USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 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 -45:sc= 1.07 USER MOD Set 1.2: A 27 ASN : amide:sc= -5.34! C(o=-4.3!,f=-11!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.422 K(o=-0.42,f=-3.1!) USER MOD Single : A 35 TYR OH : rot 15:sc= -2.43! USER MOD Single : A 37 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.3!) 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 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 0:sc= -5.14! 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= -0.391 X(o=-0.39,f=-0.28) USER MOD Single : A 54 HIS : no HD1:sc= -5.74! C(o=-5.7!,f=-5.5!) USER MOD Single : A 55 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.7!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.536 USER MOD Single : A 62 MET CE :methyl -170:sc= -0.673 (180deg=-1.07) USER MOD Single : A 63 THR OG1 : rot -91:sc= -0.846 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -1.3 (180deg=-1.3) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0.0618 K(o=0.062,f=-0.93) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.856 K(o=-0.86,f=-14!) 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= -1.55 K(o=-1.6,f=-4.6!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.211 USER MOD Single : A 89 CYS SG : rot 70:sc= -4.52! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.822 K(o=0.82,f=-0.31) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -5.01! C(o=-5!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.615 -10.171 1.107 1.00 0.00 N ATOM 277 CA TRP A 23 -1.734 -8.884 0.443 1.00 0.00 C ATOM 278 C TRP A 23 -0.366 -8.524 -0.140 1.00 0.00 C ATOM 279 O TRP A 23 0.665 -8.801 0.471 1.00 0.00 O ATOM 280 CB TRP A 23 -2.275 -7.821 1.401 1.00 0.00 C ATOM 281 CG TRP A 23 -3.787 -7.894 1.623 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.444 -8.032 2.782 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.809 -7.825 0.607 1.00 0.00 C ATOM 284 NE1 TRP A 23 -5.811 -8.059 2.588 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.039 -7.929 1.223 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.698 -7.681 -0.787 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.252 -7.899 0.525 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.919 -7.653 -1.471 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.166 -7.756 -0.865 1.00 0.00 C ATOM 0 HA TRP A 23 -2.456 -8.936 -0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.772 -7.923 2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.023 -6.834 1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.965 -8.112 3.747 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.522 -8.156 3.313 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.746 -7.599 -1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.202 -7.982 1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.890 -7.544 -2.545 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.064 -7.726 -1.464 1.00 0.00 H new ATOM 300 N THR A 24 -0.401 -7.912 -1.314 1.00 0.00 N ATOM 301 CA THR A 24 0.823 -7.511 -1.986 1.00 0.00 C ATOM 302 C THR A 24 0.774 -6.024 -2.342 1.00 0.00 C ATOM 303 O THR A 24 -0.305 -5.456 -2.502 1.00 0.00 O ATOM 304 CB THR A 24 1.015 -8.420 -3.202 1.00 0.00 C ATOM 305 OG1 THR A 24 0.109 -7.900 -4.171 1.00 0.00 O ATOM 306 CG2 THR A 24 0.516 -9.845 -2.952 1.00 0.00 C ATOM 0 H THR A 24 -1.258 -7.684 -1.817 1.00 0.00 H new ATOM 0 HA THR A 24 1.688 -7.629 -1.334 1.00 0.00 H new ATOM 0 HB THR A 24 2.071 -8.447 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.755 -7.716 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.675 -10.448 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.064 -10.281 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.548 -9.822 -2.715 1.00 0.00 H new ATOM 314 N LEU A 25 1.956 -5.436 -2.455 1.00 0.00 N ATOM 315 CA LEU A 25 2.062 -4.026 -2.788 1.00 0.00 C ATOM 316 C LEU A 25 1.422 -3.781 -4.157 1.00 0.00 C ATOM 317 O LEU A 25 0.766 -2.761 -4.366 1.00 0.00 O ATOM 318 CB LEU A 25 3.516 -3.561 -2.697 1.00 0.00 C ATOM 319 CG LEU A 25 3.924 -2.887 -1.385 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.351 -2.342 -1.469 1.00 0.00 C ATOM 321 CD2 LEU A 25 2.919 -1.803 -0.990 1.00 0.00 C ATOM 0 H LEU A 25 2.849 -5.911 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 25 1.513 -3.422 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.163 -4.424 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.706 -2.865 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 25 3.913 -3.640 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.616 -1.868 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.042 -3.161 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.414 -1.608 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.232 -1.340 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.874 -1.046 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.933 -2.250 -0.861 1.00 0.00 H new ATOM 333 N GLU A 26 1.636 -4.732 -5.053 1.00 0.00 N ATOM 334 CA GLU A 26 1.089 -4.632 -6.396 1.00 0.00 C ATOM 335 C GLU A 26 -0.440 -4.619 -6.346 1.00 0.00 C ATOM 336 O GLU A 26 -1.064 -3.597 -6.626 1.00 0.00 O ATOM 337 CB GLU A 26 1.599 -5.771 -7.281 1.00 0.00 C ATOM 338 CG GLU A 26 3.030 -5.502 -7.751 1.00 0.00 C ATOM 339 CD GLU A 26 3.168 -5.744 -9.255 1.00 0.00 C ATOM 340 OE1 GLU A 26 3.158 -6.933 -9.642 1.00 0.00 O ATOM 341 OE2 GLU A 26 3.282 -4.735 -9.984 1.00 0.00 O ATOM 0 H GLU A 26 2.181 -5.576 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 26 1.427 -3.694 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.565 -6.709 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.944 -5.886 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.306 -4.474 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.722 -6.148 -7.210 1.00 0.00 H new ATOM 348 N ASN A 27 -0.999 -5.765 -5.988 1.00 0.00 N ATOM 349 CA ASN A 27 -2.443 -5.898 -5.898 1.00 0.00 C ATOM 350 C ASN A 27 -3.000 -4.779 -5.015 1.00 0.00 C ATOM 351 O ASN A 27 -3.942 -4.090 -5.401 1.00 0.00 O ATOM 352 CB ASN A 27 -2.835 -7.236 -5.268 1.00 0.00 C ATOM 353 CG ASN A 27 -3.076 -7.085 -3.765 1.00 0.00 C ATOM 354 OD1 ASN A 27 -2.304 -7.540 -2.937 1.00 0.00 O ATOM 355 ND2 ASN A 27 -4.188 -6.422 -3.459 1.00 0.00 N ATOM 0 H ASN A 27 -0.478 -6.611 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.850 -5.842 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.736 -7.618 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.047 -7.969 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.438 -6.268 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.791 -6.067 -4.201 1.00 0.00 H new ATOM 362 N ALA A 28 -2.393 -4.633 -3.846 1.00 0.00 N ATOM 363 CA ALA A 28 -2.816 -3.610 -2.906 1.00 0.00 C ATOM 364 C ALA A 28 -3.194 -2.342 -3.674 1.00 0.00 C ATOM 365 O ALA A 28 -4.278 -1.794 -3.480 1.00 0.00 O ATOM 366 CB ALA A 28 -1.703 -3.363 -1.885 1.00 0.00 C ATOM 0 H ALA A 28 -1.611 -5.207 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.698 -3.937 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.020 -2.595 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.492 -4.287 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.802 -3.031 -2.402 1.00 0.00 H new ATOM 372 N LYS A 29 -2.278 -1.913 -4.531 1.00 0.00 N ATOM 373 CA LYS A 29 -2.502 -0.720 -5.329 1.00 0.00 C ATOM 374 C LYS A 29 -3.753 -0.914 -6.189 1.00 0.00 C ATOM 375 O LYS A 29 -4.750 -0.217 -6.007 1.00 0.00 O ATOM 376 CB LYS A 29 -1.249 -0.372 -6.136 1.00 0.00 C ATOM 377 CG LYS A 29 -1.558 0.681 -7.202 1.00 0.00 C ATOM 378 CD LYS A 29 -0.328 1.544 -7.493 1.00 0.00 C ATOM 379 CE LYS A 29 -0.655 3.031 -7.349 1.00 0.00 C ATOM 380 NZ LYS A 29 0.158 3.834 -8.290 1.00 0.00 N ATOM 0 H LYS A 29 -1.380 -2.370 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.687 0.140 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.473 -0.000 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.857 -1.271 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.888 0.191 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.379 1.314 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.478 1.277 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.031 1.343 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.715 3.197 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.463 3.354 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.076 4.841 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.168 3.689 -8.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.045 3.537 -9.266 1.00 0.00 H new ATOM 394 N ALA A 30 -3.659 -1.864 -7.108 1.00 0.00 N ATOM 395 CA ALA A 30 -4.770 -2.158 -7.996 1.00 0.00 C ATOM 396 C ALA A 30 -6.058 -2.261 -7.178 1.00 0.00 C ATOM 397 O ALA A 30 -6.939 -1.410 -7.290 1.00 0.00 O ATOM 398 CB ALA A 30 -4.472 -3.439 -8.779 1.00 0.00 C ATOM 0 H ALA A 30 -2.830 -2.440 -7.256 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.904 -1.356 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.306 -3.660 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.564 -3.304 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.334 -4.267 -8.083 1.00 0.00 H new ATOM 404 N ARG A 31 -6.127 -3.311 -6.372 1.00 0.00 N ATOM 405 CA ARG A 31 -7.293 -3.537 -5.535 1.00 0.00 C ATOM 406 C ARG A 31 -7.859 -2.203 -5.042 1.00 0.00 C ATOM 407 O ARG A 31 -9.034 -1.907 -5.254 1.00 0.00 O ATOM 408 CB ARG A 31 -6.945 -4.412 -4.329 1.00 0.00 C ATOM 409 CG ARG A 31 -8.194 -4.738 -3.509 1.00 0.00 C ATOM 410 CD ARG A 31 -8.888 -5.993 -4.044 1.00 0.00 C ATOM 411 NE ARG A 31 -10.219 -6.142 -3.414 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.233 -6.832 -3.955 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.074 -7.439 -5.138 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.406 -6.914 -3.311 1.00 0.00 N ATOM 0 H ARG A 31 -5.394 -4.015 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.040 -4.052 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.477 -5.336 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.217 -3.899 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.919 -4.887 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.884 -3.895 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.994 -5.926 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.278 -6.872 -3.837 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.374 -5.692 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.181 -7.376 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.846 -7.964 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.527 -6.451 -2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.178 -7.439 -3.722 1.00 0.00 H new ATOM 428 N LEU A 32 -6.996 -1.434 -4.394 1.00 0.00 N ATOM 429 CA LEU A 32 -7.395 -0.139 -3.870 1.00 0.00 C ATOM 430 C LEU A 32 -8.213 0.604 -4.927 1.00 0.00 C ATOM 431 O LEU A 32 -9.310 1.083 -4.644 1.00 0.00 O ATOM 432 CB LEU A 32 -6.173 0.639 -3.378 1.00 0.00 C ATOM 433 CG LEU A 32 -6.463 1.856 -2.496 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.333 1.470 -1.298 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.165 2.542 -2.065 1.00 0.00 C ATOM 0 H LEU A 32 -6.022 -1.683 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.038 -0.262 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.532 -0.044 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.605 0.972 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.029 2.578 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.524 2.353 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.280 1.062 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.816 0.720 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.399 3.403 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.552 1.839 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.618 2.873 -2.948 1.00 0.00 H new ATOM 447 N ASN A 33 -7.648 0.678 -6.123 1.00 0.00 N ATOM 448 CA ASN A 33 -8.312 1.355 -7.224 1.00 0.00 C ATOM 449 C ASN A 33 -9.623 0.634 -7.545 1.00 0.00 C ATOM 450 O ASN A 33 -10.611 1.270 -7.909 1.00 0.00 O ATOM 451 CB ASN A 33 -7.443 1.339 -8.484 1.00 0.00 C ATOM 452 CG ASN A 33 -6.297 2.346 -8.373 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.439 3.522 -8.668 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.157 1.822 -7.933 1.00 0.00 N ATOM 0 H ASN A 33 -6.738 0.280 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.495 2.387 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.039 0.339 -8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.055 1.574 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.333 2.413 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.107 0.829 -7.704 1.00 0.00 H new ATOM 461 N GLN A 34 -9.589 -0.682 -7.397 1.00 0.00 N ATOM 462 CA GLN A 34 -10.763 -1.495 -7.666 1.00 0.00 C ATOM 463 C GLN A 34 -11.859 -1.201 -6.641 1.00 0.00 C ATOM 464 O GLN A 34 -13.046 -1.278 -6.956 1.00 0.00 O ATOM 465 CB GLN A 34 -10.407 -2.983 -7.677 1.00 0.00 C ATOM 466 CG GLN A 34 -10.021 -3.445 -9.084 1.00 0.00 C ATOM 467 CD GLN A 34 -11.064 -4.411 -9.650 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.004 -4.811 -8.983 1.00 0.00 O ATOM 469 NE2 GLN A 34 -10.845 -4.764 -10.913 1.00 0.00 N ATOM 0 H GLN A 34 -8.767 -1.205 -7.094 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.141 -1.237 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.581 -3.168 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.256 -3.566 -7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.926 -2.581 -9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.046 -3.932 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.038 -4.392 -11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.484 -5.407 -11.381 1.00 0.00 H new ATOM 478 N TYR A 35 -11.423 -0.869 -5.434 1.00 0.00 N ATOM 479 CA TYR A 35 -12.353 -0.563 -4.361 1.00 0.00 C ATOM 480 C TYR A 35 -12.993 0.812 -4.566 1.00 0.00 C ATOM 481 O TYR A 35 -14.127 1.041 -4.147 1.00 0.00 O ATOM 482 CB TYR A 35 -11.521 -0.539 -3.077 1.00 0.00 C ATOM 483 CG TYR A 35 -12.238 0.095 -1.883 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.316 -0.545 -1.306 1.00 0.00 C ATOM 485 CD2 TYR A 35 -11.807 1.307 -1.383 1.00 0.00 C ATOM 486 CE1 TYR A 35 -13.991 0.051 -0.183 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.482 1.903 -0.259 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.541 1.246 0.286 1.00 0.00 C ATOM 489 OH TYR A 35 -14.178 1.809 1.347 1.00 0.00 O ATOM 0 H TYR A 35 -10.438 -0.805 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.155 -1.300 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.240 -1.560 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.597 0.008 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.653 -1.493 -1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -10.964 1.808 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.836 -0.440 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.155 2.851 0.142 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.748 1.139 1.779 1.00 0.00 H new ATOM 499 N PHE A 36 -12.239 1.691 -5.209 1.00 0.00 N ATOM 500 CA PHE A 36 -12.718 3.036 -5.475 1.00 0.00 C ATOM 501 C PHE A 36 -13.604 3.067 -6.722 1.00 0.00 C ATOM 502 O PHE A 36 -14.445 3.952 -6.868 1.00 0.00 O ATOM 503 CB PHE A 36 -11.486 3.910 -5.717 1.00 0.00 C ATOM 504 CG PHE A 36 -10.602 4.096 -4.482 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.163 4.134 -3.244 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.255 4.224 -4.623 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.343 4.307 -2.098 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.435 4.397 -3.476 1.00 0.00 C ATOM 509 CZ PHE A 36 -8.996 4.434 -2.238 1.00 0.00 C ATOM 0 H PHE A 36 -11.299 1.497 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.311 3.393 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.890 3.467 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.811 4.889 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.232 4.033 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.809 4.194 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.789 4.338 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.366 4.499 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.372 4.564 -1.366 1.00 0.00 H new ATOM 519 N GLN A 37 -13.384 2.090 -7.589 1.00 0.00 N ATOM 520 CA GLN A 37 -14.151 1.993 -8.819 1.00 0.00 C ATOM 521 C GLN A 37 -15.434 1.194 -8.583 1.00 0.00 C ATOM 522 O GLN A 37 -16.475 1.498 -9.163 1.00 0.00 O ATOM 523 CB GLN A 37 -13.316 1.371 -9.939 1.00 0.00 C ATOM 524 CG GLN A 37 -13.514 -0.145 -9.994 1.00 0.00 C ATOM 525 CD GLN A 37 -12.607 -0.778 -11.051 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.429 -1.010 -10.837 1.00 0.00 O ATOM 527 NE2 GLN A 37 -13.220 -1.044 -12.201 1.00 0.00 N ATOM 0 H GLN A 37 -12.685 1.358 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.426 3.000 -9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.597 1.813 -10.895 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.262 1.598 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.299 -0.579 -9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.556 -0.371 -10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.210 -0.824 -12.314 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.700 -1.468 -12.970 1.00 0.00 H new ATOM 536 N LYS A 38 -15.317 0.186 -7.730 1.00 0.00 N ATOM 537 CA LYS A 38 -16.454 -0.659 -7.410 1.00 0.00 C ATOM 538 C LYS A 38 -17.460 0.139 -6.578 1.00 0.00 C ATOM 539 O LYS A 38 -18.616 0.290 -6.973 1.00 0.00 O ATOM 540 CB LYS A 38 -15.988 -1.952 -6.736 1.00 0.00 C ATOM 541 CG LYS A 38 -15.807 -3.071 -7.764 1.00 0.00 C ATOM 542 CD LYS A 38 -17.160 -3.609 -8.233 1.00 0.00 C ATOM 543 CE LYS A 38 -17.659 -4.721 -7.307 1.00 0.00 C ATOM 544 NZ LYS A 38 -18.446 -5.716 -8.069 1.00 0.00 N ATOM 0 H LYS A 38 -14.452 -0.064 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.967 -0.968 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.047 -1.776 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.716 -2.258 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.244 -2.696 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.222 -3.880 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.888 -2.799 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.071 -3.991 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.811 -5.210 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.272 -4.294 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.777 -6.463 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.265 -5.249 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.850 -6.136 -8.810 1.00 0.00 H new ATOM 558 N GLU A 39 -16.984 0.629 -5.443 1.00 0.00 N ATOM 559 CA GLU A 39 -17.828 1.409 -4.553 1.00 0.00 C ATOM 560 C GLU A 39 -18.139 2.771 -5.174 1.00 0.00 C ATOM 561 O GLU A 39 -18.997 3.502 -4.680 1.00 0.00 O ATOM 562 CB GLU A 39 -17.174 1.569 -3.179 1.00 0.00 C ATOM 563 CG GLU A 39 -17.724 0.543 -2.187 1.00 0.00 C ATOM 564 CD GLU A 39 -19.105 0.960 -1.676 1.00 0.00 C ATOM 565 OE1 GLU A 39 -20.092 0.604 -2.354 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.141 1.625 -0.618 1.00 0.00 O ATOM 0 H GLU A 39 -16.025 0.501 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.767 0.874 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.094 1.449 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.353 2.576 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.789 -0.433 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.037 0.440 -1.347 1.00 0.00 H new ATOM 573 N LYS A 40 -17.426 3.073 -6.250 1.00 0.00 N ATOM 574 CA LYS A 40 -17.616 4.335 -6.944 1.00 0.00 C ATOM 575 C LYS A 40 -17.018 5.467 -6.106 1.00 0.00 C ATOM 576 O LYS A 40 -17.424 6.621 -6.236 1.00 0.00 O ATOM 577 CB LYS A 40 -19.092 4.539 -7.290 1.00 0.00 C ATOM 578 CG LYS A 40 -19.329 4.380 -8.794 1.00 0.00 C ATOM 579 CD LYS A 40 -18.861 5.620 -9.557 1.00 0.00 C ATOM 580 CE LYS A 40 -20.050 6.379 -10.152 1.00 0.00 C ATOM 581 NZ LYS A 40 -19.677 7.781 -10.442 1.00 0.00 N ATOM 0 H LYS A 40 -16.716 2.465 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.087 4.330 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.700 3.818 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.410 5.531 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.796 3.502 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.389 4.211 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.305 6.276 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.178 5.325 -10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.381 5.888 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.889 6.356 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.495 8.282 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.383 8.251 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.891 7.797 -11.123 1.00 0.00 H new ATOM 595 N ILE A 41 -16.063 5.098 -5.265 1.00 0.00 N ATOM 596 CA ILE A 41 -15.406 6.069 -4.407 1.00 0.00 C ATOM 597 C ILE A 41 -14.290 6.763 -5.190 1.00 0.00 C ATOM 598 O ILE A 41 -13.893 6.296 -6.257 1.00 0.00 O ATOM 599 CB ILE A 41 -14.928 5.404 -3.114 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.112 4.892 -2.291 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.036 6.350 -2.308 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.690 3.735 -1.384 1.00 0.00 C ATOM 0 H ILE A 41 -15.729 4.140 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.109 6.843 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.322 4.538 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.517 5.703 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.909 4.563 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.710 5.853 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.165 6.623 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.597 7.249 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.550 3.390 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.308 2.916 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.911 4.073 -0.701 1.00 0.00 H new ATOM 614 N GLN A 42 -13.815 7.865 -4.630 1.00 0.00 N ATOM 615 CA GLN A 42 -12.752 8.628 -5.262 1.00 0.00 C ATOM 616 C GLN A 42 -11.636 8.918 -4.257 1.00 0.00 C ATOM 617 O GLN A 42 -11.901 9.361 -3.141 1.00 0.00 O ATOM 618 CB GLN A 42 -13.293 9.924 -5.869 1.00 0.00 C ATOM 619 CG GLN A 42 -14.113 9.639 -7.129 1.00 0.00 C ATOM 620 CD GLN A 42 -13.357 10.074 -8.386 1.00 0.00 C ATOM 621 OE1 GLN A 42 -12.545 9.348 -8.935 1.00 0.00 O ATOM 622 NE2 GLN A 42 -13.668 11.296 -8.808 1.00 0.00 N ATOM 0 H GLN A 42 -14.147 8.248 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.337 8.031 -6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.913 10.442 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.465 10.589 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.339 8.574 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -15.066 10.165 -7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.357 11.851 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.217 11.679 -9.639 1.00 0.00 H new ATOM 631 N GLY A 43 -10.411 8.656 -4.689 1.00 0.00 N ATOM 632 CA GLY A 43 -9.253 8.884 -3.841 1.00 0.00 C ATOM 633 C GLY A 43 -7.965 8.908 -4.666 1.00 0.00 C ATOM 634 O GLY A 43 -7.743 8.033 -5.502 1.00 0.00 O ATOM 0 H GLY A 43 -10.195 8.288 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.367 9.829 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.191 8.100 -3.086 1.00 0.00 H new ATOM 638 N GLU A 44 -7.150 9.918 -4.402 1.00 0.00 N ATOM 639 CA GLU A 44 -5.890 10.068 -5.109 1.00 0.00 C ATOM 640 C GLU A 44 -4.722 10.055 -4.121 1.00 0.00 C ATOM 641 O GLU A 44 -4.926 10.140 -2.911 1.00 0.00 O ATOM 642 CB GLU A 44 -5.882 11.345 -5.951 1.00 0.00 C ATOM 643 CG GLU A 44 -6.343 11.062 -7.382 1.00 0.00 C ATOM 644 CD GLU A 44 -5.466 11.798 -8.397 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.083 12.947 -8.088 1.00 0.00 O ATOM 646 OE2 GLU A 44 -5.200 11.196 -9.459 1.00 0.00 O ATOM 0 H GLU A 44 -7.338 10.641 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.775 9.224 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.535 12.089 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.878 11.769 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.306 9.990 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.381 11.372 -7.501 1.00 0.00 H new ATOM 653 N TYR A 45 -3.522 9.949 -4.674 1.00 0.00 N ATOM 654 CA TYR A 45 -2.321 9.924 -3.856 1.00 0.00 C ATOM 655 C TYR A 45 -1.605 11.276 -3.893 1.00 0.00 C ATOM 656 O TYR A 45 -1.396 11.842 -4.965 1.00 0.00 O ATOM 657 CB TYR A 45 -1.412 8.861 -4.475 1.00 0.00 C ATOM 658 CG TYR A 45 -1.930 7.430 -4.317 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.851 6.927 -5.213 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.475 6.643 -3.278 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.339 5.580 -5.064 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.963 5.296 -3.130 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.871 4.831 -4.029 1.00 0.00 C ATOM 664 OH TYR A 45 -3.331 3.559 -3.889 1.00 0.00 O ATOM 0 H TYR A 45 -3.356 9.879 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.568 9.708 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.289 9.077 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.425 8.931 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.206 7.543 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.754 7.037 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.060 5.174 -5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.615 4.669 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.973 3.363 -4.603 1.00 0.00 H new ATOM 674 N LYS A 46 -1.248 11.753 -2.710 1.00 0.00 N ATOM 675 CA LYS A 46 -0.559 13.027 -2.593 1.00 0.00 C ATOM 676 C LYS A 46 0.932 12.776 -2.359 1.00 0.00 C ATOM 677 O LYS A 46 1.331 12.355 -1.274 1.00 0.00 O ATOM 678 CB LYS A 46 -1.214 13.894 -1.516 1.00 0.00 C ATOM 679 CG LYS A 46 -1.228 15.366 -1.931 1.00 0.00 C ATOM 680 CD LYS A 46 -2.652 15.836 -2.237 1.00 0.00 C ATOM 681 CE LYS A 46 -2.638 17.126 -3.060 1.00 0.00 C ATOM 682 NZ LYS A 46 -2.651 18.309 -2.171 1.00 0.00 N ATOM 0 H LYS A 46 -1.423 11.280 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.645 13.593 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.234 13.552 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.674 13.783 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.803 15.976 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.598 15.506 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.186 15.058 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.193 16.001 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.752 17.150 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.504 17.152 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.641 19.176 -2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.509 18.293 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.812 18.291 -1.557 1.00 0.00 H new ATOM 696 N TYR A 47 1.715 13.046 -3.393 1.00 0.00 N ATOM 697 CA TYR A 47 3.153 12.855 -3.313 1.00 0.00 C ATOM 698 C TYR A 47 3.850 14.132 -2.839 1.00 0.00 C ATOM 699 O TYR A 47 3.670 15.197 -3.427 1.00 0.00 O ATOM 700 CB TYR A 47 3.615 12.534 -4.735 1.00 0.00 C ATOM 701 CG TYR A 47 2.938 11.306 -5.347 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.419 10.043 -5.070 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.846 11.462 -6.177 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.781 8.887 -5.646 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.209 10.307 -6.753 1.00 0.00 C ATOM 706 CZ TYR A 47 1.708 9.076 -6.459 1.00 0.00 C ATOM 707 OH TYR A 47 1.106 7.985 -7.003 1.00 0.00 O ATOM 0 H TYR A 47 1.381 13.396 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 47 3.396 12.062 -2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.423 13.397 -5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.694 12.376 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.274 9.921 -4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.470 12.451 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.147 7.893 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.354 10.415 -7.404 1.00 0.00 H new ATOM 0 HH TYR A 47 0.353 8.271 -7.561 1.00 0.00 H new ATOM 717 N THR A 48 4.631 13.983 -1.779 1.00 0.00 N ATOM 718 CA THR A 48 5.356 15.111 -1.220 1.00 0.00 C ATOM 719 C THR A 48 6.864 14.916 -1.393 1.00 0.00 C ATOM 720 O THR A 48 7.444 13.994 -0.821 1.00 0.00 O ATOM 721 CB THR A 48 4.929 15.271 0.240 1.00 0.00 C ATOM 722 OG1 THR A 48 3.653 15.901 0.162 1.00 0.00 O ATOM 723 CG2 THR A 48 5.796 16.279 0.998 1.00 0.00 C ATOM 0 H THR A 48 4.777 13.098 -1.293 1.00 0.00 H new ATOM 0 HA THR A 48 5.117 16.034 -1.748 1.00 0.00 H new ATOM 0 HB THR A 48 4.977 14.303 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.301 16.041 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.450 16.354 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.834 15.947 0.987 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.722 17.255 0.519 1.00 0.00 H new ATOM 731 N GLN A 49 7.455 15.797 -2.186 1.00 0.00 N ATOM 732 CA GLN A 49 8.884 15.733 -2.442 1.00 0.00 C ATOM 733 C GLN A 49 9.655 16.461 -1.338 1.00 0.00 C ATOM 734 O GLN A 49 9.466 17.659 -1.131 1.00 0.00 O ATOM 735 CB GLN A 49 9.221 16.311 -3.818 1.00 0.00 C ATOM 736 CG GLN A 49 10.694 16.080 -4.164 1.00 0.00 C ATOM 737 CD GLN A 49 11.350 17.373 -4.654 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.757 18.173 -5.358 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.605 17.531 -4.243 1.00 0.00 N ATOM 0 H GLN A 49 6.970 16.559 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 49 9.187 14.686 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.589 15.848 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.004 17.379 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.224 15.709 -3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.775 15.312 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.042 16.822 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.130 18.361 -4.516 1.00 0.00 H new ATOM 748 N VAL A 50 10.506 15.707 -0.659 1.00 0.00 N ATOM 749 CA VAL A 50 11.306 16.265 0.418 1.00 0.00 C ATOM 750 C VAL A 50 12.790 16.113 0.077 1.00 0.00 C ATOM 751 O VAL A 50 13.137 15.606 -0.988 1.00 0.00 O ATOM 752 CB VAL A 50 10.927 15.607 1.746 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.541 16.063 2.208 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.996 14.082 1.642 1.00 0.00 C ATOM 0 H VAL A 50 10.659 14.714 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 50 11.106 17.331 0.530 1.00 0.00 H new ATOM 0 HB VAL A 50 11.652 15.925 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.296 15.581 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.540 17.145 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.799 15.789 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.722 13.639 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.305 13.738 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.010 13.781 1.380 1.00 0.00 H new ATOM 764 N GLY A 51 13.625 16.561 1.003 1.00 0.00 N ATOM 765 CA GLY A 51 15.064 16.481 0.814 1.00 0.00 C ATOM 766 C GLY A 51 15.477 17.105 -0.521 1.00 0.00 C ATOM 767 O GLY A 51 14.632 17.591 -1.271 1.00 0.00 O ATOM 0 H GLY A 51 13.333 16.980 1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.571 16.994 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.381 15.439 0.846 1.00 0.00 H new ATOM 771 N PRO A 52 16.811 17.069 -0.783 1.00 0.00 N ATOM 772 CA PRO A 52 17.347 17.625 -2.014 1.00 0.00 C ATOM 773 C PRO A 52 17.053 16.708 -3.203 1.00 0.00 C ATOM 774 O PRO A 52 16.846 15.508 -3.030 1.00 0.00 O ATOM 775 CB PRO A 52 18.834 17.800 -1.752 1.00 0.00 C ATOM 776 CG PRO A 52 19.155 16.910 -0.563 1.00 0.00 C ATOM 777 CD PRO A 52 17.841 16.501 0.082 1.00 0.00 C ATOM 0 HA PRO A 52 16.889 18.577 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.421 17.513 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.073 18.841 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.712 16.030 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.782 17.441 0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.751 15.417 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.762 16.887 1.098 1.00 0.00 H new ATOM 785 N ASP A 53 17.045 17.308 -4.384 1.00 0.00 N ATOM 786 CA ASP A 53 16.780 16.560 -5.602 1.00 0.00 C ATOM 787 C ASP A 53 17.753 15.383 -5.694 1.00 0.00 C ATOM 788 O ASP A 53 17.343 14.253 -5.955 1.00 0.00 O ATOM 789 CB ASP A 53 16.978 17.436 -6.840 1.00 0.00 C ATOM 790 CG ASP A 53 15.778 18.308 -7.214 1.00 0.00 C ATOM 791 OD1 ASP A 53 15.652 19.392 -6.605 1.00 0.00 O ATOM 792 OD2 ASP A 53 15.013 17.872 -8.102 1.00 0.00 O ATOM 0 H ASP A 53 17.218 18.303 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 53 15.747 16.213 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.840 18.082 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.219 16.793 -7.687 1.00 0.00 H new ATOM 797 N HIS A 54 19.024 15.689 -5.476 1.00 0.00 N ATOM 798 CA HIS A 54 20.059 14.671 -5.531 1.00 0.00 C ATOM 799 C HIS A 54 19.621 13.449 -4.721 1.00 0.00 C ATOM 800 O HIS A 54 19.753 12.315 -5.179 1.00 0.00 O ATOM 801 CB HIS A 54 21.403 15.237 -5.070 1.00 0.00 C ATOM 802 CG HIS A 54 21.739 14.927 -3.631 1.00 0.00 C ATOM 803 ND1 HIS A 54 21.571 15.843 -2.608 1.00 0.00 N ATOM 804 CD2 HIS A 54 22.234 13.794 -3.055 1.00 0.00 C ATOM 805 CE1 HIS A 54 21.951 15.277 -1.472 1.00 0.00 C ATOM 806 NE2 HIS A 54 22.363 14.007 -1.752 1.00 0.00 N ATOM 0 H HIS A 54 19.360 16.628 -5.261 1.00 0.00 H new ATOM 0 HA HIS A 54 20.201 14.348 -6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.191 14.840 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.396 16.318 -5.206 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.479 12.878 -3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.937 15.740 -0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.713 13.332 -1.072 1.00 0.00 H new ATOM 814 N ASN A 55 19.107 13.722 -3.530 1.00 0.00 N ATOM 815 CA ASN A 55 18.649 12.659 -2.651 1.00 0.00 C ATOM 816 C ASN A 55 17.341 13.086 -1.982 1.00 0.00 C ATOM 817 O ASN A 55 17.350 13.596 -0.863 1.00 0.00 O ATOM 818 CB ASN A 55 19.673 12.375 -1.550 1.00 0.00 C ATOM 819 CG ASN A 55 19.430 11.004 -0.917 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.325 10.655 -0.534 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.520 10.248 -0.828 1.00 0.00 N ATOM 0 H ASN A 55 18.998 14.664 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 55 18.508 11.761 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.680 12.414 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.614 13.149 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.462 9.315 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.415 10.601 -1.168 1.00 0.00 H new ATOM 828 N ARG A 56 16.247 12.860 -2.696 1.00 0.00 N ATOM 829 CA ARG A 56 14.934 13.214 -2.184 1.00 0.00 C ATOM 830 C ARG A 56 14.057 11.967 -2.065 1.00 0.00 C ATOM 831 O ARG A 56 14.510 10.856 -2.337 1.00 0.00 O ATOM 832 CB ARG A 56 14.243 14.229 -3.097 1.00 0.00 C ATOM 833 CG ARG A 56 14.494 13.901 -4.571 1.00 0.00 C ATOM 834 CD ARG A 56 13.340 14.394 -5.446 1.00 0.00 C ATOM 835 NE ARG A 56 13.448 13.809 -6.801 1.00 0.00 N ATOM 836 CZ ARG A 56 13.239 12.515 -7.080 1.00 0.00 C ATOM 837 NH1 ARG A 56 12.911 11.663 -6.099 1.00 0.00 N ATOM 838 NH2 ARG A 56 13.359 12.072 -8.339 1.00 0.00 N ATOM 0 H ARG A 56 16.243 12.437 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 56 15.071 13.661 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.171 14.231 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.610 15.231 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.426 14.364 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.613 12.824 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.387 14.117 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.359 15.482 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 56 13.697 14.430 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.820 11.999 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.752 10.678 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.610 12.720 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.200 11.087 -8.550 1.00 0.00 H new ATOM 852 N SER A 57 12.817 12.191 -1.656 1.00 0.00 N ATOM 853 CA SER A 57 11.872 11.099 -1.497 1.00 0.00 C ATOM 854 C SER A 57 10.441 11.640 -1.504 1.00 0.00 C ATOM 855 O SER A 57 10.084 12.473 -0.673 1.00 0.00 O ATOM 856 CB SER A 57 12.140 10.323 -0.206 1.00 0.00 C ATOM 857 OG SER A 57 13.431 10.602 0.327 1.00 0.00 O ATOM 0 H SER A 57 12.445 13.113 -1.430 1.00 0.00 H new ATOM 0 HA SER A 57 11.998 10.413 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.380 10.576 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.052 9.254 -0.401 1.00 0.00 H new ATOM 0 HG SER A 57 13.563 10.089 1.151 1.00 0.00 H new ATOM 863 N PHE A 58 9.659 11.143 -2.452 1.00 0.00 N ATOM 864 CA PHE A 58 8.274 11.566 -2.578 1.00 0.00 C ATOM 865 C PHE A 58 7.383 10.830 -1.576 1.00 0.00 C ATOM 866 O PHE A 58 7.173 9.624 -1.696 1.00 0.00 O ATOM 867 CB PHE A 58 7.826 11.213 -3.997 1.00 0.00 C ATOM 868 CG PHE A 58 8.385 12.143 -5.076 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.838 13.374 -5.262 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.429 11.739 -5.849 1.00 0.00 C ATOM 871 CE1 PHE A 58 8.356 14.237 -6.263 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.947 12.602 -6.850 1.00 0.00 C ATOM 873 CZ PHE A 58 9.400 13.833 -7.036 1.00 0.00 C ATOM 0 H PHE A 58 9.958 10.452 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 58 8.192 12.635 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.131 10.191 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.737 11.237 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.009 13.695 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.864 10.762 -5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.921 15.214 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.776 12.281 -7.464 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.794 14.490 -7.797 1.00 0.00 H new ATOM 883 N ILE A 59 6.882 11.586 -0.610 1.00 0.00 N ATOM 884 CA ILE A 59 6.018 11.021 0.412 1.00 0.00 C ATOM 885 C ILE A 59 4.594 10.906 -0.137 1.00 0.00 C ATOM 886 O ILE A 59 3.873 11.900 -0.213 1.00 0.00 O ATOM 887 CB ILE A 59 6.115 11.832 1.705 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.405 11.507 2.461 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.874 11.628 2.575 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.988 12.761 3.116 1.00 0.00 C ATOM 0 H ILE A 59 7.058 12.586 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 59 6.343 10.013 0.671 1.00 0.00 H new ATOM 0 HB ILE A 59 6.153 12.889 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.204 10.754 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.135 11.078 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.969 12.216 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.988 11.950 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.779 10.573 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.904 12.502 3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.210 13.502 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.265 13.173 3.820 1.00 0.00 H new ATOM 902 N ALA A 60 4.232 9.686 -0.504 1.00 0.00 N ATOM 903 CA ALA A 60 2.908 9.429 -1.044 1.00 0.00 C ATOM 904 C ALA A 60 1.934 9.172 0.108 1.00 0.00 C ATOM 905 O ALA A 60 2.011 8.140 0.773 1.00 0.00 O ATOM 906 CB ALA A 60 2.974 8.255 -2.023 1.00 0.00 C ATOM 0 H ALA A 60 4.833 8.864 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 60 2.545 10.295 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.980 8.063 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.657 8.498 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.332 7.367 -1.502 1.00 0.00 H new ATOM 912 N GLU A 61 1.040 10.129 0.309 1.00 0.00 N ATOM 913 CA GLU A 61 0.052 10.020 1.369 1.00 0.00 C ATOM 914 C GLU A 61 -1.359 9.989 0.779 1.00 0.00 C ATOM 915 O GLU A 61 -1.664 10.736 -0.150 1.00 0.00 O ATOM 916 CB GLU A 61 0.200 11.161 2.377 1.00 0.00 C ATOM 917 CG GLU A 61 -0.177 12.503 1.744 1.00 0.00 C ATOM 918 CD GLU A 61 0.361 13.670 2.574 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.499 13.536 3.072 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.379 14.671 2.691 1.00 0.00 O ATOM 0 H GLU A 61 0.979 10.984 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 61 0.222 9.085 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.435 10.972 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.228 11.201 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.223 12.557 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.261 12.579 1.663 1.00 0.00 H new ATOM 927 N MET A 62 -2.183 9.117 1.341 1.00 0.00 N ATOM 928 CA MET A 62 -3.555 8.979 0.882 1.00 0.00 C ATOM 929 C MET A 62 -4.505 8.745 2.057 1.00 0.00 C ATOM 930 O MET A 62 -4.162 8.044 3.008 1.00 0.00 O ATOM 931 CB MET A 62 -3.651 7.805 -0.095 1.00 0.00 C ATOM 932 CG MET A 62 -5.108 7.398 -0.321 1.00 0.00 C ATOM 933 SD MET A 62 -5.189 6.023 -1.456 1.00 0.00 S ATOM 934 CE MET A 62 -5.622 6.884 -2.958 1.00 0.00 C ATOM 0 H MET A 62 -1.927 8.499 2.111 1.00 0.00 H new ATOM 0 HA MET A 62 -3.846 9.903 0.383 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.195 8.080 -1.046 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.089 6.956 0.294 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.569 7.124 0.628 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.672 8.242 -0.718 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.887 6.160 -3.729 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.472 7.540 -2.769 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.772 7.478 -3.295 1.00 0.00 H new ATOM 944 N THR A 63 -5.682 9.344 1.954 1.00 0.00 N ATOM 945 CA THR A 63 -6.685 9.209 2.996 1.00 0.00 C ATOM 946 C THR A 63 -8.032 8.806 2.392 1.00 0.00 C ATOM 947 O THR A 63 -8.378 9.239 1.294 1.00 0.00 O ATOM 948 CB THR A 63 -6.738 10.526 3.774 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.449 10.627 4.373 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.698 10.464 4.964 1.00 0.00 C ATOM 0 H THR A 63 -5.964 9.925 1.164 1.00 0.00 H new ATOM 0 HA THR A 63 -6.426 8.412 3.693 1.00 0.00 H new ATOM 0 HB THR A 63 -7.041 11.331 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.467 10.212 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.698 11.423 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.704 10.243 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.376 9.681 5.651 1.00 0.00 H new ATOM 958 N ILE A 64 -8.755 7.981 3.136 1.00 0.00 N ATOM 959 CA ILE A 64 -10.055 7.515 2.687 1.00 0.00 C ATOM 960 C ILE A 64 -10.990 7.388 3.892 1.00 0.00 C ATOM 961 O ILE A 64 -10.535 7.179 5.016 1.00 0.00 O ATOM 962 CB ILE A 64 -9.912 6.222 1.881 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.859 5.302 2.502 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.615 6.523 0.411 1.00 0.00 C ATOM 965 CD1 ILE A 64 -9.038 3.861 2.022 1.00 0.00 C ATOM 0 H ILE A 64 -8.465 7.624 4.046 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.505 8.239 2.008 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.863 5.691 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.862 5.655 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.934 5.339 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.518 5.587 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.430 7.110 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.685 7.086 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.277 3.228 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.027 3.503 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.938 3.824 0.937 1.00 0.00 H new ATOM 977 N TYR A 65 -12.279 7.519 3.617 1.00 0.00 N ATOM 978 CA TYR A 65 -13.282 7.421 4.664 1.00 0.00 C ATOM 979 C TYR A 65 -14.227 6.245 4.410 1.00 0.00 C ATOM 980 O TYR A 65 -14.666 6.029 3.282 1.00 0.00 O ATOM 981 CB TYR A 65 -14.081 8.725 4.605 1.00 0.00 C ATOM 982 CG TYR A 65 -15.310 8.743 5.516 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.469 8.103 5.125 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.260 9.398 6.730 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.625 8.120 5.983 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.416 9.415 7.588 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.542 8.775 7.172 1.00 0.00 C ATOM 988 OH TYR A 65 -18.634 8.792 7.982 1.00 0.00 O ATOM 0 H TYR A 65 -12.652 7.692 2.684 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.811 7.263 5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.427 9.553 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.401 8.897 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.509 7.590 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.353 9.898 7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.538 7.624 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.390 9.924 8.540 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.429 9.295 8.797 1.00 0.00 H new ATOM 998 N ILE A 66 -14.514 5.517 5.479 1.00 0.00 N ATOM 999 CA ILE A 66 -15.399 4.368 5.387 1.00 0.00 C ATOM 1000 C ILE A 66 -16.692 4.663 6.150 1.00 0.00 C ATOM 1001 O ILE A 66 -16.675 4.816 7.370 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.683 3.100 5.857 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.282 3.005 5.249 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.522 1.855 5.562 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.351 2.919 3.723 1.00 0.00 C ATOM 0 H ILE A 66 -14.149 5.700 6.414 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.676 4.183 4.349 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.562 3.157 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.695 3.876 5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.769 2.128 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.990 0.968 5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.478 1.929 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.697 1.780 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.342 2.852 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.918 2.034 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.842 3.809 3.330 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.781 4.735 5.400 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.080 5.009 5.990 1.00 0.00 C ATOM 1019 C LYS A 67 -19.562 3.771 6.749 1.00 0.00 C ATOM 1020 O LYS A 67 -20.147 3.886 7.825 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.062 5.497 4.923 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.080 4.552 3.721 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.663 5.282 2.443 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.587 4.921 1.278 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.043 3.773 0.520 1.00 0.00 N ATOM 0 H LYS A 67 -17.791 4.608 4.388 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.005 5.819 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.063 5.567 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.783 6.499 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.406 3.715 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.080 4.135 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.687 6.359 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.635 5.022 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.580 4.677 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.700 5.780 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.493 3.731 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.016 3.888 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.237 2.892 1.037 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.298 2.615 6.158 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.698 1.356 6.765 1.00 0.00 C ATOM 1041 C GLN A 68 -19.006 1.175 8.117 1.00 0.00 C ATOM 1042 O GLN A 68 -19.399 0.322 8.911 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.398 0.179 5.834 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.909 0.117 5.490 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.587 -1.133 4.669 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.498 -1.102 3.453 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.419 -2.231 5.399 1.00 0.00 N ATOM 0 H GLN A 68 -18.812 2.523 5.266 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.775 1.381 6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.704 -0.753 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.982 0.276 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.624 1.008 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.320 0.116 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.508 -2.187 6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.201 -3.118 4.944 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.987 1.993 8.339 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.236 1.934 9.581 1.00 0.00 C ATOM 1058 C LEU A 69 -17.584 3.152 10.440 1.00 0.00 C ATOM 1059 O LEU A 69 -17.691 3.044 11.661 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.740 1.789 9.297 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.306 0.477 8.641 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.817 0.214 8.874 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.175 -0.688 9.118 1.00 0.00 C ATOM 0 H LEU A 69 -17.664 2.700 7.679 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.515 1.049 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.431 2.613 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.200 1.898 10.237 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.452 0.568 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.534 -0.725 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.232 1.029 8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.622 0.151 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.845 -1.609 8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.084 -0.791 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.216 -0.495 8.859 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.751 4.281 9.769 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.085 5.518 10.455 1.00 0.00 C ATOM 1077 C GLY A 70 -16.830 6.349 10.729 1.00 0.00 C ATOM 1078 O GLY A 70 -16.888 7.354 11.436 1.00 0.00 O ATOM 0 H GLY A 70 -17.661 4.366 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.784 6.096 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.588 5.292 11.395 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.724 5.899 10.154 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.457 6.588 10.328 1.00 0.00 C ATOM 1084 C ARG A 71 -13.687 6.624 9.005 1.00 0.00 C ATOM 1085 O ARG A 71 -14.215 6.235 7.965 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.597 5.902 11.391 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.151 4.515 10.924 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.723 4.554 10.376 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.850 3.665 11.175 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.246 4.031 12.314 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.418 5.270 12.796 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.472 3.158 12.973 1.00 0.00 N ATOM 0 H ARG A 71 -15.679 5.066 9.567 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.675 7.605 10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.722 6.515 11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.162 5.813 12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.206 3.812 11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.830 4.151 10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.717 4.241 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.341 5.575 10.405 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.699 2.714 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.009 5.934 12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.958 5.548 13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.342 2.214 12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.012 3.437 13.840 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.452 7.096 9.089 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.605 7.188 7.912 1.00 0.00 C ATOM 1108 C ARG A 72 -10.162 6.821 8.267 1.00 0.00 C ATOM 1109 O ARG A 72 -9.713 7.065 9.385 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.634 8.600 7.322 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.432 9.654 8.411 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.217 10.532 8.106 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.494 11.933 8.495 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.474 12.679 7.968 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -12.277 12.164 7.027 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.652 13.941 8.382 1.00 0.00 N ATOM 0 H ARG A 72 -12.018 7.419 9.954 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.990 6.488 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.854 8.698 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.587 8.769 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.324 10.276 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.298 9.164 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.346 10.162 8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.979 10.481 7.044 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.902 12.357 9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.142 11.203 6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.023 12.733 6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.041 14.334 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.398 14.509 7.981 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.477 6.241 7.293 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.095 5.838 7.488 1.00 0.00 C ATOM 1132 C ILE A 73 -7.179 6.770 6.692 1.00 0.00 C ATOM 1133 O ILE A 73 -7.622 7.427 5.751 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.914 4.358 7.144 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.037 4.126 5.637 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.890 3.488 7.939 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.594 2.710 5.262 1.00 0.00 C ATOM 0 H ILE A 73 -9.853 6.040 6.366 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.815 5.934 8.537 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.906 4.060 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.069 4.283 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.428 4.855 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.741 2.441 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.712 3.623 9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.913 3.779 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.691 2.571 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.554 2.565 5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.221 1.984 5.779 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.918 6.797 7.097 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.936 7.637 6.434 1.00 0.00 C ATOM 1151 C PHE A 74 -3.602 6.905 6.280 1.00 0.00 C ATOM 1152 O PHE A 74 -3.277 6.025 7.075 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.730 8.868 7.319 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.443 9.641 7.020 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.236 9.095 7.325 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.508 10.874 6.449 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.042 9.812 7.047 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.314 11.591 6.171 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.106 11.045 6.476 1.00 0.00 C ATOM 0 H PHE A 74 -5.554 6.250 7.877 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.289 7.906 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.581 9.538 7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.719 8.555 8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.185 8.116 7.779 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.467 11.307 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.083 9.378 7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.365 12.570 5.717 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.198 11.590 6.265 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.864 7.295 5.251 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.572 6.687 4.983 1.00 0.00 C ATOM 1171 C ALA A 75 -0.589 7.767 4.527 1.00 0.00 C ATOM 1172 O ALA A 75 -0.996 8.792 3.983 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.737 5.574 3.945 1.00 0.00 C ATOM 0 H ALA A 75 -3.136 8.025 4.593 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.167 6.233 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.768 5.118 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.422 4.817 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.139 5.993 3.023 1.00 0.00 H new ATOM 1179 N ARG A 76 0.686 7.500 4.766 1.00 0.00 N ATOM 1180 CA ARG A 76 1.731 8.437 4.387 1.00 0.00 C ATOM 1181 C ARG A 76 3.107 7.784 4.532 1.00 0.00 C ATOM 1182 O ARG A 76 3.655 7.721 5.632 1.00 0.00 O ATOM 1183 CB ARG A 76 1.679 9.699 5.251 1.00 0.00 C ATOM 1184 CG ARG A 76 2.639 10.766 4.721 1.00 0.00 C ATOM 1185 CD ARG A 76 3.786 11.008 5.705 1.00 0.00 C ATOM 1186 NE ARG A 76 3.527 12.234 6.492 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.329 12.684 7.467 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.444 12.011 7.781 1.00 0.00 N ATOM 1189 NH2 ARG A 76 4.015 13.807 8.128 1.00 0.00 N ATOM 0 H ARG A 76 1.020 6.648 5.217 1.00 0.00 H new ATOM 0 HA ARG A 76 1.565 8.716 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.663 10.093 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.938 9.450 6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.041 10.452 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.097 11.697 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.890 10.153 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.727 11.106 5.163 1.00 0.00 H new ATOM 0 HE ARG A 76 2.686 12.770 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.682 11.156 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.054 12.353 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.166 14.319 7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.625 14.150 8.870 1.00 0.00 H new ATOM 1203 N GLU A 77 3.626 7.316 3.407 1.00 0.00 N ATOM 1204 CA GLU A 77 4.928 6.671 3.394 1.00 0.00 C ATOM 1205 C GLU A 77 5.924 7.502 2.583 1.00 0.00 C ATOM 1206 O GLU A 77 5.528 8.379 1.817 1.00 0.00 O ATOM 1207 CB GLU A 77 4.828 5.246 2.847 1.00 0.00 C ATOM 1208 CG GLU A 77 4.073 4.337 3.818 1.00 0.00 C ATOM 1209 CD GLU A 77 4.962 3.931 4.995 1.00 0.00 C ATOM 1210 OE1 GLU A 77 4.991 4.704 5.977 1.00 0.00 O ATOM 1211 OE2 GLU A 77 5.594 2.858 4.885 1.00 0.00 O ATOM 0 H GLU A 77 3.168 7.371 2.497 1.00 0.00 H new ATOM 0 HA GLU A 77 5.290 6.606 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.318 5.258 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.828 4.848 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.186 4.852 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.729 3.446 3.294 1.00 0.00 H new ATOM 1218 N HIS A 78 7.199 7.196 2.780 1.00 0.00 N ATOM 1219 CA HIS A 78 8.255 7.904 2.076 1.00 0.00 C ATOM 1220 C HIS A 78 8.983 6.938 1.139 1.00 0.00 C ATOM 1221 O HIS A 78 10.180 6.701 1.294 1.00 0.00 O ATOM 1222 CB HIS A 78 9.197 8.595 3.064 1.00 0.00 C ATOM 1223 CG HIS A 78 9.331 7.881 4.388 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.631 6.534 4.486 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.203 8.342 5.665 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.679 6.209 5.769 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.412 7.330 6.499 1.00 0.00 N ATOM 0 H HIS A 78 7.524 6.468 3.416 1.00 0.00 H new ATOM 0 HA HIS A 78 7.823 8.694 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.184 8.683 2.609 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.838 9.608 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.971 9.358 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.892 5.228 6.168 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.378 7.382 7.517 1.00 0.00 H new ATOM 1235 N GLY A 79 8.230 6.407 0.187 1.00 0.00 N ATOM 1236 CA GLY A 79 8.789 5.472 -0.775 1.00 0.00 C ATOM 1237 C GLY A 79 9.886 6.136 -1.610 1.00 0.00 C ATOM 1238 O GLY A 79 9.919 7.359 -1.738 1.00 0.00 O ATOM 0 H GLY A 79 7.238 6.606 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.198 4.607 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.000 5.104 -1.431 1.00 0.00 H new ATOM 1242 N SER A 80 10.756 5.300 -2.158 1.00 0.00 N ATOM 1243 CA SER A 80 11.851 5.790 -2.978 1.00 0.00 C ATOM 1244 C SER A 80 11.301 6.468 -4.234 1.00 0.00 C ATOM 1245 O SER A 80 11.572 7.642 -4.481 1.00 0.00 O ATOM 1246 CB SER A 80 12.804 4.656 -3.360 1.00 0.00 C ATOM 1247 OG SER A 80 13.989 4.666 -2.569 1.00 0.00 O ATOM 0 H SER A 80 10.725 4.286 -2.050 1.00 0.00 H new ATOM 0 HA SER A 80 12.414 6.520 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.296 3.699 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.070 4.745 -4.413 1.00 0.00 H new ATOM 0 HG SER A 80 14.571 3.926 -2.842 1.00 0.00 H new ATOM 1253 N ASN A 81 10.538 5.698 -4.997 1.00 0.00 N ATOM 1254 CA ASN A 81 9.947 6.209 -6.222 1.00 0.00 C ATOM 1255 C ASN A 81 8.430 6.305 -6.051 1.00 0.00 C ATOM 1256 O ASN A 81 7.848 5.591 -5.236 1.00 0.00 O ATOM 1257 CB ASN A 81 10.232 5.277 -7.401 1.00 0.00 C ATOM 1258 CG ASN A 81 10.130 3.810 -6.978 1.00 0.00 C ATOM 1259 OD1 ASN A 81 9.079 3.317 -6.603 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.278 3.143 -7.058 1.00 0.00 N ATOM 0 H ASN A 81 10.316 4.724 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 81 10.382 7.188 -6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.525 5.477 -8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.229 5.477 -7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.315 2.158 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.122 3.617 -7.380 1.00 0.00 H new ATOM 1267 N LYS A 82 7.833 7.192 -6.833 1.00 0.00 N ATOM 1268 CA LYS A 82 6.395 7.390 -6.778 1.00 0.00 C ATOM 1269 C LYS A 82 5.701 6.031 -6.657 1.00 0.00 C ATOM 1270 O LYS A 82 4.815 5.855 -5.823 1.00 0.00 O ATOM 1271 CB LYS A 82 5.922 8.217 -7.975 1.00 0.00 C ATOM 1272 CG LYS A 82 5.976 9.714 -7.663 1.00 0.00 C ATOM 1273 CD LYS A 82 5.332 10.532 -8.785 1.00 0.00 C ATOM 1274 CE LYS A 82 5.033 11.959 -8.321 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.808 12.935 -9.119 1.00 0.00 N ATOM 0 H LYS A 82 8.319 7.782 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 82 6.124 7.967 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.547 8.000 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.903 7.933 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.462 9.912 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.012 10.024 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.997 10.558 -9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.409 10.050 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.967 12.164 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.282 12.064 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.594 13.899 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.825 12.748 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.551 12.845 -10.123 1.00 0.00 H new ATOM 1289 N LYS A 83 6.132 5.106 -7.501 1.00 0.00 N ATOM 1290 CA LYS A 83 5.564 3.768 -7.499 1.00 0.00 C ATOM 1291 C LYS A 83 5.591 3.210 -6.075 1.00 0.00 C ATOM 1292 O LYS A 83 4.542 2.949 -5.487 1.00 0.00 O ATOM 1293 CB LYS A 83 6.277 2.882 -8.522 1.00 0.00 C ATOM 1294 CG LYS A 83 5.548 1.548 -8.694 1.00 0.00 C ATOM 1295 CD LYS A 83 6.203 0.702 -9.787 1.00 0.00 C ATOM 1296 CE LYS A 83 5.192 -0.256 -10.420 1.00 0.00 C ATOM 1297 NZ LYS A 83 5.452 -0.402 -11.869 1.00 0.00 N ATOM 0 H LYS A 83 6.868 5.256 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 83 4.520 3.796 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.330 3.398 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.303 2.701 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.557 1.001 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.504 1.730 -8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.621 1.354 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.032 0.134 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.252 -1.230 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.180 0.118 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.757 -1.056 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.372 0.526 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.410 -0.779 -12.013 1.00 0.00 H new ATOM 1311 N LEU A 84 6.801 3.042 -5.562 1.00 0.00 N ATOM 1312 CA LEU A 84 6.978 2.519 -4.219 1.00 0.00 C ATOM 1313 C LEU A 84 6.058 3.273 -3.257 1.00 0.00 C ATOM 1314 O LEU A 84 5.104 2.704 -2.730 1.00 0.00 O ATOM 1315 CB LEU A 84 8.454 2.561 -3.818 1.00 0.00 C ATOM 1316 CG LEU A 84 9.324 1.416 -4.340 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.763 1.547 -3.838 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.715 0.058 -3.985 1.00 0.00 C ATOM 0 H LEU A 84 7.668 3.259 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 84 6.690 1.469 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.878 3.502 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.514 2.570 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 84 9.355 1.481 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.360 0.720 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.184 2.491 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.772 1.523 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.353 -0.738 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.633 -0.032 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.724 -0.025 -4.432 1.00 0.00 H new ATOM 1330 N ALA A 85 6.377 4.544 -3.057 1.00 0.00 N ATOM 1331 CA ALA A 85 5.591 5.382 -2.168 1.00 0.00 C ATOM 1332 C ALA A 85 4.114 5.004 -2.291 1.00 0.00 C ATOM 1333 O ALA A 85 3.489 4.597 -1.313 1.00 0.00 O ATOM 1334 CB ALA A 85 5.846 6.854 -2.496 1.00 0.00 C ATOM 0 H ALA A 85 7.169 5.013 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 85 5.886 5.224 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.256 7.483 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.905 7.078 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.559 7.052 -3.529 1.00 0.00 H new ATOM 1340 N ALA A 86 3.598 5.151 -3.503 1.00 0.00 N ATOM 1341 CA ALA A 86 2.205 4.831 -3.767 1.00 0.00 C ATOM 1342 C ALA A 86 1.890 3.443 -3.204 1.00 0.00 C ATOM 1343 O ALA A 86 0.975 3.289 -2.398 1.00 0.00 O ATOM 1344 CB ALA A 86 1.936 4.926 -5.270 1.00 0.00 C ATOM 0 H ALA A 86 4.119 5.487 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 86 1.546 5.545 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.891 4.686 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.148 5.938 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.577 4.221 -5.800 1.00 0.00 H new ATOM 1350 N GLN A 87 2.668 2.468 -3.653 1.00 0.00 N ATOM 1351 CA GLN A 87 2.483 1.098 -3.204 1.00 0.00 C ATOM 1352 C GLN A 87 2.274 1.059 -1.689 1.00 0.00 C ATOM 1353 O GLN A 87 1.181 0.749 -1.218 1.00 0.00 O ATOM 1354 CB GLN A 87 3.668 0.222 -3.617 1.00 0.00 C ATOM 1355 CG GLN A 87 3.786 0.142 -5.140 1.00 0.00 C ATOM 1356 CD GLN A 87 3.645 -1.302 -5.626 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.591 -1.737 -6.061 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.761 -2.017 -5.529 1.00 0.00 N ATOM 0 H GLN A 87 3.427 2.599 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 87 1.591 0.696 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.589 0.628 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.545 -0.780 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.017 0.761 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.749 0.543 -5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.609 -1.591 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.770 -2.992 -5.828 1.00 0.00 H new ATOM 1367 N SER A 88 3.339 1.378 -0.968 1.00 0.00 N ATOM 1368 CA SER A 88 3.285 1.384 0.484 1.00 0.00 C ATOM 1369 C SER A 88 1.957 1.978 0.956 1.00 0.00 C ATOM 1370 O SER A 88 1.228 1.347 1.720 1.00 0.00 O ATOM 1371 CB SER A 88 4.458 2.169 1.075 1.00 0.00 C ATOM 1372 OG SER A 88 4.920 1.599 2.297 1.00 0.00 O ATOM 0 H SER A 88 4.244 1.634 -1.362 1.00 0.00 H new ATOM 0 HA SER A 88 3.359 0.354 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.276 2.195 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.153 3.201 1.249 1.00 0.00 H new ATOM 0 HG SER A 88 5.670 2.128 2.642 1.00 0.00 H new ATOM 1378 N CYS A 89 1.683 3.184 0.483 1.00 0.00 N ATOM 1379 CA CYS A 89 0.455 3.870 0.848 1.00 0.00 C ATOM 1380 C CYS A 89 -0.715 2.908 0.635 1.00 0.00 C ATOM 1381 O CYS A 89 -1.390 2.525 1.589 1.00 0.00 O ATOM 1382 CB CYS A 89 0.277 5.169 0.058 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.664 6.382 1.053 1.00 0.00 S ATOM 0 H CYS A 89 2.290 3.704 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 89 0.497 4.162 1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.251 5.580 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.247 4.967 -0.876 1.00 0.00 H new ATOM 0 HG CYS A 89 0.070 6.793 2.044 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.919 2.544 -0.623 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.995 1.633 -0.973 1.00 0.00 C ATOM 1391 C ALA A 90 -2.101 0.541 0.094 1.00 0.00 C ATOM 1392 O ALA A 90 -3.044 0.528 0.883 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.746 1.061 -2.370 1.00 0.00 C ATOM 0 H ALA A 90 -0.357 2.864 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.949 2.159 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.553 0.377 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.709 1.874 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.798 0.523 -2.379 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.119 -0.349 0.083 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.090 -1.443 1.039 1.00 0.00 C ATOM 1401 C LEU A 91 -1.454 -0.911 2.427 1.00 0.00 C ATOM 1402 O LEU A 91 -2.144 -1.582 3.192 1.00 0.00 O ATOM 1403 CB LEU A 91 0.260 -2.161 0.991 1.00 0.00 C ATOM 1404 CG LEU A 91 0.428 -3.339 1.952 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.519 -4.485 1.587 1.00 0.00 C ATOM 1406 CD2 LEU A 91 1.886 -3.797 2.009 1.00 0.00 C ATOM 0 H LEU A 91 -0.338 -0.335 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.835 -2.195 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.422 -2.521 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.044 -1.433 1.200 1.00 0.00 H new ATOM 0 HG LEU A 91 0.157 -3.004 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.379 -5.310 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.550 -4.136 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.303 -4.827 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.977 -4.635 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.209 -4.108 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.513 -2.974 2.353 1.00 0.00 H new ATOM 1418 N SER A 92 -0.974 0.291 2.709 1.00 0.00 N ATOM 1419 CA SER A 92 -1.240 0.922 3.991 1.00 0.00 C ATOM 1420 C SER A 92 -2.748 1.000 4.232 1.00 0.00 C ATOM 1421 O SER A 92 -3.225 0.671 5.317 1.00 0.00 O ATOM 1422 CB SER A 92 -0.618 2.318 4.058 1.00 0.00 C ATOM 1423 OG SER A 92 -0.207 2.656 5.380 1.00 0.00 O ATOM 0 H SER A 92 -0.402 0.845 2.072 1.00 0.00 H new ATOM 0 HA SER A 92 -0.785 0.314 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.241 2.365 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.340 3.054 3.703 1.00 0.00 H new ATOM 0 HG SER A 92 0.186 3.554 5.381 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.458 1.439 3.203 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.903 1.565 3.289 1.00 0.00 C ATOM 1431 C LEU A 93 -5.538 0.175 3.210 1.00 0.00 C ATOM 1432 O LEU A 93 -6.434 -0.147 3.989 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.420 2.539 2.228 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.857 3.960 2.291 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.726 4.435 3.739 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.531 4.058 1.534 1.00 0.00 C ATOM 0 H LEU A 93 -3.059 1.712 2.305 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.191 1.993 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.198 2.125 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.505 2.595 2.313 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.561 4.628 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.324 5.448 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.707 4.427 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.054 3.769 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.152 5.078 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.807 3.375 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.688 3.790 0.489 1.00 0.00 H new ATOM 1448 N VAL A 94 -5.048 -0.611 2.263 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.556 -1.959 2.073 1.00 0.00 C ATOM 1450 C VAL A 94 -5.540 -2.699 3.411 1.00 0.00 C ATOM 1451 O VAL A 94 -6.562 -3.231 3.843 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.750 -2.673 0.985 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.285 -4.086 0.745 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.742 -1.862 -0.312 1.00 0.00 C ATOM 0 H VAL A 94 -4.305 -0.340 1.619 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.590 -1.933 1.729 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.720 -2.759 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.695 -4.571 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.215 -4.663 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.327 -4.032 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.163 -2.391 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.765 -1.730 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.293 -0.886 -0.128 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.369 -2.710 4.032 1.00 0.00 N ATOM 1465 CA ARG A 95 -4.207 -3.377 5.313 1.00 0.00 C ATOM 1466 C ARG A 95 -5.236 -2.853 6.317 1.00 0.00 C ATOM 1467 O ARG A 95 -6.049 -3.618 6.834 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.800 -3.158 5.873 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.856 -4.280 5.436 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.443 -3.745 5.197 1.00 0.00 C ATOM 1471 NE ARG A 95 0.332 -3.781 6.457 1.00 0.00 N ATOM 1472 CZ ARG A 95 0.858 -4.895 6.984 1.00 0.00 C ATOM 1473 NH1 ARG A 95 0.695 -6.071 6.364 1.00 0.00 N ATOM 1474 NH2 ARG A 95 1.546 -4.833 8.132 1.00 0.00 N ATOM 0 H ARG A 95 -3.524 -2.268 3.672 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.360 -4.444 5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.413 -2.198 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.840 -3.115 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.830 -5.057 6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.233 -4.743 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.057 -4.343 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.491 -2.724 4.819 1.00 0.00 H new ATOM 0 HE ARG A 95 0.475 -2.903 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.170 -6.119 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.095 -6.919 6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.669 -3.938 8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.946 -5.681 8.533 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.167 -1.553 6.563 1.00 0.00 N ATOM 1489 CA GLN A 96 -6.082 -0.919 7.497 1.00 0.00 C ATOM 1490 C GLN A 96 -7.522 -1.344 7.200 1.00 0.00 C ATOM 1491 O GLN A 96 -8.307 -1.572 8.119 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.940 0.604 7.455 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.927 1.089 8.494 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.438 2.501 8.165 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.504 3.412 8.973 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.944 2.630 6.937 1.00 0.00 N ATOM 0 H GLN A 96 -4.492 -0.922 6.132 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.827 -1.247 8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.623 0.916 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.908 1.068 7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.383 1.080 9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.079 0.405 8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.918 1.825 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.591 3.533 6.622 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.824 -1.436 5.914 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.156 -1.829 5.484 1.00 0.00 C ATOM 1507 C LEU A 97 -9.445 -3.250 5.972 1.00 0.00 C ATOM 1508 O LEU A 97 -10.463 -3.493 6.619 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.304 -1.656 3.971 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.366 -0.214 3.464 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -9.010 -0.140 1.978 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.731 0.412 3.758 1.00 0.00 C ATOM 0 H LEU A 97 -7.170 -1.245 5.155 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.908 -1.178 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.466 -2.156 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.210 -2.171 3.653 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.621 0.370 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.062 0.896 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.000 -0.521 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.714 -0.743 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.749 1.437 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.511 -0.166 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.907 0.412 4.834 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.532 -4.152 5.643 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.677 -5.542 6.040 1.00 0.00 C ATOM 1526 C TYR A 98 -8.819 -5.667 7.558 1.00 0.00 C ATOM 1527 O TYR A 98 -9.827 -6.171 8.052 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.389 -6.242 5.601 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.098 -7.540 6.356 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -8.023 -8.564 6.352 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.909 -7.687 7.042 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.748 -9.785 7.064 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.634 -8.908 7.754 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.568 -9.897 7.729 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.308 -11.051 8.401 1.00 0.00 O ATOM 0 H TYR A 98 -7.689 -3.947 5.106 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.567 -5.980 5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.451 -6.460 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.551 -5.558 5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.953 -8.450 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.185 -6.886 7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.464 -10.594 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.708 -9.036 8.295 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.428 -10.990 8.828 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.794 -5.200 8.257 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.792 -5.254 9.709 1.00 0.00 C ATOM 1547 C HIS A 99 -9.162 -4.827 10.240 1.00 0.00 C ATOM 1548 O HIS A 99 -9.849 -5.609 10.896 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.647 -4.416 10.281 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.100 -3.290 11.179 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.957 -3.481 12.248 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.804 -1.958 11.156 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.163 -2.311 12.835 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.448 -1.368 12.156 1.00 0.00 N ATOM 0 H HIS A 99 -6.960 -4.783 7.844 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.616 -6.278 10.039 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.978 -5.068 10.842 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.068 -3.999 9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.156 -1.467 10.445 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.787 -2.135 13.699 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.414 -0.373 12.380 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.519 -3.588 9.937 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.794 -3.048 10.376 1.00 0.00 C ATOM 1564 C LEU A 100 -11.908 -4.039 10.033 1.00 0.00 C ATOM 1565 O LEU A 100 -12.715 -4.392 10.892 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.014 -1.651 9.792 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.262 -0.510 10.481 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.951 0.616 9.493 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.032 -0.005 11.702 1.00 0.00 C ATOM 0 H LEU A 100 -8.947 -2.942 9.392 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.801 -2.921 11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.724 -1.668 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.081 -1.429 9.825 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.308 -0.896 10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.416 1.414 10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.333 0.229 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.882 1.008 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.476 0.805 12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.010 0.360 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.159 -0.820 12.415 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.916 -4.461 8.777 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.917 -5.405 8.311 1.00 0.00 C ATOM 1583 C GLY A 101 -13.684 -4.843 7.112 1.00 0.00 C ATOM 1584 O GLY A 101 -14.914 -4.847 7.100 1.00 0.00 O ATOM 0 H GLY A 101 -11.245 -4.166 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.436 -6.343 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.613 -5.631 9.119 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.926 -4.374 6.132 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.519 -3.810 4.932 1.00 0.00 C ATOM 1590 C VAL A 102 -13.194 -4.709 3.737 1.00 0.00 C ATOM 1591 O VAL A 102 -14.007 -4.855 2.826 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.044 -2.368 4.741 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.615 -1.768 3.455 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.404 -1.508 5.954 1.00 0.00 C ATOM 0 H VAL A 102 -11.906 -4.373 6.145 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.604 -3.771 5.025 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.958 -2.382 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.262 -0.743 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.287 -2.360 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.704 -1.773 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.055 -0.488 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.486 -1.505 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.928 -1.918 6.845 1.00 0.00 H new ATOM 1604 N ILE A 103 -12.002 -5.288 3.780 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.560 -6.168 2.712 1.00 0.00 C ATOM 1606 C ILE A 103 -11.227 -7.543 3.296 1.00 0.00 C ATOM 1607 O ILE A 103 -11.118 -7.695 4.511 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.403 -5.533 1.938 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.321 -5.021 2.891 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.909 -4.434 1.001 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -8.049 -4.649 2.127 1.00 0.00 C ATOM 0 H ILE A 103 -11.330 -5.165 4.537 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.358 -6.314 1.984 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.945 -6.302 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.691 -4.151 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.093 -5.786 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.067 -3.999 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.614 -4.860 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.406 -3.659 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.296 -4.288 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.668 -5.527 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.275 -3.866 1.403 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.076 -8.509 2.402 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.759 -9.866 2.813 1.00 0.00 C ATOM 1625 C GLU A 104 -9.399 -10.287 2.250 1.00 0.00 C ATOM 1626 O GLU A 104 -9.068 -9.963 1.111 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.856 -10.841 2.381 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.145 -10.714 0.884 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.568 -10.205 0.642 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.959 -9.253 1.352 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.232 -10.780 -0.247 1.00 0.00 O ATOM 0 H GLU A 104 -11.167 -8.379 1.394 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.704 -9.891 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.551 -11.862 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.766 -10.645 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.428 -10.031 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.014 -11.682 0.401 1.00 0.00 H new