USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=29 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 -117:sc= 1.23 USER MOD Set 1.2: A 70 MET CE :methyl 161:sc= -0.016 (180deg=-0.21) USER MOD Set 2.1: A 50 CYS SG : rot 171:sc= 2.89 USER MOD Set 2.2: A 52 SER OG : rot 74:sc= 1.44 USER MOD Set 2.3: A 53 CYS SG : rot 50:sc= 0.559 USER MOD Set 2.4: A 73 CYS SG : rot -135:sc= -2.72! USER MOD Set 3.1: A 39 MET CE :methyl -162:sc= -0.0249 (180deg=-0.314) USER MOD Set 3.2: A 66 THR OG1 : rot 42:sc= 1.26 USER MOD Set 3.3: A 668 MET CE :methyl 137:sc= -1.26 (180deg=-3.45!) USER MOD Set 4.1: A 23 CYS SG : rot 76:sc= 0.868 USER MOD Set 4.2: A 26 CYS SG : rot 110:sc= 0.876 USER MOD Set 4.3: A 44 HIS : no HE2:sc= -4.38! C(o=-3.8!,f=-7.1!) USER MOD Set 4.4: A 47 CYS SG : rot 49:sc= -1.2! 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 41 SER OG : rot -64:sc= 1.2 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.164 USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= 0.749 (180deg=-0.322) USER MOD Single : A 51 SER OG : rot 69:sc= 0.987 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.737 F(o=-1.3!,f=-0.74) USER MOD Single : A 56 GLN : amide:sc= -1.23! K(o=-1.2!,f=-2.9) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.219 USER MOD Single : A 63 SER OG : rot 180:sc= 0.157 USER MOD Single : A 64 SER OG : rot 96:sc= 1.45 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.921 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 126:sc= 1.31 USER MOD Single : A 664 SER OG : rot 180:sc= 0.164 USER MOD Single : A 665 GLN : amide:sc= 0.741 K(o=0.74,f=-5.7!) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 675 THR OG1 : rot -170:sc= 0.837 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.354 -1.695 -6.454 1.00 0.00 N ATOM 327 CA LEU A 663 12.211 -2.326 -5.818 1.00 0.00 C ATOM 328 C LEU A 663 10.943 -2.107 -6.636 1.00 0.00 C ATOM 329 O LEU A 663 9.833 -2.330 -6.156 1.00 0.00 O ATOM 330 CB LEU A 663 12.028 -1.782 -4.397 1.00 0.00 C ATOM 331 CG LEU A 663 13.301 -1.732 -3.548 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.032 -1.018 -2.235 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.831 -3.134 -3.290 1.00 0.00 C ATOM 0 HA LEU A 663 12.399 -3.398 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.614 -0.776 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.291 -2.398 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 663 14.059 -1.176 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.946 -0.990 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.699 0.000 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 663 12.258 -1.551 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.736 -3.075 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.077 -3.716 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.060 -3.617 -4.240 1.00 0.00 H new ATOM 345 N SER A 664 11.122 -1.694 -7.881 1.00 0.00 N ATOM 346 CA SER A 664 10.007 -1.382 -8.765 1.00 0.00 C ATOM 347 C SER A 664 9.169 -2.623 -9.075 1.00 0.00 C ATOM 348 O SER A 664 7.964 -2.530 -9.295 1.00 0.00 O ATOM 349 CB SER A 664 10.553 -0.773 -10.051 1.00 0.00 C ATOM 350 OG SER A 664 11.950 -0.540 -9.929 1.00 0.00 O ATOM 0 H SER A 664 12.040 -1.566 -8.307 1.00 0.00 H new ATOM 0 HA SER A 664 9.352 -0.669 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.360 -1.442 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.038 0.163 -10.266 1.00 0.00 H new ATOM 0 HG SER A 664 12.291 -0.150 -10.761 1.00 0.00 H new ATOM 356 N GLN A 665 9.811 -3.783 -9.074 1.00 0.00 N ATOM 357 CA GLN A 665 9.127 -5.044 -9.340 1.00 0.00 C ATOM 358 C GLN A 665 8.257 -5.441 -8.152 1.00 0.00 C ATOM 359 O GLN A 665 7.242 -6.123 -8.311 1.00 0.00 O ATOM 360 CB GLN A 665 10.144 -6.152 -9.626 1.00 0.00 C ATOM 361 CG GLN A 665 11.070 -5.852 -10.793 1.00 0.00 C ATOM 362 CD GLN A 665 12.301 -5.069 -10.375 1.00 0.00 C ATOM 363 OE1 GLN A 665 12.395 -4.594 -9.242 1.00 0.00 O ATOM 364 NE2 GLN A 665 13.250 -4.934 -11.280 1.00 0.00 N ATOM 0 H GLN A 665 10.810 -3.878 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 665 8.491 -4.909 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.745 -6.320 -8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 665 9.609 -7.080 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 665 11.380 -6.789 -11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.524 -5.288 -11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 665 13.133 -5.343 -12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 665 14.102 -4.421 -11.053 1.00 0.00 H new ATOM 373 N TYR A 666 8.660 -5.013 -6.963 1.00 0.00 N ATOM 374 CA TYR A 666 7.941 -5.353 -5.741 1.00 0.00 C ATOM 375 C TYR A 666 6.927 -4.270 -5.400 1.00 0.00 C ATOM 376 O TYR A 666 6.100 -4.441 -4.502 1.00 0.00 O ATOM 377 CB TYR A 666 8.915 -5.532 -4.576 1.00 0.00 C ATOM 378 CG TYR A 666 10.231 -6.166 -4.966 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.306 -7.509 -5.312 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.398 -5.419 -4.987 1.00 0.00 C ATOM 381 CE1 TYR A 666 11.509 -8.089 -5.663 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.603 -5.989 -5.341 1.00 0.00 C ATOM 383 CZ TYR A 666 12.654 -7.322 -5.678 1.00 0.00 C ATOM 384 OH TYR A 666 13.859 -7.892 -6.023 1.00 0.00 O ATOM 0 H TYR A 666 9.483 -4.428 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 666 7.414 -6.292 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.112 -4.558 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.441 -6.146 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 666 9.408 -8.110 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.363 -4.373 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 666 11.552 -9.136 -5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.503 -5.392 -5.354 1.00 0.00 H new ATOM 0 HH TYR A 666 14.565 -7.213 -5.984 1.00 0.00 H new ATOM 394 N LYS A 667 7.010 -3.149 -6.109 1.00 0.00 N ATOM 395 CA LYS A 667 6.087 -2.043 -5.909 1.00 0.00 C ATOM 396 C LYS A 667 4.681 -2.452 -6.310 1.00 0.00 C ATOM 397 O LYS A 667 4.439 -2.844 -7.453 1.00 0.00 O ATOM 398 CB LYS A 667 6.510 -0.823 -6.728 1.00 0.00 C ATOM 399 CG LYS A 667 7.077 0.311 -5.894 1.00 0.00 C ATOM 400 CD LYS A 667 8.287 0.948 -6.564 1.00 0.00 C ATOM 401 CE LYS A 667 8.804 2.140 -5.776 1.00 0.00 C ATOM 402 NZ LYS A 667 10.174 2.540 -6.199 1.00 0.00 N ATOM 0 H LYS A 667 7.712 -2.984 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 667 6.104 -1.781 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 667 7.256 -1.130 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.649 -0.455 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.308 1.067 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.361 -0.066 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 667 9.080 0.207 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 667 8.019 1.266 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 667 8.125 2.982 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 667 8.810 1.897 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 10.487 3.356 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 10.829 1.746 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 10.165 2.798 -7.207 1.00 0.00 H new ATOM 416 N MET A 668 3.761 -2.367 -5.372 1.00 0.00 N ATOM 417 CA MET A 668 2.376 -2.712 -5.650 1.00 0.00 C ATOM 418 C MET A 668 1.607 -1.478 -6.098 1.00 0.00 C ATOM 419 O MET A 668 1.587 -0.457 -5.407 1.00 0.00 O ATOM 420 CB MET A 668 1.701 -3.361 -4.436 1.00 0.00 C ATOM 421 CG MET A 668 1.770 -2.535 -3.161 1.00 0.00 C ATOM 422 SD MET A 668 0.955 -3.335 -1.761 1.00 0.00 S ATOM 423 CE MET A 668 1.797 -4.916 -1.735 1.00 0.00 C ATOM 0 H MET A 668 3.942 -2.064 -4.415 1.00 0.00 H new ATOM 0 HA MET A 668 2.368 -3.445 -6.457 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.655 -3.550 -4.676 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.166 -4.330 -4.252 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.814 -2.350 -2.910 1.00 0.00 H new ATOM 0 HG3 MET A 668 1.308 -1.564 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 668 2.038 -5.183 -0.706 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.150 -5.680 -2.166 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.716 -4.848 -2.317 1.00 0.00 H new ATOM 433 N ASP A 669 1.015 -1.561 -7.276 1.00 0.00 N ATOM 434 CA ASP A 669 0.215 -0.467 -7.797 1.00 0.00 C ATOM 435 C ASP A 669 -1.147 -0.454 -7.127 1.00 0.00 C ATOM 436 O ASP A 669 -1.939 -1.385 -7.291 1.00 0.00 O ATOM 437 CB ASP A 669 0.041 -0.579 -9.312 1.00 0.00 C ATOM 438 CG ASP A 669 -0.943 0.443 -9.853 1.00 0.00 C ATOM 439 OD1 ASP A 669 -0.611 1.644 -9.869 1.00 0.00 O ATOM 440 OD2 ASP A 669 -2.055 0.049 -10.271 1.00 0.00 O ATOM 0 H ASP A 669 1.073 -2.374 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 669 0.739 0.464 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.007 -0.443 -9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.304 -1.582 -9.563 1.00 0.00 H new ATOM 445 N VAL A 670 -1.412 0.592 -6.364 1.00 0.00 N ATOM 446 CA VAL A 670 -2.696 0.734 -5.704 1.00 0.00 C ATOM 447 C VAL A 670 -3.701 1.348 -6.666 1.00 0.00 C ATOM 448 O VAL A 670 -3.769 2.568 -6.828 1.00 0.00 O ATOM 449 CB VAL A 670 -2.600 1.608 -4.435 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.875 1.500 -3.614 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.393 1.214 -3.595 1.00 0.00 C ATOM 0 H VAL A 670 -0.756 1.353 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.023 -0.261 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.475 2.645 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.788 2.123 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.722 1.837 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.030 0.463 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.347 1.844 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.483 0.170 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.483 1.346 -4.181 1.00 0.00 H new ATOM 461 N THR A 671 -4.460 0.491 -7.322 1.00 0.00 N ATOM 462 CA THR A 671 -5.480 0.928 -8.253 1.00 0.00 C ATOM 463 C THR A 671 -6.786 1.168 -7.509 1.00 0.00 C ATOM 464 O THR A 671 -7.447 0.226 -7.068 1.00 0.00 O ATOM 465 CB THR A 671 -5.684 -0.116 -9.369 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.496 -0.918 -9.501 1.00 0.00 O ATOM 467 CG2 THR A 671 -5.993 0.558 -10.695 1.00 0.00 C ATOM 0 H THR A 671 -4.387 -0.522 -7.225 1.00 0.00 H new ATOM 0 HA THR A 671 -5.155 1.860 -8.716 1.00 0.00 H new ATOM 0 HB THR A 671 -6.530 -0.748 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 671 -3.753 -0.355 -9.805 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.132 -0.201 -11.465 1.00 0.00 H new ATOM 0 HG22 THR A 671 -6.904 1.149 -10.599 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.165 1.210 -10.974 1.00 0.00 H new ATOM 475 N VAL A 672 -7.129 2.436 -7.341 1.00 0.00 N ATOM 476 CA VAL A 672 -8.309 2.813 -6.578 1.00 0.00 C ATOM 477 C VAL A 672 -9.550 2.793 -7.457 1.00 0.00 C ATOM 478 O VAL A 672 -9.659 3.565 -8.411 1.00 0.00 O ATOM 479 CB VAL A 672 -8.159 4.212 -5.946 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.047 4.337 -4.721 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.707 4.489 -5.586 1.00 0.00 C ATOM 0 H VAL A 672 -6.605 3.223 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.416 2.080 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.474 4.955 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.930 5.330 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.088 4.188 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.762 3.584 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.625 5.481 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.360 3.742 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.094 4.443 -6.486 1.00 0.00 H new ATOM 491 N ILE A 673 -10.469 1.899 -7.141 1.00 0.00 N ATOM 492 CA ILE A 673 -11.707 1.772 -7.891 1.00 0.00 C ATOM 493 C ILE A 673 -12.747 2.759 -7.382 1.00 0.00 C ATOM 494 O ILE A 673 -13.094 2.747 -6.201 1.00 0.00 O ATOM 495 CB ILE A 673 -12.280 0.338 -7.798 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.535 -0.593 -8.751 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.775 0.325 -8.104 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.648 -1.594 -8.045 1.00 0.00 C ATOM 0 H ILE A 673 -10.381 1.245 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.476 1.990 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.140 -0.018 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.260 -1.130 -9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.926 0.005 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.152 -0.695 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.299 0.957 -7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.943 0.703 -9.112 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.150 -2.223 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.900 -1.065 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.254 -2.217 -7.388 1.00 0.00 H new ATOM 510 N ASP A 674 -13.238 3.606 -8.275 1.00 0.00 N ATOM 511 CA ASP A 674 -14.309 4.531 -7.933 1.00 0.00 C ATOM 512 C ASP A 674 -15.618 3.762 -7.802 1.00 0.00 C ATOM 513 O ASP A 674 -16.283 3.485 -8.799 1.00 0.00 O ATOM 514 CB ASP A 674 -14.435 5.627 -8.996 1.00 0.00 C ATOM 515 CG ASP A 674 -14.919 6.945 -8.424 1.00 0.00 C ATOM 516 OD1 ASP A 674 -14.087 7.713 -7.889 1.00 0.00 O ATOM 517 OD2 ASP A 674 -16.131 7.234 -8.520 1.00 0.00 O ATOM 0 H ASP A 674 -12.913 3.672 -9.240 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.077 5.010 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.467 5.777 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -15.126 5.297 -9.772 1.00 0.00 H new ATOM 522 N THR A 675 -15.955 3.387 -6.575 1.00 0.00 N ATOM 523 CA THR A 675 -17.129 2.571 -6.304 1.00 0.00 C ATOM 524 C THR A 675 -18.402 3.182 -6.885 1.00 0.00 C ATOM 525 O THR A 675 -18.674 4.371 -6.709 1.00 0.00 O ATOM 526 CB THR A 675 -17.300 2.374 -4.791 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.063 2.675 -4.129 1.00 0.00 O ATOM 528 CG2 THR A 675 -17.723 0.950 -4.470 1.00 0.00 C ATOM 0 H THR A 675 -15.423 3.640 -5.742 1.00 0.00 H new ATOM 0 HA THR A 675 -16.969 1.608 -6.788 1.00 0.00 H new ATOM 0 HB THR A 675 -18.082 3.047 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.121 2.405 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 675 -17.837 0.839 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.673 0.733 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 675 -16.963 0.255 -4.828 1.00 0.00 H new ATOM 806 N TRP A 20 -21.838 -7.587 -3.146 1.00 0.00 N ATOM 807 CA TRP A 20 -20.920 -6.778 -3.954 1.00 0.00 C ATOM 808 C TRP A 20 -19.638 -7.548 -4.259 1.00 0.00 C ATOM 809 O TRP A 20 -19.641 -8.500 -5.041 1.00 0.00 O ATOM 810 CB TRP A 20 -20.591 -5.447 -3.259 1.00 0.00 C ATOM 811 CG TRP A 20 -21.740 -4.865 -2.497 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.947 -4.486 -3.000 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.789 -4.598 -1.093 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.746 -4.006 -1.993 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.055 -4.060 -0.815 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.884 -4.762 -0.046 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.439 -3.683 0.468 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.265 -4.391 1.227 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.534 -3.855 1.475 1.00 0.00 C ATOM 0 HA TRP A 20 -21.422 -6.555 -4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.755 -5.601 -2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.262 -4.727 -4.009 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.234 -4.553 -4.039 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.701 -3.664 -2.105 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.902 -5.172 -0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.418 -3.269 0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.572 -4.516 2.046 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -22.802 -3.572 2.482 1.00 0.00 H new ATOM 830 N LYS A 21 -18.547 -7.137 -3.634 1.00 0.00 N ATOM 831 CA LYS A 21 -17.266 -7.791 -3.824 1.00 0.00 C ATOM 832 C LYS A 21 -16.717 -8.285 -2.491 1.00 0.00 C ATOM 833 O LYS A 21 -16.688 -7.545 -1.506 1.00 0.00 O ATOM 834 CB LYS A 21 -16.276 -6.834 -4.489 1.00 0.00 C ATOM 835 CG LYS A 21 -15.581 -7.424 -5.707 1.00 0.00 C ATOM 836 CD LYS A 21 -16.517 -7.510 -6.904 1.00 0.00 C ATOM 837 CE LYS A 21 -15.899 -6.886 -8.146 1.00 0.00 C ATOM 838 NZ LYS A 21 -16.019 -7.770 -9.334 1.00 0.00 N ATOM 0 H LYS A 21 -18.525 -6.349 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.409 -8.652 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.804 -5.928 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.522 -6.539 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.717 -6.812 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.207 -8.419 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.759 -8.554 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.454 -7.005 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.386 -5.933 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.847 -6.672 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.585 -7.306 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.532 -8.670 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.024 -7.954 -9.530 1.00 0.00 H new ATOM 852 N ARG A 22 -16.297 -9.541 -2.469 1.00 0.00 N ATOM 853 CA ARG A 22 -15.759 -10.153 -1.261 1.00 0.00 C ATOM 854 C ARG A 22 -14.407 -9.552 -0.903 1.00 0.00 C ATOM 855 O ARG A 22 -13.551 -9.374 -1.771 1.00 0.00 O ATOM 856 CB ARG A 22 -15.619 -11.662 -1.454 1.00 0.00 C ATOM 857 CG ARG A 22 -16.702 -12.471 -0.761 1.00 0.00 C ATOM 858 CD ARG A 22 -18.080 -11.863 -0.976 1.00 0.00 C ATOM 859 NE ARG A 22 -18.888 -11.898 0.241 1.00 0.00 N ATOM 860 CZ ARG A 22 -20.129 -12.382 0.293 1.00 0.00 C ATOM 861 NH1 ARG A 22 -20.705 -12.871 -0.800 1.00 0.00 N ATOM 862 NH2 ARG A 22 -20.790 -12.392 1.444 1.00 0.00 N ATOM 0 H ARG A 22 -16.318 -10.161 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.452 -9.957 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.637 -11.886 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.646 -11.978 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.692 -13.493 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.490 -12.524 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.973 -10.831 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.596 -12.404 -1.770 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.479 -11.531 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.197 -12.877 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.655 -13.240 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.348 -12.029 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.740 -12.762 1.484 1.00 0.00 H new ATOM 876 N CYS A 23 -14.220 -9.250 0.374 1.00 0.00 N ATOM 877 CA CYS A 23 -12.975 -8.676 0.846 1.00 0.00 C ATOM 878 C CYS A 23 -12.013 -9.799 1.255 1.00 0.00 C ATOM 879 O CYS A 23 -12.409 -10.771 1.899 1.00 0.00 O ATOM 880 CB CYS A 23 -13.267 -7.661 1.969 1.00 0.00 C ATOM 881 SG CYS A 23 -12.971 -8.214 3.676 1.00 0.00 S ATOM 0 H CYS A 23 -14.920 -9.395 1.102 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.476 -8.120 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.660 -6.773 1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.310 -7.356 1.887 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.694 -8.212 3.917 1.00 0.00 H new ATOM 886 N ALA A 24 -10.754 -9.668 0.855 1.00 0.00 N ATOM 887 CA ALA A 24 -9.818 -10.793 0.866 1.00 0.00 C ATOM 888 C ALA A 24 -9.158 -11.027 2.225 1.00 0.00 C ATOM 889 O ALA A 24 -9.045 -12.169 2.672 1.00 0.00 O ATOM 890 CB ALA A 24 -8.755 -10.584 -0.199 1.00 0.00 C ATOM 0 H ALA A 24 -10.354 -8.793 0.518 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.402 -11.688 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.059 -11.423 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.229 -10.518 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.213 -9.661 0.005 1.00 0.00 H new ATOM 896 N GLY A 25 -8.706 -9.959 2.867 1.00 0.00 N ATOM 897 CA GLY A 25 -7.972 -10.092 4.112 1.00 0.00 C ATOM 898 C GLY A 25 -8.844 -10.569 5.251 1.00 0.00 C ATOM 899 O GLY A 25 -8.642 -11.663 5.777 1.00 0.00 O ATOM 0 H GLY A 25 -8.834 -8.999 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.149 -10.792 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.531 -9.130 4.374 1.00 0.00 H new ATOM 903 N CYS A 26 -9.815 -9.746 5.632 1.00 0.00 N ATOM 904 CA CYS A 26 -10.737 -10.089 6.701 1.00 0.00 C ATOM 905 C CYS A 26 -11.622 -11.271 6.308 1.00 0.00 C ATOM 906 O CYS A 26 -12.026 -12.062 7.163 1.00 0.00 O ATOM 907 CB CYS A 26 -11.596 -8.876 7.062 1.00 0.00 C ATOM 908 SG CYS A 26 -10.833 -7.277 6.638 1.00 0.00 S ATOM 0 H CYS A 26 -9.982 -8.832 5.211 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.154 -10.384 7.573 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.555 -8.957 6.550 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.804 -8.896 8.132 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.482 -6.735 5.651 1.00 0.00 H new ATOM 913 N GLY A 27 -11.922 -11.375 5.020 1.00 0.00 N ATOM 914 CA GLY A 27 -12.704 -12.490 4.531 1.00 0.00 C ATOM 915 C GLY A 27 -14.192 -12.229 4.598 1.00 0.00 C ATOM 916 O GLY A 27 -14.961 -13.089 5.031 1.00 0.00 O ATOM 0 H GLY A 27 -11.637 -10.705 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.422 -12.703 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.468 -13.379 5.116 1.00 0.00 H new ATOM 920 N GLY A 28 -14.603 -11.044 4.174 1.00 0.00 N ATOM 921 CA GLY A 28 -16.008 -10.697 4.194 1.00 0.00 C ATOM 922 C GLY A 28 -16.443 -10.037 2.906 1.00 0.00 C ATOM 923 O GLY A 28 -16.400 -10.647 1.839 1.00 0.00 O ATOM 0 H GLY A 28 -13.987 -10.315 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.602 -11.596 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.205 -10.026 5.030 1.00 0.00 H new ATOM 927 N LYS A 29 -16.861 -8.791 3.004 1.00 0.00 N ATOM 928 CA LYS A 29 -17.253 -8.019 1.835 1.00 0.00 C ATOM 929 C LYS A 29 -16.880 -6.565 2.045 1.00 0.00 C ATOM 930 O LYS A 29 -16.945 -6.060 3.169 1.00 0.00 O ATOM 931 CB LYS A 29 -18.756 -8.152 1.569 1.00 0.00 C ATOM 932 CG LYS A 29 -19.595 -8.262 2.833 1.00 0.00 C ATOM 933 CD LYS A 29 -21.074 -8.419 2.514 1.00 0.00 C ATOM 934 CE LYS A 29 -21.885 -7.271 3.087 1.00 0.00 C ATOM 935 NZ LYS A 29 -23.322 -7.618 3.234 1.00 0.00 N ATOM 0 H LYS A 29 -16.939 -8.286 3.887 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.725 -8.407 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.092 -7.288 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.930 -9.033 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.257 -9.115 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.447 -7.373 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.213 -8.462 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -21.438 -9.363 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.479 -6.991 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.788 -6.400 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.837 -6.805 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.718 -7.860 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.419 -8.432 3.873 1.00 0.00 H new ATOM 949 N ILE A 30 -16.467 -5.898 0.981 1.00 0.00 N ATOM 950 CA ILE A 30 -16.043 -4.516 1.093 1.00 0.00 C ATOM 951 C ILE A 30 -17.253 -3.600 1.232 1.00 0.00 C ATOM 952 O ILE A 30 -17.983 -3.357 0.273 1.00 0.00 O ATOM 953 CB ILE A 30 -15.187 -4.077 -0.117 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.929 -4.940 -0.210 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.809 -2.604 -0.007 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.742 -5.597 -1.562 1.00 0.00 C ATOM 0 H ILE A 30 -16.417 -6.287 0.040 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.424 -4.437 1.987 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.777 -4.211 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.058 -4.322 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.971 -5.713 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.207 -2.318 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.714 -1.997 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.235 -2.443 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.829 -6.193 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.595 -6.242 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.667 -4.829 -2.332 1.00 0.00 H new ATOM 968 N ALA A 31 -17.449 -3.098 2.440 1.00 0.00 N ATOM 969 CA ALA A 31 -18.496 -2.131 2.713 1.00 0.00 C ATOM 970 C ALA A 31 -17.881 -0.872 3.290 1.00 0.00 C ATOM 971 O ALA A 31 -18.567 -0.017 3.849 1.00 0.00 O ATOM 972 CB ALA A 31 -19.530 -2.712 3.665 1.00 0.00 C ATOM 0 H ALA A 31 -16.889 -3.349 3.255 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.005 -1.883 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.306 -1.971 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.978 -3.599 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.048 -2.983 4.604 1.00 0.00 H new ATOM 978 N ASP A 32 -16.566 -0.783 3.147 1.00 0.00 N ATOM 979 CA ASP A 32 -15.811 0.361 3.632 1.00 0.00 C ATOM 980 C ASP A 32 -16.163 1.601 2.820 1.00 0.00 C ATOM 981 O ASP A 32 -16.971 2.426 3.243 1.00 0.00 O ATOM 982 CB ASP A 32 -14.315 0.068 3.534 1.00 0.00 C ATOM 983 CG ASP A 32 -13.565 0.456 4.787 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.694 1.618 5.224 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.846 -0.406 5.342 1.00 0.00 O ATOM 0 H ASP A 32 -15.996 -1.498 2.694 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.068 0.546 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.168 -0.995 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.898 0.607 2.683 1.00 0.00 H new ATOM 990 N ARG A 33 -15.558 1.715 1.649 1.00 0.00 N ATOM 991 CA ARG A 33 -15.891 2.769 0.705 1.00 0.00 C ATOM 992 C ARG A 33 -15.302 2.447 -0.656 1.00 0.00 C ATOM 993 O ARG A 33 -16.013 2.014 -1.557 1.00 0.00 O ATOM 994 CB ARG A 33 -15.388 4.140 1.176 1.00 0.00 C ATOM 995 CG ARG A 33 -15.797 5.274 0.249 1.00 0.00 C ATOM 996 CD ARG A 33 -16.173 6.530 1.013 1.00 0.00 C ATOM 997 NE ARG A 33 -17.601 6.824 0.910 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.512 6.439 1.803 1.00 0.00 C ATOM 999 NH1 ARG A 33 -18.141 5.803 2.908 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -19.793 6.713 1.604 1.00 0.00 N ATOM 0 H ARG A 33 -14.825 1.083 1.327 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.978 2.819 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.774 4.338 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -14.301 4.115 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.977 5.497 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.642 4.955 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.902 6.412 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.600 7.374 0.629 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.921 7.358 0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.154 5.607 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.843 5.511 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.082 7.219 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.490 6.418 2.288 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.001 2.646 -0.797 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.343 2.445 -2.073 1.00 0.00 C ATOM 1016 C PHE A 34 -12.610 1.116 -2.117 1.00 0.00 C ATOM 1017 O PHE A 34 -12.133 0.620 -1.093 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.388 3.600 -2.362 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.027 4.672 -3.190 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.185 5.296 -2.758 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.487 5.040 -4.409 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.795 6.262 -3.526 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -13.090 6.009 -5.181 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.247 6.618 -4.740 1.00 0.00 C ATOM 0 H PHE A 34 -13.383 2.946 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.109 2.421 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.043 4.028 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.508 3.220 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.615 5.021 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.584 4.563 -4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.700 6.739 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.658 6.291 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.724 7.374 -5.346 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.538 0.543 -3.308 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.844 -0.713 -3.522 1.00 0.00 C ATOM 1036 C LEU A 35 -10.431 -0.440 -4.007 1.00 0.00 C ATOM 1037 O LEU A 35 -10.231 0.291 -4.977 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.593 -1.566 -4.549 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.716 -2.441 -3.982 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -15.028 -1.672 -3.936 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -13.871 -3.710 -4.811 1.00 0.00 C ATOM 0 H LEU A 35 -12.958 0.936 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.802 -1.259 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.017 -0.905 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.874 -2.210 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.449 -2.722 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.811 -2.312 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.913 -0.793 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.301 -1.358 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.673 -4.321 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.113 -3.445 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.938 -4.274 -4.791 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.458 -1.009 -3.325 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.066 -0.796 -3.673 1.00 0.00 C ATOM 1055 C LEU A 36 -7.431 -2.084 -4.175 1.00 0.00 C ATOM 1056 O LEU A 36 -7.635 -3.157 -3.605 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.292 -0.268 -2.463 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.037 0.765 -1.612 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.801 0.512 -0.133 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.605 2.174 -1.988 1.00 0.00 C ATOM 0 H LEU A 36 -9.605 -1.624 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.024 -0.056 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.022 -1.112 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.361 0.177 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.104 0.666 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.339 1.257 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.160 -0.484 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.735 0.581 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.144 2.896 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.534 2.283 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.828 2.354 -3.040 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.682 -1.972 -5.257 1.00 0.00 N ATOM 1073 CA TYR A 37 -5.946 -3.101 -5.803 1.00 0.00 C ATOM 1074 C TYR A 37 -4.539 -3.138 -5.226 1.00 0.00 C ATOM 1075 O TYR A 37 -3.968 -2.098 -4.903 1.00 0.00 O ATOM 1076 CB TYR A 37 -5.868 -3.000 -7.325 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.768 -3.969 -8.054 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.735 -5.328 -7.772 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.646 -3.521 -9.029 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.555 -6.215 -8.441 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.470 -4.398 -9.701 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.423 -5.744 -9.405 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.243 -6.620 -10.079 1.00 0.00 O ATOM 0 H TYR A 37 -6.566 -1.104 -5.780 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.472 -4.017 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.127 -1.984 -7.625 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.838 -3.172 -7.638 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.057 -5.697 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.685 -2.468 -9.266 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.517 -7.270 -8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.150 -4.032 -10.456 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.792 -6.125 -10.722 1.00 0.00 H new ATOM 1093 N ALA A 38 -3.991 -4.337 -5.096 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.631 -4.509 -4.599 1.00 0.00 C ATOM 1095 C ALA A 38 -1.875 -5.520 -5.443 1.00 0.00 C ATOM 1096 O ALA A 38 -0.768 -5.259 -5.907 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.645 -4.948 -3.146 1.00 0.00 C ATOM 0 H ALA A 38 -4.468 -5.208 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.121 -3.548 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.621 -5.071 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.148 -4.193 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.176 -5.896 -3.057 1.00 0.00 H new ATOM 1103 N MET A 39 -2.483 -6.679 -5.640 1.00 0.00 N ATOM 1104 CA MET A 39 -1.863 -7.739 -6.417 1.00 0.00 C ATOM 1105 C MET A 39 -2.859 -8.316 -7.410 1.00 0.00 C ATOM 1106 O MET A 39 -2.779 -8.059 -8.610 1.00 0.00 O ATOM 1107 CB MET A 39 -1.350 -8.843 -5.493 1.00 0.00 C ATOM 1108 CG MET A 39 0.145 -8.786 -5.241 1.00 0.00 C ATOM 1109 SD MET A 39 0.645 -9.836 -3.864 1.00 0.00 S ATOM 1110 CE MET A 39 0.037 -8.881 -2.475 1.00 0.00 C ATOM 0 H MET A 39 -3.406 -6.909 -5.272 1.00 0.00 H new ATOM 0 HA MET A 39 -1.020 -7.318 -6.966 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.873 -8.777 -4.539 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.599 -9.812 -5.927 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.675 -9.094 -6.142 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.438 -7.756 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.531 -9.213 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.249 -7.825 -2.639 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.039 -9.024 -2.378 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.811 -9.082 -6.898 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.809 -9.723 -7.745 1.00 0.00 C ATOM 1122 C ASP A 40 -6.197 -9.643 -7.120 1.00 0.00 C ATOM 1123 O ASP A 40 -7.194 -9.982 -7.757 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.432 -11.190 -7.999 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.989 -12.146 -6.952 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.898 -11.839 -5.745 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.512 -13.217 -7.337 1.00 0.00 O ATOM 0 H ASP A 40 -3.914 -9.275 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.832 -9.190 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.797 -11.487 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.346 -11.280 -8.022 1.00 0.00 H new ATOM 1132 N SER A 41 -6.262 -9.189 -5.877 1.00 0.00 N ATOM 1133 CA SER A 41 -7.516 -9.169 -5.151 1.00 0.00 C ATOM 1134 C SER A 41 -7.959 -7.738 -4.882 1.00 0.00 C ATOM 1135 O SER A 41 -7.183 -6.797 -5.062 1.00 0.00 O ATOM 1136 CB SER A 41 -7.358 -9.936 -3.841 1.00 0.00 C ATOM 1137 OG SER A 41 -6.060 -10.507 -3.746 1.00 0.00 O ATOM 0 H SER A 41 -5.462 -8.831 -5.355 1.00 0.00 H new ATOM 0 HA SER A 41 -8.284 -9.650 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.528 -9.266 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.111 -10.721 -3.781 1.00 0.00 H new ATOM 0 HG SER A 41 -5.944 -11.176 -4.453 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.202 -7.587 -4.454 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.757 -6.281 -4.127 1.00 0.00 C ATOM 1145 C TYR A 42 -9.764 -6.091 -2.622 1.00 0.00 C ATOM 1146 O TYR A 42 -10.235 -6.954 -1.880 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.181 -6.139 -4.677 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.671 -7.343 -5.456 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -12.243 -8.432 -4.804 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -11.559 -7.389 -6.841 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.690 -9.530 -5.513 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.006 -8.484 -7.555 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.569 -9.551 -6.887 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.017 -10.643 -7.598 1.00 0.00 O ATOM 0 H TYR A 42 -9.853 -8.361 -4.324 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.134 -5.515 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.862 -5.957 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.223 -5.262 -5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.339 -8.418 -3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -11.116 -6.556 -7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.132 -10.368 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.915 -8.504 -8.631 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.859 -10.498 -8.554 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.226 -4.972 -2.175 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.105 -4.704 -0.755 1.00 0.00 C ATOM 1166 C TRP A 43 -9.751 -3.374 -0.393 1.00 0.00 C ATOM 1167 O TRP A 43 -10.119 -2.585 -1.259 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.629 -4.676 -0.332 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.774 -5.721 -0.986 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.303 -5.707 -2.266 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.269 -6.920 -0.387 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.561 -6.833 -2.509 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.522 -7.593 -1.370 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.386 -7.499 0.882 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.890 -8.807 -1.125 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.756 -8.705 1.125 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -5.018 -9.348 0.124 1.00 0.00 C ATOM 0 H TRP A 43 -8.865 -4.232 -2.777 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.619 -5.506 -0.226 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.217 -3.693 -0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.572 -4.802 0.749 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.488 -4.922 -2.984 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.111 -7.067 -3.394 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.958 -7.012 1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.318 -9.305 -1.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.834 -9.158 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.540 -10.291 0.343 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.890 -3.151 0.898 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.297 -1.863 1.440 1.00 0.00 C ATOM 1190 C HIS A 44 -9.216 -1.430 2.424 1.00 0.00 C ATOM 1191 O HIS A 44 -8.178 -2.088 2.512 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.682 -1.935 2.126 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.829 -3.063 3.105 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.336 -2.936 4.392 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.451 -4.350 2.980 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.237 -4.144 4.987 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.704 -5.010 4.158 1.00 0.00 N ATOM 0 H HIS A 44 -9.723 -3.862 1.610 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.402 -1.136 0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.867 -0.994 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.450 -2.033 1.359 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.714 -2.086 4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.018 -4.792 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.550 -4.365 5.997 1.00 0.00 H new ATOM 1205 N SER A 45 -9.447 -0.367 3.176 1.00 0.00 N ATOM 1206 CA SER A 45 -8.426 0.158 4.075 1.00 0.00 C ATOM 1207 C SER A 45 -8.046 -0.866 5.147 1.00 0.00 C ATOM 1208 O SER A 45 -6.877 -0.998 5.504 1.00 0.00 O ATOM 1209 CB SER A 45 -8.920 1.447 4.727 1.00 0.00 C ATOM 1210 OG SER A 45 -10.304 1.640 4.484 1.00 0.00 O ATOM 0 H SER A 45 -10.327 0.149 3.184 1.00 0.00 H new ATOM 0 HA SER A 45 -7.533 0.371 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.737 1.409 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.357 2.295 4.338 1.00 0.00 H new ATOM 0 HG SER A 45 -10.599 2.471 4.912 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.038 -1.608 5.627 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.821 -2.585 6.690 1.00 0.00 C ATOM 1218 C ARG A 46 -8.247 -3.893 6.148 1.00 0.00 C ATOM 1219 O ARG A 46 -7.771 -4.733 6.909 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.130 -2.853 7.428 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.088 -2.446 8.887 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.188 -3.371 9.693 1.00 0.00 C ATOM 1223 NE ARG A 46 -9.078 -2.953 11.088 1.00 0.00 N ATOM 1224 CZ ARG A 46 -9.549 -3.652 12.118 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -10.164 -4.815 11.915 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -9.403 -3.186 13.351 1.00 0.00 N ATOM 0 H ARG A 46 -10.002 -1.552 5.297 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.092 -2.166 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.937 -2.314 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.367 -3.915 7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.728 -1.421 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.096 -2.464 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.581 -4.387 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.196 -3.394 9.243 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.610 -2.068 11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.276 -5.174 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.523 -5.347 12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.931 -2.295 13.507 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.762 -3.718 14.143 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.299 -4.071 4.837 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.736 -5.258 4.214 1.00 0.00 C ATOM 1242 C CYS A 47 -6.303 -4.985 3.790 1.00 0.00 C ATOM 1243 O CYS A 47 -5.384 -5.727 4.145 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.564 -5.670 3.003 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.417 -7.269 3.188 1.00 0.00 S ATOM 0 H CYS A 47 -8.724 -3.411 4.186 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.750 -6.072 4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.306 -4.896 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.912 -5.718 2.131 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.045 -7.297 4.326 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.130 -3.903 3.047 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.826 -3.505 2.551 1.00 0.00 C ATOM 1252 C LEU A 48 -4.025 -2.823 3.652 1.00 0.00 C ATOM 1253 O LEU A 48 -4.014 -1.596 3.767 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.982 -2.568 1.349 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.589 -3.164 -0.007 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.227 -2.063 -0.987 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.433 -4.146 0.137 1.00 0.00 C ATOM 0 H LEU A 48 -6.889 -3.279 2.773 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.287 -4.397 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.021 -2.243 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.378 -1.678 1.524 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.449 -3.710 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.951 -2.505 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.083 -1.403 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.387 -1.490 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.177 -4.552 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.568 -3.631 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.726 -4.959 0.802 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.376 -3.629 4.473 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.555 -3.130 5.560 1.00 0.00 C ATOM 1271 C LYS A 49 -1.274 -3.945 5.643 1.00 0.00 C ATOM 1272 O LYS A 49 -1.230 -5.073 5.149 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.312 -3.203 6.897 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.442 -4.225 6.926 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.941 -5.615 7.290 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.068 -6.498 7.806 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.814 -7.158 6.702 1.00 0.00 N ATOM 0 H LYS A 49 -3.403 -4.646 4.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.312 -2.086 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.603 -3.441 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.723 -2.219 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.197 -3.911 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.927 -4.258 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.486 -6.079 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.163 -5.535 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.657 -7.258 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.757 -5.896 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.829 -7.172 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.664 -6.631 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.472 -8.133 6.586 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.234 -3.375 6.243 1.00 0.00 N ATOM 1292 CA CYS A 50 0.996 -4.114 6.460 1.00 0.00 C ATOM 1293 C CYS A 50 0.709 -5.301 7.371 1.00 0.00 C ATOM 1294 O CYS A 50 0.066 -5.154 8.410 1.00 0.00 O ATOM 1295 CB CYS A 50 2.081 -3.211 7.073 1.00 0.00 C ATOM 1296 SG CYS A 50 3.674 -4.055 7.387 1.00 0.00 S ATOM 0 H CYS A 50 -0.221 -2.413 6.583 1.00 0.00 H new ATOM 0 HA CYS A 50 1.371 -4.473 5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.256 -2.368 6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.709 -2.802 8.012 1.00 0.00 H new ATOM 0 HG CYS A 50 4.573 -3.176 7.719 1.00 0.00 H new ATOM 1301 N SER A 51 1.169 -6.475 6.976 1.00 0.00 N ATOM 1302 CA SER A 51 0.957 -7.681 7.764 1.00 0.00 C ATOM 1303 C SER A 51 1.772 -7.618 9.052 1.00 0.00 C ATOM 1304 O SER A 51 1.576 -8.420 9.967 1.00 0.00 O ATOM 1305 CB SER A 51 1.336 -8.923 6.948 1.00 0.00 C ATOM 1306 OG SER A 51 0.880 -8.815 5.608 1.00 0.00 O ATOM 0 H SER A 51 1.693 -6.621 6.113 1.00 0.00 H new ATOM 0 HA SER A 51 -0.099 -7.749 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.418 -9.051 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.906 -9.811 7.411 1.00 0.00 H new ATOM 0 HG SER A 51 1.384 -8.113 5.146 1.00 0.00 H new ATOM 1312 N SER A 52 2.671 -6.646 9.118 1.00 0.00 N ATOM 1313 CA SER A 52 3.520 -6.465 10.279 1.00 0.00 C ATOM 1314 C SER A 52 3.084 -5.247 11.094 1.00 0.00 C ATOM 1315 O SER A 52 3.044 -5.300 12.321 1.00 0.00 O ATOM 1316 CB SER A 52 4.973 -6.321 9.829 1.00 0.00 C ATOM 1317 OG SER A 52 5.105 -6.600 8.442 1.00 0.00 O ATOM 0 H SER A 52 2.829 -5.968 8.373 1.00 0.00 H new ATOM 0 HA SER A 52 3.428 -7.341 10.922 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.323 -5.310 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.604 -7.000 10.402 1.00 0.00 H new ATOM 0 HG SER A 52 4.736 -5.856 7.922 1.00 0.00 H new ATOM 1323 N CYS A 53 2.744 -4.158 10.405 1.00 0.00 N ATOM 1324 CA CYS A 53 2.337 -2.925 11.073 1.00 0.00 C ATOM 1325 C CYS A 53 0.860 -2.940 11.439 1.00 0.00 C ATOM 1326 O CYS A 53 0.463 -2.394 12.468 1.00 0.00 O ATOM 1327 CB CYS A 53 2.595 -1.720 10.164 1.00 0.00 C ATOM 1328 SG CYS A 53 4.344 -1.267 9.982 1.00 0.00 S ATOM 0 H CYS A 53 2.743 -4.106 9.386 1.00 0.00 H new ATOM 0 HA CYS A 53 2.927 -2.849 11.986 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.184 -1.932 9.177 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.051 -0.862 10.558 1.00 0.00 H new ATOM 0 HG CYS A 53 5.036 -2.324 9.675 1.00 0.00 H new ATOM 1333 N GLN A 54 0.059 -3.567 10.581 1.00 0.00 N ATOM 1334 CA GLN A 54 -1.397 -3.464 10.625 1.00 0.00 C ATOM 1335 C GLN A 54 -1.840 -2.047 10.285 1.00 0.00 C ATOM 1336 O GLN A 54 -3.000 -1.674 10.485 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.951 -3.894 11.981 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.084 -5.395 12.113 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.221 -5.963 11.286 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.316 -5.221 11.168 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -3.116 -7.066 10.747 1.00 0.00 N flip ATOM 0 H GLN A 54 0.405 -4.165 9.830 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.802 -4.145 9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.297 -3.521 12.770 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.927 -3.433 12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.149 -5.865 11.808 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.242 -5.650 13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.260 -7.609 10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.885 -7.436 10.189 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.905 -1.267 9.758 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.195 0.080 9.313 1.00 0.00 C ATOM 1352 C ALA A 55 -1.863 0.028 7.952 1.00 0.00 C ATOM 1353 O ALA A 55 -1.383 -0.658 7.047 1.00 0.00 O ATOM 1354 CB ALA A 55 0.076 0.913 9.256 1.00 0.00 C ATOM 0 H ALA A 55 0.066 -1.552 9.630 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.871 0.553 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.165 1.921 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.526 0.959 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.779 0.456 8.560 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.968 0.743 7.819 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.774 0.696 6.609 1.00 0.00 C ATOM 1362 C GLN A 56 -3.042 1.331 5.436 1.00 0.00 C ATOM 1363 O GLN A 56 -3.082 2.545 5.253 1.00 0.00 O ATOM 1364 CB GLN A 56 -5.113 1.408 6.829 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.619 1.348 8.260 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.992 0.715 8.364 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -7.137 -0.397 8.873 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -8.009 1.411 7.880 1.00 0.00 N ATOM 0 H GLN A 56 -3.330 1.368 8.540 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.959 -0.352 6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.010 2.452 6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.861 0.964 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.914 0.781 8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.655 2.357 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.848 2.329 7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.954 1.029 7.921 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.382 0.502 4.636 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.686 0.978 3.447 1.00 0.00 C ATOM 1379 C LEU A 57 -2.691 1.512 2.435 1.00 0.00 C ATOM 1380 O LEU A 57 -2.353 2.298 1.559 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.851 -0.141 2.817 1.00 0.00 C ATOM 1382 CG LEU A 57 0.048 -0.914 3.788 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.593 -2.170 3.130 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.194 -0.045 4.279 1.00 0.00 C ATOM 0 H LEU A 57 -2.314 -0.504 4.789 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.012 1.782 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.526 -0.847 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.226 0.291 2.035 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.559 -1.202 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.229 -2.704 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.235 -2.812 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.177 -1.896 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.816 -0.618 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.795 0.279 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.794 0.828 4.794 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.939 1.081 2.570 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.996 1.603 1.732 1.00 0.00 C ATOM 1398 C GLY A 58 -5.452 2.979 2.177 1.00 0.00 C ATOM 1399 O GLY A 58 -6.163 3.675 1.452 1.00 0.00 O ATOM 0 H GLY A 58 -4.236 0.378 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.648 1.653 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.843 0.918 1.750 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.039 3.374 3.375 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.401 4.677 3.920 1.00 0.00 C ATOM 1405 C ASP A 59 -4.256 5.660 3.743 1.00 0.00 C ATOM 1406 O ASP A 59 -4.380 6.848 4.038 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.769 4.565 5.402 1.00 0.00 C ATOM 1408 CG ASP A 59 -7.264 4.600 5.646 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.965 5.390 4.978 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.743 3.841 6.516 1.00 0.00 O ATOM 0 H ASP A 59 -4.452 2.809 3.989 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.271 5.042 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.363 3.636 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.298 5.381 5.950 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.148 5.137 3.257 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.938 5.918 3.011 1.00 0.00 C ATOM 1417 C ILE A 60 -1.383 5.568 1.639 1.00 0.00 C ATOM 1418 O ILE A 60 -0.770 4.517 1.470 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.841 5.646 4.069 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.455 5.441 5.456 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.161 6.789 4.100 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.685 4.466 6.321 1.00 0.00 C ATOM 0 H ILE A 60 -3.055 4.150 3.018 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.213 6.971 3.067 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.321 4.730 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.509 6.403 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.478 5.083 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.926 6.582 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.630 6.889 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.353 7.717 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.178 4.370 7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.653 3.492 5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.331 4.832 6.466 1.00 0.00 H new ATOM 1434 N GLY A 61 -1.576 6.459 0.673 1.00 0.00 N ATOM 1435 CA GLY A 61 -1.254 6.153 -0.715 1.00 0.00 C ATOM 1436 C GLY A 61 0.235 6.172 -1.028 1.00 0.00 C ATOM 1437 O GLY A 61 0.658 6.783 -2.008 1.00 0.00 O ATOM 0 H GLY A 61 -1.952 7.395 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.653 5.169 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.759 6.872 -1.360 1.00 0.00 H new ATOM 1441 N THR A 62 1.029 5.526 -0.191 1.00 0.00 N ATOM 1442 CA THR A 62 2.450 5.352 -0.453 1.00 0.00 C ATOM 1443 C THR A 62 2.722 3.930 -0.938 1.00 0.00 C ATOM 1444 O THR A 62 2.289 2.971 -0.300 1.00 0.00 O ATOM 1445 CB THR A 62 3.282 5.641 0.805 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.536 6.488 1.691 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.596 6.310 0.444 1.00 0.00 C ATOM 0 H THR A 62 0.711 5.109 0.684 1.00 0.00 H new ATOM 0 HA THR A 62 2.742 6.061 -1.228 1.00 0.00 H new ATOM 0 HB THR A 62 3.502 4.694 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.119 6.800 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.167 6.504 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.169 5.655 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.396 7.252 -0.067 1.00 0.00 H new ATOM 1455 N SER A 63 3.436 3.801 -2.051 1.00 0.00 N ATOM 1456 CA SER A 63 3.713 2.499 -2.653 1.00 0.00 C ATOM 1457 C SER A 63 4.364 1.533 -1.658 1.00 0.00 C ATOM 1458 O SER A 63 5.490 1.751 -1.205 1.00 0.00 O ATOM 1459 CB SER A 63 4.619 2.674 -3.874 1.00 0.00 C ATOM 1460 OG SER A 63 4.808 4.049 -4.180 1.00 0.00 O ATOM 0 H SER A 63 3.837 4.589 -2.559 1.00 0.00 H new ATOM 0 HA SER A 63 2.760 2.067 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.584 2.205 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.180 2.165 -4.732 1.00 0.00 H new ATOM 0 HG SER A 63 5.392 4.133 -4.963 1.00 0.00 H new ATOM 1466 N SER A 64 3.636 0.482 -1.307 1.00 0.00 N ATOM 1467 CA SER A 64 4.161 -0.572 -0.459 1.00 0.00 C ATOM 1468 C SER A 64 4.820 -1.647 -1.322 1.00 0.00 C ATOM 1469 O SER A 64 4.852 -1.527 -2.551 1.00 0.00 O ATOM 1470 CB SER A 64 3.024 -1.163 0.376 1.00 0.00 C ATOM 1471 OG SER A 64 1.763 -0.757 -0.135 1.00 0.00 O ATOM 0 H SER A 64 2.670 0.339 -1.602 1.00 0.00 H new ATOM 0 HA SER A 64 4.915 -0.165 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.091 -2.251 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.122 -0.842 1.413 1.00 0.00 H new ATOM 0 HG SER A 64 1.411 -1.453 -0.729 1.00 0.00 H new ATOM 1477 N TYR A 65 5.332 -2.696 -0.697 1.00 0.00 N ATOM 1478 CA TYR A 65 6.063 -3.715 -1.432 1.00 0.00 C ATOM 1479 C TYR A 65 5.585 -5.113 -1.069 1.00 0.00 C ATOM 1480 O TYR A 65 5.041 -5.338 0.012 1.00 0.00 O ATOM 1481 CB TYR A 65 7.561 -3.600 -1.153 1.00 0.00 C ATOM 1482 CG TYR A 65 8.171 -2.294 -1.601 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.334 -2.006 -2.947 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.587 -1.349 -0.674 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.896 -0.815 -3.357 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.150 -0.154 -1.076 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.302 0.108 -2.418 1.00 0.00 C ATOM 1488 OH TYR A 65 9.864 1.296 -2.824 1.00 0.00 O ATOM 0 H TYR A 65 5.256 -2.863 0.306 1.00 0.00 H new ATOM 0 HA TYR A 65 5.876 -3.552 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.731 -3.720 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.077 -4.420 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.016 -2.726 -3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.468 -1.552 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.017 -0.607 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.469 0.571 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 65 10.094 1.835 -2.038 1.00 0.00 H new ATOM 1498 N THR A 66 5.777 -6.039 -1.992 1.00 0.00 N ATOM 1499 CA THR A 66 5.504 -7.443 -1.741 1.00 0.00 C ATOM 1500 C THR A 66 6.591 -8.301 -2.379 1.00 0.00 C ATOM 1501 O THR A 66 7.302 -7.847 -3.278 1.00 0.00 O ATOM 1502 CB THR A 66 4.111 -7.863 -2.271 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.705 -9.094 -1.658 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.111 -8.013 -3.785 1.00 0.00 C ATOM 0 H THR A 66 6.124 -5.841 -2.930 1.00 0.00 H new ATOM 0 HA THR A 66 5.502 -7.597 -0.662 1.00 0.00 H new ATOM 0 HB THR A 66 3.403 -7.075 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.931 -9.075 -0.705 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.117 -8.309 -4.121 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.382 -7.063 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.834 -8.776 -4.075 1.00 0.00 H new ATOM 1512 N LYS A 67 6.729 -9.530 -1.906 1.00 0.00 N ATOM 1513 CA LYS A 67 7.764 -10.425 -2.399 1.00 0.00 C ATOM 1514 C LYS A 67 7.432 -11.869 -2.057 1.00 0.00 C ATOM 1515 O LYS A 67 7.195 -12.689 -2.938 1.00 0.00 O ATOM 1516 CB LYS A 67 9.119 -10.044 -1.796 1.00 0.00 C ATOM 1517 CG LYS A 67 10.280 -10.198 -2.760 1.00 0.00 C ATOM 1518 CD LYS A 67 11.582 -10.456 -2.024 1.00 0.00 C ATOM 1519 CE LYS A 67 12.708 -10.799 -2.984 1.00 0.00 C ATOM 1520 NZ LYS A 67 12.913 -12.267 -3.101 1.00 0.00 N ATOM 0 H LYS A 67 6.136 -9.931 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 67 7.815 -10.328 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.077 -9.010 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.303 -10.663 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.079 -11.021 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.375 -9.296 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.854 -9.574 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.445 -11.273 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.485 -10.385 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.631 -10.330 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.690 -12.457 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.151 -12.660 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.041 -12.712 -3.452 1.00 0.00 H new ATOM 1534 N SER A 68 7.390 -12.166 -0.765 1.00 0.00 N ATOM 1535 CA SER A 68 7.122 -13.519 -0.292 1.00 0.00 C ATOM 1536 C SER A 68 5.623 -13.826 -0.270 1.00 0.00 C ATOM 1537 O SER A 68 5.194 -14.821 0.316 1.00 0.00 O ATOM 1538 CB SER A 68 7.709 -13.684 1.107 1.00 0.00 C ATOM 1539 OG SER A 68 8.179 -12.437 1.597 1.00 0.00 O ATOM 0 H SER A 68 7.539 -11.484 -0.021 1.00 0.00 H new ATOM 0 HA SER A 68 7.589 -14.222 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.952 -14.085 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.527 -14.404 1.082 1.00 0.00 H new ATOM 0 HG SER A 68 9.148 -12.484 1.734 1.00 0.00 H new ATOM 1545 N GLY A 69 4.836 -12.978 -0.924 1.00 0.00 N ATOM 1546 CA GLY A 69 3.394 -13.150 -0.931 1.00 0.00 C ATOM 1547 C GLY A 69 2.726 -12.453 0.238 1.00 0.00 C ATOM 1548 O GLY A 69 1.560 -12.702 0.541 1.00 0.00 O ATOM 0 H GLY A 69 5.172 -12.172 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.988 -12.759 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.157 -14.213 -0.901 1.00 0.00 H new ATOM 1552 N MET A 70 3.468 -11.576 0.899 1.00 0.00 N ATOM 1553 CA MET A 70 2.951 -10.851 2.052 1.00 0.00 C ATOM 1554 C MET A 70 2.836 -9.366 1.739 1.00 0.00 C ATOM 1555 O MET A 70 3.656 -8.815 1.006 1.00 0.00 O ATOM 1556 CB MET A 70 3.870 -11.049 3.259 1.00 0.00 C ATOM 1557 CG MET A 70 3.536 -12.271 4.095 1.00 0.00 C ATOM 1558 SD MET A 70 4.689 -13.630 3.818 1.00 0.00 S ATOM 1559 CE MET A 70 6.161 -12.991 4.615 1.00 0.00 C ATOM 0 H MET A 70 4.432 -11.349 0.656 1.00 0.00 H new ATOM 0 HA MET A 70 1.961 -11.243 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.899 -11.131 2.910 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.818 -10.163 3.892 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.546 -11.999 5.151 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.525 -12.603 3.861 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.844 -13.813 4.831 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.651 -12.276 3.954 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.885 -12.495 5.546 1.00 0.00 H new ATOM 1569 N ILE A 71 1.816 -8.726 2.290 1.00 0.00 N ATOM 1570 CA ILE A 71 1.638 -7.292 2.126 1.00 0.00 C ATOM 1571 C ILE A 71 2.353 -6.555 3.248 1.00 0.00 C ATOM 1572 O ILE A 71 1.925 -6.605 4.398 1.00 0.00 O ATOM 1573 CB ILE A 71 0.145 -6.899 2.136 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.689 -7.924 1.360 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.043 -5.508 1.550 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.989 -8.286 2.044 1.00 0.00 C ATOM 0 H ILE A 71 1.098 -9.178 2.856 1.00 0.00 H new ATOM 0 HA ILE A 71 2.060 -7.014 1.160 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.200 -6.889 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.907 -7.527 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.098 -8.829 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.101 -5.247 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.517 -4.785 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.320 -5.494 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.528 -9.016 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.778 -8.713 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.600 -7.391 2.162 1.00 0.00 H new ATOM 1588 N LEU A 72 3.453 -5.896 2.923 1.00 0.00 N ATOM 1589 CA LEU A 72 4.223 -5.180 3.926 1.00 0.00 C ATOM 1590 C LEU A 72 4.468 -3.747 3.489 1.00 0.00 C ATOM 1591 O LEU A 72 4.347 -3.416 2.306 1.00 0.00 O ATOM 1592 CB LEU A 72 5.567 -5.874 4.188 1.00 0.00 C ATOM 1593 CG LEU A 72 5.567 -7.399 4.045 1.00 0.00 C ATOM 1594 CD1 LEU A 72 6.928 -7.888 3.579 1.00 0.00 C ATOM 1595 CD2 LEU A 72 5.192 -8.056 5.363 1.00 0.00 C ATOM 0 H LEU A 72 3.831 -5.842 1.977 1.00 0.00 H new ATOM 0 HA LEU A 72 3.643 -5.179 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.307 -5.463 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.894 -5.622 5.197 1.00 0.00 H new ATOM 0 HG LEU A 72 4.824 -7.675 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.911 -8.974 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.164 -7.441 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.687 -7.600 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.197 -9.139 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.913 -7.772 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.197 -7.728 5.663 1.00 0.00 H new ATOM 1607 N CYS A 73 4.803 -2.899 4.448 1.00 0.00 N ATOM 1608 CA CYS A 73 5.132 -1.518 4.159 1.00 0.00 C ATOM 1609 C CYS A 73 6.497 -1.431 3.480 1.00 0.00 C ATOM 1610 O CYS A 73 7.198 -2.436 3.331 1.00 0.00 O ATOM 1611 CB CYS A 73 5.131 -0.698 5.447 1.00 0.00 C ATOM 1612 SG CYS A 73 6.328 -1.275 6.693 1.00 0.00 S ATOM 0 H CYS A 73 4.853 -3.147 5.436 1.00 0.00 H new ATOM 0 HA CYS A 73 4.379 -1.112 3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.348 0.342 5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.131 -0.722 5.880 1.00 0.00 H new ATOM 0 HG CYS A 73 5.757 -1.310 7.860 1.00 0.00 H new ATOM 1617 N ARG A 74 6.879 -0.223 3.094 1.00 0.00 N ATOM 1618 CA ARG A 74 8.152 -0.007 2.422 1.00 0.00 C ATOM 1619 C ARG A 74 9.311 -0.312 3.361 1.00 0.00 C ATOM 1620 O ARG A 74 10.354 -0.809 2.937 1.00 0.00 O ATOM 1621 CB ARG A 74 8.273 1.431 1.908 1.00 0.00 C ATOM 1622 CG ARG A 74 6.966 2.205 1.889 1.00 0.00 C ATOM 1623 CD ARG A 74 7.089 3.513 2.652 1.00 0.00 C ATOM 1624 NE ARG A 74 5.789 4.029 3.065 1.00 0.00 N ATOM 1625 CZ ARG A 74 5.626 5.074 3.875 1.00 0.00 C ATOM 1626 NH1 ARG A 74 6.684 5.719 4.357 1.00 0.00 N ATOM 1627 NH2 ARG A 74 4.404 5.476 4.196 1.00 0.00 N ATOM 0 H ARG A 74 6.326 0.623 3.234 1.00 0.00 H new ATOM 0 HA ARG A 74 8.191 -0.684 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.989 1.967 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.683 1.409 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.676 2.409 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.175 1.598 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.715 3.362 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.590 4.252 2.027 1.00 0.00 H new ATOM 0 HE ARG A 74 4.954 3.561 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.625 5.414 4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.555 6.519 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.591 4.985 3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.277 6.276 4.816 1.00 0.00 H new ATOM 1641 N ASN A 75 9.112 -0.036 4.642 1.00 0.00 N ATOM 1642 CA ASN A 75 10.171 -0.204 5.624 1.00 0.00 C ATOM 1643 C ASN A 75 10.304 -1.661 6.033 1.00 0.00 C ATOM 1644 O ASN A 75 11.411 -2.196 6.096 1.00 0.00 O ATOM 1645 CB ASN A 75 9.904 0.656 6.860 1.00 0.00 C ATOM 1646 CG ASN A 75 11.149 0.846 7.708 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.952 1.746 7.458 1.00 0.00 O ATOM 1648 ND2 ASN A 75 11.323 0.001 8.716 1.00 0.00 N ATOM 0 H ASN A 75 8.229 0.304 5.024 1.00 0.00 H new ATOM 0 HA ASN A 75 11.105 0.118 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.527 1.630 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.124 0.191 7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.144 0.084 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.636 -0.732 8.892 1.00 0.00 H new ATOM 1655 N ASP A 76 9.173 -2.304 6.297 1.00 0.00 N ATOM 1656 CA ASP A 76 9.171 -3.686 6.763 1.00 0.00 C ATOM 1657 C ASP A 76 9.716 -4.625 5.701 1.00 0.00 C ATOM 1658 O ASP A 76 10.413 -5.591 6.017 1.00 0.00 O ATOM 1659 CB ASP A 76 7.766 -4.123 7.173 1.00 0.00 C ATOM 1660 CG ASP A 76 7.595 -4.140 8.676 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.510 -4.650 9.375 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.563 -3.655 9.181 1.00 0.00 O ATOM 0 H ASP A 76 8.246 -1.891 6.197 1.00 0.00 H new ATOM 0 HA ASP A 76 9.822 -3.736 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.033 -3.448 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.564 -5.117 6.774 1.00 0.00 H new ATOM 1667 N TYR A 77 9.409 -4.341 4.440 1.00 0.00 N ATOM 1668 CA TYR A 77 9.926 -5.151 3.346 1.00 0.00 C ATOM 1669 C TYR A 77 11.447 -5.050 3.288 1.00 0.00 C ATOM 1670 O TYR A 77 12.136 -6.051 3.122 1.00 0.00 O ATOM 1671 CB TYR A 77 9.336 -4.735 1.995 1.00 0.00 C ATOM 1672 CG TYR A 77 10.135 -5.279 0.831 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.173 -6.645 0.575 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.880 -4.437 0.015 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.929 -7.155 -0.459 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.632 -4.941 -1.027 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.655 -6.300 -1.256 1.00 0.00 C ATOM 1678 OH TYR A 77 12.420 -6.809 -2.275 1.00 0.00 O ATOM 0 H TYR A 77 8.812 -3.565 4.153 1.00 0.00 H new ATOM 0 HA TYR A 77 9.630 -6.182 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.308 -5.089 1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.303 -3.647 1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.601 -7.318 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.871 -3.373 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.951 -8.219 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.199 -4.274 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 77 12.183 -6.364 -3.115 1.00 0.00 H new ATOM 1688 N ILE A 78 11.965 -3.836 3.422 1.00 0.00 N ATOM 1689 CA ILE A 78 13.403 -3.611 3.389 1.00 0.00 C ATOM 1690 C ILE A 78 14.076 -4.302 4.572 1.00 0.00 C ATOM 1691 O ILE A 78 15.149 -4.892 4.436 1.00 0.00 O ATOM 1692 CB ILE A 78 13.727 -2.098 3.391 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.516 -1.519 1.990 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.152 -1.835 3.864 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.383 -0.012 1.965 1.00 0.00 C ATOM 0 H ILE A 78 11.409 -2.991 3.555 1.00 0.00 H new ATOM 0 HA ILE A 78 13.793 -4.039 2.466 1.00 0.00 H new ATOM 0 HB ILE A 78 13.050 -1.606 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.354 -1.811 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.619 -1.961 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.347 -0.763 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.275 -2.216 4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.855 -2.338 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.236 0.323 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.528 0.288 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.289 0.440 2.368 1.00 0.00 H new ATOM 1707 N ARG A 79 13.425 -4.242 5.727 1.00 0.00 N ATOM 1708 CA ARG A 79 13.920 -4.910 6.922 1.00 0.00 C ATOM 1709 C ARG A 79 13.980 -6.420 6.704 1.00 0.00 C ATOM 1710 O ARG A 79 14.914 -7.090 7.153 1.00 0.00 O ATOM 1711 CB ARG A 79 13.018 -4.591 8.116 1.00 0.00 C ATOM 1712 CG ARG A 79 13.781 -4.259 9.387 1.00 0.00 C ATOM 1713 CD ARG A 79 14.261 -5.519 10.091 1.00 0.00 C ATOM 1714 NE ARG A 79 14.456 -5.311 11.523 1.00 0.00 N ATOM 1715 CZ ARG A 79 15.650 -5.262 12.112 1.00 0.00 C ATOM 1716 NH1 ARG A 79 16.759 -5.386 11.392 1.00 0.00 N ATOM 1717 NH2 ARG A 79 15.735 -5.095 13.425 1.00 0.00 N ATOM 0 H ARG A 79 12.550 -3.735 5.861 1.00 0.00 H new ATOM 0 HA ARG A 79 14.926 -4.546 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.374 -3.750 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.367 -5.444 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.636 -3.627 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.141 -3.687 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.535 -6.318 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.198 -5.849 9.643 1.00 0.00 H new ATOM 0 HE ARG A 79 13.628 -5.196 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.699 -5.520 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.670 -5.348 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.886 -5.004 13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.649 -5.057 13.876 1.00 0.00 H new ATOM 1731 N LEU A 80 12.978 -6.943 6.009 1.00 0.00 N ATOM 1732 CA LEU A 80 12.897 -8.369 5.724 1.00 0.00 C ATOM 1733 C LEU A 80 13.874 -8.771 4.619 1.00 0.00 C ATOM 1734 O LEU A 80 14.664 -9.702 4.787 1.00 0.00 O ATOM 1735 CB LEU A 80 11.467 -8.741 5.319 1.00 0.00 C ATOM 1736 CG LEU A 80 10.736 -9.665 6.293 1.00 0.00 C ATOM 1737 CD1 LEU A 80 10.407 -8.925 7.580 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.469 -10.216 5.655 1.00 0.00 C ATOM 0 H LEU A 80 12.205 -6.396 5.630 1.00 0.00 H new ATOM 0 HA LEU A 80 13.170 -8.911 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.888 -7.825 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.496 -9.220 4.340 1.00 0.00 H new ATOM 0 HG LEU A 80 11.391 -10.502 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.887 -9.597 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.329 -8.577 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.769 -8.070 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.961 -10.872 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.809 -9.391 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.728 -10.780 4.759 1.00 0.00 H new ATOM 1750 N PHE A 81 13.815 -8.076 3.491 1.00 0.00 N ATOM 1751 CA PHE A 81 14.662 -8.401 2.347 1.00 0.00 C ATOM 1752 C PHE A 81 15.434 -7.177 1.866 1.00 0.00 C ATOM 1753 O PHE A 81 16.615 -7.013 2.173 1.00 0.00 O ATOM 1754 CB PHE A 81 13.820 -8.952 1.190 1.00 0.00 C ATOM 1755 CG PHE A 81 12.965 -10.122 1.565 1.00 0.00 C ATOM 1756 CD1 PHE A 81 13.463 -11.409 1.482 1.00 0.00 C ATOM 1757 CD2 PHE A 81 11.662 -9.935 1.996 1.00 0.00 C ATOM 1758 CE1 PHE A 81 12.679 -12.491 1.825 1.00 0.00 C ATOM 1759 CE2 PHE A 81 10.874 -11.013 2.340 1.00 0.00 C ATOM 1760 CZ PHE A 81 11.382 -12.293 2.255 1.00 0.00 C ATOM 0 H PHE A 81 13.190 -7.284 3.342 1.00 0.00 H new ATOM 0 HA PHE A 81 15.372 -9.160 2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.181 -8.156 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.485 -9.246 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 81 14.477 -11.569 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.259 -8.935 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 81 13.079 -13.492 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.860 -10.855 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.766 -13.138 2.524 1.00 0.00 H new ATOM 1770 N GLY A 82 14.756 -6.328 1.109 1.00 0.00 N ATOM 1771 CA GLY A 82 15.404 -5.188 0.500 1.00 0.00 C ATOM 1772 C GLY A 82 15.687 -5.442 -0.965 1.00 0.00 C ATOM 1773 O GLY A 82 14.997 -6.299 -1.562 1.00 0.00 O ATOM 1774 OXT GLY A 82 16.607 -4.809 -1.523 1.00 0.00 O ATOM 0 H GLY A 82 13.760 -6.411 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.771 -4.307 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.336 -4.974 1.022 1.00 0.00 H new