USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 584 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 68 SER OG : rot 176:sc= 0.834 USER MOD Set 1.2: A 70 MET CE :methyl 157:sc= -0.0771 (180deg=-0.415) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -131:sc= 0.321 (180deg=0) USER MOD Set 2.2: A 666 TYR OH : rot 180:sc= 0.323 USER MOD Set 3.1: A 50 CYS SG : rot -169:sc= 1.06 USER MOD Set 3.2: A 53 CYS SG : rot 48:sc= 0.303 USER MOD Set 3.3: A 73 CYS SG : rot 167:sc= -3.03! USER MOD Set 3.4: A 75 ASN : amide:sc= 1.34 K(o=-0.33,f=-2.8) USER MOD Set 4.1: A 23 CYS SG : rot 98:sc= 0.441 USER MOD Set 4.2: A 26 CYS SG : rot 107:sc= 0.772 USER MOD Set 4.3: A 44 HIS : no HE2:sc= -5.1! C(o=-4.8!,f=-4.6!) USER MOD Set 4.4: A 47 CYS SG : rot 49:sc= -0.914! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -122:sc= -0.225 (180deg=-2.67!) USER MOD Single : A 41 SER OG : rot -53:sc= 1.1 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -106:sc= 0.839 USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 2.41 (180deg=0.326) USER MOD Single : A 51 SER OG : rot 180:sc= 0.148 USER MOD Single : A 52 SER OG : rot 176:sc= 0.00121 USER MOD Single : A 54 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.6!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 63 SER OG : rot 180:sc= 0.149 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 156:sc= 0.568 USER MOD Single : A 77 TYR OH : rot -121:sc= -0.537! USER MOD Single : A 664 SER OG : rot 180:sc= 0 USER MOD Single : A 665 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 667 LYS NZ :NH3+ 149:sc= -0.151 (180deg=-0.916) USER MOD Single : A 668 MET CE :methyl 161:sc= -0.657 (180deg=-1.26) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 173:sc= -0.43 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 14.290 -0.608 -5.349 1.00 0.00 N ATOM 327 CA LEU A 663 13.078 -1.330 -4.970 1.00 0.00 C ATOM 328 C LEU A 663 11.915 -1.086 -5.933 1.00 0.00 C ATOM 329 O LEU A 663 10.796 -1.523 -5.668 1.00 0.00 O ATOM 330 CB LEU A 663 12.655 -0.939 -3.552 1.00 0.00 C ATOM 331 CG LEU A 663 13.236 -1.794 -2.420 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.310 -1.777 -1.218 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.477 -3.223 -2.879 1.00 0.00 C ATOM 0 HA LEU A 663 13.320 -2.392 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 663 12.942 0.099 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.567 -0.983 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 663 14.196 -1.365 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 663 12.736 -2.388 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.191 -0.753 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.337 -2.178 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 663 13.889 -3.805 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.534 -3.666 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.181 -3.224 -3.711 1.00 0.00 H new ATOM 345 N SER A 664 12.168 -0.417 -7.054 1.00 0.00 N ATOM 346 CA SER A 664 11.106 -0.115 -8.010 1.00 0.00 C ATOM 347 C SER A 664 10.565 -1.386 -8.664 1.00 0.00 C ATOM 348 O SER A 664 9.440 -1.401 -9.164 1.00 0.00 O ATOM 349 CB SER A 664 11.608 0.851 -9.080 1.00 0.00 C ATOM 350 OG SER A 664 11.992 2.090 -8.507 1.00 0.00 O ATOM 0 H SER A 664 13.091 -0.076 -7.322 1.00 0.00 H new ATOM 0 HA SER A 664 10.291 0.356 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 664 12.456 0.410 -9.604 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.826 1.016 -9.821 1.00 0.00 H new ATOM 0 HG SER A 664 12.312 2.691 -9.212 1.00 0.00 H new ATOM 356 N GLN A 665 11.361 -2.448 -8.648 1.00 0.00 N ATOM 357 CA GLN A 665 10.944 -3.721 -9.229 1.00 0.00 C ATOM 358 C GLN A 665 9.941 -4.431 -8.321 1.00 0.00 C ATOM 359 O GLN A 665 9.155 -5.259 -8.777 1.00 0.00 O ATOM 360 CB GLN A 665 12.156 -4.625 -9.482 1.00 0.00 C ATOM 361 CG GLN A 665 13.252 -4.489 -8.438 1.00 0.00 C ATOM 362 CD GLN A 665 13.857 -5.821 -8.046 1.00 0.00 C ATOM 363 OE1 GLN A 665 13.168 -6.835 -7.985 1.00 0.00 O ATOM 364 NE2 GLN A 665 15.152 -5.824 -7.776 1.00 0.00 N ATOM 0 H GLN A 665 12.296 -2.455 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 665 10.460 -3.511 -10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 665 11.823 -5.663 -9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 665 12.571 -4.394 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 665 14.037 -3.838 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 665 12.844 -4.005 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 665 15.688 -4.959 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 665 15.614 -6.692 -7.505 1.00 0.00 H new ATOM 373 N TYR A 666 9.965 -4.093 -7.039 1.00 0.00 N ATOM 374 CA TYR A 666 9.076 -4.715 -6.065 1.00 0.00 C ATOM 375 C TYR A 666 7.897 -3.805 -5.754 1.00 0.00 C ATOM 376 O TYR A 666 7.131 -4.056 -4.822 1.00 0.00 O ATOM 377 CB TYR A 666 9.833 -5.031 -4.777 1.00 0.00 C ATOM 378 CG TYR A 666 10.772 -6.206 -4.897 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.299 -7.461 -5.257 1.00 0.00 C ATOM 380 CD2 TYR A 666 12.128 -6.065 -4.637 1.00 0.00 C ATOM 381 CE1 TYR A 666 11.152 -8.541 -5.361 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.987 -7.141 -4.735 1.00 0.00 C ATOM 383 CZ TYR A 666 12.496 -8.377 -5.095 1.00 0.00 C ATOM 384 OH TYR A 666 13.351 -9.451 -5.187 1.00 0.00 O ATOM 0 H TYR A 666 10.592 -3.390 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 666 8.701 -5.643 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 666 10.402 -4.152 -4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 666 9.113 -5.232 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 666 9.246 -7.594 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.517 -5.098 -4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.770 -9.509 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 666 14.040 -7.015 -4.530 1.00 0.00 H new ATOM 0 HH TYR A 666 14.262 -9.163 -4.969 1.00 0.00 H new ATOM 394 N LYS A 667 7.761 -2.746 -6.536 1.00 0.00 N ATOM 395 CA LYS A 667 6.720 -1.761 -6.312 1.00 0.00 C ATOM 396 C LYS A 667 5.357 -2.299 -6.696 1.00 0.00 C ATOM 397 O LYS A 667 5.185 -2.922 -7.746 1.00 0.00 O ATOM 398 CB LYS A 667 6.985 -0.510 -7.131 1.00 0.00 C ATOM 399 CG LYS A 667 8.052 0.402 -6.552 1.00 0.00 C ATOM 400 CD LYS A 667 7.738 1.869 -6.813 1.00 0.00 C ATOM 401 CE LYS A 667 7.457 2.138 -8.286 1.00 0.00 C ATOM 402 NZ LYS A 667 6.003 2.299 -8.554 1.00 0.00 N ATOM 0 H LYS A 667 8.363 -2.548 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 667 6.729 -1.525 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 667 7.283 -0.805 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.056 0.052 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 667 8.133 0.232 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 667 9.020 0.153 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 667 6.874 2.166 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 667 8.577 2.483 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 667 7.985 3.039 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 667 7.848 1.316 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 5.867 2.956 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 5.590 1.375 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 5.534 2.678 -7.707 1.00 0.00 H new ATOM 416 N MET A 668 4.390 -2.041 -5.848 1.00 0.00 N ATOM 417 CA MET A 668 3.018 -2.360 -6.155 1.00 0.00 C ATOM 418 C MET A 668 2.205 -1.083 -6.194 1.00 0.00 C ATOM 419 O MET A 668 2.159 -0.330 -5.221 1.00 0.00 O ATOM 420 CB MET A 668 2.454 -3.350 -5.138 1.00 0.00 C ATOM 421 CG MET A 668 0.936 -3.406 -5.112 1.00 0.00 C ATOM 422 SD MET A 668 0.302 -4.525 -3.849 1.00 0.00 S ATOM 423 CE MET A 668 1.104 -3.885 -2.380 1.00 0.00 C ATOM 0 H MET A 668 4.530 -1.608 -4.935 1.00 0.00 H new ATOM 0 HA MET A 668 2.966 -2.837 -7.133 1.00 0.00 H new ATOM 0 HB2 MET A 668 2.841 -4.344 -5.360 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.815 -3.082 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 668 0.543 -2.405 -4.935 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.572 -3.724 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.573 -4.234 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.135 -4.236 -2.346 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.092 -2.795 -2.404 1.00 0.00 H new ATOM 433 N ASP A 669 1.614 -0.822 -7.342 1.00 0.00 N ATOM 434 CA ASP A 669 0.834 0.381 -7.548 1.00 0.00 C ATOM 435 C ASP A 669 -0.634 0.110 -7.266 1.00 0.00 C ATOM 436 O ASP A 669 -1.224 -0.825 -7.812 1.00 0.00 O ATOM 437 CB ASP A 669 1.029 0.909 -8.976 1.00 0.00 C ATOM 438 CG ASP A 669 1.104 -0.195 -10.015 1.00 0.00 C ATOM 439 OD1 ASP A 669 2.166 -0.855 -10.108 1.00 0.00 O ATOM 440 OD2 ASP A 669 0.115 -0.404 -10.749 1.00 0.00 O ATOM 0 H ASP A 669 1.660 -1.435 -8.156 1.00 0.00 H new ATOM 0 HA ASP A 669 1.180 1.147 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.206 1.578 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 669 1.944 1.500 -9.016 1.00 0.00 H new ATOM 445 N VAL A 670 -1.215 0.922 -6.401 1.00 0.00 N ATOM 446 CA VAL A 670 -2.588 0.721 -5.973 1.00 0.00 C ATOM 447 C VAL A 670 -3.558 1.346 -6.966 1.00 0.00 C ATOM 448 O VAL A 670 -3.539 2.555 -7.195 1.00 0.00 O ATOM 449 CB VAL A 670 -2.844 1.314 -4.572 1.00 0.00 C ATOM 450 CG1 VAL A 670 -4.120 0.737 -3.977 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.659 1.058 -3.649 1.00 0.00 C ATOM 0 H VAL A 670 -0.756 1.729 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.752 -0.356 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.966 2.392 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -4.287 1.165 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.964 0.977 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.025 -0.345 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.863 1.485 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.499 -0.016 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.765 1.521 -4.067 1.00 0.00 H new ATOM 461 N THR A 671 -4.392 0.514 -7.562 1.00 0.00 N ATOM 462 CA THR A 671 -5.392 0.987 -8.504 1.00 0.00 C ATOM 463 C THR A 671 -6.709 1.235 -7.775 1.00 0.00 C ATOM 464 O THR A 671 -7.073 0.485 -6.872 1.00 0.00 O ATOM 465 CB THR A 671 -5.584 -0.023 -9.656 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.358 -0.744 -9.856 1.00 0.00 O ATOM 467 CG2 THR A 671 -5.977 0.686 -10.943 1.00 0.00 C ATOM 0 H THR A 671 -4.397 -0.495 -7.411 1.00 0.00 H new ATOM 0 HA THR A 671 -5.048 1.925 -8.940 1.00 0.00 H new ATOM 0 HB THR A 671 -6.386 -0.712 -9.389 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.473 -1.389 -10.585 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.106 -0.048 -11.738 1.00 0.00 H new ATOM 0 HG22 THR A 671 -6.913 1.224 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.194 1.391 -11.224 1.00 0.00 H new ATOM 475 N VAL A 672 -7.404 2.300 -8.134 1.00 0.00 N ATOM 476 CA VAL A 672 -8.628 2.669 -7.438 1.00 0.00 C ATOM 477 C VAL A 672 -9.856 2.230 -8.225 1.00 0.00 C ATOM 478 O VAL A 672 -10.050 2.643 -9.368 1.00 0.00 O ATOM 479 CB VAL A 672 -8.702 4.189 -7.183 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.718 4.497 -6.091 1.00 0.00 C ATOM 481 CG2 VAL A 672 -7.332 4.743 -6.813 1.00 0.00 C ATOM 0 H VAL A 672 -7.145 2.923 -8.899 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.613 2.155 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 672 -9.027 4.675 -8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.757 5.573 -5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.701 4.141 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -9.423 3.997 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -7.409 5.816 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.973 4.252 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.632 4.557 -7.628 1.00 0.00 H new ATOM 491 N ILE A 673 -10.672 1.383 -7.614 1.00 0.00 N ATOM 492 CA ILE A 673 -11.916 0.954 -8.231 1.00 0.00 C ATOM 493 C ILE A 673 -13.002 1.981 -7.935 1.00 0.00 C ATOM 494 O ILE A 673 -13.223 2.347 -6.779 1.00 0.00 O ATOM 495 CB ILE A 673 -12.360 -0.450 -7.731 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.701 -1.576 -8.552 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.879 -0.591 -7.780 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.816 -1.098 -9.688 1.00 0.00 C ATOM 0 H ILE A 673 -10.494 0.981 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.753 0.878 -9.306 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.031 -0.543 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -11.105 -2.195 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -12.484 -2.213 -8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.164 -1.581 -7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.336 0.167 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.224 -0.460 -8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.396 -1.958 -10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -11.408 -0.505 -10.385 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -10.008 -0.487 -9.287 1.00 0.00 H new ATOM 510 N ASP A 674 -13.657 2.448 -8.984 1.00 0.00 N ATOM 511 CA ASP A 674 -14.651 3.503 -8.860 1.00 0.00 C ATOM 512 C ASP A 674 -15.992 2.965 -8.365 1.00 0.00 C ATOM 513 O ASP A 674 -16.680 2.220 -9.069 1.00 0.00 O ATOM 514 CB ASP A 674 -14.839 4.211 -10.205 1.00 0.00 C ATOM 515 CG ASP A 674 -15.999 5.190 -10.197 1.00 0.00 C ATOM 516 OD1 ASP A 674 -15.849 6.293 -9.631 1.00 0.00 O ATOM 517 OD2 ASP A 674 -17.057 4.869 -10.777 1.00 0.00 O ATOM 0 H ASP A 674 -13.518 2.112 -9.937 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.284 4.215 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.923 4.742 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -15.004 3.466 -10.983 1.00 0.00 H new ATOM 522 N THR A 675 -16.342 3.327 -7.140 1.00 0.00 N ATOM 523 CA THR A 675 -17.674 3.080 -6.610 1.00 0.00 C ATOM 524 C THR A 675 -18.455 4.390 -6.581 1.00 0.00 C ATOM 525 O THR A 675 -18.725 4.949 -5.514 1.00 0.00 O ATOM 526 CB THR A 675 -17.614 2.477 -5.195 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.254 2.181 -4.844 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.452 1.209 -5.113 1.00 0.00 C ATOM 0 H THR A 675 -15.714 3.798 -6.488 1.00 0.00 H new ATOM 0 HA THR A 675 -18.174 2.361 -7.258 1.00 0.00 H new ATOM 0 HB THR A 675 -18.018 3.208 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.211 1.910 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.395 0.800 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.490 1.443 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 675 -18.072 0.475 -5.824 1.00 0.00 H new ATOM 806 N TRP A 20 -22.546 -8.087 -2.308 1.00 0.00 N ATOM 807 CA TRP A 20 -21.422 -7.319 -2.824 1.00 0.00 C ATOM 808 C TRP A 20 -20.165 -8.186 -2.894 1.00 0.00 C ATOM 809 O TRP A 20 -20.194 -9.261 -3.493 1.00 0.00 O ATOM 810 CB TRP A 20 -21.186 -6.047 -1.989 1.00 0.00 C ATOM 811 CG TRP A 20 -22.019 -5.958 -0.739 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.376 -5.826 -0.654 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.535 -5.961 0.607 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.764 -5.790 0.663 1.00 0.00 N ATOM 815 CE2 TRP A 20 -22.652 -5.853 1.457 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.266 -6.049 1.175 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -22.534 -5.834 2.843 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -20.149 -6.027 2.551 1.00 0.00 C ATOM 819 CH2 TRP A 20 -21.278 -5.919 3.372 1.00 0.00 C ATOM 0 HA TRP A 20 -21.664 -6.999 -3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -20.133 -5.999 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -21.392 -5.176 -2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -24.046 -5.760 -1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.726 -5.727 0.995 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.389 -6.133 0.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -23.404 -5.755 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -19.170 -6.094 3.001 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -21.153 -5.903 4.445 1.00 0.00 H new ATOM 830 N LYS A 21 -19.071 -7.746 -2.277 1.00 0.00 N ATOM 831 CA LYS A 21 -17.799 -8.448 -2.407 1.00 0.00 C ATOM 832 C LYS A 21 -17.261 -8.897 -1.057 1.00 0.00 C ATOM 833 O LYS A 21 -17.360 -8.180 -0.061 1.00 0.00 O ATOM 834 CB LYS A 21 -16.758 -7.558 -3.095 1.00 0.00 C ATOM 835 CG LYS A 21 -17.304 -6.761 -4.267 1.00 0.00 C ATOM 836 CD LYS A 21 -17.031 -7.453 -5.590 1.00 0.00 C ATOM 837 CE LYS A 21 -17.395 -6.559 -6.764 1.00 0.00 C ATOM 838 NZ LYS A 21 -18.054 -7.313 -7.860 1.00 0.00 N ATOM 0 H LYS A 21 -19.040 -6.914 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.985 -9.333 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.344 -6.867 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.936 -8.182 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.378 -6.621 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.852 -5.769 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.977 -7.725 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.603 -8.379 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.058 -5.765 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.494 -6.079 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.284 -6.663 -8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.412 -8.055 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.928 -7.750 -7.504 1.00 0.00 H new ATOM 852 N ARG A 22 -16.693 -10.092 -1.040 1.00 0.00 N ATOM 853 CA ARG A 22 -15.999 -10.601 0.129 1.00 0.00 C ATOM 854 C ARG A 22 -14.535 -10.187 0.046 1.00 0.00 C ATOM 855 O ARG A 22 -13.934 -10.242 -1.028 1.00 0.00 O ATOM 856 CB ARG A 22 -16.144 -12.124 0.198 1.00 0.00 C ATOM 857 CG ARG A 22 -15.181 -12.802 1.158 1.00 0.00 C ATOM 858 CD ARG A 22 -14.054 -13.481 0.402 1.00 0.00 C ATOM 859 NE ARG A 22 -12.843 -13.599 1.212 1.00 0.00 N ATOM 860 CZ ARG A 22 -12.432 -14.725 1.797 1.00 0.00 C ATOM 861 NH1 ARG A 22 -13.155 -15.833 1.703 1.00 0.00 N ATOM 862 NH2 ARG A 22 -11.291 -14.739 2.482 1.00 0.00 N ATOM 0 H ARG A 22 -16.700 -10.733 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.432 -10.185 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.165 -12.367 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.995 -12.537 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.770 -12.065 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.717 -13.537 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.376 -14.473 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.831 -12.914 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.273 -12.763 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.031 -15.827 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.835 -16.691 2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.732 -13.889 2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.976 -15.599 2.930 1.00 0.00 H new ATOM 876 N CYS A 23 -13.968 -9.775 1.169 1.00 0.00 N ATOM 877 CA CYS A 23 -12.642 -9.187 1.177 1.00 0.00 C ATOM 878 C CYS A 23 -11.545 -10.232 1.408 1.00 0.00 C ATOM 879 O CYS A 23 -11.785 -11.287 1.999 1.00 0.00 O ATOM 880 CB CYS A 23 -12.596 -8.065 2.206 1.00 0.00 C ATOM 881 SG CYS A 23 -12.381 -8.575 3.938 1.00 0.00 S ATOM 0 H CYS A 23 -14.408 -9.838 2.087 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.440 -8.766 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.780 -7.392 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.520 -7.491 2.130 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.130 -8.458 4.273 1.00 0.00 H new ATOM 886 N ALA A 24 -10.344 -9.921 0.931 1.00 0.00 N ATOM 887 CA ALA A 24 -9.254 -10.890 0.864 1.00 0.00 C ATOM 888 C ALA A 24 -8.598 -11.155 2.222 1.00 0.00 C ATOM 889 O ALA A 24 -8.528 -12.303 2.660 1.00 0.00 O ATOM 890 CB ALA A 24 -8.207 -10.420 -0.136 1.00 0.00 C ATOM 0 H ALA A 24 -10.099 -8.995 0.581 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.691 -11.834 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.396 -11.147 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.663 -10.322 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.811 -9.454 0.178 1.00 0.00 H new ATOM 896 N GLY A 25 -8.122 -10.101 2.874 1.00 0.00 N ATOM 897 CA GLY A 25 -7.329 -10.253 4.084 1.00 0.00 C ATOM 898 C GLY A 25 -8.125 -10.767 5.267 1.00 0.00 C ATOM 899 O GLY A 25 -7.925 -11.908 5.700 1.00 0.00 O ATOM 0 H GLY A 25 -8.272 -9.134 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.505 -10.938 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.888 -9.291 4.343 1.00 0.00 H new ATOM 903 N CYS A 26 -9.003 -9.919 5.812 1.00 0.00 N ATOM 904 CA CYS A 26 -9.856 -10.313 6.930 1.00 0.00 C ATOM 905 C CYS A 26 -10.635 -11.580 6.594 1.00 0.00 C ATOM 906 O CYS A 26 -10.755 -12.485 7.420 1.00 0.00 O ATOM 907 CB CYS A 26 -10.831 -9.191 7.301 1.00 0.00 C ATOM 908 SG CYS A 26 -10.261 -7.515 6.873 1.00 0.00 S ATOM 0 H CYS A 26 -9.139 -8.959 5.496 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.209 -10.510 7.785 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.782 -9.375 6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.021 -9.233 8.374 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.940 -7.072 5.857 1.00 0.00 H new ATOM 913 N GLY A 27 -11.156 -11.633 5.378 1.00 0.00 N ATOM 914 CA GLY A 27 -11.906 -12.787 4.946 1.00 0.00 C ATOM 915 C GLY A 27 -13.363 -12.682 5.322 1.00 0.00 C ATOM 916 O GLY A 27 -13.978 -13.661 5.747 1.00 0.00 O ATOM 0 H GLY A 27 -11.071 -10.892 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.817 -12.895 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.479 -13.685 5.392 1.00 0.00 H new ATOM 920 N GLY A 28 -13.912 -11.487 5.183 1.00 0.00 N ATOM 921 CA GLY A 28 -15.308 -11.279 5.486 1.00 0.00 C ATOM 922 C GLY A 28 -16.046 -10.655 4.328 1.00 0.00 C ATOM 923 O GLY A 28 -16.742 -11.341 3.580 1.00 0.00 O ATOM 0 H GLY A 28 -13.413 -10.656 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.771 -12.233 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.398 -10.637 6.362 1.00 0.00 H new ATOM 927 N LYS A 29 -15.874 -9.354 4.171 1.00 0.00 N ATOM 928 CA LYS A 29 -16.525 -8.603 3.110 1.00 0.00 C ATOM 929 C LYS A 29 -16.055 -7.158 3.145 1.00 0.00 C ATOM 930 O LYS A 29 -15.826 -6.601 4.219 1.00 0.00 O ATOM 931 CB LYS A 29 -18.054 -8.659 3.242 1.00 0.00 C ATOM 932 CG LYS A 29 -18.564 -8.431 4.656 1.00 0.00 C ATOM 933 CD LYS A 29 -19.600 -9.470 5.050 1.00 0.00 C ATOM 934 CE LYS A 29 -20.976 -8.847 5.218 1.00 0.00 C ATOM 935 NZ LYS A 29 -21.271 -8.506 6.636 1.00 0.00 N ATOM 0 H LYS A 29 -15.279 -8.788 4.775 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.254 -9.055 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.492 -7.909 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.403 -9.631 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.728 -8.466 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.000 -7.435 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -19.643 -10.250 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.300 -9.950 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.041 -7.946 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.733 -9.538 4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.219 -8.084 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.235 -9.369 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.565 -7.826 6.984 1.00 0.00 H new ATOM 949 N ILE A 30 -15.898 -6.558 1.977 1.00 0.00 N ATOM 950 CA ILE A 30 -15.478 -5.168 1.895 1.00 0.00 C ATOM 951 C ILE A 30 -16.618 -4.240 2.310 1.00 0.00 C ATOM 952 O ILE A 30 -17.611 -4.096 1.599 1.00 0.00 O ATOM 953 CB ILE A 30 -15.001 -4.803 0.470 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.772 -5.630 0.106 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.688 -3.316 0.364 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.682 -5.970 -1.365 1.00 0.00 C ATOM 0 H ILE A 30 -16.054 -7.009 1.075 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.640 -5.039 2.580 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.804 -5.029 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.876 -5.082 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.783 -6.554 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.355 -3.086 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.584 -2.738 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.901 -3.058 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.783 -6.559 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.559 -6.546 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.639 -5.051 -1.949 1.00 0.00 H new ATOM 968 N ALA A 31 -16.468 -3.622 3.473 1.00 0.00 N ATOM 969 CA ALA A 31 -17.469 -2.698 3.980 1.00 0.00 C ATOM 970 C ALA A 31 -16.887 -1.296 4.116 1.00 0.00 C ATOM 971 O ALA A 31 -17.218 -0.556 5.045 1.00 0.00 O ATOM 972 CB ALA A 31 -18.014 -3.186 5.314 1.00 0.00 C ATOM 0 H ALA A 31 -15.660 -3.745 4.084 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.292 -2.656 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.762 -2.483 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.471 -4.167 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.200 -3.258 6.035 1.00 0.00 H new ATOM 978 N ASP A 32 -16.002 -0.945 3.194 1.00 0.00 N ATOM 979 CA ASP A 32 -15.414 0.390 3.162 1.00 0.00 C ATOM 980 C ASP A 32 -16.251 1.320 2.282 1.00 0.00 C ATOM 981 O ASP A 32 -17.379 1.676 2.630 1.00 0.00 O ATOM 982 CB ASP A 32 -13.982 0.324 2.634 1.00 0.00 C ATOM 983 CG ASP A 32 -12.946 0.325 3.737 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.066 -0.488 4.682 1.00 0.00 O ATOM 985 OD2 ASP A 32 -11.984 1.113 3.649 1.00 0.00 O ATOM 0 H ASP A 32 -15.673 -1.567 2.455 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.400 0.786 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.863 -0.577 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.804 1.173 1.975 1.00 0.00 H new ATOM 990 N ARG A 33 -15.692 1.709 1.143 1.00 0.00 N ATOM 991 CA ARG A 33 -16.391 2.547 0.175 1.00 0.00 C ATOM 992 C ARG A 33 -15.793 2.335 -1.203 1.00 0.00 C ATOM 993 O ARG A 33 -16.433 1.775 -2.094 1.00 0.00 O ATOM 994 CB ARG A 33 -16.302 4.024 0.563 1.00 0.00 C ATOM 995 CG ARG A 33 -17.554 4.814 0.211 1.00 0.00 C ATOM 996 CD ARG A 33 -17.268 5.961 -0.748 1.00 0.00 C ATOM 997 NE ARG A 33 -15.992 6.626 -0.476 1.00 0.00 N ATOM 998 CZ ARG A 33 -15.808 7.553 0.471 1.00 0.00 C ATOM 999 NH1 ARG A 33 -16.795 7.897 1.294 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -14.624 8.130 0.600 1.00 0.00 N ATOM 0 H ARG A 33 -14.745 1.454 0.864 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.443 2.263 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.122 4.101 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.444 4.473 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.288 4.145 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.999 5.210 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.264 5.581 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.074 6.692 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.189 6.365 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.709 7.452 1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.638 8.606 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.858 7.867 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.477 8.837 1.320 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.558 2.775 -1.370 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.839 2.547 -2.605 1.00 0.00 C ATOM 1016 C PHE A 34 -12.963 1.320 -2.463 1.00 0.00 C ATOM 1017 O PHE A 34 -12.446 1.036 -1.382 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.011 3.776 -2.983 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.702 4.635 -4.000 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.003 5.060 -3.791 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.063 4.993 -5.174 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -15.653 5.827 -4.733 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -13.708 5.763 -6.121 1.00 0.00 C ATOM 1024 CZ PHE A 34 -15.006 6.179 -5.901 1.00 0.00 C ATOM 0 H PHE A 34 -14.034 3.292 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.554 2.374 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.810 4.366 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.046 3.455 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.514 4.787 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.049 4.667 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.668 6.153 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.198 6.039 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 34 -15.515 6.779 -6.641 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.819 0.581 -3.544 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.043 -0.641 -3.522 1.00 0.00 C ATOM 1036 C LEU A 35 -10.615 -0.354 -3.944 1.00 0.00 C ATOM 1037 O LEU A 35 -10.375 0.413 -4.882 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.669 -1.691 -4.441 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.974 -2.313 -3.930 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -15.173 -1.478 -4.350 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.120 -3.738 -4.442 1.00 0.00 C ATOM 0 H LEU A 35 -13.230 0.806 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.039 -1.035 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.859 -1.233 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.944 -2.489 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.935 -2.334 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.087 -1.940 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.079 -0.473 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.214 -1.422 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.051 -4.165 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.133 -3.733 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.280 -4.338 -4.091 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.674 -0.976 -3.260 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.270 -0.746 -3.523 1.00 0.00 C ATOM 1055 C LEU A 36 -7.666 -1.960 -4.211 1.00 0.00 C ATOM 1056 O LEU A 36 -7.739 -3.077 -3.707 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.528 -0.452 -2.215 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.968 0.824 -1.493 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.047 0.589 0.007 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.013 1.967 -1.803 1.00 0.00 C ATOM 0 H LEU A 36 -9.860 -1.647 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.170 0.118 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.663 -1.298 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.461 -0.381 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.961 1.096 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.361 1.507 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.769 -0.201 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.067 0.292 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.341 2.866 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.009 1.702 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.005 2.153 -2.877 1.00 0.00 H new ATOM 1072 N TYR A 37 -7.095 -1.730 -5.375 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.521 -2.793 -6.176 1.00 0.00 C ATOM 1074 C TYR A 37 -5.057 -2.983 -5.843 1.00 0.00 C ATOM 1075 O TYR A 37 -4.216 -2.144 -6.175 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.664 -2.455 -7.653 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.278 -3.547 -8.481 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.430 -4.826 -7.976 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.695 -3.293 -9.776 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.986 -5.828 -8.739 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.254 -4.283 -10.548 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.398 -5.554 -10.029 1.00 0.00 C ATOM 1083 OH TYR A 37 -8.951 -6.552 -10.797 1.00 0.00 O ATOM 0 H TYR A 37 -7.015 -0.803 -5.793 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.053 -3.718 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.272 -1.556 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.679 -2.219 -8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.108 -5.042 -6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.579 -2.301 -10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.099 -6.822 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.579 -4.068 -11.555 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.188 -6.194 -11.678 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.758 -4.085 -5.187 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.394 -4.406 -4.827 1.00 0.00 C ATOM 1095 C ALA A 38 -3.075 -5.840 -5.192 1.00 0.00 C ATOM 1096 O ALA A 38 -3.853 -6.747 -4.878 1.00 0.00 O ATOM 1097 CB ALA A 38 -3.172 -4.185 -3.347 1.00 0.00 C ATOM 0 H ALA A 38 -5.447 -4.777 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.728 -3.746 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.141 -4.431 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.367 -3.141 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.848 -4.823 -2.778 1.00 0.00 H new ATOM 1103 N MET A 39 -1.938 -6.029 -5.860 1.00 0.00 N ATOM 1104 CA MET A 39 -1.462 -7.346 -6.287 1.00 0.00 C ATOM 1105 C MET A 39 -2.362 -7.937 -7.373 1.00 0.00 C ATOM 1106 O MET A 39 -1.914 -8.168 -8.495 1.00 0.00 O ATOM 1107 CB MET A 39 -1.354 -8.317 -5.104 1.00 0.00 C ATOM 1108 CG MET A 39 -0.580 -7.765 -3.913 1.00 0.00 C ATOM 1109 SD MET A 39 0.168 -9.055 -2.901 1.00 0.00 S ATOM 1110 CE MET A 39 -0.765 -8.875 -1.383 1.00 0.00 C ATOM 0 H MET A 39 -1.315 -5.266 -6.123 1.00 0.00 H new ATOM 0 HA MET A 39 -0.465 -7.204 -6.704 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.358 -8.587 -4.777 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.872 -9.234 -5.443 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.201 -7.095 -4.273 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.252 -7.169 -3.295 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.082 -8.674 -0.558 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.467 -8.047 -1.483 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.315 -9.794 -1.183 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.631 -8.153 -7.038 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.594 -8.752 -7.955 1.00 0.00 C ATOM 1122 C ASP A 40 -6.008 -8.674 -7.377 1.00 0.00 C ATOM 1123 O ASP A 40 -6.994 -8.749 -8.111 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.228 -10.221 -8.244 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.242 -11.211 -7.689 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -5.223 -11.469 -6.464 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -6.064 -11.736 -8.475 1.00 0.00 O ATOM 0 H ASP A 40 -4.019 -7.918 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.564 -8.191 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.144 -10.363 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.249 -10.436 -7.817 1.00 0.00 H new ATOM 1132 N SER A 41 -6.107 -8.509 -6.062 1.00 0.00 N ATOM 1133 CA SER A 41 -7.388 -8.598 -5.389 1.00 0.00 C ATOM 1134 C SER A 41 -7.932 -7.216 -5.044 1.00 0.00 C ATOM 1135 O SER A 41 -7.231 -6.211 -5.176 1.00 0.00 O ATOM 1136 CB SER A 41 -7.232 -9.448 -4.127 1.00 0.00 C ATOM 1137 OG SER A 41 -6.019 -10.188 -4.172 1.00 0.00 O ATOM 0 H SER A 41 -5.317 -8.314 -5.448 1.00 0.00 H new ATOM 0 HA SER A 41 -8.107 -9.069 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.241 -8.806 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.077 -10.130 -4.034 1.00 0.00 H new ATOM 0 HG SER A 41 -5.972 -10.689 -5.013 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.187 -7.178 -4.618 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.824 -5.936 -4.207 1.00 0.00 C ATOM 1145 C TYR A 42 -9.807 -5.832 -2.689 1.00 0.00 C ATOM 1146 O TYR A 42 -10.385 -6.667 -1.994 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.267 -5.857 -4.729 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.800 -7.157 -5.291 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.544 -7.523 -6.605 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.558 -8.014 -4.507 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.027 -8.710 -7.122 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -13.042 -9.204 -5.015 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.775 -9.547 -6.322 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.246 -10.736 -6.831 1.00 0.00 O ATOM 0 H TYR A 42 -9.787 -8.000 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.267 -5.102 -4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.917 -5.533 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.319 -5.092 -5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.958 -6.869 -7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.773 -7.747 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.820 -8.980 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.627 -9.862 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.754 -11.210 -6.139 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.121 -4.823 -2.183 1.00 0.00 N ATOM 1165 CA TRP A 43 -8.962 -4.649 -0.748 1.00 0.00 C ATOM 1166 C TRP A 43 -9.674 -3.389 -0.270 1.00 0.00 C ATOM 1167 O TRP A 43 -10.173 -2.597 -1.070 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.473 -4.555 -0.374 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.593 -5.552 -1.072 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.227 -5.538 -2.385 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.954 -6.698 -0.495 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.420 -6.610 -2.664 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.232 -7.334 -1.524 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.920 -7.253 0.786 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.492 -8.491 -1.314 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.180 -8.405 0.995 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.475 -9.012 -0.054 1.00 0.00 C ATOM 0 H TRP A 43 -8.662 -4.107 -2.747 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.405 -5.518 -0.262 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.116 -3.551 -0.603 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.372 -4.691 0.703 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.530 -4.790 -3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.024 -6.831 -3.578 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.461 -6.792 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.949 -8.961 -2.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.145 -8.843 1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.907 -9.910 0.140 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.709 -3.225 1.040 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.230 -2.020 1.676 1.00 0.00 C ATOM 1190 C HIS A 44 -9.222 -1.559 2.729 1.00 0.00 C ATOM 1191 O HIS A 44 -8.145 -2.146 2.825 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.619 -2.272 2.301 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.655 -3.393 3.298 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.203 -3.304 4.570 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.151 -4.637 3.195 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -11.995 -4.491 5.185 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.362 -5.312 4.378 1.00 0.00 N ATOM 0 H HIS A 44 -9.375 -3.927 1.701 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.363 -1.238 0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.956 -1.357 2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.329 -2.488 1.503 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.676 -2.493 4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.659 -5.042 2.323 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.304 -4.729 6.192 1.00 0.00 H new ATOM 1205 N SER A 45 -9.562 -0.543 3.518 1.00 0.00 N ATOM 1206 CA SER A 45 -8.627 0.021 4.497 1.00 0.00 C ATOM 1207 C SER A 45 -8.055 -1.050 5.427 1.00 0.00 C ATOM 1208 O SER A 45 -6.847 -1.107 5.655 1.00 0.00 O ATOM 1209 CB SER A 45 -9.321 1.096 5.332 1.00 0.00 C ATOM 1210 OG SER A 45 -10.580 0.637 5.800 1.00 0.00 O ATOM 0 H SER A 45 -10.476 -0.091 3.501 1.00 0.00 H new ATOM 0 HA SER A 45 -7.801 0.460 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.691 1.368 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.457 1.996 4.733 1.00 0.00 H new ATOM 0 HG SER A 45 -11.296 1.073 5.292 1.00 0.00 H new ATOM 1216 N ARG A 46 -8.929 -1.906 5.940 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.543 -2.885 6.952 1.00 0.00 C ATOM 1218 C ARG A 46 -7.909 -4.127 6.331 1.00 0.00 C ATOM 1219 O ARG A 46 -7.410 -4.994 7.043 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.760 -3.275 7.791 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.442 -2.087 8.454 1.00 0.00 C ATOM 1222 CD ARG A 46 -11.928 -2.332 8.646 1.00 0.00 C ATOM 1223 NE ARG A 46 -12.734 -1.652 7.635 1.00 0.00 N ATOM 1224 CZ ARG A 46 -14.063 -1.596 7.661 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -14.732 -2.128 8.676 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -14.715 -0.987 6.681 1.00 0.00 N ATOM 0 H ARG A 46 -9.913 -1.943 5.672 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.793 -2.422 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.480 -3.790 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.450 -3.983 8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.977 -1.892 9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.295 -1.196 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.126 -3.403 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.226 -1.989 9.637 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.249 -1.193 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.227 -2.581 9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.751 -2.084 8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.198 -0.563 5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.734 -0.942 6.697 1.00 0.00 H new ATOM 1240 N CYS A 47 -7.928 -4.208 5.009 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.303 -5.318 4.310 1.00 0.00 C ATOM 1242 C CYS A 47 -5.940 -4.905 3.783 1.00 0.00 C ATOM 1243 O CYS A 47 -4.939 -5.599 3.991 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.178 -5.780 3.153 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.901 -7.433 3.387 1.00 0.00 S ATOM 0 H CYS A 47 -8.369 -3.519 4.400 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.182 -6.142 5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.983 -5.059 3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.584 -5.780 2.239 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.448 -7.505 4.564 1.00 0.00 H new ATOM 1250 N LEU A 48 -5.909 -3.765 3.113 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.683 -3.243 2.545 1.00 0.00 C ATOM 1252 C LEU A 48 -3.829 -2.601 3.630 1.00 0.00 C ATOM 1253 O LEU A 48 -3.675 -1.385 3.685 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.992 -2.234 1.436 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.607 -2.679 0.024 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.275 -1.473 -0.833 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.437 -3.652 0.058 1.00 0.00 C ATOM 0 H LEU A 48 -6.729 -3.181 2.950 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.123 -4.070 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.060 -2.016 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.473 -1.302 1.660 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.459 -3.197 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.003 -1.803 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.144 -0.817 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.440 -0.931 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.184 -3.952 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.575 -3.169 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.713 -4.532 0.638 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.306 -3.442 4.501 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.416 -3.024 5.568 1.00 0.00 C ATOM 1271 C LYS A 49 -1.358 -4.091 5.768 1.00 0.00 C ATOM 1272 O LYS A 49 -1.579 -5.249 5.402 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.191 -2.816 6.877 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.317 -3.816 7.092 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.853 -5.017 7.904 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.430 -6.318 7.363 1.00 0.00 C ATOM 1277 NZ LYS A 49 -3.708 -6.786 6.149 1.00 0.00 N ATOM 0 H LYS A 49 -3.489 -4.445 4.488 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.951 -2.077 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.496 -2.881 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.607 -1.808 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.145 -3.327 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.694 -4.153 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.764 -5.068 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.152 -4.891 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.378 -7.086 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.484 -6.176 7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.611 -7.821 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.244 -6.514 5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.764 -6.351 6.117 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.226 -3.726 6.340 1.00 0.00 N ATOM 1292 CA CYS A 50 0.809 -4.700 6.613 1.00 0.00 C ATOM 1293 C CYS A 50 0.383 -5.600 7.772 1.00 0.00 C ATOM 1294 O CYS A 50 -0.319 -5.165 8.680 1.00 0.00 O ATOM 1295 CB CYS A 50 2.137 -4.000 6.894 1.00 0.00 C ATOM 1296 SG CYS A 50 2.198 -3.021 8.420 1.00 0.00 S ATOM 0 H CYS A 50 -0.003 -2.771 6.622 1.00 0.00 H new ATOM 0 HA CYS A 50 0.954 -5.331 5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.923 -4.754 6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.367 -3.345 6.054 1.00 0.00 H new ATOM 0 HG CYS A 50 3.274 -2.292 8.425 1.00 0.00 H new ATOM 1301 N SER A 51 0.777 -6.860 7.727 1.00 0.00 N ATOM 1302 CA SER A 51 0.354 -7.819 8.737 1.00 0.00 C ATOM 1303 C SER A 51 1.164 -7.685 10.027 1.00 0.00 C ATOM 1304 O SER A 51 0.817 -8.283 11.048 1.00 0.00 O ATOM 1305 CB SER A 51 0.485 -9.236 8.176 1.00 0.00 C ATOM 1306 OG SER A 51 1.281 -9.237 7.003 1.00 0.00 O ATOM 0 H SER A 51 1.387 -7.244 7.005 1.00 0.00 H new ATOM 0 HA SER A 51 -0.687 -7.612 8.986 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.931 -9.890 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.503 -9.637 7.951 1.00 0.00 H new ATOM 0 HG SER A 51 1.355 -10.152 6.659 1.00 0.00 H new ATOM 1312 N SER A 52 2.230 -6.892 9.987 1.00 0.00 N ATOM 1313 CA SER A 52 3.134 -6.784 11.125 1.00 0.00 C ATOM 1314 C SER A 52 2.809 -5.578 12.015 1.00 0.00 C ATOM 1315 O SER A 52 2.742 -5.714 13.237 1.00 0.00 O ATOM 1316 CB SER A 52 4.575 -6.719 10.632 1.00 0.00 C ATOM 1317 OG SER A 52 4.716 -7.379 9.385 1.00 0.00 O ATOM 0 H SER A 52 2.487 -6.318 9.184 1.00 0.00 H new ATOM 0 HA SER A 52 3.001 -7.673 11.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.883 -5.678 10.533 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.236 -7.178 11.367 1.00 0.00 H new ATOM 0 HG SER A 52 5.633 -7.268 9.058 1.00 0.00 H new ATOM 1323 N CYS A 53 2.610 -4.403 11.419 1.00 0.00 N ATOM 1324 CA CYS A 53 2.259 -3.222 12.203 1.00 0.00 C ATOM 1325 C CYS A 53 0.817 -2.811 11.937 1.00 0.00 C ATOM 1326 O CYS A 53 0.279 -1.935 12.616 1.00 0.00 O ATOM 1327 CB CYS A 53 3.192 -2.043 11.897 1.00 0.00 C ATOM 1328 SG CYS A 53 4.788 -2.493 11.136 1.00 0.00 S ATOM 0 H CYS A 53 2.684 -4.245 10.414 1.00 0.00 H new ATOM 0 HA CYS A 53 2.373 -3.487 13.254 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.673 -1.352 11.233 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.389 -1.506 12.825 1.00 0.00 H new ATOM 0 HG CYS A 53 4.582 -3.313 10.148 1.00 0.00 H new ATOM 1333 N GLN A 54 0.210 -3.444 10.935 1.00 0.00 N ATOM 1334 CA GLN A 54 -1.147 -3.121 10.511 1.00 0.00 C ATOM 1335 C GLN A 54 -1.184 -1.708 9.959 1.00 0.00 C ATOM 1336 O GLN A 54 -2.122 -0.948 10.205 1.00 0.00 O ATOM 1337 CB GLN A 54 -2.154 -3.293 11.655 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.866 -4.635 11.633 1.00 0.00 C ATOM 1339 CD GLN A 54 -4.371 -4.501 11.506 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.956 -3.486 11.889 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -5.014 -5.527 10.970 1.00 0.00 N ATOM 0 H GLN A 54 0.645 -4.193 10.397 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.439 -3.818 9.726 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.635 -3.181 12.607 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.895 -2.496 11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.487 -5.228 10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.630 -5.181 12.547 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.496 -6.351 10.665 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.028 -5.494 10.863 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.148 -1.358 9.207 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.079 -0.047 8.595 1.00 0.00 C ATOM 1352 C ALA A 55 -0.986 -0.019 7.383 1.00 0.00 C ATOM 1353 O ALA A 55 -0.686 -0.645 6.367 1.00 0.00 O ATOM 1354 CB ALA A 55 1.354 0.299 8.206 1.00 0.00 C ATOM 0 H ALA A 55 0.649 -1.963 9.010 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.412 0.702 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.378 1.288 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.984 0.295 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.726 -0.439 7.495 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.117 0.665 7.514 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.102 0.738 6.446 1.00 0.00 C ATOM 1362 C GLN A 56 -2.513 1.410 5.208 1.00 0.00 C ATOM 1363 O GLN A 56 -2.587 2.628 5.047 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.347 1.493 6.923 1.00 0.00 C ATOM 1365 CG GLN A 56 -4.729 1.193 8.368 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.884 0.217 8.486 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.689 -0.995 8.565 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.097 0.741 8.515 1.00 0.00 N ATOM 0 H GLN A 56 -2.374 1.180 8.356 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.390 -0.278 6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.175 2.564 6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.186 1.239 6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.863 0.787 8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.995 2.124 8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.218 1.752 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.912 0.135 8.606 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.935 0.595 4.336 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.322 1.068 3.106 1.00 0.00 C ATOM 1379 C LEU A 57 -2.386 1.585 2.144 1.00 0.00 C ATOM 1380 O LEU A 57 -2.087 2.311 1.203 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.512 -0.060 2.459 1.00 0.00 C ATOM 1382 CG LEU A 57 0.542 -0.699 3.370 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.680 -2.188 3.085 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.879 -0.001 3.198 1.00 0.00 C ATOM 0 H LEU A 57 -1.879 -0.415 4.464 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.648 1.892 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.200 -0.836 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.015 0.331 1.571 1.00 0.00 H new ATOM 0 HG LEU A 57 0.214 -0.582 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.434 -2.616 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.276 -2.682 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.981 -2.334 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.618 -0.465 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.204 -0.089 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.776 1.052 3.458 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.637 1.220 2.404 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.744 1.731 1.619 1.00 0.00 C ATOM 1398 C GLY A 58 -4.995 3.209 1.872 1.00 0.00 C ATOM 1399 O GLY A 58 -5.754 3.853 1.147 1.00 0.00 O ATOM 0 H GLY A 58 -3.904 0.576 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.538 1.575 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.646 1.166 1.855 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.358 3.747 2.910 1.00 0.00 N ATOM 1404 CA ASP A 59 -4.448 5.172 3.220 1.00 0.00 C ATOM 1405 C ASP A 59 -3.215 5.890 2.688 1.00 0.00 C ATOM 1406 O ASP A 59 -3.127 7.120 2.665 1.00 0.00 O ATOM 1407 CB ASP A 59 -4.601 5.366 4.740 1.00 0.00 C ATOM 1408 CG ASP A 59 -4.246 6.764 5.216 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -5.112 7.662 5.145 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -3.104 6.968 5.680 1.00 0.00 O ATOM 0 H ASP A 59 -3.772 3.215 3.553 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.325 5.601 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.630 5.146 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.967 4.644 5.255 1.00 0.00 H new ATOM 1415 N ILE A 60 -2.290 5.096 2.201 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.014 5.595 1.724 1.00 0.00 C ATOM 1417 C ILE A 60 -0.959 5.559 0.201 1.00 0.00 C ATOM 1418 O ILE A 60 -0.889 4.491 -0.399 1.00 0.00 O ATOM 1419 CB ILE A 60 0.165 4.777 2.299 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -0.013 4.573 3.805 1.00 0.00 C ATOM 1421 CG2 ILE A 60 1.485 5.475 2.010 1.00 0.00 C ATOM 1422 CD1 ILE A 60 0.973 3.597 4.408 1.00 0.00 C ATOM 0 H ILE A 60 -2.398 4.085 2.123 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.921 6.626 2.067 1.00 0.00 H new ATOM 0 HB ILE A 60 0.178 3.800 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.088 5.535 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.026 4.218 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.305 4.887 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.615 5.576 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.482 6.464 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.785 3.504 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.857 2.623 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.988 3.960 4.248 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.997 6.734 -0.420 1.00 0.00 N ATOM 1435 CA GLY A 61 -0.952 6.809 -1.869 1.00 0.00 C ATOM 1436 C GLY A 61 0.447 6.606 -2.413 1.00 0.00 C ATOM 1437 O GLY A 61 0.650 6.569 -3.629 1.00 0.00 O ATOM 0 H GLY A 61 -1.058 7.635 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.616 6.054 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.327 7.780 -2.192 1.00 0.00 H new ATOM 1441 N THR A 62 1.411 6.485 -1.512 1.00 0.00 N ATOM 1442 CA THR A 62 2.794 6.277 -1.893 1.00 0.00 C ATOM 1443 C THR A 62 3.041 4.823 -2.303 1.00 0.00 C ATOM 1444 O THR A 62 2.295 3.920 -1.916 1.00 0.00 O ATOM 1445 CB THR A 62 3.737 6.666 -0.741 1.00 0.00 C ATOM 1446 OG1 THR A 62 3.067 7.584 0.135 1.00 0.00 O ATOM 1447 CG2 THR A 62 5.014 7.309 -1.269 1.00 0.00 C ATOM 0 H THR A 62 1.255 6.528 -0.505 1.00 0.00 H new ATOM 0 HA THR A 62 3.002 6.916 -2.751 1.00 0.00 H new ATOM 0 HB THR A 62 4.008 5.760 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.666 7.831 0.870 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.661 7.573 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.533 6.606 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.763 8.208 -1.832 1.00 0.00 H new ATOM 1455 N SER A 63 4.085 4.619 -3.089 1.00 0.00 N ATOM 1456 CA SER A 63 4.422 3.311 -3.627 1.00 0.00 C ATOM 1457 C SER A 63 4.689 2.278 -2.529 1.00 0.00 C ATOM 1458 O SER A 63 5.622 2.425 -1.732 1.00 0.00 O ATOM 1459 CB SER A 63 5.646 3.467 -4.519 1.00 0.00 C ATOM 1460 OG SER A 63 5.916 4.844 -4.750 1.00 0.00 O ATOM 0 H SER A 63 4.726 5.360 -3.373 1.00 0.00 H new ATOM 0 HA SER A 63 3.572 2.938 -4.198 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.509 2.994 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.480 2.958 -5.468 1.00 0.00 H new ATOM 0 HG SER A 63 6.706 4.931 -5.323 1.00 0.00 H new ATOM 1466 N SER A 64 3.858 1.244 -2.490 1.00 0.00 N ATOM 1467 CA SER A 64 4.035 0.141 -1.561 1.00 0.00 C ATOM 1468 C SER A 64 4.850 -0.967 -2.225 1.00 0.00 C ATOM 1469 O SER A 64 5.138 -0.897 -3.421 1.00 0.00 O ATOM 1470 CB SER A 64 2.666 -0.387 -1.122 1.00 0.00 C ATOM 1471 OG SER A 64 1.622 0.279 -1.814 1.00 0.00 O ATOM 0 H SER A 64 3.046 1.149 -3.100 1.00 0.00 H new ATOM 0 HA SER A 64 4.574 0.489 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.607 -1.459 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.544 -0.246 -0.048 1.00 0.00 H new ATOM 0 HG SER A 64 0.757 -0.075 -1.520 1.00 0.00 H new ATOM 1477 N TYR A 65 5.221 -1.985 -1.460 1.00 0.00 N ATOM 1478 CA TYR A 65 6.057 -3.055 -1.986 1.00 0.00 C ATOM 1479 C TYR A 65 5.414 -4.411 -1.742 1.00 0.00 C ATOM 1480 O TYR A 65 4.566 -4.554 -0.860 1.00 0.00 O ATOM 1481 CB TYR A 65 7.448 -3.011 -1.348 1.00 0.00 C ATOM 1482 CG TYR A 65 8.123 -1.664 -1.465 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.581 -1.198 -2.692 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.292 -0.851 -0.350 1.00 0.00 C ATOM 1485 CE1 TYR A 65 9.189 0.035 -2.803 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.899 0.384 -0.454 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.345 0.821 -1.683 1.00 0.00 C ATOM 1488 OH TYR A 65 9.948 2.050 -1.793 1.00 0.00 O ATOM 0 H TYR A 65 4.958 -2.092 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 65 6.158 -2.908 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.364 -3.276 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.078 -3.766 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.459 -1.811 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.942 -1.192 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.541 0.382 -3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.024 1.004 0.422 1.00 0.00 H new ATOM 0 HH TYR A 65 9.980 2.479 -0.912 1.00 0.00 H new ATOM 1498 N THR A 66 5.815 -5.399 -2.529 1.00 0.00 N ATOM 1499 CA THR A 66 5.293 -6.747 -2.392 1.00 0.00 C ATOM 1500 C THR A 66 6.319 -7.765 -2.878 1.00 0.00 C ATOM 1501 O THR A 66 7.342 -7.396 -3.456 1.00 0.00 O ATOM 1502 CB THR A 66 3.967 -6.918 -3.169 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.314 -8.136 -2.775 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.208 -6.930 -4.673 1.00 0.00 C ATOM 0 H THR A 66 6.504 -5.289 -3.273 1.00 0.00 H new ATOM 0 HA THR A 66 5.091 -6.920 -1.335 1.00 0.00 H new ATOM 0 HB THR A 66 3.327 -6.069 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.353 -8.065 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.258 -7.052 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.669 -5.990 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.870 -7.757 -4.929 1.00 0.00 H new ATOM 1512 N LYS A 67 6.043 -9.042 -2.635 1.00 0.00 N ATOM 1513 CA LYS A 67 6.938 -10.110 -3.048 1.00 0.00 C ATOM 1514 C LYS A 67 6.203 -11.446 -3.075 1.00 0.00 C ATOM 1515 O LYS A 67 5.669 -11.852 -4.105 1.00 0.00 O ATOM 1516 CB LYS A 67 8.142 -10.195 -2.105 1.00 0.00 C ATOM 1517 CG LYS A 67 9.453 -10.475 -2.819 1.00 0.00 C ATOM 1518 CD LYS A 67 10.349 -11.392 -2.005 1.00 0.00 C ATOM 1519 CE LYS A 67 11.770 -10.860 -1.940 1.00 0.00 C ATOM 1520 NZ LYS A 67 12.653 -11.505 -2.945 1.00 0.00 N ATOM 0 H LYS A 67 5.203 -9.360 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 67 7.293 -9.886 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.230 -9.258 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.963 -10.980 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.250 -10.931 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.971 -9.535 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.949 -11.492 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.351 -12.388 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.761 -9.782 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.174 -11.027 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.528 -11.825 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.164 -12.321 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.886 -10.820 -3.692 1.00 0.00 H new ATOM 1534 N SER A 68 6.150 -12.104 -1.926 1.00 0.00 N ATOM 1535 CA SER A 68 5.562 -13.432 -1.812 1.00 0.00 C ATOM 1536 C SER A 68 4.041 -13.373 -1.662 1.00 0.00 C ATOM 1537 O SER A 68 3.447 -14.196 -0.968 1.00 0.00 O ATOM 1538 CB SER A 68 6.178 -14.132 -0.603 1.00 0.00 C ATOM 1539 OG SER A 68 7.051 -13.248 0.085 1.00 0.00 O ATOM 0 H SER A 68 6.513 -11.734 -1.047 1.00 0.00 H new ATOM 0 HA SER A 68 5.773 -13.986 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.390 -14.473 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.726 -15.017 -0.926 1.00 0.00 H new ATOM 0 HG SER A 68 7.383 -13.683 0.898 1.00 0.00 H new ATOM 1545 N GLY A 69 3.410 -12.408 -2.322 1.00 0.00 N ATOM 1546 CA GLY A 69 1.978 -12.238 -2.183 1.00 0.00 C ATOM 1547 C GLY A 69 1.612 -11.711 -0.813 1.00 0.00 C ATOM 1548 O GLY A 69 0.523 -11.975 -0.298 1.00 0.00 O ATOM 0 H GLY A 69 3.864 -11.743 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.617 -11.550 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.479 -13.192 -2.352 1.00 0.00 H new ATOM 1552 N MET A 70 2.534 -10.971 -0.218 1.00 0.00 N ATOM 1553 CA MET A 70 2.341 -10.427 1.114 1.00 0.00 C ATOM 1554 C MET A 70 2.341 -8.908 1.069 1.00 0.00 C ATOM 1555 O MET A 70 3.082 -8.300 0.289 1.00 0.00 O ATOM 1556 CB MET A 70 3.442 -10.922 2.053 1.00 0.00 C ATOM 1557 CG MET A 70 2.915 -11.672 3.265 1.00 0.00 C ATOM 1558 SD MET A 70 3.110 -13.460 3.117 1.00 0.00 S ATOM 1559 CE MET A 70 4.893 -13.616 3.207 1.00 0.00 C ATOM 0 H MET A 70 3.430 -10.733 -0.642 1.00 0.00 H new ATOM 0 HA MET A 70 1.377 -10.768 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.116 -11.574 1.497 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.030 -10.069 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.438 -11.326 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.860 -11.436 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.154 -14.622 3.536 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.324 -13.433 2.223 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.287 -12.888 3.917 1.00 0.00 H new ATOM 1569 N ILE A 71 1.499 -8.306 1.891 1.00 0.00 N ATOM 1570 CA ILE A 71 1.407 -6.856 1.980 1.00 0.00 C ATOM 1571 C ILE A 71 2.136 -6.347 3.217 1.00 0.00 C ATOM 1572 O ILE A 71 1.690 -6.561 4.344 1.00 0.00 O ATOM 1573 CB ILE A 71 -0.059 -6.364 2.030 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -1.027 -7.525 2.295 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.420 -5.659 0.734 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.071 -7.963 3.745 1.00 0.00 C ATOM 0 H ILE A 71 0.862 -8.804 2.513 1.00 0.00 H new ATOM 0 HA ILE A 71 1.874 -6.460 1.078 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.151 -5.658 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.029 -7.229 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.739 -8.375 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.454 -5.317 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.239 -4.803 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.304 -6.350 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.776 -8.787 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.079 -8.291 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.389 -7.127 4.368 1.00 0.00 H new ATOM 1588 N LEU A 72 3.267 -5.701 3.000 1.00 0.00 N ATOM 1589 CA LEU A 72 4.037 -5.120 4.085 1.00 0.00 C ATOM 1590 C LEU A 72 4.245 -3.631 3.844 1.00 0.00 C ATOM 1591 O LEU A 72 4.177 -3.165 2.702 1.00 0.00 O ATOM 1592 CB LEU A 72 5.391 -5.824 4.206 1.00 0.00 C ATOM 1593 CG LEU A 72 5.384 -7.144 4.983 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.352 -7.123 6.102 1.00 0.00 C ATOM 1595 CD2 LEU A 72 5.147 -8.316 4.044 1.00 0.00 C ATOM 0 H LEU A 72 3.675 -5.565 2.075 1.00 0.00 H new ATOM 0 HA LEU A 72 3.485 -5.253 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.771 -6.016 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.092 -5.143 4.688 1.00 0.00 H new ATOM 0 HG LEU A 72 6.364 -7.268 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.373 -8.074 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.584 -6.315 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.360 -6.965 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.145 -9.245 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.185 -8.194 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.940 -8.350 3.297 1.00 0.00 H new ATOM 1607 N CYS A 73 4.490 -2.891 4.917 1.00 0.00 N ATOM 1608 CA CYS A 73 4.747 -1.470 4.808 1.00 0.00 C ATOM 1609 C CYS A 73 6.160 -1.233 4.273 1.00 0.00 C ATOM 1610 O CYS A 73 6.935 -2.181 4.100 1.00 0.00 O ATOM 1611 CB CYS A 73 4.534 -0.776 6.167 1.00 0.00 C ATOM 1612 SG CYS A 73 5.623 -1.352 7.516 1.00 0.00 S ATOM 0 H CYS A 73 4.515 -3.255 5.870 1.00 0.00 H new ATOM 0 HA CYS A 73 4.040 -1.033 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.681 0.296 6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.498 -0.921 6.472 1.00 0.00 H new ATOM 0 HG CYS A 73 5.550 -0.524 8.516 1.00 0.00 H new ATOM 1617 N ARG A 74 6.487 0.030 4.019 1.00 0.00 N ATOM 1618 CA ARG A 74 7.785 0.400 3.453 1.00 0.00 C ATOM 1619 C ARG A 74 8.929 -0.089 4.340 1.00 0.00 C ATOM 1620 O ARG A 74 9.960 -0.545 3.850 1.00 0.00 O ATOM 1621 CB ARG A 74 7.882 1.921 3.272 1.00 0.00 C ATOM 1622 CG ARG A 74 6.612 2.564 2.728 1.00 0.00 C ATOM 1623 CD ARG A 74 6.793 3.047 1.296 1.00 0.00 C ATOM 1624 NE ARG A 74 7.484 4.337 1.230 1.00 0.00 N ATOM 1625 CZ ARG A 74 7.893 4.913 0.098 1.00 0.00 C ATOM 1626 NH1 ARG A 74 7.636 4.345 -1.075 1.00 0.00 N ATOM 1627 NH2 ARG A 74 8.538 6.071 0.144 1.00 0.00 N ATOM 0 H ARG A 74 5.868 0.821 4.197 1.00 0.00 H new ATOM 0 HA ARG A 74 7.871 -0.080 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.124 2.376 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.708 2.144 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.794 1.845 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.329 3.404 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.359 2.305 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.817 3.135 0.818 1.00 0.00 H new ATOM 0 HE ARG A 74 7.664 4.827 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.124 3.464 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.951 4.790 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.720 6.518 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.852 6.514 -0.719 1.00 0.00 H new ATOM 1641 N ASN A 75 8.726 -0.008 5.647 1.00 0.00 N ATOM 1642 CA ASN A 75 9.740 -0.426 6.609 1.00 0.00 C ATOM 1643 C ASN A 75 9.699 -1.938 6.814 1.00 0.00 C ATOM 1644 O ASN A 75 10.719 -2.573 7.084 1.00 0.00 O ATOM 1645 CB ASN A 75 9.530 0.319 7.941 1.00 0.00 C ATOM 1646 CG ASN A 75 9.359 -0.600 9.142 1.00 0.00 C ATOM 1647 OD1 ASN A 75 10.313 -0.864 9.875 1.00 0.00 O ATOM 1648 ND2 ASN A 75 8.142 -1.081 9.360 1.00 0.00 N ATOM 0 H ASN A 75 7.866 0.344 6.068 1.00 0.00 H new ATOM 0 HA ASN A 75 10.726 -0.173 6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.382 0.976 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.649 0.956 7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.971 -1.693 10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.377 -0.839 8.730 1.00 0.00 H new ATOM 1655 N ASP A 76 8.516 -2.510 6.657 1.00 0.00 N ATOM 1656 CA ASP A 76 8.303 -3.923 6.934 1.00 0.00 C ATOM 1657 C ASP A 76 8.979 -4.807 5.911 1.00 0.00 C ATOM 1658 O ASP A 76 9.711 -5.723 6.272 1.00 0.00 O ATOM 1659 CB ASP A 76 6.822 -4.246 6.937 1.00 0.00 C ATOM 1660 CG ASP A 76 6.342 -4.791 8.258 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.148 -5.437 8.977 1.00 0.00 O ATOM 1662 OD2 ASP A 76 5.163 -4.576 8.579 1.00 0.00 O ATOM 0 H ASP A 76 7.684 -2.015 6.337 1.00 0.00 H new ATOM 0 HA ASP A 76 8.738 -4.119 7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.258 -3.345 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.612 -4.973 6.152 1.00 0.00 H new ATOM 1667 N TYR A 77 8.718 -4.536 4.634 1.00 0.00 N ATOM 1668 CA TYR A 77 9.224 -5.382 3.561 1.00 0.00 C ATOM 1669 C TYR A 77 10.742 -5.522 3.639 1.00 0.00 C ATOM 1670 O TYR A 77 11.275 -6.622 3.498 1.00 0.00 O ATOM 1671 CB TYR A 77 8.827 -4.835 2.187 1.00 0.00 C ATOM 1672 CG TYR A 77 9.492 -5.589 1.060 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.233 -6.940 0.859 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.404 -4.962 0.222 1.00 0.00 C ATOM 1675 CE1 TYR A 77 9.859 -7.642 -0.149 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.040 -5.661 -0.786 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.764 -6.999 -0.968 1.00 0.00 C ATOM 1678 OH TYR A 77 11.409 -7.700 -1.959 1.00 0.00 O ATOM 0 H TYR A 77 8.162 -3.741 4.320 1.00 0.00 H new ATOM 0 HA TYR A 77 8.773 -6.366 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.745 -4.894 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.097 -3.781 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.530 -7.448 1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.620 -3.913 0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.642 -8.690 -0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.750 -5.161 -1.428 1.00 0.00 H new ATOM 0 HH TYR A 77 12.377 -7.655 -1.814 1.00 0.00 H new ATOM 1688 N ILE A 78 11.421 -4.410 3.880 1.00 0.00 N ATOM 1689 CA ILE A 78 12.876 -4.395 3.963 1.00 0.00 C ATOM 1690 C ILE A 78 13.364 -5.276 5.114 1.00 0.00 C ATOM 1691 O ILE A 78 14.348 -6.005 4.983 1.00 0.00 O ATOM 1692 CB ILE A 78 13.396 -2.947 4.137 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.323 -2.208 2.799 1.00 0.00 C ATOM 1694 CG2 ILE A 78 14.817 -2.923 4.689 1.00 0.00 C ATOM 1695 CD1 ILE A 78 14.157 -2.848 1.706 1.00 0.00 C ATOM 0 H ILE A 78 10.984 -3.499 4.023 1.00 0.00 H new ATOM 0 HA ILE A 78 13.272 -4.798 3.031 1.00 0.00 H new ATOM 0 HB ILE A 78 12.759 -2.440 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.284 -2.165 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.655 -1.180 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.148 -1.890 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.838 -3.415 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.483 -3.447 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.057 -2.271 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.203 -2.867 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.811 -3.867 1.534 1.00 0.00 H new ATOM 1707 N ARG A 79 12.645 -5.222 6.225 1.00 0.00 N ATOM 1708 CA ARG A 79 13.001 -5.987 7.412 1.00 0.00 C ATOM 1709 C ARG A 79 12.626 -7.463 7.250 1.00 0.00 C ATOM 1710 O ARG A 79 13.375 -8.351 7.654 1.00 0.00 O ATOM 1711 CB ARG A 79 12.302 -5.386 8.634 1.00 0.00 C ATOM 1712 CG ARG A 79 12.315 -6.276 9.867 1.00 0.00 C ATOM 1713 CD ARG A 79 11.351 -5.768 10.925 1.00 0.00 C ATOM 1714 NE ARG A 79 9.961 -6.073 10.591 1.00 0.00 N ATOM 1715 CZ ARG A 79 9.182 -6.880 11.309 1.00 0.00 C ATOM 1716 NH1 ARG A 79 9.665 -7.507 12.376 1.00 0.00 N ATOM 1717 NH2 ARG A 79 7.919 -7.066 10.951 1.00 0.00 N ATOM 0 H ARG A 79 11.805 -4.652 6.330 1.00 0.00 H new ATOM 0 HA ARG A 79 14.081 -5.935 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.780 -4.438 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.267 -5.163 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.046 -7.294 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.323 -6.315 10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.599 -6.216 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.469 -4.690 11.036 1.00 0.00 H new ATOM 0 HE ARG A 79 9.563 -5.641 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.638 -7.372 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.063 -8.124 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.547 -6.592 10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.319 -7.683 11.498 1.00 0.00 H new ATOM 1731 N LEU A 80 11.464 -7.710 6.660 1.00 0.00 N ATOM 1732 CA LEU A 80 10.963 -9.068 6.476 1.00 0.00 C ATOM 1733 C LEU A 80 11.755 -9.810 5.400 1.00 0.00 C ATOM 1734 O LEU A 80 12.316 -10.879 5.652 1.00 0.00 O ATOM 1735 CB LEU A 80 9.478 -9.027 6.099 1.00 0.00 C ATOM 1736 CG LEU A 80 8.557 -9.843 7.005 1.00 0.00 C ATOM 1737 CD1 LEU A 80 7.974 -8.966 8.097 1.00 0.00 C ATOM 1738 CD2 LEU A 80 7.447 -10.478 6.190 1.00 0.00 C ATOM 0 H LEU A 80 10.846 -6.983 6.298 1.00 0.00 H new ATOM 0 HA LEU A 80 11.085 -9.606 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.145 -7.989 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.369 -9.387 5.076 1.00 0.00 H new ATOM 0 HG LEU A 80 9.143 -10.634 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.321 -9.563 8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.782 -8.548 8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.400 -8.156 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.798 -11.056 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.864 -9.698 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.880 -11.136 5.437 1.00 0.00 H new ATOM 1750 N PHE A 81 11.805 -9.236 4.207 1.00 0.00 N ATOM 1751 CA PHE A 81 12.486 -9.868 3.084 1.00 0.00 C ATOM 1752 C PHE A 81 13.615 -8.982 2.579 1.00 0.00 C ATOM 1753 O PHE A 81 14.785 -9.188 2.916 1.00 0.00 O ATOM 1754 CB PHE A 81 11.496 -10.147 1.941 1.00 0.00 C ATOM 1755 CG PHE A 81 10.529 -11.259 2.222 1.00 0.00 C ATOM 1756 CD1 PHE A 81 9.382 -11.024 2.958 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.764 -12.539 1.744 1.00 0.00 C ATOM 1758 CE1 PHE A 81 8.488 -12.042 3.219 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.873 -13.564 2.002 1.00 0.00 C ATOM 1760 CZ PHE A 81 8.734 -13.315 2.741 1.00 0.00 C ATOM 0 H PHE A 81 11.382 -8.333 3.990 1.00 0.00 H new ATOM 0 HA PHE A 81 12.904 -10.814 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 81 10.934 -9.237 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.058 -10.389 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.184 -10.031 3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.653 -12.738 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.597 -11.844 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.068 -14.558 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.036 -14.114 2.945 1.00 0.00 H new ATOM 1770 N GLY A 82 13.254 -7.990 1.784 1.00 0.00 N ATOM 1771 CA GLY A 82 14.241 -7.132 1.174 1.00 0.00 C ATOM 1772 C GLY A 82 14.743 -7.718 -0.126 1.00 0.00 C ATOM 1773 O GLY A 82 15.952 -7.999 -0.226 1.00 0.00 O ATOM 1774 OXT GLY A 82 13.917 -7.927 -1.041 1.00 0.00 O ATOM 0 H GLY A 82 12.288 -7.763 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.809 -6.149 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.077 -6.990 1.859 1.00 0.00 H new