USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 53 SER OG : rot -140:sc= -0.111 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -7.44! C(o=-16!,f=-23!) USER MOD Set 2.2: A 46 GLN : amide:sc= -0.247 K(o=-16,f=-22!) USER MOD Set 2.3: A 60 MET CE :methyl -149:sc= -8.02! (180deg=-6.39!) USER MOD Single : A 21 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 43:sc= 0.52 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00848 X(o=-0.0085,f=-0.19) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 0.00191 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 25:sc= 0.554 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 138:sc= -1.95! (180deg=-4.98!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 76 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-4.1!) USER MOD Single : A 79 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 55:sc= -0.232 USER MOD Single : A 86 SER OG : rot 180:sc=-0.00782 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.017) USER MOD Single : A 98 SER OG : rot 120:sc= -0.25 USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= 0.188 (180deg=0.0514) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -0.374 5.549 -6.130 1.00 0.00 N ATOM 264 CA ASN A 21 -0.636 6.897 -5.655 1.00 0.00 C ATOM 265 C ASN A 21 -0.369 6.964 -4.150 1.00 0.00 C ATOM 266 O ASN A 21 0.393 7.813 -3.689 1.00 0.00 O ATOM 267 CB ASN A 21 -2.094 7.292 -5.895 1.00 0.00 C ATOM 268 CG ASN A 21 -2.205 8.762 -6.303 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.243 9.394 -6.709 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.427 9.269 -6.174 1.00 0.00 N ATOM 0 HA ASN A 21 0.016 7.579 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.521 6.661 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.675 7.118 -4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.604 10.243 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.188 8.684 -5.828 1.00 0.00 H new ATOM 277 N TYR A 22 -1.011 6.059 -3.427 1.00 0.00 N ATOM 278 CA TYR A 22 -0.852 6.005 -1.984 1.00 0.00 C ATOM 279 C TYR A 22 -1.201 4.615 -1.445 1.00 0.00 C ATOM 280 O TYR A 22 -2.206 4.027 -1.841 1.00 0.00 O ATOM 281 CB TYR A 22 -1.841 7.023 -1.412 1.00 0.00 C ATOM 282 CG TYR A 22 -3.286 6.808 -1.865 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.067 5.850 -1.251 1.00 0.00 C ATOM 284 CD2 TYR A 22 -3.810 7.573 -2.888 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.428 5.648 -1.677 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.170 7.371 -3.314 1.00 0.00 C ATOM 287 CZ TYR A 22 -5.912 6.418 -2.688 1.00 0.00 C ATOM 288 OH TYR A 22 -7.197 6.228 -3.090 1.00 0.00 O ATOM 0 H TYR A 22 -1.642 5.357 -3.813 1.00 0.00 H new ATOM 0 HA TYR A 22 0.179 6.220 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.802 6.980 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.525 8.025 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.657 5.251 -0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.199 8.323 -3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.050 4.902 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.592 7.963 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.407 6.848 -3.819 1.00 0.00 H new ATOM 298 N THR A 23 -0.351 4.131 -0.552 1.00 0.00 N ATOM 299 CA THR A 23 -0.557 2.822 0.045 1.00 0.00 C ATOM 300 C THR A 23 -1.470 2.931 1.267 1.00 0.00 C ATOM 301 O THR A 23 -1.392 3.899 2.021 1.00 0.00 O ATOM 302 CB THR A 23 0.816 2.227 0.363 1.00 0.00 C ATOM 303 OG1 THR A 23 1.601 3.352 0.751 1.00 0.00 O ATOM 304 CG2 THR A 23 1.525 1.690 -0.882 1.00 0.00 C ATOM 0 H THR A 23 0.482 4.622 -0.227 1.00 0.00 H new ATOM 0 HA THR A 23 -1.068 2.149 -0.643 1.00 0.00 H new ATOM 0 HB THR A 23 0.703 1.424 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.075 3.930 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.494 1.279 -0.600 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.918 0.908 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.668 2.500 -1.597 1.00 0.00 H new ATOM 312 N TRP A 24 -2.316 1.924 1.425 1.00 0.00 N ATOM 313 CA TRP A 24 -3.244 1.894 2.542 1.00 0.00 C ATOM 314 C TRP A 24 -3.564 0.430 2.853 1.00 0.00 C ATOM 315 O TRP A 24 -3.370 -0.444 2.009 1.00 0.00 O ATOM 316 CB TRP A 24 -4.492 2.727 2.242 1.00 0.00 C ATOM 317 CG TRP A 24 -5.538 1.999 1.396 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.599 1.906 0.060 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.677 1.261 1.885 1.00 0.00 C ATOM 320 NE1 TRP A 24 -6.690 1.165 -0.345 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.367 0.760 0.800 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.111 1.025 3.201 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.531 -0.008 0.919 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.276 0.255 3.304 1.00 0.00 C ATOM 325 CH2 TRP A 24 -8.982 -0.256 2.221 1.00 0.00 C ATOM 0 H TRP A 24 -2.378 1.122 0.797 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.796 2.348 3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.949 3.030 3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.192 3.639 1.725 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.884 2.355 -0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.952 0.953 -1.308 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.587 1.407 4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.053 -0.389 0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.652 0.043 4.294 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.875 -0.842 2.383 1.00 0.00 H new ATOM 336 N SER A 25 -4.048 0.207 4.066 1.00 0.00 N ATOM 337 CA SER A 25 -4.396 -1.136 4.497 1.00 0.00 C ATOM 338 C SER A 25 -5.575 -1.083 5.471 1.00 0.00 C ATOM 339 O SER A 25 -5.880 -0.028 6.026 1.00 0.00 O ATOM 340 CB SER A 25 -3.200 -1.832 5.150 1.00 0.00 C ATOM 341 OG SER A 25 -2.091 -1.932 4.261 1.00 0.00 O ATOM 0 H SER A 25 -4.207 0.934 4.764 1.00 0.00 H new ATOM 0 HA SER A 25 -4.683 -1.714 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.902 -1.280 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.495 -2.829 5.476 1.00 0.00 H new ATOM 0 HG SER A 25 -1.347 -2.380 4.715 1.00 0.00 H new ATOM 347 N GLN A 26 -6.207 -2.234 5.648 1.00 0.00 N ATOM 348 CA GLN A 26 -7.346 -2.332 6.545 1.00 0.00 C ATOM 349 C GLN A 26 -7.048 -3.319 7.676 1.00 0.00 C ATOM 350 O GLN A 26 -6.593 -4.434 7.427 1.00 0.00 O ATOM 351 CB GLN A 26 -8.610 -2.736 5.784 1.00 0.00 C ATOM 352 CG GLN A 26 -9.778 -2.968 6.744 1.00 0.00 C ATOM 353 CD GLN A 26 -10.940 -3.668 6.036 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.774 -4.666 5.354 1.00 0.00 O ATOM 355 NE2 GLN A 26 -12.122 -3.090 6.235 1.00 0.00 N ATOM 0 H GLN A 26 -5.952 -3.107 5.186 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.524 -1.350 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.872 -1.957 5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.419 -3.644 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.445 -3.572 7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.116 -2.014 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.190 -2.256 6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.960 -3.481 5.805 1.00 0.00 H new ATOM 364 N ASP A 27 -7.317 -2.873 8.894 1.00 0.00 N ATOM 365 CA ASP A 27 -7.083 -3.703 10.063 1.00 0.00 C ATOM 366 C ASP A 27 -8.414 -3.968 10.769 1.00 0.00 C ATOM 367 O ASP A 27 -9.460 -3.492 10.330 1.00 0.00 O ATOM 368 CB ASP A 27 -6.152 -3.005 11.057 1.00 0.00 C ATOM 369 CG ASP A 27 -4.745 -2.716 10.531 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.622 -2.556 9.297 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.824 -2.661 11.374 1.00 0.00 O ATOM 0 H ASP A 27 -7.695 -1.947 9.097 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.623 -4.633 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.610 -2.064 11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.070 -3.624 11.951 1.00 0.00 H new ATOM 376 N TYR A 28 -8.332 -4.728 11.852 1.00 0.00 N ATOM 377 CA TYR A 28 -9.517 -5.062 12.623 1.00 0.00 C ATOM 378 C TYR A 28 -10.459 -3.861 12.731 1.00 0.00 C ATOM 379 O TYR A 28 -11.612 -3.931 12.309 1.00 0.00 O ATOM 380 CB TYR A 28 -9.020 -5.432 14.022 1.00 0.00 C ATOM 381 CG TYR A 28 -10.027 -6.235 14.848 1.00 0.00 C ATOM 382 CD1 TYR A 28 -11.172 -5.628 15.321 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.790 -7.567 15.120 1.00 0.00 C ATOM 384 CE1 TYR A 28 -12.120 -6.383 16.098 1.00 0.00 C ATOM 385 CE2 TYR A 28 -10.737 -8.323 15.898 1.00 0.00 C ATOM 386 CZ TYR A 28 -11.855 -7.694 16.349 1.00 0.00 C ATOM 387 OH TYR A 28 -12.750 -8.408 17.083 1.00 0.00 O ATOM 0 H TYR A 28 -7.463 -5.122 12.213 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.068 -5.873 12.146 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.100 -6.009 13.929 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.770 -4.518 14.561 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.357 -4.586 15.108 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.894 -8.043 14.749 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.021 -5.920 16.473 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.563 -9.366 16.118 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.431 -9.329 17.182 1.00 0.00 H new ATOM 397 N THR A 29 -9.931 -2.786 13.298 1.00 0.00 N ATOM 398 CA THR A 29 -10.710 -1.570 13.466 1.00 0.00 C ATOM 399 C THR A 29 -9.795 -0.344 13.445 1.00 0.00 C ATOM 400 O THR A 29 -9.525 0.252 14.487 1.00 0.00 O ATOM 401 CB THR A 29 -11.519 -1.703 14.758 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.212 -0.462 14.862 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.632 -1.739 16.004 1.00 0.00 C ATOM 0 H THR A 29 -8.974 -2.731 13.647 1.00 0.00 H new ATOM 0 HA THR A 29 -11.408 -1.429 12.641 1.00 0.00 H new ATOM 0 HB THR A 29 -12.123 -2.610 14.716 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.763 -0.462 15.672 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.256 -1.834 16.892 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.954 -2.591 15.944 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.052 -0.818 16.065 1.00 0.00 H new ATOM 411 N ASP A 30 -9.344 -0.003 12.247 1.00 0.00 N ATOM 412 CA ASP A 30 -8.465 1.142 12.077 1.00 0.00 C ATOM 413 C ASP A 30 -7.833 1.091 10.684 1.00 0.00 C ATOM 414 O ASP A 30 -7.503 0.015 10.188 1.00 0.00 O ATOM 415 CB ASP A 30 -7.337 1.129 13.109 1.00 0.00 C ATOM 416 CG ASP A 30 -7.297 2.343 14.039 1.00 0.00 C ATOM 417 OD1 ASP A 30 -8.162 2.397 14.940 1.00 0.00 O ATOM 418 OD2 ASP A 30 -6.402 3.190 13.829 1.00 0.00 O ATOM 0 H ASP A 30 -9.570 -0.499 11.385 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.060 2.046 12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.431 0.228 13.716 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.385 1.062 12.583 1.00 0.00 H new ATOM 423 N LEU A 31 -7.683 2.268 10.094 1.00 0.00 N ATOM 424 CA LEU A 31 -7.096 2.371 8.769 1.00 0.00 C ATOM 425 C LEU A 31 -5.758 3.106 8.865 1.00 0.00 C ATOM 426 O LEU A 31 -5.555 3.920 9.765 1.00 0.00 O ATOM 427 CB LEU A 31 -8.084 3.015 7.794 1.00 0.00 C ATOM 428 CG LEU A 31 -9.479 2.389 7.741 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.514 3.299 8.406 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.866 2.034 6.304 1.00 0.00 C ATOM 0 H LEU A 31 -7.958 3.158 10.509 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.887 1.380 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.190 4.067 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.653 2.978 6.794 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.458 1.458 8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.497 2.831 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.242 3.458 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.542 4.258 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.862 1.591 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.865 2.937 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.148 1.321 5.899 1.00 0.00 H new ATOM 442 N GLU A 32 -4.879 2.794 7.924 1.00 0.00 N ATOM 443 CA GLU A 32 -3.566 3.416 7.890 1.00 0.00 C ATOM 444 C GLU A 32 -3.071 3.535 6.447 1.00 0.00 C ATOM 445 O GLU A 32 -2.889 2.528 5.765 1.00 0.00 O ATOM 446 CB GLU A 32 -2.568 2.636 8.749 1.00 0.00 C ATOM 447 CG GLU A 32 -1.971 3.526 9.841 1.00 0.00 C ATOM 448 CD GLU A 32 -0.880 2.785 10.616 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.198 1.700 11.147 1.00 0.00 O ATOM 450 OE2 GLU A 32 0.249 3.322 10.660 1.00 0.00 O ATOM 0 H GLU A 32 -5.050 2.119 7.179 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.650 4.419 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.066 1.780 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.770 2.243 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.555 4.428 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.757 3.844 10.526 1.00 0.00 H new ATOM 457 N VAL A 33 -2.868 4.774 6.026 1.00 0.00 N ATOM 458 CA VAL A 33 -2.398 5.038 4.676 1.00 0.00 C ATOM 459 C VAL A 33 -1.109 5.860 4.741 1.00 0.00 C ATOM 460 O VAL A 33 -1.047 6.868 5.443 1.00 0.00 O ATOM 461 CB VAL A 33 -3.500 5.718 3.862 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.397 6.573 4.759 1.00 0.00 C ATOM 463 CG2 VAL A 33 -2.907 6.551 2.724 1.00 0.00 C ATOM 0 H VAL A 33 -3.020 5.607 6.595 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.163 4.105 4.164 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.118 4.938 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.172 7.045 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.862 5.942 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.798 7.342 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.712 7.023 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.254 7.319 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.332 5.904 2.061 1.00 0.00 H new ATOM 473 N ARG A 34 -0.113 5.399 3.999 1.00 0.00 N ATOM 474 CA ARG A 34 1.170 6.079 3.964 1.00 0.00 C ATOM 475 C ARG A 34 1.434 6.642 2.566 1.00 0.00 C ATOM 476 O ARG A 34 1.276 5.939 1.569 1.00 0.00 O ATOM 477 CB ARG A 34 2.308 5.130 4.347 1.00 0.00 C ATOM 478 CG ARG A 34 2.513 5.105 5.863 1.00 0.00 C ATOM 479 CD ARG A 34 3.822 4.402 6.227 1.00 0.00 C ATOM 480 NE ARG A 34 4.271 4.831 7.571 1.00 0.00 N ATOM 481 CZ ARG A 34 3.862 4.266 8.715 1.00 0.00 C ATOM 482 NH1 ARG A 34 2.993 3.246 8.686 1.00 0.00 N ATOM 483 NH2 ARG A 34 4.321 4.721 9.889 1.00 0.00 N ATOM 0 H ARG A 34 -0.169 4.563 3.417 1.00 0.00 H new ATOM 0 HA ARG A 34 1.133 6.894 4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.084 4.125 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.229 5.444 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.524 6.124 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.676 4.593 6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.681 3.321 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.588 4.635 5.487 1.00 0.00 H new ATOM 0 HE ARG A 34 4.933 5.605 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.643 2.900 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.682 2.816 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.982 5.498 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.009 4.291 10.760 1.00 0.00 H new ATOM 497 N VAL A 35 1.832 7.906 2.537 1.00 0.00 N ATOM 498 CA VAL A 35 2.120 8.571 1.277 1.00 0.00 C ATOM 499 C VAL A 35 3.616 8.883 1.200 1.00 0.00 C ATOM 500 O VAL A 35 4.191 9.422 2.144 1.00 0.00 O ATOM 501 CB VAL A 35 1.241 9.815 1.130 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.492 10.507 -0.211 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.238 9.464 1.298 1.00 0.00 C ATOM 0 H VAL A 35 1.962 8.487 3.365 1.00 0.00 H new ATOM 0 HA VAL A 35 1.881 7.919 0.437 1.00 0.00 H new ATOM 0 HB VAL A 35 1.511 10.513 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.855 11.388 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.538 10.808 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.262 9.819 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.841 10.366 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.529 8.739 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.400 9.037 2.287 1.00 0.00 H new ATOM 513 N PRO A 36 4.219 8.522 0.036 1.00 0.00 N ATOM 514 CA PRO A 36 5.637 8.757 -0.177 1.00 0.00 C ATOM 515 C PRO A 36 5.911 10.237 -0.454 1.00 0.00 C ATOM 516 O PRO A 36 5.133 10.898 -1.140 1.00 0.00 O ATOM 517 CB PRO A 36 6.015 7.855 -1.341 1.00 0.00 C ATOM 518 CG PRO A 36 4.710 7.499 -2.034 1.00 0.00 C ATOM 519 CD PRO A 36 3.569 7.881 -1.104 1.00 0.00 C ATOM 0 HA PRO A 36 6.239 8.524 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.694 8.364 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.528 6.959 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.624 8.030 -2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.677 6.433 -2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.869 8.558 -1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.000 7.004 -0.794 1.00 0.00 H new ATOM 527 N VAL A 37 7.019 10.713 0.094 1.00 0.00 N ATOM 528 CA VAL A 37 7.406 12.102 -0.085 1.00 0.00 C ATOM 529 C VAL A 37 8.837 12.163 -0.622 1.00 0.00 C ATOM 530 O VAL A 37 9.603 11.213 -0.469 1.00 0.00 O ATOM 531 CB VAL A 37 7.226 12.868 1.227 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.776 12.799 1.708 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.186 12.350 2.300 1.00 0.00 C ATOM 0 H VAL A 37 7.661 10.161 0.663 1.00 0.00 H new ATOM 0 HA VAL A 37 6.763 12.587 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 37 7.466 13.915 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.676 13.352 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.122 13.238 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.496 11.758 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.038 12.911 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.991 11.293 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.214 12.476 1.960 1.00 0.00 H new ATOM 543 N PRO A 38 9.164 13.321 -1.257 1.00 0.00 N ATOM 544 CA PRO A 38 10.490 13.518 -1.818 1.00 0.00 C ATOM 545 C PRO A 38 11.516 13.793 -0.716 1.00 0.00 C ATOM 546 O PRO A 38 11.162 13.877 0.459 1.00 0.00 O ATOM 547 CB PRO A 38 10.337 14.677 -2.789 1.00 0.00 C ATOM 548 CG PRO A 38 9.050 15.384 -2.396 1.00 0.00 C ATOM 549 CD PRO A 38 8.283 14.468 -1.457 1.00 0.00 C ATOM 0 HA PRO A 38 10.866 12.633 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.189 15.354 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.288 14.320 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.270 16.333 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.454 15.610 -3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.060 14.965 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.330 14.165 -1.890 1.00 0.00 H new ATOM 557 N LYS A 39 12.766 13.925 -1.135 1.00 0.00 N ATOM 558 CA LYS A 39 13.845 14.188 -0.199 1.00 0.00 C ATOM 559 C LYS A 39 13.931 15.693 0.064 1.00 0.00 C ATOM 560 O LYS A 39 14.884 16.166 0.681 1.00 0.00 O ATOM 561 CB LYS A 39 15.153 13.577 -0.704 1.00 0.00 C ATOM 562 CG LYS A 39 14.926 12.163 -1.243 1.00 0.00 C ATOM 563 CD LYS A 39 14.950 11.134 -0.112 1.00 0.00 C ATOM 564 CE LYS A 39 14.086 9.919 -0.457 1.00 0.00 C ATOM 565 NZ LYS A 39 13.189 9.585 0.672 1.00 0.00 N ATOM 0 H LYS A 39 13.055 13.855 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 39 13.644 13.707 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.573 14.206 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.882 13.549 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.968 12.117 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.696 11.921 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.976 10.815 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.589 11.592 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.496 10.127 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.723 9.065 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.948 8.574 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.669 9.795 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.319 10.151 0.603 1.00 0.00 H new ATOM 579 N HIS A 40 12.921 16.404 -0.416 1.00 0.00 N ATOM 580 CA HIS A 40 12.870 17.845 -0.240 1.00 0.00 C ATOM 581 C HIS A 40 11.735 18.205 0.721 1.00 0.00 C ATOM 582 O HIS A 40 11.549 19.374 1.057 1.00 0.00 O ATOM 583 CB HIS A 40 12.750 18.553 -1.591 1.00 0.00 C ATOM 584 CG HIS A 40 11.373 18.476 -2.205 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.118 17.819 -3.396 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.179 18.980 -1.780 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.826 17.929 -3.667 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.246 18.649 -2.664 1.00 0.00 N ATOM 0 H HIS A 40 12.132 16.009 -0.927 1.00 0.00 H new ATOM 0 HA HIS A 40 13.801 18.194 0.206 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.023 19.601 -1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.470 18.117 -2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.020 19.551 -0.877 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.321 17.521 -4.530 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.257 18.893 -2.603 1.00 0.00 H new ATOM 596 N VAL A 41 11.005 17.180 1.135 1.00 0.00 N ATOM 597 CA VAL A 41 9.893 17.374 2.050 1.00 0.00 C ATOM 598 C VAL A 41 10.317 16.949 3.457 1.00 0.00 C ATOM 599 O VAL A 41 10.527 15.765 3.716 1.00 0.00 O ATOM 600 CB VAL A 41 8.662 16.620 1.544 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.645 16.413 2.669 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.025 17.345 0.356 1.00 0.00 C ATOM 0 H VAL A 41 11.162 16.212 0.854 1.00 0.00 H new ATOM 0 HA VAL A 41 9.616 18.427 2.097 1.00 0.00 H new ATOM 0 HB VAL A 41 8.988 15.638 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.780 15.875 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.103 15.835 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.327 17.382 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.152 16.788 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.720 18.346 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.748 17.418 -0.456 1.00 0.00 H new ATOM 612 N VAL A 42 10.430 17.940 4.330 1.00 0.00 N ATOM 613 CA VAL A 42 10.825 17.684 5.705 1.00 0.00 C ATOM 614 C VAL A 42 9.893 18.446 6.649 1.00 0.00 C ATOM 615 O VAL A 42 9.473 17.914 7.676 1.00 0.00 O ATOM 616 CB VAL A 42 12.299 18.044 5.901 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.205 17.100 5.109 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.563 19.503 5.523 1.00 0.00 C ATOM 0 H VAL A 42 10.255 18.921 4.112 1.00 0.00 H new ATOM 0 HA VAL A 42 10.729 16.624 5.939 1.00 0.00 H new ATOM 0 HB VAL A 42 12.534 17.924 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.247 17.379 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.048 16.076 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.967 17.172 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.618 19.732 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.301 19.661 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.958 20.157 6.151 1.00 0.00 H new ATOM 628 N LYS A 43 9.596 19.680 6.268 1.00 0.00 N ATOM 629 CA LYS A 43 8.721 20.520 7.068 1.00 0.00 C ATOM 630 C LYS A 43 7.264 20.204 6.724 1.00 0.00 C ATOM 631 O LYS A 43 6.881 20.215 5.555 1.00 0.00 O ATOM 632 CB LYS A 43 9.088 21.995 6.893 1.00 0.00 C ATOM 633 CG LYS A 43 10.430 22.308 7.557 1.00 0.00 C ATOM 634 CD LYS A 43 10.231 23.106 8.847 1.00 0.00 C ATOM 635 CE LYS A 43 11.309 22.762 9.877 1.00 0.00 C ATOM 636 NZ LYS A 43 11.330 23.768 10.962 1.00 0.00 N ATOM 0 H LYS A 43 9.946 20.118 5.416 1.00 0.00 H new ATOM 0 HA LYS A 43 8.852 20.306 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.138 22.238 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.309 22.621 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.956 21.379 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.057 22.874 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.261 24.173 8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.246 22.894 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.119 21.773 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.284 22.722 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.067 23.519 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.533 24.706 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.404 23.787 11.436 1.00 0.00 H new ATOM 650 N GLY A 44 6.490 19.930 7.764 1.00 0.00 N ATOM 651 CA GLY A 44 5.083 19.611 7.587 1.00 0.00 C ATOM 652 C GLY A 44 4.390 20.658 6.712 1.00 0.00 C ATOM 653 O GLY A 44 3.428 20.347 6.011 1.00 0.00 O ATOM 0 H GLY A 44 6.810 19.922 8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.984 18.626 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.592 19.562 8.559 1.00 0.00 H new ATOM 657 N LYS A 45 4.905 21.876 6.782 1.00 0.00 N ATOM 658 CA LYS A 45 4.348 22.970 6.006 1.00 0.00 C ATOM 659 C LYS A 45 4.524 22.673 4.515 1.00 0.00 C ATOM 660 O LYS A 45 3.922 23.335 3.671 1.00 0.00 O ATOM 661 CB LYS A 45 4.958 24.304 6.443 1.00 0.00 C ATOM 662 CG LYS A 45 6.361 24.483 5.858 1.00 0.00 C ATOM 663 CD LYS A 45 7.060 25.696 6.473 1.00 0.00 C ATOM 664 CE LYS A 45 7.322 25.480 7.965 1.00 0.00 C ATOM 665 NZ LYS A 45 6.544 26.445 8.773 1.00 0.00 N ATOM 0 H LYS A 45 5.703 22.130 7.365 1.00 0.00 H new ATOM 0 HA LYS A 45 3.277 23.060 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.318 25.124 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.005 24.347 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.953 23.586 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.295 24.606 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.003 25.877 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.444 26.585 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.051 24.462 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.385 25.596 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.734 26.284 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.822 27.414 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.529 26.315 8.586 1.00 0.00 H new ATOM 679 N GLN A 46 5.352 21.677 4.236 1.00 0.00 N ATOM 680 CA GLN A 46 5.615 21.285 2.862 1.00 0.00 C ATOM 681 C GLN A 46 4.481 20.402 2.337 1.00 0.00 C ATOM 682 O GLN A 46 4.372 20.177 1.132 1.00 0.00 O ATOM 683 CB GLN A 46 6.964 20.573 2.744 1.00 0.00 C ATOM 684 CG GLN A 46 8.111 21.501 3.147 1.00 0.00 C ATOM 685 CD GLN A 46 9.452 20.969 2.638 1.00 0.00 C ATOM 686 OE1 GLN A 46 10.399 20.784 3.384 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.479 20.733 1.330 1.00 0.00 N ATOM 0 H GLN A 46 5.850 21.130 4.938 1.00 0.00 H new ATOM 0 HA GLN A 46 5.662 22.185 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.968 19.687 3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.111 20.232 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.935 22.498 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.142 21.596 4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.650 20.910 0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.329 20.375 0.894 1.00 0.00 H new ATOM 696 N VAL A 47 3.666 19.925 3.266 1.00 0.00 N ATOM 697 CA VAL A 47 2.544 19.072 2.911 1.00 0.00 C ATOM 698 C VAL A 47 1.271 19.613 3.564 1.00 0.00 C ATOM 699 O VAL A 47 1.336 20.319 4.569 1.00 0.00 O ATOM 700 CB VAL A 47 2.845 17.623 3.300 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.525 16.877 2.150 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.695 17.562 4.571 1.00 0.00 C ATOM 0 H VAL A 47 3.760 20.113 4.264 1.00 0.00 H new ATOM 0 HA VAL A 47 2.385 19.079 1.833 1.00 0.00 H new ATOM 0 HB VAL A 47 1.896 17.128 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.728 15.850 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.870 16.876 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.462 17.373 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.895 16.521 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.638 18.082 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.158 18.040 5.391 1.00 0.00 H new ATOM 712 N SER A 48 0.142 19.262 2.965 1.00 0.00 N ATOM 713 CA SER A 48 -1.145 19.704 3.475 1.00 0.00 C ATOM 714 C SER A 48 -1.987 18.496 3.889 1.00 0.00 C ATOM 715 O SER A 48 -1.989 17.473 3.205 1.00 0.00 O ATOM 716 CB SER A 48 -1.892 20.541 2.435 1.00 0.00 C ATOM 717 OG SER A 48 -1.045 21.506 1.818 1.00 0.00 O ATOM 0 H SER A 48 0.092 18.677 2.131 1.00 0.00 H new ATOM 0 HA SER A 48 -0.969 20.332 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.309 19.884 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.731 21.047 2.912 1.00 0.00 H new ATOM 0 HG SER A 48 -1.559 22.019 1.159 1.00 0.00 H new ATOM 723 N VAL A 49 -2.681 18.653 5.006 1.00 0.00 N ATOM 724 CA VAL A 49 -3.525 17.587 5.519 1.00 0.00 C ATOM 725 C VAL A 49 -4.852 18.179 5.999 1.00 0.00 C ATOM 726 O VAL A 49 -4.869 19.210 6.670 1.00 0.00 O ATOM 727 CB VAL A 49 -2.786 16.814 6.613 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.748 15.920 7.398 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.635 15.996 6.023 1.00 0.00 C ATOM 0 H VAL A 49 -2.676 19.502 5.571 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.754 16.870 4.731 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.361 17.539 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.197 15.382 8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.518 16.535 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.215 15.205 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.126 15.456 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.029 15.284 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.929 16.664 5.530 1.00 0.00 H new ATOM 739 N ALA A 50 -5.932 17.503 5.634 1.00 0.00 N ATOM 740 CA ALA A 50 -7.260 17.949 6.019 1.00 0.00 C ATOM 741 C ALA A 50 -8.053 16.761 6.567 1.00 0.00 C ATOM 742 O ALA A 50 -8.201 15.744 5.891 1.00 0.00 O ATOM 743 CB ALA A 50 -7.946 18.605 4.819 1.00 0.00 C ATOM 0 H ALA A 50 -5.914 16.650 5.076 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.200 18.698 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.942 18.940 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.358 19.460 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.027 17.883 4.007 1.00 0.00 H new ATOM 749 N LEU A 51 -8.543 16.930 7.786 1.00 0.00 N ATOM 750 CA LEU A 51 -9.318 15.884 8.433 1.00 0.00 C ATOM 751 C LEU A 51 -10.684 16.443 8.836 1.00 0.00 C ATOM 752 O LEU A 51 -10.768 17.360 9.651 1.00 0.00 O ATOM 753 CB LEU A 51 -8.534 15.278 9.598 1.00 0.00 C ATOM 754 CG LEU A 51 -7.194 14.631 9.240 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.384 14.316 10.499 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.400 13.393 8.366 1.00 0.00 C ATOM 0 H LEU A 51 -8.419 17.775 8.343 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.500 15.062 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.352 16.061 10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.160 14.527 10.080 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.615 15.345 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.437 13.857 10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.191 15.238 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.946 13.628 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.433 12.952 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.007 12.665 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.907 13.678 7.445 1.00 0.00 H new ATOM 768 N SER A 52 -11.721 15.867 8.245 1.00 0.00 N ATOM 769 CA SER A 52 -13.079 16.296 8.532 1.00 0.00 C ATOM 770 C SER A 52 -13.895 15.122 9.077 1.00 0.00 C ATOM 771 O SER A 52 -14.338 15.149 10.224 1.00 0.00 O ATOM 772 CB SER A 52 -13.750 16.874 7.284 1.00 0.00 C ATOM 773 OG SER A 52 -14.278 18.177 7.517 1.00 0.00 O ATOM 0 H SER A 52 -11.648 15.107 7.569 1.00 0.00 H new ATOM 0 HA SER A 52 -13.037 17.082 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.026 16.916 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.552 16.210 6.963 1.00 0.00 H new ATOM 0 HG SER A 52 -14.696 18.512 6.697 1.00 0.00 H new ATOM 779 N SER A 53 -14.069 14.119 8.229 1.00 0.00 N ATOM 780 CA SER A 53 -14.823 12.938 8.611 1.00 0.00 C ATOM 781 C SER A 53 -14.941 11.984 7.421 1.00 0.00 C ATOM 782 O SER A 53 -14.620 10.802 7.534 1.00 0.00 O ATOM 783 CB SER A 53 -16.213 13.315 9.128 1.00 0.00 C ATOM 784 OG SER A 53 -16.977 14.010 8.146 1.00 0.00 O ATOM 0 H SER A 53 -13.700 14.100 7.278 1.00 0.00 H new ATOM 0 HA SER A 53 -14.288 12.438 9.418 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.745 12.413 9.429 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.113 13.938 10.017 1.00 0.00 H new ATOM 0 HG SER A 53 -17.480 14.734 8.575 1.00 0.00 H new ATOM 790 N SER A 54 -15.401 12.533 6.306 1.00 0.00 N ATOM 791 CA SER A 54 -15.565 11.746 5.096 1.00 0.00 C ATOM 792 C SER A 54 -14.778 12.381 3.948 1.00 0.00 C ATOM 793 O SER A 54 -15.221 12.359 2.801 1.00 0.00 O ATOM 794 CB SER A 54 -17.042 11.616 4.719 1.00 0.00 C ATOM 795 OG SER A 54 -17.382 10.284 4.344 1.00 0.00 O ATOM 0 H SER A 54 -15.665 13.514 6.216 1.00 0.00 H new ATOM 0 HA SER A 54 -15.177 10.745 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.660 11.924 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.267 12.293 3.895 1.00 0.00 H new ATOM 0 HG SER A 54 -16.756 9.657 4.763 1.00 0.00 H new ATOM 801 N SER A 55 -13.625 12.932 4.297 1.00 0.00 N ATOM 802 CA SER A 55 -12.772 13.573 3.310 1.00 0.00 C ATOM 803 C SER A 55 -11.328 13.615 3.815 1.00 0.00 C ATOM 804 O SER A 55 -11.090 13.732 5.016 1.00 0.00 O ATOM 805 CB SER A 55 -13.265 14.985 2.990 1.00 0.00 C ATOM 806 OG SER A 55 -14.056 15.526 4.045 1.00 0.00 O ATOM 0 H SER A 55 -13.261 12.948 5.250 1.00 0.00 H new ATOM 0 HA SER A 55 -12.811 12.988 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.409 15.635 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.851 14.965 2.071 1.00 0.00 H new ATOM 0 HG SER A 55 -14.350 16.429 3.803 1.00 0.00 H new ATOM 812 N ILE A 56 -10.403 13.519 2.872 1.00 0.00 N ATOM 813 CA ILE A 56 -8.989 13.545 3.206 1.00 0.00 C ATOM 814 C ILE A 56 -8.227 14.310 2.121 1.00 0.00 C ATOM 815 O ILE A 56 -8.639 14.326 0.962 1.00 0.00 O ATOM 816 CB ILE A 56 -8.467 12.126 3.439 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.118 12.150 4.161 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.401 11.343 2.126 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.992 12.548 3.206 1.00 0.00 C ATOM 0 H ILE A 56 -10.605 13.423 1.877 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.829 14.077 4.144 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.171 11.606 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.159 12.853 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.910 11.167 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.027 10.338 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.398 11.281 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.732 11.852 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.044 12.557 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.938 11.829 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.190 13.541 2.804 1.00 0.00 H new ATOM 831 N ARG A 57 -7.129 14.925 2.536 1.00 0.00 N ATOM 832 CA ARG A 57 -6.306 15.689 1.614 1.00 0.00 C ATOM 833 C ARG A 57 -4.823 15.454 1.906 1.00 0.00 C ATOM 834 O ARG A 57 -4.393 15.533 3.056 1.00 0.00 O ATOM 835 CB ARG A 57 -6.608 17.186 1.717 1.00 0.00 C ATOM 836 CG ARG A 57 -6.652 17.833 0.332 1.00 0.00 C ATOM 837 CD ARG A 57 -5.999 19.217 0.352 1.00 0.00 C ATOM 838 NE ARG A 57 -6.029 19.811 -1.003 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.231 20.810 -1.403 1.00 0.00 C ATOM 840 NH1 ARG A 57 -4.336 21.334 -0.555 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.329 21.286 -2.652 1.00 0.00 N ATOM 0 H ARG A 57 -6.790 14.910 3.498 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.539 15.351 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.563 17.334 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.846 17.673 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.139 17.195 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.687 17.920 -0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.523 19.865 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.969 19.137 0.700 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.699 19.436 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.262 20.972 0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.729 22.095 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.011 20.888 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.722 22.047 -2.957 1.00 0.00 H new ATOM 855 N VAL A 58 -4.081 15.170 0.846 1.00 0.00 N ATOM 856 CA VAL A 58 -2.655 14.923 0.974 1.00 0.00 C ATOM 857 C VAL A 58 -1.923 15.558 -0.209 1.00 0.00 C ATOM 858 O VAL A 58 -1.964 15.036 -1.322 1.00 0.00 O ATOM 859 CB VAL A 58 -2.394 13.421 1.102 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.953 13.150 1.540 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.391 12.771 2.063 1.00 0.00 C ATOM 0 H VAL A 58 -4.441 15.105 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.267 15.386 1.882 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.535 12.972 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.794 12.075 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.265 13.562 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.772 13.619 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.183 11.703 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.297 13.227 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.405 12.919 1.690 1.00 0.00 H new ATOM 871 N ALA A 59 -1.271 16.677 0.071 1.00 0.00 N ATOM 872 CA ALA A 59 -0.530 17.389 -0.956 1.00 0.00 C ATOM 873 C ALA A 59 0.877 17.700 -0.442 1.00 0.00 C ATOM 874 O ALA A 59 1.105 17.740 0.766 1.00 0.00 O ATOM 875 CB ALA A 59 -1.298 18.651 -1.356 1.00 0.00 C ATOM 0 H ALA A 59 -1.241 17.108 0.995 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.425 16.774 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.743 19.186 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.279 18.373 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.420 19.294 -0.484 1.00 0.00 H new ATOM 881 N MET A 60 1.783 17.914 -1.385 1.00 0.00 N ATOM 882 CA MET A 60 3.161 18.220 -1.042 1.00 0.00 C ATOM 883 C MET A 60 3.717 19.326 -1.942 1.00 0.00 C ATOM 884 O MET A 60 3.390 19.391 -3.126 1.00 0.00 O ATOM 885 CB MET A 60 4.017 16.961 -1.193 1.00 0.00 C ATOM 886 CG MET A 60 3.941 16.414 -2.620 1.00 0.00 C ATOM 887 SD MET A 60 5.573 15.976 -3.194 1.00 0.00 S ATOM 888 CE MET A 60 6.395 17.552 -3.025 1.00 0.00 C ATOM 0 H MET A 60 1.589 17.881 -2.386 1.00 0.00 H new ATOM 0 HA MET A 60 3.190 18.568 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.053 17.189 -0.942 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.678 16.200 -0.490 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.290 15.540 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.502 17.161 -3.282 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.169 17.642 -3.788 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.669 18.356 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.850 17.621 -2.037 1.00 0.00 H new ATOM 898 N LEU A 61 4.547 20.169 -1.345 1.00 0.00 N ATOM 899 CA LEU A 61 5.151 21.269 -2.078 1.00 0.00 C ATOM 900 C LEU A 61 6.297 20.734 -2.939 1.00 0.00 C ATOM 901 O LEU A 61 7.138 19.976 -2.459 1.00 0.00 O ATOM 902 CB LEU A 61 5.572 22.385 -1.119 1.00 0.00 C ATOM 903 CG LEU A 61 4.438 23.089 -0.371 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.909 24.425 0.206 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.209 23.253 -1.267 1.00 0.00 C ATOM 0 H LEU A 61 4.815 20.113 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 61 4.425 21.719 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.260 21.966 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.127 23.133 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 61 4.142 22.462 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.084 24.905 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.731 24.252 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.248 25.072 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.418 23.756 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.473 23.848 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.859 22.272 -1.588 1.00 0.00 H new ATOM 917 N GLU A 62 6.293 21.151 -4.197 1.00 0.00 N ATOM 918 CA GLU A 62 7.322 20.723 -5.130 1.00 0.00 C ATOM 919 C GLU A 62 8.436 21.768 -5.207 1.00 0.00 C ATOM 920 O GLU A 62 9.555 21.523 -4.758 1.00 0.00 O ATOM 921 CB GLU A 62 6.729 20.451 -6.514 1.00 0.00 C ATOM 922 CG GLU A 62 6.044 19.084 -6.558 1.00 0.00 C ATOM 923 CD GLU A 62 7.020 17.997 -7.013 1.00 0.00 C ATOM 924 OE1 GLU A 62 8.206 18.104 -6.633 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.559 17.084 -7.731 1.00 0.00 O ATOM 0 H GLU A 62 5.594 21.780 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 62 7.750 19.790 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.010 21.230 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.517 20.491 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.653 18.837 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.193 19.121 -7.238 1.00 0.00 H new ATOM 932 N GLU A 63 8.092 22.913 -5.779 1.00 0.00 N ATOM 933 CA GLU A 63 9.050 23.996 -5.921 1.00 0.00 C ATOM 934 C GLU A 63 8.327 25.305 -6.244 1.00 0.00 C ATOM 935 O GLU A 63 8.304 26.225 -5.428 1.00 0.00 O ATOM 936 CB GLU A 63 10.095 23.669 -6.989 1.00 0.00 C ATOM 937 CG GLU A 63 11.462 24.243 -6.613 1.00 0.00 C ATOM 938 CD GLU A 63 12.340 24.425 -7.853 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.168 25.466 -8.523 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.164 23.518 -8.103 1.00 0.00 O ATOM 0 H GLU A 63 7.163 23.114 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 63 9.574 24.117 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.171 22.588 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.778 24.075 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.332 25.202 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.958 23.578 -5.906 1.00 0.00 H new ATOM 947 N ASN A 64 7.753 25.347 -7.438 1.00 0.00 N ATOM 948 CA ASN A 64 7.031 26.528 -7.880 1.00 0.00 C ATOM 949 C ASN A 64 5.552 26.382 -7.516 1.00 0.00 C ATOM 950 O ASN A 64 4.770 27.315 -7.693 1.00 0.00 O ATOM 951 CB ASN A 64 7.130 26.699 -9.397 1.00 0.00 C ATOM 952 CG ASN A 64 8.535 27.143 -9.808 1.00 0.00 C ATOM 953 OD1 ASN A 64 9.408 26.341 -10.096 1.00 0.00 O ATOM 954 ND2 ASN A 64 8.704 28.462 -9.819 1.00 0.00 N ATOM 0 H ASN A 64 7.773 24.582 -8.113 1.00 0.00 H new ATOM 0 HA ASN A 64 7.472 27.396 -7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.883 25.758 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.399 27.435 -9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.607 28.858 -10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.931 29.077 -9.567 1.00 0.00 H new ATOM 961 N GLY A 65 5.212 25.203 -7.015 1.00 0.00 N ATOM 962 CA GLY A 65 3.841 24.923 -6.625 1.00 0.00 C ATOM 963 C GLY A 65 3.773 23.710 -5.694 1.00 0.00 C ATOM 964 O GLY A 65 4.568 23.592 -4.763 1.00 0.00 O ATOM 0 H GLY A 65 5.863 24.431 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.416 25.794 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.237 24.739 -7.513 1.00 0.00 H new ATOM 968 N GLU A 66 2.815 22.839 -5.979 1.00 0.00 N ATOM 969 CA GLU A 66 2.633 21.640 -5.179 1.00 0.00 C ATOM 970 C GLU A 66 1.877 20.578 -5.980 1.00 0.00 C ATOM 971 O GLU A 66 1.463 20.827 -7.111 1.00 0.00 O ATOM 972 CB GLU A 66 1.907 21.959 -3.870 1.00 0.00 C ATOM 973 CG GLU A 66 0.400 22.089 -4.096 1.00 0.00 C ATOM 974 CD GLU A 66 0.087 23.238 -5.057 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.725 24.301 -4.898 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.783 23.027 -5.930 1.00 0.00 O ATOM 0 H GLU A 66 2.158 22.940 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 66 3.616 21.244 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.102 21.173 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.297 22.887 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.007 21.156 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.101 22.260 -3.143 1.00 0.00 H new ATOM 983 N ARG A 67 1.721 19.416 -5.362 1.00 0.00 N ATOM 984 CA ARG A 67 1.022 18.315 -6.004 1.00 0.00 C ATOM 985 C ARG A 67 0.176 17.555 -4.980 1.00 0.00 C ATOM 986 O ARG A 67 0.614 17.329 -3.853 1.00 0.00 O ATOM 987 CB ARG A 67 2.007 17.347 -6.661 1.00 0.00 C ATOM 988 CG ARG A 67 1.268 16.194 -7.345 1.00 0.00 C ATOM 989 CD ARG A 67 2.052 15.682 -8.555 1.00 0.00 C ATOM 990 NE ARG A 67 1.143 15.506 -9.710 1.00 0.00 N ATOM 991 CZ ARG A 67 1.419 14.739 -10.773 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.579 14.073 -10.835 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.534 14.638 -11.774 1.00 0.00 N ATOM 0 H ARG A 67 2.066 19.213 -4.424 1.00 0.00 H new ATOM 0 HA ARG A 67 0.375 18.736 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.613 17.880 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.690 16.951 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.117 15.381 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.280 16.528 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.845 16.386 -8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.533 14.734 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 67 0.251 16.000 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.252 14.150 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.789 13.489 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.350 15.145 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.744 14.054 -12.583 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.021 17.182 -5.409 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.932 16.452 -4.544 1.00 0.00 C ATOM 1009 C VAL A 68 -1.661 14.952 -4.676 1.00 0.00 C ATOM 1010 O VAL A 68 -2.153 14.308 -5.601 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.378 16.830 -4.871 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.362 16.001 -4.041 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.614 18.328 -4.666 1.00 0.00 C ATOM 0 H VAL A 68 -1.381 17.372 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.768 16.721 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.553 16.605 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.383 16.289 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.220 14.942 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.185 16.181 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.650 18.569 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.411 18.589 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.949 18.894 -5.319 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.880 14.440 -3.737 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.538 13.028 -3.736 1.00 0.00 C ATOM 1025 C LEU A 69 -1.818 12.198 -3.620 1.00 0.00 C ATOM 1026 O LEU A 69 -2.081 11.337 -4.459 1.00 0.00 O ATOM 1027 CB LEU A 69 0.491 12.726 -2.644 1.00 0.00 C ATOM 1028 CG LEU A 69 1.721 13.635 -2.613 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.640 13.274 -1.443 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.460 13.604 -3.952 1.00 0.00 C ATOM 0 H LEU A 69 -0.474 14.978 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.061 12.751 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.007 12.788 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.828 11.696 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 69 1.384 14.660 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.507 13.935 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.097 13.389 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.972 12.241 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.330 14.259 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.784 12.585 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.793 13.946 -4.744 1.00 0.00 H new ATOM 1042 N MET A 70 -2.580 12.485 -2.575 1.00 0.00 N ATOM 1043 CA MET A 70 -3.826 11.776 -2.340 1.00 0.00 C ATOM 1044 C MET A 70 -4.904 12.724 -1.811 1.00 0.00 C ATOM 1045 O MET A 70 -4.606 13.653 -1.062 1.00 0.00 O ATOM 1046 CB MET A 70 -3.591 10.654 -1.327 1.00 0.00 C ATOM 1047 CG MET A 70 -4.905 9.960 -0.962 1.00 0.00 C ATOM 1048 SD MET A 70 -4.657 8.877 0.434 1.00 0.00 S ATOM 1049 CE MET A 70 -6.283 8.150 0.555 1.00 0.00 C ATOM 0 H MET A 70 -2.358 13.199 -1.881 1.00 0.00 H new ATOM 0 HA MET A 70 -4.169 11.357 -3.286 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.894 9.926 -1.741 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.129 11.062 -0.428 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.665 10.704 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.273 9.389 -1.814 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.190 7.082 0.752 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.833 8.622 1.369 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.820 8.301 -0.382 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.136 12.456 -2.221 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.260 13.273 -1.797 1.00 0.00 C ATOM 1061 C GLU A 71 -8.562 12.733 -2.392 1.00 0.00 C ATOM 1062 O GLU A 71 -8.543 12.027 -3.400 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.048 14.738 -2.181 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.340 15.541 -2.017 1.00 0.00 C ATOM 1065 CD GLU A 71 -8.120 17.013 -2.368 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -6.936 17.397 -2.490 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -9.140 17.722 -2.508 1.00 0.00 O ATOM 0 H GLU A 71 -6.380 11.685 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.331 13.223 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.265 15.171 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.705 14.801 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.116 15.123 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.696 15.458 -0.990 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.662 13.085 -1.744 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.971 12.645 -2.196 1.00 0.00 C ATOM 1076 C GLY A 72 -11.882 12.324 -1.009 1.00 0.00 C ATOM 1077 O GLY A 72 -11.403 12.043 0.088 1.00 0.00 O ATOM 0 H GLY A 72 -9.674 13.670 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.428 13.421 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.864 11.762 -2.826 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.180 12.377 -1.270 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.163 12.096 -0.237 1.00 0.00 C ATOM 1083 C LYS A 73 -14.051 10.628 0.181 1.00 0.00 C ATOM 1084 O LYS A 73 -14.099 9.734 -0.662 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.563 12.497 -0.706 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.673 14.015 -0.867 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.410 14.377 -2.158 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.700 15.142 -1.857 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.838 14.206 -1.723 1.00 0.00 N ATOM 0 H LYS A 73 -13.574 12.610 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.966 12.697 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.786 12.010 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.305 12.149 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.201 14.438 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.676 14.457 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.763 14.983 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.643 13.469 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.583 15.716 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.901 15.856 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.706 14.742 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.958 13.677 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.651 13.541 -0.946 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.906 10.426 1.482 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.787 9.082 2.022 1.00 0.00 C ATOM 1105 C LEU A 74 -15.106 8.336 1.814 1.00 0.00 C ATOM 1106 O LEU A 74 -16.141 8.953 1.566 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.332 9.130 3.482 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.903 9.622 3.723 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.744 10.171 5.142 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.885 8.521 3.417 1.00 0.00 C ATOM 0 H LEU A 74 -13.868 11.170 2.178 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.017 8.524 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.015 9.775 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.427 8.130 3.905 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.705 10.444 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.719 10.514 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.430 11.005 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.969 9.385 5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.878 8.897 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.072 7.663 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.979 8.218 2.374 1.00 0.00 H new ATOM 1122 N THR A 75 -15.027 7.017 1.921 1.00 0.00 N ATOM 1123 CA THR A 75 -16.201 6.180 1.748 1.00 0.00 C ATOM 1124 C THR A 75 -17.150 6.338 2.938 1.00 0.00 C ATOM 1125 O THR A 75 -18.363 6.428 2.761 1.00 0.00 O ATOM 1126 CB THR A 75 -15.728 4.741 1.535 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.145 4.378 2.783 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.569 4.646 0.541 1.00 0.00 C ATOM 0 H THR A 75 -14.167 6.508 2.126 1.00 0.00 H new ATOM 0 HA THR A 75 -16.776 6.482 0.873 1.00 0.00 H new ATOM 0 HB THR A 75 -16.561 4.135 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.813 3.457 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.272 3.603 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.884 5.042 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.723 5.225 0.912 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.560 6.366 4.124 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.337 6.512 5.343 1.00 0.00 C ATOM 1138 C HIS A 76 -16.761 7.652 6.185 1.00 0.00 C ATOM 1139 O HIS A 76 -15.829 8.333 5.761 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.405 5.187 6.105 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.158 4.098 5.379 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -17.554 2.933 4.941 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.471 4.010 5.020 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -18.471 2.184 4.346 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.658 2.854 4.396 1.00 0.00 N ATOM 0 H HIS A 76 -15.553 6.290 4.267 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.365 6.775 5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.390 4.842 6.304 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.879 5.360 7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.229 4.755 5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.307 1.214 3.900 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.544 2.521 4.016 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.342 7.826 7.363 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.899 8.872 8.269 1.00 0.00 C ATOM 1155 C LYS A 77 -15.780 8.329 9.160 1.00 0.00 C ATOM 1156 O LYS A 77 -15.510 7.128 9.162 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.084 9.442 9.050 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.897 10.408 8.185 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.611 11.449 9.049 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.259 12.530 8.182 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.336 13.810 8.921 1.00 0.00 N ATOM 0 H LYS A 77 -18.116 7.260 7.711 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.483 9.710 7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.724 8.629 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.723 9.960 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.238 10.909 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.629 9.851 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.372 10.961 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.899 11.907 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.682 12.665 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.259 12.215 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.778 14.533 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.906 13.680 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.378 14.117 9.184 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.158 9.238 9.896 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.075 8.866 10.789 1.00 0.00 C ATOM 1177 C ILE A 78 -14.042 9.831 11.976 1.00 0.00 C ATOM 1178 O ILE A 78 -14.660 10.894 11.933 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.752 8.788 10.024 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.408 10.135 9.385 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.780 7.656 8.995 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.385 10.896 10.230 1.00 0.00 C ATOM 0 H ILE A 78 -15.384 10.233 9.892 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.243 7.868 11.194 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.959 8.557 10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.011 9.975 8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.313 10.733 9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.828 7.622 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.946 6.706 9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.586 7.832 8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.157 11.850 9.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.795 11.075 11.224 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.472 10.306 10.315 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.316 9.427 13.007 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.195 10.243 14.203 1.00 0.00 C ATOM 1196 C ASN A 79 -11.913 11.075 14.121 1.00 0.00 C ATOM 1197 O ASN A 79 -10.911 10.741 14.750 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.113 9.372 15.458 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.873 10.013 16.621 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -13.554 11.095 17.084 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.895 9.286 17.065 1.00 0.00 N ATOM 0 H ASN A 79 -12.805 8.545 13.039 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.075 10.883 14.264 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.527 8.386 15.248 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.069 9.227 15.737 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.466 9.627 17.839 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.108 8.387 16.632 1.00 0.00 H new ATOM 1208 N THR A 80 -11.988 12.141 13.338 1.00 0.00 N ATOM 1209 CA THR A 80 -10.846 13.023 13.165 1.00 0.00 C ATOM 1210 C THR A 80 -10.093 13.187 14.487 1.00 0.00 C ATOM 1211 O THR A 80 -8.870 13.317 14.497 1.00 0.00 O ATOM 1212 CB THR A 80 -11.354 14.346 12.587 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.288 14.813 13.557 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.195 14.149 11.325 1.00 0.00 C ATOM 0 H THR A 80 -12.821 12.414 12.817 1.00 0.00 H new ATOM 0 HA THR A 80 -10.123 12.602 12.466 1.00 0.00 H new ATOM 0 HB THR A 80 -10.506 14.992 12.361 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.665 15.668 13.263 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.530 15.118 10.956 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.594 13.658 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.062 13.530 11.558 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.855 13.175 15.571 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.275 13.320 16.895 1.00 0.00 C ATOM 1224 C GLU A 81 -9.219 12.239 17.134 1.00 0.00 C ATOM 1225 O GLU A 81 -8.083 12.545 17.492 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.358 13.277 17.975 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.273 14.500 17.883 1.00 0.00 C ATOM 1228 CD GLU A 81 -13.159 14.616 19.125 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -13.605 13.551 19.606 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -13.371 15.766 19.566 1.00 0.00 O ATOM 0 H GLU A 81 -11.869 13.067 15.559 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.789 14.294 16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.949 12.367 17.867 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.893 13.240 18.960 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.671 15.402 17.776 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.897 14.426 16.992 1.00 0.00 H new ATOM 1237 N SER A 82 -9.632 10.998 16.925 1.00 0.00 N ATOM 1238 CA SER A 82 -8.736 9.870 17.113 1.00 0.00 C ATOM 1239 C SER A 82 -7.735 9.798 15.958 1.00 0.00 C ATOM 1240 O SER A 82 -6.621 9.306 16.127 1.00 0.00 O ATOM 1241 CB SER A 82 -9.516 8.558 17.222 1.00 0.00 C ATOM 1242 OG SER A 82 -10.054 8.364 18.528 1.00 0.00 O ATOM 0 H SER A 82 -10.575 10.749 16.627 1.00 0.00 H new ATOM 0 HA SER A 82 -8.194 10.017 18.047 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.326 8.556 16.492 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.860 7.724 16.973 1.00 0.00 H new ATOM 0 HG SER A 82 -10.546 7.517 18.557 1.00 0.00 H new ATOM 1248 N SER A 83 -8.170 10.295 14.809 1.00 0.00 N ATOM 1249 CA SER A 83 -7.327 10.293 13.626 1.00 0.00 C ATOM 1250 C SER A 83 -6.165 11.272 13.810 1.00 0.00 C ATOM 1251 O SER A 83 -6.335 12.338 14.399 1.00 0.00 O ATOM 1252 CB SER A 83 -8.132 10.653 12.376 1.00 0.00 C ATOM 1253 OG SER A 83 -9.347 9.914 12.292 1.00 0.00 O ATOM 0 H SER A 83 -9.095 10.702 14.673 1.00 0.00 H new ATOM 0 HA SER A 83 -6.928 9.287 13.491 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.356 11.720 12.384 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.529 10.461 11.489 1.00 0.00 H new ATOM 0 HG SER A 83 -9.865 10.041 13.114 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.011 10.874 13.294 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.822 11.703 13.394 1.00 0.00 C ATOM 1261 C LEU A 84 -3.090 11.701 12.051 1.00 0.00 C ATOM 1262 O LEU A 84 -3.527 11.051 11.102 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.952 11.253 14.569 1.00 0.00 C ATOM 1264 CG LEU A 84 -1.949 10.136 14.272 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.523 10.686 14.196 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.073 9.002 15.292 1.00 0.00 C ATOM 0 H LEU A 84 -4.874 9.989 12.806 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.095 12.736 13.607 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.403 12.118 14.941 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.607 10.921 15.374 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.185 9.716 13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.170 9.872 13.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.462 11.431 13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.260 11.148 15.148 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.349 8.221 15.058 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.878 9.389 16.292 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.080 8.586 15.253 1.00 0.00 H new ATOM 1278 N TRP A 85 -1.988 12.435 12.013 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.191 12.526 10.801 1.00 0.00 C ATOM 1280 C TRP A 85 0.170 13.118 11.174 1.00 0.00 C ATOM 1281 O TRP A 85 0.241 14.174 11.800 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.919 13.334 9.725 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.458 14.789 9.620 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.936 15.855 10.277 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.402 15.298 8.779 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.268 17.009 9.922 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.306 16.660 8.982 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.444 14.630 7.876 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.624 17.470 8.318 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.367 15.454 7.221 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.477 16.826 7.414 1.00 0.00 C ATOM 0 H TRP A 85 -1.628 12.972 12.802 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.035 11.538 10.367 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.775 12.848 8.760 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.989 13.317 9.934 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.743 15.816 10.994 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.447 17.946 10.283 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.386 13.566 7.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.680 18.534 8.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.041 14.991 6.516 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.217 17.393 6.869 1.00 0.00 H new ATOM 1302 N SER A 86 1.217 12.411 10.773 1.00 0.00 N ATOM 1303 CA SER A 86 2.571 12.853 11.058 1.00 0.00 C ATOM 1304 C SER A 86 3.408 12.833 9.777 1.00 0.00 C ATOM 1305 O SER A 86 3.438 11.829 9.066 1.00 0.00 O ATOM 1306 CB SER A 86 3.223 11.978 12.130 1.00 0.00 C ATOM 1307 OG SER A 86 3.852 10.828 11.572 1.00 0.00 O ATOM 0 H SER A 86 1.154 11.536 10.253 1.00 0.00 H new ATOM 0 HA SER A 86 2.524 13.873 11.439 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.961 12.565 12.677 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.468 11.664 12.850 1.00 0.00 H new ATOM 0 HG SER A 86 4.257 10.297 12.289 1.00 0.00 H new ATOM 1313 N LEU A 87 4.067 13.953 9.521 1.00 0.00 N ATOM 1314 CA LEU A 87 4.902 14.077 8.338 1.00 0.00 C ATOM 1315 C LEU A 87 6.327 13.636 8.676 1.00 0.00 C ATOM 1316 O LEU A 87 6.832 13.932 9.759 1.00 0.00 O ATOM 1317 CB LEU A 87 4.815 15.494 7.767 1.00 0.00 C ATOM 1318 CG LEU A 87 5.861 15.856 6.711 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.191 16.235 7.364 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.025 14.728 5.691 1.00 0.00 C ATOM 0 H LEU A 87 4.040 14.783 10.113 1.00 0.00 H new ATOM 0 HA LEU A 87 4.543 13.417 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.825 15.629 7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.899 16.202 8.591 1.00 0.00 H new ATOM 0 HG LEU A 87 5.507 16.732 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.917 16.488 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.043 17.094 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.562 15.393 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.774 15.012 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.345 13.819 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.073 14.548 5.192 1.00 0.00 H new ATOM 1332 N GLU A 88 6.937 12.936 7.731 1.00 0.00 N ATOM 1333 CA GLU A 88 8.294 12.452 7.916 1.00 0.00 C ATOM 1334 C GLU A 88 9.216 13.037 6.844 1.00 0.00 C ATOM 1335 O GLU A 88 8.878 13.038 5.662 1.00 0.00 O ATOM 1336 CB GLU A 88 8.338 10.923 7.901 1.00 0.00 C ATOM 1337 CG GLU A 88 7.445 10.339 8.998 1.00 0.00 C ATOM 1338 CD GLU A 88 8.233 9.384 9.896 1.00 0.00 C ATOM 1339 OE1 GLU A 88 8.918 9.897 10.807 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.134 8.162 9.651 1.00 0.00 O ATOM 0 H GLU A 88 6.516 12.692 6.834 1.00 0.00 H new ATOM 0 HA GLU A 88 8.647 12.783 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.012 10.556 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.364 10.584 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.026 11.146 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.606 9.810 8.546 1.00 0.00 H new ATOM 1347 N PRO A 89 10.394 13.534 7.308 1.00 0.00 N ATOM 1348 CA PRO A 89 11.368 14.120 6.403 1.00 0.00 C ATOM 1349 C PRO A 89 12.099 13.037 5.607 1.00 0.00 C ATOM 1350 O PRO A 89 12.714 12.143 6.187 1.00 0.00 O ATOM 1351 CB PRO A 89 12.296 14.930 7.294 1.00 0.00 C ATOM 1352 CG PRO A 89 12.091 14.396 8.703 1.00 0.00 C ATOM 1353 CD PRO A 89 10.829 13.550 8.702 1.00 0.00 C ATOM 0 HA PRO A 89 10.909 14.756 5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.334 14.818 6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.060 15.993 7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.949 13.801 9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.999 15.218 9.413 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.028 12.542 9.066 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.065 13.978 9.350 1.00 0.00 H new ATOM 1361 N GLY A 90 12.007 13.152 4.290 1.00 0.00 N ATOM 1362 CA GLY A 90 12.652 12.194 3.409 1.00 0.00 C ATOM 1363 C GLY A 90 12.173 10.770 3.703 1.00 0.00 C ATOM 1364 O GLY A 90 12.984 9.857 3.849 1.00 0.00 O ATOM 0 H GLY A 90 11.496 13.894 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.437 12.447 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.733 12.251 3.533 1.00 0.00 H new ATOM 1368 N LYS A 91 10.858 10.626 3.780 1.00 0.00 N ATOM 1369 CA LYS A 91 10.263 9.330 4.053 1.00 0.00 C ATOM 1370 C LYS A 91 8.875 9.265 3.412 1.00 0.00 C ATOM 1371 O LYS A 91 8.753 9.054 2.206 1.00 0.00 O ATOM 1372 CB LYS A 91 10.259 9.048 5.557 1.00 0.00 C ATOM 1373 CG LYS A 91 11.544 8.337 5.985 1.00 0.00 C ATOM 1374 CD LYS A 91 11.238 6.959 6.573 1.00 0.00 C ATOM 1375 CE LYS A 91 12.509 6.113 6.678 1.00 0.00 C ATOM 1376 NZ LYS A 91 12.179 4.729 7.085 1.00 0.00 N ATOM 0 H LYS A 91 10.188 11.386 3.658 1.00 0.00 H new ATOM 0 HA LYS A 91 10.859 8.536 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.157 9.984 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.396 8.433 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.208 8.231 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.070 8.942 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.790 7.072 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.507 6.447 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.026 6.103 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.191 6.559 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.053 4.169 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.706 4.743 8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.546 4.301 6.379 1.00 0.00 H new ATOM 1390 N CYS A 92 7.863 9.451 4.247 1.00 0.00 N ATOM 1391 CA CYS A 92 6.489 9.417 3.777 1.00 0.00 C ATOM 1392 C CYS A 92 5.606 10.100 4.823 1.00 0.00 C ATOM 1393 O CYS A 92 6.088 10.499 5.882 1.00 0.00 O ATOM 1394 CB CYS A 92 6.026 7.988 3.485 1.00 0.00 C ATOM 1395 SG CYS A 92 6.789 6.827 4.677 1.00 0.00 S ATOM 0 H CYS A 92 7.968 9.626 5.246 1.00 0.00 H new ATOM 0 HA CYS A 92 6.412 9.954 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.940 7.928 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.299 7.709 2.467 1.00 0.00 H new ATOM 0 HG CYS A 92 6.388 5.617 4.422 1.00 0.00 H new ATOM 1401 N VAL A 93 4.328 10.213 4.490 1.00 0.00 N ATOM 1402 CA VAL A 93 3.374 10.841 5.388 1.00 0.00 C ATOM 1403 C VAL A 93 2.449 9.771 5.972 1.00 0.00 C ATOM 1404 O VAL A 93 1.794 9.040 5.231 1.00 0.00 O ATOM 1405 CB VAL A 93 2.617 11.950 4.655 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.447 12.464 5.496 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.557 13.092 4.266 1.00 0.00 C ATOM 0 H VAL A 93 3.932 9.880 3.611 1.00 0.00 H new ATOM 0 HA VAL A 93 3.890 11.315 6.223 1.00 0.00 H new ATOM 0 HB VAL A 93 2.209 11.526 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.926 13.252 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.757 11.645 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.823 12.862 6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.993 13.867 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.009 13.513 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.340 12.711 3.610 1.00 0.00 H new ATOM 1417 N LEU A 94 2.426 9.712 7.295 1.00 0.00 N ATOM 1418 CA LEU A 94 1.593 8.743 7.987 1.00 0.00 C ATOM 1419 C LEU A 94 0.297 9.420 8.436 1.00 0.00 C ATOM 1420 O LEU A 94 0.330 10.465 9.085 1.00 0.00 O ATOM 1421 CB LEU A 94 2.371 8.086 9.129 1.00 0.00 C ATOM 1422 CG LEU A 94 1.572 7.136 10.025 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.456 7.883 10.757 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.038 5.947 9.224 1.00 0.00 C ATOM 0 H LEU A 94 2.971 10.320 7.907 1.00 0.00 H new ATOM 0 HA LEU A 94 1.313 7.932 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.208 7.533 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.795 8.873 9.753 1.00 0.00 H new ATOM 0 HG LEU A 94 2.243 6.736 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.096 7.186 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.889 8.667 11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.221 8.329 10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.474 5.288 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.386 6.308 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.873 5.397 8.788 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.815 8.798 8.072 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.120 9.328 8.429 1.00 0.00 C ATOM 1438 C VAL A 95 -2.977 8.206 9.020 1.00 0.00 C ATOM 1439 O VAL A 95 -3.287 7.232 8.337 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.765 9.994 7.212 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.148 10.549 7.559 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -1.862 11.090 6.643 1.00 0.00 C ATOM 0 H VAL A 95 -0.839 7.932 7.534 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.023 10.100 9.192 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.893 9.232 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.584 11.017 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.792 9.736 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.054 11.289 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.345 11.547 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.687 11.850 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.910 10.655 6.339 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.334 8.382 10.284 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.148 7.397 10.975 1.00 0.00 C ATOM 1454 C ASN A 96 -5.614 7.833 10.932 1.00 0.00 C ATOM 1455 O ASN A 96 -5.939 8.966 11.285 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.735 7.272 12.443 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.204 5.870 12.746 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -3.921 4.883 12.699 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.912 5.836 13.058 1.00 0.00 N ATOM 0 H ASN A 96 -3.074 9.192 10.847 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.009 6.437 10.479 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.969 8.012 12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.590 7.488 13.084 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.463 4.946 13.276 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.369 6.700 13.079 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.460 6.910 10.497 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.884 7.185 10.404 1.00 0.00 C ATOM 1468 C LEU A 97 -8.631 6.345 11.442 1.00 0.00 C ATOM 1469 O LEU A 97 -8.335 5.164 11.619 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.378 6.973 8.971 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.946 8.028 7.950 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.799 7.946 6.683 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.969 9.429 8.566 1.00 0.00 C ATOM 0 H LEU A 97 -6.187 5.972 10.205 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.085 8.231 10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.029 5.999 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.467 6.934 8.985 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.916 7.820 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.471 8.706 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.689 6.959 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.845 8.114 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.658 10.160 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.979 9.662 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.286 9.464 9.415 1.00 0.00 H new ATOM 1485 N SER A 98 -9.584 6.987 12.101 1.00 0.00 N ATOM 1486 CA SER A 98 -10.375 6.314 13.117 1.00 0.00 C ATOM 1487 C SER A 98 -11.665 5.769 12.500 1.00 0.00 C ATOM 1488 O SER A 98 -12.165 6.314 11.518 1.00 0.00 O ATOM 1489 CB SER A 98 -10.699 7.256 14.278 1.00 0.00 C ATOM 1490 OG SER A 98 -11.724 6.735 15.119 1.00 0.00 O ATOM 0 H SER A 98 -9.826 7.966 11.951 1.00 0.00 H new ATOM 0 HA SER A 98 -9.789 5.484 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.799 7.427 14.868 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.011 8.223 13.884 1.00 0.00 H new ATOM 0 HG SER A 98 -11.377 6.626 16.029 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.165 4.700 13.102 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.387 4.076 12.624 1.00 0.00 C ATOM 1498 C LYS A 99 -14.590 4.723 13.315 1.00 0.00 C ATOM 1499 O LYS A 99 -14.544 5.009 14.510 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.319 2.558 12.804 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.767 1.881 11.547 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.376 0.489 11.362 1.00 0.00 C ATOM 1503 CE LYS A 99 -13.075 -0.059 9.965 1.00 0.00 C ATOM 1504 NZ LYS A 99 -14.136 -0.998 9.538 1.00 0.00 N ATOM 0 H LYS A 99 -11.746 4.250 13.916 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.506 4.243 11.553 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.687 2.317 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.313 2.169 13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.984 2.496 10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.682 1.801 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.978 -0.189 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.454 0.537 11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.001 0.763 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.111 -0.567 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.824 -1.513 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.328 -1.676 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.003 -0.466 9.321 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.637 4.935 12.532 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.850 5.543 13.053 1.00 0.00 C ATOM 1520 C VAL A 100 -18.051 4.669 12.687 1.00 0.00 C ATOM 1521 O VAL A 100 -18.622 4.814 11.607 1.00 0.00 O ATOM 1522 CB VAL A 100 -16.977 6.979 12.540 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -18.404 7.501 12.719 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -15.966 7.899 13.228 1.00 0.00 C ATOM 0 H VAL A 100 -15.671 4.697 11.541 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.811 5.603 14.141 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.753 6.974 11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -18.467 8.523 12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -19.095 6.869 12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -18.668 7.483 13.776 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.078 8.913 12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.144 7.895 14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.955 7.544 13.026 1.00 0.00 H new ATOM 1534 N GLY A 101 -18.399 3.782 13.608 1.00 0.00 N ATOM 1535 CA GLY A 101 -19.522 2.885 13.396 1.00 0.00 C ATOM 1536 C GLY A 101 -19.087 1.633 12.632 1.00 0.00 C ATOM 1537 O GLY A 101 -18.065 1.643 11.948 1.00 0.00 O ATOM 0 H GLY A 101 -17.923 3.666 14.503 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.950 2.599 14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.304 3.401 12.840 1.00 0.00 H new ATOM 1541 N GLU A 102 -19.885 0.585 12.774 1.00 0.00 N ATOM 1542 CA GLU A 102 -19.595 -0.673 12.106 1.00 0.00 C ATOM 1543 C GLU A 102 -19.793 -0.529 10.596 1.00 0.00 C ATOM 1544 O GLU A 102 -20.907 -0.677 10.095 1.00 0.00 O ATOM 1545 CB GLU A 102 -20.459 -1.804 12.667 1.00 0.00 C ATOM 1546 CG GLU A 102 -19.880 -2.337 13.979 1.00 0.00 C ATOM 1547 CD GLU A 102 -20.304 -3.789 14.215 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -21.465 -3.980 14.637 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -19.457 -4.674 13.968 1.00 0.00 O ATOM 0 H GLU A 102 -20.732 0.581 13.342 1.00 0.00 H new ATOM 0 HA GLU A 102 -18.552 -0.930 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -21.474 -1.443 12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -20.524 -2.613 11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -18.792 -2.271 13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.218 -1.716 14.809 1.00 0.00 H new ATOM 1556 N TYR A 103 -18.695 -0.242 9.912 1.00 0.00 N ATOM 1557 CA TYR A 103 -18.734 -0.077 8.469 1.00 0.00 C ATOM 1558 C TYR A 103 -17.669 -0.941 7.789 1.00 0.00 C ATOM 1559 O TYR A 103 -16.661 -1.287 8.403 1.00 0.00 O ATOM 1560 CB TYR A 103 -18.422 1.397 8.205 1.00 0.00 C ATOM 1561 CG TYR A 103 -19.646 2.313 8.269 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -20.520 2.371 7.203 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -19.875 3.082 9.392 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -21.672 3.234 7.263 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -21.026 3.944 9.452 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.868 3.977 8.384 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.956 4.791 8.441 1.00 0.00 O ATOM 0 H TYR A 103 -17.773 -0.120 10.331 1.00 0.00 H new ATOM 0 HA TYR A 103 -19.705 -0.376 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -17.687 1.738 8.934 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.962 1.490 7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -20.341 1.770 6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -19.190 3.037 10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -22.364 3.289 6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -21.217 4.551 10.325 1.00 0.00 H new ATOM 0 HH TYR A 103 -22.969 5.260 9.301 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.930 -1.264 6.531 1.00 0.00 N ATOM 1578 CA TRP A 104 -17.007 -2.080 5.762 1.00 0.00 C ATOM 1579 C TRP A 104 -16.192 -1.151 4.860 1.00 0.00 C ATOM 1580 O TRP A 104 -16.662 -0.741 3.799 1.00 0.00 O ATOM 1581 CB TRP A 104 -17.753 -3.166 4.983 1.00 0.00 C ATOM 1582 CG TRP A 104 -18.686 -2.624 3.899 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -18.470 -2.565 2.578 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -20.001 -2.062 4.098 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -19.544 -2.010 1.913 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -20.505 -1.694 2.867 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -20.740 -1.872 5.278 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -21.767 -1.113 2.698 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -21.999 -1.290 5.093 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -22.521 -0.913 3.860 1.00 0.00 C ATOM 0 H TRP A 104 -18.767 -0.975 6.025 1.00 0.00 H new ATOM 0 HA TRP A 104 -16.322 -2.613 6.422 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -17.025 -3.833 4.521 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -18.335 -3.766 5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.568 -2.909 2.094 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -19.619 -1.859 0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.366 -2.153 6.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.139 -0.834 1.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -22.608 -1.122 5.969 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -23.503 -0.468 3.800 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.985 -0.846 5.314 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.101 0.027 4.561 1.00 0.00 C ATOM 1603 C TRP A 105 -13.559 -0.763 3.369 1.00 0.00 C ATOM 1604 O TRP A 105 -12.459 -1.311 3.432 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.997 0.593 5.456 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.450 1.748 6.351 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.235 1.693 7.436 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.113 3.142 6.192 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.427 2.944 7.985 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.723 3.853 7.205 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.317 3.781 5.225 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.602 5.241 7.348 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.207 5.168 5.382 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.815 5.898 6.396 1.00 0.00 C ATOM 0 H TRP A 105 -14.599 -1.188 6.194 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.644 0.894 4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.607 -0.208 6.084 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.174 0.935 4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.663 0.784 7.831 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -14.984 3.162 8.812 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.829 3.245 4.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.090 5.775 8.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.607 5.708 4.665 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.681 6.968 6.449 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.354 -0.796 2.310 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.968 -1.511 1.106 1.00 0.00 C ATOM 1627 C ASN A 106 -12.885 -0.716 0.372 1.00 0.00 C ATOM 1628 O ASN A 106 -12.341 -1.179 -0.629 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.157 -1.676 0.157 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.642 -0.318 -0.355 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.923 0.424 -1.003 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.900 -0.036 -0.029 1.00 0.00 N ATOM 0 H ASN A 106 -15.264 -0.339 2.261 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.603 -2.495 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.870 -2.305 -0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.971 -2.186 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.318 0.847 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.447 -0.702 0.516 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.605 0.467 0.899 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.597 1.330 0.307 1.00 0.00 C ATOM 1641 C ALA A 107 -11.443 2.589 1.164 1.00 0.00 C ATOM 1642 O ALA A 107 -12.015 2.679 2.249 1.00 0.00 O ATOM 1643 CB ALA A 107 -11.985 1.652 -1.137 1.00 0.00 C ATOM 0 H ALA A 107 -13.059 0.848 1.729 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.630 0.828 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.229 2.299 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.053 0.727 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.950 2.159 -1.150 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.667 3.528 0.643 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.431 4.778 1.347 1.00 0.00 C ATOM 1651 C ILE A 108 -11.314 5.872 0.745 1.00 0.00 C ATOM 1652 O ILE A 108 -12.053 6.543 1.463 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.940 5.120 1.344 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.118 3.997 1.979 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.686 6.469 2.020 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.069 4.147 3.501 1.00 0.00 C ATOM 0 H ILE A 108 -10.194 3.449 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.711 4.684 2.396 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.613 5.212 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.552 3.032 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.105 4.010 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.618 6.688 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.225 7.251 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.033 6.430 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.479 3.336 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.612 5.103 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.081 4.109 3.903 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.209 6.018 -0.568 1.00 0.00 N ATOM 1669 CA LEU A 109 -11.989 7.019 -1.275 1.00 0.00 C ATOM 1670 C LEU A 109 -13.159 6.338 -1.987 1.00 0.00 C ATOM 1671 O LEU A 109 -13.348 5.130 -1.862 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.092 7.837 -2.208 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.905 8.541 -1.549 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.080 9.309 -2.584 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.369 9.443 -0.403 1.00 0.00 C ATOM 0 H LEU A 109 -10.595 5.459 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.416 7.735 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.711 7.175 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.706 8.589 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.254 7.781 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.242 9.800 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.702 8.616 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.707 10.059 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.505 9.931 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.053 10.199 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.880 8.842 0.349 1.00 0.00 H new ATOM 1687 N GLU A 110 -13.914 7.144 -2.720 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.061 6.634 -3.452 1.00 0.00 C ATOM 1689 C GLU A 110 -14.668 6.311 -4.895 1.00 0.00 C ATOM 1690 O GLU A 110 -15.267 5.441 -5.525 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.224 7.627 -3.410 1.00 0.00 C ATOM 1692 CG GLU A 110 -16.750 7.795 -1.983 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.197 8.293 -1.987 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.050 7.552 -2.521 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -18.417 9.402 -1.455 1.00 0.00 O ATOM 0 H GLU A 110 -13.754 8.146 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.394 5.714 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.897 8.592 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.028 7.279 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.691 6.843 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.120 8.500 -1.440 1.00 0.00 H new