 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.557 -6.974 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.023 -7.433 -3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.106 -9.293 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.227 -7.929 -6.389 1.00 0.00 H new ATOM 362 N ALA A 28 -2.015 -4.482 -2.929 1.00 0.00 N ATOM 363 CA ALA A 28 -2.553 -3.416 -2.101 1.00 0.00 C ATOM 364 C ALA A 28 -3.036 -2.274 -2.997 1.00 0.00 C ATOM 365 O ALA A 28 -4.227 -1.972 -3.037 1.00 0.00 O ATOM 366 CB ALA A 28 -1.490 -2.962 -1.098 1.00 0.00 C ATOM 0 H ALA A 28 -1.217 -4.973 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.410 -3.770 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.894 -2.162 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.203 -3.803 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.615 -2.597 -1.636 1.00 0.00 H new ATOM 372 N LYS A 29 -2.084 -1.669 -3.694 1.00 0.00 N ATOM 373 CA LYS A 29 -2.397 -0.566 -4.586 1.00 0.00 C ATOM 374 C LYS A 29 -3.545 -0.975 -5.512 1.00 0.00 C ATOM 375 O LYS A 29 -4.566 -0.292 -5.579 1.00 0.00 O ATOM 376 CB LYS A 29 -1.142 -0.106 -5.330 1.00 0.00 C ATOM 377 CG LYS A 29 -1.143 1.412 -5.520 1.00 0.00 C ATOM 378 CD LYS A 29 -0.696 1.788 -6.935 1.00 0.00 C ATOM 379 CE LYS A 29 -1.736 2.675 -7.621 1.00 0.00 C ATOM 380 NZ LYS A 29 -2.652 1.857 -8.446 1.00 0.00 N ATOM 0 H LYS A 29 -1.097 -1.922 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.738 0.299 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.254 -0.406 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.090 -0.598 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.143 1.805 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.478 1.874 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.260 2.310 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.539 0.884 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.305 3.224 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.236 3.414 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.352 2.475 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.107 1.352 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.143 1.168 -7.841 1.00 0.00 H new ATOM 394 N ALA A 30 -3.339 -2.087 -6.202 1.00 0.00 N ATOM 395 CA ALA A 30 -4.344 -2.594 -7.121 1.00 0.00 C ATOM 396 C ALA A 30 -5.701 -2.635 -6.414 1.00 0.00 C ATOM 397 O ALA A 30 -6.591 -1.845 -6.726 1.00 0.00 O ATOM 398 CB ALA A 30 -3.915 -3.968 -7.638 1.00 0.00 C ATOM 0 H ALA A 30 -2.491 -2.651 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.442 -1.936 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.668 -4.349 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.960 -3.880 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.810 -4.656 -6.799 1.00 0.00 H new ATOM 404 N ARG A 31 -5.816 -3.562 -5.475 1.00 0.00 N ATOM 405 CA ARG A 31 -7.048 -3.716 -4.722 1.00 0.00 C ATOM 406 C ARG A 31 -7.655 -2.346 -4.411 1.00 0.00 C ATOM 407 O ARG A 31 -8.802 -2.077 -4.765 1.00 0.00 O ATOM 408 CB ARG A 31 -6.803 -4.467 -3.411 1.00 0.00 C ATOM 409 CG ARG A 31 -8.042 -4.424 -2.515 1.00 0.00 C ATOM 410 CD ARG A 31 -9.230 -5.116 -3.188 1.00 0.00 C ATOM 411 NE ARG A 31 -10.480 -4.793 -2.464 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.688 -5.258 -2.809 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.818 -6.068 -3.868 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.768 -4.912 -2.094 1.00 0.00 N ATOM 0 H ARG A 31 -5.075 -4.215 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.740 -4.294 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.540 -5.503 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.956 -4.025 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.824 -4.910 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.298 -3.388 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.308 -4.795 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.075 -6.195 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.418 -4.178 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.997 -6.331 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.738 -6.421 -4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.670 -4.295 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.688 -5.266 -2.356 1.00 0.00 H new ATOM 428 N LEU A 32 -6.858 -1.518 -3.752 1.00 0.00 N ATOM 429 CA LEU A 32 -7.302 -0.182 -3.390 1.00 0.00 C ATOM 430 C LEU A 32 -8.058 0.436 -4.568 1.00 0.00 C ATOM 431 O LEU A 32 -9.165 0.944 -4.401 1.00 0.00 O ATOM 432 CB LEU A 32 -6.122 0.661 -2.905 1.00 0.00 C ATOM 433 CG LEU A 32 -6.478 1.989 -2.233 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.459 1.774 -1.079 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.217 2.732 -1.784 1.00 0.00 C ATOM 0 H LEU A 32 -5.908 -1.746 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.998 -0.225 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.540 0.065 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.475 0.870 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.979 2.620 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.695 2.733 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.374 1.319 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.008 1.116 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.498 3.672 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.666 2.117 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.587 2.937 -2.650 1.00 0.00 H new ATOM 447 N ASN A 33 -7.428 0.374 -5.732 1.00 0.00 N ATOM 448 CA ASN A 33 -8.027 0.922 -6.937 1.00 0.00 C ATOM 449 C ASN A 33 -9.329 0.177 -7.238 1.00 0.00 C ATOM 450 O ASN A 33 -10.314 0.785 -7.655 1.00 0.00 O ATOM 451 CB ASN A 33 -7.097 0.752 -8.140 1.00 0.00 C ATOM 452 CG ASN A 33 -7.559 1.616 -9.315 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.233 2.620 -9.154 1.00 0.00 O ATOM 454 ND2 ASN A 33 -7.158 1.172 -10.503 1.00 0.00 N ATOM 0 H ASN A 33 -6.509 -0.047 -5.866 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.211 1.983 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.080 1.026 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.073 -0.295 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.413 1.680 -11.350 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.595 0.324 -10.567 1.00 0.00 H new ATOM 461 N GLN A 34 -9.293 -1.128 -7.014 1.00 0.00 N ATOM 462 CA GLN A 34 -10.458 -1.962 -7.256 1.00 0.00 C ATOM 463 C GLN A 34 -11.611 -1.539 -6.345 1.00 0.00 C ATOM 464 O GLN A 34 -12.762 -1.488 -6.777 1.00 0.00 O ATOM 465 CB GLN A 34 -10.122 -3.442 -7.065 1.00 0.00 C ATOM 466 CG GLN A 34 -9.844 -4.120 -8.409 1.00 0.00 C ATOM 467 CD GLN A 34 -11.016 -5.009 -8.828 1.00 0.00 C ATOM 468 OE1 GLN A 34 -11.865 -4.630 -9.617 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.015 -6.210 -8.256 1.00 0.00 N ATOM 0 H GLN A 34 -8.475 -1.629 -6.667 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.770 -1.825 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.251 -3.540 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.950 -3.945 -6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.667 -3.363 -9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.936 -4.719 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.273 -6.464 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.756 -6.877 -8.470 1.00 0.00 H new ATOM 478 N TYR A 35 -11.264 -1.248 -5.100 1.00 0.00 N ATOM 479 CA TYR A 35 -12.256 -0.831 -4.123 1.00 0.00 C ATOM 480 C TYR A 35 -12.909 0.490 -4.535 1.00 0.00 C ATOM 481 O TYR A 35 -14.093 0.707 -4.281 1.00 0.00 O ATOM 482 CB TYR A 35 -11.496 -0.624 -2.812 1.00 0.00 C ATOM 483 CG TYR A 35 -12.312 0.076 -1.724 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.339 -0.595 -1.091 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.022 1.380 -1.375 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.107 0.064 -0.067 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.790 2.039 -0.351 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.795 1.348 0.253 1.00 0.00 C ATOM 489 OH TYR A 35 -14.520 1.971 1.220 1.00 0.00 O ATOM 0 H TYR A 35 -10.309 -1.293 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.045 -1.577 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.167 -1.593 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.599 -0.038 -3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.566 -1.615 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.219 1.906 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.913 -0.450 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.574 3.059 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.185 2.883 1.344 1.00 0.00 H new ATOM 499 N PHE A 36 -12.109 1.338 -5.164 1.00 0.00 N ATOM 500 CA PHE A 36 -12.594 2.632 -5.613 1.00 0.00 C ATOM 501 C PHE A 36 -13.319 2.510 -6.955 1.00 0.00 C ATOM 502 O PHE A 36 -14.122 3.371 -7.311 1.00 0.00 O ATOM 503 CB PHE A 36 -11.370 3.533 -5.788 1.00 0.00 C ATOM 504 CG PHE A 36 -10.645 3.858 -4.480 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.347 3.960 -3.320 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.298 4.045 -4.479 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.674 4.261 -2.107 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.625 4.346 -3.265 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.327 4.448 -2.105 1.00 0.00 C ATOM 0 H PHE A 36 -11.128 1.154 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.297 3.038 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.670 3.049 -6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.682 4.465 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.417 3.812 -3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.741 3.965 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.232 4.342 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.555 4.494 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.815 4.677 -1.182 1.00 0.00 H new ATOM 519 N GLN A 37 -13.010 1.433 -7.662 1.00 0.00 N ATOM 520 CA GLN A 37 -13.621 1.187 -8.957 1.00 0.00 C ATOM 521 C GLN A 37 -14.972 0.489 -8.783 1.00 0.00 C ATOM 522 O GLN A 37 -15.931 0.801 -9.486 1.00 0.00 O ATOM 523 CB GLN A 37 -12.693 0.368 -9.856 1.00 0.00 C ATOM 524 CG GLN A 37 -11.631 1.259 -10.505 1.00 0.00 C ATOM 525 CD GLN A 37 -11.790 1.282 -12.026 1.00 0.00 C ATOM 526 OE1 GLN A 37 -12.383 2.181 -12.601 1.00 0.00 O ATOM 527 NE2 GLN A 37 -11.230 0.247 -12.645 1.00 0.00 N ATOM 0 H GLN A 37 -12.344 0.721 -7.362 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.790 2.147 -9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.209 -0.413 -9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.277 -0.130 -10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.712 2.272 -10.112 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.637 0.895 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.748 -0.471 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.282 0.171 -13.661 1.00 0.00 H new ATOM 536 N LYS A 38 -15.003 -0.442 -7.841 1.00 0.00 N ATOM 537 CA LYS A 38 -16.219 -1.187 -7.565 1.00 0.00 C ATOM 538 C LYS A 38 -17.248 -0.255 -6.921 1.00 0.00 C ATOM 539 O LYS A 38 -18.377 -0.147 -7.397 1.00 0.00 O ATOM 540 CB LYS A 38 -15.908 -2.431 -6.729 1.00 0.00 C ATOM 541 CG LYS A 38 -15.644 -3.642 -7.626 1.00 0.00 C ATOM 542 CD LYS A 38 -16.957 -4.253 -8.122 1.00 0.00 C ATOM 543 CE LYS A 38 -16.703 -5.567 -8.865 1.00 0.00 C ATOM 544 NZ LYS A 38 -17.981 -6.162 -9.314 1.00 0.00 N ATOM 0 H LYS A 38 -14.205 -0.697 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.658 -1.556 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.038 -2.243 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.743 -2.643 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.034 -3.342 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.076 -4.391 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.622 -4.431 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.463 -3.549 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.057 -5.387 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.179 -6.265 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.792 -7.053 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.585 -6.351 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.466 -5.501 -9.953 1.00 0.00 H new ATOM 558 N GLU A 39 -16.820 0.394 -5.848 1.00 0.00 N ATOM 559 CA GLU A 39 -17.690 1.313 -5.133 1.00 0.00 C ATOM 560 C GLU A 39 -17.902 2.588 -5.952 1.00 0.00 C ATOM 561 O GLU A 39 -18.781 3.391 -5.641 1.00 0.00 O ATOM 562 CB GLU A 39 -17.126 1.639 -3.749 1.00 0.00 C ATOM 563 CG GLU A 39 -17.333 0.469 -2.784 1.00 0.00 C ATOM 564 CD GLU A 39 -18.083 0.921 -1.529 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.106 1.619 -1.700 1.00 0.00 O ATOM 566 OE2 GLU A 39 -17.617 0.557 -0.428 1.00 0.00 O ATOM 0 H GLU A 39 -15.883 0.302 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.657 0.830 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.063 1.865 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.613 2.531 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.893 -0.323 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.367 0.049 -2.504 1.00 0.00 H new ATOM 573 N LYS A 40 -17.082 2.734 -6.983 1.00 0.00 N ATOM 574 CA LYS A 40 -17.169 3.898 -7.849 1.00 0.00 C ATOM 575 C LYS A 40 -16.627 5.122 -7.108 1.00 0.00 C ATOM 576 O LYS A 40 -16.802 6.253 -7.558 1.00 0.00 O ATOM 577 CB LYS A 40 -18.598 4.076 -8.366 1.00 0.00 C ATOM 578 CG LYS A 40 -19.171 2.746 -8.862 1.00 0.00 C ATOM 579 CD LYS A 40 -19.284 2.733 -10.388 1.00 0.00 C ATOM 580 CE LYS A 40 -20.748 2.790 -10.830 1.00 0.00 C ATOM 581 NZ LYS A 40 -20.861 2.524 -12.281 1.00 0.00 N ATOM 0 H LYS A 40 -16.355 2.066 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.549 3.760 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.229 4.474 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.607 4.805 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.532 1.926 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.153 2.582 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.742 3.582 -10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.816 1.831 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.331 2.057 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.166 3.770 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.861 2.566 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.321 3.239 -12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.481 1.579 -12.491 1.00 0.00 H new ATOM 595 N ILE A 41 -15.979 4.853 -5.984 1.00 0.00 N ATOM 596 CA ILE A 41 -15.410 5.919 -5.176 1.00 0.00 C ATOM 597 C ILE A 41 -14.228 6.542 -5.921 1.00 0.00 C ATOM 598 O ILE A 41 -13.747 5.985 -6.907 1.00 0.00 O ATOM 599 CB ILE A 41 -15.052 5.401 -3.781 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.289 4.852 -3.066 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.347 6.481 -2.959 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.901 3.791 -2.035 1.00 0.00 C ATOM 0 H ILE A 41 -15.835 3.913 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.143 6.711 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.351 4.574 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.820 5.666 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.974 4.421 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.104 6.087 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.430 6.783 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -15.004 7.344 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.798 3.418 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.392 2.967 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.235 4.231 -1.293 1.00 0.00 H new ATOM 614 N GLN A 42 -13.795 7.691 -5.422 1.00 0.00 N ATOM 615 CA GLN A 42 -12.679 8.396 -6.029 1.00 0.00 C ATOM 616 C GLN A 42 -11.630 8.742 -4.969 1.00 0.00 C ATOM 617 O GLN A 42 -11.947 9.369 -3.959 1.00 0.00 O ATOM 618 CB GLN A 42 -13.156 9.654 -6.759 1.00 0.00 C ATOM 619 CG GLN A 42 -14.111 10.467 -5.882 1.00 0.00 C ATOM 620 CD GLN A 42 -14.316 11.872 -6.452 1.00 0.00 C ATOM 621 OE1 GLN A 42 -13.430 12.465 -7.045 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.531 12.369 -6.241 1.00 0.00 N ATOM 0 H GLN A 42 -14.197 8.151 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.219 7.740 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.298 10.267 -7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.657 9.373 -7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -15.071 9.955 -5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.712 10.536 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.226 11.819 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.768 13.300 -6.583 1.00 0.00 H new ATOM 631 N GLY A 43 -10.404 8.319 -5.236 1.00 0.00 N ATOM 632 CA GLY A 43 -9.307 8.576 -4.318 1.00 0.00 C ATOM 633 C GLY A 43 -7.990 8.758 -5.075 1.00 0.00 C ATOM 634 O GLY A 43 -7.664 7.969 -5.961 1.00 0.00 O ATOM 0 H GLY A 43 -10.145 7.800 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.520 9.470 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.215 7.748 -3.615 1.00 0.00 H new ATOM 638 N GLU A 44 -7.268 9.803 -4.699 1.00 0.00 N ATOM 639 CA GLU A 44 -5.993 10.099 -5.331 1.00 0.00 C ATOM 640 C GLU A 44 -4.873 10.108 -4.289 1.00 0.00 C ATOM 641 O GLU A 44 -5.137 10.172 -3.089 1.00 0.00 O ATOM 642 CB GLU A 44 -6.051 11.429 -6.085 1.00 0.00 C ATOM 643 CG GLU A 44 -6.406 11.210 -7.557 1.00 0.00 C ATOM 644 CD GLU A 44 -5.534 12.078 -8.467 1.00 0.00 C ATOM 645 OE1 GLU A 44 -4.430 11.605 -8.815 1.00 0.00 O ATOM 646 OE2 GLU A 44 -5.990 13.195 -8.793 1.00 0.00 O ATOM 0 H GLU A 44 -7.541 10.456 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.780 9.315 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.791 12.082 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.089 11.935 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.273 10.159 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.457 11.447 -7.720 1.00 0.00 H new ATOM 653 N TYR A 45 -3.646 10.042 -4.785 1.00 0.00 N ATOM 654 CA TYR A 45 -2.485 10.042 -3.911 1.00 0.00 C ATOM 655 C TYR A 45 -1.739 11.376 -3.990 1.00 0.00 C ATOM 656 O TYR A 45 -1.557 11.926 -5.075 1.00 0.00 O ATOM 657 CB TYR A 45 -1.570 8.929 -4.427 1.00 0.00 C ATOM 658 CG TYR A 45 -2.126 7.519 -4.216 1.00 0.00 C ATOM 659 CD1 TYR A 45 -3.059 7.007 -5.095 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.695 6.760 -3.147 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.582 5.680 -4.897 1.00 0.00 C ATOM 662 CE2 TYR A 45 -2.219 5.433 -2.949 1.00 0.00 C ATOM 663 CZ TYR A 45 -3.136 4.959 -3.834 1.00 0.00 C ATOM 664 OH TYR A 45 -3.630 3.705 -3.646 1.00 0.00 O ATOM 0 H TYR A 45 -3.431 9.988 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.785 9.891 -2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.392 9.083 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.604 9.006 -3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.397 7.601 -5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.965 7.161 -2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.312 5.267 -5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.891 4.828 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.567 3.200 -4.483 1.00 0.00 H new ATOM 674 N LYS A 46 -1.328 11.856 -2.826 1.00 0.00 N ATOM 675 CA LYS A 46 -0.606 13.115 -2.749 1.00 0.00 C ATOM 676 C LYS A 46 0.877 12.833 -2.502 1.00 0.00 C ATOM 677 O LYS A 46 1.257 12.390 -1.419 1.00 0.00 O ATOM 678 CB LYS A 46 -1.240 14.033 -1.702 1.00 0.00 C ATOM 679 CG LYS A 46 -0.483 15.359 -1.605 1.00 0.00 C ATOM 680 CD LYS A 46 -1.295 16.500 -2.221 1.00 0.00 C ATOM 681 CE LYS A 46 -0.378 17.532 -2.881 1.00 0.00 C ATOM 682 NZ LYS A 46 -0.348 17.336 -4.348 1.00 0.00 N ATOM 0 H LYS A 46 -1.481 11.396 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.676 13.653 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.281 14.223 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.239 13.538 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.268 15.584 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.476 15.273 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.989 16.099 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.895 16.982 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.727 18.538 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.630 17.444 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.279 18.044 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.007 16.382 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.308 17.443 -4.732 1.00 0.00 H new ATOM 696 N TYR A 47 1.676 13.102 -3.525 1.00 0.00 N ATOM 697 CA TYR A 47 3.109 12.883 -3.432 1.00 0.00 C ATOM 698 C TYR A 47 3.826 14.144 -2.946 1.00 0.00 C ATOM 699 O TYR A 47 3.680 15.212 -3.537 1.00 0.00 O ATOM 700 CB TYR A 47 3.579 12.559 -4.852 1.00 0.00 C ATOM 701 CG TYR A 47 2.799 11.426 -5.522 1.00 0.00 C ATOM 702 CD1 TYR A 47 2.937 10.130 -5.068 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.957 11.700 -6.581 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.202 9.064 -5.698 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.223 10.634 -7.211 1.00 0.00 C ATOM 706 CZ TYR A 47 1.382 9.368 -6.739 1.00 0.00 C ATOM 707 OH TYR A 47 0.688 8.361 -7.335 1.00 0.00 O ATOM 0 H TYR A 47 1.358 13.469 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 47 3.330 12.083 -2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.495 13.456 -5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.635 12.291 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.596 9.915 -4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.849 12.714 -6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.300 8.046 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.561 10.835 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 47 0.142 8.726 -8.063 1.00 0.00 H new ATOM 717 N THR A 48 4.587 13.977 -1.874 1.00 0.00 N ATOM 718 CA THR A 48 5.327 15.088 -1.301 1.00 0.00 C ATOM 719 C THR A 48 6.832 14.817 -1.366 1.00 0.00 C ATOM 720 O THR A 48 7.353 14.007 -0.601 1.00 0.00 O ATOM 721 CB THR A 48 4.812 15.318 0.121 1.00 0.00 C ATOM 722 OG1 THR A 48 3.519 15.886 -0.066 1.00 0.00 O ATOM 723 CG2 THR A 48 5.594 16.405 0.859 1.00 0.00 C ATOM 0 H THR A 48 4.707 13.089 -1.387 1.00 0.00 H new ATOM 0 HA THR A 48 5.168 16.004 -1.871 1.00 0.00 H new ATOM 0 HB THR A 48 4.870 14.386 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.111 16.066 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.187 16.528 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.643 16.117 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.510 17.346 0.316 1.00 0.00 H new ATOM 731 N GLN A 49 7.487 15.509 -2.286 1.00 0.00 N ATOM 732 CA GLN A 49 8.921 15.353 -2.460 1.00 0.00 C ATOM 733 C GLN A 49 9.670 15.969 -1.277 1.00 0.00 C ATOM 734 O GLN A 49 9.397 17.104 -0.888 1.00 0.00 O ATOM 735 CB GLN A 49 9.383 15.969 -3.782 1.00 0.00 C ATOM 736 CG GLN A 49 10.899 15.846 -3.945 1.00 0.00 C ATOM 737 CD GLN A 49 11.601 17.145 -3.543 1.00 0.00 C ATOM 738 OE1 GLN A 49 11.004 18.206 -3.472 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.898 17.002 -3.287 1.00 0.00 N ATOM 0 H GLN A 49 7.051 16.179 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 49 9.149 14.288 -2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.883 15.472 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.094 17.019 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.269 15.024 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.139 15.604 -4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.335 16.084 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.456 17.810 -3.012 1.00 0.00 H new ATOM 748 N VAL A 50 10.599 15.194 -0.738 1.00 0.00 N ATOM 749 CA VAL A 50 11.389 15.650 0.394 1.00 0.00 C ATOM 750 C VAL A 50 12.857 15.282 0.166 1.00 0.00 C ATOM 751 O VAL A 50 13.184 14.583 -0.792 1.00 0.00 O ATOM 752 CB VAL A 50 10.823 15.074 1.693 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.471 15.704 2.029 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.714 13.550 1.615 1.00 0.00 C ATOM 0 H VAL A 50 10.823 14.254 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 50 11.336 16.735 0.485 1.00 0.00 H new ATOM 0 HB VAL A 50 11.516 15.320 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.091 15.277 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.591 16.781 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.766 15.504 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.309 13.166 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.053 13.274 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.702 13.123 1.445 1.00 0.00 H new ATOM 764 N GLY A 51 13.702 15.770 1.062 1.00 0.00 N ATOM 765 CA GLY A 51 15.127 15.501 0.971 1.00 0.00 C ATOM 766 C GLY A 51 15.739 16.195 -0.247 1.00 0.00 C ATOM 767 O GLY A 51 15.031 16.839 -1.020 1.00 0.00 O ATOM 0 H GLY A 51 13.427 16.350 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.624 15.845 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.294 14.426 0.904 1.00 0.00 H new ATOM 771 N PRO A 52 17.083 16.037 -0.384 1.00 0.00 N ATOM 772 CA PRO A 52 17.798 16.641 -1.495 1.00 0.00 C ATOM 773 C PRO A 52 17.541 15.875 -2.794 1.00 0.00 C ATOM 774 O PRO A 52 17.187 14.697 -2.765 1.00 0.00 O ATOM 775 CB PRO A 52 19.259 16.627 -1.077 1.00 0.00 C ATOM 776 CG PRO A 52 19.363 15.602 0.041 1.00 0.00 C ATOM 777 CD PRO A 52 17.954 15.283 0.512 1.00 0.00 C ATOM 0 HA PRO A 52 17.467 17.658 -1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.902 16.358 -1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.577 17.612 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.861 14.699 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.961 15.994 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.750 14.214 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.807 15.581 1.550 1.00 0.00 H new ATOM 785 N ASP A 53 17.729 16.574 -3.904 1.00 0.00 N ATOM 786 CA ASP A 53 17.522 15.974 -5.211 1.00 0.00 C ATOM 787 C ASP A 53 18.330 14.679 -5.307 1.00 0.00 C ATOM 788 O ASP A 53 17.774 13.615 -5.575 1.00 0.00 O ATOM 789 CB ASP A 53 17.993 16.909 -6.327 1.00 0.00 C ATOM 790 CG ASP A 53 17.491 16.549 -7.727 1.00 0.00 C ATOM 791 OD1 ASP A 53 17.876 15.461 -8.205 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.733 17.371 -8.286 1.00 0.00 O ATOM 0 H ASP A 53 18.023 17.551 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 53 16.456 15.781 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.670 17.923 -6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 53 19.083 16.916 -6.339 1.00 0.00 H new ATOM 797 N HIS A 54 19.629 14.811 -5.082 1.00 0.00 N ATOM 798 CA HIS A 54 20.519 13.664 -5.140 1.00 0.00 C ATOM 799 C HIS A 54 19.845 12.458 -4.482 1.00 0.00 C ATOM 800 O HIS A 54 19.890 11.351 -5.016 1.00 0.00 O ATOM 801 CB HIS A 54 21.876 13.998 -4.516 1.00 0.00 C ATOM 802 CG HIS A 54 22.025 13.536 -3.086 1.00 0.00 C ATOM 803 ND1 HIS A 54 21.834 14.377 -2.003 1.00 0.00 N ATOM 804 CD2 HIS A 54 22.347 12.314 -2.573 1.00 0.00 C ATOM 805 CE1 HIS A 54 22.036 13.681 -0.894 1.00 0.00 C ATOM 806 NE2 HIS A 54 22.354 12.403 -1.249 1.00 0.00 N ATOM 0 H HIS A 54 20.087 15.695 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 54 20.716 13.404 -6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.663 13.543 -5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.027 15.077 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.560 11.424 -3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.962 14.059 0.115 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.563 11.641 -0.603 1.00 0.00 H new ATOM 814 N ASN A 55 19.236 12.714 -3.334 1.00 0.00 N ATOM 815 CA ASN A 55 18.554 11.663 -2.599 1.00 0.00 C ATOM 816 C ASN A 55 17.232 12.206 -2.050 1.00 0.00 C ATOM 817 O ASN A 55 17.175 12.680 -0.917 1.00 0.00 O ATOM 818 CB ASN A 55 19.396 11.184 -1.414 1.00 0.00 C ATOM 819 CG ASN A 55 18.969 9.783 -0.970 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.478 8.775 -1.431 1.00 0.00 O ATOM 821 ND2 ASN A 55 18.008 9.777 -0.050 1.00 0.00 N ATOM 0 H ASN A 55 19.201 13.634 -2.895 1.00 0.00 H new ATOM 0 HA ASN A 55 18.384 10.830 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.450 11.176 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.290 11.881 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 55 17.654 8.892 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 55 17.625 10.658 0.293 1.00 0.00 H new ATOM 828 N ARG A 56 16.203 12.118 -2.880 1.00 0.00 N ATOM 829 CA ARG A 56 14.886 12.594 -2.492 1.00 0.00 C ATOM 830 C ARG A 56 13.887 11.435 -2.474 1.00 0.00 C ATOM 831 O ARG A 56 14.204 10.331 -2.914 1.00 0.00 O ATOM 832 CB ARG A 56 14.386 13.674 -3.453 1.00 0.00 C ATOM 833 CG ARG A 56 14.032 13.075 -4.816 1.00 0.00 C ATOM 834 CD ARG A 56 13.338 14.108 -5.706 1.00 0.00 C ATOM 835 NE ARG A 56 14.257 14.551 -6.778 1.00 0.00 N ATOM 836 CZ ARG A 56 14.555 13.820 -7.861 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.008 12.608 -8.023 1.00 0.00 N ATOM 838 NH2 ARG A 56 15.399 14.302 -8.783 1.00 0.00 N ATOM 0 H ARG A 56 16.255 11.724 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 56 14.969 13.022 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.510 14.165 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.152 14.439 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.938 12.717 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.381 12.211 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.437 13.677 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.024 14.964 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 56 14.691 15.470 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.364 12.241 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.235 12.052 -8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.815 15.225 -8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.626 13.746 -9.607 1.00 0.00 H new ATOM 852 N SER A 57 12.701 11.727 -1.961 1.00 0.00 N ATOM 853 CA SER A 57 11.653 10.723 -1.880 1.00 0.00 C ATOM 854 C SER A 57 10.281 11.399 -1.875 1.00 0.00 C ATOM 855 O SER A 57 10.038 12.314 -1.089 1.00 0.00 O ATOM 856 CB SER A 57 11.821 9.852 -0.633 1.00 0.00 C ATOM 857 OG SER A 57 12.412 10.571 0.446 1.00 0.00 O ATOM 0 H SER A 57 12.442 12.644 -1.597 1.00 0.00 H new ATOM 0 HA SER A 57 11.729 10.077 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.848 9.470 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.440 8.988 -0.875 1.00 0.00 H new ATOM 0 HG SER A 57 12.500 9.980 1.223 1.00 0.00 H new ATOM 863 N PHE A 58 9.418 10.922 -2.760 1.00 0.00 N ATOM 864 CA PHE A 58 8.076 11.468 -2.867 1.00 0.00 C ATOM 865 C PHE A 58 7.138 10.821 -1.847 1.00 0.00 C ATOM 866 O PHE A 58 6.711 9.682 -2.025 1.00 0.00 O ATOM 867 CB PHE A 58 7.575 11.149 -4.277 1.00 0.00 C ATOM 868 CG PHE A 58 7.841 12.256 -5.298 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.056 13.366 -5.318 1.00 0.00 C ATOM 870 CD2 PHE A 58 8.864 12.132 -6.186 1.00 0.00 C ATOM 871 CE1 PHE A 58 7.303 14.394 -6.266 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.112 13.160 -7.133 1.00 0.00 C ATOM 873 CZ PHE A 58 8.326 14.270 -7.153 1.00 0.00 C ATOM 0 H PHE A 58 9.622 10.163 -3.410 1.00 0.00 H new ATOM 0 HA PHE A 58 8.094 12.541 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.050 10.230 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.503 10.957 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.244 13.466 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.488 11.251 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.678 15.275 -6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.925 13.061 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.514 15.052 -7.873 1.00 0.00 H new ATOM 883 N ILE A 59 6.844 11.578 -0.799 1.00 0.00 N ATOM 884 CA ILE A 59 5.964 11.093 0.251 1.00 0.00 C ATOM 885 C ILE A 59 4.539 10.980 -0.296 1.00 0.00 C ATOM 886 O ILE A 59 3.864 11.989 -0.491 1.00 0.00 O ATOM 887 CB ILE A 59 6.077 11.975 1.495 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.311 11.604 2.320 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.794 11.919 2.326 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.554 12.625 3.433 1.00 0.00 C ATOM 0 H ILE A 59 7.200 12.523 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 59 6.264 10.095 0.569 1.00 0.00 H new ATOM 0 HB ILE A 59 6.205 13.008 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.178 10.613 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.185 11.554 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.902 12.555 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.955 12.270 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.610 10.892 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.437 12.338 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.710 13.611 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.688 12.655 4.094 1.00 0.00 H new ATOM 902 N ALA A 60 4.124 9.743 -0.527 1.00 0.00 N ATOM 903 CA ALA A 60 2.792 9.485 -1.047 1.00 0.00 C ATOM 904 C ALA A 60 1.817 9.322 0.119 1.00 0.00 C ATOM 905 O ALA A 60 1.880 8.336 0.853 1.00 0.00 O ATOM 906 CB ALA A 60 2.828 8.254 -1.955 1.00 0.00 C ATOM 0 H ALA A 60 4.687 8.908 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 60 2.446 10.324 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.829 8.060 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.513 8.433 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.168 7.390 -1.384 1.00 0.00 H new ATOM 912 N GLU A 61 0.936 10.303 0.255 1.00 0.00 N ATOM 913 CA GLU A 61 -0.051 10.280 1.321 1.00 0.00 C ATOM 914 C GLU A 61 -1.463 10.211 0.734 1.00 0.00 C ATOM 915 O GLU A 61 -1.760 10.876 -0.257 1.00 0.00 O ATOM 916 CB GLU A 61 0.103 11.494 2.238 1.00 0.00 C ATOM 917 CG GLU A 61 -0.253 12.787 1.501 1.00 0.00 C ATOM 918 CD GLU A 61 0.307 14.008 2.233 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.508 13.962 2.578 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.478 14.960 2.432 1.00 0.00 O ATOM 0 H GLU A 61 0.885 11.119 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 61 0.115 9.388 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.541 11.379 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.128 11.550 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.145 12.753 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.336 12.875 1.416 1.00 0.00 H new ATOM 927 N MET A 62 -2.295 9.402 1.372 1.00 0.00 N ATOM 928 CA MET A 62 -3.669 9.238 0.926 1.00 0.00 C ATOM 929 C MET A 62 -4.605 8.995 2.112 1.00 0.00 C ATOM 930 O MET A 62 -4.245 8.296 3.058 1.00 0.00 O ATOM 931 CB MET A 62 -3.754 8.056 -0.042 1.00 0.00 C ATOM 932 CG MET A 62 -5.202 7.597 -0.222 1.00 0.00 C ATOM 933 SD MET A 62 -5.281 6.279 -1.422 1.00 0.00 S ATOM 934 CE MET A 62 -5.525 7.230 -2.912 1.00 0.00 C ATOM 0 H MET A 62 -2.045 8.853 2.194 1.00 0.00 H new ATOM 0 HA MET A 62 -3.980 10.154 0.423 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.337 8.342 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.151 7.230 0.334 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.605 7.256 0.732 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.819 8.434 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.790 6.561 -3.731 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.329 7.950 -2.757 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.606 7.760 -3.160 1.00 0.00 H new ATOM 944 N THR A 63 -5.787 9.585 2.022 1.00 0.00 N ATOM 945 CA THR A 63 -6.778 9.442 3.075 1.00 0.00 C ATOM 946 C THR A 63 -8.121 9.005 2.488 1.00 0.00 C ATOM 947 O THR A 63 -8.504 9.448 1.406 1.00 0.00 O ATOM 948 CB THR A 63 -6.850 10.765 3.839 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.515 10.980 4.289 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.665 10.652 5.130 1.00 0.00 C ATOM 0 H THR A 63 -6.081 10.164 1.235 1.00 0.00 H new ATOM 0 HA THR A 63 -6.497 8.659 3.779 1.00 0.00 H new ATOM 0 HB THR A 63 -7.288 11.530 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.466 10.823 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.685 11.618 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.684 10.346 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.208 9.911 5.785 1.00 0.00 H new ATOM 958 N ILE A 64 -8.801 8.140 3.227 1.00 0.00 N ATOM 959 CA ILE A 64 -10.094 7.638 2.793 1.00 0.00 C ATOM 960 C ILE A 64 -11.027 7.535 4.001 1.00 0.00 C ATOM 961 O ILE A 64 -10.573 7.340 5.127 1.00 0.00 O ATOM 962 CB ILE A 64 -9.929 6.323 2.030 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.858 5.443 2.678 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.640 6.580 0.549 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.915 4.016 2.129 1.00 0.00 C ATOM 0 H ILE A 64 -8.481 7.774 4.124 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.556 8.332 2.091 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.871 5.777 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.872 5.869 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.000 5.427 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.527 5.628 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.466 7.138 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.720 7.157 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.144 3.412 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.894 3.585 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.748 4.034 1.052 1.00 0.00 H new ATOM 977 N TYR A 65 -12.316 7.671 3.725 1.00 0.00 N ATOM 978 CA TYR A 65 -13.318 7.596 4.775 1.00 0.00 C ATOM 979 C TYR A 65 -14.255 6.408 4.554 1.00 0.00 C ATOM 980 O TYR A 65 -14.682 6.149 3.430 1.00 0.00 O ATOM 981 CB TYR A 65 -14.126 8.892 4.680 1.00 0.00 C ATOM 982 CG TYR A 65 -15.372 8.915 5.567 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.512 8.244 5.173 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.357 9.605 6.762 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.685 8.265 6.007 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.530 9.626 7.597 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.636 8.955 7.178 1.00 0.00 C ATOM 988 OH TYR A 65 -18.744 8.975 7.967 1.00 0.00 O ATOM 0 H TYR A 65 -12.689 7.833 2.790 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.845 7.469 5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.483 9.729 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.427 9.045 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.524 7.703 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.465 10.130 7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.583 7.745 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.531 10.162 8.534 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.563 9.505 8.771 1.00 0.00 H new ATOM 998 N ILE A 66 -14.549 5.716 5.646 1.00 0.00 N ATOM 999 CA ILE A 66 -15.428 4.561 5.585 1.00 0.00 C ATOM 1000 C ILE A 66 -16.733 4.879 6.318 1.00 0.00 C ATOM 1001 O ILE A 66 -16.728 5.127 7.523 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.714 3.316 6.115 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.304 3.202 5.530 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.544 2.056 5.858 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.350 3.106 4.004 1.00 0.00 C ATOM 0 H ILE A 66 -14.194 5.933 6.577 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.689 4.336 4.551 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.608 3.417 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.713 4.068 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.807 2.322 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.014 1.186 6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.507 2.146 6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.703 1.937 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.335 3.026 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.922 2.225 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.826 3.998 3.597 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.819 4.863 5.560 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.129 5.147 6.122 1.00 0.00 C ATOM 1019 C LYS A 67 -19.612 3.933 6.918 1.00 0.00 C ATOM 1020 O LYS A 67 -20.222 4.082 7.975 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.099 5.589 5.025 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.114 4.585 3.870 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.710 5.255 2.555 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.650 4.846 1.420 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.110 5.289 0.115 1.00 0.00 N ATOM 0 H LYS A 67 -17.819 4.658 4.561 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.071 5.983 6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.102 5.687 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.810 6.572 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.431 3.764 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.110 4.154 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.728 6.338 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.686 4.979 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.779 3.764 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.635 5.284 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.760 5.003 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.010 6.324 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.180 4.851 -0.043 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.320 2.758 6.379 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.717 1.519 7.025 1.00 0.00 C ATOM 1041 C GLN A 68 -19.052 1.399 8.398 1.00 0.00 C ATOM 1042 O GLN A 68 -19.462 0.582 9.221 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.384 0.311 6.147 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.880 0.229 5.876 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.514 -1.103 5.217 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.702 -2.172 5.773 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -16.981 -0.978 4.005 1.00 0.00 N ATOM 0 H GLN A 68 -18.813 2.638 5.502 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.798 1.536 7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.719 -0.603 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.924 0.383 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.578 1.054 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.332 0.339 6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.851 -0.052 3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.702 -1.808 3.483 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.037 2.226 8.602 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.311 2.223 9.861 1.00 0.00 C ATOM 1058 C LEU A 69 -17.683 3.473 10.662 1.00 0.00 C ATOM 1059 O LEU A 69 -17.813 3.415 11.884 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.809 2.077 9.612 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.359 0.757 8.982 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.876 0.496 9.255 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.241 -0.403 9.448 1.00 0.00 C ATOM 0 H LEU A 69 -17.700 2.902 7.917 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.596 1.361 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.487 2.894 8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.290 2.199 10.563 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.478 0.837 7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.582 -0.448 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.280 1.305 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.708 0.445 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.899 -1.329 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.179 -0.495 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.275 -0.213 9.159 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.844 4.573 9.941 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.198 5.834 10.569 1.00 0.00 C ATOM 1077 C GLY A 70 -16.953 6.682 10.837 1.00 0.00 C ATOM 1078 O GLY A 70 -17.030 7.708 11.510 1.00 0.00 O ATOM 0 H GLY A 70 -17.736 4.617 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.885 6.384 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.721 5.643 11.506 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.835 6.222 10.295 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.575 6.925 10.467 1.00 0.00 C ATOM 1084 C ARG A 71 -13.791 6.938 9.153 1.00 0.00 C ATOM 1085 O ARG A 71 -14.308 6.532 8.114 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.723 6.270 11.555 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.151 4.935 11.075 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.544 4.148 12.238 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.077 4.043 12.067 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.208 4.993 12.437 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.653 6.125 13.000 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.895 4.812 12.243 1.00 0.00 N ATOM 0 H ARG A 71 -15.775 5.371 9.736 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.804 7.947 10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.909 6.938 11.836 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.327 6.111 12.448 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.938 4.346 10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.390 5.114 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.774 4.642 13.182 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.985 3.152 12.284 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.705 3.194 11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.653 6.263 13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.992 6.849 13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.557 3.951 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.233 5.535 12.525 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.556 7.410 9.243 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.696 7.481 8.074 1.00 0.00 C ATOM 1108 C ARG A 72 -10.253 7.145 8.456 1.00 0.00 C ATOM 1109 O ARG A 72 -9.833 7.391 9.586 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.738 8.874 7.444 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.587 9.963 8.508 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.387 10.863 8.204 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.540 11.002 9.410 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.666 11.999 9.602 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.517 12.950 8.670 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.939 12.044 10.727 1.00 0.00 N ATOM 0 H ARG A 72 -12.131 7.747 10.107 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.062 6.755 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.940 8.968 6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.680 9.008 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.495 10.564 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.463 9.504 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.803 10.441 7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.731 11.844 7.876 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.627 10.295 10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.069 12.915 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.851 13.709 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.051 11.320 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.273 12.803 10.874 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.534 6.589 7.493 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.147 6.217 7.714 1.00 0.00 C ATOM 1132 C ILE A 73 -7.244 7.080 6.830 1.00 0.00 C ATOM 1133 O ILE A 73 -7.637 7.472 5.732 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.955 4.713 7.506 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.183 4.329 6.043 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.847 3.910 8.455 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.716 2.897 5.772 1.00 0.00 C ATOM 0 H ILE A 73 -9.886 6.387 6.557 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.862 6.411 8.748 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.922 4.464 7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.241 4.422 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.645 5.020 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.691 2.844 8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.594 4.155 9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.892 4.158 8.269 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.890 2.650 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.652 2.813 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.273 2.207 6.405 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.052 7.350 7.341 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.091 8.159 6.612 1.00 0.00 C ATOM 1151 C PHE A 74 -3.741 7.447 6.507 1.00 0.00 C ATOM 1152 O PHE A 74 -3.386 6.651 7.376 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.909 9.458 7.401 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.618 10.210 7.072 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.416 9.692 7.440 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.673 11.397 6.410 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.218 10.391 7.134 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.475 12.096 6.104 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.273 11.578 6.473 1.00 0.00 C ATOM 0 H PHE A 74 -5.730 7.023 8.252 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.453 8.344 5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.758 10.112 7.205 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.922 9.229 8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.372 8.749 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.628 11.808 6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.263 9.980 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.519 13.039 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.362 12.110 6.241 1.00 0.00 H new ATOM 1169 N ALA A 75 -3.026 7.757 5.436 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.723 7.156 5.206 1.00 0.00 C ATOM 1171 C ALA A 75 -0.751 8.229 4.713 1.00 0.00 C ATOM 1172 O ALA A 75 -1.172 9.256 4.181 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.863 5.997 4.218 1.00 0.00 C ATOM 0 H ALA A 75 -3.324 8.417 4.717 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.320 6.747 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.886 5.546 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.541 5.249 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.263 6.369 3.275 1.00 0.00 H new ATOM 1179 N ARG A 76 0.531 7.956 4.906 1.00 0.00 N ATOM 1180 CA ARG A 76 1.566 8.885 4.487 1.00 0.00 C ATOM 1181 C ARG A 76 2.944 8.230 4.599 1.00 0.00 C ATOM 1182 O ARG A 76 3.606 8.338 5.630 1.00 0.00 O ATOM 1183 CB ARG A 76 1.543 10.156 5.339 1.00 0.00 C ATOM 1184 CG ARG A 76 2.509 11.205 4.785 1.00 0.00 C ATOM 1185 CD ARG A 76 3.511 11.646 5.854 1.00 0.00 C ATOM 1186 NE ARG A 76 3.247 13.048 6.247 1.00 0.00 N ATOM 1187 CZ ARG A 76 3.632 13.587 7.412 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.302 12.845 8.304 1.00 0.00 N ATOM 1189 NH2 ARG A 76 3.349 14.868 7.684 1.00 0.00 N ATOM 0 H ARG A 76 0.876 7.104 5.347 1.00 0.00 H new ATOM 0 HA ARG A 76 1.370 9.153 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.532 10.564 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.814 9.914 6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.043 10.796 3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.948 12.069 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.436 10.995 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.528 11.552 5.472 1.00 0.00 H new ATOM 0 HE ARG A 76 2.740 13.641 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.519 11.870 8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.595 13.255 9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.840 15.433 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.642 15.278 8.571 1.00 0.00 H new ATOM 1203 N GLU A 77 3.337 7.564 3.522 1.00 0.00 N ATOM 1204 CA GLU A 77 4.624 6.892 3.486 1.00 0.00 C ATOM 1205 C GLU A 77 5.652 7.753 2.750 1.00 0.00 C ATOM 1206 O GLU A 77 5.341 8.860 2.312 1.00 0.00 O ATOM 1207 CB GLU A 77 4.503 5.510 2.840 1.00 0.00 C ATOM 1208 CG GLU A 77 3.750 4.542 3.754 1.00 0.00 C ATOM 1209 CD GLU A 77 4.723 3.698 4.580 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.785 3.347 4.021 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.382 3.422 5.750 1.00 0.00 O ATOM 0 H GLU A 77 2.786 7.476 2.668 1.00 0.00 H new ATOM 0 HA GLU A 77 4.966 6.749 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.982 5.595 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.497 5.116 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.093 5.102 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.115 3.889 3.154 1.00 0.00 H new ATOM 1218 N HIS A 78 6.857 7.213 2.637 1.00 0.00 N ATOM 1219 CA HIS A 78 7.933 7.918 1.961 1.00 0.00 C ATOM 1220 C HIS A 78 8.677 6.954 1.036 1.00 0.00 C ATOM 1221 O HIS A 78 9.874 6.724 1.205 1.00 0.00 O ATOM 1222 CB HIS A 78 8.856 8.599 2.974 1.00 0.00 C ATOM 1223 CG HIS A 78 8.250 8.757 4.348 1.00 0.00 C ATOM 1224 ND1 HIS A 78 8.082 9.865 5.126 1.00 0.00 N flip ATOM 1225 CD2 HIS A 78 7.736 7.692 5.068 1.00 0.00 C flip ATOM 1226 CE1 HIS A 78 7.496 9.497 6.259 1.00 0.00 C flip ATOM 1227 NE2 HIS A 78 7.282 8.150 6.225 1.00 0.00 N flip ATOM 0 H HIS A 78 7.112 6.295 3.002 1.00 0.00 H new ATOM 0 HA HIS A 78 7.519 8.713 1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.776 8.020 3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.132 9.583 2.595 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.710 6.663 4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.232 10.155 7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.848 7.593 6.961 1.00 0.00 H new ATOM 1235 N GLY A 79 7.938 6.415 0.077 1.00 0.00 N ATOM 1236 CA GLY A 79 8.513 5.481 -0.875 1.00 0.00 C ATOM 1237 C GLY A 79 9.608 6.151 -1.708 1.00 0.00 C ATOM 1238 O GLY A 79 10.112 7.210 -1.339 1.00 0.00 O ATOM 0 H GLY A 79 6.946 6.608 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.928 4.624 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.732 5.100 -1.533 1.00 0.00 H new ATOM 1242 N SER A 80 9.943 5.505 -2.815 1.00 0.00 N ATOM 1243 CA SER A 80 10.969 6.025 -3.703 1.00 0.00 C ATOM 1244 C SER A 80 10.323 6.807 -4.848 1.00 0.00 C ATOM 1245 O SER A 80 10.468 8.025 -4.932 1.00 0.00 O ATOM 1246 CB SER A 80 11.842 4.897 -4.256 1.00 0.00 C ATOM 1247 OG SER A 80 13.143 5.355 -4.614 1.00 0.00 O ATOM 0 H SER A 80 9.522 4.626 -3.117 1.00 0.00 H new ATOM 0 HA SER A 80 11.609 6.696 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.928 4.107 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.359 4.460 -5.130 1.00 0.00 H new ATOM 0 HG SER A 80 13.670 4.605 -4.961 1.00 0.00 H new ATOM 1253 N ASN A 81 9.624 6.074 -5.702 1.00 0.00 N ATOM 1254 CA ASN A 81 8.955 6.683 -6.839 1.00 0.00 C ATOM 1255 C ASN A 81 7.446 6.709 -6.584 1.00 0.00 C ATOM 1256 O ASN A 81 6.948 5.993 -5.717 1.00 0.00 O ATOM 1257 CB ASN A 81 9.204 5.883 -8.119 1.00 0.00 C ATOM 1258 CG ASN A 81 10.702 5.762 -8.406 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.279 6.527 -9.161 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.297 4.760 -7.765 1.00 0.00 N ATOM 0 H ASN A 81 9.506 5.063 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 81 9.350 7.691 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.767 4.889 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.707 6.369 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.296 4.595 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.755 4.156 -7.147 1.00 0.00 H new ATOM 1267 N LYS A 82 6.762 7.541 -7.355 1.00 0.00 N ATOM 1268 CA LYS A 82 5.321 7.669 -7.224 1.00 0.00 C ATOM 1269 C LYS A 82 4.706 6.283 -7.019 1.00 0.00 C ATOM 1270 O LYS A 82 3.869 6.095 -6.137 1.00 0.00 O ATOM 1271 CB LYS A 82 4.740 8.429 -8.418 1.00 0.00 C ATOM 1272 CG LYS A 82 4.839 9.941 -8.206 1.00 0.00 C ATOM 1273 CD LYS A 82 4.077 10.699 -9.295 1.00 0.00 C ATOM 1274 CE LYS A 82 3.999 12.192 -8.972 1.00 0.00 C ATOM 1275 NZ LYS A 82 2.677 12.737 -9.354 1.00 0.00 N ATOM 0 H LYS A 82 7.179 8.133 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 82 5.070 8.262 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.274 8.150 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.697 8.146 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.436 10.202 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.886 10.245 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.571 10.557 -10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.071 10.291 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.170 12.349 -7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.787 12.727 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.730 13.774 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.402 12.360 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.969 12.460 -8.644 1.00 0.00 H new ATOM 1289 N LYS A 83 5.146 5.348 -7.849 1.00 0.00 N ATOM 1290 CA LYS A 83 4.649 3.985 -7.770 1.00 0.00 C ATOM 1291 C LYS A 83 4.814 3.468 -6.339 1.00 0.00 C ATOM 1292 O LYS A 83 3.834 3.332 -5.608 1.00 0.00 O ATOM 1293 CB LYS A 83 5.328 3.106 -8.822 1.00 0.00 C ATOM 1294 CG LYS A 83 4.328 2.661 -9.893 1.00 0.00 C ATOM 1295 CD LYS A 83 4.886 2.901 -11.297 1.00 0.00 C ATOM 1296 CE LYS A 83 4.550 1.734 -12.227 1.00 0.00 C ATOM 1297 NZ LYS A 83 4.971 2.037 -13.613 1.00 0.00 N ATOM 0 H LYS A 83 5.841 5.508 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 83 3.584 3.954 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.145 3.656 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.766 2.231 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.099 1.603 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.392 3.207 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.474 3.825 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.967 3.030 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.048 0.829 -11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.478 1.538 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.735 1.234 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.476 2.888 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.998 2.202 -13.636 1.00 0.00 H new ATOM 1311 N LEU A 84 6.060 3.196 -5.982 1.00 0.00 N ATOM 1312 CA LEU A 84 6.366 2.698 -4.651 1.00 0.00 C ATOM 1313 C LEU A 84 5.529 3.460 -3.622 1.00 0.00 C ATOM 1314 O LEU A 84 4.574 2.917 -3.068 1.00 0.00 O ATOM 1315 CB LEU A 84 7.872 2.761 -4.388 1.00 0.00 C ATOM 1316 CG LEU A 84 8.717 1.681 -5.067 1.00 0.00 C ATOM 1317 CD1 LEU A 84 8.270 0.283 -4.636 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.697 1.846 -6.588 1.00 0.00 C ATOM 0 H LEU A 84 6.870 3.311 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 84 6.096 1.645 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.237 3.736 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.036 2.700 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 84 9.751 1.802 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.887 -0.466 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.378 0.183 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.226 0.134 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.305 1.066 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.672 1.766 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.100 2.823 -6.853 1.00 0.00 H new ATOM 1330 N ALA A 85 5.918 4.706 -3.396 1.00 0.00 N ATOM 1331 CA ALA A 85 5.216 5.548 -2.443 1.00 0.00 C ATOM 1332 C ALA A 85 3.728 5.190 -2.452 1.00 0.00 C ATOM 1333 O ALA A 85 3.167 4.827 -1.419 1.00 0.00 O ATOM 1334 CB ALA A 85 5.463 7.020 -2.781 1.00 0.00 C ATOM 0 H ALA A 85 6.711 5.153 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 85 5.591 5.378 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.936 7.651 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.531 7.230 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.098 7.229 -3.787 1.00 0.00 H new ATOM 1340 N ALA A 86 3.131 5.306 -3.629 1.00 0.00 N ATOM 1341 CA ALA A 86 1.720 5.000 -3.786 1.00 0.00 C ATOM 1342 C ALA A 86 1.436 3.612 -3.207 1.00 0.00 C ATOM 1343 O ALA A 86 0.682 3.479 -2.245 1.00 0.00 O ATOM 1344 CB ALA A 86 1.336 5.104 -5.264 1.00 0.00 C ATOM 0 H ALA A 86 3.599 5.608 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 86 1.109 5.718 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.277 4.874 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.530 6.116 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.928 4.396 -5.844 1.00 0.00 H new ATOM 1350 N GLN A 87 2.057 2.613 -3.818 1.00 0.00 N ATOM 1351 CA GLN A 87 1.880 1.240 -3.375 1.00 0.00 C ATOM 1352 C GLN A 87 1.814 1.180 -1.848 1.00 0.00 C ATOM 1353 O GLN A 87 0.778 0.836 -1.281 1.00 0.00 O ATOM 1354 CB GLN A 87 2.998 0.343 -3.911 1.00 0.00 C ATOM 1355 CG GLN A 87 2.640 -0.212 -5.292 1.00 0.00 C ATOM 1356 CD GLN A 87 3.866 -0.233 -6.208 1.00 0.00 C ATOM 1357 OE1 GLN A 87 4.974 -0.672 -5.619 1.00 0.00 O flip ATOM 1358 NE2 GLN A 87 3.808 0.125 -7.373 1.00 0.00 N flip ATOM 0 H GLN A 87 2.683 2.727 -4.615 1.00 0.00 H new ATOM 0 HA GLN A 87 0.937 0.868 -3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.927 0.910 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.173 -0.480 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.240 -1.221 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.856 0.398 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.924 0.452 -7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.644 0.098 -7.957 1.00 0.00 H new ATOM 1367 N SER A 88 2.933 1.519 -1.225 1.00 0.00 N ATOM 1368 CA SER A 88 3.015 1.508 0.226 1.00 0.00 C ATOM 1369 C SER A 88 1.772 2.168 0.826 1.00 0.00 C ATOM 1370 O SER A 88 1.057 1.552 1.614 1.00 0.00 O ATOM 1371 CB SER A 88 4.280 2.218 0.712 1.00 0.00 C ATOM 1372 OG SER A 88 5.464 1.524 0.328 1.00 0.00 O ATOM 0 H SER A 88 3.791 1.803 -1.698 1.00 0.00 H new ATOM 0 HA SER A 88 3.063 0.471 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.306 3.230 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.250 2.310 1.798 1.00 0.00 H new ATOM 0 HG SER A 88 6.249 2.010 0.656 1.00 0.00 H new ATOM 1378 N CYS A 89 1.553 3.413 0.429 1.00 0.00 N ATOM 1379 CA CYS A 89 0.408 4.163 0.917 1.00 0.00 C ATOM 1380 C CYS A 89 -0.814 3.244 0.895 1.00 0.00 C ATOM 1381 O CYS A 89 -1.473 3.056 1.916 1.00 0.00 O ATOM 1382 CB CYS A 89 0.179 5.439 0.104 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.483 6.759 1.183 1.00 0.00 S ATOM 0 H CYS A 89 2.149 3.921 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 89 0.595 4.492 1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.116 5.764 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.517 5.241 -0.711 1.00 0.00 H new ATOM 0 HG CYS A 89 0.434 7.659 1.380 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.081 2.696 -0.282 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.212 1.800 -0.451 1.00 0.00 C ATOM 1391 C ALA A 90 -2.176 0.727 0.638 1.00 0.00 C ATOM 1392 O ALA A 90 -3.038 0.697 1.515 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.185 1.203 -1.859 1.00 0.00 C ATOM 0 H ALA A 90 -0.533 2.856 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.151 2.344 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.034 0.531 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.244 2.005 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.258 0.648 -2.001 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.168 -0.128 0.548 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.007 -1.201 1.516 1.00 0.00 C ATOM 1401 C LEU A 91 -1.351 -0.678 2.912 1.00 0.00 C ATOM 1402 O LEU A 91 -1.868 -1.418 3.746 1.00 0.00 O ATOM 1403 CB LEU A 91 0.393 -1.809 1.414 1.00 0.00 C ATOM 1404 CG LEU A 91 0.713 -2.926 2.410 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.053 -4.204 2.065 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.221 -3.167 2.497 1.00 0.00 C ATOM 0 H LEU A 91 -0.454 -0.100 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.699 -2.015 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.525 -2.200 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.124 -1.012 1.545 1.00 0.00 H new ATOM 0 HG LEU A 91 0.380 -2.608 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.192 -4.982 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.124 -4.005 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.226 -4.537 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.421 -3.965 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.601 -3.454 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.717 -2.254 2.825 1.00 0.00 H new ATOM 1418 N SER A 92 -1.048 0.595 3.123 1.00 0.00 N ATOM 1419 CA SER A 92 -1.318 1.226 4.404 1.00 0.00 C ATOM 1420 C SER A 92 -2.823 1.223 4.682 1.00 0.00 C ATOM 1421 O SER A 92 -3.264 0.747 5.727 1.00 0.00 O ATOM 1422 CB SER A 92 -0.774 2.656 4.439 1.00 0.00 C ATOM 1423 OG SER A 92 -0.321 3.022 5.739 1.00 0.00 O ATOM 0 H SER A 92 -0.618 1.206 2.429 1.00 0.00 H new ATOM 0 HA SER A 92 -0.811 0.654 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.048 2.749 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.552 3.348 4.118 1.00 0.00 H new ATOM 0 HG SER A 92 0.020 3.940 5.720 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.569 1.760 3.728 1.00 0.00 N ATOM 1430 CA LEU A 93 -5.015 1.826 3.857 1.00 0.00 C ATOM 1431 C LEU A 93 -5.594 0.411 3.785 1.00 0.00 C ATOM 1432 O LEU A 93 -6.491 0.065 4.552 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.603 2.784 2.819 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.097 4.227 2.876 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.957 4.702 4.324 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.792 4.382 2.093 1.00 0.00 C ATOM 0 H LEU A 93 -3.199 2.153 2.863 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.292 2.236 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.394 2.385 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.687 2.795 2.936 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.837 4.868 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.596 5.730 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.927 4.652 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.248 4.062 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.454 5.417 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.032 3.728 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.959 4.112 1.050 1.00 0.00 H new ATOM 1448 N VAL A 94 -5.056 -0.367 2.858 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.508 -1.736 2.676 1.00 0.00 C ATOM 1450 C VAL A 94 -5.409 -2.482 4.008 1.00 0.00 C ATOM 1451 O VAL A 94 -6.366 -3.127 4.435 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.711 -2.406 1.555 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.218 -3.826 1.295 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.751 -1.567 0.277 1.00 0.00 C ATOM 0 H VAL A 94 -4.311 -0.076 2.225 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.554 -1.755 2.369 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.672 -2.475 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.635 -4.280 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.113 -4.421 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.268 -3.790 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.177 -2.066 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.784 -1.451 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.320 -0.585 0.473 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.244 -2.370 4.628 1.00 0.00 N ATOM 1465 CA ARG A 95 -4.008 -3.026 5.903 1.00 0.00 C ATOM 1466 C ARG A 95 -5.082 -2.622 6.915 1.00 0.00 C ATOM 1467 O ARG A 95 -5.725 -3.479 7.518 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.630 -2.665 6.461 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.631 -3.801 6.233 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.318 -3.269 5.654 1.00 0.00 C ATOM 1471 NE ARG A 95 0.705 -3.179 6.719 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.802 -2.414 6.643 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.025 -1.668 5.553 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.677 -2.394 7.658 1.00 0.00 N ATOM 0 H ARG A 95 -3.453 -1.835 4.271 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.049 -4.102 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.267 -1.755 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.709 -2.454 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.436 -4.313 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.061 -4.537 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.031 -3.927 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.479 -2.287 5.209 1.00 0.00 H new ATOM 0 HE ARG A 95 0.566 -3.734 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.359 -1.682 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.860 -1.086 5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.508 -2.961 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.512 -1.811 7.600 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.243 -1.315 7.069 1.00 0.00 N ATOM 1489 CA GLN A 96 -6.228 -0.787 7.997 1.00 0.00 C ATOM 1490 C GLN A 96 -7.620 -1.322 7.655 1.00 0.00 C ATOM 1491 O GLN A 96 -8.352 -1.769 8.537 1.00 0.00 O ATOM 1492 CB GLN A 96 -6.215 0.743 8.000 1.00 0.00 C ATOM 1493 CG GLN A 96 -5.312 1.281 9.112 1.00 0.00 C ATOM 1494 CD GLN A 96 -5.060 2.779 8.936 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -5.284 3.582 9.827 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.581 3.110 7.740 1.00 0.00 N ATOM 0 H GLN A 96 -4.708 -0.607 6.567 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.967 -1.122 9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.866 1.109 7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.229 1.119 8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.775 1.098 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.363 0.746 9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.416 2.388 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.378 4.086 7.524 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.944 -1.260 6.372 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.236 -1.732 5.902 1.00 0.00 C ATOM 1507 C LEU A 97 -9.441 -3.179 6.357 1.00 0.00 C ATOM 1508 O LEU A 97 -10.444 -3.496 6.995 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.358 -1.541 4.389 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.421 -0.093 3.899 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -9.040 0.003 2.421 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.794 0.522 4.178 1.00 0.00 C ATOM 0 H LEU A 97 -7.334 -0.890 5.643 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.040 -1.141 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.508 -2.029 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.255 -2.058 4.049 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.688 0.488 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.093 1.043 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.025 -0.369 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.730 -0.597 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.811 1.551 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.562 -0.054 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.988 0.508 5.251 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.475 -4.017 6.011 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.537 -5.422 6.377 1.00 0.00 C ATOM 1526 C TYR A 98 -8.734 -5.588 7.885 1.00 0.00 C ATOM 1527 O TYR A 98 -9.728 -6.163 8.325 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.186 -6.021 5.981 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.796 -7.263 6.786 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.217 -8.511 6.375 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.024 -7.134 7.922 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.851 -9.680 7.132 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.657 -8.303 8.679 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.088 -9.518 8.246 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.742 -10.622 8.961 1.00 0.00 O ATOM 0 H TYR A 98 -7.645 -3.750 5.481 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.373 -5.912 5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.211 -6.280 4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.413 -5.262 6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.821 -8.611 5.485 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.695 -6.157 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.175 -10.663 6.822 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.053 -8.217 9.570 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.196 -10.356 9.730 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.769 -5.075 8.635 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.824 -5.160 10.084 1.00 0.00 C ATOM 1547 C HIS A 99 -9.230 -4.799 10.567 1.00 0.00 C ATOM 1548 O HIS A 99 -9.896 -5.609 11.210 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.737 -4.290 10.721 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.272 -3.185 11.600 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -8.181 -3.411 12.619 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -7.015 -1.846 11.603 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.453 -2.253 13.201 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.730 -1.284 12.570 1.00 0.00 N ATOM 0 H HIS A 99 -6.945 -4.599 8.266 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.621 -6.183 10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.078 -4.925 11.314 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.129 -3.850 9.931 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.344 -1.330 10.932 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.129 -2.102 14.030 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.737 -0.291 12.803 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.640 -3.583 10.239 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.955 -3.105 10.630 1.00 0.00 C ATOM 1564 C LEU A 100 -12.008 -4.144 10.239 1.00 0.00 C ATOM 1565 O LEU A 100 -12.875 -4.486 11.041 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.216 -1.715 10.047 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.633 -0.538 10.831 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.507 0.703 9.945 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.452 -0.261 12.093 1.00 0.00 C ATOM 0 H LEU A 100 -9.084 -2.914 9.706 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.010 -2.986 11.712 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.814 -1.686 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.294 -1.573 9.966 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.627 -0.807 11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.090 1.525 10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.850 0.484 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.492 0.985 9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.016 0.580 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.479 -0.022 11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.445 -1.144 12.732 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.897 -4.617 9.006 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.829 -5.609 8.499 1.00 0.00 C ATOM 1583 C GLY A 101 -13.613 -5.065 7.303 1.00 0.00 C ATOM 1584 O GLY A 101 -14.836 -5.187 7.250 1.00 0.00 O ATOM 0 H GLY A 101 -11.176 -4.331 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.285 -6.506 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.521 -5.901 9.289 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.876 -4.476 6.372 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.487 -3.913 5.180 1.00 0.00 C ATOM 1590 C VAL A 102 -13.129 -4.779 3.971 1.00 0.00 C ATOM 1591 O VAL A 102 -13.962 -4.998 3.092 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.063 -2.452 5.016 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.581 -1.876 3.696 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.531 -1.608 6.203 1.00 0.00 C ATOM 0 H VAL A 102 -11.862 -4.377 6.419 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.573 -3.914 5.270 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.974 -2.420 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.266 -0.837 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.177 -2.453 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.670 -1.928 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.216 -0.574 6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.618 -1.650 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.093 -1.998 7.122 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.890 -5.248 3.965 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.412 -6.085 2.878 1.00 0.00 C ATOM 1606 C ILE A 103 -11.154 -7.498 3.404 1.00 0.00 C ATOM 1607 O ILE A 103 -11.398 -7.782 4.576 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.195 -5.447 2.206 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.158 -5.016 3.245 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.614 -4.288 1.299 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.872 -4.535 2.569 1.00 0.00 C ATOM 0 H ILE A 103 -11.203 -5.064 4.696 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.170 -6.168 2.099 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.723 -6.197 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.568 -4.218 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.934 -5.851 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.730 -3.852 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.287 -4.657 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.124 -3.528 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.152 -4.234 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.452 -5.343 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.096 -3.685 1.925 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.663 -8.347 2.513 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.369 -9.723 2.873 1.00 0.00 C ATOM 1625 C GLU A 104 -9.062 -10.176 2.218 1.00 0.00 C ATOM 1626 O GLU A 104 -8.755 -9.776 1.096 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.524 -10.650 2.489 1.00 0.00 C ATOM 1628 CG GLU A 104 -11.851 -10.530 0.999 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.198 -9.835 0.787 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.093 -10.064 1.629 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -13.302 -9.091 -0.212 1.00 0.00 O ATOM 0 H GLU A 104 -10.461 -8.108 1.542 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.248 -9.776 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.262 -11.681 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.406 -10.402 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.065 -9.968 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.874 -11.522 0.547 1.00 0.00 H new