USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 43 TYR OH : rot -127:sc= 0.673 USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -0.223 F(o=-1.5,f=0.45) USER MOD Set 2.1: A 73 THR OG1 : rot 40:sc= -3.08! USER MOD Set 2.2: A 77 ASN : amide:sc= -6! C(o=-9.1!,f=-11!) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -111:sc= 0.119 (180deg=-0.8) USER MOD Set 3.2: A 62 CYS SG : rot -34:sc= -0.643! USER MOD Set 4.1: A 56 MET CE :methyl -169:sc= -1.87 (180deg=-2.7) USER MOD Set 4.2: A 64 MET CE :methyl -142:sc= -1.2 (180deg=-3.31!) USER MOD Set 5.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.372 X(o=0.37,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 29 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.9!) USER MOD Single : A 31 HIS : no HD1:sc= -2.66! X(o=-2.7!,f=-2.6) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.26 K(o=-0.26,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 0.241 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ -152:sc=-0.00497 (180deg=-0.731) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 85:sc= 0.571 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.252 13.663 22.812 1.00 0.00 N ATOM 266 CA VAL A 20 4.951 13.020 24.086 1.00 0.00 C ATOM 267 C VAL A 20 6.159 13.048 25.015 1.00 0.00 C ATOM 268 O VAL A 20 7.310 13.085 24.576 1.00 0.00 O ATOM 269 CB VAL A 20 4.505 11.560 23.886 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.253 11.497 23.023 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.628 10.739 23.271 1.00 0.00 C ATOM 0 HA VAL A 20 4.135 13.583 24.539 1.00 0.00 H new ATOM 0 HB VAL A 20 4.267 11.135 24.861 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.953 10.457 22.893 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.448 12.049 23.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.460 11.940 22.049 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.295 9.710 23.137 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.900 11.161 22.304 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.495 10.757 23.931 1.00 0.00 H new ATOM 281 N PRO A 21 5.896 13.031 26.330 1.00 0.00 N ATOM 282 CA PRO A 21 6.949 13.053 27.349 1.00 0.00 C ATOM 283 C PRO A 21 7.742 11.751 27.391 1.00 0.00 C ATOM 284 O PRO A 21 7.263 10.707 26.950 1.00 0.00 O ATOM 285 CB PRO A 21 6.176 13.250 28.655 1.00 0.00 C ATOM 286 CG PRO A 21 4.817 12.707 28.375 1.00 0.00 C ATOM 287 CD PRO A 21 4.549 12.987 26.923 1.00 0.00 C ATOM 0 HA PRO A 21 7.688 13.830 27.154 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.652 12.721 29.481 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.132 14.303 28.934 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.775 11.637 28.580 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.069 13.183 29.009 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.936 12.208 26.470 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.019 13.930 26.787 1.00 0.00 H new ATOM 295 N ALA A 22 8.958 11.821 27.924 1.00 0.00 N ATOM 296 CA ALA A 22 9.816 10.647 28.026 1.00 0.00 C ATOM 297 C ALA A 22 9.108 9.511 28.758 1.00 0.00 C ATOM 298 O ALA A 22 8.796 8.478 28.166 1.00 0.00 O ATOM 299 CB ALA A 22 11.116 11.003 28.731 1.00 0.00 C ATOM 0 H ALA A 22 9.371 12.678 28.292 1.00 0.00 H new ATOM 0 HA ALA A 22 10.045 10.306 27.016 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.747 10.117 28.800 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.637 11.776 28.166 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.897 11.372 29.733 1.00 0.00 H new ATOM 305 N ASP A 23 8.860 9.710 30.048 1.00 0.00 N ATOM 306 CA ASP A 23 8.189 8.702 30.861 1.00 0.00 C ATOM 307 C ASP A 23 6.892 8.246 30.200 1.00 0.00 C ATOM 308 O ASP A 23 5.909 8.985 30.129 1.00 0.00 O ATOM 309 CB ASP A 23 7.898 9.254 32.257 1.00 0.00 C ATOM 310 CG ASP A 23 8.738 8.589 33.329 1.00 0.00 C ATOM 311 OD1 ASP A 23 8.986 7.370 33.218 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.148 9.288 34.280 1.00 0.00 O ATOM 0 H ASP A 23 9.113 10.559 30.553 1.00 0.00 H new ATOM 0 HA ASP A 23 8.852 7.842 30.950 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.086 10.328 32.266 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.842 9.113 32.487 1.00 0.00 H new ATOM 317 N PRO A 24 6.887 7.000 29.703 1.00 0.00 N ATOM 318 CA PRO A 24 5.717 6.418 29.038 1.00 0.00 C ATOM 319 C PRO A 24 4.577 6.139 30.011 1.00 0.00 C ATOM 320 O PRO A 24 3.466 5.800 29.601 1.00 0.00 O ATOM 321 CB PRO A 24 6.255 5.109 28.456 1.00 0.00 C ATOM 322 CG PRO A 24 7.415 4.757 29.322 1.00 0.00 C ATOM 323 CD PRO A 24 8.022 6.064 29.751 1.00 0.00 C ATOM 0 HA PRO A 24 5.295 7.091 28.291 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.496 4.327 28.474 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.560 5.234 27.417 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.095 4.173 30.185 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.139 4.150 28.778 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.448 6.000 30.752 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.826 6.372 29.082 1.00 0.00 H new ATOM 331 N THR A 25 4.857 6.285 31.302 1.00 0.00 N ATOM 332 CA THR A 25 3.855 6.048 32.334 1.00 0.00 C ATOM 333 C THR A 25 2.960 7.268 32.520 1.00 0.00 C ATOM 334 O THR A 25 1.825 7.152 32.986 1.00 0.00 O ATOM 335 CB THR A 25 4.510 5.695 33.682 1.00 0.00 C ATOM 336 OG1 THR A 25 5.614 6.571 33.936 1.00 0.00 O ATOM 337 CG2 THR A 25 4.989 4.251 33.689 1.00 0.00 C ATOM 0 H THR A 25 5.770 6.567 31.658 1.00 0.00 H new ATOM 0 HA THR A 25 3.250 5.204 32.001 1.00 0.00 H new ATOM 0 HB THR A 25 3.763 5.817 34.466 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.023 6.340 34.796 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.448 4.025 34.651 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.141 3.586 33.526 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.721 4.107 32.895 1.00 0.00 H new ATOM 345 N LEU A 26 3.476 8.436 32.155 1.00 0.00 N ATOM 346 CA LEU A 26 2.722 9.679 32.281 1.00 0.00 C ATOM 347 C LEU A 26 1.876 9.932 31.037 1.00 0.00 C ATOM 348 O LEU A 26 1.151 10.923 30.959 1.00 0.00 O ATOM 349 CB LEU A 26 3.673 10.854 32.514 1.00 0.00 C ATOM 350 CG LEU A 26 4.639 10.713 33.690 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.720 11.780 33.624 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.887 10.794 35.011 1.00 0.00 C ATOM 0 H LEU A 26 4.413 8.549 31.769 1.00 0.00 H new ATOM 0 HA LEU A 26 2.055 9.585 33.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.257 11.008 31.607 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.076 11.754 32.666 1.00 0.00 H new ATOM 0 HG LEU A 26 5.118 9.736 33.627 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.398 11.664 34.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.278 11.675 32.694 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.260 12.767 33.662 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.591 10.692 35.837 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.380 11.756 35.083 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.151 9.992 35.060 1.00 0.00 H new ATOM 364 N TRP A 27 1.974 9.029 30.068 1.00 0.00 N ATOM 365 CA TRP A 27 1.217 9.154 28.828 1.00 0.00 C ATOM 366 C TRP A 27 -0.280 9.029 29.090 1.00 0.00 C ATOM 367 O TRP A 27 -0.731 8.083 29.737 1.00 0.00 O ATOM 368 CB TRP A 27 1.662 8.088 27.825 1.00 0.00 C ATOM 369 CG TRP A 27 2.975 8.399 27.173 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.697 9.552 27.292 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.721 7.545 26.299 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.847 9.466 26.545 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.886 8.245 25.927 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.520 6.257 25.796 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.842 7.698 25.075 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.470 5.716 24.951 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.620 6.435 24.598 1.00 0.00 C ATOM 0 H TRP A 27 2.570 8.203 30.117 1.00 0.00 H new ATOM 0 HA TRP A 27 1.413 10.141 28.409 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.736 7.128 28.335 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.898 7.982 27.055 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.407 10.406 27.886 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.557 10.194 26.464 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.638 5.694 26.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.728 8.251 24.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.324 4.722 24.556 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.345 5.984 23.937 1.00 0.00 H new ATOM 388 N THR A 28 -1.048 9.988 28.582 1.00 0.00 N ATOM 389 CA THR A 28 -2.494 9.986 28.762 1.00 0.00 C ATOM 390 C THR A 28 -3.164 8.995 27.817 1.00 0.00 C ATOM 391 O THR A 28 -2.499 8.352 27.006 1.00 0.00 O ATOM 392 CB THR A 28 -3.092 11.386 28.528 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.043 11.712 27.134 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.337 12.437 29.327 1.00 0.00 C ATOM 0 H THR A 28 -0.692 10.777 28.042 1.00 0.00 H new ATOM 0 HA THR A 28 -2.683 9.686 29.793 1.00 0.00 H new ATOM 0 HB THR A 28 -4.129 11.375 28.862 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.426 12.603 26.993 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.777 13.418 29.146 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.400 12.201 30.389 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.291 12.446 29.019 1.00 0.00 H new ATOM 402 N GLN A 29 -4.483 8.878 27.927 1.00 0.00 N ATOM 403 CA GLN A 29 -5.242 7.965 27.081 1.00 0.00 C ATOM 404 C GLN A 29 -5.095 8.337 25.610 1.00 0.00 C ATOM 405 O GLN A 29 -5.372 7.527 24.725 1.00 0.00 O ATOM 406 CB GLN A 29 -6.720 7.977 27.478 1.00 0.00 C ATOM 407 CG GLN A 29 -7.255 6.611 27.875 1.00 0.00 C ATOM 408 CD GLN A 29 -8.746 6.624 28.145 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.551 6.318 27.264 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.124 6.980 29.367 1.00 0.00 N ATOM 0 H GLN A 29 -5.048 9.404 28.594 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.843 6.961 27.224 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.858 8.668 28.310 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.308 8.360 26.644 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.040 5.896 27.081 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.731 6.265 28.766 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.423 7.226 30.066 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.115 7.008 29.606 1.00 0.00 H new ATOM 419 N GLU A 30 -4.659 9.566 25.356 1.00 0.00 N ATOM 420 CA GLU A 30 -4.477 10.045 23.991 1.00 0.00 C ATOM 421 C GLU A 30 -3.034 9.849 23.533 1.00 0.00 C ATOM 422 O GLU A 30 -2.779 9.490 22.383 1.00 0.00 O ATOM 423 CB GLU A 30 -4.859 11.523 23.890 1.00 0.00 C ATOM 424 CG GLU A 30 -4.697 12.100 22.493 1.00 0.00 C ATOM 425 CD GLU A 30 -5.697 11.529 21.506 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.853 12.000 21.494 1.00 0.00 O ATOM 427 OE2 GLU A 30 -5.323 10.611 20.747 1.00 0.00 O ATOM 0 H GLU A 30 -4.425 10.248 26.077 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.129 9.463 23.340 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.895 11.644 24.206 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.245 12.097 24.584 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.812 13.183 22.536 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.686 11.901 22.137 1.00 0.00 H new ATOM 434 N HIS A 31 -2.094 10.088 24.442 1.00 0.00 N ATOM 435 CA HIS A 31 -0.676 9.938 24.132 1.00 0.00 C ATOM 436 C HIS A 31 -0.374 8.526 23.638 1.00 0.00 C ATOM 437 O HIS A 31 0.220 8.343 22.576 1.00 0.00 O ATOM 438 CB HIS A 31 0.173 10.251 25.365 1.00 0.00 C ATOM 439 CG HIS A 31 0.471 11.710 25.531 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.789 12.279 26.746 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.500 12.716 24.627 1.00 0.00 C ATOM 442 CE1 HIS A 31 0.999 13.573 26.582 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.831 13.864 25.305 1.00 0.00 N ATOM 0 H HIS A 31 -2.288 10.386 25.398 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.426 10.643 23.339 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.345 9.891 26.254 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.112 9.702 25.299 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.300 12.632 23.569 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.263 14.274 27.360 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.931 14.790 24.890 1.00 0.00 H new ATOM 451 N VAL A 32 -0.787 7.531 24.417 1.00 0.00 N ATOM 452 CA VAL A 32 -0.562 6.136 24.058 1.00 0.00 C ATOM 453 C VAL A 32 -1.025 5.852 22.634 1.00 0.00 C ATOM 454 O VAL A 32 -0.436 5.032 21.930 1.00 0.00 O ATOM 455 CB VAL A 32 -1.292 5.183 25.023 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.186 3.746 24.537 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.734 5.321 26.431 1.00 0.00 C ATOM 0 H VAL A 32 -1.279 7.665 25.300 1.00 0.00 H new ATOM 0 HA VAL A 32 0.512 5.961 24.129 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.347 5.456 25.047 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.708 3.088 25.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.638 3.662 23.549 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.136 3.457 24.482 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.261 4.641 27.100 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.328 5.076 26.427 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.868 6.346 26.777 1.00 0.00 H new ATOM 467 N ARG A 33 -2.084 6.537 22.215 1.00 0.00 N ATOM 468 CA ARG A 33 -2.628 6.359 20.874 1.00 0.00 C ATOM 469 C ARG A 33 -1.706 6.976 19.827 1.00 0.00 C ATOM 470 O ARG A 33 -1.236 6.291 18.919 1.00 0.00 O ATOM 471 CB ARG A 33 -4.020 6.986 20.777 1.00 0.00 C ATOM 472 CG ARG A 33 -5.063 6.290 21.636 1.00 0.00 C ATOM 473 CD ARG A 33 -6.323 7.130 21.771 1.00 0.00 C ATOM 474 NE ARG A 33 -7.438 6.570 21.012 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.626 6.785 19.714 1.00 0.00 C ATOM 476 NH1 ARG A 33 -6.776 7.544 19.036 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.664 6.241 19.093 1.00 0.00 N ATOM 0 H ARG A 33 -2.582 7.220 22.785 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.705 5.289 20.680 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.959 8.033 21.072 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.346 6.967 19.737 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.313 5.325 21.196 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.649 6.092 22.625 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.600 7.201 22.823 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.122 8.144 21.425 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.109 5.981 21.505 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.977 7.964 19.511 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.922 7.708 18.040 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.320 5.657 19.612 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.807 6.407 18.097 1.00 0.00 H new ATOM 491 N GLN A 34 -1.453 8.274 19.960 1.00 0.00 N ATOM 492 CA GLN A 34 -0.588 8.984 19.025 1.00 0.00 C ATOM 493 C GLN A 34 0.737 8.251 18.846 1.00 0.00 C ATOM 494 O GLN A 34 1.198 8.047 17.722 1.00 0.00 O ATOM 495 CB GLN A 34 -0.334 10.410 19.514 1.00 0.00 C ATOM 496 CG GLN A 34 -1.428 11.392 19.125 1.00 0.00 C ATOM 497 CD GLN A 34 -1.128 12.808 19.573 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.365 13.025 20.515 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.727 13.782 18.898 1.00 0.00 N ATOM 0 H GLN A 34 -1.835 8.855 20.706 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.093 9.024 18.060 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.235 10.401 20.599 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.616 10.759 19.111 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.556 11.377 18.043 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.373 11.069 19.562 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.352 13.557 18.124 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.562 14.756 19.154 1.00 0.00 H new ATOM 508 N TRP A 35 1.346 7.859 19.959 1.00 0.00 N ATOM 509 CA TRP A 35 2.619 7.149 19.925 1.00 0.00 C ATOM 510 C TRP A 35 2.525 5.904 19.049 1.00 0.00 C ATOM 511 O TRP A 35 3.455 5.583 18.308 1.00 0.00 O ATOM 512 CB TRP A 35 3.048 6.759 21.340 1.00 0.00 C ATOM 513 CG TRP A 35 4.227 5.835 21.371 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.532 6.162 21.138 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.207 4.430 21.648 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.325 5.046 21.254 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.537 3.971 21.567 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.197 3.516 21.959 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.878 2.639 21.784 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.538 2.194 22.174 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.869 1.766 22.087 1.00 0.00 C ATOM 0 H TRP A 35 0.979 8.021 20.897 1.00 0.00 H new ATOM 0 HA TRP A 35 3.367 7.817 19.497 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.289 7.662 21.901 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.209 6.283 21.848 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.889 7.153 20.898 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.337 5.022 21.127 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.168 3.837 22.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.903 2.306 21.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.765 1.479 22.413 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.103 0.726 22.263 1.00 0.00 H new ATOM 532 N LEU A 36 1.397 5.208 19.137 1.00 0.00 N ATOM 533 CA LEU A 36 1.182 3.998 18.351 1.00 0.00 C ATOM 534 C LEU A 36 1.225 4.304 16.857 1.00 0.00 C ATOM 535 O LEU A 36 2.085 3.799 16.136 1.00 0.00 O ATOM 536 CB LEU A 36 -0.161 3.362 18.715 1.00 0.00 C ATOM 537 CG LEU A 36 -0.198 1.833 18.728 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.615 1.290 19.892 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.635 1.336 18.799 1.00 0.00 C ATOM 0 H LEU A 36 0.617 5.461 19.744 1.00 0.00 H new ATOM 0 HA LEU A 36 1.984 3.297 18.582 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.455 3.721 19.701 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.912 3.718 18.010 1.00 0.00 H new ATOM 0 HG LEU A 36 0.246 1.469 17.801 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.577 0.201 19.885 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.650 1.618 19.797 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.201 1.662 20.829 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.643 0.246 18.807 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.105 1.709 19.709 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.188 1.696 17.931 1.00 0.00 H new ATOM 551 N GLU A 37 0.293 5.134 16.401 1.00 0.00 N ATOM 552 CA GLU A 37 0.226 5.508 14.994 1.00 0.00 C ATOM 553 C GLU A 37 1.570 6.043 14.508 1.00 0.00 C ATOM 554 O GLU A 37 1.908 5.926 13.330 1.00 0.00 O ATOM 555 CB GLU A 37 -0.863 6.560 14.773 1.00 0.00 C ATOM 556 CG GLU A 37 -2.212 6.170 15.355 1.00 0.00 C ATOM 557 CD GLU A 37 -3.374 6.646 14.505 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.424 6.282 13.311 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.232 7.383 15.033 1.00 0.00 O ATOM 0 H GLU A 37 -0.426 5.560 16.986 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.020 4.615 14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.543 7.502 15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.975 6.736 13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.260 5.086 15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.305 6.587 16.358 1.00 0.00 H new ATOM 566 N TRP A 38 2.332 6.630 15.424 1.00 0.00 N ATOM 567 CA TRP A 38 3.639 7.184 15.090 1.00 0.00 C ATOM 568 C TRP A 38 4.635 6.074 14.771 1.00 0.00 C ATOM 569 O TRP A 38 5.151 5.993 13.657 1.00 0.00 O ATOM 570 CB TRP A 38 4.163 8.040 16.244 1.00 0.00 C ATOM 571 CG TRP A 38 5.607 8.415 16.098 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.151 9.217 15.136 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.689 8.002 16.939 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.508 9.327 15.328 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.862 8.592 16.428 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.782 7.193 18.074 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.110 8.395 17.014 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.021 6.999 18.655 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.171 7.598 18.125 1.00 0.00 C ATOM 0 H TRP A 38 2.067 6.735 16.404 1.00 0.00 H new ATOM 0 HA TRP A 38 3.525 7.810 14.205 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.565 8.948 16.314 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.029 7.497 17.180 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.597 9.695 14.341 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.147 9.868 14.746 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.901 6.727 18.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.998 8.855 16.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.104 6.375 19.533 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.125 7.428 18.602 1.00 0.00 H new ATOM 590 N ALA A 39 4.900 5.222 15.755 1.00 0.00 N ATOM 591 CA ALA A 39 5.832 4.116 15.577 1.00 0.00 C ATOM 592 C ALA A 39 5.488 3.302 14.334 1.00 0.00 C ATOM 593 O ALA A 39 6.368 2.718 13.700 1.00 0.00 O ATOM 594 CB ALA A 39 5.835 3.224 16.810 1.00 0.00 C ATOM 0 H ALA A 39 4.482 5.276 16.684 1.00 0.00 H new ATOM 0 HA ALA A 39 6.830 4.533 15.441 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.536 2.402 16.663 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.137 3.807 17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.834 2.823 16.972 1.00 0.00 H new ATOM 600 N ILE A 40 4.205 3.267 13.993 1.00 0.00 N ATOM 601 CA ILE A 40 3.745 2.525 12.825 1.00 0.00 C ATOM 602 C ILE A 40 4.198 3.197 11.533 1.00 0.00 C ATOM 603 O ILE A 40 4.728 2.545 10.634 1.00 0.00 O ATOM 604 CB ILE A 40 2.211 2.391 12.811 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.730 1.653 14.062 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.755 1.665 11.554 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.319 2.013 14.470 1.00 0.00 C ATOM 0 H ILE A 40 3.465 3.744 14.508 1.00 0.00 H new ATOM 0 HA ILE A 40 4.187 1.531 12.889 1.00 0.00 H new ATOM 0 HB ILE A 40 1.774 3.389 12.810 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.785 0.579 13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.406 1.875 14.888 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.669 1.578 11.558 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.071 2.227 10.675 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.199 0.670 11.527 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.044 1.453 15.364 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.262 3.081 14.680 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.368 1.765 13.661 1.00 0.00 H new ATOM 619 N LYS A 41 3.986 4.506 11.449 1.00 0.00 N ATOM 620 CA LYS A 41 4.375 5.269 10.269 1.00 0.00 C ATOM 621 C LYS A 41 5.883 5.492 10.237 1.00 0.00 C ATOM 622 O LYS A 41 6.448 5.825 9.196 1.00 0.00 O ATOM 623 CB LYS A 41 3.649 6.617 10.246 1.00 0.00 C ATOM 624 CG LYS A 41 4.013 7.523 11.409 1.00 0.00 C ATOM 625 CD LYS A 41 3.985 8.988 11.005 1.00 0.00 C ATOM 626 CE LYS A 41 5.228 9.371 10.216 1.00 0.00 C ATOM 627 NZ LYS A 41 4.885 9.928 8.878 1.00 0.00 N ATOM 0 H LYS A 41 3.547 5.061 12.184 1.00 0.00 H new ATOM 0 HA LYS A 41 4.092 4.695 9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.880 7.129 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.573 6.441 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.317 7.358 12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.006 7.265 11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.097 9.184 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.912 9.611 11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.803 10.106 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.864 8.495 10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.758 10.177 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.358 9.218 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.299 10.779 8.996 1.00 0.00 H new ATOM 641 N GLU A 42 6.529 5.305 11.384 1.00 0.00 N ATOM 642 CA GLU A 42 7.972 5.485 11.485 1.00 0.00 C ATOM 643 C GLU A 42 8.707 4.192 11.145 1.00 0.00 C ATOM 644 O GLU A 42 9.611 4.180 10.309 1.00 0.00 O ATOM 645 CB GLU A 42 8.353 5.945 12.894 1.00 0.00 C ATOM 646 CG GLU A 42 9.853 6.061 13.112 1.00 0.00 C ATOM 647 CD GLU A 42 10.286 7.476 13.443 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.929 8.399 12.681 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.983 7.660 14.463 1.00 0.00 O ATOM 0 H GLU A 42 6.076 5.029 12.255 1.00 0.00 H new ATOM 0 HA GLU A 42 8.268 6.250 10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.890 6.912 13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.942 5.243 13.620 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.151 5.395 13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.374 5.726 12.215 1.00 0.00 H new ATOM 656 N TYR A 43 8.313 3.104 11.799 1.00 0.00 N ATOM 657 CA TYR A 43 8.936 1.806 11.568 1.00 0.00 C ATOM 658 C TYR A 43 8.175 1.019 10.506 1.00 0.00 C ATOM 659 O TYR A 43 8.448 -0.160 10.277 1.00 0.00 O ATOM 660 CB TYR A 43 8.991 1.005 12.870 1.00 0.00 C ATOM 661 CG TYR A 43 9.499 1.803 14.050 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.681 2.529 13.966 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.798 1.830 15.249 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.149 3.259 15.042 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.257 2.558 16.330 1.00 0.00 C ATOM 666 CZ TYR A 43 10.433 3.270 16.221 1.00 0.00 C ATOM 667 OH TYR A 43 10.895 3.995 17.295 1.00 0.00 O ATOM 0 H TYR A 43 7.565 3.096 12.493 1.00 0.00 H new ATOM 0 HA TYR A 43 9.952 1.977 11.211 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.994 0.629 13.098 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.633 0.136 12.726 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.243 2.523 13.044 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.878 1.272 15.338 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.070 3.818 14.960 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.698 2.569 17.254 1.00 0.00 H new ATOM 0 HH TYR A 43 10.947 3.415 18.083 1.00 0.00 H new ATOM 677 N SER A 44 7.221 1.679 9.859 1.00 0.00 N ATOM 678 CA SER A 44 6.418 1.041 8.822 1.00 0.00 C ATOM 679 C SER A 44 5.823 -0.270 9.325 1.00 0.00 C ATOM 680 O SER A 44 6.242 -1.354 8.915 1.00 0.00 O ATOM 681 CB SER A 44 7.267 0.785 7.575 1.00 0.00 C ATOM 682 OG SER A 44 7.598 1.999 6.925 1.00 0.00 O ATOM 0 H SER A 44 6.985 2.656 10.034 1.00 0.00 H new ATOM 0 HA SER A 44 5.601 1.715 8.564 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.179 0.258 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.723 0.137 6.887 1.00 0.00 H new ATOM 0 HG SER A 44 8.142 1.808 6.133 1.00 0.00 H new ATOM 688 N LEU A 45 4.844 -0.165 10.217 1.00 0.00 N ATOM 689 CA LEU A 45 4.190 -1.342 10.778 1.00 0.00 C ATOM 690 C LEU A 45 2.812 -1.547 10.158 1.00 0.00 C ATOM 691 O LEU A 45 2.170 -0.593 9.719 1.00 0.00 O ATOM 692 CB LEU A 45 4.064 -1.205 12.296 1.00 0.00 C ATOM 693 CG LEU A 45 5.346 -0.846 13.047 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.098 -0.824 14.547 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.458 -1.828 12.703 1.00 0.00 C ATOM 0 H LEU A 45 4.486 0.723 10.567 1.00 0.00 H new ATOM 0 HA LEU A 45 4.804 -2.213 10.548 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.315 -0.442 12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.684 -2.146 12.695 1.00 0.00 H new ATOM 0 HG LEU A 45 5.659 0.151 12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.022 -0.567 15.065 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.334 -0.082 14.779 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.760 -1.807 14.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.363 -1.557 13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.153 -2.836 12.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.654 -1.794 11.631 1.00 0.00 H new ATOM 707 N MET A 46 2.363 -2.798 10.127 1.00 0.00 N ATOM 708 CA MET A 46 1.058 -3.127 9.563 1.00 0.00 C ATOM 709 C MET A 46 0.401 -4.262 10.342 1.00 0.00 C ATOM 710 O MET A 46 1.044 -4.920 11.158 1.00 0.00 O ATOM 711 CB MET A 46 1.199 -3.517 8.091 1.00 0.00 C ATOM 712 CG MET A 46 1.866 -2.449 7.239 1.00 0.00 C ATOM 713 SD MET A 46 1.300 -2.471 5.528 1.00 0.00 S ATOM 714 CE MET A 46 2.002 -0.940 4.919 1.00 0.00 C ATOM 0 H MET A 46 2.882 -3.599 10.485 1.00 0.00 H new ATOM 0 HA MET A 46 0.424 -2.244 9.638 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.777 -4.438 8.022 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.210 -3.730 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.666 -1.468 7.671 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.946 -2.594 7.262 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.738 -0.811 3.869 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.609 -0.104 5.497 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.087 -0.972 5.019 1.00 0.00 H new ATOM 724 N GLU A 47 -0.885 -4.483 10.084 1.00 0.00 N ATOM 725 CA GLU A 47 -1.628 -5.538 10.762 1.00 0.00 C ATOM 726 C GLU A 47 -1.708 -5.269 12.262 1.00 0.00 C ATOM 727 O GLU A 47 -1.786 -6.198 13.067 1.00 0.00 O ATOM 728 CB GLU A 47 -0.973 -6.897 10.511 1.00 0.00 C ATOM 729 CG GLU A 47 -0.622 -7.144 9.053 1.00 0.00 C ATOM 730 CD GLU A 47 -0.925 -8.563 8.612 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.725 -9.492 9.421 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.364 -8.743 7.456 1.00 0.00 O ATOM 0 H GLU A 47 -1.432 -3.946 9.411 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.640 -5.551 10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.066 -6.970 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.646 -7.684 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.178 -6.446 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.437 -6.938 8.898 1.00 0.00 H new ATOM 739 N ILE A 48 -1.688 -3.992 12.630 1.00 0.00 N ATOM 740 CA ILE A 48 -1.758 -3.601 14.033 1.00 0.00 C ATOM 741 C ILE A 48 -3.160 -3.129 14.402 1.00 0.00 C ATOM 742 O ILE A 48 -3.821 -2.442 13.622 1.00 0.00 O ATOM 743 CB ILE A 48 -0.750 -2.482 14.356 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.669 -2.261 15.868 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.142 -1.195 13.647 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.715 -1.885 16.350 1.00 0.00 C ATOM 0 H ILE A 48 -1.624 -3.211 11.977 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.508 -4.485 14.620 1.00 0.00 H new ATOM 0 HB ILE A 48 0.234 -2.785 13.998 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.369 -1.475 16.150 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.988 -3.170 16.378 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.420 -0.414 13.885 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.154 -1.362 12.570 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.134 -0.885 13.977 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.698 -1.744 17.431 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.416 -2.681 16.099 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.029 -0.959 15.868 1.00 0.00 H new ATOM 758 N ASP A 49 -3.608 -3.500 15.596 1.00 0.00 N ATOM 759 CA ASP A 49 -4.931 -3.112 16.071 1.00 0.00 C ATOM 760 C ASP A 49 -4.840 -1.922 17.022 1.00 0.00 C ATOM 761 O ASP A 49 -4.718 -2.091 18.236 1.00 0.00 O ATOM 762 CB ASP A 49 -5.610 -4.290 16.772 1.00 0.00 C ATOM 763 CG ASP A 49 -7.072 -4.021 17.069 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.356 -3.297 18.046 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.933 -4.535 16.324 1.00 0.00 O ATOM 0 H ASP A 49 -3.074 -4.069 16.253 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.529 -2.819 15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.527 -5.179 16.146 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.087 -4.506 17.703 1.00 0.00 H new ATOM 770 N THR A 50 -4.899 -0.718 16.462 1.00 0.00 N ATOM 771 CA THR A 50 -4.821 0.500 17.259 1.00 0.00 C ATOM 772 C THR A 50 -6.009 0.614 18.207 1.00 0.00 C ATOM 773 O THR A 50 -5.900 1.191 19.288 1.00 0.00 O ATOM 774 CB THR A 50 -4.769 1.753 16.365 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.979 1.867 15.609 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.578 1.696 15.420 1.00 0.00 C ATOM 0 H THR A 50 -5.001 -0.560 15.459 1.00 0.00 H new ATOM 0 HA THR A 50 -3.901 0.439 17.841 1.00 0.00 H new ATOM 0 HB THR A 50 -4.660 2.626 17.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.938 2.667 15.045 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.563 2.592 14.799 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.656 1.640 15.999 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.660 0.815 14.784 1.00 0.00 H new ATOM 784 N SER A 51 -7.145 0.060 17.794 1.00 0.00 N ATOM 785 CA SER A 51 -8.355 0.102 18.605 1.00 0.00 C ATOM 786 C SER A 51 -8.105 -0.494 19.987 1.00 0.00 C ATOM 787 O SER A 51 -8.761 -0.129 20.962 1.00 0.00 O ATOM 788 CB SER A 51 -9.488 -0.654 17.909 1.00 0.00 C ATOM 789 OG SER A 51 -10.705 0.069 17.983 1.00 0.00 O ATOM 0 H SER A 51 -7.252 -0.423 16.902 1.00 0.00 H new ATOM 0 HA SER A 51 -8.645 1.146 18.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.227 -0.826 16.865 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.614 -1.633 18.372 1.00 0.00 H new ATOM 0 HG SER A 51 -11.413 -0.435 17.530 1.00 0.00 H new ATOM 795 N PHE A 52 -7.149 -1.415 20.062 1.00 0.00 N ATOM 796 CA PHE A 52 -6.811 -2.064 21.323 1.00 0.00 C ATOM 797 C PHE A 52 -6.181 -1.071 22.295 1.00 0.00 C ATOM 798 O PHE A 52 -6.234 -1.256 23.511 1.00 0.00 O ATOM 799 CB PHE A 52 -5.853 -3.233 21.079 1.00 0.00 C ATOM 800 CG PHE A 52 -6.032 -4.367 22.047 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.339 -4.387 23.247 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.893 -5.413 21.758 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.501 -5.429 24.141 1.00 0.00 C ATOM 804 CE2 PHE A 52 -7.060 -6.457 22.648 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.362 -6.466 23.840 1.00 0.00 C ATOM 0 H PHE A 52 -6.595 -1.728 19.265 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.732 -2.444 21.765 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.998 -3.605 20.065 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.827 -2.871 21.142 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.664 -3.579 23.487 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.440 -5.413 20.827 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.955 -5.432 25.073 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.736 -7.265 22.412 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.489 -7.283 24.535 1.00 0.00 H new ATOM 815 N PHE A 53 -5.586 -0.015 21.749 1.00 0.00 N ATOM 816 CA PHE A 53 -4.944 1.008 22.567 1.00 0.00 C ATOM 817 C PHE A 53 -5.686 2.337 22.456 1.00 0.00 C ATOM 818 O PHE A 53 -5.112 3.400 22.691 1.00 0.00 O ATOM 819 CB PHE A 53 -3.485 1.188 22.143 1.00 0.00 C ATOM 820 CG PHE A 53 -2.735 -0.106 22.010 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.797 -0.840 20.836 1.00 0.00 C ATOM 822 CD2 PHE A 53 -1.968 -0.589 23.058 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.107 -2.032 20.710 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.276 -1.779 22.937 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.347 -2.502 21.762 1.00 0.00 C ATOM 0 H PHE A 53 -5.535 0.155 20.744 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.975 0.680 23.606 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.455 1.716 21.190 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.978 1.819 22.873 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.391 -0.477 20.010 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.910 -0.029 23.980 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.163 -2.594 19.790 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.680 -2.144 23.761 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.809 -3.433 21.667 1.00 0.00 H new ATOM 835 N GLN A 54 -6.963 2.266 22.096 1.00 0.00 N ATOM 836 CA GLN A 54 -7.783 3.463 21.952 1.00 0.00 C ATOM 837 C GLN A 54 -8.002 4.138 23.302 1.00 0.00 C ATOM 838 O GLN A 54 -8.105 5.361 23.386 1.00 0.00 O ATOM 839 CB GLN A 54 -9.131 3.111 21.320 1.00 0.00 C ATOM 840 CG GLN A 54 -10.039 2.305 22.234 1.00 0.00 C ATOM 841 CD GLN A 54 -11.362 1.956 21.582 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.228 2.815 21.411 1.00 0.00 O ATOM 843 NE2 GLN A 54 -11.526 0.691 21.214 1.00 0.00 N ATOM 0 H GLN A 54 -7.452 1.393 21.899 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.255 4.158 21.300 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.641 4.031 21.035 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.957 2.546 20.404 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.530 1.387 22.528 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.226 2.872 23.146 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.782 0.012 21.375 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.396 0.398 20.770 1.00 0.00 H new ATOM 852 N ASN A 55 -8.071 3.332 24.357 1.00 0.00 N ATOM 853 CA ASN A 55 -8.278 3.852 25.704 1.00 0.00 C ATOM 854 C ASN A 55 -7.293 3.227 26.686 1.00 0.00 C ATOM 855 O ASN A 55 -7.625 2.986 27.846 1.00 0.00 O ATOM 856 CB ASN A 55 -9.713 3.582 26.162 1.00 0.00 C ATOM 857 CG ASN A 55 -10.159 2.164 25.861 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.424 1.206 26.101 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.368 2.024 25.331 1.00 0.00 N ATOM 0 H ASN A 55 -7.987 2.317 24.305 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.107 4.928 25.681 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.790 3.764 27.234 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.387 4.284 25.670 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.722 1.094 25.106 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.943 2.846 25.149 1.00 0.00 H new ATOM 866 N MET A 56 -6.078 2.966 26.212 1.00 0.00 N ATOM 867 CA MET A 56 -5.044 2.371 27.050 1.00 0.00 C ATOM 868 C MET A 56 -4.104 3.441 27.597 1.00 0.00 C ATOM 869 O MET A 56 -3.202 3.904 26.899 1.00 0.00 O ATOM 870 CB MET A 56 -4.247 1.335 26.254 1.00 0.00 C ATOM 871 CG MET A 56 -3.254 0.553 27.097 1.00 0.00 C ATOM 872 SD MET A 56 -3.717 -1.180 27.287 1.00 0.00 S ATOM 873 CE MET A 56 -3.472 -1.780 25.617 1.00 0.00 C ATOM 0 H MET A 56 -5.787 3.157 25.253 1.00 0.00 H new ATOM 0 HA MET A 56 -5.532 1.877 27.890 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.941 0.638 25.784 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.711 1.840 25.451 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.267 0.613 26.638 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.176 1.014 28.081 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.898 -2.779 25.523 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.963 -1.108 24.913 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.405 -1.819 25.397 1.00 0.00 H new ATOM 883 N ASP A 57 -4.323 3.828 28.849 1.00 0.00 N ATOM 884 CA ASP A 57 -3.495 4.844 29.490 1.00 0.00 C ATOM 885 C ASP A 57 -2.034 4.406 29.533 1.00 0.00 C ATOM 886 O ASP A 57 -1.734 3.214 29.586 1.00 0.00 O ATOM 887 CB ASP A 57 -3.998 5.122 30.907 1.00 0.00 C ATOM 888 CG ASP A 57 -4.344 3.852 31.659 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.425 3.238 32.239 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.534 3.472 31.666 1.00 0.00 O ATOM 0 H ASP A 57 -5.066 3.454 29.440 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.565 5.759 28.902 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.235 5.671 31.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.878 5.763 30.858 1.00 0.00 H new ATOM 895 N GLY A 58 -1.129 5.380 29.509 1.00 0.00 N ATOM 896 CA GLY A 58 0.290 5.075 29.544 1.00 0.00 C ATOM 897 C GLY A 58 0.634 4.037 30.594 1.00 0.00 C ATOM 898 O GLY A 58 1.534 3.220 30.400 1.00 0.00 O ATOM 0 H GLY A 58 -1.353 6.374 29.466 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.605 4.715 28.565 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.850 5.989 29.743 1.00 0.00 H new ATOM 902 N LYS A 59 -0.083 4.070 31.713 1.00 0.00 N ATOM 903 CA LYS A 59 0.150 3.126 32.799 1.00 0.00 C ATOM 904 C LYS A 59 -0.194 1.704 32.368 1.00 0.00 C ATOM 905 O LYS A 59 0.550 0.764 32.646 1.00 0.00 O ATOM 906 CB LYS A 59 -0.679 3.513 34.026 1.00 0.00 C ATOM 907 CG LYS A 59 -0.282 4.848 34.632 1.00 0.00 C ATOM 908 CD LYS A 59 0.680 4.668 35.794 1.00 0.00 C ATOM 909 CE LYS A 59 2.020 4.118 35.328 1.00 0.00 C ATOM 910 NZ LYS A 59 2.081 2.635 35.445 1.00 0.00 N ATOM 0 H LYS A 59 -0.830 4.741 31.891 1.00 0.00 H new ATOM 0 HA LYS A 59 1.208 3.162 33.057 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.732 3.549 33.746 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.577 2.735 34.783 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.181 5.472 33.868 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.174 5.373 34.975 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.832 5.625 36.294 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.243 3.991 36.528 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.191 4.408 34.291 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.821 4.562 35.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.752 2.373 36.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.137 2.266 35.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.397 2.228 34.541 1.00 0.00 H new ATOM 924 N GLU A 60 -1.326 1.554 31.687 1.00 0.00 N ATOM 925 CA GLU A 60 -1.767 0.246 31.217 1.00 0.00 C ATOM 926 C GLU A 60 -1.002 -0.168 29.964 1.00 0.00 C ATOM 927 O GLU A 60 -1.076 -1.318 29.529 1.00 0.00 O ATOM 928 CB GLU A 60 -3.270 0.263 30.929 1.00 0.00 C ATOM 929 CG GLU A 60 -4.129 0.333 32.180 1.00 0.00 C ATOM 930 CD GLU A 60 -4.498 -1.039 32.712 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.160 -1.802 31.978 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.123 -1.349 33.862 1.00 0.00 O ATOM 0 H GLU A 60 -1.954 2.322 31.449 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.563 -0.482 32.003 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.500 1.118 30.293 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.534 -0.633 30.367 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.595 0.887 32.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.040 0.890 31.960 1.00 0.00 H new ATOM 939 N LEU A 61 -0.268 0.777 29.387 1.00 0.00 N ATOM 940 CA LEU A 61 0.511 0.511 28.182 1.00 0.00 C ATOM 941 C LEU A 61 1.910 0.019 28.536 1.00 0.00 C ATOM 942 O LEU A 61 2.489 -0.802 27.824 1.00 0.00 O ATOM 943 CB LEU A 61 0.603 1.773 27.323 1.00 0.00 C ATOM 944 CG LEU A 61 1.618 1.734 26.179 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.159 0.775 25.091 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.833 3.128 25.608 1.00 0.00 C ATOM 0 H LEU A 61 -0.196 1.734 29.733 1.00 0.00 H new ATOM 0 HA LEU A 61 0.004 -0.270 27.616 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.382 1.974 26.902 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.849 2.613 27.972 1.00 0.00 H new ATOM 0 HG LEU A 61 2.568 1.375 26.574 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.893 0.760 24.286 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.058 -0.227 25.508 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.197 1.104 24.699 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.558 3.081 24.795 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.888 3.516 25.229 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.208 3.788 26.390 1.00 0.00 H new ATOM 958 N CYS A 62 2.447 0.525 29.641 1.00 0.00 N ATOM 959 CA CYS A 62 3.779 0.136 30.091 1.00 0.00 C ATOM 960 C CYS A 62 3.734 -1.191 30.841 1.00 0.00 C ATOM 961 O CYS A 62 4.763 -1.833 31.052 1.00 0.00 O ATOM 962 CB CYS A 62 4.375 1.222 30.988 1.00 0.00 C ATOM 963 SG CYS A 62 3.584 1.356 32.608 1.00 0.00 S ATOM 0 H CYS A 62 1.981 1.205 30.241 1.00 0.00 H new ATOM 0 HA CYS A 62 4.411 0.014 29.211 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.437 1.019 31.129 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.299 2.182 30.478 1.00 0.00 H new ATOM 0 HG CYS A 62 2.317 1.088 32.496 1.00 0.00 H new ATOM 969 N LYS A 63 2.534 -1.597 31.242 1.00 0.00 N ATOM 970 CA LYS A 63 2.352 -2.848 31.969 1.00 0.00 C ATOM 971 C LYS A 63 2.128 -4.009 31.007 1.00 0.00 C ATOM 972 O LYS A 63 2.476 -5.151 31.305 1.00 0.00 O ATOM 973 CB LYS A 63 1.169 -2.734 32.933 1.00 0.00 C ATOM 974 CG LYS A 63 -0.184 -2.777 32.243 1.00 0.00 C ATOM 975 CD LYS A 63 -1.323 -2.737 33.247 1.00 0.00 C ATOM 976 CE LYS A 63 -1.663 -4.128 33.760 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.134 -4.340 33.855 1.00 0.00 N ATOM 0 H LYS A 63 1.672 -1.077 31.076 1.00 0.00 H new ATOM 0 HA LYS A 63 3.260 -3.043 32.540 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.223 -3.545 33.659 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.254 -1.801 33.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.271 -1.933 31.558 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.259 -3.684 31.643 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.049 -2.096 34.085 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.204 -2.294 32.782 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.230 -4.876 33.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.211 -4.274 34.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.350 -4.899 34.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.614 -3.419 33.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.466 -4.850 33.012 1.00 0.00 H new ATOM 991 N MET A 64 1.546 -3.709 29.850 1.00 0.00 N ATOM 992 CA MET A 64 1.278 -4.729 28.843 1.00 0.00 C ATOM 993 C MET A 64 2.537 -5.531 28.533 1.00 0.00 C ATOM 994 O MET A 64 3.652 -5.023 28.647 1.00 0.00 O ATOM 995 CB MET A 64 0.742 -4.084 27.563 1.00 0.00 C ATOM 996 CG MET A 64 -0.668 -3.534 27.704 1.00 0.00 C ATOM 997 SD MET A 64 -1.895 -4.540 26.847 1.00 0.00 S ATOM 998 CE MET A 64 -1.293 -4.445 25.162 1.00 0.00 C ATOM 0 H MET A 64 1.251 -2.769 29.587 1.00 0.00 H new ATOM 0 HA MET A 64 0.525 -5.409 29.242 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.410 -3.276 27.266 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.757 -4.821 26.761 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.927 -3.475 28.761 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.698 -2.518 27.311 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.138 -4.379 24.477 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.665 -3.562 25.049 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.710 -5.337 24.933 1.00 0.00 H new ATOM 1008 N ASN A 65 2.352 -6.788 28.141 1.00 0.00 N ATOM 1009 CA ASN A 65 3.474 -7.660 27.816 1.00 0.00 C ATOM 1010 C ASN A 65 3.384 -8.148 26.373 1.00 0.00 C ATOM 1011 O ASN A 65 2.435 -7.828 25.656 1.00 0.00 O ATOM 1012 CB ASN A 65 3.510 -8.857 28.769 1.00 0.00 C ATOM 1013 CG ASN A 65 3.010 -8.505 30.157 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.438 -7.516 30.751 1.00 0.00 O ATOM 1015 ND2 ASN A 65 2.098 -9.317 30.679 1.00 0.00 N ATOM 0 H ASN A 65 1.436 -7.225 28.041 1.00 0.00 H new ATOM 0 HA ASN A 65 4.393 -7.085 27.930 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.901 -9.663 28.360 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.531 -9.233 28.838 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.723 -9.132 31.609 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.772 -10.126 30.150 1.00 0.00 H new ATOM 1022 N LYS A 66 4.377 -8.925 25.953 1.00 0.00 N ATOM 1023 CA LYS A 66 4.410 -9.459 24.597 1.00 0.00 C ATOM 1024 C LYS A 66 3.098 -10.158 24.255 1.00 0.00 C ATOM 1025 O LYS A 66 2.591 -10.034 23.142 1.00 0.00 O ATOM 1026 CB LYS A 66 5.577 -10.437 24.441 1.00 0.00 C ATOM 1027 CG LYS A 66 5.815 -10.875 23.006 1.00 0.00 C ATOM 1028 CD LYS A 66 7.175 -10.420 22.502 1.00 0.00 C ATOM 1029 CE LYS A 66 7.421 -10.878 21.073 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.693 -11.641 20.946 1.00 0.00 N ATOM 0 H LYS A 66 5.170 -9.199 26.533 1.00 0.00 H new ATOM 0 HA LYS A 66 4.547 -8.626 23.908 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.484 -9.971 24.825 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.387 -11.318 25.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.746 -11.961 22.940 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.033 -10.466 22.366 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.238 -9.333 22.553 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.956 -10.815 23.152 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.590 -11.501 20.743 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.451 -10.011 20.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.070 -11.530 19.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.385 -11.279 21.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.514 -12.648 21.134 1.00 0.00 H new ATOM 1044 N GLU A 67 2.555 -10.892 25.222 1.00 0.00 N ATOM 1045 CA GLU A 67 1.301 -11.610 25.022 1.00 0.00 C ATOM 1046 C GLU A 67 0.146 -10.637 24.804 1.00 0.00 C ATOM 1047 O GLU A 67 -0.534 -10.683 23.779 1.00 0.00 O ATOM 1048 CB GLU A 67 1.006 -12.510 26.223 1.00 0.00 C ATOM 1049 CG GLU A 67 1.328 -13.974 25.981 1.00 0.00 C ATOM 1050 CD GLU A 67 0.166 -14.734 25.370 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.121 -14.516 24.174 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.455 -15.546 26.087 1.00 0.00 O ATOM 0 H GLU A 67 2.963 -11.005 26.150 1.00 0.00 H new ATOM 0 HA GLU A 67 1.404 -12.229 24.131 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.580 -12.157 27.080 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.048 -12.417 26.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.193 -14.048 25.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.607 -14.442 26.925 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.070 -9.758 25.777 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.143 -8.773 25.693 1.00 0.00 C ATOM 1061 C ASP A 68 -0.999 -7.919 24.437 1.00 0.00 C ATOM 1062 O ASP A 68 -1.989 -7.447 23.878 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.142 -7.880 26.935 1.00 0.00 C ATOM 1064 CG ASP A 68 -0.997 -8.674 28.218 1.00 0.00 C ATOM 1065 OD1 ASP A 68 0.118 -9.167 28.488 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -1.999 -8.803 28.953 1.00 0.00 O ATOM 0 H ASP A 68 0.483 -9.707 26.632 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.091 -9.308 25.640 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.326 -7.161 26.862 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.069 -7.307 26.968 1.00 0.00 H new ATOM 1071 N PHE A 69 0.240 -7.724 23.999 1.00 0.00 N ATOM 1072 CA PHE A 69 0.514 -6.924 22.810 1.00 0.00 C ATOM 1073 C PHE A 69 0.262 -7.733 21.541 1.00 0.00 C ATOM 1074 O PHE A 69 -0.176 -7.194 20.524 1.00 0.00 O ATOM 1075 CB PHE A 69 1.959 -6.421 22.829 1.00 0.00 C ATOM 1076 CG PHE A 69 2.101 -5.028 23.371 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.664 -3.937 22.637 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.673 -4.808 24.614 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.793 -2.653 23.133 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.804 -3.527 25.115 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.365 -2.448 24.373 1.00 0.00 C ATOM 0 H PHE A 69 1.071 -8.109 24.449 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.161 -6.068 22.815 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.564 -7.100 23.430 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.359 -6.451 21.816 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.217 -4.092 21.666 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.020 -5.648 25.198 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.447 -1.811 22.551 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.249 -3.370 26.086 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.469 -1.446 24.762 1.00 0.00 H new ATOM 1091 N LEU A 70 0.543 -9.030 21.608 1.00 0.00 N ATOM 1092 CA LEU A 70 0.347 -9.915 20.465 1.00 0.00 C ATOM 1093 C LEU A 70 -1.137 -10.099 20.166 1.00 0.00 C ATOM 1094 O LEU A 70 -1.512 -10.523 19.073 1.00 0.00 O ATOM 1095 CB LEU A 70 0.998 -11.274 20.730 1.00 0.00 C ATOM 1096 CG LEU A 70 2.394 -11.476 20.140 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.959 -12.825 20.556 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.355 -11.357 18.624 1.00 0.00 C ATOM 0 H LEU A 70 0.907 -9.492 22.441 1.00 0.00 H new ATOM 0 HA LEU A 70 0.819 -9.456 19.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.056 -11.422 21.808 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.343 -12.051 20.336 1.00 0.00 H new ATOM 0 HG LEU A 70 3.048 -10.695 20.529 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.953 -12.951 20.127 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.024 -12.873 21.643 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.305 -13.620 20.197 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.357 -11.504 18.222 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.686 -12.115 18.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.994 -10.367 18.346 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.977 -9.776 21.144 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.420 -9.905 20.985 1.00 0.00 C ATOM 1112 C ARG A 71 -3.999 -8.688 20.270 1.00 0.00 C ATOM 1113 O ARG A 71 -5.210 -8.590 20.070 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.092 -10.075 22.349 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.698 -11.356 23.066 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.769 -11.795 24.052 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.743 -13.236 24.285 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.564 -13.861 25.121 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.472 -13.174 25.800 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.478 -15.176 25.279 1.00 0.00 N ATOM 0 H ARG A 71 -1.683 -9.423 22.055 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.615 -10.789 20.378 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.837 -9.223 22.979 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.174 -10.061 22.216 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.529 -12.146 22.335 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.756 -11.204 23.594 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.626 -11.273 24.998 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.750 -11.507 23.673 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.056 -13.794 23.777 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.541 -12.163 25.681 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.102 -13.656 26.442 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.781 -15.708 24.758 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.109 -15.655 25.921 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.126 -7.762 19.887 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.550 -6.553 19.193 1.00 0.00 C ATOM 1136 C ALA A 72 -2.668 -6.278 17.979 1.00 0.00 C ATOM 1137 O ALA A 72 -3.152 -5.859 16.928 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.529 -5.364 20.142 1.00 0.00 C ATOM 0 H ALA A 72 -2.121 -7.826 20.046 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.570 -6.706 18.841 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.848 -4.468 19.610 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.206 -5.552 20.975 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.518 -5.220 20.522 1.00 0.00 H new ATOM 1144 N THR A 73 -1.368 -6.516 18.132 1.00 0.00 N ATOM 1145 CA THR A 73 -0.418 -6.293 17.050 1.00 0.00 C ATOM 1146 C THR A 73 0.360 -7.564 16.730 1.00 0.00 C ATOM 1147 O THR A 73 0.495 -8.451 17.574 1.00 0.00 O ATOM 1148 CB THR A 73 0.577 -5.170 17.398 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.272 -4.748 16.220 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.578 -5.640 18.443 1.00 0.00 C ATOM 0 H THR A 73 -0.950 -6.863 18.995 1.00 0.00 H new ATOM 0 HA THR A 73 -0.999 -5.996 16.177 1.00 0.00 H new ATOM 0 HB THR A 73 0.015 -4.330 17.807 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.648 -4.721 15.464 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.271 -4.831 18.673 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.048 -5.933 19.349 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.134 -6.494 18.056 1.00 0.00 H new ATOM 1158 N THR A 74 0.870 -7.648 15.505 1.00 0.00 N ATOM 1159 CA THR A 74 1.634 -8.812 15.073 1.00 0.00 C ATOM 1160 C THR A 74 2.904 -8.973 15.901 1.00 0.00 C ATOM 1161 O THR A 74 3.321 -8.051 16.604 1.00 0.00 O ATOM 1162 CB THR A 74 2.015 -8.713 13.584 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.749 -9.876 13.188 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.847 -7.467 13.319 1.00 0.00 C ATOM 0 H THR A 74 0.768 -6.923 14.794 1.00 0.00 H new ATOM 0 HA THR A 74 0.994 -9.682 15.219 1.00 0.00 H new ATOM 0 HB THR A 74 1.097 -8.647 13.001 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.986 -9.806 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.104 -7.419 12.261 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.274 -6.582 13.594 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.760 -7.506 13.913 1.00 0.00 H new ATOM 1172 N LEU A 75 3.517 -10.148 15.812 1.00 0.00 N ATOM 1173 CA LEU A 75 4.742 -10.430 16.553 1.00 0.00 C ATOM 1174 C LEU A 75 5.834 -9.426 16.202 1.00 0.00 C ATOM 1175 O LEU A 75 6.436 -8.814 17.084 1.00 0.00 O ATOM 1176 CB LEU A 75 5.225 -11.851 16.256 1.00 0.00 C ATOM 1177 CG LEU A 75 6.639 -12.191 16.727 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.705 -12.216 18.246 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.087 -13.527 16.150 1.00 0.00 C ATOM 0 H LEU A 75 3.186 -10.921 15.234 1.00 0.00 H new ATOM 0 HA LEU A 75 4.522 -10.342 17.617 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.531 -12.553 16.718 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.173 -12.013 15.179 1.00 0.00 H new ATOM 0 HG LEU A 75 7.316 -11.417 16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.719 -12.460 18.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.428 -11.238 18.638 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.015 -12.969 18.628 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.096 -13.753 16.496 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.406 -14.312 16.479 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.080 -13.474 15.061 1.00 0.00 H new ATOM 1191 N TYR A 76 6.084 -9.259 14.908 1.00 0.00 N ATOM 1192 CA TYR A 76 7.104 -8.329 14.439 1.00 0.00 C ATOM 1193 C TYR A 76 6.940 -6.963 15.100 1.00 0.00 C ATOM 1194 O TYR A 76 7.888 -6.414 15.659 1.00 0.00 O ATOM 1195 CB TYR A 76 7.032 -8.184 12.918 1.00 0.00 C ATOM 1196 CG TYR A 76 8.147 -7.344 12.337 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.139 -5.960 12.464 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.208 -7.934 11.661 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.155 -5.189 11.934 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.229 -7.170 11.129 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.197 -5.798 11.267 1.00 0.00 C ATOM 1202 OH TYR A 76 11.212 -5.033 10.739 1.00 0.00 O ATOM 0 H TYR A 76 5.594 -9.756 14.165 1.00 0.00 H new ATOM 0 HA TYR A 76 8.080 -8.731 14.713 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.061 -9.175 12.465 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.074 -7.738 12.649 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.325 -5.479 12.986 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.235 -9.008 11.550 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.133 -4.115 12.041 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.047 -7.644 10.608 1.00 0.00 H new ATOM 0 HH TYR A 76 11.868 -5.616 10.303 1.00 0.00 H new ATOM 1212 N ASN A 77 5.728 -6.421 15.030 1.00 0.00 N ATOM 1213 CA ASN A 77 5.438 -5.120 15.621 1.00 0.00 C ATOM 1214 C ASN A 77 5.577 -5.169 17.140 1.00 0.00 C ATOM 1215 O ASN A 77 6.030 -4.209 17.765 1.00 0.00 O ATOM 1216 CB ASN A 77 4.027 -4.667 15.241 1.00 0.00 C ATOM 1217 CG ASN A 77 3.886 -4.397 13.756 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.879 -4.304 13.034 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.649 -4.270 13.292 1.00 0.00 N ATOM 0 H ASN A 77 4.932 -6.863 14.570 1.00 0.00 H new ATOM 0 HA ASN A 77 6.160 -4.403 15.231 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.310 -5.433 15.538 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.776 -3.764 15.797 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.492 -4.088 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.855 -4.355 13.927 1.00 0.00 H new ATOM 1226 N THR A 78 5.185 -6.294 17.729 1.00 0.00 N ATOM 1227 CA THR A 78 5.265 -6.469 19.173 1.00 0.00 C ATOM 1228 C THR A 78 6.692 -6.273 19.673 1.00 0.00 C ATOM 1229 O THR A 78 6.915 -5.663 20.718 1.00 0.00 O ATOM 1230 CB THR A 78 4.771 -7.864 19.599 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.407 -8.044 19.200 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.892 -8.046 21.104 1.00 0.00 C ATOM 0 H THR A 78 4.809 -7.098 17.227 1.00 0.00 H new ATOM 0 HA THR A 78 4.620 -5.712 19.618 1.00 0.00 H new ATOM 0 HB THR A 78 5.395 -8.611 19.108 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.376 -8.348 18.269 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.537 -9.039 21.380 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.935 -7.938 21.401 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.291 -7.292 21.611 1.00 0.00 H new ATOM 1240 N GLU A 79 7.655 -6.794 18.918 1.00 0.00 N ATOM 1241 CA GLU A 79 9.061 -6.676 19.286 1.00 0.00 C ATOM 1242 C GLU A 79 9.519 -5.222 19.224 1.00 0.00 C ATOM 1243 O GLU A 79 10.300 -4.769 20.061 1.00 0.00 O ATOM 1244 CB GLU A 79 9.926 -7.535 18.362 1.00 0.00 C ATOM 1245 CG GLU A 79 9.886 -9.017 18.693 1.00 0.00 C ATOM 1246 CD GLU A 79 11.188 -9.724 18.368 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.511 -9.846 17.167 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.882 -10.154 19.312 1.00 0.00 O ATOM 0 H GLU A 79 7.487 -7.301 18.049 1.00 0.00 H new ATOM 0 HA GLU A 79 9.174 -7.031 20.311 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.596 -7.392 17.333 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.957 -7.187 18.417 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.664 -9.143 19.753 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.074 -9.487 18.139 1.00 0.00 H new ATOM 1255 N VAL A 80 9.027 -4.495 18.226 1.00 0.00 N ATOM 1256 CA VAL A 80 9.385 -3.092 18.054 1.00 0.00 C ATOM 1257 C VAL A 80 8.870 -2.247 19.214 1.00 0.00 C ATOM 1258 O VAL A 80 9.639 -1.548 19.876 1.00 0.00 O ATOM 1259 CB VAL A 80 8.825 -2.527 16.735 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.135 -1.043 16.615 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.385 -3.295 15.547 1.00 0.00 C ATOM 0 H VAL A 80 8.380 -4.854 17.524 1.00 0.00 H new ATOM 0 HA VAL A 80 10.474 -3.045 18.028 1.00 0.00 H new ATOM 0 HB VAL A 80 7.742 -2.648 16.739 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.732 -0.662 15.677 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.681 -0.508 17.449 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.215 -0.894 16.633 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.979 -2.883 14.623 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.471 -3.208 15.537 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.106 -4.346 15.629 1.00 0.00 H new ATOM 1271 N LEU A 81 7.566 -2.317 19.457 1.00 0.00 N ATOM 1272 CA LEU A 81 6.947 -1.559 20.539 1.00 0.00 C ATOM 1273 C LEU A 81 7.608 -1.880 21.876 1.00 0.00 C ATOM 1274 O LEU A 81 8.083 -0.986 22.577 1.00 0.00 O ATOM 1275 CB LEU A 81 5.450 -1.863 20.610 1.00 0.00 C ATOM 1276 CG LEU A 81 4.638 -1.537 19.356 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.196 -1.989 19.521 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.701 -0.047 19.053 1.00 0.00 C ATOM 0 H LEU A 81 6.917 -2.891 18.919 1.00 0.00 H new ATOM 0 HA LEU A 81 7.086 -0.498 20.332 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.325 -2.922 20.834 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.026 -1.308 21.447 1.00 0.00 H new ATOM 0 HG LEU A 81 5.072 -2.077 18.515 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.634 -1.749 18.619 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.169 -3.066 19.689 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.750 -1.477 20.374 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.118 0.167 18.157 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.293 0.513 19.894 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.738 0.248 18.890 1.00 0.00 H new ATOM 1290 N LEU A 82 7.635 -3.163 22.223 1.00 0.00 N ATOM 1291 CA LEU A 82 8.239 -3.604 23.475 1.00 0.00 C ATOM 1292 C LEU A 82 9.674 -3.100 23.594 1.00 0.00 C ATOM 1293 O LEU A 82 10.071 -2.566 24.630 1.00 0.00 O ATOM 1294 CB LEU A 82 8.213 -5.130 23.567 1.00 0.00 C ATOM 1295 CG LEU A 82 6.990 -5.740 24.252 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.010 -5.443 25.743 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.708 -5.219 23.619 1.00 0.00 C ATOM 0 H LEU A 82 7.246 -3.915 21.655 1.00 0.00 H new ATOM 0 HA LEU A 82 7.657 -3.187 24.297 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.279 -5.536 22.558 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.105 -5.457 24.102 1.00 0.00 H new ATOM 0 HG LEU A 82 7.024 -6.821 24.117 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.132 -5.885 26.214 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.911 -5.866 26.186 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.001 -4.364 25.899 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.848 -5.664 24.120 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.666 -4.135 23.721 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.690 -5.485 22.562 1.00 0.00 H new ATOM 1309 N SER A 83 10.447 -3.272 22.527 1.00 0.00 N ATOM 1310 CA SER A 83 11.839 -2.837 22.512 1.00 0.00 C ATOM 1311 C SER A 83 11.938 -1.327 22.712 1.00 0.00 C ATOM 1312 O SER A 83 12.754 -0.846 23.499 1.00 0.00 O ATOM 1313 CB SER A 83 12.505 -3.233 21.193 1.00 0.00 C ATOM 1314 OG SER A 83 13.868 -2.845 21.174 1.00 0.00 O ATOM 0 H SER A 83 10.133 -3.710 21.661 1.00 0.00 H new ATOM 0 HA SER A 83 12.357 -3.330 23.334 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.428 -4.311 21.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.979 -2.765 20.361 1.00 0.00 H new ATOM 0 HG SER A 83 14.272 -3.110 20.321 1.00 0.00 H new ATOM 1320 N HIS A 84 11.100 -0.586 21.994 1.00 0.00 N ATOM 1321 CA HIS A 84 11.092 0.870 22.092 1.00 0.00 C ATOM 1322 C HIS A 84 10.738 1.317 23.508 1.00 0.00 C ATOM 1323 O HIS A 84 11.506 2.030 24.155 1.00 0.00 O ATOM 1324 CB HIS A 84 10.098 1.464 21.094 1.00 0.00 C ATOM 1325 CG HIS A 84 10.314 2.922 20.829 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.294 3.562 20.149 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.463 3.905 21.288 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 11.019 4.906 20.208 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.908 5.086 20.900 1.00 0.00 N flip ATOM 0 H HIS A 84 10.418 -0.969 21.339 1.00 0.00 H new ATOM 0 HA HIS A 84 12.093 1.231 21.855 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.170 0.918 20.154 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.086 1.318 21.471 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.572 3.735 21.874 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.614 5.689 19.761 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.469 5.984 21.100 1.00 0.00 H new ATOM 1337 N LEU A 85 9.572 0.894 23.982 1.00 0.00 N ATOM 1338 CA LEU A 85 9.115 1.251 25.321 1.00 0.00 C ATOM 1339 C LEU A 85 10.122 0.804 26.376 1.00 0.00 C ATOM 1340 O LEU A 85 10.280 1.452 27.411 1.00 0.00 O ATOM 1341 CB LEU A 85 7.751 0.620 25.601 1.00 0.00 C ATOM 1342 CG LEU A 85 6.700 1.542 26.221 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.607 1.860 25.213 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.107 0.909 27.472 1.00 0.00 C ATOM 0 H LEU A 85 8.925 0.303 23.459 1.00 0.00 H new ATOM 0 HA LEU A 85 9.022 2.336 25.370 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.355 0.229 24.664 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.896 -0.231 26.266 1.00 0.00 H new ATOM 0 HG LEU A 85 7.186 2.475 26.505 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.868 2.517 25.672 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.044 2.356 24.346 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.124 0.936 24.897 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.361 1.579 27.900 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.637 -0.039 27.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.898 0.734 28.201 1.00 0.00 H new ATOM 1356 N SER A 86 10.801 -0.306 26.106 1.00 0.00 N ATOM 1357 CA SER A 86 11.791 -0.841 27.034 1.00 0.00 C ATOM 1358 C SER A 86 12.792 0.236 27.440 1.00 0.00 C ATOM 1359 O SER A 86 13.326 0.216 28.549 1.00 0.00 O ATOM 1360 CB SER A 86 12.527 -2.024 26.401 1.00 0.00 C ATOM 1361 OG SER A 86 12.259 -3.225 27.103 1.00 0.00 O ATOM 0 H SER A 86 10.684 -0.852 25.253 1.00 0.00 H new ATOM 0 HA SER A 86 11.268 -1.183 27.927 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.222 -2.132 25.360 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.600 -1.831 26.400 1.00 0.00 H new ATOM 0 HG SER A 86 12.739 -3.966 26.678 1.00 0.00 H new ATOM 1367 N TYR A 87 13.041 1.176 26.535 1.00 0.00 N ATOM 1368 CA TYR A 87 13.980 2.261 26.797 1.00 0.00 C ATOM 1369 C TYR A 87 13.273 3.448 27.442 1.00 0.00 C ATOM 1370 O TYR A 87 13.718 3.971 28.465 1.00 0.00 O ATOM 1371 CB TYR A 87 14.658 2.701 25.499 1.00 0.00 C ATOM 1372 CG TYR A 87 15.475 3.965 25.641 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.722 3.946 26.252 1.00 0.00 C ATOM 1374 CD2 TYR A 87 14.999 5.180 25.162 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.471 5.099 26.385 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.742 6.338 25.289 1.00 0.00 C ATOM 1377 CZ TYR A 87 16.977 6.292 25.902 1.00 0.00 C ATOM 1378 OH TYR A 87 17.720 7.443 26.031 1.00 0.00 O ATOM 0 H TYR A 87 12.606 1.209 25.613 1.00 0.00 H new ATOM 0 HA TYR A 87 14.738 1.893 27.488 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.305 1.898 25.147 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.896 2.855 24.735 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.113 3.013 26.630 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.032 5.220 24.682 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.438 5.066 26.865 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.358 7.274 24.911 1.00 0.00 H new ATOM 0 HH TYR A 87 17.229 8.195 25.638 1.00 0.00 H new ATOM 1388 N LEU A 88 12.167 3.870 26.838 1.00 0.00 N ATOM 1389 CA LEU A 88 11.396 4.996 27.353 1.00 0.00 C ATOM 1390 C LEU A 88 11.032 4.782 28.819 1.00 0.00 C ATOM 1391 O LEU A 88 11.072 5.715 29.621 1.00 0.00 O ATOM 1392 CB LEU A 88 10.125 5.191 26.524 1.00 0.00 C ATOM 1393 CG LEU A 88 10.308 5.870 25.166 1.00 0.00 C ATOM 1394 CD1 LEU A 88 10.967 4.921 24.178 1.00 0.00 C ATOM 1395 CD2 LEU A 88 8.969 6.357 24.629 1.00 0.00 C ATOM 0 H LEU A 88 11.784 3.449 25.991 1.00 0.00 H new ATOM 0 HA LEU A 88 12.013 5.891 27.278 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.668 4.215 26.361 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.419 5.780 27.110 1.00 0.00 H new ATOM 0 HG LEU A 88 10.960 6.733 25.298 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.089 5.422 23.218 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.944 4.622 24.557 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.341 4.038 24.049 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.118 6.838 23.662 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.294 5.509 24.513 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.536 7.073 25.327 1.00 0.00 H new