USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 61 TYR OH : rot -15:sc= 0.146 USER MOD Set 1.2: B 66 GLN : amide:sc= -0.55 K(o=-0.4,f=-2.8!) USER MOD Set 2.1: A 29 MET CE :methyl -117:sc= 0 (180deg=-2.25!) USER MOD Set 2.2: A 33 TYR OH : rot -60:sc= 0.983 USER MOD Set 2.3: B 29 MET CE :methyl -133:sc= -1.47 (180deg=-3.55!) USER MOD Set 2.4: B 33 TYR OH : rot 59:sc= 1.17 USER MOD Single : A 30 ASN : amide:sc= -0.0765 X(o=-0.077,f=-0.36) USER MOD Single : A 31 HIS : no HD1:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 32 CYS SG : rot 80:sc= 0.781 USER MOD Single : A 34 SER OG : rot 76:sc= 0.458 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 50 SER OG : rot 180:sc= 0.234 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.563 F(o=-1.2,f=-0.56) USER MOD Single : A 56 GLN : amide:sc= -0.658 K(o=-0.66,f=-2.1) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.764 F(o=-3!,f=-0.76) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : B 32 CYS SG : rot 75:sc= 0.89 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -140:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc=-0.00183 X(o=-0.0018,f=-0.19) USER MOD Single : B 56 GLN : amide:sc= 0.356 K(o=0.36,f=-0.56) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 11.128 12.591 5.448 1.00 74.33 N ATOM 372 CA ASP A 27 10.504 12.249 4.144 1.00 44.32 C ATOM 373 C ASP A 27 10.008 10.772 4.074 1.00 72.12 C ATOM 374 O ASP A 27 9.924 10.207 2.983 1.00 5.20 O ATOM 375 CB ASP A 27 11.540 12.515 3.014 1.00 72.13 C ATOM 376 CG ASP A 27 11.916 13.994 2.872 1.00 72.04 C ATOM 377 OD1 ASP A 27 12.675 14.506 3.722 1.00 73.33 O ATOM 378 OD2 ASP A 27 11.454 14.644 1.909 1.00 50.54 O ATOM 0 HA ASP A 27 9.621 12.877 4.021 1.00 44.32 H new ATOM 0 HB2 ASP A 27 12.441 11.936 3.213 1.00 72.13 H new ATOM 0 HB3 ASP A 27 11.134 12.158 2.067 1.00 72.13 H new ATOM 383 N ASP A 28 9.624 10.182 5.228 1.00 4.23 N ATOM 384 CA ASP A 28 9.288 8.744 5.350 1.00 22.23 C ATOM 385 C ASP A 28 8.179 8.324 4.357 1.00 34.03 C ATOM 386 O ASP A 28 8.254 7.257 3.763 1.00 33.31 O ATOM 387 CB ASP A 28 8.870 8.415 6.808 1.00 61.34 C ATOM 388 CG ASP A 28 8.860 6.901 7.091 1.00 12.23 C ATOM 389 OD1 ASP A 28 9.913 6.361 7.494 1.00 3.30 O ATOM 390 OD2 ASP A 28 7.819 6.238 6.889 1.00 12.12 O ATOM 0 H ASP A 28 9.538 10.693 6.107 1.00 4.23 H new ATOM 0 HA ASP A 28 10.181 8.172 5.097 1.00 22.23 H new ATOM 0 HB2 ASP A 28 9.556 8.906 7.499 1.00 61.34 H new ATOM 0 HB3 ASP A 28 7.878 8.824 6.999 1.00 61.34 H new ATOM 395 N MET A 29 7.175 9.201 4.184 1.00 75.45 N ATOM 396 CA MET A 29 6.091 9.030 3.194 1.00 23.33 C ATOM 397 C MET A 29 6.641 8.917 1.739 1.00 70.44 C ATOM 398 O MET A 29 6.227 8.036 0.985 1.00 64.13 O ATOM 399 CB MET A 29 5.075 10.207 3.328 1.00 73.31 C ATOM 400 CG MET A 29 4.054 10.328 2.181 1.00 40.42 C ATOM 401 SD MET A 29 2.635 11.371 2.587 1.00 50.40 S ATOM 402 CE MET A 29 1.700 10.286 3.667 1.00 31.12 C ATOM 0 H MET A 29 7.090 10.057 4.731 1.00 75.45 H new ATOM 0 HA MET A 29 5.579 8.091 3.403 1.00 23.33 H new ATOM 0 HB2 MET A 29 4.531 10.091 4.266 1.00 73.31 H new ATOM 0 HB3 MET A 29 5.633 11.141 3.396 1.00 73.31 H new ATOM 0 HG2 MET A 29 4.554 10.734 1.302 1.00 40.42 H new ATOM 0 HG3 MET A 29 3.699 9.332 1.915 1.00 40.42 H new ATOM 0 HE1 MET A 29 0.734 10.065 3.213 1.00 31.12 H new ATOM 0 HE2 MET A 29 2.252 9.358 3.817 1.00 31.12 H new ATOM 0 HE3 MET A 29 1.545 10.775 4.629 1.00 31.12 H new ATOM 412 N ASN A 30 7.592 9.802 1.382 1.00 0.13 N ATOM 413 CA ASN A 30 8.215 9.836 0.028 1.00 75.02 C ATOM 414 C ASN A 30 9.026 8.542 -0.253 1.00 21.43 C ATOM 415 O ASN A 30 8.928 7.960 -1.342 1.00 55.12 O ATOM 416 CB ASN A 30 9.127 11.090 -0.109 1.00 31.51 C ATOM 417 CG ASN A 30 8.375 12.401 0.147 1.00 5.43 C ATOM 418 OD1 ASN A 30 7.179 12.503 -0.091 1.00 50.32 O ATOM 419 ND2 ASN A 30 9.063 13.415 0.623 1.00 71.14 N ATOM 0 H ASN A 30 7.955 10.514 2.016 1.00 0.13 H new ATOM 0 HA ASN A 30 7.416 9.894 -0.712 1.00 75.02 H new ATOM 0 HB2 ASN A 30 9.957 11.009 0.593 1.00 31.51 H new ATOM 0 HB3 ASN A 30 9.558 11.113 -1.110 1.00 31.51 H new ATOM 0 HD21 ASN A 30 8.601 14.307 0.800 1.00 71.14 H new ATOM 0 HD22 ASN A 30 10.059 13.310 0.815 1.00 71.14 H new ATOM 426 N HIS A 31 9.815 8.102 0.751 1.00 40.25 N ATOM 427 CA HIS A 31 10.576 6.830 0.689 1.00 12.42 C ATOM 428 C HIS A 31 9.624 5.610 0.603 1.00 43.21 C ATOM 429 O HIS A 31 9.881 4.678 -0.155 1.00 35.43 O ATOM 430 CB HIS A 31 11.509 6.679 1.919 1.00 33.24 C ATOM 431 CG HIS A 31 12.615 7.698 1.990 1.00 14.01 C ATOM 432 ND1 HIS A 31 13.787 7.529 1.294 1.00 65.23 N ATOM 433 CD2 HIS A 31 12.690 8.852 2.690 1.00 72.40 C ATOM 434 CE1 HIS A 31 14.535 8.576 1.587 1.00 20.25 C ATOM 435 NE2 HIS A 31 13.910 9.403 2.426 1.00 42.03 N ATOM 0 H HIS A 31 9.944 8.614 1.624 1.00 40.25 H new ATOM 0 HA HIS A 31 11.185 6.861 -0.214 1.00 12.42 H new ATOM 0 HB2 HIS A 31 10.908 6.749 2.826 1.00 33.24 H new ATOM 0 HB3 HIS A 31 11.950 5.682 1.905 1.00 33.24 H new ATOM 0 HD2 HIS A 31 11.928 9.261 3.337 1.00 72.40 H new ATOM 0 HE1 HIS A 31 15.528 8.742 1.197 1.00 20.25 H new ATOM 0 HE2 HIS A 31 14.274 10.280 2.799 1.00 42.03 H new ATOM 443 N CYS A 32 8.523 5.657 1.381 1.00 53.14 N ATOM 444 CA CYS A 32 7.492 4.592 1.412 1.00 22.41 C ATOM 445 C CYS A 32 6.800 4.421 0.046 1.00 70.23 C ATOM 446 O CYS A 32 6.578 3.304 -0.397 1.00 25.40 O ATOM 447 CB CYS A 32 6.430 4.858 2.510 1.00 24.20 C ATOM 448 SG CYS A 32 7.038 4.637 4.205 1.00 14.11 S ATOM 0 H CYS A 32 8.321 6.436 2.008 1.00 53.14 H new ATOM 0 HA CYS A 32 8.014 3.665 1.649 1.00 22.41 H new ATOM 0 HB2 CYS A 32 6.058 5.876 2.400 1.00 24.20 H new ATOM 0 HB3 CYS A 32 5.584 4.190 2.350 1.00 24.20 H new ATOM 0 HG CYS A 32 7.709 5.690 4.566 1.00 14.11 H new ATOM 454 N TYR A 33 6.475 5.543 -0.613 1.00 40.12 N ATOM 455 CA TYR A 33 5.804 5.551 -1.937 1.00 72.24 C ATOM 456 C TYR A 33 6.715 5.034 -3.077 1.00 12.25 C ATOM 457 O TYR A 33 6.240 4.373 -4.015 1.00 65.41 O ATOM 458 CB TYR A 33 5.250 6.969 -2.253 1.00 31.22 C ATOM 459 CG TYR A 33 3.837 7.188 -1.694 1.00 33.12 C ATOM 460 CD1 TYR A 33 2.792 6.409 -2.167 1.00 13.42 C ATOM 461 CD2 TYR A 33 3.548 8.136 -0.715 1.00 33.52 C ATOM 462 CE1 TYR A 33 1.517 6.554 -1.701 1.00 33.23 C ATOM 463 CE2 TYR A 33 2.259 8.287 -0.239 1.00 34.41 C ATOM 464 CZ TYR A 33 1.250 7.493 -0.738 1.00 64.22 C ATOM 465 OH TYR A 33 -0.028 7.632 -0.260 1.00 45.50 O ATOM 0 H TYR A 33 6.667 6.476 -0.249 1.00 40.12 H new ATOM 0 HA TYR A 33 4.969 4.852 -1.879 1.00 72.24 H new ATOM 0 HB2 TYR A 33 5.922 7.719 -1.836 1.00 31.22 H new ATOM 0 HB3 TYR A 33 5.237 7.118 -3.333 1.00 31.22 H new ATOM 0 HD1 TYR A 33 2.992 5.667 -2.925 1.00 13.42 H new ATOM 0 HD2 TYR A 33 4.339 8.759 -0.324 1.00 33.52 H new ATOM 0 HE1 TYR A 33 0.723 5.933 -2.089 1.00 33.23 H new ATOM 0 HE2 TYR A 33 2.044 9.024 0.521 1.00 34.41 H new ATOM 0 HH TYR A 33 -0.629 7.869 -0.997 1.00 45.50 H new ATOM 475 N SER A 34 8.014 5.349 -2.990 1.00 1.23 N ATOM 476 CA SER A 34 9.041 4.778 -3.891 1.00 13.45 C ATOM 477 C SER A 34 9.153 3.251 -3.680 1.00 64.04 C ATOM 478 O SER A 34 9.219 2.473 -4.635 1.00 1.32 O ATOM 479 CB SER A 34 10.407 5.447 -3.618 1.00 41.32 C ATOM 480 OG SER A 34 10.324 6.856 -3.762 1.00 54.25 O ATOM 0 H SER A 34 8.387 6.001 -2.301 1.00 1.23 H new ATOM 0 HA SER A 34 8.747 4.968 -4.923 1.00 13.45 H new ATOM 0 HB2 SER A 34 10.741 5.200 -2.610 1.00 41.32 H new ATOM 0 HB3 SER A 34 11.153 5.051 -4.307 1.00 41.32 H new ATOM 0 HG SER A 34 9.869 7.238 -2.983 1.00 54.25 H new ATOM 486 N ARG A 35 9.123 2.861 -2.395 1.00 1.23 N ATOM 487 CA ARG A 35 9.270 1.467 -1.927 1.00 22.13 C ATOM 488 C ARG A 35 8.027 0.614 -2.299 1.00 11.54 C ATOM 489 O ARG A 35 8.144 -0.586 -2.549 1.00 55.24 O ATOM 490 CB ARG A 35 9.517 1.498 -0.384 1.00 35.23 C ATOM 491 CG ARG A 35 10.505 0.454 0.177 1.00 34.10 C ATOM 492 CD ARG A 35 9.931 -0.969 0.337 1.00 12.04 C ATOM 493 NE ARG A 35 10.586 -1.666 1.464 1.00 34.32 N ATOM 494 CZ ARG A 35 11.201 -2.817 1.429 1.00 44.04 C ATOM 495 NH1 ARG A 35 11.258 -3.533 0.359 1.00 23.31 N ATOM 496 NH2 ARG A 35 11.762 -3.254 2.498 1.00 74.24 N ATOM 0 H ARG A 35 8.992 3.523 -1.630 1.00 1.23 H new ATOM 0 HA ARG A 35 10.119 0.994 -2.420 1.00 22.13 H new ATOM 0 HB2 ARG A 35 9.881 2.490 -0.117 1.00 35.23 H new ATOM 0 HB3 ARG A 35 8.559 1.364 0.118 1.00 35.23 H new ATOM 0 HG2 ARG A 35 11.373 0.407 -0.481 1.00 34.10 H new ATOM 0 HG3 ARG A 35 10.860 0.797 1.149 1.00 34.10 H new ATOM 0 HD2 ARG A 35 8.856 -0.917 0.509 1.00 12.04 H new ATOM 0 HD3 ARG A 35 10.080 -1.533 -0.584 1.00 12.04 H new ATOM 0 HE ARG A 35 10.554 -1.196 2.369 1.00 34.32 H new ATOM 0 HH11 ARG A 35 10.813 -3.205 -0.498 1.00 23.31 H new ATOM 0 HH12 ARG A 35 11.748 -4.428 0.370 1.00 23.31 H new ATOM 0 HH21 ARG A 35 11.723 -2.704 3.356 1.00 74.24 H new ATOM 0 HH22 ARG A 35 12.247 -4.151 2.489 1.00 74.24 H new ATOM 510 N LEU A 36 6.841 1.261 -2.336 1.00 11.50 N ATOM 511 CA LEU A 36 5.597 0.639 -2.834 1.00 14.45 C ATOM 512 C LEU A 36 5.758 0.273 -4.319 1.00 1.35 C ATOM 513 O LEU A 36 5.514 -0.861 -4.712 1.00 12.51 O ATOM 514 CB LEU A 36 4.369 1.581 -2.643 1.00 33.45 C ATOM 515 CG LEU A 36 3.902 1.828 -1.172 1.00 31.32 C ATOM 516 CD1 LEU A 36 2.709 2.808 -1.107 1.00 34.22 C ATOM 517 CD2 LEU A 36 3.575 0.497 -0.451 1.00 24.44 C ATOM 0 H LEU A 36 6.721 2.224 -2.023 1.00 11.50 H new ATOM 0 HA LEU A 36 5.414 -0.265 -2.253 1.00 14.45 H new ATOM 0 HB2 LEU A 36 4.606 2.545 -3.092 1.00 33.45 H new ATOM 0 HB3 LEU A 36 3.530 1.166 -3.202 1.00 33.45 H new ATOM 0 HG LEU A 36 4.734 2.294 -0.645 1.00 31.32 H new ATOM 0 HD11 LEU A 36 2.414 2.954 -0.068 1.00 34.22 H new ATOM 0 HD12 LEU A 36 3.001 3.765 -1.539 1.00 34.22 H new ATOM 0 HD13 LEU A 36 1.870 2.397 -1.668 1.00 34.22 H new ATOM 0 HD21 LEU A 36 3.254 0.705 0.569 1.00 24.44 H new ATOM 0 HD22 LEU A 36 2.777 -0.019 -0.985 1.00 24.44 H new ATOM 0 HD23 LEU A 36 4.464 -0.133 -0.430 1.00 24.44 H new ATOM 529 N ARG A 37 6.243 1.244 -5.122 1.00 54.45 N ATOM 530 CA ARG A 37 6.523 1.036 -6.561 1.00 12.03 C ATOM 531 C ARG A 37 7.610 -0.045 -6.816 1.00 75.32 C ATOM 532 O ARG A 37 7.697 -0.579 -7.923 1.00 11.33 O ATOM 533 CB ARG A 37 6.908 2.373 -7.245 1.00 21.34 C ATOM 534 CG ARG A 37 5.737 3.380 -7.326 1.00 61.23 C ATOM 535 CD ARG A 37 6.054 4.638 -8.154 1.00 64.05 C ATOM 536 NE ARG A 37 7.130 5.452 -7.557 1.00 41.30 N ATOM 537 CZ ARG A 37 7.207 6.768 -7.578 1.00 21.32 C ATOM 538 NH1 ARG A 37 6.267 7.505 -8.093 1.00 53.35 N ATOM 539 NH2 ARG A 37 8.235 7.343 -7.060 1.00 53.14 N ATOM 0 H ARG A 37 6.451 2.188 -4.795 1.00 54.45 H new ATOM 0 HA ARG A 37 5.601 0.663 -7.007 1.00 12.03 H new ATOM 0 HB2 ARG A 37 7.732 2.829 -6.697 1.00 21.34 H new ATOM 0 HB3 ARG A 37 7.270 2.166 -8.252 1.00 21.34 H new ATOM 0 HG2 ARG A 37 4.870 2.881 -7.759 1.00 61.23 H new ATOM 0 HG3 ARG A 37 5.459 3.682 -6.316 1.00 61.23 H new ATOM 0 HD2 ARG A 37 6.344 4.342 -9.162 1.00 64.05 H new ATOM 0 HD3 ARG A 37 5.153 5.244 -8.247 1.00 64.05 H new ATOM 0 HE ARG A 37 7.883 4.951 -7.085 1.00 41.30 H new ATOM 0 HH11 ARG A 37 5.439 7.067 -8.497 1.00 53.35 H new ATOM 0 HH12 ARG A 37 6.358 8.521 -8.093 1.00 53.35 H new ATOM 0 HH21 ARG A 37 8.976 6.781 -6.641 1.00 53.14 H new ATOM 0 HH22 ARG A 37 8.309 8.360 -7.069 1.00 53.14 H new ATOM 553 N GLU A 38 8.410 -0.382 -5.782 1.00 10.43 N ATOM 554 CA GLU A 38 9.437 -1.448 -5.885 1.00 33.35 C ATOM 555 C GLU A 38 8.796 -2.837 -5.623 1.00 22.33 C ATOM 556 O GLU A 38 9.127 -3.825 -6.284 1.00 73.34 O ATOM 557 CB GLU A 38 10.598 -1.229 -4.874 1.00 10.41 C ATOM 558 CG GLU A 38 11.393 0.081 -5.039 1.00 72.31 C ATOM 559 CD GLU A 38 12.591 0.182 -4.071 1.00 61.11 C ATOM 560 OE1 GLU A 38 12.372 0.269 -2.842 1.00 24.43 O ATOM 561 OE2 GLU A 38 13.753 0.163 -4.530 1.00 42.34 O ATOM 0 H GLU A 38 8.367 0.066 -4.867 1.00 10.43 H new ATOM 0 HA GLU A 38 9.845 -1.407 -6.895 1.00 33.35 H new ATOM 0 HB2 GLU A 38 10.186 -1.257 -3.865 1.00 10.41 H new ATOM 0 HB3 GLU A 38 11.291 -2.066 -4.959 1.00 10.41 H new ATOM 0 HG2 GLU A 38 11.754 0.154 -6.065 1.00 72.31 H new ATOM 0 HG3 GLU A 38 10.727 0.928 -4.874 1.00 72.31 H new ATOM 568 N LEU A 39 7.876 -2.887 -4.638 1.00 41.31 N ATOM 569 CA LEU A 39 7.210 -4.141 -4.204 1.00 1.32 C ATOM 570 C LEU A 39 6.043 -4.555 -5.140 1.00 73.14 C ATOM 571 O LEU A 39 5.667 -5.733 -5.187 1.00 2.34 O ATOM 572 CB LEU A 39 6.706 -3.996 -2.743 1.00 11.22 C ATOM 573 CG LEU A 39 7.806 -3.732 -1.664 1.00 13.22 C ATOM 574 CD1 LEU A 39 7.192 -3.569 -0.253 1.00 11.12 C ATOM 575 CD2 LEU A 39 8.890 -4.837 -1.682 1.00 63.33 C ATOM 0 H LEU A 39 7.572 -2.063 -4.119 1.00 41.31 H new ATOM 0 HA LEU A 39 7.954 -4.936 -4.258 1.00 1.32 H new ATOM 0 HB2 LEU A 39 5.986 -3.179 -2.707 1.00 11.22 H new ATOM 0 HB3 LEU A 39 6.170 -4.906 -2.472 1.00 11.22 H new ATOM 0 HG LEU A 39 8.291 -2.790 -1.919 1.00 13.22 H new ATOM 0 HD11 LEU A 39 7.986 -3.387 0.471 1.00 11.12 H new ATOM 0 HD12 LEU A 39 6.500 -2.727 -0.252 1.00 11.12 H new ATOM 0 HD13 LEU A 39 6.656 -4.479 0.018 1.00 11.12 H new ATOM 0 HD21 LEU A 39 9.640 -4.624 -0.920 1.00 63.33 H new ATOM 0 HD22 LEU A 39 8.428 -5.803 -1.476 1.00 63.33 H new ATOM 0 HD23 LEU A 39 9.366 -4.864 -2.662 1.00 63.33 H new ATOM 587 N VAL A 40 5.475 -3.572 -5.863 1.00 64.05 N ATOM 588 CA VAL A 40 4.351 -3.791 -6.809 1.00 22.34 C ATOM 589 C VAL A 40 4.870 -4.011 -8.263 1.00 31.04 C ATOM 590 O VAL A 40 5.396 -3.071 -8.880 1.00 0.45 O ATOM 591 CB VAL A 40 3.339 -2.574 -6.790 1.00 62.14 C ATOM 592 CG1 VAL A 40 2.148 -2.804 -7.758 1.00 42.35 C ATOM 593 CG2 VAL A 40 2.848 -2.291 -5.346 1.00 23.11 C ATOM 0 H VAL A 40 5.779 -2.600 -5.812 1.00 64.05 H new ATOM 0 HA VAL A 40 3.829 -4.690 -6.480 1.00 22.34 H new ATOM 0 HB VAL A 40 3.873 -1.692 -7.144 1.00 62.14 H new ATOM 0 HG11 VAL A 40 1.475 -1.947 -7.717 1.00 42.35 H new ATOM 0 HG12 VAL A 40 2.523 -2.923 -8.775 1.00 42.35 H new ATOM 0 HG13 VAL A 40 1.608 -3.704 -7.463 1.00 42.35 H new ATOM 0 HG21 VAL A 40 2.154 -1.451 -5.356 1.00 23.11 H new ATOM 0 HG22 VAL A 40 2.344 -3.174 -4.954 1.00 23.11 H new ATOM 0 HG23 VAL A 40 3.701 -2.049 -4.712 1.00 23.11 H new ATOM 603 N PRO A 41 4.763 -5.261 -8.826 1.00 41.12 N ATOM 604 CA PRO A 41 5.056 -5.525 -10.247 1.00 13.11 C ATOM 605 C PRO A 41 3.861 -5.134 -11.166 1.00 41.23 C ATOM 606 O PRO A 41 3.086 -5.986 -11.626 1.00 34.32 O ATOM 607 CB PRO A 41 5.364 -7.044 -10.250 1.00 13.55 C ATOM 608 CG PRO A 41 4.495 -7.604 -9.163 1.00 45.23 C ATOM 609 CD PRO A 41 4.382 -6.510 -8.113 1.00 43.34 C ATOM 0 HA PRO A 41 5.880 -4.934 -10.646 1.00 13.11 H new ATOM 0 HB2 PRO A 41 5.132 -7.494 -11.215 1.00 13.55 H new ATOM 0 HB3 PRO A 41 6.419 -7.236 -10.054 1.00 13.55 H new ATOM 0 HG2 PRO A 41 3.513 -7.877 -9.550 1.00 45.23 H new ATOM 0 HG3 PRO A 41 4.933 -8.508 -8.740 1.00 45.23 H new ATOM 0 HD2 PRO A 41 3.369 -6.446 -7.716 1.00 43.34 H new ATOM 0 HD3 PRO A 41 5.044 -6.702 -7.269 1.00 43.34 H new ATOM 617 N GLY A 42 3.701 -3.813 -11.377 1.00 50.01 N ATOM 618 CA GLY A 42 2.632 -3.277 -12.238 1.00 23.24 C ATOM 619 C GLY A 42 2.701 -1.768 -12.462 1.00 21.14 C ATOM 620 O GLY A 42 1.735 -1.169 -12.951 1.00 51.21 O ATOM 0 H GLY A 42 4.299 -3.098 -10.962 1.00 50.01 H new ATOM 0 HA2 GLY A 42 2.675 -3.778 -13.205 1.00 23.24 H new ATOM 0 HA3 GLY A 42 1.667 -3.523 -11.794 1.00 23.24 H new ATOM 624 N VAL A 43 3.836 -1.152 -12.104 1.00 60.12 N ATOM 625 CA VAL A 43 4.097 0.283 -12.341 1.00 64.35 C ATOM 626 C VAL A 43 4.911 0.455 -13.657 1.00 72.22 C ATOM 627 O VAL A 43 6.041 -0.025 -13.728 1.00 2.41 O ATOM 628 CB VAL A 43 4.887 0.919 -11.133 1.00 45.22 C ATOM 629 CG1 VAL A 43 5.137 2.434 -11.354 1.00 20.22 C ATOM 630 CG2 VAL A 43 4.146 0.657 -9.793 1.00 31.14 C ATOM 0 H VAL A 43 4.606 -1.634 -11.639 1.00 60.12 H new ATOM 0 HA VAL A 43 3.141 0.799 -12.432 1.00 64.35 H new ATOM 0 HB VAL A 43 5.862 0.436 -11.078 1.00 45.22 H new ATOM 0 HG11 VAL A 43 5.683 2.841 -10.503 1.00 20.22 H new ATOM 0 HG12 VAL A 43 5.722 2.578 -12.263 1.00 20.22 H new ATOM 0 HG13 VAL A 43 4.182 2.950 -11.452 1.00 20.22 H new ATOM 0 HG21 VAL A 43 4.708 1.104 -8.973 1.00 31.14 H new ATOM 0 HG22 VAL A 43 3.151 1.100 -9.835 1.00 31.14 H new ATOM 0 HG23 VAL A 43 4.058 -0.417 -9.630 1.00 31.14 H new ATOM 640 N PRO A 44 4.338 1.105 -14.727 1.00 22.22 N ATOM 641 CA PRO A 44 5.043 1.298 -16.039 1.00 53.24 C ATOM 642 C PRO A 44 6.442 1.994 -15.938 1.00 65.32 C ATOM 643 O PRO A 44 6.699 2.773 -15.012 1.00 64.24 O ATOM 644 CB PRO A 44 4.040 2.160 -16.850 1.00 70.53 C ATOM 645 CG PRO A 44 2.697 1.865 -16.244 1.00 2.52 C ATOM 646 CD PRO A 44 2.956 1.657 -14.766 1.00 13.03 C ATOM 0 HA PRO A 44 5.288 0.339 -16.496 1.00 53.24 H new ATOM 0 HB2 PRO A 44 4.282 3.220 -16.777 1.00 70.53 H new ATOM 0 HB3 PRO A 44 4.061 1.900 -17.908 1.00 70.53 H new ATOM 0 HG2 PRO A 44 2.003 2.689 -16.408 1.00 2.52 H new ATOM 0 HG3 PRO A 44 2.250 0.978 -16.693 1.00 2.52 H new ATOM 0 HD2 PRO A 44 2.882 2.592 -14.211 1.00 13.03 H new ATOM 0 HD3 PRO A 44 2.236 0.967 -14.326 1.00 13.03 H new ATOM 654 N ARG A 45 7.336 1.700 -16.909 1.00 43.22 N ATOM 655 CA ARG A 45 8.734 2.203 -16.910 1.00 74.04 C ATOM 656 C ARG A 45 8.806 3.711 -17.261 1.00 13.42 C ATOM 657 O ARG A 45 8.623 4.098 -18.420 1.00 44.20 O ATOM 658 CB ARG A 45 9.614 1.380 -17.898 1.00 20.01 C ATOM 659 CG ARG A 45 9.713 -0.131 -17.588 1.00 51.12 C ATOM 660 CD ARG A 45 10.213 -0.422 -16.157 1.00 4.03 C ATOM 661 NE ARG A 45 11.516 0.204 -15.872 1.00 22.14 N ATOM 662 CZ ARG A 45 12.032 0.386 -14.673 1.00 33.35 C ATOM 663 NH1 ARG A 45 11.397 0.037 -13.599 1.00 54.10 N ATOM 664 NH2 ARG A 45 13.192 0.938 -14.561 1.00 20.32 N ATOM 0 H ARG A 45 7.113 1.111 -17.711 1.00 43.22 H new ATOM 0 HA ARG A 45 9.122 2.078 -15.899 1.00 74.04 H new ATOM 0 HB2 ARG A 45 9.214 1.503 -18.905 1.00 20.01 H new ATOM 0 HB3 ARG A 45 10.620 1.801 -17.901 1.00 20.01 H new ATOM 0 HG2 ARG A 45 8.733 -0.589 -17.725 1.00 51.12 H new ATOM 0 HG3 ARG A 45 10.387 -0.600 -18.305 1.00 51.12 H new ATOM 0 HD2 ARG A 45 9.476 -0.062 -15.439 1.00 4.03 H new ATOM 0 HD3 ARG A 45 10.294 -1.500 -16.017 1.00 4.03 H new ATOM 0 HE ARG A 45 12.065 0.523 -16.670 1.00 22.14 H new ATOM 0 HH11 ARG A 45 10.474 -0.391 -13.669 1.00 54.10 H new ATOM 0 HH12 ARG A 45 11.821 0.190 -12.684 1.00 54.10 H new ATOM 0 HH21 ARG A 45 13.701 1.229 -15.396 1.00 20.32 H new ATOM 0 HH22 ARG A 45 13.601 1.084 -13.638 1.00 20.32 H new ATOM 678 N GLY A 46 9.058 4.546 -16.238 1.00 1.00 N ATOM 679 CA GLY A 46 9.149 6.004 -16.406 1.00 44.21 C ATOM 680 C GLY A 46 7.784 6.676 -16.554 1.00 62.04 C ATOM 681 O GLY A 46 7.617 7.593 -17.361 1.00 60.41 O ATOM 0 H GLY A 46 9.203 4.231 -15.279 1.00 1.00 H new ATOM 0 HA2 GLY A 46 9.667 6.431 -15.547 1.00 44.21 H new ATOM 0 HA3 GLY A 46 9.754 6.226 -17.285 1.00 44.21 H new ATOM 685 N THR A 47 6.805 6.198 -15.776 1.00 62.33 N ATOM 686 CA THR A 47 5.421 6.733 -15.792 1.00 60.34 C ATOM 687 C THR A 47 5.262 7.966 -14.871 1.00 51.15 C ATOM 688 O THR A 47 4.468 8.868 -15.168 1.00 51.24 O ATOM 689 CB THR A 47 4.388 5.633 -15.373 1.00 11.24 C ATOM 690 OG1 THR A 47 3.049 6.166 -15.361 1.00 72.10 O ATOM 691 CG2 THR A 47 4.714 5.023 -14.002 1.00 64.22 C ATOM 0 H THR A 47 6.940 5.432 -15.116 1.00 62.33 H new ATOM 0 HA THR A 47 5.221 7.045 -16.817 1.00 60.34 H new ATOM 0 HB THR A 47 4.455 4.840 -16.118 1.00 11.24 H new ATOM 0 HG1 THR A 47 2.419 5.463 -15.098 1.00 72.10 H new ATOM 0 HG21 THR A 47 3.970 4.266 -13.755 1.00 64.22 H new ATOM 0 HG22 THR A 47 5.702 4.564 -14.034 1.00 64.22 H new ATOM 0 HG23 THR A 47 4.701 5.805 -13.243 1.00 64.22 H new ATOM 699 N GLN A 48 6.036 7.991 -13.761 1.00 5.21 N ATOM 700 CA GLN A 48 5.928 9.015 -12.695 1.00 72.12 C ATOM 701 C GLN A 48 4.502 9.059 -12.078 1.00 1.21 C ATOM 702 O GLN A 48 3.919 10.138 -11.935 1.00 31.43 O ATOM 703 CB GLN A 48 6.366 10.429 -13.206 1.00 22.52 C ATOM 704 CG GLN A 48 7.841 10.535 -13.651 1.00 63.24 C ATOM 705 CD GLN A 48 8.245 11.947 -14.113 1.00 0.42 C ATOM 706 OE1 GLN A 48 7.708 12.948 -13.650 1.00 43.53 O ATOM 707 NE2 GLN A 48 9.203 12.045 -15.017 1.00 54.40 N ATOM 0 H GLN A 48 6.759 7.295 -13.578 1.00 5.21 H new ATOM 0 HA GLN A 48 6.617 8.722 -11.903 1.00 72.12 H new ATOM 0 HB2 GLN A 48 5.728 10.709 -14.044 1.00 22.52 H new ATOM 0 HB3 GLN A 48 6.188 11.156 -12.414 1.00 22.52 H new ATOM 0 HG2 GLN A 48 8.484 10.235 -12.824 1.00 63.24 H new ATOM 0 HG3 GLN A 48 8.018 9.831 -14.464 1.00 63.24 H new ATOM 0 HE21 GLN A 48 9.639 11.202 -15.392 1.00 54.40 H new ATOM 0 HE22 GLN A 48 9.507 12.963 -15.341 1.00 54.40 H new ATOM 716 N LEU A 49 3.943 7.874 -11.724 1.00 42.24 N ATOM 717 CA LEU A 49 2.631 7.787 -11.022 1.00 22.30 C ATOM 718 C LEU A 49 2.659 8.599 -9.707 1.00 65.24 C ATOM 719 O LEU A 49 3.511 8.357 -8.846 1.00 52.32 O ATOM 720 CB LEU A 49 2.249 6.307 -10.713 1.00 32.10 C ATOM 721 CG LEU A 49 1.862 5.422 -11.936 1.00 23.45 C ATOM 722 CD1 LEU A 49 1.588 3.962 -11.517 1.00 23.34 C ATOM 723 CD2 LEU A 49 0.667 6.022 -12.718 1.00 64.20 C ATOM 0 H LEU A 49 4.375 6.969 -11.911 1.00 42.24 H new ATOM 0 HA LEU A 49 1.878 8.208 -11.688 1.00 22.30 H new ATOM 0 HB2 LEU A 49 3.090 5.836 -10.203 1.00 32.10 H new ATOM 0 HB3 LEU A 49 1.413 6.309 -10.014 1.00 32.10 H new ATOM 0 HG LEU A 49 2.719 5.411 -12.610 1.00 23.45 H new ATOM 0 HD11 LEU A 49 1.321 3.375 -12.396 1.00 23.34 H new ATOM 0 HD12 LEU A 49 2.482 3.541 -11.058 1.00 23.34 H new ATOM 0 HD13 LEU A 49 0.766 3.937 -10.801 1.00 23.34 H new ATOM 0 HD21 LEU A 49 0.425 5.378 -13.564 1.00 64.20 H new ATOM 0 HD22 LEU A 49 -0.198 6.096 -12.059 1.00 64.20 H new ATOM 0 HD23 LEU A 49 0.932 7.015 -13.082 1.00 64.20 H new ATOM 735 N SER A 50 1.738 9.573 -9.579 1.00 2.03 N ATOM 736 CA SER A 50 1.680 10.465 -8.399 1.00 55.42 C ATOM 737 C SER A 50 1.094 9.727 -7.166 1.00 23.31 C ATOM 738 O SER A 50 0.679 8.565 -7.259 1.00 32.13 O ATOM 739 CB SER A 50 0.877 11.751 -8.736 1.00 12.11 C ATOM 740 OG SER A 50 0.915 12.715 -7.684 1.00 2.13 O ATOM 0 H SER A 50 1.021 9.765 -10.279 1.00 2.03 H new ATOM 0 HA SER A 50 2.696 10.762 -8.138 1.00 55.42 H new ATOM 0 HB2 SER A 50 1.278 12.197 -9.646 1.00 12.11 H new ATOM 0 HB3 SER A 50 -0.160 11.484 -8.941 1.00 12.11 H new ATOM 0 HG SER A 50 0.397 13.505 -7.945 1.00 2.13 H new ATOM 746 N GLN A 51 1.055 10.446 -6.037 1.00 12.12 N ATOM 747 CA GLN A 51 0.819 9.898 -4.680 1.00 24.25 C ATOM 748 C GLN A 51 -0.421 8.946 -4.580 1.00 34.12 C ATOM 749 O GLN A 51 -0.337 7.869 -3.971 1.00 60.34 O ATOM 750 CB GLN A 51 0.688 11.108 -3.707 1.00 14.14 C ATOM 751 CG GLN A 51 0.938 10.780 -2.228 1.00 21.35 C ATOM 752 CD GLN A 51 0.843 11.987 -1.283 1.00 64.21 C ATOM 753 OE1 GLN A 51 1.594 11.960 -0.198 1.00 73.14 O flip ATOM 754 NE2 GLN A 51 0.095 12.928 -1.521 1.00 73.00 N flip ATOM 0 H GLN A 51 1.190 11.457 -6.034 1.00 12.12 H new ATOM 0 HA GLN A 51 1.664 9.263 -4.412 1.00 24.25 H new ATOM 0 HB2 GLN A 51 1.391 11.882 -4.016 1.00 14.14 H new ATOM 0 HB3 GLN A 51 -0.313 11.529 -3.806 1.00 14.14 H new ATOM 0 HG2 GLN A 51 0.217 10.027 -1.909 1.00 21.35 H new ATOM 0 HG3 GLN A 51 1.928 10.335 -2.130 1.00 21.35 H new ATOM 0 HE21 GLN A 51 -0.475 12.925 -2.367 1.00 73.00 H new ATOM 0 HE22 GLN A 51 0.043 13.714 -0.873 1.00 73.00 H new ATOM 763 N VAL A 52 -1.555 9.344 -5.191 1.00 13.51 N ATOM 764 CA VAL A 52 -2.800 8.527 -5.195 1.00 74.31 C ATOM 765 C VAL A 52 -2.674 7.288 -6.127 1.00 11.22 C ATOM 766 O VAL A 52 -3.067 6.179 -5.752 1.00 13.14 O ATOM 767 CB VAL A 52 -4.060 9.373 -5.623 1.00 14.22 C ATOM 768 CG1 VAL A 52 -5.374 8.573 -5.427 1.00 62.03 C ATOM 769 CG2 VAL A 52 -4.111 10.708 -4.854 1.00 62.33 C ATOM 0 H VAL A 52 -1.641 10.229 -5.692 1.00 13.51 H new ATOM 0 HA VAL A 52 -2.939 8.186 -4.169 1.00 74.31 H new ATOM 0 HB VAL A 52 -3.964 9.594 -6.686 1.00 14.22 H new ATOM 0 HG11 VAL A 52 -6.222 9.186 -5.732 1.00 62.03 H new ATOM 0 HG12 VAL A 52 -5.343 7.668 -6.034 1.00 62.03 H new ATOM 0 HG13 VAL A 52 -5.481 8.301 -4.377 1.00 62.03 H new ATOM 0 HG21 VAL A 52 -4.989 11.274 -5.166 1.00 62.33 H new ATOM 0 HG22 VAL A 52 -4.169 10.509 -3.784 1.00 62.33 H new ATOM 0 HG23 VAL A 52 -3.212 11.286 -5.068 1.00 62.33 H new ATOM 779 N GLU A 53 -2.107 7.500 -7.339 1.00 4.45 N ATOM 780 CA GLU A 53 -1.991 6.443 -8.386 1.00 60.22 C ATOM 781 C GLU A 53 -1.121 5.258 -7.930 1.00 30.21 C ATOM 782 O GLU A 53 -1.332 4.118 -8.364 1.00 61.04 O ATOM 783 CB GLU A 53 -1.445 7.012 -9.732 1.00 40.52 C ATOM 784 CG GLU A 53 -2.348 8.063 -10.425 1.00 73.32 C ATOM 785 CD GLU A 53 -2.147 9.501 -9.913 1.00 33.33 C ATOM 786 OE1 GLU A 53 -2.760 9.889 -8.893 1.00 3.35 O ATOM 787 OE2 GLU A 53 -1.367 10.253 -10.533 1.00 60.24 O ATOM 0 H GLU A 53 -1.718 8.400 -7.622 1.00 4.45 H new ATOM 0 HA GLU A 53 -3.004 6.076 -8.549 1.00 60.22 H new ATOM 0 HB2 GLU A 53 -0.469 7.461 -9.548 1.00 40.52 H new ATOM 0 HB3 GLU A 53 -1.288 6.182 -10.421 1.00 40.52 H new ATOM 0 HG2 GLU A 53 -2.156 8.041 -11.498 1.00 73.32 H new ATOM 0 HG3 GLU A 53 -3.391 7.781 -10.282 1.00 73.32 H new ATOM 794 N ILE A 54 -0.149 5.539 -7.058 1.00 54.21 N ATOM 795 CA ILE A 54 0.669 4.503 -6.413 1.00 4.40 C ATOM 796 C ILE A 54 -0.212 3.595 -5.506 1.00 24.23 C ATOM 797 O ILE A 54 -0.135 2.368 -5.602 1.00 71.23 O ATOM 798 CB ILE A 54 1.832 5.152 -5.580 1.00 43.42 C ATOM 799 CG1 ILE A 54 2.743 6.035 -6.499 1.00 61.01 C ATOM 800 CG2 ILE A 54 2.664 4.074 -4.840 1.00 52.44 C ATOM 801 CD1 ILE A 54 3.839 6.805 -5.772 1.00 75.52 C ATOM 0 H ILE A 54 0.094 6.489 -6.778 1.00 54.21 H new ATOM 0 HA ILE A 54 1.112 3.884 -7.193 1.00 4.40 H new ATOM 0 HB ILE A 54 1.385 5.797 -4.824 1.00 43.42 H new ATOM 0 HG12 ILE A 54 3.207 5.394 -7.249 1.00 61.01 H new ATOM 0 HG13 ILE A 54 2.113 6.746 -7.033 1.00 61.01 H new ATOM 0 HG21 ILE A 54 3.461 4.555 -4.273 1.00 52.44 H new ATOM 0 HG22 ILE A 54 2.018 3.519 -4.159 1.00 52.44 H new ATOM 0 HG23 ILE A 54 3.099 3.388 -5.567 1.00 52.44 H new ATOM 0 HD11 ILE A 54 4.415 7.386 -6.493 1.00 75.52 H new ATOM 0 HD12 ILE A 54 3.388 7.477 -5.042 1.00 75.52 H new ATOM 0 HD13 ILE A 54 4.499 6.104 -5.261 1.00 75.52 H new ATOM 813 N LEU A 55 -1.071 4.226 -4.667 1.00 34.00 N ATOM 814 CA LEU A 55 -2.036 3.501 -3.788 1.00 44.04 C ATOM 815 C LEU A 55 -2.961 2.560 -4.596 1.00 75.31 C ATOM 816 O LEU A 55 -3.268 1.457 -4.153 1.00 75.41 O ATOM 817 CB LEU A 55 -2.918 4.499 -2.988 1.00 53.11 C ATOM 818 CG LEU A 55 -2.181 5.437 -1.992 1.00 62.34 C ATOM 819 CD1 LEU A 55 -3.176 6.415 -1.316 1.00 30.42 C ATOM 820 CD2 LEU A 55 -1.388 4.620 -0.944 1.00 12.43 C ATOM 0 H LEU A 55 -1.118 5.241 -4.577 1.00 34.00 H new ATOM 0 HA LEU A 55 -1.438 2.902 -3.101 1.00 44.04 H new ATOM 0 HB2 LEU A 55 -3.462 5.119 -3.700 1.00 53.11 H new ATOM 0 HB3 LEU A 55 -3.660 3.927 -2.431 1.00 53.11 H new ATOM 0 HG LEU A 55 -1.462 6.033 -2.554 1.00 62.34 H new ATOM 0 HD11 LEU A 55 -2.637 7.061 -0.623 1.00 30.42 H new ATOM 0 HD12 LEU A 55 -3.661 7.025 -2.078 1.00 30.42 H new ATOM 0 HD13 LEU A 55 -3.930 5.848 -0.771 1.00 30.42 H new ATOM 0 HD21 LEU A 55 -0.882 5.300 -0.259 1.00 12.43 H new ATOM 0 HD22 LEU A 55 -2.074 3.985 -0.383 1.00 12.43 H new ATOM 0 HD23 LEU A 55 -0.649 3.999 -1.450 1.00 12.43 H new ATOM 832 N GLN A 56 -3.397 3.033 -5.782 1.00 61.25 N ATOM 833 CA GLN A 56 -4.270 2.264 -6.700 1.00 14.51 C ATOM 834 C GLN A 56 -3.569 0.960 -7.183 1.00 71.43 C ATOM 835 O GLN A 56 -4.185 -0.107 -7.222 1.00 31.31 O ATOM 836 CB GLN A 56 -4.657 3.136 -7.922 1.00 74.31 C ATOM 837 CG GLN A 56 -5.276 4.508 -7.576 1.00 63.02 C ATOM 838 CD GLN A 56 -5.537 5.395 -8.801 1.00 31.33 C ATOM 839 OE1 GLN A 56 -4.890 5.262 -9.834 1.00 64.51 O ATOM 840 NE2 GLN A 56 -6.442 6.341 -8.683 1.00 52.41 N ATOM 0 H GLN A 56 -3.155 3.960 -6.133 1.00 61.25 H new ATOM 0 HA GLN A 56 -5.171 1.986 -6.153 1.00 14.51 H new ATOM 0 HB2 GLN A 56 -3.767 3.299 -8.529 1.00 74.31 H new ATOM 0 HB3 GLN A 56 -5.365 2.580 -8.537 1.00 74.31 H new ATOM 0 HG2 GLN A 56 -6.216 4.349 -7.047 1.00 63.02 H new ATOM 0 HG3 GLN A 56 -4.610 5.035 -6.892 1.00 63.02 H new ATOM 0 HE21 GLN A 56 -6.970 6.436 -7.816 1.00 52.41 H new ATOM 0 HE22 GLN A 56 -6.616 6.980 -9.459 1.00 52.41 H new ATOM 849 N ARG A 57 -2.265 1.072 -7.535 1.00 64.55 N ATOM 850 CA ARG A 57 -1.417 -0.084 -7.953 1.00 32.23 C ATOM 851 C ARG A 57 -1.154 -1.060 -6.786 1.00 33.21 C ATOM 852 O ARG A 57 -1.027 -2.269 -6.998 1.00 72.14 O ATOM 853 CB ARG A 57 -0.070 0.413 -8.576 1.00 51.45 C ATOM 854 CG ARG A 57 -0.084 0.675 -10.107 1.00 62.52 C ATOM 855 CD ARG A 57 -1.118 1.720 -10.583 1.00 43.12 C ATOM 856 NE ARG A 57 -2.496 1.203 -10.617 1.00 32.13 N ATOM 857 CZ ARG A 57 -3.544 1.855 -11.069 1.00 41.31 C ATOM 858 NH1 ARG A 57 -3.441 3.045 -11.582 1.00 53.02 N ATOM 859 NH2 ARG A 57 -4.704 1.295 -11.009 1.00 22.11 N ATOM 0 H ARG A 57 -1.767 1.962 -7.539 1.00 64.55 H new ATOM 0 HA ARG A 57 -1.970 -0.633 -8.715 1.00 32.23 H new ATOM 0 HB2 ARG A 57 0.222 1.334 -8.072 1.00 51.45 H new ATOM 0 HB3 ARG A 57 0.702 -0.326 -8.361 1.00 51.45 H new ATOM 0 HG2 ARG A 57 0.909 1.004 -10.413 1.00 62.52 H new ATOM 0 HG3 ARG A 57 -0.280 -0.267 -10.619 1.00 62.52 H new ATOM 0 HD2 ARG A 57 -1.079 2.586 -9.923 1.00 43.12 H new ATOM 0 HD3 ARG A 57 -0.842 2.066 -11.579 1.00 43.12 H new ATOM 0 HE ARG A 57 -2.650 0.260 -10.260 1.00 32.13 H new ATOM 0 HH11 ARG A 57 -2.529 3.497 -11.642 1.00 53.02 H new ATOM 0 HH12 ARG A 57 -4.272 3.526 -11.925 1.00 53.02 H new ATOM 0 HH21 ARG A 57 -4.799 0.359 -10.615 1.00 22.11 H new ATOM 0 HH22 ARG A 57 -5.527 1.788 -11.356 1.00 22.11 H new ATOM 873 N VAL A 58 -1.053 -0.515 -5.561 1.00 11.11 N ATOM 874 CA VAL A 58 -0.937 -1.328 -4.336 1.00 43.44 C ATOM 875 C VAL A 58 -2.236 -2.148 -4.102 1.00 74.03 C ATOM 876 O VAL A 58 -2.171 -3.325 -3.733 1.00 5.31 O ATOM 877 CB VAL A 58 -0.607 -0.432 -3.082 1.00 62.13 C ATOM 878 CG1 VAL A 58 -0.558 -1.271 -1.790 1.00 33.41 C ATOM 879 CG2 VAL A 58 0.725 0.335 -3.287 1.00 40.30 C ATOM 0 H VAL A 58 -1.049 0.491 -5.392 1.00 11.11 H new ATOM 0 HA VAL A 58 -0.109 -2.023 -4.472 1.00 43.44 H new ATOM 0 HB VAL A 58 -1.410 0.297 -2.976 1.00 62.13 H new ATOM 0 HG11 VAL A 58 -0.328 -0.623 -0.944 1.00 33.41 H new ATOM 0 HG12 VAL A 58 -1.525 -1.748 -1.629 1.00 33.41 H new ATOM 0 HG13 VAL A 58 0.214 -2.035 -1.882 1.00 33.41 H new ATOM 0 HG21 VAL A 58 0.932 0.946 -2.409 1.00 40.30 H new ATOM 0 HG22 VAL A 58 1.537 -0.378 -3.432 1.00 40.30 H new ATOM 0 HG23 VAL A 58 0.644 0.976 -4.165 1.00 40.30 H new ATOM 889 N ILE A 59 -3.407 -1.514 -4.343 1.00 60.12 N ATOM 890 CA ILE A 59 -4.720 -2.204 -4.307 1.00 31.33 C ATOM 891 C ILE A 59 -4.740 -3.377 -5.333 1.00 44.43 C ATOM 892 O ILE A 59 -5.057 -4.508 -4.959 1.00 11.22 O ATOM 893 CB ILE A 59 -5.921 -1.207 -4.582 1.00 62.41 C ATOM 894 CG1 ILE A 59 -5.990 -0.098 -3.476 1.00 1.41 C ATOM 895 CG2 ILE A 59 -7.278 -1.953 -4.689 1.00 13.41 C ATOM 896 CD1 ILE A 59 -7.040 0.985 -3.704 1.00 55.05 C ATOM 0 H ILE A 59 -3.470 -0.521 -4.566 1.00 60.12 H new ATOM 0 HA ILE A 59 -4.854 -2.605 -3.302 1.00 31.33 H new ATOM 0 HB ILE A 59 -5.731 -0.730 -5.543 1.00 62.41 H new ATOM 0 HG12 ILE A 59 -6.188 -0.576 -2.517 1.00 1.41 H new ATOM 0 HG13 ILE A 59 -5.012 0.377 -3.400 1.00 1.41 H new ATOM 0 HG21 ILE A 59 -8.075 -1.234 -4.878 1.00 13.41 H new ATOM 0 HG22 ILE A 59 -7.235 -2.670 -5.509 1.00 13.41 H new ATOM 0 HG23 ILE A 59 -7.478 -2.480 -3.756 1.00 13.41 H new ATOM 0 HD11 ILE A 59 -7.006 1.703 -2.884 1.00 55.05 H new ATOM 0 HD12 ILE A 59 -6.836 1.498 -4.644 1.00 55.05 H new ATOM 0 HD13 ILE A 59 -8.029 0.529 -3.747 1.00 55.05 H new ATOM 908 N ASP A 60 -4.350 -3.088 -6.606 1.00 53.33 N ATOM 909 CA ASP A 60 -4.230 -4.111 -7.688 1.00 10.40 C ATOM 910 C ASP A 60 -3.393 -5.332 -7.232 1.00 42.12 C ATOM 911 O ASP A 60 -3.835 -6.480 -7.343 1.00 45.41 O ATOM 912 CB ASP A 60 -3.580 -3.504 -8.971 1.00 72.24 C ATOM 913 CG ASP A 60 -4.463 -2.482 -9.702 1.00 61.21 C ATOM 914 OD1 ASP A 60 -5.567 -2.855 -10.156 1.00 54.33 O ATOM 915 OD2 ASP A 60 -4.053 -1.318 -9.866 1.00 53.31 O ATOM 0 H ASP A 60 -4.111 -2.145 -6.911 1.00 53.33 H new ATOM 0 HA ASP A 60 -5.244 -4.441 -7.916 1.00 10.40 H new ATOM 0 HB2 ASP A 60 -2.640 -3.025 -8.696 1.00 72.24 H new ATOM 0 HB3 ASP A 60 -3.336 -4.314 -9.659 1.00 72.24 H new ATOM 920 N TYR A 61 -2.204 -5.039 -6.687 1.00 62.12 N ATOM 921 CA TYR A 61 -1.229 -6.053 -6.239 1.00 54.31 C ATOM 922 C TYR A 61 -1.825 -7.016 -5.182 1.00 2.44 C ATOM 923 O TYR A 61 -1.830 -8.241 -5.376 1.00 4.20 O ATOM 924 CB TYR A 61 0.028 -5.338 -5.678 1.00 70.33 C ATOM 925 CG TYR A 61 1.093 -6.279 -5.092 1.00 3.20 C ATOM 926 CD1 TYR A 61 1.710 -7.242 -5.888 1.00 64.33 C ATOM 927 CD2 TYR A 61 1.473 -6.201 -3.751 1.00 72.04 C ATOM 928 CE1 TYR A 61 2.666 -8.095 -5.369 1.00 31.41 C ATOM 929 CE2 TYR A 61 2.427 -7.050 -3.234 1.00 71.12 C ATOM 930 CZ TYR A 61 3.022 -7.991 -4.042 1.00 44.24 C ATOM 931 OH TYR A 61 3.966 -8.843 -3.518 1.00 31.11 O ATOM 0 H TYR A 61 -1.885 -4.081 -6.542 1.00 62.12 H new ATOM 0 HA TYR A 61 -0.956 -6.664 -7.099 1.00 54.31 H new ATOM 0 HB2 TYR A 61 0.481 -4.750 -6.476 1.00 70.33 H new ATOM 0 HB3 TYR A 61 -0.284 -4.637 -4.904 1.00 70.33 H new ATOM 0 HD1 TYR A 61 1.436 -7.323 -6.930 1.00 64.33 H new ATOM 0 HD2 TYR A 61 1.012 -5.464 -3.109 1.00 72.04 H new ATOM 0 HE1 TYR A 61 3.131 -8.838 -6.000 1.00 31.41 H new ATOM 0 HE2 TYR A 61 2.708 -6.977 -2.194 1.00 71.12 H new ATOM 0 HH TYR A 61 4.103 -9.596 -4.130 1.00 31.11 H new ATOM 941 N ILE A 62 -2.345 -6.444 -4.085 1.00 71.23 N ATOM 942 CA ILE A 62 -2.842 -7.225 -2.932 1.00 30.25 C ATOM 943 C ILE A 62 -4.143 -8.028 -3.286 1.00 41.50 C ATOM 944 O ILE A 62 -4.417 -9.076 -2.678 1.00 24.03 O ATOM 945 CB ILE A 62 -3.054 -6.295 -1.668 1.00 53.34 C ATOM 946 CG1 ILE A 62 -1.774 -5.430 -1.378 1.00 11.23 C ATOM 947 CG2 ILE A 62 -3.401 -7.128 -0.417 1.00 31.43 C ATOM 948 CD1 ILE A 62 -1.902 -4.451 -0.208 1.00 73.22 C ATOM 0 H ILE A 62 -2.434 -5.435 -3.968 1.00 71.23 H new ATOM 0 HA ILE A 62 -2.078 -7.961 -2.680 1.00 30.25 H new ATOM 0 HB ILE A 62 -3.887 -5.630 -1.895 1.00 53.34 H new ATOM 0 HG12 ILE A 62 -0.938 -6.101 -1.180 1.00 11.23 H new ATOM 0 HG13 ILE A 62 -1.524 -4.867 -2.277 1.00 11.23 H new ATOM 0 HG21 ILE A 62 -3.541 -6.463 0.435 1.00 31.43 H new ATOM 0 HG22 ILE A 62 -4.319 -7.687 -0.596 1.00 31.43 H new ATOM 0 HG23 ILE A 62 -2.588 -7.823 -0.206 1.00 31.43 H new ATOM 0 HD11 ILE A 62 -0.968 -3.902 -0.089 1.00 73.22 H new ATOM 0 HD12 ILE A 62 -2.712 -3.750 -0.407 1.00 73.22 H new ATOM 0 HD13 ILE A 62 -2.117 -5.003 0.707 1.00 73.22 H new ATOM 960 N LEU A 63 -4.927 -7.534 -4.279 1.00 63.43 N ATOM 961 CA LEU A 63 -6.088 -8.281 -4.846 1.00 24.35 C ATOM 962 C LEU A 63 -5.664 -9.643 -5.461 1.00 52.44 C ATOM 963 O LEU A 63 -6.274 -10.670 -5.166 1.00 15.02 O ATOM 964 CB LEU A 63 -6.820 -7.434 -5.929 1.00 71.32 C ATOM 965 CG LEU A 63 -7.632 -6.204 -5.421 1.00 72.05 C ATOM 966 CD1 LEU A 63 -8.185 -5.371 -6.604 1.00 63.34 C ATOM 967 CD2 LEU A 63 -8.756 -6.642 -4.453 1.00 4.23 C ATOM 0 H LEU A 63 -4.778 -6.620 -4.706 1.00 63.43 H new ATOM 0 HA LEU A 63 -6.766 -8.477 -4.015 1.00 24.35 H new ATOM 0 HB2 LEU A 63 -6.078 -7.080 -6.644 1.00 71.32 H new ATOM 0 HB3 LEU A 63 -7.500 -8.090 -6.473 1.00 71.32 H new ATOM 0 HG LEU A 63 -6.953 -5.560 -4.862 1.00 72.05 H new ATOM 0 HD11 LEU A 63 -8.747 -4.520 -6.219 1.00 63.34 H new ATOM 0 HD12 LEU A 63 -7.357 -5.012 -7.215 1.00 63.34 H new ATOM 0 HD13 LEU A 63 -8.841 -5.994 -7.212 1.00 63.34 H new ATOM 0 HD21 LEU A 63 -9.307 -5.765 -4.114 1.00 4.23 H new ATOM 0 HD22 LEU A 63 -9.436 -7.320 -4.968 1.00 4.23 H new ATOM 0 HD23 LEU A 63 -8.319 -7.150 -3.594 1.00 4.23 H new ATOM 979 N ASP A 64 -4.622 -9.622 -6.322 1.00 43.22 N ATOM 980 CA ASP A 64 -4.100 -10.836 -7.005 1.00 62.34 C ATOM 981 C ASP A 64 -3.544 -11.892 -6.013 1.00 42.12 C ATOM 982 O ASP A 64 -3.597 -13.094 -6.281 1.00 21.24 O ATOM 983 CB ASP A 64 -3.011 -10.439 -8.036 1.00 75.22 C ATOM 984 CG ASP A 64 -3.587 -9.680 -9.242 1.00 11.11 C ATOM 985 OD1 ASP A 64 -4.278 -10.310 -10.070 1.00 10.12 O ATOM 986 OD2 ASP A 64 -3.367 -8.464 -9.372 1.00 70.14 O ATOM 0 H ASP A 64 -4.118 -8.769 -6.565 1.00 43.22 H new ATOM 0 HA ASP A 64 -4.941 -11.300 -7.519 1.00 62.34 H new ATOM 0 HB2 ASP A 64 -2.261 -9.819 -7.546 1.00 75.22 H new ATOM 0 HB3 ASP A 64 -2.503 -11.337 -8.386 1.00 75.22 H new ATOM 991 N LEU A 65 -3.004 -11.415 -4.881 1.00 12.45 N ATOM 992 CA LEU A 65 -2.470 -12.290 -3.811 1.00 44.52 C ATOM 993 C LEU A 65 -3.613 -13.019 -3.063 1.00 24.53 C ATOM 994 O LEU A 65 -3.504 -14.201 -2.715 1.00 5.30 O ATOM 995 CB LEU A 65 -1.630 -11.452 -2.813 1.00 65.14 C ATOM 996 CG LEU A 65 -0.499 -10.585 -3.446 1.00 62.33 C ATOM 997 CD1 LEU A 65 0.263 -9.784 -2.372 1.00 20.53 C ATOM 998 CD2 LEU A 65 0.462 -11.438 -4.308 1.00 61.43 C ATOM 0 H LEU A 65 -2.923 -10.419 -4.676 1.00 12.45 H new ATOM 0 HA LEU A 65 -1.834 -13.044 -4.273 1.00 44.52 H new ATOM 0 HB2 LEU A 65 -2.303 -10.794 -2.263 1.00 65.14 H new ATOM 0 HB3 LEU A 65 -1.181 -12.129 -2.086 1.00 65.14 H new ATOM 0 HG LEU A 65 -0.976 -9.867 -4.113 1.00 62.33 H new ATOM 0 HD11 LEU A 65 1.044 -9.191 -2.847 1.00 20.53 H new ATOM 0 HD12 LEU A 65 -0.430 -9.122 -1.852 1.00 20.53 H new ATOM 0 HD13 LEU A 65 0.714 -10.472 -1.657 1.00 20.53 H new ATOM 0 HD21 LEU A 65 1.236 -10.798 -4.732 1.00 61.43 H new ATOM 0 HD22 LEU A 65 0.925 -12.204 -3.686 1.00 61.43 H new ATOM 0 HD23 LEU A 65 -0.097 -11.913 -5.114 1.00 61.43 H new ATOM 1010 N GLN A 66 -4.701 -12.279 -2.823 1.00 33.32 N ATOM 1011 CA GLN A 66 -5.915 -12.793 -2.154 1.00 72.45 C ATOM 1012 C GLN A 66 -7.004 -13.145 -3.198 1.00 72.35 C ATOM 1013 O GLN A 66 -6.698 -13.375 -4.372 1.00 10.02 O ATOM 1014 CB GLN A 66 -6.432 -11.715 -1.160 1.00 63.42 C ATOM 1015 CG GLN A 66 -5.415 -11.302 -0.082 1.00 21.32 C ATOM 1016 CD GLN A 66 -5.963 -10.223 0.856 1.00 44.43 C ATOM 1017 OE1 GLN A 66 -5.884 -8.983 0.430 1.00 72.10 O flip ATOM 1018 NE2 GLN A 66 -6.497 -10.500 1.928 1.00 3.20 N flip ATOM 0 H GLN A 66 -4.770 -11.296 -3.088 1.00 33.32 H new ATOM 0 HA GLN A 66 -5.675 -13.705 -1.608 1.00 72.45 H new ATOM 0 HB2 GLN A 66 -6.725 -10.829 -1.724 1.00 63.42 H new ATOM 0 HB3 GLN A 66 -7.330 -12.092 -0.670 1.00 63.42 H new ATOM 0 HG2 GLN A 66 -5.133 -12.178 0.502 1.00 21.32 H new ATOM 0 HG3 GLN A 66 -4.509 -10.935 -0.563 1.00 21.32 H new ATOM 0 HE21 GLN A 66 -6.546 -11.471 2.237 1.00 3.20 H new ATOM 0 HE22 GLN A 66 -6.891 -9.759 2.508 1.00 3.20 H new ATOM 1431 N ASP B 27 -11.534 13.305 0.099 1.00 74.31 N ATOM 1432 CA ASP B 27 -10.198 12.709 0.243 1.00 3.44 C ATOM 1433 C ASP B 27 -10.134 11.368 -0.524 1.00 51.31 C ATOM 1434 O ASP B 27 -10.330 10.289 0.054 1.00 32.12 O ATOM 1435 CB ASP B 27 -9.851 12.490 1.732 1.00 42.43 C ATOM 1436 CG ASP B 27 -10.009 13.751 2.583 1.00 14.34 C ATOM 1437 OD1 ASP B 27 -11.112 13.973 3.109 1.00 53.33 O ATOM 1438 OD2 ASP B 27 -9.030 14.510 2.741 1.00 4.30 O ATOM 0 HA ASP B 27 -9.465 13.397 -0.179 1.00 3.44 H new ATOM 0 HB2 ASP B 27 -10.491 11.706 2.135 1.00 42.43 H new ATOM 0 HB3 ASP B 27 -8.824 12.134 1.810 1.00 42.43 H new ATOM 1443 N ASP B 28 -9.901 11.471 -1.843 1.00 43.25 N ATOM 1444 CA ASP B 28 -9.651 10.315 -2.741 1.00 3.13 C ATOM 1445 C ASP B 28 -8.529 9.394 -2.183 1.00 65.13 C ATOM 1446 O ASP B 28 -8.584 8.164 -2.318 1.00 61.22 O ATOM 1447 CB ASP B 28 -9.284 10.843 -4.162 1.00 15.43 C ATOM 1448 CG ASP B 28 -8.276 12.004 -4.118 1.00 60.30 C ATOM 1449 OD1 ASP B 28 -7.065 11.746 -3.995 1.00 22.12 O ATOM 1450 OD2 ASP B 28 -8.695 13.179 -4.154 1.00 4.34 O ATOM 0 H ASP B 28 -9.879 12.368 -2.328 1.00 43.25 H new ATOM 0 HA ASP B 28 -10.557 9.712 -2.801 1.00 3.13 H new ATOM 0 HB2 ASP B 28 -8.868 10.027 -4.753 1.00 15.43 H new ATOM 0 HB3 ASP B 28 -10.191 11.173 -4.669 1.00 15.43 H new ATOM 1455 N MET B 29 -7.532 10.029 -1.535 1.00 74.22 N ATOM 1456 CA MET B 29 -6.448 9.338 -0.827 1.00 62.52 C ATOM 1457 C MET B 29 -6.984 8.453 0.319 1.00 45.24 C ATOM 1458 O MET B 29 -6.616 7.293 0.420 1.00 72.41 O ATOM 1459 CB MET B 29 -5.437 10.367 -0.261 1.00 4.34 C ATOM 1460 CG MET B 29 -4.824 11.315 -1.315 1.00 43.24 C ATOM 1461 SD MET B 29 -3.073 11.639 -1.025 1.00 11.11 S ATOM 1462 CE MET B 29 -2.405 9.977 -1.167 1.00 70.05 C ATOM 0 H MET B 29 -7.461 11.046 -1.491 1.00 74.22 H new ATOM 0 HA MET B 29 -5.948 8.690 -1.548 1.00 62.52 H new ATOM 0 HB2 MET B 29 -5.937 10.966 0.500 1.00 4.34 H new ATOM 0 HB3 MET B 29 -4.630 9.828 0.236 1.00 4.34 H new ATOM 0 HG2 MET B 29 -4.949 10.879 -2.306 1.00 43.24 H new ATOM 0 HG3 MET B 29 -5.370 12.259 -1.310 1.00 43.24 H new ATOM 0 HE1 MET B 29 -1.729 9.784 -0.334 1.00 70.05 H new ATOM 0 HE2 MET B 29 -3.221 9.254 -1.148 1.00 70.05 H new ATOM 0 HE3 MET B 29 -1.859 9.883 -2.106 1.00 70.05 H new ATOM 1472 N ASN B 30 -7.871 9.025 1.163 1.00 72.11 N ATOM 1473 CA ASN B 30 -8.453 8.324 2.338 1.00 43.33 C ATOM 1474 C ASN B 30 -9.373 7.154 1.905 1.00 11.43 C ATOM 1475 O ASN B 30 -9.467 6.149 2.607 1.00 42.31 O ATOM 1476 CB ASN B 30 -9.210 9.338 3.239 1.00 1.02 C ATOM 1477 CG ASN B 30 -9.899 8.704 4.458 1.00 20.14 C ATOM 1478 OD1 ASN B 30 -9.293 8.517 5.507 1.00 13.02 O ATOM 1479 ND2 ASN B 30 -11.171 8.378 4.327 1.00 24.42 N ATOM 0 H ASN B 30 -8.205 9.982 1.053 1.00 72.11 H new ATOM 0 HA ASN B 30 -7.639 7.888 2.916 1.00 43.33 H new ATOM 0 HB2 ASN B 30 -8.506 10.095 3.586 1.00 1.02 H new ATOM 0 HB3 ASN B 30 -9.960 9.852 2.638 1.00 1.02 H new ATOM 0 HD21 ASN B 30 -11.673 7.960 5.110 1.00 24.42 H new ATOM 0 HD22 ASN B 30 -11.652 8.544 3.443 1.00 24.42 H new ATOM 1486 N HIS B 31 -10.044 7.297 0.741 1.00 11.54 N ATOM 1487 CA HIS B 31 -10.878 6.214 0.158 1.00 73.10 C ATOM 1488 C HIS B 31 -10.004 5.017 -0.312 1.00 5.44 C ATOM 1489 O HIS B 31 -10.378 3.847 -0.132 1.00 70.33 O ATOM 1490 CB HIS B 31 -11.761 6.751 -0.999 1.00 0.34 C ATOM 1491 CG HIS B 31 -12.826 7.715 -0.531 1.00 44.03 C ATOM 1492 ND1 HIS B 31 -13.779 7.335 0.384 1.00 4.25 N ATOM 1493 CD2 HIS B 31 -13.023 9.015 -0.843 1.00 64.13 C ATOM 1494 CE1 HIS B 31 -14.518 8.405 0.605 1.00 42.35 C ATOM 1495 NE2 HIS B 31 -14.098 9.447 -0.116 1.00 53.53 N ATOM 0 H HIS B 31 -10.026 8.151 0.184 1.00 11.54 H new ATOM 0 HA HIS B 31 -11.541 5.849 0.942 1.00 73.10 H new ATOM 0 HB2 HIS B 31 -11.126 7.248 -1.733 1.00 0.34 H new ATOM 0 HB3 HIS B 31 -12.236 5.911 -1.506 1.00 0.34 H new ATOM 0 HD2 HIS B 31 -12.440 9.603 -1.537 1.00 64.13 H new ATOM 0 HE1 HIS B 31 -15.357 8.434 1.284 1.00 42.35 H new ATOM 0 HE2 HIS B 31 -14.501 10.384 -0.123 1.00 53.53 H new ATOM 1503 N CYS B 32 -8.831 5.331 -0.900 1.00 5.51 N ATOM 1504 CA CYS B 32 -7.816 4.316 -1.286 1.00 21.15 C ATOM 1505 C CYS B 32 -7.177 3.655 -0.034 1.00 62.04 C ATOM 1506 O CYS B 32 -7.030 2.430 0.027 1.00 34.11 O ATOM 1507 CB CYS B 32 -6.724 4.958 -2.173 1.00 3.42 C ATOM 1508 SG CYS B 32 -7.347 5.684 -3.712 1.00 71.40 S ATOM 0 H CYS B 32 -8.557 6.288 -1.122 1.00 5.51 H new ATOM 0 HA CYS B 32 -8.320 3.536 -1.857 1.00 21.15 H new ATOM 0 HB2 CYS B 32 -6.215 5.733 -1.599 1.00 3.42 H new ATOM 0 HB3 CYS B 32 -5.979 4.201 -2.417 1.00 3.42 H new ATOM 0 HG CYS B 32 -7.956 6.802 -3.449 1.00 71.40 H new ATOM 1514 N TYR B 33 -6.817 4.494 0.960 1.00 22.21 N ATOM 1515 CA TYR B 33 -6.249 4.062 2.263 1.00 22.34 C ATOM 1516 C TYR B 33 -7.216 3.123 3.030 1.00 43.32 C ATOM 1517 O TYR B 33 -6.782 2.179 3.705 1.00 40.42 O ATOM 1518 CB TYR B 33 -5.939 5.302 3.151 1.00 3.21 C ATOM 1519 CG TYR B 33 -4.648 6.083 2.834 1.00 73.44 C ATOM 1520 CD1 TYR B 33 -3.452 5.422 2.561 1.00 24.44 C ATOM 1521 CD2 TYR B 33 -4.613 7.481 2.890 1.00 2.21 C ATOM 1522 CE1 TYR B 33 -2.279 6.116 2.355 1.00 63.45 C ATOM 1523 CE2 TYR B 33 -3.444 8.179 2.668 1.00 13.42 C ATOM 1524 CZ TYR B 33 -2.278 7.494 2.407 1.00 13.34 C ATOM 1525 OH TYR B 33 -1.106 8.191 2.211 1.00 14.02 O ATOM 0 H TYR B 33 -6.913 5.507 0.883 1.00 22.21 H new ATOM 0 HA TYR B 33 -5.332 3.514 2.049 1.00 22.34 H new ATOM 0 HB2 TYR B 33 -6.780 5.992 3.076 1.00 3.21 H new ATOM 0 HB3 TYR B 33 -5.890 4.972 4.189 1.00 3.21 H new ATOM 0 HD1 TYR B 33 -3.444 4.343 2.510 1.00 24.44 H new ATOM 0 HD2 TYR B 33 -5.520 8.024 3.112 1.00 2.21 H new ATOM 0 HE1 TYR B 33 -1.362 5.582 2.153 1.00 63.45 H new ATOM 0 HE2 TYR B 33 -3.443 9.259 2.699 1.00 13.42 H new ATOM 0 HH TYR B 33 -0.741 7.976 1.327 1.00 14.02 H new ATOM 1535 N SER B 34 -8.525 3.426 2.936 1.00 32.33 N ATOM 1536 CA SER B 34 -9.596 2.622 3.565 1.00 42.14 C ATOM 1537 C SER B 34 -9.642 1.202 2.968 1.00 15.24 C ATOM 1538 O SER B 34 -9.740 0.217 3.706 1.00 25.32 O ATOM 1539 CB SER B 34 -10.973 3.306 3.388 1.00 13.32 C ATOM 1540 OG SER B 34 -12.005 2.593 4.056 1.00 4.12 O ATOM 0 H SER B 34 -8.872 4.236 2.422 1.00 32.33 H new ATOM 0 HA SER B 34 -9.371 2.549 4.629 1.00 42.14 H new ATOM 0 HB2 SER B 34 -10.926 4.324 3.774 1.00 13.32 H new ATOM 0 HB3 SER B 34 -11.209 3.378 2.326 1.00 13.32 H new ATOM 0 HG SER B 34 -12.860 3.054 3.924 1.00 4.12 H new ATOM 1546 N ARG B 35 -9.536 1.114 1.623 1.00 31.42 N ATOM 1547 CA ARG B 35 -9.521 -0.167 0.902 1.00 4.51 C ATOM 1548 C ARG B 35 -8.215 -0.954 1.160 1.00 63.25 C ATOM 1549 O ARG B 35 -8.226 -2.183 1.170 1.00 11.05 O ATOM 1550 CB ARG B 35 -9.754 0.071 -0.604 1.00 5.40 C ATOM 1551 CG ARG B 35 -9.993 -1.237 -1.400 1.00 2.34 C ATOM 1552 CD ARG B 35 -10.999 -1.076 -2.551 1.00 24.35 C ATOM 1553 NE ARG B 35 -10.502 -0.202 -3.629 1.00 41.43 N ATOM 1554 CZ ARG B 35 -10.975 0.994 -3.939 1.00 62.01 C ATOM 1555 NH1 ARG B 35 -11.901 1.562 -3.223 1.00 42.33 N ATOM 1556 NH2 ARG B 35 -10.495 1.621 -4.964 1.00 4.14 N ATOM 0 H ARG B 35 -9.459 1.929 1.014 1.00 31.42 H new ATOM 0 HA ARG B 35 -10.336 -0.783 1.282 1.00 4.51 H new ATOM 0 HB2 ARG B 35 -10.614 0.729 -0.732 1.00 5.40 H new ATOM 0 HB3 ARG B 35 -8.891 0.590 -1.021 1.00 5.40 H new ATOM 0 HG2 ARG B 35 -9.043 -1.586 -1.804 1.00 2.34 H new ATOM 0 HG3 ARG B 35 -10.352 -2.008 -0.718 1.00 2.34 H new ATOM 0 HD2 ARG B 35 -11.231 -2.058 -2.964 1.00 24.35 H new ATOM 0 HD3 ARG B 35 -11.930 -0.667 -2.159 1.00 24.35 H new ATOM 0 HE ARG B 35 -9.723 -0.551 -4.187 1.00 41.43 H new ATOM 0 HH11 ARG B 35 -12.277 1.085 -2.404 1.00 42.33 H new ATOM 0 HH12 ARG B 35 -12.251 2.485 -3.481 1.00 42.33 H new ATOM 0 HH21 ARG B 35 -9.759 1.193 -5.525 1.00 4.14 H new ATOM 0 HH22 ARG B 35 -10.853 2.544 -5.211 1.00 4.14 H new ATOM 1570 N LEU B 36 -7.099 -0.235 1.396 1.00 31.35 N ATOM 1571 CA LEU B 36 -5.842 -0.858 1.862 1.00 30.12 C ATOM 1572 C LEU B 36 -6.054 -1.516 3.245 1.00 23.10 C ATOM 1573 O LEU B 36 -5.657 -2.642 3.457 1.00 53.22 O ATOM 1574 CB LEU B 36 -4.693 0.178 1.927 1.00 33.51 C ATOM 1575 CG LEU B 36 -4.247 0.784 0.558 1.00 24.33 C ATOM 1576 CD1 LEU B 36 -3.125 1.829 0.742 1.00 44.02 C ATOM 1577 CD2 LEU B 36 -3.833 -0.327 -0.434 1.00 3.24 C ATOM 0 H LEU B 36 -7.042 0.776 1.272 1.00 31.35 H new ATOM 0 HA LEU B 36 -5.558 -1.627 1.144 1.00 30.12 H new ATOM 0 HB2 LEU B 36 -5.001 0.994 2.581 1.00 33.51 H new ATOM 0 HB3 LEU B 36 -3.828 -0.295 2.393 1.00 33.51 H new ATOM 0 HG LEU B 36 -5.104 1.304 0.130 1.00 24.33 H new ATOM 0 HD11 LEU B 36 -2.839 2.230 -0.230 1.00 44.02 H new ATOM 0 HD12 LEU B 36 -3.483 2.639 1.378 1.00 44.02 H new ATOM 0 HD13 LEU B 36 -2.261 1.356 1.208 1.00 44.02 H new ATOM 0 HD21 LEU B 36 -3.527 0.124 -1.378 1.00 3.24 H new ATOM 0 HD22 LEU B 36 -3.002 -0.896 -0.017 1.00 3.24 H new ATOM 0 HD23 LEU B 36 -4.678 -0.994 -0.607 1.00 3.24 H new ATOM 1589 N ARG B 37 -6.745 -0.814 4.166 1.00 62.24 N ATOM 1590 CA ARG B 37 -7.066 -1.353 5.524 1.00 61.41 C ATOM 1591 C ARG B 37 -8.096 -2.517 5.485 1.00 1.15 C ATOM 1592 O ARG B 37 -8.361 -3.150 6.510 1.00 32.22 O ATOM 1593 CB ARG B 37 -7.541 -0.213 6.487 1.00 13.44 C ATOM 1594 CG ARG B 37 -6.439 0.413 7.396 1.00 22.44 C ATOM 1595 CD ARG B 37 -5.283 1.105 6.632 1.00 53.21 C ATOM 1596 NE ARG B 37 -4.431 0.169 5.861 1.00 43.42 N ATOM 1597 CZ ARG B 37 -3.219 -0.230 6.186 1.00 2.40 C ATOM 1598 NH1 ARG B 37 -2.609 0.249 7.215 1.00 31.31 N ATOM 1599 NH2 ARG B 37 -2.620 -1.098 5.447 1.00 20.51 N ATOM 0 H ARG B 37 -7.096 0.130 4.004 1.00 62.24 H new ATOM 0 HA ARG B 37 -6.139 -1.772 5.916 1.00 61.41 H new ATOM 0 HB2 ARG B 37 -7.985 0.582 5.887 1.00 13.44 H new ATOM 0 HB3 ARG B 37 -8.330 -0.609 7.126 1.00 13.44 H new ATOM 0 HG2 ARG B 37 -6.905 1.142 8.059 1.00 22.44 H new ATOM 0 HG3 ARG B 37 -6.021 -0.370 8.028 1.00 22.44 H new ATOM 0 HD2 ARG B 37 -5.702 1.845 5.951 1.00 53.21 H new ATOM 0 HD3 ARG B 37 -4.660 1.645 7.345 1.00 53.21 H new ATOM 0 HE ARG B 37 -4.821 -0.202 4.995 1.00 43.42 H new ATOM 0 HH11 ARG B 37 -3.065 0.952 7.797 1.00 31.31 H new ATOM 0 HH12 ARG B 37 -1.670 -0.075 7.448 1.00 31.31 H new ATOM 0 HH21 ARG B 37 -3.085 -1.470 4.619 1.00 20.51 H new ATOM 0 HH22 ARG B 37 -1.681 -1.414 5.690 1.00 20.51 H new ATOM 1613 N GLU B 38 -8.670 -2.775 4.298 1.00 41.42 N ATOM 1614 CA GLU B 38 -9.559 -3.933 4.056 1.00 41.52 C ATOM 1615 C GLU B 38 -8.741 -5.127 3.504 1.00 43.51 C ATOM 1616 O GLU B 38 -8.974 -6.288 3.859 1.00 53.33 O ATOM 1617 CB GLU B 38 -10.682 -3.547 3.052 1.00 71.43 C ATOM 1618 CG GLU B 38 -11.637 -2.433 3.543 1.00 55.42 C ATOM 1619 CD GLU B 38 -12.762 -2.100 2.544 1.00 62.54 C ATOM 1620 OE1 GLU B 38 -13.746 -2.869 2.469 1.00 21.44 O ATOM 1621 OE2 GLU B 38 -12.676 -1.068 1.838 1.00 11.45 O ATOM 0 H GLU B 38 -8.533 -2.188 3.475 1.00 41.42 H new ATOM 0 HA GLU B 38 -10.017 -4.226 5.001 1.00 41.52 H new ATOM 0 HB2 GLU B 38 -10.220 -3.225 2.119 1.00 71.43 H new ATOM 0 HB3 GLU B 38 -11.270 -4.437 2.827 1.00 71.43 H new ATOM 0 HG2 GLU B 38 -12.082 -2.739 4.490 1.00 55.42 H new ATOM 0 HG3 GLU B 38 -11.058 -1.531 3.740 1.00 55.42 H new ATOM 1628 N LEU B 39 -7.775 -4.806 2.623 1.00 54.31 N ATOM 1629 CA LEU B 39 -6.910 -5.807 1.951 1.00 22.44 C ATOM 1630 C LEU B 39 -5.670 -6.195 2.798 1.00 70.43 C ATOM 1631 O LEU B 39 -4.970 -7.154 2.472 1.00 3.24 O ATOM 1632 CB LEU B 39 -6.460 -5.262 0.569 1.00 70.21 C ATOM 1633 CG LEU B 39 -7.598 -4.940 -0.448 1.00 43.10 C ATOM 1634 CD1 LEU B 39 -7.021 -4.384 -1.769 1.00 64.34 C ATOM 1635 CD2 LEU B 39 -8.505 -6.173 -0.698 1.00 53.45 C ATOM 0 H LEU B 39 -7.568 -3.844 2.353 1.00 54.31 H new ATOM 0 HA LEU B 39 -7.502 -6.713 1.824 1.00 22.44 H new ATOM 0 HB2 LEU B 39 -5.879 -4.354 0.731 1.00 70.21 H new ATOM 0 HB3 LEU B 39 -5.791 -5.992 0.114 1.00 70.21 H new ATOM 0 HG LEU B 39 -8.225 -4.164 -0.008 1.00 43.10 H new ATOM 0 HD11 LEU B 39 -7.836 -4.168 -2.460 1.00 64.34 H new ATOM 0 HD12 LEU B 39 -6.465 -3.469 -1.566 1.00 64.34 H new ATOM 0 HD13 LEU B 39 -6.354 -5.122 -2.214 1.00 64.34 H new ATOM 0 HD21 LEU B 39 -9.286 -5.911 -1.412 1.00 53.45 H new ATOM 0 HD22 LEU B 39 -7.906 -6.990 -1.100 1.00 53.45 H new ATOM 0 HD23 LEU B 39 -8.961 -6.485 0.241 1.00 53.45 H new ATOM 1647 N VAL B 40 -5.404 -5.443 3.881 1.00 61.23 N ATOM 1648 CA VAL B 40 -4.250 -5.691 4.784 1.00 30.54 C ATOM 1649 C VAL B 40 -4.727 -6.187 6.180 1.00 45.30 C ATOM 1650 O VAL B 40 -5.117 -5.374 7.030 1.00 41.44 O ATOM 1651 CB VAL B 40 -3.355 -4.392 4.944 1.00 51.31 C ATOM 1652 CG1 VAL B 40 -2.147 -4.616 5.887 1.00 2.31 C ATOM 1653 CG2 VAL B 40 -2.892 -3.875 3.562 1.00 13.12 C ATOM 0 H VAL B 40 -5.977 -4.647 4.160 1.00 61.23 H new ATOM 0 HA VAL B 40 -3.643 -6.472 4.327 1.00 30.54 H new ATOM 0 HB VAL B 40 -3.979 -3.630 5.411 1.00 51.31 H new ATOM 0 HG11 VAL B 40 -1.568 -3.696 5.961 1.00 2.31 H new ATOM 0 HG12 VAL B 40 -2.506 -4.900 6.876 1.00 2.31 H new ATOM 0 HG13 VAL B 40 -1.516 -5.410 5.488 1.00 2.31 H new ATOM 0 HG21 VAL B 40 -2.279 -2.983 3.694 1.00 13.12 H new ATOM 0 HG22 VAL B 40 -2.307 -4.647 3.062 1.00 13.12 H new ATOM 0 HG23 VAL B 40 -3.763 -3.630 2.955 1.00 13.12 H new ATOM 1663 N PRO B 41 -4.773 -7.541 6.414 1.00 24.11 N ATOM 1664 CA PRO B 41 -4.892 -8.116 7.780 1.00 64.11 C ATOM 1665 C PRO B 41 -3.576 -7.998 8.608 1.00 74.44 C ATOM 1666 O PRO B 41 -3.557 -8.361 9.786 1.00 34.42 O ATOM 1667 CB PRO B 41 -5.258 -9.599 7.508 1.00 44.24 C ATOM 1668 CG PRO B 41 -4.661 -9.889 6.167 1.00 41.43 C ATOM 1669 CD PRO B 41 -4.814 -8.608 5.375 1.00 50.23 C ATOM 0 HA PRO B 41 -5.630 -7.587 8.384 1.00 64.11 H new ATOM 0 HB2 PRO B 41 -4.850 -10.256 8.276 1.00 44.24 H new ATOM 0 HB3 PRO B 41 -6.338 -9.747 7.503 1.00 44.24 H new ATOM 0 HG2 PRO B 41 -3.612 -10.173 6.257 1.00 41.43 H new ATOM 0 HG3 PRO B 41 -5.175 -10.717 5.679 1.00 41.43 H new ATOM 0 HD2 PRO B 41 -4.011 -8.489 4.648 1.00 50.23 H new ATOM 0 HD3 PRO B 41 -5.752 -8.590 4.820 1.00 50.23 H new ATOM 1677 N GLY B 42 -2.479 -7.503 7.977 1.00 74.51 N ATOM 1678 CA GLY B 42 -1.199 -7.227 8.673 1.00 73.04 C ATOM 1679 C GLY B 42 -1.216 -5.902 9.451 1.00 2.02 C ATOM 1680 O GLY B 42 -0.384 -5.011 9.227 1.00 23.24 O ATOM 0 H GLY B 42 -2.459 -7.286 6.980 1.00 74.51 H new ATOM 0 HA2 GLY B 42 -0.982 -8.044 9.361 1.00 73.04 H new ATOM 0 HA3 GLY B 42 -0.391 -7.203 7.942 1.00 73.04 H new ATOM 1684 N VAL B 43 -2.195 -5.782 10.362 1.00 51.54 N ATOM 1685 CA VAL B 43 -2.411 -4.599 11.224 1.00 72.32 C ATOM 1686 C VAL B 43 -2.600 -5.068 12.698 1.00 61.11 C ATOM 1687 O VAL B 43 -3.447 -5.933 12.952 1.00 11.45 O ATOM 1688 CB VAL B 43 -3.688 -3.772 10.764 1.00 40.35 C ATOM 1689 CG1 VAL B 43 -4.013 -2.616 11.746 1.00 55.00 C ATOM 1690 CG2 VAL B 43 -3.530 -3.236 9.313 1.00 62.04 C ATOM 0 H VAL B 43 -2.878 -6.521 10.527 1.00 51.54 H new ATOM 0 HA VAL B 43 -1.539 -3.950 11.141 1.00 72.32 H new ATOM 0 HB VAL B 43 -4.531 -4.463 10.777 1.00 40.35 H new ATOM 0 HG11 VAL B 43 -4.892 -2.076 11.394 1.00 55.00 H new ATOM 0 HG12 VAL B 43 -4.210 -3.025 12.737 1.00 55.00 H new ATOM 0 HG13 VAL B 43 -3.165 -1.933 11.798 1.00 55.00 H new ATOM 0 HG21 VAL B 43 -4.422 -2.676 9.033 1.00 62.04 H new ATOM 0 HG22 VAL B 43 -2.659 -2.582 9.259 1.00 62.04 H new ATOM 0 HG23 VAL B 43 -3.398 -4.074 8.628 1.00 62.04 H new ATOM 1700 N PRO B 44 -1.804 -4.530 13.688 1.00 73.23 N ATOM 1701 CA PRO B 44 -2.035 -4.796 15.138 1.00 73.24 C ATOM 1702 C PRO B 44 -3.456 -4.359 15.599 1.00 45.21 C ATOM 1703 O PRO B 44 -3.921 -3.274 15.228 1.00 30.34 O ATOM 1704 CB PRO B 44 -0.926 -3.961 15.839 1.00 0.22 C ATOM 1705 CG PRO B 44 0.136 -3.791 14.790 1.00 34.31 C ATOM 1706 CD PRO B 44 -0.614 -3.664 13.485 1.00 4.02 C ATOM 0 HA PRO B 44 -1.987 -5.858 15.378 1.00 73.24 H new ATOM 0 HB2 PRO B 44 -1.308 -2.998 16.177 1.00 0.22 H new ATOM 0 HB3 PRO B 44 -0.537 -4.476 16.718 1.00 0.22 H new ATOM 0 HG2 PRO B 44 0.743 -2.906 14.983 1.00 34.31 H new ATOM 0 HG3 PRO B 44 0.814 -4.645 14.773 1.00 34.31 H new ATOM 0 HD2 PRO B 44 -0.898 -2.631 13.283 1.00 4.02 H new ATOM 0 HD3 PRO B 44 -0.012 -4.000 12.641 1.00 4.02 H new ATOM 1714 N ARG B 45 -4.133 -5.215 16.389 1.00 10.15 N ATOM 1715 CA ARG B 45 -5.522 -4.971 16.845 1.00 65.40 C ATOM 1716 C ARG B 45 -5.597 -3.797 17.856 1.00 34.04 C ATOM 1717 O ARG B 45 -4.663 -3.584 18.642 1.00 35.21 O ATOM 1718 CB ARG B 45 -6.119 -6.251 17.466 1.00 3.03 C ATOM 1719 CG ARG B 45 -6.096 -7.481 16.533 1.00 33.15 C ATOM 1720 CD ARG B 45 -6.848 -8.678 17.129 1.00 42.05 C ATOM 1721 NE ARG B 45 -8.307 -8.447 17.185 1.00 10.34 N ATOM 1722 CZ ARG B 45 -9.043 -8.385 18.278 1.00 21.51 C ATOM 1723 NH1 ARG B 45 -8.513 -8.453 19.459 1.00 62.42 N ATOM 1724 NH2 ARG B 45 -10.317 -8.217 18.178 1.00 1.11 N ATOM 0 H ARG B 45 -3.738 -6.092 16.729 1.00 10.15 H new ATOM 0 HA ARG B 45 -6.110 -4.693 15.970 1.00 65.40 H new ATOM 0 HB2 ARG B 45 -5.569 -6.490 18.376 1.00 3.03 H new ATOM 0 HB3 ARG B 45 -7.150 -6.052 17.760 1.00 3.03 H new ATOM 0 HG2 ARG B 45 -6.542 -7.215 15.574 1.00 33.15 H new ATOM 0 HG3 ARG B 45 -5.062 -7.766 16.336 1.00 33.15 H new ATOM 0 HD2 ARG B 45 -6.645 -9.567 16.532 1.00 42.05 H new ATOM 0 HD3 ARG B 45 -6.474 -8.877 18.133 1.00 42.05 H new ATOM 0 HE ARG B 45 -8.790 -8.324 16.295 1.00 10.34 H new ATOM 0 HH11 ARG B 45 -7.503 -8.557 19.560 1.00 62.42 H new ATOM 0 HH12 ARG B 45 -9.106 -8.402 20.288 1.00 62.42 H new ATOM 0 HH21 ARG B 45 -10.750 -8.133 17.258 1.00 1.11 H new ATOM 0 HH22 ARG B 45 -10.893 -8.168 19.019 1.00 1.11 H new ATOM 1738 N GLY B 46 -6.716 -3.046 17.819 1.00 51.44 N ATOM 1739 CA GLY B 46 -6.908 -1.862 18.676 1.00 23.02 C ATOM 1740 C GLY B 46 -5.911 -0.732 18.384 1.00 71.04 C ATOM 1741 O GLY B 46 -5.377 -0.109 19.309 1.00 54.22 O ATOM 0 H GLY B 46 -7.503 -3.241 17.201 1.00 51.44 H new ATOM 0 HA2 GLY B 46 -7.922 -1.486 18.542 1.00 23.02 H new ATOM 0 HA3 GLY B 46 -6.814 -2.159 19.720 1.00 23.02 H new ATOM 1745 N THR B 47 -5.655 -0.476 17.084 1.00 24.31 N ATOM 1746 CA THR B 47 -4.641 0.510 16.631 1.00 33.33 C ATOM 1747 C THR B 47 -5.196 1.397 15.489 1.00 43.34 C ATOM 1748 O THR B 47 -5.519 0.898 14.404 1.00 34.13 O ATOM 1749 CB THR B 47 -3.331 -0.210 16.144 1.00 11.31 C ATOM 1750 OG1 THR B 47 -2.839 -1.085 17.174 1.00 72.45 O ATOM 1751 CG2 THR B 47 -2.220 0.784 15.754 1.00 31.45 C ATOM 0 H THR B 47 -6.141 -0.943 16.318 1.00 24.31 H new ATOM 0 HA THR B 47 -4.402 1.143 17.486 1.00 33.33 H new ATOM 0 HB THR B 47 -3.596 -0.780 15.253 1.00 11.31 H new ATOM 0 HG1 THR B 47 -1.861 -1.030 17.211 1.00 72.45 H new ATOM 0 HG21 THR B 47 -1.338 0.234 15.425 1.00 31.45 H new ATOM 0 HG22 THR B 47 -2.572 1.423 14.944 1.00 31.45 H new ATOM 0 HG23 THR B 47 -1.963 1.399 16.616 1.00 31.45 H new ATOM 1759 N GLN B 48 -5.307 2.712 15.753 1.00 0.23 N ATOM 1760 CA GLN B 48 -5.712 3.718 14.746 1.00 53.25 C ATOM 1761 C GLN B 48 -4.481 4.181 13.930 1.00 41.31 C ATOM 1762 O GLN B 48 -3.561 4.795 14.475 1.00 31.24 O ATOM 1763 CB GLN B 48 -6.384 4.924 15.457 1.00 31.42 C ATOM 1764 CG GLN B 48 -6.867 6.057 14.523 1.00 13.13 C ATOM 1765 CD GLN B 48 -7.524 7.229 15.266 1.00 0.52 C ATOM 1766 OE1 GLN B 48 -7.198 7.529 16.412 1.00 31.02 O ATOM 1767 NE2 GLN B 48 -8.452 7.906 14.621 1.00 52.22 N ATOM 0 H GLN B 48 -5.118 3.111 16.673 1.00 0.23 H new ATOM 0 HA GLN B 48 -6.429 3.272 14.057 1.00 53.25 H new ATOM 0 HB2 GLN B 48 -7.237 4.558 16.028 1.00 31.42 H new ATOM 0 HB3 GLN B 48 -5.677 5.343 16.173 1.00 31.42 H new ATOM 0 HG2 GLN B 48 -6.018 6.431 13.950 1.00 13.13 H new ATOM 0 HG3 GLN B 48 -7.579 5.647 13.807 1.00 13.13 H new ATOM 0 HE21 GLN B 48 -8.708 7.641 13.670 1.00 52.22 H new ATOM 0 HE22 GLN B 48 -8.914 8.695 15.073 1.00 52.22 H new ATOM 1776 N LEU B 49 -4.466 3.871 12.628 1.00 22.25 N ATOM 1777 CA LEU B 49 -3.322 4.176 11.741 1.00 75.43 C ATOM 1778 C LEU B 49 -3.531 5.498 10.970 1.00 2.54 C ATOM 1779 O LEU B 49 -4.523 5.654 10.243 1.00 21.30 O ATOM 1780 CB LEU B 49 -3.110 3.002 10.756 1.00 64.13 C ATOM 1781 CG LEU B 49 -2.782 1.627 11.413 1.00 50.43 C ATOM 1782 CD1 LEU B 49 -2.782 0.502 10.363 1.00 45.14 C ATOM 1783 CD2 LEU B 49 -1.439 1.681 12.188 1.00 1.54 C ATOM 0 H LEU B 49 -5.240 3.404 12.155 1.00 22.25 H new ATOM 0 HA LEU B 49 -2.433 4.302 12.359 1.00 75.43 H new ATOM 0 HB2 LEU B 49 -4.010 2.891 10.151 1.00 64.13 H new ATOM 0 HB3 LEU B 49 -2.299 3.263 10.076 1.00 64.13 H new ATOM 0 HG LEU B 49 -3.566 1.405 12.136 1.00 50.43 H new ATOM 0 HD11 LEU B 49 -2.550 -0.447 10.847 1.00 45.14 H new ATOM 0 HD12 LEU B 49 -3.765 0.441 9.895 1.00 45.14 H new ATOM 0 HD13 LEU B 49 -2.031 0.714 9.602 1.00 45.14 H new ATOM 0 HD21 LEU B 49 -1.237 0.708 12.635 1.00 1.54 H new ATOM 0 HD22 LEU B 49 -0.633 1.939 11.501 1.00 1.54 H new ATOM 0 HD23 LEU B 49 -1.502 2.435 12.973 1.00 1.54 H new ATOM 1795 N SER B 50 -2.582 6.437 11.145 1.00 21.24 N ATOM 1796 CA SER B 50 -2.529 7.707 10.379 1.00 10.35 C ATOM 1797 C SER B 50 -1.938 7.467 8.962 1.00 53.54 C ATOM 1798 O SER B 50 -1.491 6.366 8.664 1.00 43.41 O ATOM 1799 CB SER B 50 -1.690 8.753 11.159 1.00 70.03 C ATOM 1800 OG SER B 50 -2.210 8.984 12.465 1.00 11.40 O ATOM 0 H SER B 50 -1.826 6.340 11.823 1.00 21.24 H new ATOM 0 HA SER B 50 -3.542 8.091 10.257 1.00 10.35 H new ATOM 0 HB2 SER B 50 -0.659 8.408 11.235 1.00 70.03 H new ATOM 0 HB3 SER B 50 -1.672 9.691 10.604 1.00 70.03 H new ATOM 0 HG SER B 50 -1.654 9.647 12.926 1.00 11.40 H new ATOM 1806 N GLN B 51 -1.928 8.517 8.115 1.00 0.41 N ATOM 1807 CA GLN B 51 -1.542 8.435 6.670 1.00 14.12 C ATOM 1808 C GLN B 51 -0.189 7.695 6.389 1.00 63.33 C ATOM 1809 O GLN B 51 -0.146 6.783 5.553 1.00 71.42 O ATOM 1810 CB GLN B 51 -1.515 9.864 6.052 1.00 33.12 C ATOM 1811 CG GLN B 51 -0.617 10.878 6.798 1.00 71.01 C ATOM 1812 CD GLN B 51 -0.487 12.238 6.112 1.00 1.42 C ATOM 1813 OE1 GLN B 51 -1.380 12.692 5.402 1.00 21.45 O ATOM 1814 NE2 GLN B 51 0.629 12.910 6.332 1.00 5.04 N ATOM 0 H GLN B 51 -2.188 9.459 8.407 1.00 0.41 H new ATOM 0 HA GLN B 51 -2.306 7.821 6.193 1.00 14.12 H new ATOM 0 HB2 GLN B 51 -1.175 9.791 5.019 1.00 33.12 H new ATOM 0 HB3 GLN B 51 -2.533 10.252 6.026 1.00 33.12 H new ATOM 0 HG2 GLN B 51 -1.017 11.028 7.801 1.00 71.01 H new ATOM 0 HG3 GLN B 51 0.378 10.447 6.913 1.00 71.01 H new ATOM 0 HE21 GLN B 51 1.356 12.511 6.926 1.00 5.04 H new ATOM 0 HE22 GLN B 51 0.764 13.828 5.908 1.00 5.04 H new ATOM 1823 N VAL B 52 0.900 8.094 7.088 1.00 72.03 N ATOM 1824 CA VAL B 52 2.233 7.450 6.932 1.00 44.42 C ATOM 1825 C VAL B 52 2.231 6.037 7.566 1.00 60.30 C ATOM 1826 O VAL B 52 2.773 5.093 6.989 1.00 60.55 O ATOM 1827 CB VAL B 52 3.404 8.317 7.555 1.00 45.42 C ATOM 1828 CG1 VAL B 52 4.789 7.694 7.247 1.00 42.13 C ATOM 1829 CG2 VAL B 52 3.346 9.784 7.059 1.00 42.42 C ATOM 0 H VAL B 52 0.885 8.857 7.765 1.00 72.03 H new ATOM 0 HA VAL B 52 2.419 7.370 5.861 1.00 44.42 H new ATOM 0 HB VAL B 52 3.265 8.320 8.636 1.00 45.42 H new ATOM 0 HG11 VAL B 52 5.572 8.312 7.687 1.00 42.13 H new ATOM 0 HG12 VAL B 52 4.838 6.690 7.669 1.00 42.13 H new ATOM 0 HG13 VAL B 52 4.932 7.642 6.168 1.00 42.13 H new ATOM 0 HG21 VAL B 52 4.163 10.351 7.505 1.00 42.42 H new ATOM 0 HG22 VAL B 52 3.440 9.805 5.973 1.00 42.42 H new ATOM 0 HG23 VAL B 52 2.394 10.229 7.349 1.00 42.42 H new ATOM 1839 N GLU B 53 1.578 5.918 8.745 1.00 35.33 N ATOM 1840 CA GLU B 53 1.443 4.639 9.495 1.00 23.22 C ATOM 1841 C GLU B 53 0.811 3.525 8.624 1.00 13.41 C ATOM 1842 O GLU B 53 1.198 2.360 8.708 1.00 71.21 O ATOM 1843 CB GLU B 53 0.586 4.850 10.779 1.00 2.44 C ATOM 1844 CG GLU B 53 1.095 5.949 11.734 1.00 44.31 C ATOM 1845 CD GLU B 53 2.528 5.705 12.230 1.00 62.33 C ATOM 1846 OE1 GLU B 53 2.730 4.792 13.062 1.00 23.32 O ATOM 1847 OE2 GLU B 53 3.457 6.422 11.798 1.00 0.32 O ATOM 0 H GLU B 53 1.127 6.707 9.208 1.00 35.33 H new ATOM 0 HA GLU B 53 2.447 4.320 9.775 1.00 23.22 H new ATOM 0 HB2 GLU B 53 -0.433 5.094 10.480 1.00 2.44 H new ATOM 0 HB3 GLU B 53 0.541 3.908 11.326 1.00 2.44 H new ATOM 0 HG2 GLU B 53 1.053 6.912 11.225 1.00 44.31 H new ATOM 0 HG3 GLU B 53 0.426 6.013 12.593 1.00 44.31 H new ATOM 1854 N ILE B 54 -0.162 3.920 7.786 1.00 54.35 N ATOM 1855 CA ILE B 54 -0.804 3.027 6.810 1.00 63.51 C ATOM 1856 C ILE B 54 0.230 2.461 5.811 1.00 32.44 C ATOM 1857 O ILE B 54 0.314 1.246 5.637 1.00 23.22 O ATOM 1858 CB ILE B 54 -1.972 3.775 6.054 1.00 51.33 C ATOM 1859 CG1 ILE B 54 -3.138 4.089 7.053 1.00 22.12 C ATOM 1860 CG2 ILE B 54 -2.471 2.984 4.812 1.00 34.41 C ATOM 1861 CD1 ILE B 54 -4.359 4.754 6.444 1.00 60.14 C ATOM 0 H ILE B 54 -0.526 4.873 7.767 1.00 54.35 H new ATOM 0 HA ILE B 54 -1.235 2.186 7.353 1.00 63.51 H new ATOM 0 HB ILE B 54 -1.580 4.717 5.672 1.00 51.33 H new ATOM 0 HG12 ILE B 54 -3.450 3.157 7.524 1.00 22.12 H new ATOM 0 HG13 ILE B 54 -2.752 4.732 7.844 1.00 22.12 H new ATOM 0 HG21 ILE B 54 -3.274 3.538 4.326 1.00 34.41 H new ATOM 0 HG22 ILE B 54 -1.647 2.849 4.111 1.00 34.41 H new ATOM 0 HG23 ILE B 54 -2.843 2.009 5.127 1.00 34.41 H new ATOM 0 HD11 ILE B 54 -5.104 4.927 7.220 1.00 60.14 H new ATOM 0 HD12 ILE B 54 -4.071 5.706 5.999 1.00 60.14 H new ATOM 0 HD13 ILE B 54 -4.780 4.107 5.674 1.00 60.14 H new ATOM 1873 N LEU B 55 1.026 3.361 5.202 1.00 21.31 N ATOM 1874 CA LEU B 55 2.091 3.005 4.228 1.00 54.25 C ATOM 1875 C LEU B 55 3.106 1.996 4.822 1.00 64.14 C ATOM 1876 O LEU B 55 3.476 1.020 4.171 1.00 63.40 O ATOM 1877 CB LEU B 55 2.838 4.288 3.787 1.00 22.21 C ATOM 1878 CG LEU B 55 1.959 5.410 3.162 1.00 14.41 C ATOM 1879 CD1 LEU B 55 2.792 6.685 2.909 1.00 32.25 C ATOM 1880 CD2 LEU B 55 1.256 4.917 1.874 1.00 61.30 C ATOM 0 H LEU B 55 0.952 4.364 5.369 1.00 21.31 H new ATOM 0 HA LEU B 55 1.612 2.531 3.371 1.00 54.25 H new ATOM 0 HB2 LEU B 55 3.355 4.700 4.654 1.00 22.21 H new ATOM 0 HB3 LEU B 55 3.603 4.008 3.063 1.00 22.21 H new ATOM 0 HG LEU B 55 1.177 5.667 3.877 1.00 14.41 H new ATOM 0 HD11 LEU B 55 2.156 7.455 2.472 1.00 32.25 H new ATOM 0 HD12 LEU B 55 3.201 7.045 3.853 1.00 32.25 H new ATOM 0 HD13 LEU B 55 3.608 6.456 2.223 1.00 32.25 H new ATOM 0 HD21 LEU B 55 0.649 5.722 1.460 1.00 61.30 H new ATOM 0 HD22 LEU B 55 2.006 4.615 1.143 1.00 61.30 H new ATOM 0 HD23 LEU B 55 0.617 4.066 2.111 1.00 61.30 H new ATOM 1892 N GLN B 56 3.517 2.254 6.076 1.00 35.02 N ATOM 1893 CA GLN B 56 4.470 1.400 6.828 1.00 3.41 C ATOM 1894 C GLN B 56 3.898 -0.026 7.065 1.00 62.13 C ATOM 1895 O GLN B 56 4.608 -1.024 6.924 1.00 64.14 O ATOM 1896 CB GLN B 56 4.799 2.076 8.182 1.00 33.03 C ATOM 1897 CG GLN B 56 5.390 3.498 8.052 1.00 2.02 C ATOM 1898 CD GLN B 56 5.639 4.198 9.391 1.00 11.11 C ATOM 1899 OE1 GLN B 56 4.956 3.954 10.380 1.00 72.55 O ATOM 1900 NE2 GLN B 56 6.611 5.083 9.437 1.00 10.41 N ATOM 0 H GLN B 56 3.198 3.066 6.605 1.00 35.02 H new ATOM 0 HA GLN B 56 5.379 1.292 6.236 1.00 3.41 H new ATOM 0 HB2 GLN B 56 3.890 2.126 8.781 1.00 33.03 H new ATOM 0 HB3 GLN B 56 5.505 1.449 8.726 1.00 33.03 H new ATOM 0 HG2 GLN B 56 6.331 3.440 7.504 1.00 2.02 H new ATOM 0 HG3 GLN B 56 4.712 4.108 7.456 1.00 2.02 H new ATOM 0 HE21 GLN B 56 7.168 5.272 8.604 1.00 10.41 H new ATOM 0 HE22 GLN B 56 6.808 5.580 10.306 1.00 10.41 H new ATOM 1909 N ARG B 57 2.595 -0.089 7.417 1.00 72.12 N ATOM 1910 CA ARG B 57 1.860 -1.363 7.645 1.00 61.34 C ATOM 1911 C ARG B 57 1.587 -2.124 6.326 1.00 43.43 C ATOM 1912 O ARG B 57 1.483 -3.351 6.331 1.00 50.41 O ATOM 1913 CB ARG B 57 0.524 -1.077 8.384 1.00 0.54 C ATOM 1914 CG ARG B 57 0.682 -0.551 9.836 1.00 12.11 C ATOM 1915 CD ARG B 57 0.869 -1.659 10.893 1.00 71.50 C ATOM 1916 NE ARG B 57 2.089 -2.463 10.698 1.00 64.30 N ATOM 1917 CZ ARG B 57 3.077 -2.590 11.563 1.00 25.23 C ATOM 1918 NH1 ARG B 57 3.091 -1.925 12.678 1.00 53.14 N ATOM 1919 NH2 ARG B 57 4.058 -3.376 11.289 1.00 3.41 N ATOM 0 H ARG B 57 2.018 0.741 7.552 1.00 72.12 H new ATOM 0 HA ARG B 57 2.492 -2.001 8.262 1.00 61.34 H new ATOM 0 HB2 ARG B 57 -0.044 -0.347 7.808 1.00 0.54 H new ATOM 0 HB3 ARG B 57 -0.066 -1.994 8.407 1.00 0.54 H new ATOM 0 HG2 ARG B 57 1.539 0.122 9.876 1.00 12.11 H new ATOM 0 HG3 ARG B 57 -0.198 0.038 10.095 1.00 12.11 H new ATOM 0 HD2 ARG B 57 0.899 -1.204 11.883 1.00 71.50 H new ATOM 0 HD3 ARG B 57 0.002 -2.319 10.872 1.00 71.50 H new ATOM 0 HE ARG B 57 2.177 -2.966 9.815 1.00 64.30 H new ATOM 0 HH11 ARG B 57 2.327 -1.287 12.901 1.00 53.14 H new ATOM 0 HH12 ARG B 57 3.866 -2.040 13.331 1.00 53.14 H new ATOM 0 HH21 ARG B 57 4.067 -3.894 10.410 1.00 3.41 H new ATOM 0 HH22 ARG B 57 4.827 -3.482 11.951 1.00 3.41 H new ATOM 1933 N VAL B 58 1.442 -1.378 5.211 1.00 51.53 N ATOM 1934 CA VAL B 58 1.291 -1.973 3.865 1.00 51.30 C ATOM 1935 C VAL B 58 2.610 -2.659 3.432 1.00 21.00 C ATOM 1936 O VAL B 58 2.603 -3.829 3.069 1.00 51.44 O ATOM 1937 CB VAL B 58 0.845 -0.902 2.786 1.00 52.42 C ATOM 1938 CG1 VAL B 58 0.938 -1.467 1.352 1.00 52.31 C ATOM 1939 CG2 VAL B 58 -0.589 -0.382 3.063 1.00 35.42 C ATOM 0 H VAL B 58 1.426 -0.358 5.216 1.00 51.53 H new ATOM 0 HA VAL B 58 0.500 -2.720 3.925 1.00 51.30 H new ATOM 0 HB VAL B 58 1.537 -0.064 2.868 1.00 52.42 H new ATOM 0 HG11 VAL B 58 0.624 -0.704 0.639 1.00 52.31 H new ATOM 0 HG12 VAL B 58 1.967 -1.759 1.142 1.00 52.31 H new ATOM 0 HG13 VAL B 58 0.288 -2.338 1.261 1.00 52.31 H new ATOM 0 HG21 VAL B 58 -0.863 0.351 2.304 1.00 35.42 H new ATOM 0 HG22 VAL B 58 -1.291 -1.216 3.033 1.00 35.42 H new ATOM 0 HG23 VAL B 58 -0.623 0.085 4.047 1.00 35.42 H new ATOM 1949 N ILE B 59 3.734 -1.912 3.494 1.00 62.03 N ATOM 1950 CA ILE B 59 5.085 -2.431 3.163 1.00 64.43 C ATOM 1951 C ILE B 59 5.443 -3.659 4.041 1.00 40.43 C ATOM 1952 O ILE B 59 5.873 -4.685 3.522 1.00 24.24 O ATOM 1953 CB ILE B 59 6.184 -1.306 3.332 1.00 30.22 C ATOM 1954 CG1 ILE B 59 5.925 -0.131 2.337 1.00 25.35 C ATOM 1955 CG2 ILE B 59 7.620 -1.866 3.154 1.00 45.15 C ATOM 1956 CD1 ILE B 59 6.888 1.041 2.460 1.00 42.40 C ATOM 0 H ILE B 59 3.733 -0.931 3.775 1.00 62.03 H new ATOM 0 HA ILE B 59 5.067 -2.745 2.119 1.00 64.43 H new ATOM 0 HB ILE B 59 6.107 -0.927 4.351 1.00 30.22 H new ATOM 0 HG12 ILE B 59 5.976 -0.519 1.320 1.00 25.35 H new ATOM 0 HG13 ILE B 59 4.910 0.235 2.488 1.00 25.35 H new ATOM 0 HG21 ILE B 59 8.343 -1.060 3.278 1.00 45.15 H new ATOM 0 HG22 ILE B 59 7.805 -2.637 3.901 1.00 45.15 H new ATOM 0 HG23 ILE B 59 7.722 -2.295 2.157 1.00 45.15 H new ATOM 0 HD11 ILE B 59 6.627 1.805 1.728 1.00 42.40 H new ATOM 0 HD12 ILE B 59 6.822 1.462 3.463 1.00 42.40 H new ATOM 0 HD13 ILE B 59 7.906 0.696 2.277 1.00 42.40 H new ATOM 1968 N ASP B 60 5.224 -3.533 5.363 1.00 53.03 N ATOM 1969 CA ASP B 60 5.468 -4.621 6.344 1.00 32.14 C ATOM 1970 C ASP B 60 4.659 -5.904 6.001 1.00 10.41 C ATOM 1971 O ASP B 60 5.182 -7.022 6.085 1.00 72.05 O ATOM 1972 CB ASP B 60 5.106 -4.119 7.763 1.00 15.31 C ATOM 1973 CG ASP B 60 5.326 -5.171 8.862 1.00 14.22 C ATOM 1974 OD1 ASP B 60 6.493 -5.529 9.132 1.00 13.45 O ATOM 1975 OD2 ASP B 60 4.336 -5.651 9.459 1.00 14.43 O ATOM 0 H ASP B 60 4.872 -2.675 5.787 1.00 53.03 H new ATOM 0 HA ASP B 60 6.524 -4.888 6.303 1.00 32.14 H new ATOM 0 HB2 ASP B 60 5.704 -3.237 7.991 1.00 15.31 H new ATOM 0 HB3 ASP B 60 4.062 -3.807 7.774 1.00 15.31 H new ATOM 1980 N TYR B 61 3.385 -5.707 5.623 1.00 42.15 N ATOM 1981 CA TYR B 61 2.474 -6.791 5.182 1.00 74.22 C ATOM 1982 C TYR B 61 2.982 -7.493 3.901 1.00 53.04 C ATOM 1983 O TYR B 61 2.971 -8.723 3.807 1.00 44.41 O ATOM 1984 CB TYR B 61 1.066 -6.201 4.927 1.00 4.10 C ATOM 1985 CG TYR B 61 0.051 -7.177 4.310 1.00 54.12 C ATOM 1986 CD1 TYR B 61 -0.508 -8.199 5.075 1.00 14.12 C ATOM 1987 CD2 TYR B 61 -0.344 -7.068 2.970 1.00 31.11 C ATOM 1988 CE1 TYR B 61 -1.423 -9.074 4.536 1.00 43.33 C ATOM 1989 CE2 TYR B 61 -1.262 -7.946 2.431 1.00 55.01 C ATOM 1990 CZ TYR B 61 -1.802 -8.945 3.219 1.00 50.24 C ATOM 1991 OH TYR B 61 -2.722 -9.825 2.684 1.00 10.51 O ATOM 0 H TYR B 61 2.949 -4.785 5.613 1.00 42.15 H new ATOM 0 HA TYR B 61 2.436 -7.540 5.973 1.00 74.22 H new ATOM 0 HB2 TYR B 61 0.666 -5.835 5.873 1.00 4.10 H new ATOM 0 HB3 TYR B 61 1.165 -5.339 4.267 1.00 4.10 H new ATOM 0 HD1 TYR B 61 -0.218 -8.306 6.110 1.00 14.12 H new ATOM 0 HD2 TYR B 61 0.075 -6.288 2.352 1.00 31.11 H new ATOM 0 HE1 TYR B 61 -1.843 -9.861 5.145 1.00 43.33 H new ATOM 0 HE2 TYR B 61 -1.558 -7.853 1.396 1.00 55.01 H new ATOM 0 HH TYR B 61 -2.883 -9.598 1.744 1.00 10.51 H new ATOM 2001 N ILE B 62 3.396 -6.691 2.912 1.00 63.11 N ATOM 2002 CA ILE B 62 3.894 -7.201 1.623 1.00 23.42 C ATOM 2003 C ILE B 62 5.210 -8.008 1.816 1.00 53.44 C ATOM 2004 O ILE B 62 5.390 -9.055 1.206 1.00 32.21 O ATOM 2005 CB ILE B 62 4.097 -6.022 0.595 1.00 73.42 C ATOM 2006 CG1 ILE B 62 2.730 -5.317 0.274 1.00 14.51 C ATOM 2007 CG2 ILE B 62 4.767 -6.515 -0.703 1.00 72.14 C ATOM 2008 CD1 ILE B 62 2.832 -4.104 -0.648 1.00 61.20 C ATOM 0 H ILE B 62 3.396 -5.673 2.980 1.00 63.11 H new ATOM 0 HA ILE B 62 3.144 -7.878 1.214 1.00 23.42 H new ATOM 0 HB ILE B 62 4.761 -5.293 1.060 1.00 73.42 H new ATOM 0 HG12 ILE B 62 2.060 -6.046 -0.182 1.00 14.51 H new ATOM 0 HG13 ILE B 62 2.270 -5.005 1.212 1.00 14.51 H new ATOM 0 HG21 ILE B 62 4.892 -5.677 -1.389 1.00 72.14 H new ATOM 0 HG22 ILE B 62 5.743 -6.941 -0.470 1.00 72.14 H new ATOM 0 HG23 ILE B 62 4.141 -7.276 -1.169 1.00 72.14 H new ATOM 0 HD11 ILE B 62 1.839 -3.686 -0.811 1.00 61.20 H new ATOM 0 HD12 ILE B 62 3.472 -3.351 -0.189 1.00 61.20 H new ATOM 0 HD13 ILE B 62 3.259 -4.408 -1.604 1.00 61.20 H new ATOM 2020 N LEU B 63 6.096 -7.515 2.700 1.00 32.20 N ATOM 2021 CA LEU B 63 7.345 -8.220 3.087 1.00 30.32 C ATOM 2022 C LEU B 63 7.041 -9.520 3.874 1.00 35.33 C ATOM 2023 O LEU B 63 7.787 -10.489 3.788 1.00 62.31 O ATOM 2024 CB LEU B 63 8.244 -7.283 3.936 1.00 64.40 C ATOM 2025 CG LEU B 63 8.751 -5.991 3.224 1.00 22.41 C ATOM 2026 CD1 LEU B 63 9.509 -5.079 4.214 1.00 43.23 C ATOM 2027 CD2 LEU B 63 9.613 -6.330 1.985 1.00 15.20 C ATOM 0 H LEU B 63 5.972 -6.618 3.169 1.00 32.20 H new ATOM 0 HA LEU B 63 7.871 -8.496 2.173 1.00 30.32 H new ATOM 0 HB2 LEU B 63 7.689 -6.989 4.827 1.00 64.40 H new ATOM 0 HB3 LEU B 63 9.110 -7.852 4.274 1.00 64.40 H new ATOM 0 HG LEU B 63 7.880 -5.441 2.867 1.00 22.41 H new ATOM 0 HD11 LEU B 63 9.853 -4.185 3.695 1.00 43.23 H new ATOM 0 HD12 LEU B 63 8.843 -4.792 5.028 1.00 43.23 H new ATOM 0 HD13 LEU B 63 10.367 -5.616 4.619 1.00 43.23 H new ATOM 0 HD21 LEU B 63 9.950 -5.407 1.513 1.00 15.20 H new ATOM 0 HD22 LEU B 63 10.478 -6.917 2.293 1.00 15.20 H new ATOM 0 HD23 LEU B 63 9.019 -6.905 1.275 1.00 15.20 H new ATOM 2039 N ASP B 64 5.938 -9.512 4.639 1.00 51.11 N ATOM 2040 CA ASP B 64 5.435 -10.706 5.359 1.00 51.22 C ATOM 2041 C ASP B 64 4.982 -11.812 4.364 1.00 2.13 C ATOM 2042 O ASP B 64 5.113 -13.006 4.648 1.00 54.54 O ATOM 2043 CB ASP B 64 4.268 -10.280 6.296 1.00 42.34 C ATOM 2044 CG ASP B 64 3.653 -11.437 7.105 1.00 74.52 C ATOM 2045 OD1 ASP B 64 4.205 -11.785 8.170 1.00 23.31 O ATOM 2046 OD2 ASP B 64 2.616 -12.000 6.683 1.00 25.20 O ATOM 0 H ASP B 64 5.365 -8.680 4.780 1.00 51.11 H new ATOM 0 HA ASP B 64 6.241 -11.128 5.960 1.00 51.22 H new ATOM 0 HB2 ASP B 64 4.632 -9.521 6.988 1.00 42.34 H new ATOM 0 HB3 ASP B 64 3.486 -9.816 5.695 1.00 42.34 H new ATOM 2051 N LEU B 65 4.459 -11.390 3.199 1.00 30.35 N ATOM 2052 CA LEU B 65 4.003 -12.315 2.136 1.00 52.12 C ATOM 2053 C LEU B 65 5.165 -12.783 1.225 1.00 55.04 C ATOM 2054 O LEU B 65 5.240 -13.952 0.851 1.00 53.13 O ATOM 2055 CB LEU B 65 2.888 -11.647 1.288 1.00 32.44 C ATOM 2056 CG LEU B 65 1.604 -11.200 2.062 1.00 3.02 C ATOM 2057 CD1 LEU B 65 0.505 -10.733 1.088 1.00 24.25 C ATOM 2058 CD2 LEU B 65 1.083 -12.310 3.008 1.00 51.33 C ATOM 0 H LEU B 65 4.339 -10.405 2.965 1.00 30.35 H new ATOM 0 HA LEU B 65 3.603 -13.202 2.627 1.00 52.12 H new ATOM 0 HB2 LEU B 65 3.311 -10.773 0.793 1.00 32.44 H new ATOM 0 HB3 LEU B 65 2.590 -12.344 0.504 1.00 32.44 H new ATOM 0 HG LEU B 65 1.882 -10.352 2.688 1.00 3.02 H new ATOM 0 HD11 LEU B 65 -0.376 -10.428 1.653 1.00 24.25 H new ATOM 0 HD12 LEU B 65 0.871 -9.889 0.504 1.00 24.25 H new ATOM 0 HD13 LEU B 65 0.241 -11.551 0.418 1.00 24.25 H new ATOM 0 HD21 LEU B 65 0.191 -11.958 3.526 1.00 51.33 H new ATOM 0 HD22 LEU B 65 0.838 -13.199 2.426 1.00 51.33 H new ATOM 0 HD23 LEU B 65 1.853 -12.556 3.739 1.00 51.33 H new ATOM 2070 N GLN B 66 6.064 -11.847 0.872 1.00 23.14 N ATOM 2071 CA GLN B 66 7.189 -12.110 -0.057 1.00 11.21 C ATOM 2072 C GLN B 66 8.350 -12.841 0.658 1.00 22.35 C ATOM 2073 O GLN B 66 8.747 -13.943 0.268 1.00 55.23 O ATOM 2074 CB GLN B 66 7.706 -10.781 -0.687 1.00 62.03 C ATOM 2075 CG GLN B 66 6.693 -10.049 -1.601 1.00 21.51 C ATOM 2076 CD GLN B 66 7.238 -8.731 -2.179 1.00 53.24 C ATOM 2077 OE1 GLN B 66 8.062 -8.059 -1.566 1.00 61.12 O ATOM 2078 NE2 GLN B 66 6.763 -8.332 -3.346 1.00 32.32 N ATOM 0 H GLN B 66 6.036 -10.888 1.219 1.00 23.14 H new ATOM 0 HA GLN B 66 6.814 -12.756 -0.851 1.00 11.21 H new ATOM 0 HB2 GLN B 66 8.000 -10.106 0.117 1.00 62.03 H new ATOM 0 HB3 GLN B 66 8.604 -10.997 -1.266 1.00 62.03 H new ATOM 0 HG2 GLN B 66 6.412 -10.709 -2.422 1.00 21.51 H new ATOM 0 HG3 GLN B 66 5.786 -9.841 -1.033 1.00 21.51 H new ATOM 0 HE21 GLN B 66 6.079 -8.904 -3.841 1.00 32.32 H new ATOM 0 HE22 GLN B 66 7.081 -7.452 -3.752 1.00 32.32 H new ATOM 2087 N VAL B 67 8.882 -12.206 1.718 1.00 1.22 N ATOM 2088 CA VAL B 67 10.042 -12.719 2.475 1.00 75.13 C ATOM 2089 C VAL B 67 9.588 -13.795 3.495 1.00 34.54 C ATOM 2090 O VAL B 67 9.266 -13.507 4.659 1.00 24.10 O ATOM 2091 CB VAL B 67 10.828 -11.547 3.185 1.00 12.13 C ATOM 2092 CG1 VAL B 67 12.095 -12.065 3.918 1.00 41.15 C ATOM 2093 CG2 VAL B 67 11.174 -10.427 2.164 1.00 25.14 C ATOM 0 H VAL B 67 8.520 -11.322 2.075 1.00 1.22 H new ATOM 0 HA VAL B 67 10.730 -13.187 1.771 1.00 75.13 H new ATOM 0 HB VAL B 67 10.177 -11.120 3.948 1.00 12.13 H new ATOM 0 HG11 VAL B 67 12.608 -11.229 4.393 1.00 41.15 H new ATOM 0 HG12 VAL B 67 11.805 -12.792 4.677 1.00 41.15 H new ATOM 0 HG13 VAL B 67 12.763 -12.539 3.199 1.00 41.15 H new ATOM 0 HG21 VAL B 67 11.715 -9.628 2.670 1.00 25.14 H new ATOM 0 HG22 VAL B 67 11.795 -10.839 1.369 1.00 25.14 H new ATOM 0 HG23 VAL B 67 10.254 -10.028 1.736 1.00 25.14 H new ATOM 2103 N VAL B 68 9.504 -15.037 2.996 1.00 14.45 N ATOM 2104 CA VAL B 68 9.159 -16.240 3.790 1.00 42.24 C ATOM 2105 C VAL B 68 10.210 -17.374 3.538 1.00 33.40 C ATOM 2106 O VAL B 68 10.166 -18.038 2.477 1.00 37.69 O ATOM 2107 CB VAL B 68 7.669 -16.728 3.501 1.00 55.15 C ATOM 2108 CG1 VAL B 68 6.638 -15.894 4.308 1.00 1.40 C ATOM 2109 CG2 VAL B 68 7.331 -16.685 1.982 1.00 33.12 C ATOM 2110 OXT VAL B 68 11.108 -17.565 4.391 1.00 37.69 O ATOM 0 H VAL B 68 9.676 -15.244 2.012 1.00 14.45 H new ATOM 0 HA VAL B 68 9.196 -15.977 4.847 1.00 42.24 H new ATOM 0 HB VAL B 68 7.605 -17.766 3.828 1.00 55.15 H new ATOM 0 HG11 VAL B 68 5.631 -16.250 4.090 1.00 1.40 H new ATOM 0 HG12 VAL B 68 6.838 -16.001 5.374 1.00 1.40 H new ATOM 0 HG13 VAL B 68 6.720 -14.844 4.027 1.00 1.40 H new ATOM 0 HG21 VAL B 68 6.307 -17.025 1.827 1.00 33.12 H new ATOM 0 HG22 VAL B 68 7.434 -15.664 1.615 1.00 33.12 H new ATOM 0 HG23 VAL B 68 8.016 -17.336 1.438 1.00 33.12 H new