USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 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 -103:sc= 1.08 USER MOD Set 1.2: A 27 ASN : amide:sc= -0.299 K(o=0.79,f=-11!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0165 K(o=-0.016,f=-0.53) USER MOD Single : A 34 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.21) USER MOD Single : A 35 TYR OH : rot 0:sc= -2.82! USER MOD Single : A 37 GLN : amide:sc= -1.24 K(o=-1.2,f=-5!) 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= -0.072 K(o=-0.072,f=-1.2) USER MOD Single : A 45 TYR OH : rot 4:sc= -5.39! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -61:sc= -2.78! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.05 X(o=-1,f=-0.82) USER MOD Single : A 54 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-4.8!) USER MOD Single : A 55 ASN : amide:sc=-0.00889 X(o=-0.0089,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.235 USER MOD Single : A 62 MET CE :methyl -167:sc= -2.52 (180deg=-3.51) USER MOD Single : A 63 THR OG1 : rot 140:sc= -0.615 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -121:sc= 0.937 (180deg=-1.04) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.0614 K(o=0.061,f=-0.88) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.51) 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= -1.05 K(o=-1,f=-4.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 73:sc= -6.46! USER MOD Single : A 92 SER OG : rot -23:sc= -2.27 USER MOD Single : A 96 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.022) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -4.99! C(o=-5!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.527 -9.876 0.709 1.00 0.00 N ATOM 277 CA TRP A 23 -1.722 -8.556 0.134 1.00 0.00 C ATOM 278 C TRP A 23 -0.344 -7.944 -0.122 1.00 0.00 C ATOM 279 O TRP A 23 0.351 -7.556 0.815 1.00 0.00 O ATOM 280 CB TRP A 23 -2.603 -7.690 1.036 1.00 0.00 C ATOM 281 CG TRP A 23 -4.103 -7.934 0.862 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.979 -8.376 1.775 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.873 -7.731 -0.342 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.251 -8.472 1.250 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.185 -8.068 -0.078 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.474 -7.278 -1.612 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.205 -7.987 -1.034 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.505 -7.203 -2.556 1.00 0.00 C ATOM 289 CH2 TRP A 23 -6.830 -7.538 -2.306 1.00 0.00 C ATOM 0 HA TRP A 23 -2.255 -8.623 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.334 -7.876 2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.390 -6.640 0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.721 -8.626 2.794 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.087 -8.783 1.746 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.453 -7.009 -1.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.225 -8.256 -0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.253 -6.861 -3.549 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.568 -7.452 -3.090 1.00 0.00 H new ATOM 300 N THR A 24 0.010 -7.875 -1.397 1.00 0.00 N ATOM 301 CA THR A 24 1.293 -7.316 -1.789 1.00 0.00 C ATOM 302 C THR A 24 1.115 -5.893 -2.321 1.00 0.00 C ATOM 303 O THR A 24 0.058 -5.552 -2.850 1.00 0.00 O ATOM 304 CB THR A 24 1.934 -8.268 -2.801 1.00 0.00 C ATOM 305 OG1 THR A 24 1.282 -7.958 -4.030 1.00 0.00 O ATOM 306 CG2 THR A 24 1.568 -9.730 -2.544 1.00 0.00 C ATOM 0 H THR A 24 -0.569 -8.197 -2.172 1.00 0.00 H new ATOM 0 HA THR A 24 1.964 -7.228 -0.934 1.00 0.00 H new ATOM 0 HB THR A 24 3.018 -8.155 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.610 -8.644 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.049 -10.362 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.907 -10.021 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.487 -9.851 -2.609 1.00 0.00 H new ATOM 314 N LEU A 25 2.164 -5.100 -2.162 1.00 0.00 N ATOM 315 CA LEU A 25 2.137 -3.721 -2.620 1.00 0.00 C ATOM 316 C LEU A 25 1.364 -3.642 -3.938 1.00 0.00 C ATOM 317 O LEU A 25 0.488 -2.793 -4.098 1.00 0.00 O ATOM 318 CB LEU A 25 3.556 -3.156 -2.704 1.00 0.00 C ATOM 319 CG LEU A 25 4.049 -2.396 -1.472 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.447 -1.820 -1.706 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.048 -1.317 -1.055 1.00 0.00 C ATOM 0 H LEU A 25 3.039 -5.386 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 25 1.611 -3.091 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.243 -3.980 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.610 -2.488 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 25 4.125 -3.101 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.774 -1.285 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.144 -2.631 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.421 -1.134 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.424 -0.792 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.916 -0.608 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.090 -1.781 -0.819 1.00 0.00 H new ATOM 333 N GLU A 26 1.716 -4.537 -4.849 1.00 0.00 N ATOM 334 CA GLU A 26 1.067 -4.579 -6.148 1.00 0.00 C ATOM 335 C GLU A 26 -0.446 -4.733 -5.981 1.00 0.00 C ATOM 336 O GLU A 26 -1.210 -3.850 -6.368 1.00 0.00 O ATOM 337 CB GLU A 26 1.640 -5.704 -7.012 1.00 0.00 C ATOM 338 CG GLU A 26 2.809 -5.202 -7.862 1.00 0.00 C ATOM 339 CD GLU A 26 2.769 -5.814 -9.264 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.671 -5.797 -9.860 1.00 0.00 O ATOM 341 OE2 GLU A 26 3.839 -6.284 -9.708 1.00 0.00 O ATOM 0 H GLU A 26 2.443 -5.239 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 26 1.263 -3.637 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.974 -6.522 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.860 -6.103 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.770 -4.115 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.752 -5.456 -7.377 1.00 0.00 H new ATOM 348 N ASN A 27 -0.834 -5.860 -5.403 1.00 0.00 N ATOM 349 CA ASN A 27 -2.242 -6.141 -5.179 1.00 0.00 C ATOM 350 C ASN A 27 -2.895 -4.937 -4.498 1.00 0.00 C ATOM 351 O ASN A 27 -3.814 -4.331 -5.048 1.00 0.00 O ATOM 352 CB ASN A 27 -2.423 -7.356 -4.268 1.00 0.00 C ATOM 353 CG ASN A 27 -1.716 -8.584 -4.844 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.821 -9.156 -4.244 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.167 -8.957 -6.039 1.00 0.00 N ATOM 0 H ASN A 27 -0.197 -6.590 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.704 -6.344 -6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.026 -7.135 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.485 -7.568 -4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.760 -9.766 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.920 -8.434 -6.486 1.00 0.00 H new ATOM 362 N ALA A 28 -2.396 -4.626 -3.311 1.00 0.00 N ATOM 363 CA ALA A 28 -2.920 -3.506 -2.548 1.00 0.00 C ATOM 364 C ALA A 28 -3.310 -2.379 -3.508 1.00 0.00 C ATOM 365 O ALA A 28 -4.486 -2.043 -3.631 1.00 0.00 O ATOM 366 CB ALA A 28 -1.882 -3.060 -1.517 1.00 0.00 C ATOM 0 H ALA A 28 -1.634 -5.131 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.816 -3.800 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.275 -2.220 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.661 -3.887 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.969 -2.755 -2.028 1.00 0.00 H new ATOM 372 N LYS A 29 -2.299 -1.827 -4.163 1.00 0.00 N ATOM 373 CA LYS A 29 -2.521 -0.746 -5.107 1.00 0.00 C ATOM 374 C LYS A 29 -3.790 -1.030 -5.912 1.00 0.00 C ATOM 375 O LYS A 29 -4.821 -0.395 -5.697 1.00 0.00 O ATOM 376 CB LYS A 29 -1.279 -0.528 -5.974 1.00 0.00 C ATOM 377 CG LYS A 29 -1.606 0.336 -7.194 1.00 0.00 C ATOM 378 CD LYS A 29 -0.509 1.374 -7.440 1.00 0.00 C ATOM 379 CE LYS A 29 -0.985 2.776 -7.051 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.598 3.760 -8.087 1.00 0.00 N ATOM 0 H LYS A 29 -1.324 -2.108 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.682 0.194 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.498 -0.049 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.886 -1.491 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.716 -0.298 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.561 0.839 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.379 1.114 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.221 1.362 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.068 2.777 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.553 3.060 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.928 4.706 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.437 3.770 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.031 3.496 -8.995 1.00 0.00 H new ATOM 394 N ALA A 30 -3.674 -1.985 -6.823 1.00 0.00 N ATOM 395 CA ALA A 30 -4.800 -2.361 -7.662 1.00 0.00 C ATOM 396 C ALA A 30 -6.070 -2.410 -6.810 1.00 0.00 C ATOM 397 O ALA A 30 -7.003 -1.641 -7.036 1.00 0.00 O ATOM 398 CB ALA A 30 -4.504 -3.697 -8.345 1.00 0.00 C ATOM 0 H ALA A 30 -2.817 -2.510 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.958 -1.622 -8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.348 -3.979 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.609 -3.601 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.343 -4.465 -7.588 1.00 0.00 H new ATOM 404 N ARG A 31 -6.065 -3.322 -5.849 1.00 0.00 N ATOM 405 CA ARG A 31 -7.205 -3.481 -4.963 1.00 0.00 C ATOM 406 C ARG A 31 -7.843 -2.122 -4.668 1.00 0.00 C ATOM 407 O ARG A 31 -9.010 -1.898 -4.984 1.00 0.00 O ATOM 408 CB ARG A 31 -6.791 -4.139 -3.645 1.00 0.00 C ATOM 409 CG ARG A 31 -8.017 -4.549 -2.827 1.00 0.00 C ATOM 410 CD ARG A 31 -9.077 -5.202 -3.718 1.00 0.00 C ATOM 411 NE ARG A 31 -10.128 -5.822 -2.882 1.00 0.00 N ATOM 412 CZ ARG A 31 -10.975 -6.765 -3.317 1.00 0.00 C ATOM 413 NH1 ARG A 31 -10.899 -7.202 -4.581 1.00 0.00 N ATOM 414 NH2 ARG A 31 -11.898 -7.271 -2.487 1.00 0.00 N ATOM 0 H ARG A 31 -5.289 -3.958 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.928 -4.124 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.176 -5.016 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.178 -3.448 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.719 -5.243 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.440 -3.673 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.519 -4.456 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.615 -5.957 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.213 -5.512 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.196 -6.817 -5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.544 -7.920 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.956 -6.938 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.543 -7.989 -2.818 1.00 0.00 H new ATOM 428 N LEU A 32 -7.048 -1.249 -4.066 1.00 0.00 N ATOM 429 CA LEU A 32 -7.520 0.082 -3.725 1.00 0.00 C ATOM 430 C LEU A 32 -8.278 0.670 -4.917 1.00 0.00 C ATOM 431 O LEU A 32 -9.459 0.996 -4.806 1.00 0.00 O ATOM 432 CB LEU A 32 -6.359 0.955 -3.244 1.00 0.00 C ATOM 433 CG LEU A 32 -6.746 2.244 -2.517 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.535 1.940 -1.242 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.514 3.107 -2.236 1.00 0.00 C ATOM 0 H LEU A 32 -6.080 -1.438 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.221 0.036 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.734 0.359 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.746 1.218 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.401 2.820 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.797 2.874 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.445 1.397 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.926 1.332 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.818 4.017 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.815 2.551 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.031 3.369 -3.177 1.00 0.00 H new ATOM 447 N ASN A 33 -7.569 0.787 -6.030 1.00 0.00 N ATOM 448 CA ASN A 33 -8.161 1.330 -7.241 1.00 0.00 C ATOM 449 C ASN A 33 -9.432 0.548 -7.577 1.00 0.00 C ATOM 450 O ASN A 33 -10.367 1.096 -8.158 1.00 0.00 O ATOM 451 CB ASN A 33 -7.201 1.206 -8.426 1.00 0.00 C ATOM 452 CG ASN A 33 -6.387 2.488 -8.609 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.162 3.248 -7.682 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.958 2.684 -9.853 1.00 0.00 N ATOM 0 H ASN A 33 -6.590 0.515 -6.119 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.383 2.383 -7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.528 0.363 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.765 0.996 -9.335 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.405 3.511 -10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.182 2.007 -10.582 1.00 0.00 H new ATOM 461 N GLN A 34 -9.425 -0.721 -7.197 1.00 0.00 N ATOM 462 CA GLN A 34 -10.566 -1.584 -7.451 1.00 0.00 C ATOM 463 C GLN A 34 -11.712 -1.245 -6.495 1.00 0.00 C ATOM 464 O GLN A 34 -12.881 -1.400 -6.842 1.00 0.00 O ATOM 465 CB GLN A 34 -10.175 -3.059 -7.336 1.00 0.00 C ATOM 466 CG GLN A 34 -9.988 -3.686 -8.719 1.00 0.00 C ATOM 467 CD GLN A 34 -11.285 -4.336 -9.206 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.349 -3.739 -9.201 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.137 -5.589 -9.626 1.00 0.00 N ATOM 0 H GLN A 34 -8.647 -1.172 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.907 -1.411 -8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.252 -3.151 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.945 -3.601 -6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.671 -2.922 -9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.195 -4.433 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.217 -6.029 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.943 -6.110 -9.971 1.00 0.00 H new ATOM 478 N TYR A 35 -11.335 -0.789 -5.310 1.00 0.00 N ATOM 479 CA TYR A 35 -12.316 -0.426 -4.301 1.00 0.00 C ATOM 480 C TYR A 35 -12.945 0.934 -4.611 1.00 0.00 C ATOM 481 O TYR A 35 -14.098 1.183 -4.262 1.00 0.00 O ATOM 482 CB TYR A 35 -11.549 -0.330 -2.981 1.00 0.00 C ATOM 483 CG TYR A 35 -12.358 0.277 -1.833 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.363 -0.454 -1.235 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.081 1.557 -1.396 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.125 0.118 -0.155 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.843 2.129 -0.316 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.827 1.381 0.251 1.00 0.00 C ATOM 489 OH TYR A 35 -14.546 1.921 1.271 1.00 0.00 O ATOM 0 H TYR A 35 -10.364 -0.662 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.119 -1.162 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.219 -1.328 -2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.652 0.270 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.579 -1.456 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.293 2.129 -1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.915 -0.443 0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.638 3.129 0.036 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.215 1.274 1.578 1.00 0.00 H new ATOM 499 N PHE A 36 -12.160 1.778 -5.265 1.00 0.00 N ATOM 500 CA PHE A 36 -12.625 3.106 -5.626 1.00 0.00 C ATOM 501 C PHE A 36 -13.460 3.064 -6.908 1.00 0.00 C ATOM 502 O PHE A 36 -14.305 3.930 -7.131 1.00 0.00 O ATOM 503 CB PHE A 36 -11.382 3.965 -5.868 1.00 0.00 C ATOM 504 CG PHE A 36 -10.540 4.208 -4.614 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.078 3.997 -3.383 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.254 4.635 -4.731 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.296 4.223 -2.219 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.472 4.861 -3.568 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.010 4.650 -2.336 1.00 0.00 C ATOM 0 H PHE A 36 -11.205 1.567 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.250 3.511 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.761 3.482 -6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.692 4.927 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.099 3.658 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.828 4.802 -5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.723 4.056 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.451 5.200 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.416 4.822 -1.451 1.00 0.00 H new ATOM 519 N GLN A 37 -13.193 2.050 -7.717 1.00 0.00 N ATOM 520 CA GLN A 37 -13.908 1.885 -8.971 1.00 0.00 C ATOM 521 C GLN A 37 -15.211 1.116 -8.741 1.00 0.00 C ATOM 522 O GLN A 37 -16.238 1.434 -9.340 1.00 0.00 O ATOM 523 CB GLN A 37 -13.035 1.183 -10.013 1.00 0.00 C ATOM 524 CG GLN A 37 -13.219 -0.335 -9.951 1.00 0.00 C ATOM 525 CD GLN A 37 -12.284 -1.041 -10.934 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.122 -1.289 -10.656 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.853 -1.351 -12.095 1.00 0.00 N ATOM 0 H GLN A 37 -12.491 1.334 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.154 2.874 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.291 1.543 -11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.988 1.433 -9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.022 -0.688 -8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.254 -0.589 -10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.831 -1.115 -12.263 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.312 -1.825 -12.818 1.00 0.00 H new ATOM 536 N LYS A 38 -15.128 0.120 -7.871 1.00 0.00 N ATOM 537 CA LYS A 38 -16.288 -0.696 -7.555 1.00 0.00 C ATOM 538 C LYS A 38 -17.323 0.159 -6.822 1.00 0.00 C ATOM 539 O LYS A 38 -18.454 0.302 -7.284 1.00 0.00 O ATOM 540 CB LYS A 38 -15.867 -1.948 -6.783 1.00 0.00 C ATOM 541 CG LYS A 38 -15.447 -3.067 -7.739 1.00 0.00 C ATOM 542 CD LYS A 38 -16.666 -3.843 -8.243 1.00 0.00 C ATOM 543 CE LYS A 38 -16.239 -5.066 -9.057 1.00 0.00 C ATOM 544 NZ LYS A 38 -17.280 -5.417 -10.049 1.00 0.00 N ATOM 0 H LYS A 38 -14.275 -0.140 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.761 -1.056 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.040 -1.707 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.693 -2.289 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.906 -2.644 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.763 -3.747 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.275 -4.160 -7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.288 -3.192 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.297 -4.861 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.064 -5.911 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.975 -6.249 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.170 -5.633 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.428 -4.616 -10.695 1.00 0.00 H new ATOM 558 N GLU A 39 -16.899 0.706 -5.692 1.00 0.00 N ATOM 559 CA GLU A 39 -17.776 1.543 -4.891 1.00 0.00 C ATOM 560 C GLU A 39 -18.046 2.867 -5.608 1.00 0.00 C ATOM 561 O GLU A 39 -19.043 3.534 -5.333 1.00 0.00 O ATOM 562 CB GLU A 39 -17.184 1.784 -3.501 1.00 0.00 C ATOM 563 CG GLU A 39 -17.882 0.918 -2.450 1.00 0.00 C ATOM 564 CD GLU A 39 -19.241 1.510 -2.068 1.00 0.00 C ATOM 565 OE1 GLU A 39 -20.102 1.584 -2.970 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.387 1.874 -0.881 1.00 0.00 O ATOM 0 H GLU A 39 -15.960 0.586 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.725 1.022 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.117 1.560 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.286 2.836 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.017 -0.092 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.253 0.838 -1.563 1.00 0.00 H new ATOM 573 N LYS A 40 -17.142 3.209 -6.514 1.00 0.00 N ATOM 574 CA LYS A 40 -17.270 4.441 -7.273 1.00 0.00 C ATOM 575 C LYS A 40 -16.637 5.589 -6.485 1.00 0.00 C ATOM 576 O LYS A 40 -16.876 6.758 -6.784 1.00 0.00 O ATOM 577 CB LYS A 40 -18.732 4.687 -7.651 1.00 0.00 C ATOM 578 CG LYS A 40 -19.425 3.381 -8.045 1.00 0.00 C ATOM 579 CD LYS A 40 -19.995 3.468 -9.462 1.00 0.00 C ATOM 580 CE LYS A 40 -21.524 3.510 -9.436 1.00 0.00 C ATOM 581 NZ LYS A 40 -22.076 3.087 -10.743 1.00 0.00 N ATOM 0 H LYS A 40 -16.317 2.653 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.729 4.366 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.257 5.142 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.783 5.394 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.715 2.556 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.227 3.164 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.612 4.360 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.661 2.610 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.898 2.857 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.862 4.519 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.115 3.121 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.733 3.726 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.768 2.116 -10.952 1.00 0.00 H new ATOM 595 N ILE A 41 -15.843 5.215 -5.492 1.00 0.00 N ATOM 596 CA ILE A 41 -15.173 6.199 -4.659 1.00 0.00 C ATOM 597 C ILE A 41 -14.011 6.817 -5.439 1.00 0.00 C ATOM 598 O ILE A 41 -13.626 6.309 -6.491 1.00 0.00 O ATOM 599 CB ILE A 41 -14.756 5.577 -3.325 1.00 0.00 C ATOM 600 CG1 ILE A 41 -15.968 5.012 -2.581 1.00 0.00 C ATOM 601 CG2 ILE A 41 -13.976 6.579 -2.472 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.594 3.751 -1.799 1.00 0.00 C ATOM 0 H ILE A 41 -15.649 4.244 -5.246 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.855 7.011 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.087 4.742 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.362 5.764 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.761 4.781 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.692 6.111 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.079 6.892 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.600 7.449 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.474 3.371 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.223 2.992 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.819 3.991 -1.071 1.00 0.00 H new ATOM 614 N GLN A 42 -13.485 7.903 -4.893 1.00 0.00 N ATOM 615 CA GLN A 42 -12.374 8.595 -5.525 1.00 0.00 C ATOM 616 C GLN A 42 -11.337 9.003 -4.477 1.00 0.00 C ATOM 617 O GLN A 42 -11.666 9.680 -3.504 1.00 0.00 O ATOM 618 CB GLN A 42 -12.863 9.811 -6.314 1.00 0.00 C ATOM 619 CG GLN A 42 -13.809 10.668 -5.470 1.00 0.00 C ATOM 620 CD GLN A 42 -14.907 11.289 -6.337 1.00 0.00 C ATOM 621 OE1 GLN A 42 -14.813 11.353 -7.552 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.949 11.743 -5.647 1.00 0.00 N ATOM 0 H GLN A 42 -13.807 8.321 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.900 7.912 -6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.010 10.410 -6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.375 9.481 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.260 10.056 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.245 11.456 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.964 11.658 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.733 12.176 -6.134 1.00 0.00 H new ATOM 631 N GLY A 43 -10.106 8.573 -4.710 1.00 0.00 N ATOM 632 CA GLY A 43 -9.019 8.885 -3.798 1.00 0.00 C ATOM 633 C GLY A 43 -7.716 9.130 -4.561 1.00 0.00 C ATOM 634 O GLY A 43 -7.280 8.284 -5.341 1.00 0.00 O ATOM 0 H GLY A 43 -9.837 8.011 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.273 9.768 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.883 8.064 -3.094 1.00 0.00 H new ATOM 638 N GLU A 44 -7.130 10.291 -4.311 1.00 0.00 N ATOM 639 CA GLU A 44 -5.885 10.659 -4.965 1.00 0.00 C ATOM 640 C GLU A 44 -4.720 10.568 -3.977 1.00 0.00 C ATOM 641 O GLU A 44 -4.925 10.603 -2.765 1.00 0.00 O ATOM 642 CB GLU A 44 -5.979 12.058 -5.575 1.00 0.00 C ATOM 643 CG GLU A 44 -5.929 13.135 -4.489 1.00 0.00 C ATOM 644 CD GLU A 44 -5.759 14.526 -5.103 1.00 0.00 C ATOM 645 OE1 GLU A 44 -6.797 15.105 -5.490 1.00 0.00 O ATOM 646 OE2 GLU A 44 -4.596 14.978 -5.172 1.00 0.00 O ATOM 0 H GLU A 44 -7.494 10.990 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.702 9.956 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.160 12.208 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.906 12.150 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.845 13.104 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.103 12.931 -3.807 1.00 0.00 H new ATOM 653 N TYR A 45 -3.523 10.453 -4.533 1.00 0.00 N ATOM 654 CA TYR A 45 -2.325 10.357 -3.717 1.00 0.00 C ATOM 655 C TYR A 45 -1.547 11.674 -3.727 1.00 0.00 C ATOM 656 O TYR A 45 -1.218 12.197 -4.791 1.00 0.00 O ATOM 657 CB TYR A 45 -1.464 9.266 -4.357 1.00 0.00 C ATOM 658 CG TYR A 45 -2.036 7.855 -4.209 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.969 7.389 -5.113 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.620 7.047 -3.170 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.507 6.061 -4.973 1.00 0.00 C ATOM 662 CE2 TYR A 45 -2.159 5.719 -3.029 1.00 0.00 C ATOM 663 CZ TYR A 45 -3.075 5.291 -3.938 1.00 0.00 C ATOM 664 OH TYR A 45 -3.584 4.037 -3.806 1.00 0.00 O ATOM 0 H TYR A 45 -3.357 10.424 -5.539 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.584 10.132 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.343 9.488 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.470 9.293 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.296 8.021 -5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.890 7.411 -2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.237 5.684 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.843 5.078 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.180 3.845 -4.560 1.00 0.00 H new ATOM 674 N LYS A 46 -1.277 12.174 -2.530 1.00 0.00 N ATOM 675 CA LYS A 46 -0.544 13.421 -2.388 1.00 0.00 C ATOM 676 C LYS A 46 0.941 13.114 -2.182 1.00 0.00 C ATOM 677 O LYS A 46 1.349 12.704 -1.097 1.00 0.00 O ATOM 678 CB LYS A 46 -1.154 14.277 -1.276 1.00 0.00 C ATOM 679 CG LYS A 46 -0.772 15.749 -1.445 1.00 0.00 C ATOM 680 CD LYS A 46 -0.262 16.337 -0.128 1.00 0.00 C ATOM 681 CE LYS A 46 0.167 17.795 -0.309 1.00 0.00 C ATOM 682 NZ LYS A 46 0.290 18.465 1.005 1.00 0.00 N ATOM 0 H LYS A 46 -1.553 11.738 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.624 14.016 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.239 14.176 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.811 13.918 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.003 15.843 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.637 16.316 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.044 16.275 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.581 15.749 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.120 17.837 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.562 18.321 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.582 19.453 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.627 18.441 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.002 17.972 1.581 1.00 0.00 H new ATOM 696 N TYR A 47 1.708 13.325 -3.242 1.00 0.00 N ATOM 697 CA TYR A 47 3.139 13.077 -3.192 1.00 0.00 C ATOM 698 C TYR A 47 3.898 14.332 -2.757 1.00 0.00 C ATOM 699 O TYR A 47 3.791 15.378 -3.394 1.00 0.00 O ATOM 700 CB TYR A 47 3.554 12.712 -4.619 1.00 0.00 C ATOM 701 CG TYR A 47 2.902 11.433 -5.149 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.470 10.206 -4.877 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.746 11.508 -5.899 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.856 9.002 -5.376 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.132 10.305 -6.398 1.00 0.00 C ATOM 706 CZ TYR A 47 1.718 9.111 -6.112 1.00 0.00 C ATOM 707 OH TYR A 47 1.138 7.975 -6.583 1.00 0.00 O ATOM 0 H TYR A 47 1.365 13.665 -4.141 1.00 0.00 H new ATOM 0 HA TYR A 47 3.367 12.288 -2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.301 13.539 -5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.637 12.596 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.375 10.148 -4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.302 12.469 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.290 8.035 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.227 10.350 -6.986 1.00 0.00 H new ATOM 0 HH TYR A 47 1.762 7.512 -7.180 1.00 0.00 H new ATOM 717 N THR A 48 4.649 14.185 -1.676 1.00 0.00 N ATOM 718 CA THR A 48 5.427 15.294 -1.149 1.00 0.00 C ATOM 719 C THR A 48 6.924 15.010 -1.290 1.00 0.00 C ATOM 720 O THR A 48 7.464 14.148 -0.598 1.00 0.00 O ATOM 721 CB THR A 48 4.988 15.534 0.297 1.00 0.00 C ATOM 722 OG1 THR A 48 3.646 15.999 0.179 1.00 0.00 O ATOM 723 CG2 THR A 48 5.731 16.702 0.948 1.00 0.00 C ATOM 0 H THR A 48 4.736 13.315 -1.150 1.00 0.00 H new ATOM 0 HA THR A 48 5.247 16.208 -1.715 1.00 0.00 H new ATOM 0 HB THR A 48 5.152 14.629 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.282 16.178 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.382 16.829 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.801 16.495 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.540 17.615 0.384 1.00 0.00 H new ATOM 731 N GLN A 49 7.552 15.752 -2.190 1.00 0.00 N ATOM 732 CA GLN A 49 8.975 15.591 -2.431 1.00 0.00 C ATOM 733 C GLN A 49 9.781 16.241 -1.304 1.00 0.00 C ATOM 734 O GLN A 49 9.540 17.393 -0.949 1.00 0.00 O ATOM 735 CB GLN A 49 9.370 16.169 -3.791 1.00 0.00 C ATOM 736 CG GLN A 49 10.822 15.827 -4.132 1.00 0.00 C ATOM 737 CD GLN A 49 11.659 17.096 -4.303 1.00 0.00 C ATOM 738 OE1 GLN A 49 11.294 18.022 -5.009 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.800 17.088 -3.619 1.00 0.00 N ATOM 0 H GLN A 49 7.101 16.467 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 49 9.203 14.525 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.709 15.775 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.240 17.251 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.249 15.209 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.855 15.239 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.046 16.280 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.429 17.889 -3.667 1.00 0.00 H new ATOM 748 N VAL A 50 10.722 15.473 -0.774 1.00 0.00 N ATOM 749 CA VAL A 50 11.564 15.960 0.306 1.00 0.00 C ATOM 750 C VAL A 50 13.018 15.577 0.024 1.00 0.00 C ATOM 751 O VAL A 50 13.300 14.857 -0.933 1.00 0.00 O ATOM 752 CB VAL A 50 11.055 15.428 1.647 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.718 16.070 2.019 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.944 13.902 1.625 1.00 0.00 C ATOM 0 H VAL A 50 10.920 14.518 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 50 11.519 17.047 0.365 1.00 0.00 H new ATOM 0 HB VAL A 50 11.781 15.700 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.378 15.675 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.842 17.150 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.979 15.844 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.580 13.550 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.248 13.599 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.924 13.469 1.427 1.00 0.00 H new ATOM 764 N GLY A 51 13.904 16.075 0.874 1.00 0.00 N ATOM 765 CA GLY A 51 15.322 15.794 0.729 1.00 0.00 C ATOM 766 C GLY A 51 15.880 16.436 -0.543 1.00 0.00 C ATOM 767 O GLY A 51 15.143 17.066 -1.300 1.00 0.00 O ATOM 0 H GLY A 51 13.667 16.672 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.862 16.171 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.482 14.716 0.697 1.00 0.00 H new ATOM 771 N PRO A 52 17.212 16.250 -0.744 1.00 0.00 N ATOM 772 CA PRO A 52 17.878 16.803 -1.911 1.00 0.00 C ATOM 773 C PRO A 52 17.540 15.998 -3.168 1.00 0.00 C ATOM 774 O PRO A 52 17.154 14.834 -3.078 1.00 0.00 O ATOM 775 CB PRO A 52 19.358 16.777 -1.569 1.00 0.00 C ATOM 776 CG PRO A 52 19.504 15.788 -0.423 1.00 0.00 C ATOM 777 CD PRO A 52 18.117 15.510 0.131 1.00 0.00 C ATOM 0 HA PRO A 52 17.554 17.818 -2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.952 16.469 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.709 17.767 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.968 14.865 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.151 16.196 0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.893 14.443 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 52 18.029 15.844 1.165 1.00 0.00 H new ATOM 785 N ASP A 53 17.698 16.651 -4.310 1.00 0.00 N ATOM 786 CA ASP A 53 17.415 16.011 -5.583 1.00 0.00 C ATOM 787 C ASP A 53 18.189 14.694 -5.670 1.00 0.00 C ATOM 788 O ASP A 53 17.595 13.630 -5.837 1.00 0.00 O ATOM 789 CB ASP A 53 17.853 16.894 -6.753 1.00 0.00 C ATOM 790 CG ASP A 53 17.312 16.471 -8.120 1.00 0.00 C ATOM 791 OD1 ASP A 53 17.831 15.464 -8.649 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.391 17.163 -8.606 1.00 0.00 O ATOM 0 H ASP A 53 18.018 17.617 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 53 16.340 15.840 -5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.536 17.918 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.942 16.900 -6.796 1.00 0.00 H new ATOM 797 N HIS A 54 19.504 14.808 -5.553 1.00 0.00 N ATOM 798 CA HIS A 54 20.366 13.640 -5.616 1.00 0.00 C ATOM 799 C HIS A 54 19.705 12.474 -4.879 1.00 0.00 C ATOM 800 O HIS A 54 19.689 11.349 -5.376 1.00 0.00 O ATOM 801 CB HIS A 54 21.762 13.965 -5.081 1.00 0.00 C ATOM 802 CG HIS A 54 21.979 13.556 -3.644 1.00 0.00 C ATOM 803 ND1 HIS A 54 21.856 14.439 -2.586 1.00 0.00 N ATOM 804 CD2 HIS A 54 22.311 12.349 -3.101 1.00 0.00 C ATOM 805 CE1 HIS A 54 22.106 13.784 -1.462 1.00 0.00 C ATOM 806 NE2 HIS A 54 22.389 12.489 -1.783 1.00 0.00 N ATOM 0 H HIS A 54 19.994 15.692 -5.415 1.00 0.00 H new ATOM 0 HA HIS A 54 20.500 13.338 -6.655 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.504 13.468 -5.706 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.935 15.037 -5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.481 11.435 -3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.089 14.202 -0.466 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.622 11.750 -1.120 1.00 0.00 H new ATOM 814 N ASN A 55 19.174 12.783 -3.704 1.00 0.00 N ATOM 815 CA ASN A 55 18.513 11.775 -2.893 1.00 0.00 C ATOM 816 C ASN A 55 17.229 12.362 -2.305 1.00 0.00 C ATOM 817 O ASN A 55 17.233 12.884 -1.192 1.00 0.00 O ATOM 818 CB ASN A 55 19.405 11.331 -1.732 1.00 0.00 C ATOM 819 CG ASN A 55 18.965 9.968 -1.193 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.443 8.925 -1.607 1.00 0.00 O ATOM 821 ND2 ASN A 55 18.031 10.035 -0.249 1.00 0.00 N ATOM 0 H ASN A 55 19.188 13.717 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 55 18.297 10.917 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.441 11.277 -2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.365 12.072 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 55 17.672 9.179 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 55 17.674 10.942 0.052 1.00 0.00 H new ATOM 828 N ARG A 56 16.159 12.256 -3.080 1.00 0.00 N ATOM 829 CA ARG A 56 14.870 12.769 -2.650 1.00 0.00 C ATOM 830 C ARG A 56 13.856 11.629 -2.536 1.00 0.00 C ATOM 831 O ARG A 56 14.130 10.505 -2.952 1.00 0.00 O ATOM 832 CB ARG A 56 14.340 13.818 -3.630 1.00 0.00 C ATOM 833 CG ARG A 56 13.886 13.166 -4.938 1.00 0.00 C ATOM 834 CD ARG A 56 13.169 14.177 -5.835 1.00 0.00 C ATOM 835 NE ARG A 56 14.048 14.568 -6.960 1.00 0.00 N ATOM 836 CZ ARG A 56 13.636 15.264 -8.029 1.00 0.00 C ATOM 837 NH1 ARG A 56 12.356 15.650 -8.124 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.503 15.574 -9.002 1.00 0.00 N ATOM 0 H ARG A 56 16.159 11.822 -4.003 1.00 0.00 H new ATOM 0 HA ARG A 56 15.008 13.236 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.506 14.354 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.117 14.554 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.749 12.757 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.220 12.331 -4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.245 13.744 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.892 15.058 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 56 15.029 14.290 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.696 15.414 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.042 16.180 -8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.477 15.280 -8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.189 16.104 -9.815 1.00 0.00 H new ATOM 852 N SER A 57 12.704 11.959 -1.969 1.00 0.00 N ATOM 853 CA SER A 57 11.648 10.977 -1.795 1.00 0.00 C ATOM 854 C SER A 57 10.285 11.672 -1.772 1.00 0.00 C ATOM 855 O SER A 57 10.076 12.611 -1.006 1.00 0.00 O ATOM 856 CB SER A 57 11.853 10.169 -0.512 1.00 0.00 C ATOM 857 OG SER A 57 13.223 10.124 -0.123 1.00 0.00 O ATOM 0 H SER A 57 12.480 12.892 -1.625 1.00 0.00 H new ATOM 0 HA SER A 57 11.682 10.286 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.262 10.609 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.485 9.154 -0.660 1.00 0.00 H new ATOM 0 HG SER A 57 13.312 9.601 0.701 1.00 0.00 H new ATOM 863 N PHE A 58 9.393 11.184 -2.622 1.00 0.00 N ATOM 864 CA PHE A 58 8.056 11.747 -2.709 1.00 0.00 C ATOM 865 C PHE A 58 7.107 11.060 -1.726 1.00 0.00 C ATOM 866 O PHE A 58 6.608 9.969 -1.999 1.00 0.00 O ATOM 867 CB PHE A 58 7.560 11.502 -4.136 1.00 0.00 C ATOM 868 CG PHE A 58 8.170 12.442 -5.177 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.344 12.118 -5.782 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.538 13.603 -5.498 1.00 0.00 C ATOM 871 CE1 PHE A 58 9.910 12.990 -6.748 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.104 14.475 -6.465 1.00 0.00 C ATOM 873 CZ PHE A 58 9.278 14.151 -7.070 1.00 0.00 C ATOM 0 H PHE A 58 9.570 10.405 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 58 8.082 12.809 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.784 10.473 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.475 11.609 -4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.846 11.196 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.606 13.861 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.843 12.732 -7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.602 15.396 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.708 14.815 -7.805 1.00 0.00 H new ATOM 883 N ILE A 59 6.885 11.726 -0.603 1.00 0.00 N ATOM 884 CA ILE A 59 6.004 11.193 0.423 1.00 0.00 C ATOM 885 C ILE A 59 4.583 11.094 -0.134 1.00 0.00 C ATOM 886 O ILE A 59 3.893 12.104 -0.269 1.00 0.00 O ATOM 887 CB ILE A 59 6.107 12.025 1.703 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.335 11.621 2.521 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.818 11.934 2.521 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.965 12.838 3.202 1.00 0.00 C ATOM 0 H ILE A 59 7.300 12.631 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 59 6.309 10.184 0.701 1.00 0.00 H new ATOM 0 HB ILE A 59 6.236 13.070 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.049 10.886 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.068 11.143 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.918 12.534 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.983 12.308 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.633 10.895 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.836 12.523 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.272 13.560 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.237 13.299 3.870 1.00 0.00 H new ATOM 902 N ALA A 60 4.186 9.868 -0.442 1.00 0.00 N ATOM 903 CA ALA A 60 2.859 9.625 -0.981 1.00 0.00 C ATOM 904 C ALA A 60 1.891 9.339 0.169 1.00 0.00 C ATOM 905 O ALA A 60 1.984 8.299 0.820 1.00 0.00 O ATOM 906 CB ALA A 60 2.920 8.477 -1.990 1.00 0.00 C ATOM 0 H ALA A 60 4.760 9.033 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 60 2.493 10.505 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.924 8.295 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.598 8.741 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.281 7.576 -1.494 1.00 0.00 H new ATOM 912 N GLU A 61 0.983 10.280 0.384 1.00 0.00 N ATOM 913 CA GLU A 61 -0.001 10.142 1.445 1.00 0.00 C ATOM 914 C GLU A 61 -1.411 10.077 0.855 1.00 0.00 C ATOM 915 O GLU A 61 -1.690 10.703 -0.167 1.00 0.00 O ATOM 916 CB GLU A 61 0.118 11.284 2.455 1.00 0.00 C ATOM 917 CG GLU A 61 -0.195 12.631 1.800 1.00 0.00 C ATOM 918 CD GLU A 61 0.308 13.790 2.663 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.543 13.975 2.702 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.555 14.466 3.265 1.00 0.00 O ATOM 0 H GLU A 61 0.908 11.141 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 61 0.194 9.210 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.566 11.112 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.126 11.303 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.270 12.677 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.270 12.725 1.649 1.00 0.00 H new ATOM 927 N MET A 62 -2.263 9.313 1.523 1.00 0.00 N ATOM 928 CA MET A 62 -3.638 9.158 1.078 1.00 0.00 C ATOM 929 C MET A 62 -4.569 8.885 2.260 1.00 0.00 C ATOM 930 O MET A 62 -4.171 8.251 3.236 1.00 0.00 O ATOM 931 CB MET A 62 -3.724 8.000 0.081 1.00 0.00 C ATOM 932 CG MET A 62 -5.179 7.606 -0.176 1.00 0.00 C ATOM 933 SD MET A 62 -5.259 6.372 -1.464 1.00 0.00 S ATOM 934 CE MET A 62 -5.588 7.417 -2.874 1.00 0.00 C ATOM 0 H MET A 62 -2.028 8.794 2.369 1.00 0.00 H new ATOM 0 HA MET A 62 -3.953 10.085 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.250 8.287 -0.858 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.174 7.142 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.626 7.218 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.756 8.484 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.895 6.801 -3.719 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.384 8.120 -2.628 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.685 7.969 -3.136 1.00 0.00 H new ATOM 944 N THR A 63 -5.793 9.376 2.133 1.00 0.00 N ATOM 945 CA THR A 63 -6.785 9.193 3.179 1.00 0.00 C ATOM 946 C THR A 63 -8.149 8.864 2.569 1.00 0.00 C ATOM 947 O THR A 63 -8.526 9.427 1.542 1.00 0.00 O ATOM 948 CB THR A 63 -6.796 10.453 4.046 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.428 10.646 4.396 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.496 10.234 5.389 1.00 0.00 C ATOM 0 H THR A 63 -6.120 9.900 1.322 1.00 0.00 H new ATOM 0 HA THR A 63 -6.535 8.345 3.816 1.00 0.00 H new ATOM 0 HB THR A 63 -7.291 11.260 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.213 11.601 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.476 11.159 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.530 9.937 5.216 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.981 9.450 5.944 1.00 0.00 H new ATOM 958 N ILE A 64 -8.851 7.952 3.226 1.00 0.00 N ATOM 959 CA ILE A 64 -10.165 7.541 2.761 1.00 0.00 C ATOM 960 C ILE A 64 -11.093 7.359 3.964 1.00 0.00 C ATOM 961 O ILE A 64 -10.629 7.185 5.090 1.00 0.00 O ATOM 962 CB ILE A 64 -10.055 6.298 1.876 1.00 0.00 C ATOM 963 CG1 ILE A 64 -9.013 5.323 2.427 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.768 6.684 0.423 1.00 0.00 C ATOM 965 CD1 ILE A 64 -9.224 3.918 1.860 1.00 0.00 C ATOM 0 H ILE A 64 -8.535 7.486 4.076 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.606 8.314 2.132 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.016 5.783 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.012 5.674 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.076 5.294 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.694 5.782 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.576 7.311 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.828 7.234 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.470 3.244 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.217 3.560 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.136 3.947 0.774 1.00 0.00 H new ATOM 977 N TYR A 65 -12.387 7.406 3.685 1.00 0.00 N ATOM 978 CA TYR A 65 -13.384 7.248 4.730 1.00 0.00 C ATOM 979 C TYR A 65 -14.296 6.053 4.442 1.00 0.00 C ATOM 980 O TYR A 65 -14.759 5.878 3.316 1.00 0.00 O ATOM 981 CB TYR A 65 -14.221 8.529 4.711 1.00 0.00 C ATOM 982 CG TYR A 65 -15.458 8.478 5.610 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.582 7.791 5.200 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.448 9.119 6.833 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.746 7.743 6.046 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.612 9.071 7.679 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.703 8.385 7.245 1.00 0.00 C ATOM 988 OH TYR A 65 -18.802 8.340 8.044 1.00 0.00 O ATOM 0 H TYR A 65 -12.768 7.551 2.750 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.905 7.075 5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.594 9.365 5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.537 8.729 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.589 7.289 4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.568 9.656 7.155 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.633 7.210 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.619 9.569 8.637 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.628 8.841 8.868 1.00 0.00 H new ATOM 998 N ILE A 66 -14.526 5.263 5.480 1.00 0.00 N ATOM 999 CA ILE A 66 -15.374 4.089 5.353 1.00 0.00 C ATOM 1000 C ILE A 66 -16.647 4.294 6.177 1.00 0.00 C ATOM 1001 O ILE A 66 -16.592 4.362 7.404 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.597 2.824 5.724 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.210 2.824 5.080 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.395 1.568 5.370 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.310 2.980 3.561 1.00 0.00 C ATOM 0 H ILE A 66 -14.140 5.412 6.412 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.683 3.952 4.317 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.449 2.817 6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.613 3.637 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.694 1.895 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.821 0.683 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.339 1.571 5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.595 1.554 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.310 2.977 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.887 2.153 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.805 3.922 3.324 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.763 4.385 5.469 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.048 4.580 6.120 1.00 0.00 C ATOM 1019 C LYS A 67 -19.411 3.322 6.910 1.00 0.00 C ATOM 1020 O LYS A 67 -20.080 3.402 7.939 1.00 0.00 O ATOM 1021 CB LYS A 67 -20.109 4.991 5.097 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.062 4.087 3.864 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.625 4.872 2.625 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.511 4.537 1.423 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.418 3.096 1.097 1.00 0.00 N ATOM 0 H LYS A 67 -17.804 4.327 4.451 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.992 5.401 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -21.098 4.939 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.949 6.027 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.371 3.263 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.045 3.648 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.675 5.941 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.586 4.640 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.546 4.801 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.206 5.131 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.077 2.982 0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.755 2.634 1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -21.357 2.658 1.189 1.00 0.00 H new ATOM 1039 N GLN A 68 -18.953 2.188 6.400 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.221 0.914 7.045 1.00 0.00 C ATOM 1041 C GLN A 68 -18.693 0.926 8.481 1.00 0.00 C ATOM 1042 O GLN A 68 -19.330 0.386 9.385 1.00 0.00 O ATOM 1043 CB GLN A 68 -18.616 -0.243 6.248 1.00 0.00 C ATOM 1044 CG GLN A 68 -18.447 -1.484 7.126 1.00 0.00 C ATOM 1045 CD GLN A 68 -18.821 -2.754 6.358 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -19.982 -3.073 6.163 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.775 -3.458 5.934 1.00 0.00 N ATOM 0 H GLN A 68 -18.398 2.125 5.547 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.300 0.764 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.257 -0.479 5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -17.649 0.056 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.415 -1.553 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.073 -1.394 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.828 -3.134 6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.920 -4.322 5.411 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.534 1.546 8.647 1.00 0.00 N ATOM 1057 CA LEU A 69 -16.913 1.635 9.958 1.00 0.00 C ATOM 1058 C LEU A 69 -17.335 2.943 10.629 1.00 0.00 C ATOM 1059 O LEU A 69 -17.274 3.065 11.852 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.397 1.463 9.845 1.00 0.00 C ATOM 1061 CG LEU A 69 -14.899 0.694 8.620 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.371 0.719 8.541 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -15.449 -0.734 8.607 1.00 0.00 C ATOM 0 H LEU A 69 -17.008 1.992 7.895 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.256 0.822 10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.938 2.452 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.042 0.952 10.740 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.277 1.193 7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.043 0.165 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.027 1.751 8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.953 0.259 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.079 -1.258 7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.122 -1.258 9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.538 -0.704 8.581 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.754 3.889 9.801 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.185 5.183 10.300 1.00 0.00 C ATOM 1077 C GLY A 70 -16.986 6.092 10.577 1.00 0.00 C ATOM 1078 O GLY A 70 -17.139 7.170 11.149 1.00 0.00 O ATOM 0 H GLY A 70 -17.804 3.785 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.844 5.656 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.764 5.050 11.214 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.820 5.623 10.159 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.595 6.380 10.355 1.00 0.00 C ATOM 1084 C ARG A 71 -13.787 6.428 9.056 1.00 0.00 C ATOM 1085 O ARG A 71 -14.269 6.007 8.005 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.736 5.761 11.459 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.082 4.462 10.982 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.558 4.594 10.951 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.946 3.609 11.869 1.00 0.00 N ATOM 1090 CZ ARG A 71 -9.656 3.621 12.232 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -8.835 4.567 11.756 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.187 2.687 13.071 1.00 0.00 N ATOM 0 H ARG A 71 -15.697 4.728 9.685 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.874 7.391 10.651 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.966 6.469 11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.352 5.561 12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.366 3.644 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.449 4.210 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.192 4.435 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.266 5.604 11.241 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.543 2.875 12.250 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.192 5.278 11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.853 4.576 12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.812 1.967 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.205 2.696 13.347 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.573 6.945 9.171 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.693 7.054 8.019 1.00 0.00 C ATOM 1108 C ARG A 72 -10.259 6.693 8.410 1.00 0.00 C ATOM 1109 O ARG A 72 -9.845 6.921 9.546 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.716 8.470 7.441 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.635 9.518 8.553 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.459 10.470 8.325 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.487 10.347 9.434 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.520 11.240 9.688 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.391 12.326 8.913 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.683 11.048 10.716 1.00 0.00 N ATOM 0 H ARG A 72 -12.177 7.293 10.044 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.052 6.358 7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.880 8.599 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.629 8.616 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.565 10.086 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.524 9.022 9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.973 10.240 7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.819 11.497 8.258 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.557 9.532 10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.028 12.473 8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.655 13.006 9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.781 10.222 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.947 11.728 10.909 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.539 6.136 7.448 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.160 5.741 7.677 1.00 0.00 C ATOM 1132 C ILE A 73 -7.239 6.588 6.797 1.00 0.00 C ATOM 1133 O ILE A 73 -7.523 6.801 5.619 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.993 4.234 7.471 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.490 3.811 6.088 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.677 3.448 8.592 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.847 2.492 5.654 1.00 0.00 C ATOM 0 H ILE A 73 -9.885 5.949 6.507 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.876 5.931 8.712 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.930 3.999 7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.574 3.703 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.259 4.589 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.543 2.380 8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.234 3.721 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.741 3.683 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.218 2.214 4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.764 2.611 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.101 1.711 6.370 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.153 7.047 7.402 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.188 7.866 6.688 1.00 0.00 C ATOM 1151 C PHE A 74 -3.851 7.136 6.542 1.00 0.00 C ATOM 1152 O PHE A 74 -3.533 6.252 7.336 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.976 9.134 7.518 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.578 9.740 7.382 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.523 9.165 8.019 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.390 10.853 6.624 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.225 9.727 7.893 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.092 11.416 6.498 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.037 10.841 7.135 1.00 0.00 C ATOM 0 H PHE A 74 -5.920 6.867 8.379 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.559 8.092 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.714 9.879 7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.161 8.904 8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.672 8.281 8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.228 11.309 6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.387 9.270 8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.943 12.300 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.050 11.269 7.039 1.00 0.00 H new ATOM 1169 N ALA A 75 -3.105 7.534 5.522 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.809 6.929 5.262 1.00 0.00 C ATOM 1171 C ALA A 75 -0.823 8.013 4.825 1.00 0.00 C ATOM 1172 O ALA A 75 -1.231 9.089 4.390 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.963 5.824 4.215 1.00 0.00 C ATOM 0 H ALA A 75 -3.373 8.268 4.866 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.412 6.468 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.992 5.370 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.651 5.064 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.357 6.250 3.292 1.00 0.00 H new ATOM 1179 N ARG A 76 0.456 7.693 4.956 1.00 0.00 N ATOM 1180 CA ARG A 76 1.504 8.627 4.580 1.00 0.00 C ATOM 1181 C ARG A 76 2.878 7.975 4.739 1.00 0.00 C ATOM 1182 O ARG A 76 3.397 7.874 5.850 1.00 0.00 O ATOM 1183 CB ARG A 76 1.446 9.894 5.436 1.00 0.00 C ATOM 1184 CG ARG A 76 2.508 10.903 4.995 1.00 0.00 C ATOM 1185 CD ARG A 76 3.432 11.270 6.158 1.00 0.00 C ATOM 1186 NE ARG A 76 4.635 10.408 6.140 1.00 0.00 N ATOM 1187 CZ ARG A 76 5.543 10.366 7.124 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.391 11.136 8.210 1.00 0.00 N ATOM 1189 NH2 ARG A 76 6.604 9.553 7.023 1.00 0.00 N ATOM 0 H ARG A 76 0.790 6.800 5.317 1.00 0.00 H new ATOM 0 HA ARG A 76 1.346 8.900 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.457 10.345 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.597 9.636 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.095 10.485 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.024 11.802 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.724 12.318 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.904 11.152 7.104 1.00 0.00 H new ATOM 0 HE ARG A 76 4.782 9.809 5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.584 11.754 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.083 11.104 8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.720 8.966 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.295 9.521 7.772 1.00 0.00 H new ATOM 1203 N GLU A 77 3.429 7.548 3.612 1.00 0.00 N ATOM 1204 CA GLU A 77 4.734 6.908 3.613 1.00 0.00 C ATOM 1205 C GLU A 77 5.751 7.775 2.867 1.00 0.00 C ATOM 1206 O GLU A 77 5.427 8.876 2.425 1.00 0.00 O ATOM 1207 CB GLU A 77 4.657 5.507 3.004 1.00 0.00 C ATOM 1208 CG GLU A 77 3.851 4.563 3.899 1.00 0.00 C ATOM 1209 CD GLU A 77 4.776 3.728 4.787 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.661 3.057 4.214 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.576 3.779 6.020 1.00 0.00 O ATOM 0 H GLU A 77 2.996 7.633 2.692 1.00 0.00 H new ATOM 0 HA GLU A 77 5.065 6.802 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.196 5.560 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.663 5.111 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.168 5.141 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.240 3.904 3.282 1.00 0.00 H new ATOM 1218 N HIS A 78 6.960 7.246 2.752 1.00 0.00 N ATOM 1219 CA HIS A 78 8.026 7.957 2.067 1.00 0.00 C ATOM 1220 C HIS A 78 8.744 7.007 1.108 1.00 0.00 C ATOM 1221 O HIS A 78 9.916 6.688 1.304 1.00 0.00 O ATOM 1222 CB HIS A 78 8.974 8.613 3.073 1.00 0.00 C ATOM 1223 CG HIS A 78 9.250 7.770 4.296 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.526 6.416 4.226 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.291 8.104 5.618 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.722 5.965 5.457 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.575 7.013 6.318 1.00 0.00 N ATOM 0 H HIS A 78 7.225 6.333 3.122 1.00 0.00 H new ATOM 0 HA HIS A 78 7.604 8.767 1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.919 8.834 2.576 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.549 9.566 3.389 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.571 5.860 3.372 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.121 9.089 6.026 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.957 4.947 5.730 1.00 0.00 H new ATOM 1235 N GLY A 79 8.011 6.580 0.090 1.00 0.00 N ATOM 1236 CA GLY A 79 8.564 5.672 -0.901 1.00 0.00 C ATOM 1237 C GLY A 79 9.649 6.361 -1.731 1.00 0.00 C ATOM 1238 O GLY A 79 9.813 7.578 -1.658 1.00 0.00 O ATOM 0 H GLY A 79 7.039 6.846 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.982 4.797 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.770 5.317 -1.557 1.00 0.00 H new ATOM 1242 N SER A 80 10.363 5.553 -2.501 1.00 0.00 N ATOM 1243 CA SER A 80 11.428 6.069 -3.344 1.00 0.00 C ATOM 1244 C SER A 80 10.834 6.770 -4.567 1.00 0.00 C ATOM 1245 O SER A 80 11.022 7.971 -4.751 1.00 0.00 O ATOM 1246 CB SER A 80 12.375 4.950 -3.781 1.00 0.00 C ATOM 1247 OG SER A 80 12.989 4.305 -2.669 1.00 0.00 O ATOM 0 H SER A 80 10.225 4.544 -2.559 1.00 0.00 H new ATOM 0 HA SER A 80 12.004 6.790 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.822 4.215 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.146 5.361 -4.432 1.00 0.00 H new ATOM 0 HG SER A 80 13.585 3.596 -2.990 1.00 0.00 H new ATOM 1253 N ASN A 81 10.128 5.989 -5.373 1.00 0.00 N ATOM 1254 CA ASN A 81 9.506 6.520 -6.573 1.00 0.00 C ATOM 1255 C ASN A 81 8.002 6.677 -6.336 1.00 0.00 C ATOM 1256 O ASN A 81 7.448 6.070 -5.422 1.00 0.00 O ATOM 1257 CB ASN A 81 9.700 5.573 -7.759 1.00 0.00 C ATOM 1258 CG ASN A 81 11.183 5.265 -7.977 1.00 0.00 C ATOM 1259 OD1 ASN A 81 12.062 6.034 -7.625 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.411 4.099 -8.576 1.00 0.00 N ATOM 0 H ASN A 81 9.974 4.993 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 81 9.971 7.480 -6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.154 4.646 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.282 6.022 -8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.368 3.802 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.629 3.502 -8.845 1.00 0.00 H new ATOM 1267 N LYS A 82 7.386 7.497 -7.175 1.00 0.00 N ATOM 1268 CA LYS A 82 5.958 7.742 -7.068 1.00 0.00 C ATOM 1269 C LYS A 82 5.232 6.414 -6.839 1.00 0.00 C ATOM 1270 O LYS A 82 4.539 6.246 -5.837 1.00 0.00 O ATOM 1271 CB LYS A 82 5.454 8.515 -8.288 1.00 0.00 C ATOM 1272 CG LYS A 82 5.518 10.025 -8.046 1.00 0.00 C ATOM 1273 CD LYS A 82 4.783 10.789 -9.149 1.00 0.00 C ATOM 1274 CE LYS A 82 4.522 12.238 -8.731 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.177 13.174 -9.673 1.00 0.00 N ATOM 0 H LYS A 82 7.850 8.000 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 82 5.744 8.375 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.055 8.257 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.428 8.222 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.075 10.261 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.559 10.347 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.374 10.772 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.837 10.295 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.449 12.428 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.898 12.405 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.990 14.153 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.203 13.002 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.798 13.025 -10.630 1.00 0.00 H new ATOM 1289 N LYS A 83 5.417 5.505 -7.785 1.00 0.00 N ATOM 1290 CA LYS A 83 4.789 4.197 -7.699 1.00 0.00 C ATOM 1291 C LYS A 83 4.937 3.658 -6.274 1.00 0.00 C ATOM 1292 O LYS A 83 3.967 3.620 -5.518 1.00 0.00 O ATOM 1293 CB LYS A 83 5.350 3.262 -8.771 1.00 0.00 C ATOM 1294 CG LYS A 83 4.347 3.068 -9.910 1.00 0.00 C ATOM 1295 CD LYS A 83 4.309 4.296 -10.822 1.00 0.00 C ATOM 1296 CE LYS A 83 3.669 3.958 -12.170 1.00 0.00 C ATOM 1297 NZ LYS A 83 4.155 4.880 -13.220 1.00 0.00 N ATOM 0 H LYS A 83 5.993 5.648 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 83 3.721 4.273 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.279 3.672 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.592 2.297 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.618 2.187 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.354 2.886 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.747 5.095 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.321 4.668 -10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.905 2.929 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.584 4.026 -12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.711 4.637 -14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.908 5.858 -12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.188 4.795 -13.306 1.00 0.00 H new ATOM 1311 N LEU A 84 6.157 3.256 -5.951 1.00 0.00 N ATOM 1312 CA LEU A 84 6.443 2.721 -4.631 1.00 0.00 C ATOM 1313 C LEU A 84 5.646 3.502 -3.585 1.00 0.00 C ATOM 1314 O LEU A 84 4.733 2.959 -2.963 1.00 0.00 O ATOM 1315 CB LEU A 84 7.952 2.711 -4.373 1.00 0.00 C ATOM 1316 CG LEU A 84 8.729 1.543 -4.984 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.233 1.705 -4.752 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.209 0.203 -4.459 1.00 0.00 C ATOM 0 H LEU A 84 6.959 3.290 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 84 6.124 1.681 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.372 3.641 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.116 2.707 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 84 8.566 1.551 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.762 0.862 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.575 2.632 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.435 1.737 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.779 -0.610 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.322 0.168 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.156 0.095 -4.718 1.00 0.00 H new ATOM 1330 N ALA A 85 6.019 4.762 -3.423 1.00 0.00 N ATOM 1331 CA ALA A 85 5.349 5.623 -2.463 1.00 0.00 C ATOM 1332 C ALA A 85 3.854 5.298 -2.447 1.00 0.00 C ATOM 1333 O ALA A 85 3.310 4.912 -1.414 1.00 0.00 O ATOM 1334 CB ALA A 85 5.623 7.088 -2.811 1.00 0.00 C ATOM 0 H ALA A 85 6.777 5.208 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 85 5.735 5.449 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.120 7.733 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.696 7.275 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.248 7.300 -3.812 1.00 0.00 H new ATOM 1340 N ALA A 86 3.233 5.465 -3.606 1.00 0.00 N ATOM 1341 CA ALA A 86 1.812 5.194 -3.739 1.00 0.00 C ATOM 1342 C ALA A 86 1.509 3.801 -3.181 1.00 0.00 C ATOM 1343 O ALA A 86 0.661 3.651 -2.303 1.00 0.00 O ATOM 1344 CB ALA A 86 1.399 5.337 -5.205 1.00 0.00 C ATOM 0 H ALA A 86 3.688 5.785 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 86 1.229 5.914 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.333 5.134 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.608 6.351 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.962 4.628 -5.812 1.00 0.00 H new ATOM 1350 N GLN A 87 2.218 2.818 -3.716 1.00 0.00 N ATOM 1351 CA GLN A 87 2.035 1.443 -3.283 1.00 0.00 C ATOM 1352 C GLN A 87 2.028 1.364 -1.755 1.00 0.00 C ATOM 1353 O GLN A 87 1.072 0.868 -1.160 1.00 0.00 O ATOM 1354 CB GLN A 87 3.115 0.534 -3.874 1.00 0.00 C ATOM 1355 CG GLN A 87 2.692 -0.002 -5.243 1.00 0.00 C ATOM 1356 CD GLN A 87 3.819 0.155 -6.265 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.909 1.138 -6.982 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.671 -0.865 -6.292 1.00 0.00 N ATOM 0 H GLN A 87 2.920 2.946 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 87 1.070 1.092 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.049 1.088 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.305 -0.298 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.418 -1.054 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.806 0.531 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.538 -1.658 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.458 -0.855 -6.941 1.00 0.00 H new ATOM 1367 N SER A 88 3.104 1.861 -1.163 1.00 0.00 N ATOM 1368 CA SER A 88 3.234 1.853 0.284 1.00 0.00 C ATOM 1369 C SER A 88 1.958 2.402 0.927 1.00 0.00 C ATOM 1370 O SER A 88 1.345 1.739 1.762 1.00 0.00 O ATOM 1371 CB SER A 88 4.448 2.668 0.733 1.00 0.00 C ATOM 1372 OG SER A 88 5.567 1.838 1.033 1.00 0.00 O ATOM 0 H SER A 88 3.894 2.272 -1.660 1.00 0.00 H new ATOM 0 HA SER A 88 3.383 0.823 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.721 3.374 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.185 3.255 1.613 1.00 0.00 H new ATOM 0 HG SER A 88 6.322 2.396 1.314 1.00 0.00 H new ATOM 1378 N CYS A 89 1.598 3.608 0.513 1.00 0.00 N ATOM 1379 CA CYS A 89 0.407 4.254 1.038 1.00 0.00 C ATOM 1380 C CYS A 89 -0.770 3.288 0.885 1.00 0.00 C ATOM 1381 O CYS A 89 -1.422 2.937 1.867 1.00 0.00 O ATOM 1382 CB CYS A 89 0.139 5.594 0.349 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.816 6.689 1.460 1.00 0.00 S ATOM 0 H CYS A 89 2.110 4.155 -0.180 1.00 0.00 H new ATOM 0 HA CYS A 89 0.551 4.486 2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.082 6.069 0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.412 5.432 -0.577 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.045 7.117 2.415 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.008 2.887 -0.356 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.095 1.969 -0.650 1.00 0.00 C ATOM 1391 C ALA A 90 -2.095 0.838 0.380 1.00 0.00 C ATOM 1392 O ALA A 90 -3.019 0.725 1.184 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.954 1.453 -2.083 1.00 0.00 C ATOM 0 H ALA A 90 -0.467 3.181 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.056 2.478 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.770 0.764 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.990 2.293 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.002 0.934 -2.191 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.047 0.028 0.322 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.914 -1.090 1.240 1.00 0.00 C ATOM 1401 C LEU A 91 -1.344 -0.649 2.641 1.00 0.00 C ATOM 1402 O LEU A 91 -1.968 -1.415 3.373 1.00 0.00 O ATOM 1403 CB LEU A 91 0.503 -1.664 1.184 1.00 0.00 C ATOM 1404 CG LEU A 91 0.783 -2.851 2.108 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.041 -4.073 1.695 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.280 -3.161 2.163 1.00 0.00 C ATOM 0 H LEU A 91 -0.283 0.124 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.575 -1.905 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.709 -1.971 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.206 -0.867 1.426 1.00 0.00 H new ATOM 0 HG LEU A 91 0.473 -2.580 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.177 -4.903 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.102 -3.831 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.215 -4.357 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.452 -4.009 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.638 -3.405 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.818 -2.291 2.539 1.00 0.00 H new ATOM 1418 N SER A 92 -0.992 0.585 2.971 1.00 0.00 N ATOM 1419 CA SER A 92 -1.333 1.138 4.271 1.00 0.00 C ATOM 1420 C SER A 92 -2.847 1.080 4.484 1.00 0.00 C ATOM 1421 O SER A 92 -3.318 0.515 5.470 1.00 0.00 O ATOM 1422 CB SER A 92 -0.833 2.577 4.406 1.00 0.00 C ATOM 1423 OG SER A 92 0.309 2.825 3.590 1.00 0.00 O ATOM 0 H SER A 92 -0.474 1.217 2.361 1.00 0.00 H new ATOM 0 HA SER A 92 -0.842 0.538 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.632 3.266 4.130 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.584 2.778 5.448 1.00 0.00 H new ATOM 0 HG SER A 92 0.765 1.979 3.399 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.567 1.672 3.543 1.00 0.00 N ATOM 1430 CA LEU A 93 -5.018 1.695 3.615 1.00 0.00 C ATOM 1431 C LEU A 93 -5.554 0.268 3.483 1.00 0.00 C ATOM 1432 O LEU A 93 -6.446 -0.135 4.228 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.591 2.665 2.579 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.123 4.117 2.689 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -5.119 4.583 4.146 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.759 4.306 2.023 1.00 0.00 C ATOM 0 H LEU A 93 -3.173 2.139 2.727 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.345 2.070 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.336 2.296 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.678 2.648 2.656 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.833 4.746 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.782 5.618 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.127 4.509 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.445 3.954 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.450 5.347 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.024 3.665 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.829 4.041 0.968 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.987 -0.457 2.530 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.396 -1.831 2.292 1.00 0.00 C ATOM 1450 C VAL A 94 -5.320 -2.616 3.603 1.00 0.00 C ATOM 1451 O VAL A 94 -6.347 -3.007 4.157 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.545 -2.444 1.178 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.002 -3.870 0.861 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.571 -1.569 -0.077 1.00 0.00 C ATOM 0 H VAL A 94 -4.248 -0.119 1.914 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.431 -1.868 1.951 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.515 -2.492 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.381 -4.283 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.908 -4.489 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.043 -3.855 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.958 -2.028 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.597 -1.474 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.177 -0.581 0.160 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.094 -2.823 4.061 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.871 -3.555 5.297 1.00 0.00 C ATOM 1466 C ARG A 95 -4.938 -3.189 6.331 1.00 0.00 C ATOM 1467 O ARG A 95 -5.647 -4.060 6.832 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.487 -3.252 5.874 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.461 -4.287 5.407 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.092 -4.024 6.038 1.00 0.00 C ATOM 1471 NE ARG A 95 0.957 -4.757 5.295 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.097 -6.090 5.311 1.00 0.00 C ATOM 1473 NH1 ARG A 95 0.255 -6.843 6.032 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.078 -6.669 4.606 1.00 0.00 N ATOM 0 H ARG A 95 -3.245 -2.497 3.599 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.932 -4.619 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.170 -2.256 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.536 -3.248 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.802 -5.288 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.377 -4.257 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.123 -2.955 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.097 -4.338 7.082 1.00 0.00 H new ATOM 0 HE ARG A 95 1.615 -4.214 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.492 -6.402 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.361 -7.857 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.718 -6.095 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.185 -7.683 4.618 1.00 0.00 H new ATOM 1488 N GLN A 96 -5.019 -1.898 6.619 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.987 -1.406 7.584 1.00 0.00 C ATOM 1490 C GLN A 96 -7.389 -1.906 7.232 1.00 0.00 C ATOM 1491 O GLN A 96 -8.042 -2.559 8.045 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.954 0.122 7.663 1.00 0.00 C ATOM 1493 CG GLN A 96 -5.144 0.591 8.874 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.725 0.989 8.463 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -2.752 0.321 8.769 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.663 2.113 7.755 1.00 0.00 N ATOM 0 H GLN A 96 -4.430 -1.178 6.201 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.720 -1.794 8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.518 0.528 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.971 0.508 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.642 1.440 9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.101 -0.205 9.618 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.518 2.624 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.761 2.464 7.433 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.811 -1.582 6.018 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.124 -1.991 5.549 1.00 0.00 C ATOM 1507 C LEU A 97 -9.397 -3.428 5.997 1.00 0.00 C ATOM 1508 O LEU A 97 -10.388 -3.693 6.675 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.240 -1.785 4.037 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.323 -0.334 3.561 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.933 -0.217 2.086 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.708 0.255 3.837 1.00 0.00 C ATOM 0 H LEU A 97 -7.267 -1.041 5.346 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.899 -1.367 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.380 -2.254 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.127 -2.313 3.686 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.604 0.254 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.001 0.825 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.911 -0.571 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.609 -0.822 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.740 1.287 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.463 -0.329 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.909 0.227 4.908 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.499 -4.318 5.600 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.630 -5.721 5.953 1.00 0.00 C ATOM 1526 C TYR A 98 -8.777 -5.895 7.466 1.00 0.00 C ATOM 1527 O TYR A 98 -9.705 -6.555 7.931 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.334 -6.394 5.497 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.003 -7.684 6.251 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.812 -8.792 6.108 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.897 -7.738 7.074 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.502 -10.007 6.818 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.586 -8.952 7.783 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.404 -10.026 7.620 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.110 -11.173 8.290 1.00 0.00 O ATOM 0 H TYR A 98 -7.678 -4.094 5.037 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.513 -6.154 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.407 -6.616 4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.509 -5.692 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.678 -8.749 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.265 -6.870 7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.127 -10.882 6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.723 -9.008 8.430 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.298 -11.041 8.823 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.847 -5.292 8.191 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.861 -5.372 9.642 1.00 0.00 C ATOM 1547 C HIS A 99 -9.266 -5.058 10.160 1.00 0.00 C ATOM 1548 O HIS A 99 -9.839 -5.836 10.921 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.790 -4.462 10.247 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.342 -3.357 11.115 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -8.192 -3.595 12.181 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -7.155 -2.006 11.066 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.498 -2.433 12.740 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.855 -1.450 12.047 1.00 0.00 N ATOM 0 H HIS A 99 -7.079 -4.746 7.801 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.613 -6.386 9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.105 -5.068 10.840 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.206 -4.019 9.440 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.542 -1.479 10.350 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.143 -2.290 13.594 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.904 -0.451 12.249 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.782 -3.917 9.725 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.109 -3.492 10.135 1.00 0.00 C ATOM 1564 C LEU A 100 -12.135 -4.534 9.687 1.00 0.00 C ATOM 1565 O LEU A 100 -12.999 -4.935 10.466 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.401 -2.080 9.622 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.569 -0.956 10.241 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.251 0.125 9.206 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.260 -0.379 11.478 1.00 0.00 C ATOM 0 H LEU A 100 -9.305 -3.274 9.093 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.171 -3.431 11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.246 -2.068 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.455 -1.863 9.795 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.619 -1.377 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.659 0.912 9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.687 -0.314 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.180 0.548 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.647 0.418 11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.234 0.022 11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.392 -1.165 12.221 1.00 0.00 H new ATOM 1581 N GLY A 101 -12.007 -4.942 8.433 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.913 -5.930 7.872 1.00 0.00 C ATOM 1583 C GLY A 101 -13.685 -5.354 6.683 1.00 0.00 C ATOM 1584 O GLY A 101 -14.897 -5.534 6.578 1.00 0.00 O ATOM 0 H GLY A 101 -11.290 -4.607 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.349 -6.807 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.613 -6.263 8.638 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.950 -4.672 5.816 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.550 -4.068 4.639 1.00 0.00 C ATOM 1590 C VAL A 102 -13.200 -4.905 3.407 1.00 0.00 C ATOM 1591 O VAL A 102 -14.062 -5.179 2.573 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.106 -2.609 4.516 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.899 -1.885 3.425 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.229 -1.883 5.857 1.00 0.00 C ATOM 0 H VAL A 102 -11.945 -4.525 5.906 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.636 -4.057 4.727 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.055 -2.602 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.564 -0.850 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.738 -2.381 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.961 -1.908 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.907 -0.848 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.267 -1.905 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.601 -2.378 6.598 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.934 -5.288 3.332 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.460 -6.089 2.216 1.00 0.00 C ATOM 1606 C ILE A 103 -11.348 -7.551 2.654 1.00 0.00 C ATOM 1607 O ILE A 103 -11.573 -7.872 3.819 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.157 -5.512 1.658 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.167 -5.205 2.784 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.430 -4.286 0.784 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.785 -4.867 2.222 1.00 0.00 C ATOM 0 H ILE A 103 -11.222 -5.059 4.026 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.174 -6.057 1.393 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.695 -6.265 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.536 -4.370 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.092 -6.064 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.487 -3.896 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.072 -4.569 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.925 -3.518 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.101 -4.653 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.409 -5.713 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.859 -3.993 1.574 1.00 0.00 H new ATOM 1623 N GLU A 104 -10.999 -8.397 1.695 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.855 -9.817 1.968 1.00 0.00 C ATOM 1625 C GLU A 104 -9.435 -10.280 1.633 1.00 0.00 C ATOM 1626 O GLU A 104 -8.795 -9.731 0.737 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.893 -10.632 1.195 1.00 0.00 C ATOM 1628 CG GLU A 104 -11.701 -10.474 -0.315 1.00 0.00 C ATOM 1629 CD GLU A 104 -12.871 -11.093 -1.084 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.894 -10.389 -1.223 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -12.714 -12.256 -1.515 1.00 0.00 O ATOM 0 H GLU A 104 -10.812 -8.127 0.729 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.030 -9.982 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.811 -11.684 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.896 -10.308 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.615 -9.417 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.769 -10.950 -0.619 1.00 0.00 H new