USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=28 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 50 CYS SG : rot 144:sc= 2.34 USER MOD Set 1.2: A 53 CYS SG : rot 48:sc= 0.571 USER MOD Set 1.3: A 73 CYS SG : rot -139:sc= -4.39! USER MOD Set 2.1: A 49 LYS NZ :NH3+ 137:sc= 0.679 (180deg=0) USER MOD Set 2.2: A 54 GLN : amide:sc= -2.85! K(o=-2.2!,f=-3) USER MOD Set 3.1: A 23 CYS SG : rot 93:sc= 1.08 USER MOD Set 3.2: A 26 CYS SG : rot 110:sc= 0.85 USER MOD Set 3.3: A 44 HIS : no HE2:sc= -3.97! C(o=-2.2!,f=-2.1!) USER MOD Set 3.4: A 47 CYS SG : rot 46:sc= -0.128! USER MOD Set 4.1: A 37 TYR OH : rot 76:sc= 0.097 USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 39 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 5.2: A 66 THR OG1 : rot 31:sc= 1.29 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 41 SER OG : rot 110:sc= 0.904 USER MOD Single : A 45 SER OG : rot 180:sc= 0.168 USER MOD Single : A 51 SER OG : rot 180:sc= -0.304 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.000946 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00196 USER MOD Single : A 64 SER OG : rot 160:sc= 0.0778 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 121:sc= 0.881 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 77 TYR OH : rot -108:sc= 0.724 USER MOD Single : A 664 SER OG : rot 92:sc= 0.14 USER MOD Single : A 665 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ -116:sc= 1.94 (180deg=0.789) USER MOD Single : A 668 MET CE :methyl -164:sc= -3.08! (180deg=-3.96!) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot -161:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 12.542 -1.185 -5.851 1.00 0.00 N ATOM 327 CA LEU A 663 11.606 -2.267 -5.590 1.00 0.00 C ATOM 328 C LEU A 663 10.284 -2.000 -6.296 1.00 0.00 C ATOM 329 O LEU A 663 9.236 -2.508 -5.905 1.00 0.00 O ATOM 330 CB LEU A 663 11.389 -2.428 -4.084 1.00 0.00 C ATOM 331 CG LEU A 663 12.665 -2.460 -3.244 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.373 -2.033 -1.815 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.285 -3.849 -3.275 1.00 0.00 C ATOM 0 HA LEU A 663 12.024 -3.195 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.762 -1.608 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.834 -3.350 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 663 13.379 -1.756 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.293 -2.062 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 663 11.973 -1.019 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.643 -2.712 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.193 -3.856 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.577 -4.573 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 663 13.530 -4.115 -4.303 1.00 0.00 H new ATOM 345 N SER A 664 10.357 -1.212 -7.358 1.00 0.00 N ATOM 346 CA SER A 664 9.190 -0.829 -8.134 1.00 0.00 C ATOM 347 C SER A 664 8.477 -2.045 -8.727 1.00 0.00 C ATOM 348 O SER A 664 7.269 -2.014 -8.962 1.00 0.00 O ATOM 349 CB SER A 664 9.629 0.129 -9.237 1.00 0.00 C ATOM 350 OG SER A 664 10.907 0.669 -8.935 1.00 0.00 O ATOM 0 H SER A 664 11.232 -0.819 -7.706 1.00 0.00 H new ATOM 0 HA SER A 664 8.476 -0.336 -7.475 1.00 0.00 H new ATOM 0 HB2 SER A 664 9.664 -0.395 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 664 8.901 0.934 -9.341 1.00 0.00 H new ATOM 0 HG SER A 664 11.602 0.109 -9.339 1.00 0.00 H new ATOM 356 N GLN A 665 9.226 -3.117 -8.956 1.00 0.00 N ATOM 357 CA GLN A 665 8.654 -4.340 -9.507 1.00 0.00 C ATOM 358 C GLN A 665 8.019 -5.189 -8.405 1.00 0.00 C ATOM 359 O GLN A 665 7.189 -6.059 -8.676 1.00 0.00 O ATOM 360 CB GLN A 665 9.727 -5.148 -10.241 1.00 0.00 C ATOM 361 CG GLN A 665 9.700 -4.961 -11.749 1.00 0.00 C ATOM 362 CD GLN A 665 9.861 -3.510 -12.167 1.00 0.00 C ATOM 363 OE1 GLN A 665 10.745 -2.804 -11.684 1.00 0.00 O ATOM 364 NE2 GLN A 665 9.000 -3.053 -13.060 1.00 0.00 N ATOM 0 H GLN A 665 10.228 -3.165 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 665 7.876 -4.060 -10.217 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.709 -4.860 -9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 665 9.595 -6.205 -10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.497 -5.554 -12.198 1.00 0.00 H new ATOM 0 HG3 GLN A 665 8.758 -5.344 -12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 665 8.281 -3.670 -13.437 1.00 0.00 H new ATOM 0 HE22 GLN A 665 9.055 -2.083 -13.372 1.00 0.00 H new ATOM 373 N TYR A 666 8.408 -4.928 -7.161 1.00 0.00 N ATOM 374 CA TYR A 666 7.871 -5.657 -6.016 1.00 0.00 C ATOM 375 C TYR A 666 6.645 -4.944 -5.470 1.00 0.00 C ATOM 376 O TYR A 666 5.825 -5.536 -4.766 1.00 0.00 O ATOM 377 CB TYR A 666 8.924 -5.787 -4.911 1.00 0.00 C ATOM 378 CG TYR A 666 9.986 -6.820 -5.203 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.739 -8.173 -5.004 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.236 -6.442 -5.680 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.707 -9.119 -5.278 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.208 -7.384 -5.953 1.00 0.00 C ATOM 383 CZ TYR A 666 11.938 -8.718 -5.750 1.00 0.00 C ATOM 384 OH TYR A 666 12.902 -9.660 -6.031 1.00 0.00 O ATOM 0 H TYR A 666 9.096 -4.215 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 666 7.590 -6.656 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.402 -4.819 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.427 -6.044 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.776 -8.489 -4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.450 -5.396 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.500 -10.168 -5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.174 -7.076 -6.324 1.00 0.00 H new ATOM 0 HH TYR A 666 13.711 -9.213 -6.356 1.00 0.00 H new ATOM 394 N LYS A 667 6.537 -3.663 -5.792 1.00 0.00 N ATOM 395 CA LYS A 667 5.404 -2.863 -5.364 1.00 0.00 C ATOM 396 C LYS A 667 4.198 -3.150 -6.240 1.00 0.00 C ATOM 397 O LYS A 667 4.323 -3.337 -7.454 1.00 0.00 O ATOM 398 CB LYS A 667 5.755 -1.367 -5.402 1.00 0.00 C ATOM 399 CG LYS A 667 4.921 -0.536 -6.372 1.00 0.00 C ATOM 400 CD LYS A 667 5.795 0.345 -7.247 1.00 0.00 C ATOM 401 CE LYS A 667 5.058 0.792 -8.500 1.00 0.00 C ATOM 402 NZ LYS A 667 5.121 -0.229 -9.582 1.00 0.00 N ATOM 0 H LYS A 667 7.224 -3.156 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 667 5.158 -3.130 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 667 5.637 -0.955 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.807 -1.262 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 667 4.326 -1.198 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 667 4.222 0.085 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 667 6.115 1.219 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.696 -0.200 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 667 4.016 0.995 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 667 5.488 1.727 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 5.644 0.157 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 5.606 -1.079 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 4.156 -0.480 -9.879 1.00 0.00 H new ATOM 416 N MET A 668 3.039 -3.193 -5.616 1.00 0.00 N ATOM 417 CA MET A 668 1.794 -3.359 -6.339 1.00 0.00 C ATOM 418 C MET A 668 1.250 -1.995 -6.717 1.00 0.00 C ATOM 419 O MET A 668 1.085 -1.134 -5.852 1.00 0.00 O ATOM 420 CB MET A 668 0.775 -4.105 -5.484 1.00 0.00 C ATOM 421 CG MET A 668 1.216 -5.499 -5.082 1.00 0.00 C ATOM 422 SD MET A 668 0.645 -5.944 -3.430 1.00 0.00 S ATOM 423 CE MET A 668 0.842 -4.382 -2.570 1.00 0.00 C ATOM 0 H MET A 668 2.933 -3.115 -4.605 1.00 0.00 H new ATOM 0 HA MET A 668 1.981 -3.943 -7.240 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.575 -3.524 -4.584 1.00 0.00 H new ATOM 0 HB3 MET A 668 -0.164 -4.175 -6.033 1.00 0.00 H new ATOM 0 HG2 MET A 668 0.834 -6.221 -5.803 1.00 0.00 H new ATOM 0 HG3 MET A 668 2.304 -5.558 -5.117 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.807 -4.552 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.802 -3.939 -2.836 1.00 0.00 H new ATOM 0 HE3 MET A 668 0.037 -3.705 -2.857 1.00 0.00 H new ATOM 433 N ASP A 669 1.005 -1.785 -7.999 1.00 0.00 N ATOM 434 CA ASP A 669 0.481 -0.510 -8.462 1.00 0.00 C ATOM 435 C ASP A 669 -0.972 -0.361 -8.036 1.00 0.00 C ATOM 436 O ASP A 669 -1.855 -1.055 -8.542 1.00 0.00 O ATOM 437 CB ASP A 669 0.620 -0.376 -9.978 1.00 0.00 C ATOM 438 CG ASP A 669 1.793 0.506 -10.362 1.00 0.00 C ATOM 439 OD1 ASP A 669 1.734 1.725 -10.098 1.00 0.00 O ATOM 440 OD2 ASP A 669 2.787 -0.017 -10.912 1.00 0.00 O ATOM 0 H ASP A 669 1.159 -2.475 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 669 1.064 0.290 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.749 -1.364 -10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.298 0.041 -10.391 1.00 0.00 H new ATOM 445 N VAL A 670 -1.213 0.563 -7.115 1.00 0.00 N ATOM 446 CA VAL A 670 -2.507 0.672 -6.466 1.00 0.00 C ATOM 447 C VAL A 670 -3.483 1.478 -7.306 1.00 0.00 C ATOM 448 O VAL A 670 -3.364 2.699 -7.427 1.00 0.00 O ATOM 449 CB VAL A 670 -2.400 1.320 -5.067 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.682 1.093 -4.278 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.197 0.777 -4.306 1.00 0.00 C ATOM 0 H VAL A 670 -0.525 1.248 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.878 -0.347 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.259 2.393 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.591 1.555 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.522 1.538 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.853 0.023 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.144 1.249 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.299 -0.301 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.286 0.995 -4.863 1.00 0.00 H new ATOM 461 N THR A 671 -4.442 0.778 -7.888 1.00 0.00 N ATOM 462 CA THR A 671 -5.513 1.421 -8.621 1.00 0.00 C ATOM 463 C THR A 671 -6.671 1.718 -7.671 1.00 0.00 C ATOM 464 O THR A 671 -7.301 0.802 -7.142 1.00 0.00 O ATOM 465 CB THR A 671 -5.996 0.539 -9.791 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.884 -0.196 -10.327 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.626 1.388 -10.884 1.00 0.00 C ATOM 0 H THR A 671 -4.498 -0.240 -7.865 1.00 0.00 H new ATOM 0 HA THR A 671 -5.136 2.354 -9.041 1.00 0.00 H new ATOM 0 HB THR A 671 -6.750 -0.154 -9.417 1.00 0.00 H new ATOM 0 HG1 THR A 671 -5.190 -0.758 -11.069 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.959 0.744 -11.698 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.480 1.930 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.891 2.099 -11.261 1.00 0.00 H new ATOM 475 N VAL A 672 -6.925 2.992 -7.424 1.00 0.00 N ATOM 476 CA VAL A 672 -7.961 3.383 -6.486 1.00 0.00 C ATOM 477 C VAL A 672 -9.286 3.578 -7.210 1.00 0.00 C ATOM 478 O VAL A 672 -9.425 4.485 -8.032 1.00 0.00 O ATOM 479 CB VAL A 672 -7.586 4.679 -5.737 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.491 4.887 -4.534 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.125 4.650 -5.305 1.00 0.00 C ATOM 0 H VAL A 672 -6.429 3.770 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.060 2.581 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 672 -7.725 5.516 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.209 5.806 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -9.527 4.960 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.388 4.044 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -5.883 5.573 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -5.958 3.801 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -5.487 4.555 -6.184 1.00 0.00 H new ATOM 491 N ILE A 673 -10.248 2.716 -6.914 1.00 0.00 N ATOM 492 CA ILE A 673 -11.556 2.778 -7.547 1.00 0.00 C ATOM 493 C ILE A 673 -12.453 3.768 -6.816 1.00 0.00 C ATOM 494 O ILE A 673 -12.641 3.669 -5.600 1.00 0.00 O ATOM 495 CB ILE A 673 -12.233 1.392 -7.582 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.469 0.449 -8.518 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.685 1.517 -8.022 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.631 -0.582 -7.791 1.00 0.00 C ATOM 0 H ILE A 673 -10.145 1.961 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.408 3.113 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.214 0.973 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.182 -0.064 -9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.821 1.040 -9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.146 0.529 -8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.224 2.156 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.727 1.956 -9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.120 -1.213 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.894 -0.077 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.276 -1.199 -7.165 1.00 0.00 H new ATOM 510 N ASP A 674 -12.997 4.721 -7.556 1.00 0.00 N ATOM 511 CA ASP A 674 -13.851 5.737 -6.973 1.00 0.00 C ATOM 512 C ASP A 674 -15.316 5.299 -7.034 1.00 0.00 C ATOM 513 O ASP A 674 -15.877 5.055 -8.107 1.00 0.00 O ATOM 514 CB ASP A 674 -13.599 7.106 -7.644 1.00 0.00 C ATOM 515 CG ASP A 674 -14.563 7.461 -8.760 1.00 0.00 C ATOM 516 OD1 ASP A 674 -14.503 6.827 -9.837 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.362 8.406 -8.576 1.00 0.00 O ATOM 0 H ASP A 674 -12.861 4.810 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.604 5.859 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.649 7.882 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -12.585 7.117 -8.043 1.00 0.00 H new ATOM 522 N THR A 675 -15.916 5.151 -5.861 1.00 0.00 N ATOM 523 CA THR A 675 -17.270 4.631 -5.745 1.00 0.00 C ATOM 524 C THR A 675 -18.313 5.732 -5.890 1.00 0.00 C ATOM 525 O THR A 675 -19.003 6.087 -4.933 1.00 0.00 O ATOM 526 CB THR A 675 -17.463 3.930 -4.393 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.329 4.191 -3.556 1.00 0.00 O ATOM 528 CG2 THR A 675 -17.633 2.431 -4.578 1.00 0.00 C ATOM 0 H THR A 675 -15.481 5.386 -4.969 1.00 0.00 H new ATOM 0 HA THR A 675 -17.408 3.915 -6.555 1.00 0.00 H new ATOM 0 HB THR A 675 -18.366 4.320 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.291 3.524 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 675 -17.768 1.957 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.507 2.238 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 675 -16.746 2.021 -5.061 1.00 0.00 H new ATOM 806 N TRP A 20 -20.985 -9.604 -3.159 1.00 0.00 N ATOM 807 CA TRP A 20 -20.563 -8.476 -3.999 1.00 0.00 C ATOM 808 C TRP A 20 -19.054 -8.495 -4.222 1.00 0.00 C ATOM 809 O TRP A 20 -18.544 -9.265 -5.038 1.00 0.00 O ATOM 810 CB TRP A 20 -21.010 -7.110 -3.429 1.00 0.00 C ATOM 811 CG TRP A 20 -21.925 -7.177 -2.241 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.212 -7.629 -2.218 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.625 -6.752 -0.908 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.724 -7.525 -0.948 1.00 0.00 N ATOM 815 CE2 TRP A 20 -22.771 -6.987 -0.126 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.496 -6.197 -0.300 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -22.817 -6.690 1.233 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -20.545 -5.901 1.047 1.00 0.00 C ATOM 819 CH2 TRP A 20 -21.699 -6.146 1.802 1.00 0.00 C ATOM 0 HA TRP A 20 -21.062 -8.600 -4.960 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -20.122 -6.543 -3.151 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -21.510 -6.551 -4.220 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.749 -8.012 -3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.663 -7.804 -0.663 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.602 -6.003 -0.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -23.705 -6.882 1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -19.678 -5.473 1.528 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -21.706 -5.901 2.854 1.00 0.00 H new ATOM 830 N LYS A 21 -18.345 -7.656 -3.488 1.00 0.00 N ATOM 831 CA LYS A 21 -16.894 -7.616 -3.547 1.00 0.00 C ATOM 832 C LYS A 21 -16.314 -8.195 -2.263 1.00 0.00 C ATOM 833 O LYS A 21 -16.209 -7.498 -1.250 1.00 0.00 O ATOM 834 CB LYS A 21 -16.395 -6.179 -3.751 1.00 0.00 C ATOM 835 CG LYS A 21 -17.174 -5.402 -4.802 1.00 0.00 C ATOM 836 CD LYS A 21 -16.462 -5.408 -6.147 1.00 0.00 C ATOM 837 CE LYS A 21 -17.433 -5.191 -7.297 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.935 -6.475 -7.852 1.00 0.00 N ATOM 0 H LYS A 21 -18.756 -6.986 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.563 -8.214 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.452 -5.646 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.344 -6.207 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.167 -5.836 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.311 -4.374 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.702 -4.627 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.945 -6.358 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.275 -4.591 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.940 -4.623 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.594 -6.282 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.134 -7.037 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.429 -7.006 -7.106 1.00 0.00 H new ATOM 852 N ARG A 22 -15.981 -9.481 -2.295 1.00 0.00 N ATOM 853 CA ARG A 22 -15.366 -10.135 -1.150 1.00 0.00 C ATOM 854 C ARG A 22 -13.929 -9.665 -0.996 1.00 0.00 C ATOM 855 O ARG A 22 -13.179 -9.606 -1.972 1.00 0.00 O ATOM 856 CB ARG A 22 -15.413 -11.657 -1.298 1.00 0.00 C ATOM 857 CG ARG A 22 -16.253 -12.344 -0.230 1.00 0.00 C ATOM 858 CD ARG A 22 -15.407 -13.183 0.723 1.00 0.00 C ATOM 859 NE ARG A 22 -13.979 -12.874 0.634 1.00 0.00 N ATOM 860 CZ ARG A 22 -13.045 -13.762 0.297 1.00 0.00 C ATOM 861 NH1 ARG A 22 -13.374 -15.029 0.085 1.00 0.00 N ATOM 862 NH2 ARG A 22 -11.777 -13.387 0.208 1.00 0.00 N ATOM 0 H ARG A 22 -16.127 -10.089 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.928 -9.865 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.813 -11.907 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.397 -12.050 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.799 -11.592 0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.996 -12.982 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.747 -13.017 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.560 -14.240 0.503 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.681 -11.921 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.345 -15.326 0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.656 -15.706 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.517 -12.419 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.061 -14.066 -0.050 1.00 0.00 H new ATOM 876 N CYS A 23 -13.553 -9.337 0.228 1.00 0.00 N ATOM 877 CA CYS A 23 -12.249 -8.775 0.494 1.00 0.00 C ATOM 878 C CYS A 23 -11.228 -9.877 0.782 1.00 0.00 C ATOM 879 O CYS A 23 -11.587 -10.966 1.228 1.00 0.00 O ATOM 880 CB CYS A 23 -12.368 -7.763 1.633 1.00 0.00 C ATOM 881 SG CYS A 23 -12.163 -8.420 3.317 1.00 0.00 S ATOM 0 H CYS A 23 -14.139 -9.453 1.055 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.881 -8.249 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.623 -6.983 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.347 -7.287 1.568 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.921 -8.299 3.682 1.00 0.00 H new ATOM 886 N ALA A 24 -9.959 -9.586 0.522 1.00 0.00 N ATOM 887 CA ALA A 24 -8.923 -10.615 0.486 1.00 0.00 C ATOM 888 C ALA A 24 -8.367 -10.961 1.868 1.00 0.00 C ATOM 889 O ALA A 24 -8.449 -12.113 2.298 1.00 0.00 O ATOM 890 CB ALA A 24 -7.794 -10.179 -0.433 1.00 0.00 C ATOM 0 H ALA A 24 -9.620 -8.643 0.332 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.393 -11.521 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.025 -10.951 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.183 -10.025 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.363 -9.248 -0.064 1.00 0.00 H new ATOM 896 N GLY A 25 -7.809 -9.968 2.553 1.00 0.00 N ATOM 897 CA GLY A 25 -7.095 -10.216 3.797 1.00 0.00 C ATOM 898 C GLY A 25 -7.979 -10.778 4.890 1.00 0.00 C ATOM 899 O GLY A 25 -7.780 -11.912 5.336 1.00 0.00 O ATOM 0 H GLY A 25 -7.838 -8.989 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.277 -10.911 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.648 -9.284 4.144 1.00 0.00 H new ATOM 903 N CYS A 26 -8.942 -9.982 5.332 1.00 0.00 N ATOM 904 CA CYS A 26 -9.895 -10.422 6.337 1.00 0.00 C ATOM 905 C CYS A 26 -10.726 -11.596 5.822 1.00 0.00 C ATOM 906 O CYS A 26 -11.030 -12.532 6.566 1.00 0.00 O ATOM 907 CB CYS A 26 -10.807 -9.260 6.730 1.00 0.00 C ATOM 908 SG CYS A 26 -10.100 -7.613 6.390 1.00 0.00 S ATOM 0 H CYS A 26 -9.083 -9.025 5.008 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.343 -10.757 7.215 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.752 -9.356 6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.034 -9.334 7.793 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.752 -7.054 5.414 1.00 0.00 H new ATOM 913 N GLY A 27 -11.082 -11.542 4.546 1.00 0.00 N ATOM 914 CA GLY A 27 -11.871 -12.598 3.949 1.00 0.00 C ATOM 915 C GLY A 27 -13.350 -12.369 4.153 1.00 0.00 C ATOM 916 O GLY A 27 -14.131 -13.317 4.265 1.00 0.00 O ATOM 0 H GLY A 27 -10.837 -10.782 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.655 -12.656 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.587 -13.556 4.384 1.00 0.00 H new ATOM 920 N GLY A 28 -13.734 -11.107 4.210 1.00 0.00 N ATOM 921 CA GLY A 28 -15.119 -10.765 4.406 1.00 0.00 C ATOM 922 C GLY A 28 -15.679 -10.059 3.198 1.00 0.00 C ATOM 923 O GLY A 28 -15.284 -10.345 2.071 1.00 0.00 O ATOM 0 H GLY A 28 -13.105 -10.309 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.696 -11.669 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.218 -10.126 5.283 1.00 0.00 H new ATOM 927 N LYS A 29 -16.595 -9.142 3.422 1.00 0.00 N ATOM 928 CA LYS A 29 -17.157 -8.355 2.342 1.00 0.00 C ATOM 929 C LYS A 29 -16.737 -6.907 2.496 1.00 0.00 C ATOM 930 O LYS A 29 -16.811 -6.355 3.597 1.00 0.00 O ATOM 931 CB LYS A 29 -18.680 -8.462 2.345 1.00 0.00 C ATOM 932 CG LYS A 29 -19.205 -9.648 1.556 1.00 0.00 C ATOM 933 CD LYS A 29 -19.375 -10.873 2.434 1.00 0.00 C ATOM 934 CE LYS A 29 -20.766 -10.936 3.043 1.00 0.00 C ATOM 935 NZ LYS A 29 -21.093 -12.298 3.539 1.00 0.00 N ATOM 0 H LYS A 29 -16.969 -8.921 4.345 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.785 -8.738 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.029 -8.538 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.102 -7.546 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -20.162 -9.389 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.518 -9.876 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -19.194 -11.772 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.629 -10.858 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -20.835 -10.224 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.502 -10.634 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.050 -12.299 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.053 -12.974 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.406 -12.576 4.268 1.00 0.00 H new ATOM 949 N ILE A 30 -16.277 -6.290 1.416 1.00 0.00 N ATOM 950 CA ILE A 30 -15.898 -4.892 1.483 1.00 0.00 C ATOM 951 C ILE A 30 -17.140 -4.045 1.695 1.00 0.00 C ATOM 952 O ILE A 30 -17.941 -3.839 0.780 1.00 0.00 O ATOM 953 CB ILE A 30 -15.157 -4.421 0.209 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.821 -5.148 0.072 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.932 -2.913 0.234 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.482 -5.520 -1.353 1.00 0.00 C ATOM 0 H ILE A 30 -16.160 -6.727 0.502 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.209 -4.775 2.320 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.781 -4.660 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.029 -4.515 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.844 -6.052 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.409 -2.608 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.894 -2.403 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.332 -2.649 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.521 -6.033 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.254 -6.178 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.426 -4.617 -1.961 1.00 0.00 H new ATOM 968 N ALA A 31 -17.292 -3.550 2.907 1.00 0.00 N ATOM 969 CA ALA A 31 -18.416 -2.703 3.240 1.00 0.00 C ATOM 970 C ALA A 31 -17.943 -1.279 3.414 1.00 0.00 C ATOM 971 O ALA A 31 -18.669 -0.420 3.914 1.00 0.00 O ATOM 972 CB ALA A 31 -19.119 -3.207 4.488 1.00 0.00 C ATOM 0 H ALA A 31 -16.648 -3.721 3.679 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.139 -2.732 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.961 -2.555 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.481 -4.221 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.420 -3.208 5.324 1.00 0.00 H new ATOM 978 N ASP A 32 -16.710 -1.042 2.999 1.00 0.00 N ATOM 979 CA ASP A 32 -16.137 0.291 3.040 1.00 0.00 C ATOM 980 C ASP A 32 -16.504 1.054 1.777 1.00 0.00 C ATOM 981 O ASP A 32 -17.244 0.544 0.930 1.00 0.00 O ATOM 982 CB ASP A 32 -14.620 0.221 3.196 1.00 0.00 C ATOM 983 CG ASP A 32 -14.110 1.207 4.222 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.061 2.415 3.914 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.768 0.774 5.341 1.00 0.00 O ATOM 0 H ASP A 32 -16.086 -1.759 2.629 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.545 0.818 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.332 -0.789 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.147 0.421 2.235 1.00 0.00 H new ATOM 990 N ARG A 33 -15.995 2.264 1.643 1.00 0.00 N ATOM 991 CA ARG A 33 -16.329 3.095 0.501 1.00 0.00 C ATOM 992 C ARG A 33 -15.419 2.791 -0.684 1.00 0.00 C ATOM 993 O ARG A 33 -15.878 2.317 -1.723 1.00 0.00 O ATOM 994 CB ARG A 33 -16.238 4.576 0.872 1.00 0.00 C ATOM 995 CG ARG A 33 -16.565 5.515 -0.280 1.00 0.00 C ATOM 996 CD ARG A 33 -17.978 6.061 -0.177 1.00 0.00 C ATOM 997 NE ARG A 33 -18.711 5.934 -1.438 1.00 0.00 N ATOM 998 CZ ARG A 33 -20.038 5.837 -1.528 1.00 0.00 C ATOM 999 NH1 ARG A 33 -20.790 5.848 -0.434 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -20.614 5.734 -2.719 1.00 0.00 N ATOM 0 H ARG A 33 -15.351 2.693 2.308 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.354 2.868 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.920 4.777 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.231 4.791 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.855 6.342 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.448 4.985 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.515 5.530 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.940 7.110 0.116 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.172 5.919 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.353 5.931 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.804 5.773 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.042 5.729 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.629 5.660 -2.790 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.133 3.049 -0.522 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.194 2.939 -1.626 1.00 0.00 C ATOM 1016 C PHE A 34 -12.472 1.598 -1.607 1.00 0.00 C ATOM 1017 O PHE A 34 -11.867 1.221 -0.601 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.182 4.081 -1.563 1.00 0.00 C ATOM 1019 CG PHE A 34 -12.535 5.250 -2.442 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -13.785 5.846 -2.362 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -11.618 5.749 -3.350 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.110 6.915 -3.173 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -11.939 6.816 -4.163 1.00 0.00 C ATOM 1024 CZ PHE A 34 -13.186 7.400 -4.074 1.00 0.00 C ATOM 0 H PHE A 34 -13.715 3.336 0.363 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.756 3.004 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.099 4.425 -0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.202 3.703 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.512 5.470 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.639 5.298 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.087 7.371 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.215 7.194 -4.869 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.438 8.236 -4.709 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.544 0.880 -2.719 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.837 -0.386 -2.849 1.00 0.00 C ATOM 1036 C LEU A 35 -10.490 -0.163 -3.522 1.00 0.00 C ATOM 1037 O LEU A 35 -10.355 0.683 -4.408 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.659 -1.418 -3.630 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.662 -0.857 -4.640 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.637 -1.678 -5.921 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.060 -0.849 -4.045 1.00 0.00 C ATOM 0 H LEU A 35 -13.083 1.151 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.678 -0.785 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.970 -2.075 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.202 -2.036 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.380 0.168 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.356 -1.267 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.638 -1.644 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.900 -2.712 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.764 -0.447 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.350 -1.867 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.071 -0.227 -3.150 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.498 -0.920 -3.089 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.140 -0.750 -3.568 1.00 0.00 C ATOM 1055 C LEU A 36 -7.721 -1.913 -4.454 1.00 0.00 C ATOM 1056 O LEU A 36 -8.066 -3.066 -4.189 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.175 -0.639 -2.383 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.196 0.690 -1.626 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.253 1.863 -2.592 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -8.361 0.738 -0.647 1.00 0.00 C ATOM 0 H LEU A 36 -9.610 -1.664 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.105 0.166 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.402 -1.440 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.162 -0.812 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.271 0.767 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.267 2.797 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.377 1.843 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.156 1.791 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.355 1.692 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.299 0.630 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.265 -0.074 0.073 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.990 -1.597 -5.506 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.404 -2.603 -6.372 1.00 0.00 C ATOM 1074 C TYR A 37 -4.921 -2.727 -6.082 1.00 0.00 C ATOM 1075 O TYR A 37 -4.131 -1.882 -6.499 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.597 -2.220 -7.836 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.499 -3.148 -8.605 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.623 -4.485 -8.252 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.223 -2.683 -9.691 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.447 -5.332 -8.961 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -9.049 -3.520 -10.406 1.00 0.00 C ATOM 1082 CZ TYR A 37 -9.160 -4.846 -10.038 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.989 -5.686 -10.747 1.00 0.00 O ATOM 0 H TYR A 37 -6.786 -0.637 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.899 -3.556 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.007 -1.211 -7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.623 -2.192 -8.324 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.066 -4.867 -7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.138 -1.646 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.534 -6.370 -8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.607 -3.142 -11.250 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.811 -5.841 -10.237 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.547 -3.766 -5.360 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.150 -4.000 -5.044 1.00 0.00 C ATOM 1095 C ALA A 38 -2.570 -5.083 -5.943 1.00 0.00 C ATOM 1096 O ALA A 38 -2.165 -4.816 -7.073 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.994 -4.380 -3.579 1.00 0.00 C ATOM 0 H ALA A 38 -5.190 -4.461 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.598 -3.077 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.941 -4.552 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.369 -3.571 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.560 -5.289 -3.377 1.00 0.00 H new ATOM 1103 N MET A 39 -2.539 -6.307 -5.434 1.00 0.00 N ATOM 1104 CA MET A 39 -2.015 -7.439 -6.183 1.00 0.00 C ATOM 1105 C MET A 39 -2.879 -7.718 -7.411 1.00 0.00 C ATOM 1106 O MET A 39 -2.369 -7.812 -8.528 1.00 0.00 O ATOM 1107 CB MET A 39 -1.970 -8.675 -5.282 1.00 0.00 C ATOM 1108 CG MET A 39 -0.629 -8.899 -4.603 1.00 0.00 C ATOM 1109 SD MET A 39 -0.627 -10.359 -3.547 1.00 0.00 S ATOM 1110 CE MET A 39 0.029 -9.670 -2.029 1.00 0.00 C ATOM 0 H MET A 39 -2.873 -6.541 -4.499 1.00 0.00 H new ATOM 0 HA MET A 39 -1.006 -7.200 -6.520 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.741 -8.582 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.215 -9.555 -5.877 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.146 -9.002 -5.362 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.376 -8.022 -4.006 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.226 -10.474 -1.320 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.957 -9.138 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.696 -8.978 -1.601 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.188 -7.806 -7.188 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.157 -8.156 -8.231 1.00 0.00 C ATOM 1122 C ASP A 40 -6.526 -8.341 -7.598 1.00 0.00 C ATOM 1123 O ASP A 40 -7.551 -8.369 -8.274 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.759 -9.451 -8.951 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.070 -9.418 -10.437 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -6.260 -9.493 -10.809 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -4.119 -9.326 -11.241 1.00 0.00 O ATOM 0 H ASP A 40 -4.611 -7.636 -6.276 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.179 -7.348 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.692 -9.626 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.282 -10.291 -8.494 1.00 0.00 H new ATOM 1132 N SER A 41 -6.529 -8.459 -6.280 1.00 0.00 N ATOM 1133 CA SER A 41 -7.744 -8.699 -5.527 1.00 0.00 C ATOM 1134 C SER A 41 -8.429 -7.380 -5.191 1.00 0.00 C ATOM 1135 O SER A 41 -7.867 -6.310 -5.430 1.00 0.00 O ATOM 1136 CB SER A 41 -7.381 -9.462 -4.256 1.00 0.00 C ATOM 1137 OG SER A 41 -5.974 -9.662 -4.189 1.00 0.00 O ATOM 0 H SER A 41 -5.689 -8.391 -5.705 1.00 0.00 H new ATOM 0 HA SER A 41 -8.441 -9.290 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.719 -8.907 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.894 -10.424 -4.241 1.00 0.00 H new ATOM 0 HG SER A 41 -5.599 -9.109 -3.472 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.642 -7.456 -4.664 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.348 -6.266 -4.215 1.00 0.00 C ATOM 1145 C TYR A 42 -10.075 -6.040 -2.738 1.00 0.00 C ATOM 1146 O TYR A 42 -10.418 -6.875 -1.898 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.854 -6.394 -4.465 1.00 0.00 C ATOM 1148 CG TYR A 42 -12.231 -6.338 -5.927 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.781 -5.307 -6.739 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -13.035 -7.319 -6.491 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.123 -5.253 -8.075 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -13.380 -7.272 -7.828 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.920 -6.237 -8.615 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.259 -6.183 -9.947 1.00 0.00 O ATOM 0 H TYR A 42 -10.157 -8.327 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.986 -5.410 -4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.205 -7.336 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.371 -5.595 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.153 -4.535 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.396 -8.130 -5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.767 -4.443 -8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.006 -8.041 -8.255 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.825 -6.951 -10.172 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.427 -4.931 -2.428 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.077 -4.612 -1.053 1.00 0.00 C ATOM 1166 C TRP A 43 -9.845 -3.391 -0.571 1.00 0.00 C ATOM 1167 O TRP A 43 -10.538 -2.730 -1.339 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.568 -4.342 -0.915 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.697 -5.348 -1.606 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.502 -5.474 -2.948 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.891 -6.358 -0.989 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.644 -6.513 -3.208 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.255 -7.071 -2.022 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.653 -6.735 0.335 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.395 -8.135 -1.773 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -4.798 -7.793 0.582 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.181 -8.485 -0.470 1.00 0.00 C ATOM 0 H TRP A 43 -9.131 -4.234 -3.111 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.344 -5.474 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.349 -3.352 -1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.310 -4.321 0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.957 -4.846 -3.700 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.345 -6.819 -4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.128 -6.210 1.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.913 -8.666 -2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.602 -8.091 1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.523 -9.312 -0.246 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.708 -3.104 0.708 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.233 -1.884 1.310 1.00 0.00 C ATOM 1190 C HIS A 44 -9.147 -1.340 2.222 1.00 0.00 C ATOM 1191 O HIS A 44 -8.051 -1.904 2.267 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.551 -2.129 2.090 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.488 -3.276 3.056 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -11.707 -3.172 4.422 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.123 -4.553 2.834 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -11.446 -4.377 4.969 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.087 -5.227 4.036 1.00 0.00 N ATOM 0 H HIS A 44 -9.226 -3.713 1.369 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.487 -1.166 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.811 -1.222 2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.354 -2.313 1.376 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.010 -2.336 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.895 -4.981 1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.521 -4.608 6.021 1.00 0.00 H new ATOM 1205 N SER A 45 -9.430 -0.275 2.946 1.00 0.00 N ATOM 1206 CA SER A 45 -8.433 0.330 3.814 1.00 0.00 C ATOM 1207 C SER A 45 -7.858 -0.687 4.807 1.00 0.00 C ATOM 1208 O SER A 45 -6.644 -0.774 4.973 1.00 0.00 O ATOM 1209 CB SER A 45 -9.048 1.515 4.553 1.00 0.00 C ATOM 1210 OG SER A 45 -10.357 1.779 4.065 1.00 0.00 O ATOM 0 H SER A 45 -10.338 0.190 2.952 1.00 0.00 H new ATOM 0 HA SER A 45 -7.607 0.680 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.087 1.304 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.421 2.397 4.425 1.00 0.00 H new ATOM 0 HG SER A 45 -10.739 2.540 4.549 1.00 0.00 H new ATOM 1216 N ARG A 46 -8.733 -1.475 5.427 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.328 -2.415 6.471 1.00 0.00 C ATOM 1218 C ARG A 46 -7.764 -3.728 5.914 1.00 0.00 C ATOM 1219 O ARG A 46 -7.276 -4.562 6.676 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.514 -2.702 7.392 1.00 0.00 C ATOM 1221 CG ARG A 46 -9.171 -2.613 8.868 1.00 0.00 C ATOM 1222 CD ARG A 46 -8.618 -3.933 9.387 1.00 0.00 C ATOM 1223 NE ARG A 46 -8.742 -4.061 10.837 1.00 0.00 N ATOM 1224 CZ ARG A 46 -9.818 -4.547 11.454 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -10.878 -4.928 10.749 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -9.828 -4.668 12.776 1.00 0.00 N ATOM 0 H ARG A 46 -9.732 -1.481 5.224 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.521 -1.943 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.315 -1.997 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.898 -3.699 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.438 -1.822 9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.061 -2.341 9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.145 -4.758 8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.568 -4.019 9.107 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.956 -3.760 11.413 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.869 -4.849 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.700 -5.300 11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.012 -4.389 13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.652 -5.040 13.248 1.00 0.00 H new ATOM 1240 N CYS A 47 -7.826 -3.928 4.604 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.252 -5.134 4.012 1.00 0.00 C ATOM 1242 C CYS A 47 -5.812 -4.891 3.616 1.00 0.00 C ATOM 1243 O CYS A 47 -4.927 -5.695 3.911 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.046 -5.588 2.793 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.691 -7.281 2.941 1.00 0.00 S ATOM 0 H CYS A 47 -8.259 -3.286 3.940 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.295 -5.922 4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.879 -4.902 2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.410 -5.525 1.910 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.231 -7.439 4.113 1.00 0.00 H new ATOM 1250 N LEU A 48 -5.589 -3.773 2.949 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.257 -3.396 2.519 1.00 0.00 C ATOM 1252 C LEU A 48 -3.460 -2.863 3.704 1.00 0.00 C ATOM 1253 O LEU A 48 -3.240 -1.659 3.834 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.336 -2.349 1.408 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.198 -2.890 -0.020 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.823 -1.771 -0.978 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.165 -4.007 -0.085 1.00 0.00 C ATOM 0 H LEU A 48 -6.318 -3.108 2.693 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.748 -4.276 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.290 -1.829 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.554 -1.608 1.574 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.163 -3.301 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.729 -2.172 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.598 -1.004 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.873 -1.333 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.088 -4.372 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.196 -3.626 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.471 -4.824 0.569 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.050 -3.772 4.571 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.304 -3.422 5.766 1.00 0.00 C ATOM 1271 C LYS A 49 -0.999 -4.201 5.815 1.00 0.00 C ATOM 1272 O LYS A 49 -0.912 -5.301 5.268 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.127 -3.717 7.028 1.00 0.00 C ATOM 1274 CG LYS A 49 -3.998 -4.964 6.930 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.383 -6.145 7.667 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.015 -7.459 7.233 1.00 0.00 C ATOM 1277 NZ LYS A 49 -4.144 -8.423 8.361 1.00 0.00 N ATOM 0 H LYS A 49 -3.225 -4.772 4.467 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.087 -2.354 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.448 -3.828 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.764 -2.859 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.984 -4.752 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.141 -5.225 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.310 -6.175 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.514 -6.014 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.001 -7.264 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.412 -7.906 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.077 -8.882 8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.399 -9.145 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.046 -7.916 9.264 1.00 0.00 H new ATOM 1291 N CYS A 50 0.011 -3.629 6.460 1.00 0.00 N ATOM 1292 CA CYS A 50 1.270 -4.328 6.664 1.00 0.00 C ATOM 1293 C CYS A 50 1.015 -5.583 7.486 1.00 0.00 C ATOM 1294 O CYS A 50 0.278 -5.545 8.468 1.00 0.00 O ATOM 1295 CB CYS A 50 2.282 -3.427 7.384 1.00 0.00 C ATOM 1296 SG CYS A 50 3.885 -4.229 7.731 1.00 0.00 S ATOM 0 H CYS A 50 -0.019 -2.686 6.849 1.00 0.00 H new ATOM 0 HA CYS A 50 1.687 -4.599 5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.457 -2.539 6.777 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.846 -3.090 8.324 1.00 0.00 H new ATOM 0 HG CYS A 50 4.842 -3.359 7.602 1.00 0.00 H new ATOM 1301 N SER A 51 1.610 -6.693 7.093 1.00 0.00 N ATOM 1302 CA SER A 51 1.452 -7.926 7.847 1.00 0.00 C ATOM 1303 C SER A 51 2.355 -7.919 9.080 1.00 0.00 C ATOM 1304 O SER A 51 2.367 -8.865 9.865 1.00 0.00 O ATOM 1305 CB SER A 51 1.765 -9.135 6.965 1.00 0.00 C ATOM 1306 OG SER A 51 1.582 -8.822 5.594 1.00 0.00 O ATOM 0 H SER A 51 2.201 -6.769 6.265 1.00 0.00 H new ATOM 0 HA SER A 51 0.416 -7.997 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.792 -9.458 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.119 -9.969 7.241 1.00 0.00 H new ATOM 0 HG SER A 51 1.789 -9.609 5.048 1.00 0.00 H new ATOM 1312 N SER A 52 3.111 -6.841 9.247 1.00 0.00 N ATOM 1313 CA SER A 52 3.995 -6.706 10.391 1.00 0.00 C ATOM 1314 C SER A 52 3.586 -5.520 11.272 1.00 0.00 C ATOM 1315 O SER A 52 3.731 -5.569 12.495 1.00 0.00 O ATOM 1316 CB SER A 52 5.438 -6.563 9.913 1.00 0.00 C ATOM 1317 OG SER A 52 5.677 -7.385 8.781 1.00 0.00 O ATOM 0 H SER A 52 3.128 -6.050 8.604 1.00 0.00 H new ATOM 0 HA SER A 52 3.914 -7.605 11.002 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.641 -5.522 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.121 -6.836 10.717 1.00 0.00 H new ATOM 0 HG SER A 52 6.606 -7.278 8.489 1.00 0.00 H new ATOM 1323 N CYS A 53 3.077 -4.456 10.654 1.00 0.00 N ATOM 1324 CA CYS A 53 2.576 -3.308 11.405 1.00 0.00 C ATOM 1325 C CYS A 53 1.084 -3.449 11.674 1.00 0.00 C ATOM 1326 O CYS A 53 0.594 -3.046 12.731 1.00 0.00 O ATOM 1327 CB CYS A 53 2.800 -2.010 10.625 1.00 0.00 C ATOM 1328 SG CYS A 53 4.540 -1.527 10.421 1.00 0.00 S ATOM 0 H CYS A 53 3.001 -4.365 9.641 1.00 0.00 H new ATOM 0 HA CYS A 53 3.122 -3.274 12.348 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.350 -2.115 9.638 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.272 -1.203 11.133 1.00 0.00 H new ATOM 0 HG CYS A 53 5.230 -2.551 10.014 1.00 0.00 H new ATOM 1333 N GLN A 54 0.387 -4.030 10.702 1.00 0.00 N ATOM 1334 CA GLN A 54 -1.072 -4.063 10.670 1.00 0.00 C ATOM 1335 C GLN A 54 -1.623 -2.663 10.456 1.00 0.00 C ATOM 1336 O GLN A 54 -2.792 -2.393 10.735 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.655 -4.694 11.933 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.007 -6.159 11.747 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.425 -6.371 11.238 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -3.899 -7.502 11.141 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.104 -5.292 10.876 1.00 0.00 N ATOM 0 H GLN A 54 0.823 -4.496 9.906 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.374 -4.691 9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.937 -4.598 12.747 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.549 -4.145 12.230 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.304 -6.609 11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.887 -6.679 12.697 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.681 -4.368 10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.049 -5.385 10.504 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.766 -1.787 9.944 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.150 -0.426 9.622 1.00 0.00 C ATOM 1352 C ALA A 55 -1.826 -0.390 8.262 1.00 0.00 C ATOM 1353 O ALA A 55 -1.306 -0.942 7.290 1.00 0.00 O ATOM 1354 CB ALA A 55 0.068 0.484 9.632 1.00 0.00 C ATOM 0 H ALA A 55 0.210 -2.003 9.743 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.852 -0.069 10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.236 1.502 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.525 0.469 10.621 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.789 0.135 8.893 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.981 0.248 8.202 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.768 0.296 6.987 1.00 0.00 C ATOM 1362 C GLN A 56 -3.189 1.292 5.986 1.00 0.00 C ATOM 1363 O GLN A 56 -3.273 2.504 6.181 1.00 0.00 O ATOM 1364 CB GLN A 56 -5.205 0.667 7.330 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.949 -0.434 8.062 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.188 -0.117 9.524 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.680 -0.799 10.409 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.972 0.913 9.786 1.00 0.00 N ATOM 0 H GLN A 56 -3.396 0.744 8.990 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.744 -0.689 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.204 1.567 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.740 0.909 6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.907 -0.605 7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.382 -1.361 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.375 1.455 9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.175 1.167 10.753 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.615 0.771 4.909 1.00 0.00 N ATOM 1378 CA LEU A 57 -2.055 1.605 3.851 1.00 0.00 C ATOM 1379 C LEU A 57 -3.105 1.874 2.780 1.00 0.00 C ATOM 1380 O LEU A 57 -2.851 2.591 1.814 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.834 0.935 3.206 1.00 0.00 C ATOM 1382 CG LEU A 57 0.128 0.230 4.166 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.043 -1.277 3.993 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.554 0.705 3.932 1.00 0.00 C ATOM 0 H LEU A 57 -2.524 -0.231 4.744 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.741 2.547 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.187 0.206 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.277 1.693 2.656 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.161 0.480 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.733 -1.762 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.973 -1.611 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.308 -1.541 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.225 0.194 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.849 0.481 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.611 1.781 4.099 1.00 0.00 H new ATOM 1396 N GLY A 58 -4.290 1.303 2.974 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.347 1.396 1.981 1.00 0.00 C ATOM 1398 C GLY A 58 -5.807 2.817 1.701 1.00 0.00 C ATOM 1399 O GLY A 58 -6.327 3.100 0.622 1.00 0.00 O ATOM 0 H GLY A 58 -4.539 0.773 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.998 0.948 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.201 0.808 2.318 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.630 3.716 2.661 1.00 0.00 N ATOM 1404 CA ASP A 59 -6.054 5.100 2.474 1.00 0.00 C ATOM 1405 C ASP A 59 -4.874 5.982 2.104 1.00 0.00 C ATOM 1406 O ASP A 59 -4.966 7.208 2.107 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.741 5.638 3.730 1.00 0.00 C ATOM 1408 CG ASP A 59 -7.690 6.782 3.427 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -8.771 6.532 2.850 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.362 7.941 3.765 1.00 0.00 O ATOM 0 H ASP A 59 -5.202 3.517 3.565 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.772 5.118 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.292 4.831 4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.984 5.976 4.438 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.767 5.352 1.768 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.568 6.079 1.399 1.00 0.00 C ATOM 1417 C ILE A 60 -2.192 5.775 -0.045 1.00 0.00 C ATOM 1418 O ILE A 60 -2.314 4.643 -0.504 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.375 5.739 2.321 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.860 5.287 3.703 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.456 6.943 2.454 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.747 4.827 4.623 1.00 0.00 C ATOM 0 H ILE A 60 -3.672 4.337 1.743 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.789 7.140 1.511 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.820 4.916 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.394 6.111 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.575 4.474 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.381 6.692 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.079 7.223 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.010 7.779 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.169 4.523 5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.227 3.982 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.043 5.644 4.779 1.00 0.00 H new ATOM 1434 N GLY A 61 -1.737 6.796 -0.758 1.00 0.00 N ATOM 1435 CA GLY A 61 -1.360 6.628 -2.152 1.00 0.00 C ATOM 1436 C GLY A 61 0.040 6.063 -2.323 1.00 0.00 C ATOM 1437 O GLY A 61 0.605 6.103 -3.417 1.00 0.00 O ATOM 0 H GLY A 61 -1.621 7.743 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.075 5.965 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.422 7.591 -2.658 1.00 0.00 H new ATOM 1441 N THR A 62 0.604 5.544 -1.245 1.00 0.00 N ATOM 1442 CA THR A 62 1.922 4.944 -1.287 1.00 0.00 C ATOM 1443 C THR A 62 1.808 3.430 -1.415 1.00 0.00 C ATOM 1444 O THR A 62 1.149 2.780 -0.608 1.00 0.00 O ATOM 1445 CB THR A 62 2.726 5.295 -0.028 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.200 6.493 0.568 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.195 5.492 -0.364 1.00 0.00 C ATOM 0 H THR A 62 0.164 5.528 -0.325 1.00 0.00 H new ATOM 0 HA THR A 62 2.445 5.342 -2.156 1.00 0.00 H new ATOM 0 HB THR A 62 2.640 4.469 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.716 6.712 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.746 5.740 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.597 4.574 -0.793 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.298 6.304 -1.084 1.00 0.00 H new ATOM 1455 N SER A 63 2.447 2.878 -2.432 1.00 0.00 N ATOM 1456 CA SER A 63 2.339 1.457 -2.714 1.00 0.00 C ATOM 1457 C SER A 63 3.250 0.642 -1.798 1.00 0.00 C ATOM 1458 O SER A 63 4.433 0.960 -1.628 1.00 0.00 O ATOM 1459 CB SER A 63 2.680 1.198 -4.179 1.00 0.00 C ATOM 1460 OG SER A 63 2.244 2.276 -4.991 1.00 0.00 O ATOM 0 H SER A 63 3.047 3.393 -3.077 1.00 0.00 H new ATOM 0 HA SER A 63 1.313 1.142 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.756 1.065 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.208 0.273 -4.510 1.00 0.00 H new ATOM 0 HG SER A 63 2.472 2.094 -5.927 1.00 0.00 H new ATOM 1466 N SER A 64 2.680 -0.385 -1.185 1.00 0.00 N ATOM 1467 CA SER A 64 3.431 -1.291 -0.332 1.00 0.00 C ATOM 1468 C SER A 64 4.125 -2.359 -1.176 1.00 0.00 C ATOM 1469 O SER A 64 3.898 -2.452 -2.388 1.00 0.00 O ATOM 1470 CB SER A 64 2.481 -1.928 0.685 1.00 0.00 C ATOM 1471 OG SER A 64 1.133 -1.606 0.380 1.00 0.00 O ATOM 0 H SER A 64 1.689 -0.612 -1.265 1.00 0.00 H new ATOM 0 HA SER A 64 4.202 -0.736 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.611 -3.010 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.726 -1.579 1.688 1.00 0.00 H new ATOM 0 HG SER A 64 0.536 -2.251 0.814 1.00 0.00 H new ATOM 1477 N TYR A 65 4.967 -3.160 -0.543 1.00 0.00 N ATOM 1478 CA TYR A 65 5.755 -4.147 -1.263 1.00 0.00 C ATOM 1479 C TYR A 65 5.355 -5.555 -0.855 1.00 0.00 C ATOM 1480 O TYR A 65 4.808 -5.765 0.228 1.00 0.00 O ATOM 1481 CB TYR A 65 7.243 -3.933 -0.992 1.00 0.00 C ATOM 1482 CG TYR A 65 7.752 -2.577 -1.418 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.892 -2.262 -2.760 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.087 -1.609 -0.477 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.351 -1.024 -3.156 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.548 -0.368 -0.868 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.678 -0.082 -2.209 1.00 0.00 C ATOM 1488 OH TYR A 65 9.133 1.152 -2.608 1.00 0.00 O ATOM 0 H TYR A 65 5.122 -3.146 0.465 1.00 0.00 H new ATOM 0 HA TYR A 65 5.564 -4.025 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.431 -4.063 0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.812 -4.704 -1.512 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.637 -2.998 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.985 -1.832 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.453 -0.795 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.805 0.374 -0.127 1.00 0.00 H new ATOM 0 HH TYR A 65 9.319 1.703 -1.819 1.00 0.00 H new ATOM 1498 N THR A 66 5.633 -6.516 -1.717 1.00 0.00 N ATOM 1499 CA THR A 66 5.293 -7.896 -1.440 1.00 0.00 C ATOM 1500 C THR A 66 6.412 -8.825 -1.898 1.00 0.00 C ATOM 1501 O THR A 66 7.243 -8.446 -2.723 1.00 0.00 O ATOM 1502 CB THR A 66 3.955 -8.291 -2.105 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.370 -9.395 -1.406 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.137 -8.658 -3.573 1.00 0.00 C ATOM 0 H THR A 66 6.093 -6.364 -2.614 1.00 0.00 H new ATOM 0 HA THR A 66 5.173 -7.999 -0.362 1.00 0.00 H new ATOM 0 HB THR A 66 3.295 -7.425 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.619 -9.351 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.173 -8.929 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.548 -7.805 -4.113 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.821 -9.503 -3.655 1.00 0.00 H new ATOM 1512 N LYS A 67 6.435 -10.029 -1.343 1.00 0.00 N ATOM 1513 CA LYS A 67 7.461 -11.005 -1.674 1.00 0.00 C ATOM 1514 C LYS A 67 7.001 -12.414 -1.320 1.00 0.00 C ATOM 1515 O LYS A 67 6.346 -13.084 -2.117 1.00 0.00 O ATOM 1516 CB LYS A 67 8.758 -10.669 -0.936 1.00 0.00 C ATOM 1517 CG LYS A 67 10.002 -10.784 -1.802 1.00 0.00 C ATOM 1518 CD LYS A 67 11.260 -10.874 -0.954 1.00 0.00 C ATOM 1519 CE LYS A 67 12.516 -10.833 -1.808 1.00 0.00 C ATOM 1520 NZ LYS A 67 12.930 -12.193 -2.249 1.00 0.00 N ATOM 0 H LYS A 67 5.751 -10.353 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 67 7.643 -10.966 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.691 -9.654 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.860 -11.334 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.925 -11.667 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.068 -9.920 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.278 -10.050 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.243 -11.797 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.341 -10.205 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.326 -10.373 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.790 -12.123 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.122 -12.785 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.168 -12.623 -2.811 1.00 0.00 H new ATOM 1534 N SER A 68 7.328 -12.849 -0.112 1.00 0.00 N ATOM 1535 CA SER A 68 7.007 -14.193 0.342 1.00 0.00 C ATOM 1536 C SER A 68 5.559 -14.292 0.830 1.00 0.00 C ATOM 1537 O SER A 68 5.304 -14.606 1.993 1.00 0.00 O ATOM 1538 CB SER A 68 7.980 -14.575 1.453 1.00 0.00 C ATOM 1539 OG SER A 68 9.065 -13.660 1.487 1.00 0.00 O ATOM 0 H SER A 68 7.821 -12.283 0.578 1.00 0.00 H new ATOM 0 HA SER A 68 7.106 -14.886 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.465 -14.576 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.352 -15.586 1.289 1.00 0.00 H new ATOM 0 HG SER A 68 9.107 -13.235 2.369 1.00 0.00 H new ATOM 1545 N GLY A 69 4.622 -14.007 -0.068 1.00 0.00 N ATOM 1546 CA GLY A 69 3.208 -14.124 0.252 1.00 0.00 C ATOM 1547 C GLY A 69 2.766 -13.189 1.365 1.00 0.00 C ATOM 1548 O GLY A 69 1.826 -13.494 2.101 1.00 0.00 O ATOM 0 H GLY A 69 4.817 -13.695 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.621 -13.916 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.992 -15.152 0.543 1.00 0.00 H new ATOM 1552 N MET A 70 3.446 -12.056 1.498 1.00 0.00 N ATOM 1553 CA MET A 70 3.122 -11.085 2.537 1.00 0.00 C ATOM 1554 C MET A 70 3.205 -9.669 1.989 1.00 0.00 C ATOM 1555 O MET A 70 4.108 -9.352 1.210 1.00 0.00 O ATOM 1556 CB MET A 70 4.071 -11.226 3.733 1.00 0.00 C ATOM 1557 CG MET A 70 3.609 -12.250 4.759 1.00 0.00 C ATOM 1558 SD MET A 70 4.561 -12.180 6.291 1.00 0.00 S ATOM 1559 CE MET A 70 6.004 -13.138 5.834 1.00 0.00 C ATOM 0 H MET A 70 4.226 -11.787 0.899 1.00 0.00 H new ATOM 0 HA MET A 70 2.103 -11.282 2.870 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.060 -11.508 3.371 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.174 -10.257 4.220 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.555 -12.084 4.983 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.690 -13.249 4.331 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.691 -13.187 6.679 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.698 -14.147 5.556 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.503 -12.664 4.988 1.00 0.00 H new ATOM 1569 N ILE A 71 2.260 -8.831 2.385 1.00 0.00 N ATOM 1570 CA ILE A 71 2.268 -7.424 2.008 1.00 0.00 C ATOM 1571 C ILE A 71 2.818 -6.589 3.149 1.00 0.00 C ATOM 1572 O ILE A 71 2.197 -6.471 4.207 1.00 0.00 O ATOM 1573 CB ILE A 71 0.867 -6.898 1.629 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.205 -7.963 1.847 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.856 -6.429 0.187 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -0.796 -7.943 3.238 1.00 0.00 C ATOM 0 H ILE A 71 1.471 -9.103 2.972 1.00 0.00 H new ATOM 0 HA ILE A 71 2.902 -7.338 1.126 1.00 0.00 H new ATOM 0 HB ILE A 71 0.638 -6.054 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.003 -7.819 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.226 -8.946 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.138 -6.060 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.584 -5.628 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.114 -7.261 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.551 -8.725 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.008 -8.117 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.256 -6.973 3.424 1.00 0.00 H new ATOM 1588 N LEU A 72 3.985 -6.017 2.937 1.00 0.00 N ATOM 1589 CA LEU A 72 4.678 -5.303 3.987 1.00 0.00 C ATOM 1590 C LEU A 72 4.820 -3.832 3.631 1.00 0.00 C ATOM 1591 O LEU A 72 4.784 -3.461 2.452 1.00 0.00 O ATOM 1592 CB LEU A 72 6.053 -5.931 4.217 1.00 0.00 C ATOM 1593 CG LEU A 72 6.145 -6.891 5.406 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.092 -7.983 5.322 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.533 -7.503 5.479 1.00 0.00 C ATOM 0 H LEU A 72 4.475 -6.033 2.042 1.00 0.00 H new ATOM 0 HA LEU A 72 4.095 -5.375 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.344 -6.468 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.780 -5.131 4.360 1.00 0.00 H new ATOM 0 HG LEU A 72 5.959 -6.318 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.186 -8.646 6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.100 -7.532 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.233 -8.555 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.586 -8.184 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.737 -8.053 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.273 -6.712 5.601 1.00 0.00 H new ATOM 1607 N CYS A 73 4.968 -2.997 4.652 1.00 0.00 N ATOM 1608 CA CYS A 73 5.142 -1.572 4.451 1.00 0.00 C ATOM 1609 C CYS A 73 6.500 -1.275 3.814 1.00 0.00 C ATOM 1610 O CYS A 73 7.324 -2.177 3.616 1.00 0.00 O ATOM 1611 CB CYS A 73 5.008 -0.828 5.785 1.00 0.00 C ATOM 1612 SG CYS A 73 6.285 -1.258 7.011 1.00 0.00 S ATOM 0 H CYS A 73 4.970 -3.288 5.630 1.00 0.00 H new ATOM 0 HA CYS A 73 4.363 -1.224 3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.049 0.245 5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.027 -1.040 6.209 1.00 0.00 H new ATOM 0 HG CYS A 73 5.741 -1.359 8.187 1.00 0.00 H new ATOM 1617 N ARG A 74 6.732 -0.006 3.516 1.00 0.00 N ATOM 1618 CA ARG A 74 7.973 0.427 2.884 1.00 0.00 C ATOM 1619 C ARG A 74 9.175 0.080 3.756 1.00 0.00 C ATOM 1620 O ARG A 74 10.152 -0.501 3.286 1.00 0.00 O ATOM 1621 CB ARG A 74 7.935 1.935 2.632 1.00 0.00 C ATOM 1622 CG ARG A 74 8.363 2.332 1.233 1.00 0.00 C ATOM 1623 CD ARG A 74 7.216 2.952 0.457 1.00 0.00 C ATOM 1624 NE ARG A 74 7.687 3.872 -0.574 1.00 0.00 N ATOM 1625 CZ ARG A 74 7.250 3.869 -1.834 1.00 0.00 C ATOM 1626 NH1 ARG A 74 6.321 3.002 -2.223 1.00 0.00 N ATOM 1627 NH2 ARG A 74 7.737 4.739 -2.708 1.00 0.00 N ATOM 0 H ARG A 74 6.072 0.749 3.703 1.00 0.00 H new ATOM 0 HA ARG A 74 8.072 -0.096 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.923 2.298 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.583 2.431 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.189 3.040 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.732 1.455 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.623 2.163 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.559 3.484 1.145 1.00 0.00 H new ATOM 0 HE ARG A 74 8.394 4.560 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.937 2.333 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.992 3.006 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.447 5.411 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.402 4.736 -3.671 1.00 0.00 H new ATOM 1641 N ASN A 75 9.072 0.413 5.034 1.00 0.00 N ATOM 1642 CA ASN A 75 10.172 0.233 5.969 1.00 0.00 C ATOM 1643 C ASN A 75 10.374 -1.238 6.312 1.00 0.00 C ATOM 1644 O ASN A 75 11.505 -1.714 6.410 1.00 0.00 O ATOM 1645 CB ASN A 75 9.903 1.032 7.244 1.00 0.00 C ATOM 1646 CG ASN A 75 11.133 1.184 8.113 1.00 0.00 C ATOM 1647 OD1 ASN A 75 12.172 1.675 7.668 1.00 0.00 O ATOM 1648 ND2 ASN A 75 11.023 0.776 9.368 1.00 0.00 N ATOM 0 H ASN A 75 8.230 0.813 5.450 1.00 0.00 H new ATOM 0 HA ASN A 75 11.083 0.596 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.529 2.020 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.118 0.539 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.816 0.863 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.146 0.375 9.699 1.00 0.00 H new ATOM 1655 N ASP A 76 9.273 -1.962 6.478 1.00 0.00 N ATOM 1656 CA ASP A 76 9.332 -3.354 6.913 1.00 0.00 C ATOM 1657 C ASP A 76 9.911 -4.254 5.844 1.00 0.00 C ATOM 1658 O ASP A 76 10.713 -5.136 6.139 1.00 0.00 O ATOM 1659 CB ASP A 76 7.954 -3.875 7.298 1.00 0.00 C ATOM 1660 CG ASP A 76 7.845 -4.137 8.779 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.767 -4.774 9.344 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.847 -3.704 9.388 1.00 0.00 O ATOM 0 H ASP A 76 8.329 -1.609 6.318 1.00 0.00 H new ATOM 0 HA ASP A 76 9.985 -3.373 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.196 -3.150 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.748 -4.795 6.751 1.00 0.00 H new ATOM 1667 N TYR A 77 9.499 -4.042 4.602 1.00 0.00 N ATOM 1668 CA TYR A 77 9.965 -4.883 3.515 1.00 0.00 C ATOM 1669 C TYR A 77 11.483 -4.836 3.411 1.00 0.00 C ATOM 1670 O TYR A 77 12.131 -5.875 3.288 1.00 0.00 O ATOM 1671 CB TYR A 77 9.342 -4.477 2.182 1.00 0.00 C ATOM 1672 CG TYR A 77 9.893 -5.280 1.028 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.855 -6.668 1.054 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.475 -4.658 -0.067 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.379 -7.412 0.020 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.006 -5.397 -1.104 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.953 -6.771 -1.055 1.00 0.00 C ATOM 1678 OH TYR A 77 11.499 -7.506 -2.078 1.00 0.00 O ATOM 0 H TYR A 77 8.851 -3.304 4.327 1.00 0.00 H new ATOM 0 HA TYR A 77 9.653 -5.903 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.261 -4.610 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.525 -3.417 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.408 -7.172 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.513 -3.579 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.340 -8.491 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.460 -4.900 -1.949 1.00 0.00 H new ATOM 0 HH TYR A 77 12.476 -7.437 -2.045 1.00 0.00 H new ATOM 1688 N ILE A 78 12.044 -3.635 3.469 1.00 0.00 N ATOM 1689 CA ILE A 78 13.491 -3.466 3.410 1.00 0.00 C ATOM 1690 C ILE A 78 14.145 -4.088 4.644 1.00 0.00 C ATOM 1691 O ILE A 78 15.214 -4.697 4.558 1.00 0.00 O ATOM 1692 CB ILE A 78 13.879 -1.972 3.302 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.323 -1.377 2.003 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.394 -1.796 3.359 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.083 0.115 2.071 1.00 0.00 C ATOM 0 H ILE A 78 11.520 -2.764 3.557 1.00 0.00 H new ATOM 0 HA ILE A 78 13.852 -3.975 2.516 1.00 0.00 H new ATOM 0 HB ILE A 78 13.445 -1.443 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.019 -1.587 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.386 -1.876 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.640 -0.737 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.770 -2.188 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.855 -2.337 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.690 0.464 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.364 0.332 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.022 0.625 2.285 1.00 0.00 H new ATOM 1707 N ARG A 79 13.472 -3.949 5.782 1.00 0.00 N ATOM 1708 CA ARG A 79 13.951 -4.499 7.046 1.00 0.00 C ATOM 1709 C ARG A 79 14.012 -6.023 6.994 1.00 0.00 C ATOM 1710 O ARG A 79 14.972 -6.631 7.466 1.00 0.00 O ATOM 1711 CB ARG A 79 13.027 -4.062 8.186 1.00 0.00 C ATOM 1712 CG ARG A 79 13.758 -3.481 9.383 1.00 0.00 C ATOM 1713 CD ARG A 79 13.288 -4.118 10.682 1.00 0.00 C ATOM 1714 NE ARG A 79 11.844 -4.364 10.693 1.00 0.00 N ATOM 1715 CZ ARG A 79 11.107 -4.406 11.804 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.668 -4.212 12.989 1.00 0.00 N ATOM 1717 NH2 ARG A 79 9.806 -4.646 11.730 1.00 0.00 N ATOM 0 H ARG A 79 12.583 -3.454 5.854 1.00 0.00 H new ATOM 0 HA ARG A 79 14.958 -4.119 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.324 -3.320 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.439 -4.920 8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.831 -3.636 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.594 -2.404 9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.815 -5.060 10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.550 -3.469 11.517 1.00 0.00 H new ATOM 0 HE ARG A 79 11.375 -4.512 9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.669 -4.029 13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.098 -4.245 13.835 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.366 -4.799 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.244 -4.678 12.581 1.00 0.00 H new ATOM 1731 N LEU A 80 12.982 -6.633 6.423 1.00 0.00 N ATOM 1732 CA LEU A 80 12.888 -8.082 6.367 1.00 0.00 C ATOM 1733 C LEU A 80 13.705 -8.649 5.211 1.00 0.00 C ATOM 1734 O LEU A 80 14.587 -9.487 5.413 1.00 0.00 O ATOM 1735 CB LEU A 80 11.427 -8.513 6.232 1.00 0.00 C ATOM 1736 CG LEU A 80 10.759 -8.933 7.544 1.00 0.00 C ATOM 1737 CD1 LEU A 80 10.174 -7.727 8.263 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.682 -9.973 7.285 1.00 0.00 C ATOM 0 H LEU A 80 12.198 -6.143 5.991 1.00 0.00 H new ATOM 0 HA LEU A 80 13.297 -8.477 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.859 -7.690 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.371 -9.345 5.529 1.00 0.00 H new ATOM 0 HG LEU A 80 11.520 -9.376 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.705 -8.050 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.969 -7.015 8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.428 -7.250 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.218 -10.259 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.925 -9.555 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.129 -10.851 6.819 1.00 0.00 H new ATOM 1750 N PHE A 81 13.420 -8.190 4.003 1.00 0.00 N ATOM 1751 CA PHE A 81 14.068 -8.723 2.817 1.00 0.00 C ATOM 1752 C PHE A 81 14.868 -7.641 2.102 1.00 0.00 C ATOM 1753 O PHE A 81 16.098 -7.648 2.128 1.00 0.00 O ATOM 1754 CB PHE A 81 13.031 -9.319 1.860 1.00 0.00 C ATOM 1755 CG PHE A 81 11.994 -10.173 2.538 1.00 0.00 C ATOM 1756 CD1 PHE A 81 12.266 -11.493 2.859 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.747 -9.654 2.853 1.00 0.00 C ATOM 1758 CE1 PHE A 81 11.315 -12.279 3.483 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.794 -10.436 3.479 1.00 0.00 C ATOM 1760 CZ PHE A 81 10.079 -11.749 3.794 1.00 0.00 C ATOM 0 H PHE A 81 12.744 -7.449 3.819 1.00 0.00 H new ATOM 0 HA PHE A 81 14.752 -9.510 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.530 -8.508 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.546 -9.918 1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.232 -11.913 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.518 -8.628 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.539 -13.307 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.827 -10.020 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.336 -12.361 4.283 1.00 0.00 H new ATOM 1770 N GLY A 82 14.166 -6.705 1.479 1.00 0.00 N ATOM 1771 CA GLY A 82 14.829 -5.657 0.734 1.00 0.00 C ATOM 1772 C GLY A 82 14.949 -6.003 -0.735 1.00 0.00 C ATOM 1773 O GLY A 82 15.895 -5.519 -1.388 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.101 -6.768 -1.242 1.00 0.00 O ATOM 0 H GLY A 82 13.147 -6.654 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.274 -4.725 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.822 -5.487 1.150 1.00 0.00 H new