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 46 LYS NZ :NH3+ -133:sc= 0.0779 (180deg=0) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.108 USER MOD Set 2.1: A 24 THR OG1 : rot -101:sc= 0.858 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.341 K(o=0.52,f=-13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0217 K(o=-0.022,f=-0.99) USER MOD Single : A 34 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.5) USER MOD Single : A 35 TYR OH : rot 15:sc= -1.38 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= -0.0146 K(o=-0.015,f=-0.99) USER MOD Single : A 45 TYR OH : rot 80:sc= -1.37 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.927 USER MOD Single : A 49 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.7!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -4.83 F(o=-6.3!,f=-4.8) USER MOD Single : A 55 ASN : amide:sc= -0.0572 K(o=-0.057,f=-1.7!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.617 USER MOD Single : A 62 MET CE :methyl -162:sc= -3.14 (180deg=-4.55!) USER MOD Single : A 63 THR OG1 : rot -91:sc= 0.293 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 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.334 K(o=0.33,f=-2.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.74! C(o=-3.7!,f=-12!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -5.8! C(o=-5.8!,f=-15!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 50:sc= -5.63! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.0524 X(o=0.052,f=-0.064) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.908 -9.777 0.482 1.00 0.00 N ATOM 277 CA TRP A 23 -2.014 -8.354 0.210 1.00 0.00 C ATOM 278 C TRP A 23 -0.600 -7.800 0.026 1.00 0.00 C ATOM 279 O TRP A 23 -0.026 -7.232 0.953 1.00 0.00 O ATOM 280 CB TRP A 23 -2.795 -7.641 1.316 1.00 0.00 C ATOM 281 CG TRP A 23 -4.295 -7.945 1.314 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.051 -8.378 2.332 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.196 -7.820 0.193 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.367 -8.540 1.952 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.458 -8.190 0.610 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.952 -7.407 -1.129 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.576 -8.185 -0.234 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -6.079 -7.408 -1.959 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.356 -7.778 -1.555 1.00 0.00 C ATOM 0 HA TRP A 23 -2.579 -8.178 -0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.378 -7.926 2.282 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.653 -6.565 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.677 -8.575 3.326 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.132 -8.858 2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.973 -7.112 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.555 -8.479 0.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.947 -7.100 -2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.176 -7.752 -2.258 1.00 0.00 H new ATOM 300 N THR A 24 -0.078 -7.987 -1.178 1.00 0.00 N ATOM 301 CA THR A 24 1.258 -7.514 -1.495 1.00 0.00 C ATOM 302 C THR A 24 1.203 -6.084 -2.037 1.00 0.00 C ATOM 303 O THR A 24 0.219 -5.690 -2.661 1.00 0.00 O ATOM 304 CB THR A 24 1.893 -8.508 -2.470 1.00 0.00 C ATOM 305 OG1 THR A 24 1.229 -8.256 -3.705 1.00 0.00 O ATOM 306 CG2 THR A 24 1.532 -9.959 -2.143 1.00 0.00 C ATOM 0 H THR A 24 -0.557 -8.460 -1.945 1.00 0.00 H new ATOM 0 HA THR A 24 1.882 -7.467 -0.603 1.00 0.00 H new ATOM 0 HB THR A 24 2.976 -8.390 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.541 -8.938 -3.851 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.008 -10.624 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.881 -10.203 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.450 -10.085 -2.192 1.00 0.00 H new ATOM 314 N LEU A 25 2.273 -5.346 -1.779 1.00 0.00 N ATOM 315 CA LEU A 25 2.359 -3.968 -2.233 1.00 0.00 C ATOM 316 C LEU A 25 1.611 -3.826 -3.561 1.00 0.00 C ATOM 317 O LEU A 25 0.902 -2.844 -3.776 1.00 0.00 O ATOM 318 CB LEU A 25 3.819 -3.515 -2.298 1.00 0.00 C ATOM 319 CG LEU A 25 4.394 -2.922 -1.010 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.888 -3.229 -0.885 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.108 -1.422 -0.922 1.00 0.00 C ATOM 0 H LEU A 25 3.088 -5.676 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 25 1.874 -3.301 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.431 -4.369 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.914 -2.773 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 25 3.896 -3.395 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.272 -2.797 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.038 -4.309 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.420 -2.801 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.527 -1.025 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.562 -0.915 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.031 -1.256 -0.933 1.00 0.00 H new ATOM 333 N GLU A 26 1.797 -4.820 -4.417 1.00 0.00 N ATOM 334 CA GLU A 26 1.149 -4.818 -5.718 1.00 0.00 C ATOM 335 C GLU A 26 -0.363 -4.986 -5.558 1.00 0.00 C ATOM 336 O GLU A 26 -1.134 -4.114 -5.956 1.00 0.00 O ATOM 337 CB GLU A 26 1.730 -5.907 -6.621 1.00 0.00 C ATOM 338 CG GLU A 26 2.259 -5.312 -7.928 1.00 0.00 C ATOM 339 CD GLU A 26 2.049 -6.278 -9.095 1.00 0.00 C ATOM 340 OE1 GLU A 26 2.386 -7.468 -8.915 1.00 0.00 O ATOM 341 OE2 GLU A 26 1.556 -5.805 -10.142 1.00 0.00 O ATOM 0 H GLU A 26 2.387 -5.632 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 26 1.339 -3.857 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.536 -6.424 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.963 -6.650 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.751 -4.370 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.320 -5.086 -7.825 1.00 0.00 H new ATOM 348 N ASN A 27 -0.743 -6.114 -4.975 1.00 0.00 N ATOM 349 CA ASN A 27 -2.149 -6.408 -4.758 1.00 0.00 C ATOM 350 C ASN A 27 -2.822 -5.201 -4.101 1.00 0.00 C ATOM 351 O ASN A 27 -3.695 -4.572 -4.698 1.00 0.00 O ATOM 352 CB ASN A 27 -2.323 -7.610 -3.828 1.00 0.00 C ATOM 353 CG ASN A 27 -1.702 -8.869 -4.437 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.807 -9.483 -3.879 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.224 -9.217 -5.609 1.00 0.00 N ATOM 0 H ASN A 27 -0.101 -6.835 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.600 -6.632 -5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.857 -7.400 -2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.383 -7.778 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.877 -10.043 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.972 -8.658 -6.020 1.00 0.00 H new ATOM 362 N ALA A 28 -2.391 -4.914 -2.882 1.00 0.00 N ATOM 363 CA ALA A 28 -2.941 -3.794 -2.138 1.00 0.00 C ATOM 364 C ALA A 28 -3.231 -2.641 -3.101 1.00 0.00 C ATOM 365 O ALA A 28 -4.364 -2.169 -3.188 1.00 0.00 O ATOM 366 CB ALA A 28 -1.971 -3.394 -1.025 1.00 0.00 C ATOM 0 H ALA A 28 -1.667 -5.438 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.882 -4.073 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.384 -2.554 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.822 -4.238 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.015 -3.105 -1.462 1.00 0.00 H new ATOM 372 N LYS A 29 -2.188 -2.220 -3.801 1.00 0.00 N ATOM 373 CA LYS A 29 -2.316 -1.131 -4.754 1.00 0.00 C ATOM 374 C LYS A 29 -3.572 -1.346 -5.602 1.00 0.00 C ATOM 375 O LYS A 29 -4.569 -0.648 -5.429 1.00 0.00 O ATOM 376 CB LYS A 29 -1.036 -0.986 -5.578 1.00 0.00 C ATOM 377 CG LYS A 29 -1.222 0.029 -6.708 1.00 0.00 C ATOM 378 CD LYS A 29 0.043 0.867 -6.907 1.00 0.00 C ATOM 379 CE LYS A 29 -0.290 2.360 -6.943 1.00 0.00 C ATOM 380 NZ LYS A 29 0.579 3.060 -7.916 1.00 0.00 N ATOM 0 H LYS A 29 -1.250 -2.614 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.441 -0.182 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.217 -0.670 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.757 -1.953 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.466 -0.493 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.063 0.683 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.747 0.667 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.533 0.577 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.336 2.499 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.158 2.792 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.341 4.072 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.575 2.942 -7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.433 2.658 -8.864 1.00 0.00 H new ATOM 394 N ALA A 30 -3.481 -2.316 -6.500 1.00 0.00 N ATOM 395 CA ALA A 30 -4.598 -2.633 -7.375 1.00 0.00 C ATOM 396 C ALA A 30 -5.892 -2.644 -6.559 1.00 0.00 C ATOM 397 O ALA A 30 -6.820 -1.890 -6.849 1.00 0.00 O ATOM 398 CB ALA A 30 -4.337 -3.969 -8.073 1.00 0.00 C ATOM 0 H ALA A 30 -2.652 -2.893 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.704 -1.875 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.175 -4.207 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.423 -3.899 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.227 -4.755 -7.326 1.00 0.00 H new ATOM 404 N ARG A 31 -5.913 -3.509 -5.555 1.00 0.00 N ATOM 405 CA ARG A 31 -7.078 -3.628 -4.695 1.00 0.00 C ATOM 406 C ARG A 31 -7.713 -2.255 -4.466 1.00 0.00 C ATOM 407 O ARG A 31 -8.844 -2.013 -4.884 1.00 0.00 O ATOM 408 CB ARG A 31 -6.705 -4.242 -3.344 1.00 0.00 C ATOM 409 CG ARG A 31 -7.947 -4.447 -2.473 1.00 0.00 C ATOM 410 CD ARG A 31 -8.948 -5.380 -3.158 1.00 0.00 C ATOM 411 NE ARG A 31 -9.928 -5.883 -2.169 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.136 -6.367 -2.489 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.520 -6.417 -3.771 1.00 0.00 N ATOM 414 NH2 ARG A 31 -11.960 -6.802 -1.525 1.00 0.00 N ATOM 0 H ARG A 31 -5.142 -4.134 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.792 -4.283 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.204 -5.198 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.998 -3.592 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.655 -4.865 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.419 -3.485 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.465 -4.849 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.422 -6.216 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.668 -5.860 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.893 -6.087 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.440 -6.786 -4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.667 -6.764 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.880 -7.170 -1.768 1.00 0.00 H new ATOM 428 N LEU A 32 -6.956 -1.392 -3.804 1.00 0.00 N ATOM 429 CA LEU A 32 -7.431 -0.050 -3.514 1.00 0.00 C ATOM 430 C LEU A 32 -8.182 0.494 -4.731 1.00 0.00 C ATOM 431 O LEU A 32 -9.354 0.855 -4.631 1.00 0.00 O ATOM 432 CB LEU A 32 -6.273 0.841 -3.058 1.00 0.00 C ATOM 433 CG LEU A 32 -6.665 2.150 -2.371 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.509 1.884 -1.123 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.429 2.996 -2.057 1.00 0.00 C ATOM 0 H LEU A 32 -6.018 -1.596 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.137 -0.067 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.647 0.268 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.660 1.079 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.283 2.725 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.774 2.832 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.418 1.352 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.938 1.278 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.736 3.921 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.766 2.439 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.904 3.231 -2.983 1.00 0.00 H new ATOM 447 N ASN A 33 -7.477 0.536 -5.852 1.00 0.00 N ATOM 448 CA ASN A 33 -8.064 1.030 -7.087 1.00 0.00 C ATOM 449 C ASN A 33 -9.414 0.348 -7.313 1.00 0.00 C ATOM 450 O ASN A 33 -10.395 1.004 -7.661 1.00 0.00 O ATOM 451 CB ASN A 33 -7.168 0.715 -8.286 1.00 0.00 C ATOM 452 CG ASN A 33 -7.572 1.546 -9.505 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.561 2.260 -9.502 1.00 0.00 O ATOM 454 ND2 ASN A 33 -6.753 1.414 -10.545 1.00 0.00 N ATOM 0 H ASN A 33 -6.505 0.236 -5.931 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.180 2.110 -6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.128 0.919 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.235 -0.346 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.936 1.928 -11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.942 0.799 -10.481 1.00 0.00 H new ATOM 461 N GLN A 34 -9.422 -0.961 -7.108 1.00 0.00 N ATOM 462 CA GLN A 34 -10.636 -1.739 -7.285 1.00 0.00 C ATOM 463 C GLN A 34 -11.737 -1.225 -6.355 1.00 0.00 C ATOM 464 O GLN A 34 -12.837 -0.909 -6.805 1.00 0.00 O ATOM 465 CB GLN A 34 -10.373 -3.228 -7.052 1.00 0.00 C ATOM 466 CG GLN A 34 -10.405 -4.004 -8.371 1.00 0.00 C ATOM 467 CD GLN A 34 -11.845 -4.286 -8.805 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.803 -3.932 -8.138 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.943 -4.942 -9.958 1.00 0.00 N ATOM 0 H GLN A 34 -8.607 -1.502 -6.821 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.972 -1.620 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.403 -3.359 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.122 -3.631 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.893 -3.433 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.865 -4.944 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.100 -5.209 -10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.861 -5.178 -10.334 1.00 0.00 H new ATOM 478 N TYR A 35 -11.402 -1.158 -5.075 1.00 0.00 N ATOM 479 CA TYR A 35 -12.348 -0.688 -4.078 1.00 0.00 C ATOM 480 C TYR A 35 -12.968 0.647 -4.496 1.00 0.00 C ATOM 481 O TYR A 35 -14.128 0.920 -4.191 1.00 0.00 O ATOM 482 CB TYR A 35 -11.541 -0.482 -2.794 1.00 0.00 C ATOM 483 CG TYR A 35 -12.327 0.188 -1.665 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.378 -0.477 -1.067 1.00 0.00 C ATOM 485 CD2 TYR A 35 -11.985 1.457 -1.246 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.117 0.153 -0.004 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.724 2.088 -0.183 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.754 1.405 0.385 1.00 0.00 C ATOM 489 OH TYR A 35 -14.453 2.000 1.389 1.00 0.00 O ATOM 0 H TYR A 35 -10.488 -1.421 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.159 -1.405 -3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.178 -1.449 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.664 0.124 -3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.646 -1.470 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.163 1.977 -1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.941 -0.357 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.466 3.081 0.155 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.991 1.327 1.857 1.00 0.00 H new ATOM 499 N PHE A 36 -12.166 1.445 -5.187 1.00 0.00 N ATOM 500 CA PHE A 36 -12.620 2.745 -5.649 1.00 0.00 C ATOM 501 C PHE A 36 -13.422 2.615 -6.946 1.00 0.00 C ATOM 502 O PHE A 36 -14.192 3.509 -7.296 1.00 0.00 O ATOM 503 CB PHE A 36 -11.371 3.586 -5.918 1.00 0.00 C ATOM 504 CG PHE A 36 -10.643 4.042 -4.652 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.148 3.729 -3.428 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.493 4.760 -4.750 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.472 4.152 -2.253 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.818 5.183 -3.574 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.322 4.870 -2.350 1.00 0.00 C ATOM 0 H PHE A 36 -11.204 1.215 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.264 3.203 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.681 3.007 -6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.655 4.464 -6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.062 3.159 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.093 5.009 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.872 3.903 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.904 5.753 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.809 5.192 -1.456 1.00 0.00 H new ATOM 519 N GLN A 37 -13.214 1.496 -7.624 1.00 0.00 N ATOM 520 CA GLN A 37 -13.908 1.238 -8.874 1.00 0.00 C ATOM 521 C GLN A 37 -15.267 0.588 -8.603 1.00 0.00 C ATOM 522 O GLN A 37 -16.257 0.915 -9.255 1.00 0.00 O ATOM 523 CB GLN A 37 -13.059 0.368 -9.803 1.00 0.00 C ATOM 524 CG GLN A 37 -12.066 1.220 -10.596 1.00 0.00 C ATOM 525 CD GLN A 37 -12.039 0.802 -12.068 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.443 -0.192 -12.447 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.716 1.616 -12.874 1.00 0.00 N ATOM 0 H GLN A 37 -12.574 0.757 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.077 2.190 -9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.519 -0.376 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.707 -0.176 -10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.340 2.272 -10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.069 1.118 -10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.193 2.432 -12.491 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.758 1.424 -13.875 1.00 0.00 H new ATOM 536 N LYS A 38 -15.270 -0.322 -7.640 1.00 0.00 N ATOM 537 CA LYS A 38 -16.490 -1.021 -7.274 1.00 0.00 C ATOM 538 C LYS A 38 -17.443 -0.045 -6.581 1.00 0.00 C ATOM 539 O LYS A 38 -18.562 0.170 -7.045 1.00 0.00 O ATOM 540 CB LYS A 38 -16.167 -2.262 -6.441 1.00 0.00 C ATOM 541 CG LYS A 38 -16.390 -3.541 -7.252 1.00 0.00 C ATOM 542 CD LYS A 38 -17.883 -3.809 -7.451 1.00 0.00 C ATOM 543 CE LYS A 38 -18.362 -4.944 -6.544 1.00 0.00 C ATOM 544 NZ LYS A 38 -19.207 -4.412 -5.451 1.00 0.00 N ATOM 0 H LYS A 38 -14.446 -0.591 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.001 -1.388 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.132 -2.218 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.794 -2.279 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.900 -3.451 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.930 -4.386 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.450 -2.903 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.074 -4.066 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.927 -5.670 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.504 -5.470 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.524 -5.195 -4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.656 -3.736 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.035 -3.930 -5.856 1.00 0.00 H new ATOM 558 N GLU A 39 -16.965 0.518 -5.481 1.00 0.00 N ATOM 559 CA GLU A 39 -17.761 1.465 -4.719 1.00 0.00 C ATOM 560 C GLU A 39 -17.954 2.758 -5.515 1.00 0.00 C ATOM 561 O GLU A 39 -18.770 3.601 -5.148 1.00 0.00 O ATOM 562 CB GLU A 39 -17.122 1.749 -3.359 1.00 0.00 C ATOM 563 CG GLU A 39 -17.587 0.736 -2.312 1.00 0.00 C ATOM 564 CD GLU A 39 -18.822 1.245 -1.566 1.00 0.00 C ATOM 565 OE1 GLU A 39 -18.818 2.444 -1.213 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.743 0.424 -1.366 1.00 0.00 O ATOM 0 H GLU A 39 -16.037 0.337 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.741 1.023 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.036 1.712 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.381 2.757 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.816 -0.213 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.782 0.546 -1.602 1.00 0.00 H new ATOM 573 N LYS A 40 -17.189 2.872 -6.591 1.00 0.00 N ATOM 574 CA LYS A 40 -17.265 4.048 -7.442 1.00 0.00 C ATOM 575 C LYS A 40 -16.704 5.255 -6.688 1.00 0.00 C ATOM 576 O LYS A 40 -17.060 6.395 -6.981 1.00 0.00 O ATOM 577 CB LYS A 40 -18.694 4.250 -7.949 1.00 0.00 C ATOM 578 CG LYS A 40 -18.749 4.178 -9.476 1.00 0.00 C ATOM 579 CD LYS A 40 -20.015 3.458 -9.946 1.00 0.00 C ATOM 580 CE LYS A 40 -20.669 4.203 -11.111 1.00 0.00 C ATOM 581 NZ LYS A 40 -22.098 3.832 -11.227 1.00 0.00 N ATOM 0 H LYS A 40 -16.514 2.170 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.651 3.914 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.346 3.488 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.070 5.217 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.723 5.185 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.869 3.656 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.767 2.442 -10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.720 3.378 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.578 5.279 -10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.149 3.966 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.527 4.347 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.179 2.808 -11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.594 4.080 -10.347 1.00 0.00 H new ATOM 595 N ILE A 41 -15.834 4.963 -5.731 1.00 0.00 N ATOM 596 CA ILE A 41 -15.220 6.011 -4.934 1.00 0.00 C ATOM 597 C ILE A 41 -14.043 6.610 -5.706 1.00 0.00 C ATOM 598 O ILE A 41 -13.571 6.024 -6.679 1.00 0.00 O ATOM 599 CB ILE A 41 -14.840 5.478 -3.551 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.083 5.048 -2.768 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.003 6.500 -2.780 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.730 3.998 -1.713 1.00 0.00 C ATOM 0 H ILE A 41 -15.540 4.016 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.929 6.819 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.221 4.591 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.532 5.916 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.827 4.644 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.747 6.096 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.089 6.715 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.576 7.419 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.631 3.710 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.304 3.121 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.004 4.414 -1.015 1.00 0.00 H new ATOM 614 N GLN A 42 -13.603 7.771 -5.244 1.00 0.00 N ATOM 615 CA GLN A 42 -12.491 8.457 -5.879 1.00 0.00 C ATOM 616 C GLN A 42 -11.437 8.837 -4.837 1.00 0.00 C ATOM 617 O GLN A 42 -11.753 9.476 -3.834 1.00 0.00 O ATOM 618 CB GLN A 42 -12.973 9.689 -6.647 1.00 0.00 C ATOM 619 CG GLN A 42 -13.955 10.509 -5.808 1.00 0.00 C ATOM 620 CD GLN A 42 -14.254 11.854 -6.472 1.00 0.00 C ATOM 621 OE1 GLN A 42 -13.435 12.426 -7.172 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.471 12.326 -6.214 1.00 0.00 N ATOM 0 H GLN A 42 -13.997 8.254 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.034 7.778 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.119 10.308 -6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.453 9.379 -7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.882 9.950 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.539 10.675 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.108 11.796 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.767 13.218 -6.611 1.00 0.00 H new ATOM 631 N GLY A 43 -10.206 8.429 -5.110 1.00 0.00 N ATOM 632 CA GLY A 43 -9.104 8.719 -4.209 1.00 0.00 C ATOM 633 C GLY A 43 -7.764 8.657 -4.944 1.00 0.00 C ATOM 634 O GLY A 43 -7.471 7.676 -5.626 1.00 0.00 O ATOM 0 H GLY A 43 -9.948 7.900 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.238 9.709 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.105 8.004 -3.386 1.00 0.00 H new ATOM 638 N GLU A 44 -6.986 9.717 -4.780 1.00 0.00 N ATOM 639 CA GLU A 44 -5.683 9.795 -5.419 1.00 0.00 C ATOM 640 C GLU A 44 -4.573 9.782 -4.366 1.00 0.00 C ATOM 641 O GLU A 44 -4.847 9.673 -3.172 1.00 0.00 O ATOM 642 CB GLU A 44 -5.582 11.037 -6.307 1.00 0.00 C ATOM 643 CG GLU A 44 -6.433 12.180 -5.751 1.00 0.00 C ATOM 644 CD GLU A 44 -6.406 13.390 -6.687 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.342 14.044 -6.738 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.450 13.634 -7.330 1.00 0.00 O ATOM 0 H GLU A 44 -7.233 10.529 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.560 8.920 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.542 11.354 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.910 10.793 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.461 11.842 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.063 12.468 -4.767 1.00 0.00 H new ATOM 653 N TYR A 45 -3.344 9.895 -4.847 1.00 0.00 N ATOM 654 CA TYR A 45 -2.192 9.898 -3.962 1.00 0.00 C ATOM 655 C TYR A 45 -1.535 11.279 -3.922 1.00 0.00 C ATOM 656 O TYR A 45 -1.489 11.978 -4.933 1.00 0.00 O ATOM 657 CB TYR A 45 -1.202 8.893 -4.556 1.00 0.00 C ATOM 658 CG TYR A 45 -1.687 7.442 -4.513 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.463 6.944 -5.539 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.348 6.633 -3.448 1.00 0.00 C ATOM 661 CE1 TYR A 45 -2.919 5.579 -5.499 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.805 5.268 -3.407 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.568 4.808 -4.435 1.00 0.00 C ATOM 664 OH TYR A 45 -2.999 3.519 -4.397 1.00 0.00 O ATOM 0 H TYR A 45 -3.121 9.985 -5.838 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.489 9.642 -2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.999 9.167 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.258 8.966 -4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.728 7.578 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.740 7.023 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.526 5.176 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.548 4.624 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.427 2.966 -4.968 1.00 0.00 H new ATOM 674 N LYS A 46 -1.043 11.631 -2.743 1.00 0.00 N ATOM 675 CA LYS A 46 -0.391 12.916 -2.557 1.00 0.00 C ATOM 676 C LYS A 46 1.104 12.694 -2.317 1.00 0.00 C ATOM 677 O LYS A 46 1.508 12.293 -1.226 1.00 0.00 O ATOM 678 CB LYS A 46 -1.081 13.711 -1.447 1.00 0.00 C ATOM 679 CG LYS A 46 -0.880 15.215 -1.645 1.00 0.00 C ATOM 680 CD LYS A 46 0.101 15.777 -0.614 1.00 0.00 C ATOM 681 CE LYS A 46 -0.042 17.296 -0.492 1.00 0.00 C ATOM 682 NZ LYS A 46 1.283 17.928 -0.310 1.00 0.00 N ATOM 0 H LYS A 46 -1.083 11.048 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.483 13.524 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.146 13.481 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.682 13.411 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.506 15.406 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.838 15.728 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.079 15.312 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.122 15.526 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.522 17.695 -1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.687 17.540 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.236 18.614 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.988 17.197 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.557 18.417 -1.186 1.00 0.00 H new ATOM 696 N TYR A 47 1.884 12.965 -3.353 1.00 0.00 N ATOM 697 CA TYR A 47 3.325 12.801 -3.268 1.00 0.00 C ATOM 698 C TYR A 47 3.997 14.090 -2.792 1.00 0.00 C ATOM 699 O TYR A 47 3.847 15.140 -3.416 1.00 0.00 O ATOM 700 CB TYR A 47 3.798 12.488 -4.689 1.00 0.00 C ATOM 701 CG TYR A 47 3.143 11.250 -5.304 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.587 9.990 -4.958 1.00 0.00 C ATOM 703 CD2 TYR A 47 2.108 11.393 -6.206 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.971 8.824 -5.537 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.491 10.227 -6.785 1.00 0.00 C ATOM 706 CZ TYR A 47 1.953 9.001 -6.422 1.00 0.00 C ATOM 707 OH TYR A 47 1.371 7.900 -6.969 1.00 0.00 O ATOM 0 H TYR A 47 1.545 13.297 -4.256 1.00 0.00 H new ATOM 0 HA TYR A 47 3.580 12.013 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.595 13.349 -5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.879 12.347 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.397 9.878 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.761 12.379 -6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.309 7.832 -5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.680 10.325 -7.491 1.00 0.00 H new ATOM 0 HH TYR A 47 0.658 8.177 -7.582 1.00 0.00 H new ATOM 717 N THR A 48 4.724 13.969 -1.691 1.00 0.00 N ATOM 718 CA THR A 48 5.419 15.112 -1.124 1.00 0.00 C ATOM 719 C THR A 48 6.934 14.929 -1.246 1.00 0.00 C ATOM 720 O THR A 48 7.507 14.039 -0.621 1.00 0.00 O ATOM 721 CB THR A 48 4.943 15.287 0.319 1.00 0.00 C ATOM 722 OG1 THR A 48 3.580 15.679 0.190 1.00 0.00 O ATOM 723 CG2 THR A 48 5.609 16.476 1.015 1.00 0.00 C ATOM 0 H THR A 48 4.847 13.097 -1.176 1.00 0.00 H new ATOM 0 HA THR A 48 5.188 16.026 -1.671 1.00 0.00 H new ATOM 0 HB THR A 48 5.148 14.376 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.192 15.812 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.236 16.555 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.689 16.329 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.377 17.392 0.472 1.00 0.00 H new ATOM 731 N GLN A 49 7.537 15.786 -2.056 1.00 0.00 N ATOM 732 CA GLN A 49 8.974 15.731 -2.269 1.00 0.00 C ATOM 733 C GLN A 49 9.708 16.414 -1.113 1.00 0.00 C ATOM 734 O GLN A 49 9.536 17.610 -0.885 1.00 0.00 O ATOM 735 CB GLN A 49 9.354 16.361 -3.610 1.00 0.00 C ATOM 736 CG GLN A 49 10.867 16.308 -3.831 1.00 0.00 C ATOM 737 CD GLN A 49 11.474 17.712 -3.811 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.825 18.701 -4.109 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.752 17.744 -3.444 1.00 0.00 N ATOM 0 H GLN A 49 7.057 16.523 -2.573 1.00 0.00 H new ATOM 0 HA GLN A 49 9.278 14.685 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.846 15.837 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.015 17.396 -3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.330 15.697 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.082 15.829 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.236 16.878 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.248 18.634 -3.399 1.00 0.00 H new ATOM 748 N VAL A 50 10.511 15.624 -0.415 1.00 0.00 N ATOM 749 CA VAL A 50 11.272 16.138 0.711 1.00 0.00 C ATOM 750 C VAL A 50 12.767 15.992 0.419 1.00 0.00 C ATOM 751 O VAL A 50 13.151 15.483 -0.633 1.00 0.00 O ATOM 752 CB VAL A 50 10.842 15.433 1.999 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.435 15.865 2.416 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.926 13.913 1.846 1.00 0.00 C ATOM 0 H VAL A 50 10.651 14.632 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 50 11.071 17.200 0.856 1.00 0.00 H new ATOM 0 HB VAL A 50 11.532 15.729 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.153 15.350 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.420 16.942 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.728 15.612 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.615 13.436 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.270 13.592 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.952 13.627 1.617 1.00 0.00 H new ATOM 764 N GLY A 51 13.570 16.447 1.370 1.00 0.00 N ATOM 765 CA GLY A 51 15.014 16.373 1.229 1.00 0.00 C ATOM 766 C GLY A 51 15.475 17.056 -0.060 1.00 0.00 C ATOM 767 O GLY A 51 14.658 17.584 -0.813 1.00 0.00 O ATOM 0 H GLY A 51 13.248 16.868 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.491 16.847 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.330 15.330 1.225 1.00 0.00 H new ATOM 771 N PRO A 52 16.816 17.022 -0.281 1.00 0.00 N ATOM 772 CA PRO A 52 17.395 17.631 -1.466 1.00 0.00 C ATOM 773 C PRO A 52 17.135 16.774 -2.706 1.00 0.00 C ATOM 774 O PRO A 52 16.924 15.567 -2.598 1.00 0.00 O ATOM 775 CB PRO A 52 18.874 17.783 -1.148 1.00 0.00 C ATOM 776 CG PRO A 52 19.151 16.835 0.008 1.00 0.00 C ATOM 777 CD PRO A 52 17.814 16.406 0.589 1.00 0.00 C ATOM 0 HA PRO A 52 16.951 18.598 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.487 17.533 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.111 18.811 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.714 15.967 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.757 17.327 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.716 15.320 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.703 16.744 1.619 1.00 0.00 H new ATOM 785 N ASP A 53 17.158 17.431 -3.856 1.00 0.00 N ATOM 786 CA ASP A 53 16.927 16.744 -5.116 1.00 0.00 C ATOM 787 C ASP A 53 17.916 15.584 -5.247 1.00 0.00 C ATOM 788 O ASP A 53 17.516 14.448 -5.497 1.00 0.00 O ATOM 789 CB ASP A 53 17.141 17.684 -6.303 1.00 0.00 C ATOM 790 CG ASP A 53 17.236 16.994 -7.665 1.00 0.00 C ATOM 791 OD1 ASP A 53 16.323 16.193 -7.961 1.00 0.00 O ATOM 792 OD2 ASP A 53 18.220 17.284 -8.381 1.00 0.00 O ATOM 0 H ASP A 53 17.333 18.432 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 53 15.898 16.386 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.320 18.401 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.056 18.253 -6.136 1.00 0.00 H new ATOM 797 N HIS A 54 19.188 15.910 -5.074 1.00 0.00 N ATOM 798 CA HIS A 54 20.237 14.909 -5.170 1.00 0.00 C ATOM 799 C HIS A 54 19.817 13.650 -4.409 1.00 0.00 C ATOM 800 O HIS A 54 20.067 12.534 -4.862 1.00 0.00 O ATOM 801 CB HIS A 54 21.574 15.475 -4.687 1.00 0.00 C ATOM 802 CG HIS A 54 21.816 15.300 -3.206 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.220 14.210 -2.492 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.642 16.324 -2.292 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.290 14.550 -1.211 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 21.932 15.860 -1.085 1.00 0.00 N flip ATOM 0 H HIS A 54 19.516 16.853 -4.868 1.00 0.00 H new ATOM 0 HA HIS A 54 20.383 14.629 -6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.381 14.991 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.616 16.537 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.324 17.330 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.582 13.897 -0.402 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.894 16.390 -0.214 1.00 0.00 H new ATOM 814 N ASN A 55 19.186 13.872 -3.266 1.00 0.00 N ATOM 815 CA ASN A 55 18.728 12.769 -2.437 1.00 0.00 C ATOM 816 C ASN A 55 17.411 13.156 -1.762 1.00 0.00 C ATOM 817 O ASN A 55 17.406 13.621 -0.623 1.00 0.00 O ATOM 818 CB ASN A 55 19.744 12.445 -1.341 1.00 0.00 C ATOM 819 CG ASN A 55 19.546 11.023 -0.812 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.956 10.171 -1.455 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.069 10.816 0.393 1.00 0.00 N ATOM 0 H ASN A 55 18.981 14.799 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 55 18.599 11.897 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.755 12.553 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.642 13.158 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.988 9.899 0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.551 11.574 0.877 1.00 0.00 H new ATOM 828 N ARG A 56 16.325 12.950 -2.493 1.00 0.00 N ATOM 829 CA ARG A 56 15.005 13.272 -1.979 1.00 0.00 C ATOM 830 C ARG A 56 14.135 12.015 -1.926 1.00 0.00 C ATOM 831 O ARG A 56 14.606 10.917 -2.219 1.00 0.00 O ATOM 832 CB ARG A 56 14.316 14.324 -2.851 1.00 0.00 C ATOM 833 CG ARG A 56 14.552 14.045 -4.336 1.00 0.00 C ATOM 834 CD ARG A 56 13.402 14.590 -5.186 1.00 0.00 C ATOM 835 NE ARG A 56 13.440 13.985 -6.536 1.00 0.00 N ATOM 836 CZ ARG A 56 12.781 14.472 -7.596 1.00 0.00 C ATOM 837 NH1 ARG A 56 12.031 15.575 -7.470 1.00 0.00 N ATOM 838 NH2 ARG A 56 12.874 13.857 -8.783 1.00 0.00 N ATOM 0 H ARG A 56 16.333 12.564 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 56 15.130 13.675 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.246 14.329 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.694 15.315 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.490 14.502 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.651 12.971 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.448 14.370 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.477 15.675 -5.262 1.00 0.00 H new ATOM 0 HE ARG A 56 14.003 13.145 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.962 16.044 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.529 15.946 -8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.446 13.018 -8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.372 14.228 -9.590 1.00 0.00 H new ATOM 852 N SER A 57 12.881 12.217 -1.550 1.00 0.00 N ATOM 853 CA SER A 57 11.941 11.113 -1.454 1.00 0.00 C ATOM 854 C SER A 57 10.506 11.645 -1.462 1.00 0.00 C ATOM 855 O SER A 57 10.137 12.457 -0.615 1.00 0.00 O ATOM 856 CB SER A 57 12.192 10.283 -0.194 1.00 0.00 C ATOM 857 OG SER A 57 13.487 10.519 0.352 1.00 0.00 O ATOM 0 H SER A 57 12.494 13.129 -1.308 1.00 0.00 H new ATOM 0 HA SER A 57 12.086 10.465 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.435 10.520 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.086 9.224 -0.430 1.00 0.00 H new ATOM 0 HG SER A 57 13.608 9.972 1.156 1.00 0.00 H new ATOM 863 N PHE A 58 9.737 11.166 -2.429 1.00 0.00 N ATOM 864 CA PHE A 58 8.351 11.583 -2.558 1.00 0.00 C ATOM 865 C PHE A 58 7.458 10.834 -1.567 1.00 0.00 C ATOM 866 O PHE A 58 7.242 9.631 -1.707 1.00 0.00 O ATOM 867 CB PHE A 58 7.912 11.240 -3.983 1.00 0.00 C ATOM 868 CG PHE A 58 8.517 12.146 -5.056 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.763 11.890 -5.539 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.811 13.209 -5.527 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.325 12.731 -6.536 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.373 14.050 -6.523 1.00 0.00 C ATOM 873 CZ PHE A 58 9.618 13.793 -7.007 1.00 0.00 C ATOM 0 H PHE A 58 10.047 10.493 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 58 8.262 12.649 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.186 10.207 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.825 11.300 -4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.325 11.047 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.822 13.413 -5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.314 12.527 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.812 14.894 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.045 14.432 -7.765 1.00 0.00 H new ATOM 883 N ILE A 59 6.963 11.576 -0.588 1.00 0.00 N ATOM 884 CA ILE A 59 6.098 10.997 0.426 1.00 0.00 C ATOM 885 C ILE A 59 4.679 10.870 -0.132 1.00 0.00 C ATOM 886 O ILE A 59 3.941 11.852 -0.192 1.00 0.00 O ATOM 887 CB ILE A 59 6.178 11.804 1.724 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.382 11.373 2.564 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.868 11.712 2.509 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.756 12.454 3.580 1.00 0.00 C ATOM 0 H ILE A 59 7.144 12.573 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 59 6.432 9.991 0.682 1.00 0.00 H new ATOM 0 HB ILE A 59 6.325 12.853 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.153 10.443 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.232 11.172 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.952 12.294 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.052 12.106 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.665 10.670 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.615 12.123 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.008 13.375 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.912 12.635 4.246 1.00 0.00 H new ATOM 902 N ALA A 60 4.340 9.651 -0.526 1.00 0.00 N ATOM 903 CA ALA A 60 3.022 9.382 -1.077 1.00 0.00 C ATOM 904 C ALA A 60 2.044 9.102 0.065 1.00 0.00 C ATOM 905 O ALA A 60 2.111 8.050 0.700 1.00 0.00 O ATOM 906 CB ALA A 60 3.111 8.220 -2.068 1.00 0.00 C ATOM 0 H ALA A 60 4.955 8.839 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 60 2.650 10.248 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.123 8.018 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.795 8.482 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.478 7.331 -1.555 1.00 0.00 H new ATOM 912 N GLU A 61 1.158 10.060 0.291 1.00 0.00 N ATOM 913 CA GLU A 61 0.167 9.929 1.346 1.00 0.00 C ATOM 914 C GLU A 61 -1.243 9.915 0.751 1.00 0.00 C ATOM 915 O GLU A 61 -1.516 10.614 -0.223 1.00 0.00 O ATOM 916 CB GLU A 61 0.314 11.048 2.379 1.00 0.00 C ATOM 917 CG GLU A 61 0.056 12.416 1.746 1.00 0.00 C ATOM 918 CD GLU A 61 0.573 13.542 2.645 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.757 13.458 3.036 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.228 14.461 2.920 1.00 0.00 O ATOM 0 H GLU A 61 1.105 10.930 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 61 0.334 8.982 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.386 10.885 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.317 11.024 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.545 12.469 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.012 12.545 1.573 1.00 0.00 H new ATOM 927 N MET A 62 -2.101 9.111 1.362 1.00 0.00 N ATOM 928 CA MET A 62 -3.475 8.996 0.905 1.00 0.00 C ATOM 929 C MET A 62 -4.429 8.792 2.083 1.00 0.00 C ATOM 930 O MET A 62 -4.089 8.114 3.051 1.00 0.00 O ATOM 931 CB MET A 62 -3.595 7.816 -0.061 1.00 0.00 C ATOM 932 CG MET A 62 -5.060 7.531 -0.399 1.00 0.00 C ATOM 933 SD MET A 62 -5.170 6.145 -1.517 1.00 0.00 S ATOM 934 CE MET A 62 -5.336 7.010 -3.070 1.00 0.00 C ATOM 0 H MET A 62 -1.871 8.533 2.170 1.00 0.00 H new ATOM 0 HA MET A 62 -3.748 9.921 0.397 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.043 8.032 -0.975 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.142 6.930 0.383 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.617 7.318 0.513 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.515 8.412 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.731 6.330 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.018 7.851 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.360 7.378 -3.388 1.00 0.00 H new ATOM 944 N THR A 63 -5.605 9.390 1.962 1.00 0.00 N ATOM 945 CA THR A 63 -6.611 9.282 3.004 1.00 0.00 C ATOM 946 C THR A 63 -7.972 8.931 2.399 1.00 0.00 C ATOM 947 O THR A 63 -8.344 9.459 1.352 1.00 0.00 O ATOM 948 CB THR A 63 -6.617 10.593 3.793 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.249 10.802 4.130 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.318 10.458 5.147 1.00 0.00 C ATOM 0 H THR A 63 -5.884 9.951 1.157 1.00 0.00 H new ATOM 0 HA THR A 63 -6.379 8.471 3.694 1.00 0.00 H new ATOM 0 HB THR A 63 -7.109 11.368 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.060 10.392 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.294 11.416 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.353 10.155 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.806 9.707 5.748 1.00 0.00 H new ATOM 958 N ILE A 64 -8.677 8.042 3.083 1.00 0.00 N ATOM 959 CA ILE A 64 -9.988 7.614 2.626 1.00 0.00 C ATOM 960 C ILE A 64 -10.934 7.515 3.824 1.00 0.00 C ATOM 961 O ILE A 64 -10.488 7.373 4.962 1.00 0.00 O ATOM 962 CB ILE A 64 -9.877 6.318 1.820 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.859 5.365 2.450 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.558 6.610 0.353 1.00 0.00 C ATOM 965 CD1 ILE A 64 -9.060 3.935 1.945 1.00 0.00 C ATOM 0 H ILE A 64 -8.365 7.606 3.951 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.414 8.351 1.944 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.845 5.817 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.849 5.699 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.957 5.388 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.485 5.672 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.351 7.222 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.611 7.145 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.324 3.279 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.063 3.595 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.937 3.911 0.862 1.00 0.00 H new ATOM 977 N TYR A 65 -12.223 7.593 3.528 1.00 0.00 N ATOM 978 CA TYR A 65 -13.236 7.513 4.566 1.00 0.00 C ATOM 979 C TYR A 65 -14.167 6.321 4.335 1.00 0.00 C ATOM 980 O TYR A 65 -14.571 6.056 3.204 1.00 0.00 O ATOM 981 CB TYR A 65 -14.047 8.806 4.464 1.00 0.00 C ATOM 982 CG TYR A 65 -15.316 8.814 5.318 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.441 8.138 4.889 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.337 9.497 6.517 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.635 8.145 5.693 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.532 9.504 7.321 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.622 8.827 6.869 1.00 0.00 C ATOM 988 OH TYR A 65 -18.750 8.834 7.628 1.00 0.00 O ATOM 0 H TYR A 65 -12.589 7.711 2.583 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.773 7.386 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.416 9.643 4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.322 8.969 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.425 7.604 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.457 10.026 6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.522 7.620 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.562 10.035 8.261 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.594 9.360 8.440 1.00 0.00 H new ATOM 998 N ILE A 66 -14.480 5.636 5.424 1.00 0.00 N ATOM 999 CA ILE A 66 -15.356 4.478 5.354 1.00 0.00 C ATOM 1000 C ILE A 66 -16.676 4.800 6.057 1.00 0.00 C ATOM 1001 O ILE A 66 -16.692 5.082 7.255 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.650 3.238 5.906 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.229 3.123 5.351 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.473 1.976 5.641 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.234 3.148 3.822 1.00 0.00 C ATOM 0 H ILE A 66 -14.143 5.860 6.360 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.596 4.243 4.317 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.565 3.346 6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.619 3.943 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.772 2.198 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.949 1.109 6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.446 2.068 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.611 1.851 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.212 3.065 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.824 2.312 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.670 4.085 3.475 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.750 4.746 5.284 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.072 5.028 5.818 1.00 0.00 C ATOM 1019 C LYS A 67 -19.563 3.819 6.617 1.00 0.00 C ATOM 1020 O LYS A 67 -20.192 3.975 7.662 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.023 5.452 4.698 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.057 4.406 3.582 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.736 5.040 2.227 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.750 4.607 1.165 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.603 5.428 -0.057 1.00 0.00 N ATOM 0 H LYS A 67 -17.732 4.511 4.292 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.032 5.872 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.026 5.591 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.706 6.413 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.338 3.616 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.042 3.940 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.742 6.126 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.732 4.752 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.605 3.554 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.762 4.707 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.298 5.121 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.764 6.429 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.643 5.312 -0.440 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.255 2.640 6.095 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.657 1.405 6.746 1.00 0.00 C ATOM 1041 C GLN A 68 -19.018 1.304 8.133 1.00 0.00 C ATOM 1042 O GLN A 68 -19.468 0.525 8.972 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.299 0.191 5.887 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.801 0.161 5.577 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.423 -1.115 4.822 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.170 -2.158 5.401 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.398 -0.973 3.499 1.00 0.00 N ATOM 0 H GLN A 68 -18.732 2.514 5.229 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.740 1.416 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.585 -0.724 6.407 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.866 0.219 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.532 1.033 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.233 0.221 6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.621 -0.071 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.156 -1.766 2.905 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.980 2.102 8.330 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.274 2.112 9.600 1.00 0.00 C ATOM 1058 C LEU A 69 -17.658 3.370 10.382 1.00 0.00 C ATOM 1059 O LEU A 69 -17.761 3.337 11.607 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.768 1.962 9.378 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.311 0.641 8.756 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.836 0.372 9.063 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.208 -0.515 9.202 1.00 0.00 C ATOM 0 H LEU A 69 -17.610 2.747 7.631 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.570 1.256 10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.432 2.778 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.265 2.082 10.338 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.406 0.723 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.536 -0.573 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.227 1.179 8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.693 0.318 10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.861 -1.442 8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.169 -0.608 10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.234 -0.320 8.892 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.859 4.450 9.641 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.229 5.717 10.249 1.00 0.00 C ATOM 1077 C GLY A 70 -16.991 6.566 10.545 1.00 0.00 C ATOM 1078 O GLY A 70 -17.084 7.594 11.213 1.00 0.00 O ATOM 0 H GLY A 70 -17.773 4.474 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.898 6.262 9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.778 5.534 11.173 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.860 6.103 10.033 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.604 6.807 10.234 1.00 0.00 C ATOM 1084 C ARG A 71 -13.795 6.830 8.935 1.00 0.00 C ATOM 1085 O ARG A 71 -14.294 6.438 7.882 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.772 6.145 11.333 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.162 4.830 10.843 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.650 4.964 10.652 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.937 4.168 11.675 1.00 0.00 N ATOM 1090 CZ ARG A 71 -9.677 4.401 12.065 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -8.982 5.408 11.519 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.111 3.626 13.001 1.00 0.00 N ATOM 0 H ARG A 71 -15.787 5.249 9.480 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.840 7.827 10.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.979 6.822 11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.399 5.957 12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.372 4.038 11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.627 4.538 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.370 4.624 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.357 6.011 10.726 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.436 3.393 12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.412 5.997 10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.022 5.585 11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.640 2.859 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.151 3.803 13.298 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.560 7.294 9.053 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.677 7.374 7.902 1.00 0.00 C ATOM 1108 C ARG A 72 -10.243 7.028 8.308 1.00 0.00 C ATOM 1109 O ARG A 72 -9.845 7.256 9.449 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.702 8.774 7.285 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.563 9.850 8.363 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.313 10.702 8.130 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.558 12.092 8.573 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.796 13.138 8.223 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.736 12.956 7.424 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.094 14.364 8.673 1.00 0.00 N ATOM 0 H ARG A 72 -12.150 7.619 9.929 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.031 6.657 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.892 8.871 6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.635 8.919 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.447 10.487 8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.510 9.381 9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.469 10.281 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.047 10.690 7.073 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.357 12.265 9.183 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.509 12.022 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.156 13.751 7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.901 14.502 9.282 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.514 15.160 8.407 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.506 6.483 7.351 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.125 6.103 7.595 1.00 0.00 C ATOM 1132 C ILE A 73 -7.202 6.988 6.754 1.00 0.00 C ATOM 1133 O ILE A 73 -7.617 7.527 5.730 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.930 4.605 7.351 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.417 4.208 5.956 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.602 3.779 8.450 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.975 2.787 5.605 1.00 0.00 C ATOM 0 H ILE A 73 -9.839 6.296 6.405 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.863 6.269 8.640 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.863 4.388 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.504 4.275 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.025 4.907 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.449 2.718 8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.166 4.035 9.416 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.670 3.994 8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.334 2.530 4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.887 2.729 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.389 2.087 6.331 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.967 7.110 7.220 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.982 7.920 6.524 1.00 0.00 C ATOM 1151 C PHE A 74 -3.653 7.173 6.391 1.00 0.00 C ATOM 1152 O PHE A 74 -3.323 6.332 7.226 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.764 9.179 7.365 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.456 9.912 7.060 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.271 9.390 7.476 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.478 11.086 6.374 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.057 10.070 7.193 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.264 11.766 6.091 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.079 11.244 6.507 1.00 0.00 C ATOM 0 H PHE A 74 -5.627 6.662 8.071 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.337 8.157 5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.598 9.862 7.201 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.778 8.906 8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.253 8.458 8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.419 11.501 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.116 9.655 7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.282 12.698 5.545 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.156 11.762 6.293 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.926 7.507 5.335 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.641 6.879 5.082 1.00 0.00 C ATOM 1171 C ALA A 75 -0.634 7.945 4.647 1.00 0.00 C ATOM 1172 O ALA A 75 -1.019 9.004 4.154 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.809 5.774 4.037 1.00 0.00 C ATOM 0 H ALA A 75 -3.203 8.205 4.645 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.256 6.413 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.845 5.303 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.511 5.027 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.191 6.204 3.111 1.00 0.00 H new ATOM 1179 N ARG A 76 0.638 7.628 4.844 1.00 0.00 N ATOM 1180 CA ARG A 76 1.703 8.546 4.478 1.00 0.00 C ATOM 1181 C ARG A 76 3.064 7.857 4.605 1.00 0.00 C ATOM 1182 O ARG A 76 3.624 7.778 5.697 1.00 0.00 O ATOM 1183 CB ARG A 76 1.686 9.792 5.365 1.00 0.00 C ATOM 1184 CG ARG A 76 2.783 10.775 4.951 1.00 0.00 C ATOM 1185 CD ARG A 76 3.600 11.227 6.163 1.00 0.00 C ATOM 1186 NE ARG A 76 4.921 10.562 6.159 1.00 0.00 N ATOM 1187 CZ ARG A 76 5.783 10.596 7.185 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.467 11.264 8.303 1.00 0.00 N ATOM 1189 NH2 ARG A 76 6.960 9.963 7.093 1.00 0.00 N ATOM 0 H ARG A 76 0.954 6.748 5.252 1.00 0.00 H new ATOM 0 HA ARG A 76 1.539 8.848 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.713 10.278 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.826 9.503 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.440 10.305 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.335 11.642 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.728 12.309 6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.066 10.987 7.082 1.00 0.00 H new ATOM 0 HE ARG A 76 5.193 10.045 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.571 11.746 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.123 11.290 9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.201 9.455 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.616 9.989 7.874 1.00 0.00 H new ATOM 1203 N GLU A 77 3.556 7.376 3.472 1.00 0.00 N ATOM 1204 CA GLU A 77 4.840 6.697 3.443 1.00 0.00 C ATOM 1205 C GLU A 77 5.828 7.467 2.565 1.00 0.00 C ATOM 1206 O GLU A 77 5.469 8.476 1.959 1.00 0.00 O ATOM 1207 CB GLU A 77 4.686 5.254 2.959 1.00 0.00 C ATOM 1208 CG GLU A 77 3.905 4.416 3.973 1.00 0.00 C ATOM 1209 CD GLU A 77 4.730 4.179 5.240 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.499 3.193 5.240 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.574 4.989 6.179 1.00 0.00 O ATOM 0 H GLU A 77 3.088 7.443 2.568 1.00 0.00 H new ATOM 0 HA GLU A 77 5.235 6.665 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.171 5.242 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.670 4.813 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.975 4.923 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.634 3.459 3.527 1.00 0.00 H new ATOM 1218 N HIS A 78 7.052 6.963 2.524 1.00 0.00 N ATOM 1219 CA HIS A 78 8.094 7.591 1.730 1.00 0.00 C ATOM 1220 C HIS A 78 8.720 6.555 0.793 1.00 0.00 C ATOM 1221 O HIS A 78 9.565 5.765 1.210 1.00 0.00 O ATOM 1222 CB HIS A 78 9.125 8.275 2.630 1.00 0.00 C ATOM 1223 CG HIS A 78 9.533 7.454 3.830 1.00 0.00 C ATOM 1224 ND1 HIS A 78 10.247 6.274 3.724 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.321 7.657 5.162 1.00 0.00 C ATOM 1226 CE1 HIS A 78 10.449 5.795 4.942 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.874 6.654 5.833 1.00 0.00 N ATOM 0 H HIS A 78 7.346 6.126 3.028 1.00 0.00 H new ATOM 0 HA HIS A 78 7.661 8.376 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.013 8.503 2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.718 9.226 2.974 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.564 5.845 2.855 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.793 8.492 5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.976 4.885 5.187 1.00 0.00 H new ATOM 1235 N GLY A 79 8.280 6.593 -0.456 1.00 0.00 N ATOM 1236 CA GLY A 79 8.786 5.668 -1.456 1.00 0.00 C ATOM 1237 C GLY A 79 9.795 6.355 -2.378 1.00 0.00 C ATOM 1238 O GLY A 79 9.774 7.576 -2.527 1.00 0.00 O ATOM 0 H GLY A 79 7.579 7.250 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.258 4.818 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.958 5.276 -2.046 1.00 0.00 H new ATOM 1242 N SER A 80 10.655 5.541 -2.972 1.00 0.00 N ATOM 1243 CA SER A 80 11.670 6.055 -3.876 1.00 0.00 C ATOM 1244 C SER A 80 11.011 6.837 -5.014 1.00 0.00 C ATOM 1245 O SER A 80 11.309 8.012 -5.218 1.00 0.00 O ATOM 1246 CB SER A 80 12.531 4.923 -4.439 1.00 0.00 C ATOM 1247 OG SER A 80 13.879 4.998 -3.982 1.00 0.00 O ATOM 0 H SER A 80 10.670 4.529 -2.845 1.00 0.00 H new ATOM 0 HA SER A 80 12.321 6.724 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.103 3.964 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.515 4.963 -5.528 1.00 0.00 H new ATOM 0 HG SER A 80 14.395 4.257 -4.363 1.00 0.00 H new ATOM 1253 N ASN A 81 10.127 6.152 -5.724 1.00 0.00 N ATOM 1254 CA ASN A 81 9.423 6.768 -6.837 1.00 0.00 C ATOM 1255 C ASN A 81 7.921 6.776 -6.542 1.00 0.00 C ATOM 1256 O ASN A 81 7.450 6.034 -5.682 1.00 0.00 O ATOM 1257 CB ASN A 81 9.646 5.984 -8.131 1.00 0.00 C ATOM 1258 CG ASN A 81 9.465 4.482 -7.901 1.00 0.00 C ATOM 1259 OD1 ASN A 81 8.367 3.983 -7.723 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.602 3.792 -7.915 1.00 0.00 N ATOM 0 H ASN A 81 9.882 5.177 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 81 9.805 7.781 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.945 6.326 -8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.649 6.179 -8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.588 2.782 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.488 4.273 -8.070 1.00 0.00 H new ATOM 1267 N LYS A 82 7.212 7.624 -7.273 1.00 0.00 N ATOM 1268 CA LYS A 82 5.774 7.740 -7.100 1.00 0.00 C ATOM 1269 C LYS A 82 5.170 6.342 -6.945 1.00 0.00 C ATOM 1270 O LYS A 82 4.609 6.018 -5.900 1.00 0.00 O ATOM 1271 CB LYS A 82 5.161 8.551 -8.243 1.00 0.00 C ATOM 1272 CG LYS A 82 5.414 10.048 -8.050 1.00 0.00 C ATOM 1273 CD LYS A 82 4.674 10.870 -9.108 1.00 0.00 C ATOM 1274 CE LYS A 82 4.503 12.321 -8.653 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.056 13.249 -9.665 1.00 0.00 N ATOM 0 H LYS A 82 7.607 8.237 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 82 5.542 8.291 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.586 8.226 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.088 8.363 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.087 10.350 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.483 10.250 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.226 10.842 -10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.697 10.427 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.447 12.536 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.008 12.471 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.932 14.230 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.069 13.054 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.556 13.117 -10.567 1.00 0.00 H new ATOM 1289 N LYS A 83 5.305 5.553 -8.001 1.00 0.00 N ATOM 1290 CA LYS A 83 4.780 4.199 -7.995 1.00 0.00 C ATOM 1291 C LYS A 83 5.059 3.554 -6.636 1.00 0.00 C ATOM 1292 O LYS A 83 4.137 3.305 -5.861 1.00 0.00 O ATOM 1293 CB LYS A 83 5.334 3.404 -9.179 1.00 0.00 C ATOM 1294 CG LYS A 83 4.213 2.986 -10.132 1.00 0.00 C ATOM 1295 CD LYS A 83 4.317 3.734 -11.463 1.00 0.00 C ATOM 1296 CE LYS A 83 4.186 2.772 -12.645 1.00 0.00 C ATOM 1297 NZ LYS A 83 4.642 3.420 -13.894 1.00 0.00 N ATOM 0 H LYS A 83 5.771 5.826 -8.866 1.00 0.00 H new ATOM 0 HA LYS A 83 3.698 4.210 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.066 4.007 -9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.856 2.519 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.264 1.912 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.246 3.188 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.537 4.493 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.273 4.255 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.776 1.874 -12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.148 2.456 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.546 2.753 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.062 4.263 -14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.639 3.700 -13.796 1.00 0.00 H new ATOM 1311 N LEU A 84 6.336 3.301 -6.388 1.00 0.00 N ATOM 1312 CA LEU A 84 6.749 2.690 -5.136 1.00 0.00 C ATOM 1313 C LEU A 84 5.926 3.280 -3.990 1.00 0.00 C ATOM 1314 O LEU A 84 5.057 2.609 -3.435 1.00 0.00 O ATOM 1315 CB LEU A 84 8.260 2.831 -4.944 1.00 0.00 C ATOM 1316 CG LEU A 84 9.130 1.830 -5.709 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.616 2.135 -5.514 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.784 0.392 -5.318 1.00 0.00 C ATOM 0 H LEU A 84 7.098 3.508 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 84 6.552 1.618 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.552 3.838 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.482 2.737 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 84 8.916 1.935 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.212 1.410 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.833 3.138 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.864 2.075 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.416 -0.299 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.951 0.255 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.738 0.194 -5.550 1.00 0.00 H new ATOM 1330 N ALA A 85 6.228 4.530 -3.669 1.00 0.00 N ATOM 1331 CA ALA A 85 5.527 5.218 -2.598 1.00 0.00 C ATOM 1332 C ALA A 85 4.048 4.825 -2.628 1.00 0.00 C ATOM 1333 O ALA A 85 3.551 4.196 -1.695 1.00 0.00 O ATOM 1334 CB ALA A 85 5.731 6.727 -2.741 1.00 0.00 C ATOM 0 H ALA A 85 6.949 5.084 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 85 5.927 4.925 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.205 7.243 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.795 6.957 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.338 7.058 -3.703 1.00 0.00 H new ATOM 1340 N ALA A 86 3.387 5.211 -3.709 1.00 0.00 N ATOM 1341 CA ALA A 86 1.976 4.907 -3.872 1.00 0.00 C ATOM 1342 C ALA A 86 1.706 3.482 -3.386 1.00 0.00 C ATOM 1343 O ALA A 86 0.963 3.279 -2.427 1.00 0.00 O ATOM 1344 CB ALA A 86 1.576 5.110 -5.335 1.00 0.00 C ATOM 0 H ALA A 86 3.803 5.732 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 86 1.366 5.581 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.517 4.882 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.760 6.145 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.166 4.448 -5.969 1.00 0.00 H new ATOM 1350 N GLN A 87 2.325 2.530 -4.070 1.00 0.00 N ATOM 1351 CA GLN A 87 2.161 1.130 -3.720 1.00 0.00 C ATOM 1352 C GLN A 87 2.115 0.965 -2.199 1.00 0.00 C ATOM 1353 O GLN A 87 1.253 0.262 -1.673 1.00 0.00 O ATOM 1354 CB GLN A 87 3.276 0.278 -4.330 1.00 0.00 C ATOM 1355 CG GLN A 87 2.710 -0.729 -5.333 1.00 0.00 C ATOM 1356 CD GLN A 87 3.674 -1.899 -5.540 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.346 -3.053 -5.322 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.879 -1.537 -5.972 1.00 0.00 N ATOM 0 H GLN A 87 2.941 2.702 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 87 1.215 0.781 -4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.001 0.923 -4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.808 -0.251 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.750 -1.103 -4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.524 -0.233 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.088 -0.552 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.594 -2.245 -6.141 1.00 0.00 H new ATOM 1367 N SER A 88 3.054 1.624 -1.536 1.00 0.00 N ATOM 1368 CA SER A 88 3.131 1.559 -0.086 1.00 0.00 C ATOM 1369 C SER A 88 1.879 2.183 0.533 1.00 0.00 C ATOM 1370 O SER A 88 1.199 1.550 1.340 1.00 0.00 O ATOM 1371 CB SER A 88 4.386 2.264 0.431 1.00 0.00 C ATOM 1372 OG SER A 88 5.067 1.490 1.415 1.00 0.00 O ATOM 0 H SER A 88 3.768 2.205 -1.976 1.00 0.00 H new ATOM 0 HA SER A 88 3.189 0.511 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.059 2.463 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.110 3.229 0.856 1.00 0.00 H new ATOM 0 HG SER A 88 5.863 1.974 1.718 1.00 0.00 H new ATOM 1378 N CYS A 89 1.611 3.417 0.132 1.00 0.00 N ATOM 1379 CA CYS A 89 0.453 4.134 0.637 1.00 0.00 C ATOM 1380 C CYS A 89 -0.753 3.193 0.590 1.00 0.00 C ATOM 1381 O CYS A 89 -1.362 2.906 1.620 1.00 0.00 O ATOM 1382 CB CYS A 89 0.200 5.424 -0.145 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.620 6.658 0.930 1.00 0.00 S ATOM 0 H CYS A 89 2.177 3.939 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 89 0.634 4.441 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.143 5.824 -0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.424 5.216 -1.014 1.00 0.00 H new ATOM 0 HG CYS A 89 0.034 6.761 2.049 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.061 2.737 -0.615 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.182 1.834 -0.810 1.00 0.00 C ATOM 1391 C ALA A 90 -2.156 0.755 0.273 1.00 0.00 C ATOM 1392 O ALA A 90 -3.013 0.735 1.155 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.125 1.246 -2.221 1.00 0.00 C ATOM 0 H ALA A 90 -0.553 2.976 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.127 2.370 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.966 0.568 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.177 2.052 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.191 0.698 -2.349 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.164 -0.117 0.171 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.015 -1.197 1.132 1.00 0.00 C ATOM 1401 C LEU A 91 -1.320 -0.671 2.536 1.00 0.00 C ATOM 1402 O LEU A 91 -1.891 -1.385 3.359 1.00 0.00 O ATOM 1403 CB LEU A 91 0.367 -1.842 1.003 1.00 0.00 C ATOM 1404 CG LEU A 91 0.694 -2.936 2.022 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.070 -4.223 1.709 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.203 -3.171 2.108 1.00 0.00 C ATOM 0 H LEU A 91 -0.455 -0.098 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.732 -1.991 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.456 -2.266 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.121 -1.059 1.086 1.00 0.00 H new ATOM 0 HG LEU A 91 0.364 -2.598 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.181 -4.984 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.142 -4.027 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.206 -4.577 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.408 -3.953 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.580 -3.478 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.698 -2.249 2.414 1.00 0.00 H new ATOM 1418 N SER A 92 -0.926 0.573 2.766 1.00 0.00 N ATOM 1419 CA SER A 92 -1.150 1.202 4.056 1.00 0.00 C ATOM 1420 C SER A 92 -2.645 1.209 4.382 1.00 0.00 C ATOM 1421 O SER A 92 -3.049 0.784 5.463 1.00 0.00 O ATOM 1422 CB SER A 92 -0.596 2.628 4.076 1.00 0.00 C ATOM 1423 OG SER A 92 -0.112 2.995 5.365 1.00 0.00 O ATOM 0 H SER A 92 -0.453 1.162 2.081 1.00 0.00 H new ATOM 0 HA SER A 92 -0.622 0.625 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.211 2.714 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.377 3.324 3.770 1.00 0.00 H new ATOM 0 HG SER A 92 0.235 3.911 5.336 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.424 1.695 3.427 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.866 1.762 3.600 1.00 0.00 C ATOM 1431 C LEU A 93 -5.445 0.346 3.576 1.00 0.00 C ATOM 1432 O LEU A 93 -6.285 0.001 4.405 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.487 2.698 2.561 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.001 4.149 2.591 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.932 4.675 4.026 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.664 4.295 1.862 1.00 0.00 C ATOM 0 H LEU A 93 -3.085 2.046 2.531 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.114 2.191 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.290 2.290 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.568 2.695 2.698 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.727 4.763 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.584 5.708 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.923 4.629 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.240 4.063 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.342 5.336 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.916 3.666 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.781 3.987 0.823 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.972 -0.436 2.616 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.432 -1.807 2.473 1.00 0.00 C ATOM 1450 C VAL A 94 -5.309 -2.524 3.819 1.00 0.00 C ATOM 1451 O VAL A 94 -6.259 -3.156 4.278 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.659 -2.503 1.351 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.157 -3.936 1.150 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.746 -1.705 0.049 1.00 0.00 C ATOM 0 H VAL A 94 -4.275 -0.146 1.930 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.484 -1.830 2.188 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.611 -2.551 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.591 -4.409 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.020 -4.501 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.215 -3.920 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.188 -2.221 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.790 -1.612 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.322 -0.712 0.202 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.131 -2.403 4.412 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.871 -3.033 5.696 1.00 0.00 C ATOM 1466 C ARG A 95 -4.908 -2.583 6.727 1.00 0.00 C ATOM 1467 O ARG A 95 -5.530 -3.412 7.389 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.471 -2.686 6.206 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.497 -3.840 5.961 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.216 -3.343 5.287 1.00 0.00 C ATOM 1471 NE ARG A 95 0.906 -3.366 6.252 1.00 0.00 N ATOM 1472 CZ ARG A 95 2.004 -2.607 6.145 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.135 -1.759 5.116 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.972 -2.695 7.068 1.00 0.00 N ATOM 0 H ARG A 95 -3.345 -1.878 4.028 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.937 -4.112 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.110 -1.788 5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.514 -2.461 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.251 -4.320 6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.972 -4.595 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.020 -3.971 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.362 -2.330 4.911 1.00 0.00 H new ATOM 0 HE ARG A 95 0.839 -4.000 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.398 -1.691 4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.971 -1.181 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.872 -3.340 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.808 -2.117 6.987 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.063 -1.271 6.830 1.00 0.00 N ATOM 1489 CA GLN A 96 -6.014 -0.701 7.769 1.00 0.00 C ATOM 1490 C GLN A 96 -7.426 -1.210 7.470 1.00 0.00 C ATOM 1491 O GLN A 96 -8.182 -1.527 8.386 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.964 0.828 7.740 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.996 1.365 8.796 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.593 2.808 8.487 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.731 3.707 9.300 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.088 2.979 7.268 1.00 0.00 N ATOM 0 H GLN A 96 -4.546 -0.586 6.278 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.739 -1.021 8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.654 1.167 6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.961 1.231 7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.462 1.317 9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.107 0.735 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.000 2.183 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.789 3.906 6.965 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.737 -1.272 6.183 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.044 -1.737 5.751 1.00 0.00 C ATOM 1507 C LEU A 97 -9.274 -3.156 6.274 1.00 0.00 C ATOM 1508 O LEU A 97 -10.270 -3.420 6.947 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.183 -1.610 4.233 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.316 -0.187 3.688 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.941 -0.130 2.206 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.717 0.371 3.946 1.00 0.00 C ATOM 0 H LEU A 97 -7.106 -1.008 5.426 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.830 -1.111 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.314 -2.076 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.057 -2.181 3.919 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.612 0.450 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.044 0.893 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.909 -0.458 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.602 -0.785 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.784 1.384 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.457 -0.261 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.910 0.389 5.019 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.337 -4.033 5.944 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.426 -5.419 6.372 1.00 0.00 C ATOM 1526 C TYR A 98 -8.516 -5.518 7.896 1.00 0.00 C ATOM 1527 O TYR A 98 -9.350 -6.250 8.426 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.131 -6.087 5.905 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.915 -7.491 6.475 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -6.623 -7.655 7.814 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -7.013 -8.593 5.650 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.419 -8.976 8.350 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -6.809 -9.914 6.186 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.523 -10.040 7.509 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.331 -11.288 8.016 1.00 0.00 O ATOM 0 H TYR A 98 -7.513 -3.811 5.386 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.315 -5.893 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.136 -6.145 4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.287 -5.457 6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.548 -6.793 8.460 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -7.243 -8.465 4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.189 -9.119 9.396 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.882 -10.785 5.551 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.437 -11.951 7.302 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.645 -4.770 8.558 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.616 -4.764 10.011 1.00 0.00 C ATOM 1547 C HIS A 99 -8.970 -4.298 10.550 1.00 0.00 C ATOM 1548 O HIS A 99 -9.689 -5.069 11.182 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.449 -3.919 10.527 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.864 -2.800 11.452 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.718 -2.990 12.524 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.533 -1.476 11.453 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.887 -1.827 13.136 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.152 -0.890 12.470 1.00 0.00 N ATOM 0 H HIS A 99 -6.954 -4.164 8.115 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.447 -5.776 10.379 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.747 -4.568 11.051 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.917 -3.495 9.676 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.878 -0.988 10.746 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.499 -1.652 14.008 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.089 0.098 12.714 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.276 -3.038 10.279 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.531 -2.459 10.728 1.00 0.00 C ATOM 1564 C LEU A 100 -11.672 -3.433 10.429 1.00 0.00 C ATOM 1565 O LEU A 100 -12.491 -3.723 11.301 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.731 -1.071 10.117 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.061 0.090 10.856 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.855 1.286 9.924 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.850 0.469 12.110 1.00 0.00 C ATOM 0 H LEU A 100 -8.676 -2.401 9.754 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.515 -2.306 11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.356 -1.089 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.801 -0.871 10.061 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.074 -0.237 11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.377 2.097 10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.221 0.991 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.820 1.623 9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.353 1.296 12.617 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.859 0.770 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.901 -0.389 12.781 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.691 -3.912 9.194 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.718 -4.847 8.768 1.00 0.00 C ATOM 1583 C GLY A 101 -13.508 -4.291 7.581 1.00 0.00 C ATOM 1584 O GLY A 101 -14.714 -4.070 7.682 1.00 0.00 O ATOM 0 H GLY A 101 -11.011 -3.670 8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.259 -5.796 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.396 -5.051 9.597 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.795 -4.082 6.484 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.414 -3.557 5.279 1.00 0.00 C ATOM 1590 C VAL A 102 -13.209 -4.548 4.132 1.00 0.00 C ATOM 1591 O VAL A 102 -14.149 -4.864 3.404 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.862 -2.163 4.971 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.362 -1.662 3.615 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.214 -1.175 6.085 1.00 0.00 C ATOM 0 H VAL A 102 -11.795 -4.267 6.404 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.489 -3.442 5.421 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.776 -2.237 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.955 -0.670 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.037 -2.347 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.451 -1.612 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.810 -0.193 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.298 -1.108 6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.786 -1.520 7.026 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.974 -5.010 4.005 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.634 -5.959 2.959 1.00 0.00 C ATOM 1606 C ILE A 103 -11.513 -7.359 3.565 1.00 0.00 C ATOM 1607 O ILE A 103 -11.539 -7.515 4.785 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.380 -5.504 2.210 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.262 -5.132 3.186 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.703 -4.360 1.246 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.939 -4.915 2.449 1.00 0.00 C ATOM 0 H ILE A 103 -11.196 -4.745 4.609 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.427 -6.002 2.212 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.018 -6.339 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.534 -4.226 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.144 -5.922 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.795 -4.055 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.442 -4.695 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.102 -3.514 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.162 -4.652 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.658 -5.831 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.054 -4.108 1.726 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.384 -8.341 2.685 1.00 0.00 N ATOM 1624 CA GLU A 104 -11.259 -9.722 3.119 1.00 0.00 C ATOM 1625 C GLU A 104 -9.943 -10.319 2.616 1.00 0.00 C ATOM 1626 O GLU A 104 -9.514 -10.034 1.500 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.454 -10.555 2.648 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.585 -10.512 1.124 1.00 0.00 C ATOM 1629 CD GLU A 104 -14.002 -10.113 0.707 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.323 -8.915 0.860 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.733 -11.016 0.245 1.00 0.00 O ATOM 0 H GLU A 104 -11.363 -8.208 1.674 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.251 -9.741 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.335 -11.587 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.368 -10.178 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.868 -9.801 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.341 -11.489 0.707 1.00 0.00 H new