USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ 138:sc= 2.09 (180deg=-2.15!) USER MOD Set 1.2: A 77 TYR OH : rot 64:sc= 1.86 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0.0866 USER MOD Set 2.2: A 65 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 50 CYS SG : rot 161:sc= 0.798 USER MOD Set 3.2: A 53 CYS SG : rot -48:sc= 0.57 USER MOD Set 3.3: A 73 CYS SG : rot -131:sc= -1.77! USER MOD Set 3.4: A 75 ASN : amide:sc= 0.321 X(o=-0.084,f=0.065) USER MOD Set 4.1: A 39 MET CE :methyl -131:sc= -0.333 (180deg=-1.18) USER MOD Set 4.2: A 668 MET CE :methyl -114:sc= -0.824 (180deg=-2.68!) USER MOD Set 5.1: A 37 TYR OH : rot 94:sc= 1.83 USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0.533 USER MOD Set 6.1: A 23 CYS SG : rot 115:sc= 1.43 USER MOD Set 6.2: A 26 CYS SG : rot 111:sc= 0.775 USER MOD Set 6.3: A 44 HIS : no HE2:sc= -3.18! C(o=-2.3!,f=-3.4!) USER MOD Set 6.4: A 47 CYS SG : rot 63:sc= -1.28 USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.207) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 117:sc= 1.29 USER MOD Single : A 45 SER OG : rot 180:sc= 0.109 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 77:sc= 0.294 USER MOD Single : A 52 SER OG : rot -139:sc= 0.268 USER MOD Single : A 54 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.19) USER MOD Single : A 56 GLN : amide:sc= 1.17 K(o=1.2,f=-7.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 64 SER OG : rot 180:sc= 0.125 USER MOD Single : A 66 THR OG1 : rot 62:sc= 1.34 USER MOD Single : A 68 SER OG : rot 125:sc= 0.00978 USER MOD Single : A 70 MET CE :methyl -165:sc= -0.0783 (180deg=-0.415) USER MOD Single : A 664 SER OG : rot 180:sc= 0.125 USER MOD Single : A 665 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.25) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ -138:sc= 1.33 (180deg=-0.658) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 149:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.694 -1.394 -5.678 1.00 0.00 N ATOM 327 CA LEU A 663 12.443 -1.895 -5.100 1.00 0.00 C ATOM 328 C LEU A 663 11.263 -1.580 -6.018 1.00 0.00 C ATOM 329 O LEU A 663 10.109 -1.846 -5.685 1.00 0.00 O ATOM 330 CB LEU A 663 12.199 -1.318 -3.698 1.00 0.00 C ATOM 331 CG LEU A 663 12.590 -2.237 -2.541 1.00 0.00 C ATOM 332 CD1 LEU A 663 14.096 -2.219 -2.330 1.00 0.00 C ATOM 333 CD2 LEU A 663 11.867 -1.819 -1.273 1.00 0.00 C ATOM 0 HA LEU A 663 12.534 -2.977 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 663 12.755 -0.385 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.142 -1.070 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 663 12.294 -3.256 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 663 14.355 -2.879 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 663 14.595 -2.561 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 663 14.419 -1.204 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.153 -2.481 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.137 -0.794 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 663 10.790 -1.882 -1.430 1.00 0.00 H new ATOM 345 N SER A 664 11.572 -1.040 -7.188 1.00 0.00 N ATOM 346 CA SER A 664 10.570 -0.662 -8.167 1.00 0.00 C ATOM 347 C SER A 664 9.838 -1.892 -8.703 1.00 0.00 C ATOM 348 O SER A 664 8.634 -1.853 -8.949 1.00 0.00 O ATOM 349 CB SER A 664 11.250 0.102 -9.304 1.00 0.00 C ATOM 350 OG SER A 664 12.578 0.459 -8.940 1.00 0.00 O ATOM 0 H SER A 664 12.530 -0.852 -7.484 1.00 0.00 H new ATOM 0 HA SER A 664 9.827 -0.021 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.266 -0.512 -10.204 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.678 0.999 -9.540 1.00 0.00 H new ATOM 0 HG SER A 664 13.000 0.946 -9.679 1.00 0.00 H new ATOM 356 N GLN A 665 10.565 -2.996 -8.847 1.00 0.00 N ATOM 357 CA GLN A 665 9.981 -4.230 -9.357 1.00 0.00 C ATOM 358 C GLN A 665 9.301 -5.004 -8.231 1.00 0.00 C ATOM 359 O GLN A 665 8.595 -5.988 -8.465 1.00 0.00 O ATOM 360 CB GLN A 665 11.057 -5.098 -10.015 1.00 0.00 C ATOM 361 CG GLN A 665 11.778 -4.411 -11.165 1.00 0.00 C ATOM 362 CD GLN A 665 10.844 -3.991 -12.282 1.00 0.00 C ATOM 363 OE1 GLN A 665 9.928 -4.726 -12.653 1.00 0.00 O ATOM 364 NE2 GLN A 665 11.067 -2.804 -12.822 1.00 0.00 N ATOM 0 H GLN A 665 11.557 -3.060 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 665 9.232 -3.971 -10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 665 11.788 -5.388 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.597 -6.015 -10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 665 12.301 -3.533 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 665 12.536 -5.084 -11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 665 11.837 -2.227 -12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 665 10.469 -2.466 -13.576 1.00 0.00 H new ATOM 373 N TYR A 666 9.520 -4.553 -7.003 1.00 0.00 N ATOM 374 CA TYR A 666 8.966 -5.222 -5.834 1.00 0.00 C ATOM 375 C TYR A 666 7.631 -4.605 -5.441 1.00 0.00 C ATOM 376 O TYR A 666 6.854 -5.203 -4.697 1.00 0.00 O ATOM 377 CB TYR A 666 9.927 -5.127 -4.643 1.00 0.00 C ATOM 378 CG TYR A 666 11.282 -5.777 -4.858 1.00 0.00 C ATOM 379 CD1 TYR A 666 11.474 -6.750 -5.831 1.00 0.00 C ATOM 380 CD2 TYR A 666 12.370 -5.413 -4.074 1.00 0.00 C ATOM 381 CE1 TYR A 666 12.712 -7.339 -6.017 1.00 0.00 C ATOM 382 CE2 TYR A 666 13.609 -5.998 -4.253 1.00 0.00 C ATOM 383 CZ TYR A 666 13.776 -6.959 -5.225 1.00 0.00 C ATOM 384 OH TYR A 666 15.011 -7.544 -5.408 1.00 0.00 O ATOM 0 H TYR A 666 10.078 -3.726 -6.791 1.00 0.00 H new ATOM 0 HA TYR A 666 8.819 -6.270 -6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 666 10.080 -4.075 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 666 9.454 -5.587 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 666 10.643 -7.051 -6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.245 -4.659 -3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 666 12.845 -8.093 -6.779 1.00 0.00 H new ATOM 0 HE2 TYR A 666 14.443 -5.703 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 666 15.651 -7.164 -4.770 1.00 0.00 H new ATOM 394 N LYS A 667 7.370 -3.407 -5.939 1.00 0.00 N ATOM 395 CA LYS A 667 6.186 -2.661 -5.551 1.00 0.00 C ATOM 396 C LYS A 667 4.934 -3.185 -6.247 1.00 0.00 C ATOM 397 O LYS A 667 4.982 -3.638 -7.394 1.00 0.00 O ATOM 398 CB LYS A 667 6.381 -1.169 -5.856 1.00 0.00 C ATOM 399 CG LYS A 667 6.018 -0.761 -7.280 1.00 0.00 C ATOM 400 CD LYS A 667 4.894 0.268 -7.300 1.00 0.00 C ATOM 401 CE LYS A 667 4.059 0.163 -8.570 1.00 0.00 C ATOM 402 NZ LYS A 667 3.695 1.500 -9.116 1.00 0.00 N ATOM 0 H LYS A 667 7.966 -2.930 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 667 6.045 -2.794 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 667 5.777 -0.587 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 667 7.423 -0.907 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.897 -0.350 -7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 667 5.715 -1.642 -7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 667 4.253 0.125 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 667 5.316 1.270 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 667 4.615 -0.396 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 667 3.150 -0.401 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 2.703 1.489 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 3.816 2.222 -8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 4.311 1.725 -9.923 1.00 0.00 H new ATOM 416 N MET A 668 3.822 -3.136 -5.535 1.00 0.00 N ATOM 417 CA MET A 668 2.522 -3.404 -6.122 1.00 0.00 C ATOM 418 C MET A 668 1.812 -2.076 -6.329 1.00 0.00 C ATOM 419 O MET A 668 2.090 -1.107 -5.619 1.00 0.00 O ATOM 420 CB MET A 668 1.683 -4.330 -5.230 1.00 0.00 C ATOM 421 CG MET A 668 1.577 -3.867 -3.786 1.00 0.00 C ATOM 422 SD MET A 668 0.535 -4.945 -2.784 1.00 0.00 S ATOM 423 CE MET A 668 1.490 -6.460 -2.820 1.00 0.00 C ATOM 0 H MET A 668 3.795 -2.911 -4.541 1.00 0.00 H new ATOM 0 HA MET A 668 2.654 -3.915 -7.076 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.680 -4.411 -5.649 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.118 -5.329 -5.250 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.574 -3.824 -3.349 1.00 0.00 H new ATOM 0 HG3 MET A 668 1.174 -2.854 -3.762 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.935 -7.227 -3.361 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.441 -6.279 -3.321 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.675 -6.798 -1.800 1.00 0.00 H new ATOM 433 N ASP A 669 0.922 -2.017 -7.298 1.00 0.00 N ATOM 434 CA ASP A 669 0.256 -0.765 -7.628 1.00 0.00 C ATOM 435 C ASP A 669 -1.032 -0.605 -6.840 1.00 0.00 C ATOM 436 O ASP A 669 -1.970 -1.392 -6.991 1.00 0.00 O ATOM 437 CB ASP A 669 -0.032 -0.685 -9.125 1.00 0.00 C ATOM 438 CG ASP A 669 0.237 0.694 -9.690 1.00 0.00 C ATOM 439 OD1 ASP A 669 1.006 1.461 -9.073 1.00 0.00 O ATOM 440 OD2 ASP A 669 -0.309 1.011 -10.768 1.00 0.00 O ATOM 0 H ASP A 669 0.641 -2.813 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 669 0.928 0.049 -7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.582 -1.416 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -1.073 -0.953 -9.307 1.00 0.00 H new ATOM 445 N VAL A 670 -1.080 0.428 -6.011 1.00 0.00 N ATOM 446 CA VAL A 670 -2.242 0.682 -5.175 1.00 0.00 C ATOM 447 C VAL A 670 -3.301 1.448 -5.958 1.00 0.00 C ATOM 448 O VAL A 670 -3.256 2.673 -6.062 1.00 0.00 O ATOM 449 CB VAL A 670 -1.874 1.484 -3.908 1.00 0.00 C ATOM 450 CG1 VAL A 670 -2.978 1.370 -2.865 1.00 0.00 C ATOM 451 CG2 VAL A 670 -0.544 1.015 -3.334 1.00 0.00 C ATOM 0 H VAL A 670 -0.325 1.105 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.634 -0.288 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 670 -1.770 2.532 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -2.702 1.941 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -3.908 1.764 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.115 0.323 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.308 1.596 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -0.613 -0.041 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 670 0.242 1.154 -4.076 1.00 0.00 H new ATOM 461 N THR A 671 -4.243 0.712 -6.518 1.00 0.00 N ATOM 462 CA THR A 671 -5.320 1.312 -7.283 1.00 0.00 C ATOM 463 C THR A 671 -6.561 1.470 -6.412 1.00 0.00 C ATOM 464 O THR A 671 -6.821 0.644 -5.542 1.00 0.00 O ATOM 465 CB THR A 671 -5.652 0.458 -8.525 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.531 -0.385 -8.836 1.00 0.00 O ATOM 467 CG2 THR A 671 -5.978 1.343 -9.721 1.00 0.00 C ATOM 0 H THR A 671 -4.284 -0.305 -6.457 1.00 0.00 H new ATOM 0 HA THR A 671 -4.993 2.296 -7.618 1.00 0.00 H new ATOM 0 HB THR A 671 -6.526 -0.155 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.740 -0.930 -9.623 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.209 0.718 -10.584 1.00 0.00 H new ATOM 0 HG22 THR A 671 -6.839 1.969 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.120 1.976 -9.950 1.00 0.00 H new ATOM 475 N VAL A 672 -7.305 2.543 -6.618 1.00 0.00 N ATOM 476 CA VAL A 672 -8.517 2.781 -5.849 1.00 0.00 C ATOM 477 C VAL A 672 -9.720 2.844 -6.779 1.00 0.00 C ATOM 478 O VAL A 672 -9.707 3.575 -7.770 1.00 0.00 O ATOM 479 CB VAL A 672 -8.438 4.090 -5.031 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.449 4.071 -3.893 1.00 0.00 C ATOM 481 CG2 VAL A 672 -7.031 4.318 -4.492 1.00 0.00 C ATOM 0 H VAL A 672 -7.093 3.262 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.624 1.951 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.681 4.917 -5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.379 5.001 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.455 3.970 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -9.239 3.229 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -7.006 5.246 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.750 3.487 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.329 4.385 -5.323 1.00 0.00 H new ATOM 491 N ILE A 673 -10.755 2.086 -6.459 1.00 0.00 N ATOM 492 CA ILE A 673 -11.943 2.035 -7.295 1.00 0.00 C ATOM 493 C ILE A 673 -12.875 3.189 -6.958 1.00 0.00 C ATOM 494 O ILE A 673 -13.284 3.362 -5.811 1.00 0.00 O ATOM 495 CB ILE A 673 -12.688 0.689 -7.147 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.931 -0.415 -7.901 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.122 0.801 -7.661 1.00 0.00 C ATOM 498 CD1 ILE A 673 -11.021 -1.249 -7.020 1.00 0.00 C ATOM 0 H ILE A 673 -10.797 1.498 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.621 2.125 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.729 0.430 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.654 -1.072 -8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.336 0.041 -8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.626 -0.159 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.655 1.561 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.110 1.081 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.522 -2.006 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.274 -0.605 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.612 -1.736 -6.244 1.00 0.00 H new ATOM 510 N ASP A 674 -13.188 3.986 -7.965 1.00 0.00 N ATOM 511 CA ASP A 674 -14.040 5.151 -7.791 1.00 0.00 C ATOM 512 C ASP A 674 -15.510 4.746 -7.713 1.00 0.00 C ATOM 513 O ASP A 674 -16.255 4.879 -8.687 1.00 0.00 O ATOM 514 CB ASP A 674 -13.830 6.116 -8.960 1.00 0.00 C ATOM 515 CG ASP A 674 -14.163 7.552 -8.612 1.00 0.00 C ATOM 516 OD1 ASP A 674 -13.270 8.271 -8.120 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.314 7.976 -8.845 1.00 0.00 O ATOM 0 H ASP A 674 -12.861 3.846 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.771 5.641 -6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -12.792 6.059 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -14.448 5.799 -9.800 1.00 0.00 H new ATOM 522 N THR A 675 -15.924 4.246 -6.560 1.00 0.00 N ATOM 523 CA THR A 675 -17.311 3.860 -6.351 1.00 0.00 C ATOM 524 C THR A 675 -18.139 5.038 -5.847 1.00 0.00 C ATOM 525 O THR A 675 -18.608 5.039 -4.709 1.00 0.00 O ATOM 526 CB THR A 675 -17.420 2.695 -5.349 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.117 2.327 -4.876 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.092 1.492 -5.994 1.00 0.00 C ATOM 0 H THR A 675 -15.318 4.098 -5.753 1.00 0.00 H new ATOM 0 HA THR A 675 -17.703 3.536 -7.315 1.00 0.00 H new ATOM 0 HB THR A 675 -18.028 3.024 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.185 1.993 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.159 0.681 -5.269 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.094 1.768 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.505 1.164 -6.852 1.00 0.00 H new ATOM 806 N TRP A 20 -21.373 -9.510 -3.626 1.00 0.00 N ATOM 807 CA TRP A 20 -20.437 -8.558 -4.229 1.00 0.00 C ATOM 808 C TRP A 20 -19.031 -9.147 -4.320 1.00 0.00 C ATOM 809 O TRP A 20 -18.715 -9.904 -5.243 1.00 0.00 O ATOM 810 CB TRP A 20 -20.391 -7.222 -3.467 1.00 0.00 C ATOM 811 CG TRP A 20 -21.667 -6.831 -2.787 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.906 -6.717 -3.349 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.816 -6.487 -1.407 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.817 -6.325 -2.397 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.171 -6.179 -1.198 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.933 -6.412 -0.327 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.665 -5.805 0.046 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.424 -6.039 0.909 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.779 -5.742 1.084 1.00 0.00 C ATOM 0 HA TRP A 20 -20.807 -8.359 -5.235 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.601 -7.276 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.114 -6.433 -4.166 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.136 -6.907 -4.387 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.812 -6.168 -2.557 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.886 -6.641 -0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.710 -5.573 0.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.752 -5.976 1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.134 -5.456 2.063 1.00 0.00 H new ATOM 830 N LYS A 21 -18.197 -8.801 -3.359 1.00 0.00 N ATOM 831 CA LYS A 21 -16.824 -9.265 -3.323 1.00 0.00 C ATOM 832 C LYS A 21 -16.431 -9.639 -1.903 1.00 0.00 C ATOM 833 O LYS A 21 -16.787 -8.946 -0.948 1.00 0.00 O ATOM 834 CB LYS A 21 -15.881 -8.182 -3.847 1.00 0.00 C ATOM 835 CG LYS A 21 -15.162 -8.567 -5.128 1.00 0.00 C ATOM 836 CD LYS A 21 -16.009 -8.257 -6.349 1.00 0.00 C ATOM 837 CE LYS A 21 -15.868 -9.335 -7.409 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.100 -10.160 -7.537 1.00 0.00 N ATOM 0 H LYS A 21 -18.452 -8.191 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.743 -10.145 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.451 -7.269 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.141 -7.954 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.216 -8.029 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.923 -9.630 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.055 -8.168 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.712 -7.294 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.642 -8.871 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.025 -9.980 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.838 -11.157 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.672 -10.066 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.653 -9.834 -8.355 1.00 0.00 H new ATOM 852 N ARG A 22 -15.714 -10.741 -1.775 1.00 0.00 N ATOM 853 CA ARG A 22 -15.184 -11.168 -0.494 1.00 0.00 C ATOM 854 C ARG A 22 -13.739 -10.713 -0.371 1.00 0.00 C ATOM 855 O ARG A 22 -12.939 -10.929 -1.284 1.00 0.00 O ATOM 856 CB ARG A 22 -15.271 -12.689 -0.360 1.00 0.00 C ATOM 857 CG ARG A 22 -16.092 -13.144 0.831 1.00 0.00 C ATOM 858 CD ARG A 22 -17.578 -12.919 0.607 1.00 0.00 C ATOM 859 NE ARG A 22 -18.307 -12.815 1.869 1.00 0.00 N ATOM 860 CZ ARG A 22 -19.214 -13.700 2.280 1.00 0.00 C ATOM 861 NH1 ARG A 22 -19.532 -14.732 1.512 1.00 0.00 N ATOM 862 NH2 ARG A 22 -19.802 -13.550 3.460 1.00 0.00 N ATOM 0 H ARG A 22 -15.484 -11.361 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.775 -10.720 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.706 -13.102 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.264 -13.097 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.908 -14.202 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.772 -12.603 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.724 -12.008 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.985 -13.741 0.018 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.109 -12.016 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.082 -14.850 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.227 -15.408 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.560 -12.757 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.496 -14.228 3.774 1.00 0.00 H new ATOM 876 N CYS A 23 -13.409 -10.077 0.742 1.00 0.00 N ATOM 877 CA CYS A 23 -12.086 -9.512 0.917 1.00 0.00 C ATOM 878 C CYS A 23 -11.079 -10.570 1.375 1.00 0.00 C ATOM 879 O CYS A 23 -11.448 -11.587 1.970 1.00 0.00 O ATOM 880 CB CYS A 23 -12.145 -8.305 1.859 1.00 0.00 C ATOM 881 SG CYS A 23 -12.482 -8.647 3.619 1.00 0.00 S ATOM 0 H CYS A 23 -14.038 -9.941 1.533 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.729 -9.155 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.194 -7.776 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.914 -7.626 1.492 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.448 -8.313 4.332 1.00 0.00 H new ATOM 886 N ALA A 24 -9.806 -10.327 1.074 1.00 0.00 N ATOM 887 CA ALA A 24 -8.762 -11.333 1.250 1.00 0.00 C ATOM 888 C ALA A 24 -8.157 -11.314 2.651 1.00 0.00 C ATOM 889 O ALA A 24 -7.564 -12.304 3.091 1.00 0.00 O ATOM 890 CB ALA A 24 -7.674 -11.137 0.205 1.00 0.00 C ATOM 0 H ALA A 24 -9.471 -9.437 0.705 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.229 -12.309 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.898 -11.890 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.105 -11.236 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.239 -10.144 0.315 1.00 0.00 H new ATOM 896 N GLY A 25 -8.282 -10.196 3.344 1.00 0.00 N ATOM 897 CA GLY A 25 -7.736 -10.097 4.682 1.00 0.00 C ATOM 898 C GLY A 25 -8.672 -10.679 5.718 1.00 0.00 C ATOM 899 O GLY A 25 -8.481 -11.811 6.175 1.00 0.00 O ATOM 0 H GLY A 25 -8.751 -9.355 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.780 -10.618 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.539 -9.051 4.917 1.00 0.00 H new ATOM 903 N CYS A 26 -9.678 -9.895 6.088 1.00 0.00 N ATOM 904 CA CYS A 26 -10.701 -10.330 7.028 1.00 0.00 C ATOM 905 C CYS A 26 -11.448 -11.555 6.508 1.00 0.00 C ATOM 906 O CYS A 26 -11.551 -12.572 7.193 1.00 0.00 O ATOM 907 CB CYS A 26 -11.686 -9.188 7.284 1.00 0.00 C ATOM 908 SG CYS A 26 -10.998 -7.532 6.946 1.00 0.00 S ATOM 0 H CYS A 26 -9.806 -8.943 5.745 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.210 -10.606 7.961 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.570 -9.337 6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.014 -9.230 8.323 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.582 -7.024 5.901 1.00 0.00 H new ATOM 913 N GLY A 27 -11.964 -11.447 5.295 1.00 0.00 N ATOM 914 CA GLY A 27 -12.695 -12.545 4.707 1.00 0.00 C ATOM 915 C GLY A 27 -14.191 -12.330 4.770 1.00 0.00 C ATOM 916 O GLY A 27 -14.944 -13.247 5.104 1.00 0.00 O ATOM 0 H GLY A 27 -11.889 -10.617 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.390 -12.668 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.440 -13.469 5.226 1.00 0.00 H new ATOM 920 N GLY A 28 -14.622 -11.121 4.449 1.00 0.00 N ATOM 921 CA GLY A 28 -16.035 -10.811 4.454 1.00 0.00 C ATOM 922 C GLY A 28 -16.424 -10.019 3.229 1.00 0.00 C ATOM 923 O GLY A 28 -15.561 -9.645 2.439 1.00 0.00 O ATOM 0 H GLY A 28 -14.015 -10.345 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.613 -11.735 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.282 -10.243 5.351 1.00 0.00 H new ATOM 927 N LYS A 29 -17.713 -9.773 3.047 1.00 0.00 N ATOM 928 CA LYS A 29 -18.162 -8.972 1.920 1.00 0.00 C ATOM 929 C LYS A 29 -17.782 -7.513 2.148 1.00 0.00 C ATOM 930 O LYS A 29 -18.074 -6.947 3.203 1.00 0.00 O ATOM 931 CB LYS A 29 -19.675 -9.120 1.704 1.00 0.00 C ATOM 932 CG LYS A 29 -20.524 -8.846 2.939 1.00 0.00 C ATOM 933 CD LYS A 29 -21.727 -9.774 3.001 1.00 0.00 C ATOM 934 CE LYS A 29 -22.692 -9.503 1.861 1.00 0.00 C ATOM 935 NZ LYS A 29 -24.104 -9.743 2.254 1.00 0.00 N ATOM 0 H LYS A 29 -18.457 -10.112 3.657 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.669 -9.329 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.983 -8.440 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.881 -10.132 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.917 -8.974 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -20.862 -7.810 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.392 -10.810 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -22.241 -9.644 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -22.579 -8.471 1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.439 -10.140 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.728 -9.546 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.219 -10.734 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.355 -9.117 3.046 1.00 0.00 H new ATOM 949 N ILE A 30 -17.098 -6.924 1.181 1.00 0.00 N ATOM 950 CA ILE A 30 -16.617 -5.557 1.317 1.00 0.00 C ATOM 951 C ILE A 30 -17.781 -4.576 1.387 1.00 0.00 C ATOM 952 O ILE A 30 -18.469 -4.328 0.393 1.00 0.00 O ATOM 953 CB ILE A 30 -15.673 -5.168 0.159 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.407 -6.026 0.195 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.308 -3.690 0.229 1.00 0.00 C ATOM 956 CD1 ILE A 30 -14.027 -6.594 -1.153 1.00 0.00 C ATOM 0 H ILE A 30 -16.863 -7.369 0.294 1.00 0.00 H new ATOM 0 HA ILE A 30 -16.053 -5.506 2.248 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.195 -5.348 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.580 -5.425 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.553 -6.846 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.642 -3.440 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.214 -3.088 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.806 -3.483 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.121 -7.191 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.837 -7.222 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.849 -5.779 -1.854 1.00 0.00 H new ATOM 968 N ALA A 31 -17.994 -4.024 2.573 1.00 0.00 N ATOM 969 CA ALA A 31 -19.047 -3.049 2.781 1.00 0.00 C ATOM 970 C ALA A 31 -18.465 -1.653 2.926 1.00 0.00 C ATOM 971 O ALA A 31 -19.133 -0.727 3.391 1.00 0.00 O ATOM 972 CB ALA A 31 -19.885 -3.422 3.996 1.00 0.00 C ATOM 0 H ALA A 31 -17.447 -4.238 3.407 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.698 -3.051 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.671 -2.680 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.336 -4.402 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.250 -3.451 4.881 1.00 0.00 H new ATOM 978 N ASP A 32 -17.205 -1.510 2.539 1.00 0.00 N ATOM 979 CA ASP A 32 -16.582 -0.196 2.470 1.00 0.00 C ATOM 980 C ASP A 32 -17.021 0.482 1.182 1.00 0.00 C ATOM 981 O ASP A 32 -17.401 -0.198 0.225 1.00 0.00 O ATOM 982 CB ASP A 32 -15.056 -0.304 2.521 1.00 0.00 C ATOM 983 CG ASP A 32 -14.482 0.143 3.853 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.562 1.348 4.167 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.938 -0.712 4.591 1.00 0.00 O ATOM 0 H ASP A 32 -16.597 -2.283 2.269 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.896 0.395 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.762 -1.336 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.626 0.301 1.723 1.00 0.00 H new ATOM 990 N ARG A 33 -16.984 1.805 1.145 1.00 0.00 N ATOM 991 CA ARG A 33 -17.437 2.531 -0.032 1.00 0.00 C ATOM 992 C ARG A 33 -16.429 2.383 -1.165 1.00 0.00 C ATOM 993 O ARG A 33 -16.776 1.944 -2.264 1.00 0.00 O ATOM 994 CB ARG A 33 -17.660 4.014 0.285 1.00 0.00 C ATOM 995 CG ARG A 33 -17.992 4.851 -0.943 1.00 0.00 C ATOM 996 CD ARG A 33 -18.813 6.080 -0.592 1.00 0.00 C ATOM 997 NE ARG A 33 -18.032 7.314 -0.694 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.181 8.369 0.111 1.00 0.00 C ATOM 999 NH1 ARG A 33 -19.070 8.345 1.096 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -17.439 9.455 -0.073 1.00 0.00 N ATOM 0 H ARG A 33 -16.649 2.393 1.908 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.389 2.103 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.470 4.106 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.764 4.416 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.068 5.160 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.542 4.241 -1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.675 6.141 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.199 5.979 0.422 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.327 7.372 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.646 7.516 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.177 9.155 1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.755 9.483 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.553 10.261 0.542 1.00 0.00 H new ATOM 1014 N PHE A 34 -15.185 2.741 -0.891 1.00 0.00 N ATOM 1015 CA PHE A 34 -14.144 2.686 -1.902 1.00 0.00 C ATOM 1016 C PHE A 34 -13.281 1.445 -1.728 1.00 0.00 C ATOM 1017 O PHE A 34 -12.686 1.228 -0.672 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.292 3.957 -1.862 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.824 5.041 -2.754 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.144 5.447 -2.658 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.010 5.638 -3.700 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -15.645 6.430 -3.486 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -13.503 6.623 -4.530 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.822 7.019 -4.426 1.00 0.00 C ATOM 0 H PHE A 34 -14.873 3.072 0.022 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.620 2.624 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.245 4.326 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.272 3.715 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.790 4.988 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.979 5.330 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.677 6.738 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.857 7.085 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 34 -15.209 7.788 -5.078 1.00 0.00 H new ATOM 1034 N LEU A 35 -13.229 0.631 -2.770 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.437 -0.586 -2.745 1.00 0.00 C ATOM 1036 C LEU A 35 -11.062 -0.313 -3.333 1.00 0.00 C ATOM 1037 O LEU A 35 -10.901 0.575 -4.172 1.00 0.00 O ATOM 1038 CB LEU A 35 -13.135 -1.726 -3.506 1.00 0.00 C ATOM 1039 CG LEU A 35 -14.279 -1.309 -4.438 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -14.397 -2.288 -5.596 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.596 -1.227 -3.681 1.00 0.00 C ATOM 0 H LEU A 35 -13.727 0.792 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.328 -0.905 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.386 -2.254 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.526 -2.436 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.052 -0.319 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.213 -1.981 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.464 -2.299 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.599 -3.287 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.391 -0.929 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.831 -2.202 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.511 -0.491 -2.881 1.00 0.00 H new ATOM 1053 N LEU A 36 -10.073 -1.064 -2.884 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.701 -0.841 -3.301 1.00 0.00 C ATOM 1055 C LEU A 36 -8.123 -2.068 -3.995 1.00 0.00 C ATOM 1056 O LEU A 36 -8.659 -3.171 -3.883 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.836 -0.466 -2.098 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.945 0.994 -1.661 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.682 1.102 -0.336 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.566 1.622 -1.555 1.00 0.00 C ATOM 0 H LEU A 36 -10.195 -1.836 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.701 -0.018 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.111 -1.104 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.794 -0.683 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.514 1.536 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.749 2.149 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.685 0.690 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.140 0.544 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.663 2.662 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.973 1.076 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.071 1.579 -2.525 1.00 0.00 H new ATOM 1072 N TYR A 37 -7.032 -1.853 -4.707 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.323 -2.908 -5.406 1.00 0.00 C ATOM 1074 C TYR A 37 -4.921 -3.047 -4.834 1.00 0.00 C ATOM 1075 O TYR A 37 -4.334 -2.068 -4.375 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.219 -2.570 -6.894 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.117 -3.386 -7.796 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.219 -4.765 -7.660 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.846 -2.769 -8.800 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.027 -5.506 -8.504 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.657 -3.497 -9.645 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.745 -4.867 -9.497 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.551 -5.597 -10.347 1.00 0.00 O ATOM 0 H TYR A 37 -6.609 -0.931 -4.817 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.870 -3.843 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.455 -1.514 -7.029 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.186 -2.709 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.659 -5.266 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.778 -1.698 -8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.096 -6.577 -8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.221 -2.998 -10.419 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.466 -5.614 -9.996 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.393 -4.257 -4.863 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.022 -4.501 -4.441 1.00 0.00 C ATOM 1095 C ALA A 38 -2.349 -5.451 -5.416 1.00 0.00 C ATOM 1096 O ALA A 38 -1.531 -5.043 -6.238 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.989 -5.071 -3.032 1.00 0.00 C ATOM 0 H ALA A 38 -4.893 -5.090 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.480 -3.555 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.955 -5.247 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.450 -4.364 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.538 -6.012 -3.007 1.00 0.00 H new ATOM 1103 N MET A 39 -2.712 -6.720 -5.327 1.00 0.00 N ATOM 1104 CA MET A 39 -2.253 -7.709 -6.283 1.00 0.00 C ATOM 1105 C MET A 39 -3.252 -7.804 -7.429 1.00 0.00 C ATOM 1106 O MET A 39 -3.021 -7.264 -8.511 1.00 0.00 O ATOM 1107 CB MET A 39 -2.085 -9.068 -5.605 1.00 0.00 C ATOM 1108 CG MET A 39 -0.637 -9.450 -5.360 1.00 0.00 C ATOM 1109 SD MET A 39 -0.436 -10.499 -3.907 1.00 0.00 S ATOM 1110 CE MET A 39 -1.017 -9.407 -2.608 1.00 0.00 C ATOM 0 H MET A 39 -3.325 -7.088 -4.600 1.00 0.00 H new ATOM 0 HA MET A 39 -1.283 -7.406 -6.677 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.615 -9.058 -4.653 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.554 -9.833 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.249 -9.970 -6.236 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.042 -8.545 -5.236 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.295 -9.396 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.132 -8.398 -3.005 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.978 -9.762 -2.237 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.367 -8.475 -7.168 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.451 -8.599 -8.133 1.00 0.00 C ATOM 1122 C ASP A 40 -6.782 -8.748 -7.406 1.00 0.00 C ATOM 1123 O ASP A 40 -7.837 -8.876 -8.022 1.00 0.00 O ATOM 1124 CB ASP A 40 -5.220 -9.810 -9.035 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.697 -9.583 -10.456 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -5.809 -8.415 -10.873 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.942 -10.583 -11.170 1.00 0.00 O ATOM 0 H ASP A 40 -4.545 -8.948 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.476 -7.699 -8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.157 -10.051 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.737 -10.673 -8.616 1.00 0.00 H new ATOM 1132 N SER A 41 -6.718 -8.739 -6.081 1.00 0.00 N ATOM 1133 CA SER A 41 -7.899 -8.892 -5.256 1.00 0.00 C ATOM 1134 C SER A 41 -8.512 -7.531 -4.948 1.00 0.00 C ATOM 1135 O SER A 41 -7.889 -6.498 -5.195 1.00 0.00 O ATOM 1136 CB SER A 41 -7.498 -9.600 -3.968 1.00 0.00 C ATOM 1137 OG SER A 41 -6.081 -9.686 -3.877 1.00 0.00 O ATOM 0 H SER A 41 -5.851 -8.626 -5.555 1.00 0.00 H new ATOM 0 HA SER A 41 -8.647 -9.483 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.893 -9.059 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.933 -10.599 -3.943 1.00 0.00 H new ATOM 0 HG SER A 41 -5.772 -9.181 -3.096 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.726 -7.534 -4.412 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.408 -6.301 -4.049 1.00 0.00 C ATOM 1145 C TYR A 42 -10.346 -6.107 -2.541 1.00 0.00 C ATOM 1146 O TYR A 42 -10.762 -6.977 -1.778 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.861 -6.329 -4.539 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.989 -6.193 -6.041 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.631 -7.234 -6.887 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.464 -5.021 -6.612 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.743 -7.111 -8.256 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.577 -4.889 -7.982 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.218 -5.937 -8.798 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.320 -5.808 -10.165 1.00 0.00 O ATOM 0 H TYR A 42 -10.260 -8.382 -4.219 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.909 -5.460 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.325 -7.264 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.414 -5.522 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.258 -8.156 -6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.750 -4.198 -5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.460 -7.931 -8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.945 -3.968 -8.410 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.673 -4.920 -10.384 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.799 -4.977 -2.118 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.575 -4.715 -0.705 1.00 0.00 C ATOM 1166 C TRP A 43 -10.355 -3.493 -0.242 1.00 0.00 C ATOM 1167 O TRP A 43 -11.059 -2.854 -1.023 1.00 0.00 O ATOM 1168 CB TRP A 43 -8.082 -4.491 -0.425 1.00 0.00 C ATOM 1169 CG TRP A 43 -7.171 -5.449 -1.137 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.891 -5.470 -2.471 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.407 -6.509 -0.554 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -6.022 -6.489 -2.755 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.707 -7.138 -1.596 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.252 -6.989 0.747 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.865 -8.224 -1.381 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.416 -8.070 0.960 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.732 -8.676 -0.102 1.00 0.00 C ATOM 0 H TRP A 43 -9.501 -4.223 -2.737 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.923 -5.589 -0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.818 -3.474 -0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.909 -4.572 0.648 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.296 -4.782 -3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.668 -6.725 -3.682 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.774 -6.526 1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.336 -8.692 -2.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.288 -8.453 1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.086 -9.518 0.097 1.00 0.00 H new ATOM 1188 N HIS A 44 -10.208 -3.180 1.031 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.820 -2.004 1.633 1.00 0.00 C ATOM 1190 C HIS A 44 -9.882 -1.460 2.710 1.00 0.00 C ATOM 1191 O HIS A 44 -8.750 -1.929 2.834 1.00 0.00 O ATOM 1192 CB HIS A 44 -12.203 -2.340 2.230 1.00 0.00 C ATOM 1193 CG HIS A 44 -12.178 -3.449 3.236 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.671 -3.350 4.526 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.639 -4.683 3.134 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.406 -4.515 5.154 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.780 -5.336 4.339 1.00 0.00 N ATOM 0 H HIS A 44 -9.657 -3.737 1.684 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.976 -1.246 0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.612 -1.446 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.880 -2.612 1.421 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -13.148 -2.543 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.172 -5.092 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.670 -4.740 6.177 1.00 0.00 H new ATOM 1205 N SER A 45 -10.353 -0.493 3.483 1.00 0.00 N ATOM 1206 CA SER A 45 -9.548 0.153 4.518 1.00 0.00 C ATOM 1207 C SER A 45 -8.866 -0.853 5.456 1.00 0.00 C ATOM 1208 O SER A 45 -7.660 -0.782 5.672 1.00 0.00 O ATOM 1209 CB SER A 45 -10.435 1.106 5.316 1.00 0.00 C ATOM 1210 OG SER A 45 -11.521 1.558 4.519 1.00 0.00 O ATOM 0 H SER A 45 -11.304 -0.131 3.413 1.00 0.00 H new ATOM 0 HA SER A 45 -8.748 0.704 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.814 0.602 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.848 1.958 5.659 1.00 0.00 H new ATOM 0 HG SER A 45 -12.081 2.166 5.044 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.631 -1.801 5.989 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.097 -2.750 6.966 1.00 0.00 C ATOM 1218 C ARG A 46 -8.261 -3.851 6.317 1.00 0.00 C ATOM 1219 O ARG A 46 -7.591 -4.612 7.011 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.236 -3.387 7.763 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.012 -3.331 9.261 1.00 0.00 C ATOM 1222 CD ARG A 46 -11.173 -2.657 9.971 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.482 -1.361 9.377 1.00 0.00 N ATOM 1224 CZ ARG A 46 -12.586 -1.103 8.680 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -13.535 -2.021 8.548 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -12.743 0.089 8.126 1.00 0.00 N ATOM 0 H ARG A 46 -10.617 -1.934 5.764 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.444 -2.183 7.629 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.170 -2.879 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.350 -4.427 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.884 -4.341 9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.090 -2.789 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.052 -3.299 9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.930 -2.527 11.026 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.809 -0.605 9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.423 -2.937 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.377 -1.811 8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.021 0.801 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.586 0.295 7.590 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.320 -3.957 5.000 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.607 -5.017 4.304 1.00 0.00 C ATOM 1242 C CYS A 47 -6.321 -4.519 3.651 1.00 0.00 C ATOM 1243 O CYS A 47 -5.285 -5.182 3.721 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.514 -5.663 3.267 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.047 -7.334 3.732 1.00 0.00 S ATOM 0 H CYS A 47 -8.849 -3.329 4.395 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.320 -5.760 5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.393 -5.035 3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.990 -5.707 2.312 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.760 -7.276 4.818 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.395 -3.358 3.018 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.260 -2.803 2.298 1.00 0.00 C ATOM 1252 C LEU A 48 -4.248 -2.199 3.275 1.00 0.00 C ATOM 1253 O LEU A 48 -4.095 -0.979 3.371 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.747 -1.756 1.288 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.975 -1.703 -0.039 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.610 -1.076 0.144 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -4.829 -3.091 -0.629 1.00 0.00 C ATOM 0 H LEU A 48 -7.235 -2.779 2.989 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.758 -3.602 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.797 -1.950 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.695 -0.773 1.757 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.549 -1.083 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.089 -1.053 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.724 -0.059 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.032 -1.664 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.279 -3.031 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.286 -3.728 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.817 -3.514 -0.813 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.562 -3.068 3.999 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.601 -2.646 5.002 1.00 0.00 C ATOM 1271 C LYS A 49 -1.392 -3.571 5.010 1.00 0.00 C ATOM 1272 O LYS A 49 -1.434 -4.666 4.447 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.244 -2.632 6.396 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.334 -3.679 6.595 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.758 -5.035 6.986 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.842 -6.097 7.065 1.00 0.00 C ATOM 1277 NZ LYS A 49 -4.321 -7.461 6.771 1.00 0.00 N ATOM 0 H LYS A 49 -3.655 -4.080 3.908 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.276 -1.637 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.466 -2.788 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.668 -1.644 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.024 -3.342 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.911 -3.781 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.005 -5.336 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.255 -4.954 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.285 -6.087 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.637 -5.855 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.097 -8.151 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.921 -7.480 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.581 -7.706 7.459 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.325 -3.112 5.643 1.00 0.00 N ATOM 1292 CA CYS A 50 0.851 -3.929 5.873 1.00 0.00 C ATOM 1293 C CYS A 50 0.471 -5.141 6.715 1.00 0.00 C ATOM 1294 O CYS A 50 -0.202 -5.011 7.737 1.00 0.00 O ATOM 1295 CB CYS A 50 1.914 -3.089 6.590 1.00 0.00 C ATOM 1296 SG CYS A 50 3.501 -3.930 6.905 1.00 0.00 S ATOM 0 H CYS A 50 -0.251 -2.163 6.011 1.00 0.00 H new ATOM 0 HA CYS A 50 1.255 -4.277 4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.108 -2.196 5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.505 -2.754 7.543 1.00 0.00 H new ATOM 0 HG CYS A 50 4.425 -3.043 7.129 1.00 0.00 H new ATOM 1301 N SER A 51 0.893 -6.318 6.293 1.00 0.00 N ATOM 1302 CA SER A 51 0.587 -7.533 7.030 1.00 0.00 C ATOM 1303 C SER A 51 1.515 -7.668 8.234 1.00 0.00 C ATOM 1304 O SER A 51 1.334 -8.542 9.083 1.00 0.00 O ATOM 1305 CB SER A 51 0.714 -8.749 6.111 1.00 0.00 C ATOM 1306 OG SER A 51 0.166 -8.475 4.829 1.00 0.00 O ATOM 0 H SER A 51 1.446 -6.460 5.448 1.00 0.00 H new ATOM 0 HA SER A 51 -0.439 -7.479 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.763 -9.026 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.200 -9.601 6.556 1.00 0.00 H new ATOM 0 HG SER A 51 0.792 -7.920 4.318 1.00 0.00 H new ATOM 1312 N SER A 52 2.495 -6.778 8.311 1.00 0.00 N ATOM 1313 CA SER A 52 3.497 -6.843 9.358 1.00 0.00 C ATOM 1314 C SER A 52 3.175 -5.884 10.510 1.00 0.00 C ATOM 1315 O SER A 52 3.124 -6.307 11.664 1.00 0.00 O ATOM 1316 CB SER A 52 4.874 -6.545 8.767 1.00 0.00 C ATOM 1317 OG SER A 52 5.871 -7.414 9.284 1.00 0.00 O ATOM 0 H SER A 52 2.615 -6.003 7.659 1.00 0.00 H new ATOM 0 HA SER A 52 3.496 -7.851 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.833 -6.644 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.146 -5.512 8.982 1.00 0.00 H new ATOM 0 HG SER A 52 6.690 -6.905 9.460 1.00 0.00 H new ATOM 1323 N CYS A 53 2.924 -4.609 10.209 1.00 0.00 N ATOM 1324 CA CYS A 53 2.641 -3.637 11.268 1.00 0.00 C ATOM 1325 C CYS A 53 1.203 -3.128 11.197 1.00 0.00 C ATOM 1326 O CYS A 53 0.758 -2.374 12.070 1.00 0.00 O ATOM 1327 CB CYS A 53 3.631 -2.466 11.222 1.00 0.00 C ATOM 1328 SG CYS A 53 3.529 -1.420 9.733 1.00 0.00 S ATOM 0 H CYS A 53 2.910 -4.230 9.262 1.00 0.00 H new ATOM 0 HA CYS A 53 2.764 -4.153 12.220 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.468 -1.839 12.099 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.643 -2.864 11.298 1.00 0.00 H new ATOM 0 HG CYS A 53 3.513 -2.173 8.674 1.00 0.00 H new ATOM 1333 N GLN A 54 0.486 -3.556 10.161 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.918 -3.193 9.962 1.00 0.00 C ATOM 1335 C GLN A 54 -1.072 -1.705 9.666 1.00 0.00 C ATOM 1336 O GLN A 54 -2.022 -1.065 10.118 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.770 -3.586 11.176 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.893 -5.086 11.377 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.091 -5.681 10.662 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -2.967 -6.677 9.950 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.261 -5.082 10.847 1.00 0.00 N ATOM 0 H GLN A 54 0.861 -4.165 9.434 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.276 -3.750 9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.336 -3.143 12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.767 -3.161 11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.985 -5.571 11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.970 -5.300 12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.323 -4.258 11.445 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.098 -5.446 10.391 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.136 -1.153 8.911 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.232 0.232 8.485 1.00 0.00 C ATOM 1352 C ALA A 55 -0.936 0.317 7.138 1.00 0.00 C ATOM 1353 O ALA A 55 -0.633 -0.452 6.226 1.00 0.00 O ATOM 1354 CB ALA A 55 1.146 0.866 8.408 1.00 0.00 C ATOM 0 H ALA A 55 0.696 -1.642 8.582 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.818 0.783 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.052 1.903 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.618 0.831 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.759 0.319 7.692 1.00 0.00 H new ATOM 1360 N GLN A 56 -1.882 1.238 7.020 1.00 0.00 N ATOM 1361 CA GLN A 56 -2.629 1.409 5.784 1.00 0.00 C ATOM 1362 C GLN A 56 -1.731 1.940 4.672 1.00 0.00 C ATOM 1363 O GLN A 56 -1.059 2.957 4.839 1.00 0.00 O ATOM 1364 CB GLN A 56 -3.802 2.360 6.009 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.152 1.713 5.784 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.584 1.786 4.336 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.179 2.680 3.595 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.407 0.843 3.916 1.00 0.00 N ATOM 0 H GLN A 56 -2.150 1.879 7.767 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.011 0.435 5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.757 2.746 7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.701 3.215 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.110 0.670 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.898 2.204 6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.722 0.117 4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.728 0.840 2.948 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.714 1.247 3.543 1.00 0.00 N ATOM 1378 CA LEU A 57 -0.902 1.666 2.407 1.00 0.00 C ATOM 1379 C LEU A 57 -1.769 2.269 1.306 1.00 0.00 C ATOM 1380 O LEU A 57 -1.270 2.671 0.257 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.106 0.480 1.859 1.00 0.00 C ATOM 1382 CG LEU A 57 0.917 -0.111 2.827 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.893 -1.626 2.763 1.00 0.00 C ATOM 1384 CD2 LEU A 57 2.309 0.408 2.511 1.00 0.00 C ATOM 0 H LEU A 57 -2.251 0.394 3.388 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.208 2.432 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.805 -0.304 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.413 0.796 0.954 1.00 0.00 H new ATOM 0 HG LEU A 57 0.653 0.198 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.628 -2.031 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.100 -1.986 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.134 -1.951 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.025 -0.023 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.580 0.126 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.322 1.494 2.602 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.070 2.338 1.558 1.00 0.00 N ATOM 1397 CA GLY A 58 -3.990 2.844 0.562 1.00 0.00 C ATOM 1398 C GLY A 58 -4.233 4.332 0.697 1.00 0.00 C ATOM 1399 O GLY A 58 -4.077 5.086 -0.263 1.00 0.00 O ATOM 0 H GLY A 58 -3.503 2.052 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.596 2.633 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.939 2.315 0.648 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.610 4.758 1.897 1.00 0.00 N ATOM 1404 CA ASP A 59 -4.903 6.169 2.156 1.00 0.00 C ATOM 1405 C ASP A 59 -3.636 6.939 2.495 1.00 0.00 C ATOM 1406 O ASP A 59 -3.679 8.104 2.890 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.926 6.307 3.286 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.677 7.627 3.252 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -6.706 8.281 2.186 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.255 8.008 4.295 1.00 0.00 O ATOM 0 H ASP A 59 -4.721 4.149 2.708 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.326 6.595 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.641 5.487 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.415 6.211 4.244 1.00 0.00 H new ATOM 1415 N ILE A 60 -2.513 6.275 2.336 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.216 6.890 2.551 1.00 0.00 C ATOM 1417 C ILE A 60 -0.383 6.738 1.287 1.00 0.00 C ATOM 1418 O ILE A 60 -0.480 5.720 0.600 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.464 6.262 3.751 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.391 6.138 4.971 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.774 7.082 4.101 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -1.681 7.454 5.665 1.00 0.00 C ATOM 0 H ILE A 60 -2.470 5.296 2.055 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.374 7.943 2.783 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.142 5.261 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.333 5.692 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.939 5.453 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.287 6.623 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.445 7.113 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.476 8.097 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.341 7.280 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.747 7.894 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.163 8.136 4.965 1.00 0.00 H new ATOM 1434 N GLY A 61 0.411 7.751 0.971 1.00 0.00 N ATOM 1435 CA GLY A 61 1.213 7.728 -0.242 1.00 0.00 C ATOM 1436 C GLY A 61 2.435 6.825 -0.148 1.00 0.00 C ATOM 1437 O GLY A 61 3.513 7.180 -0.627 1.00 0.00 O ATOM 0 H GLY A 61 0.516 8.594 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.590 7.397 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.538 8.743 -0.472 1.00 0.00 H new ATOM 1441 N THR A 62 2.276 5.670 0.479 1.00 0.00 N ATOM 1442 CA THR A 62 3.346 4.694 0.572 1.00 0.00 C ATOM 1443 C THR A 62 3.143 3.575 -0.443 1.00 0.00 C ATOM 1444 O THR A 62 2.075 2.965 -0.497 1.00 0.00 O ATOM 1445 CB THR A 62 3.421 4.080 1.983 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.311 4.533 2.771 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.727 4.458 2.670 1.00 0.00 C ATOM 0 H THR A 62 1.408 5.386 0.934 1.00 0.00 H new ATOM 0 HA THR A 62 4.279 5.216 0.361 1.00 0.00 H new ATOM 0 HB THR A 62 3.382 2.995 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.363 4.138 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.757 4.013 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.567 4.089 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.792 5.543 2.756 1.00 0.00 H new ATOM 1455 N SER A 63 4.155 3.321 -1.258 1.00 0.00 N ATOM 1456 CA SER A 63 4.110 2.210 -2.192 1.00 0.00 C ATOM 1457 C SER A 63 4.398 0.905 -1.459 1.00 0.00 C ATOM 1458 O SER A 63 5.454 0.750 -0.846 1.00 0.00 O ATOM 1459 CB SER A 63 5.126 2.429 -3.313 1.00 0.00 C ATOM 1460 OG SER A 63 5.759 3.696 -3.193 1.00 0.00 O ATOM 0 H SER A 63 5.015 3.868 -1.291 1.00 0.00 H new ATOM 0 HA SER A 63 3.114 2.151 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.878 1.640 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.626 2.359 -4.279 1.00 0.00 H new ATOM 0 HG SER A 63 6.405 3.809 -3.921 1.00 0.00 H new ATOM 1466 N SER A 64 3.446 -0.011 -1.494 1.00 0.00 N ATOM 1467 CA SER A 64 3.601 -1.297 -0.838 1.00 0.00 C ATOM 1468 C SER A 64 4.485 -2.219 -1.666 1.00 0.00 C ATOM 1469 O SER A 64 4.333 -2.316 -2.888 1.00 0.00 O ATOM 1470 CB SER A 64 2.226 -1.927 -0.629 1.00 0.00 C ATOM 1471 OG SER A 64 1.209 -1.102 -1.181 1.00 0.00 O ATOM 0 H SER A 64 2.554 0.113 -1.972 1.00 0.00 H new ATOM 0 HA SER A 64 4.081 -1.148 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.196 -2.912 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.045 -2.073 0.436 1.00 0.00 H new ATOM 0 HG SER A 64 0.335 -1.522 -1.040 1.00 0.00 H new ATOM 1477 N TYR A 65 5.406 -2.893 -1.001 1.00 0.00 N ATOM 1478 CA TYR A 65 6.331 -3.783 -1.676 1.00 0.00 C ATOM 1479 C TYR A 65 6.054 -5.224 -1.280 1.00 0.00 C ATOM 1480 O TYR A 65 5.541 -5.489 -0.190 1.00 0.00 O ATOM 1481 CB TYR A 65 7.773 -3.403 -1.341 1.00 0.00 C ATOM 1482 CG TYR A 65 8.108 -1.961 -1.661 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.314 -1.549 -2.971 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.216 -1.012 -0.652 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.618 -0.234 -3.267 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.518 0.304 -0.944 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.717 0.687 -2.250 1.00 0.00 C ATOM 1488 OH TYR A 65 9.016 1.996 -2.543 1.00 0.00 O ATOM 0 H TYR A 65 5.533 -2.840 0.010 1.00 0.00 H new ATOM 0 HA TYR A 65 6.190 -3.685 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.951 -3.582 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.450 -4.056 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.235 -2.269 -3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.062 -1.307 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.777 0.069 -4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.598 1.030 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 65 8.816 2.559 -1.766 1.00 0.00 H new ATOM 1498 N THR A 66 6.382 -6.149 -2.165 1.00 0.00 N ATOM 1499 CA THR A 66 6.112 -7.551 -1.918 1.00 0.00 C ATOM 1500 C THR A 66 7.236 -8.431 -2.455 1.00 0.00 C ATOM 1501 O THR A 66 8.204 -7.939 -3.041 1.00 0.00 O ATOM 1502 CB THR A 66 4.761 -7.986 -2.537 1.00 0.00 C ATOM 1503 OG1 THR A 66 4.349 -9.245 -1.986 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.855 -8.088 -4.056 1.00 0.00 C ATOM 0 H THR A 66 6.834 -5.954 -3.058 1.00 0.00 H new ATOM 0 HA THR A 66 6.052 -7.680 -0.837 1.00 0.00 H new ATOM 0 HB THR A 66 4.019 -7.225 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.219 -9.152 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.891 -8.395 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.129 -7.118 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.612 -8.824 -4.325 1.00 0.00 H new ATOM 1512 N LYS A 67 7.091 -9.727 -2.241 1.00 0.00 N ATOM 1513 CA LYS A 67 8.080 -10.706 -2.656 1.00 0.00 C ATOM 1514 C LYS A 67 7.461 -12.093 -2.612 1.00 0.00 C ATOM 1515 O LYS A 67 7.369 -12.789 -3.624 1.00 0.00 O ATOM 1516 CB LYS A 67 9.298 -10.651 -1.734 1.00 0.00 C ATOM 1517 CG LYS A 67 10.569 -11.198 -2.360 1.00 0.00 C ATOM 1518 CD LYS A 67 11.707 -11.223 -1.356 1.00 0.00 C ATOM 1519 CE LYS A 67 13.008 -10.722 -1.963 1.00 0.00 C ATOM 1520 NZ LYS A 67 12.841 -9.402 -2.630 1.00 0.00 N ATOM 0 H LYS A 67 6.280 -10.131 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 67 8.403 -10.482 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.468 -9.617 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.080 -11.214 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.389 -12.206 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.849 -10.585 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.446 -10.606 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.845 -12.240 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.764 -10.640 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.374 -11.450 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.654 -8.794 -2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.786 -9.538 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.967 -8.951 -2.293 1.00 0.00 H new ATOM 1534 N SER A 68 7.024 -12.473 -1.424 1.00 0.00 N ATOM 1535 CA SER A 68 6.384 -13.758 -1.208 1.00 0.00 C ATOM 1536 C SER A 68 4.878 -13.584 -1.015 1.00 0.00 C ATOM 1537 O SER A 68 4.269 -14.230 -0.168 1.00 0.00 O ATOM 1538 CB SER A 68 7.015 -14.434 0.011 1.00 0.00 C ATOM 1539 OG SER A 68 8.344 -13.972 0.203 1.00 0.00 O ATOM 0 H SER A 68 7.103 -11.900 -0.584 1.00 0.00 H new ATOM 0 HA SER A 68 6.534 -14.389 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.419 -14.225 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.016 -15.515 -0.125 1.00 0.00 H new ATOM 0 HG SER A 68 8.440 -13.619 1.112 1.00 0.00 H new ATOM 1545 N GLY A 69 4.291 -12.678 -1.792 1.00 0.00 N ATOM 1546 CA GLY A 69 2.853 -12.456 -1.742 1.00 0.00 C ATOM 1547 C GLY A 69 2.423 -11.564 -0.589 1.00 0.00 C ATOM 1548 O GLY A 69 1.383 -10.911 -0.655 1.00 0.00 O ATOM 0 H GLY A 69 4.788 -12.089 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.529 -12.007 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.346 -13.417 -1.657 1.00 0.00 H new ATOM 1552 N MET A 70 3.229 -11.530 0.464 1.00 0.00 N ATOM 1553 CA MET A 70 2.931 -10.722 1.639 1.00 0.00 C ATOM 1554 C MET A 70 3.028 -9.233 1.324 1.00 0.00 C ATOM 1555 O MET A 70 3.948 -8.795 0.631 1.00 0.00 O ATOM 1556 CB MET A 70 3.892 -11.073 2.776 1.00 0.00 C ATOM 1557 CG MET A 70 3.271 -10.962 4.158 1.00 0.00 C ATOM 1558 SD MET A 70 4.491 -11.119 5.477 1.00 0.00 S ATOM 1559 CE MET A 70 5.106 -12.775 5.162 1.00 0.00 C ATOM 0 H MET A 70 4.100 -12.057 0.528 1.00 0.00 H new ATOM 0 HA MET A 70 1.909 -10.941 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.255 -12.090 2.631 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.759 -10.414 2.723 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.764 -10.002 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.512 -11.736 4.275 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.663 -13.127 6.030 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.267 -13.445 4.973 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.762 -12.760 4.291 1.00 0.00 H new ATOM 1569 N ILE A 71 2.075 -8.468 1.831 1.00 0.00 N ATOM 1570 CA ILE A 71 2.080 -7.022 1.662 1.00 0.00 C ATOM 1571 C ILE A 71 2.768 -6.364 2.849 1.00 0.00 C ATOM 1572 O ILE A 71 2.367 -6.572 3.995 1.00 0.00 O ATOM 1573 CB ILE A 71 0.649 -6.456 1.536 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.236 -7.396 0.717 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.678 -5.072 0.908 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.403 -7.959 1.499 1.00 0.00 C ATOM 0 H ILE A 71 1.284 -8.826 2.366 1.00 0.00 H new ATOM 0 HA ILE A 71 2.620 -6.802 0.741 1.00 0.00 H new ATOM 0 HB ILE A 71 0.225 -6.374 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.616 -6.859 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.371 -8.220 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.339 -4.688 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.270 -4.402 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.124 -5.132 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.988 -8.617 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.030 -8.524 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.033 -7.142 1.851 1.00 0.00 H new ATOM 1588 N LEU A 72 3.808 -5.592 2.584 1.00 0.00 N ATOM 1589 CA LEU A 72 4.551 -4.932 3.648 1.00 0.00 C ATOM 1590 C LEU A 72 4.805 -3.472 3.308 1.00 0.00 C ATOM 1591 O LEU A 72 4.802 -3.087 2.132 1.00 0.00 O ATOM 1592 CB LEU A 72 5.887 -5.640 3.889 1.00 0.00 C ATOM 1593 CG LEU A 72 5.782 -7.040 4.499 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.947 -8.102 3.429 1.00 0.00 C ATOM 1595 CD2 LEU A 72 6.821 -7.236 5.589 1.00 0.00 C ATOM 0 H LEU A 72 4.158 -5.406 1.644 1.00 0.00 H new ATOM 0 HA LEU A 72 3.949 -4.983 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.417 -5.714 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.495 -5.019 4.547 1.00 0.00 H new ATOM 0 HG LEU A 72 4.791 -7.138 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.869 -9.090 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.167 -7.985 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.924 -7.995 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.726 -8.238 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.818 -7.112 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.666 -6.499 6.377 1.00 0.00 H new ATOM 1607 N CYS A 73 5.024 -2.666 4.340 1.00 0.00 N ATOM 1608 CA CYS A 73 5.346 -1.260 4.160 1.00 0.00 C ATOM 1609 C CYS A 73 6.802 -1.105 3.733 1.00 0.00 C ATOM 1610 O CYS A 73 7.549 -2.084 3.672 1.00 0.00 O ATOM 1611 CB CYS A 73 5.089 -0.478 5.452 1.00 0.00 C ATOM 1612 SG CYS A 73 6.077 -1.036 6.880 1.00 0.00 S ATOM 0 H CYS A 73 4.984 -2.966 5.314 1.00 0.00 H new ATOM 0 HA CYS A 73 4.703 -0.856 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.297 0.577 5.271 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.032 -0.555 5.705 1.00 0.00 H new ATOM 0 HG CYS A 73 5.300 -1.196 7.910 1.00 0.00 H new ATOM 1617 N ARG A 74 7.203 0.130 3.462 1.00 0.00 N ATOM 1618 CA ARG A 74 8.568 0.416 3.033 1.00 0.00 C ATOM 1619 C ARG A 74 9.575 0.050 4.119 1.00 0.00 C ATOM 1620 O ARG A 74 10.681 -0.397 3.829 1.00 0.00 O ATOM 1621 CB ARG A 74 8.713 1.895 2.669 1.00 0.00 C ATOM 1622 CG ARG A 74 9.727 2.149 1.566 1.00 0.00 C ATOM 1623 CD ARG A 74 10.125 3.613 1.487 1.00 0.00 C ATOM 1624 NE ARG A 74 10.724 3.945 0.197 1.00 0.00 N ATOM 1625 CZ ARG A 74 10.137 4.714 -0.723 1.00 0.00 C ATOM 1626 NH1 ARG A 74 8.948 5.256 -0.480 1.00 0.00 N ATOM 1627 NH2 ARG A 74 10.743 4.942 -1.882 1.00 0.00 N ATOM 0 H ARG A 74 6.603 0.952 3.531 1.00 0.00 H new ATOM 0 HA ARG A 74 8.775 -0.192 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.743 2.281 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.007 2.453 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.614 1.541 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.309 1.834 0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.247 4.237 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.832 3.841 2.285 1.00 0.00 H new ATOM 0 HE ARG A 74 11.647 3.566 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.482 5.085 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.502 5.843 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.657 4.530 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.295 5.529 -2.585 1.00 0.00 H new ATOM 1641 N ASN A 75 9.176 0.227 5.369 1.00 0.00 N ATOM 1642 CA ASN A 75 10.054 -0.058 6.500 1.00 0.00 C ATOM 1643 C ASN A 75 10.107 -1.555 6.763 1.00 0.00 C ATOM 1644 O ASN A 75 11.179 -2.133 6.950 1.00 0.00 O ATOM 1645 CB ASN A 75 9.577 0.664 7.771 1.00 0.00 C ATOM 1646 CG ASN A 75 8.691 1.866 7.486 1.00 0.00 C ATOM 1647 OD1 ASN A 75 9.165 3.000 7.417 1.00 0.00 O ATOM 1648 ND2 ASN A 75 7.397 1.629 7.316 1.00 0.00 N ATOM 0 H ASN A 75 8.250 0.567 5.629 1.00 0.00 H new ATOM 0 HA ASN A 75 11.050 0.305 6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.030 -0.041 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.446 0.990 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.759 2.400 7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.040 0.676 7.380 1.00 0.00 H new ATOM 1655 N ASP A 76 8.939 -2.180 6.753 1.00 0.00 N ATOM 1656 CA ASP A 76 8.824 -3.593 7.080 1.00 0.00 C ATOM 1657 C ASP A 76 9.447 -4.464 6.007 1.00 0.00 C ATOM 1658 O ASP A 76 10.099 -5.459 6.312 1.00 0.00 O ATOM 1659 CB ASP A 76 7.361 -3.983 7.255 1.00 0.00 C ATOM 1660 CG ASP A 76 6.998 -4.219 8.701 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.683 -5.037 9.368 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.028 -3.601 9.175 1.00 0.00 O ATOM 0 H ASP A 76 8.054 -1.729 6.521 1.00 0.00 H new ATOM 0 HA ASP A 76 9.361 -3.754 8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.727 -3.196 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.157 -4.886 6.680 1.00 0.00 H new ATOM 1667 N TYR A 77 9.247 -4.093 4.754 1.00 0.00 N ATOM 1668 CA TYR A 77 9.748 -4.890 3.647 1.00 0.00 C ATOM 1669 C TYR A 77 11.268 -4.969 3.664 1.00 0.00 C ATOM 1670 O TYR A 77 11.835 -6.035 3.445 1.00 0.00 O ATOM 1671 CB TYR A 77 9.281 -4.337 2.307 1.00 0.00 C ATOM 1672 CG TYR A 77 9.665 -5.224 1.150 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.168 -6.518 1.052 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.532 -4.777 0.161 1.00 0.00 C ATOM 1675 CE1 TYR A 77 9.523 -7.338 0.001 1.00 0.00 C ATOM 1676 CE2 TYR A 77 10.892 -5.591 -0.893 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.383 -6.871 -0.969 1.00 0.00 C ATOM 1678 OH TYR A 77 10.734 -7.689 -2.020 1.00 0.00 O ATOM 0 H TYR A 77 8.744 -3.250 4.478 1.00 0.00 H new ATOM 0 HA TYR A 77 9.343 -5.894 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.198 -4.217 2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.709 -3.346 2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.493 -6.887 1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.931 -3.775 0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.129 -8.341 -0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.568 -5.229 -1.654 1.00 0.00 H new ATOM 0 HH TYR A 77 9.938 -7.899 -2.551 1.00 0.00 H new ATOM 1688 N ILE A 78 11.920 -3.846 3.928 1.00 0.00 N ATOM 1689 CA ILE A 78 13.377 -3.815 3.978 1.00 0.00 C ATOM 1690 C ILE A 78 13.882 -4.598 5.188 1.00 0.00 C ATOM 1691 O ILE A 78 14.937 -5.231 5.142 1.00 0.00 O ATOM 1692 CB ILE A 78 13.911 -2.366 4.031 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.374 -1.558 2.845 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.436 -2.349 4.044 1.00 0.00 C ATOM 1695 CD1 ILE A 78 14.063 -1.865 1.533 1.00 0.00 C ATOM 0 H ILE A 78 11.469 -2.950 4.110 1.00 0.00 H new ATOM 0 HA ILE A 78 13.749 -4.280 3.065 1.00 0.00 H new ATOM 0 HB ILE A 78 13.560 -1.905 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.307 -1.753 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.484 -0.495 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.788 -1.318 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.798 -2.888 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.813 -2.828 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.628 -1.254 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.127 -1.643 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.931 -2.920 1.291 1.00 0.00 H new ATOM 1707 N ARG A 79 13.107 -4.559 6.265 1.00 0.00 N ATOM 1708 CA ARG A 79 13.432 -5.303 7.474 1.00 0.00 C ATOM 1709 C ARG A 79 13.263 -6.805 7.238 1.00 0.00 C ATOM 1710 O ARG A 79 14.069 -7.612 7.698 1.00 0.00 O ATOM 1711 CB ARG A 79 12.538 -4.848 8.632 1.00 0.00 C ATOM 1712 CG ARG A 79 13.134 -5.106 10.005 1.00 0.00 C ATOM 1713 CD ARG A 79 12.502 -4.215 11.065 1.00 0.00 C ATOM 1714 NE ARG A 79 13.240 -2.963 11.248 1.00 0.00 N ATOM 1715 CZ ARG A 79 12.749 -1.755 10.965 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.482 -1.616 10.588 1.00 0.00 N ATOM 1717 NH2 ARG A 79 13.518 -0.680 11.089 1.00 0.00 N ATOM 0 H ARG A 79 12.245 -4.017 6.325 1.00 0.00 H new ATOM 0 HA ARG A 79 14.472 -5.106 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.339 -3.781 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.578 -5.360 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.989 -6.152 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.209 -4.930 9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.474 -3.990 10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.462 -4.753 12.012 1.00 0.00 H new ATOM 0 HE ARG A 79 14.190 -3.018 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.879 -2.435 10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.113 -0.690 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.484 -0.777 11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.143 0.243 10.873 1.00 0.00 H new ATOM 1731 N LEU A 80 12.220 -7.164 6.506 1.00 0.00 N ATOM 1732 CA LEU A 80 11.890 -8.562 6.263 1.00 0.00 C ATOM 1733 C LEU A 80 12.695 -9.142 5.100 1.00 0.00 C ATOM 1734 O LEU A 80 13.448 -10.100 5.275 1.00 0.00 O ATOM 1735 CB LEU A 80 10.391 -8.703 5.981 1.00 0.00 C ATOM 1736 CG LEU A 80 9.642 -9.699 6.872 1.00 0.00 C ATOM 1737 CD1 LEU A 80 10.464 -10.965 7.082 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.296 -9.060 8.208 1.00 0.00 C ATOM 0 H LEU A 80 11.582 -6.501 6.066 1.00 0.00 H new ATOM 0 HA LEU A 80 12.150 -9.125 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.925 -7.724 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.262 -9.004 4.941 1.00 0.00 H new ATOM 0 HG LEU A 80 8.716 -9.976 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.911 -11.657 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.660 -11.436 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.410 -10.710 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.764 -9.781 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.212 -8.752 8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.663 -8.188 8.041 1.00 0.00 H new ATOM 1750 N PHE A 81 12.534 -8.564 3.918 1.00 0.00 N ATOM 1751 CA PHE A 81 13.177 -9.085 2.720 1.00 0.00 C ATOM 1752 C PHE A 81 14.107 -8.041 2.101 1.00 0.00 C ATOM 1753 O PHE A 81 15.278 -7.941 2.468 1.00 0.00 O ATOM 1754 CB PHE A 81 12.126 -9.519 1.689 1.00 0.00 C ATOM 1755 CG PHE A 81 11.021 -10.375 2.243 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.186 -11.743 2.382 1.00 0.00 C ATOM 1757 CD2 PHE A 81 9.813 -9.809 2.613 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.166 -12.530 2.882 1.00 0.00 C ATOM 1759 CE2 PHE A 81 8.789 -10.589 3.111 1.00 0.00 C ATOM 1760 CZ PHE A 81 8.966 -11.952 3.247 1.00 0.00 C ATOM 0 H PHE A 81 11.963 -7.733 3.763 1.00 0.00 H new ATOM 0 HA PHE A 81 13.770 -9.952 3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.687 -8.628 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.625 -10.066 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.122 -12.200 2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.670 -8.743 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.307 -13.596 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.851 -10.134 3.394 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.167 -12.565 3.638 1.00 0.00 H new ATOM 1770 N GLY A 82 13.573 -7.260 1.170 1.00 0.00 N ATOM 1771 CA GLY A 82 14.374 -6.276 0.475 1.00 0.00 C ATOM 1772 C GLY A 82 15.083 -6.877 -0.720 1.00 0.00 C ATOM 1773 O GLY A 82 16.295 -6.632 -0.883 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.433 -7.617 -1.488 1.00 0.00 O ATOM 0 H GLY A 82 12.594 -7.293 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.737 -5.455 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.109 -5.854 1.161 1.00 0.00 H new