USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=14 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 56 GLN : amide:sc= -1.94! K(o=-1.2!,f=0.26) USER MOD Set 1.2: B 32 CYS SG : rot 69:sc= 0.727 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.166 K(o=-0.32,f=-2.6!) USER MOD Set 2.2: B 61 TYR OH : rot 15:sc= -0.153 USER MOD Set 3.1: A 29 MET CE :methyl -114:sc= -0.116 (180deg=-2.53!) USER MOD Set 3.2: A 33 TYR OH : rot -30:sc= 0.651 USER MOD Set 3.3: B 29 MET CE :methyl 156:sc= -0.223 (180deg=-1.12) USER MOD Set 3.4: B 33 TYR OH : rot 91:sc= 0.733 USER MOD Single : A 30 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.68) USER MOD Single : A 31 HIS : no HD1:sc= -0.704 K(o=-0.7,f=-2.9) USER MOD Single : A 32 CYS SG : rot 86:sc= 1.17 USER MOD Single : A 34 SER OG : rot 77:sc= 0.452 USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.242 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.126 USER MOD Single : A 51 GLN : amide:sc= 0.0263 X(o=0.026,f=0) USER MOD Single : A 61 TYR OH : rot 110:sc= 0 USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= -0.23 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : B 56 GLN : amide:sc= -0.0961 K(o=-0.096,f=-0.81) USER MOD Single : B 66 GLN : amide:sc= -0.0456 K(o=-0.046,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 11.786 12.382 4.614 1.00 65.22 N ATOM 372 CA ASP A 27 10.630 12.180 3.718 1.00 74.13 C ATOM 373 C ASP A 27 10.062 10.742 3.873 1.00 70.24 C ATOM 374 O ASP A 27 10.004 9.996 2.902 1.00 32.52 O ATOM 375 CB ASP A 27 11.058 12.458 2.248 1.00 60.50 C ATOM 376 CG ASP A 27 11.479 13.911 2.011 1.00 2.50 C ATOM 377 OD1 ASP A 27 12.646 14.255 2.296 1.00 0.50 O ATOM 378 OD2 ASP A 27 10.644 14.717 1.537 1.00 34.43 O ATOM 0 HA ASP A 27 9.838 12.878 3.990 1.00 74.13 H new ATOM 0 HB2 ASP A 27 11.885 11.799 1.986 1.00 60.50 H new ATOM 0 HB3 ASP A 27 10.231 12.212 1.582 1.00 60.50 H new ATOM 383 N ASP A 28 9.603 10.394 5.105 1.00 73.13 N ATOM 384 CA ASP A 28 9.125 9.020 5.461 1.00 43.13 C ATOM 385 C ASP A 28 8.079 8.489 4.454 1.00 21.41 C ATOM 386 O ASP A 28 8.138 7.336 4.017 1.00 75.45 O ATOM 387 CB ASP A 28 8.499 9.024 6.879 1.00 21.23 C ATOM 388 CG ASP A 28 9.426 9.625 7.938 1.00 40.22 C ATOM 389 OD1 ASP A 28 10.232 8.880 8.531 1.00 5.54 O ATOM 390 OD2 ASP A 28 9.360 10.851 8.174 1.00 15.20 O ATOM 0 H ASP A 28 9.552 11.053 5.882 1.00 73.13 H new ATOM 0 HA ASP A 28 9.994 8.362 5.432 1.00 43.13 H new ATOM 0 HB2 ASP A 28 7.567 9.588 6.857 1.00 21.23 H new ATOM 0 HB3 ASP A 28 8.247 8.002 7.162 1.00 21.23 H new ATOM 395 N MET A 29 7.154 9.383 4.090 1.00 40.11 N ATOM 396 CA MET A 29 6.068 9.107 3.136 1.00 65.20 C ATOM 397 C MET A 29 6.591 8.826 1.700 1.00 51.23 C ATOM 398 O MET A 29 6.117 7.896 1.052 1.00 12.20 O ATOM 399 CB MET A 29 5.063 10.294 3.156 1.00 0.14 C ATOM 400 CG MET A 29 4.007 10.285 2.036 1.00 2.52 C ATOM 401 SD MET A 29 2.553 11.271 2.427 1.00 52.13 S ATOM 402 CE MET A 29 1.733 10.202 3.606 1.00 31.41 C ATOM 0 H MET A 29 7.136 10.335 4.455 1.00 40.11 H new ATOM 0 HA MET A 29 5.560 8.194 3.448 1.00 65.20 H new ATOM 0 HB2 MET A 29 4.549 10.296 4.117 1.00 0.14 H new ATOM 0 HB3 MET A 29 5.626 11.225 3.094 1.00 0.14 H new ATOM 0 HG2 MET A 29 4.457 10.661 1.117 1.00 2.52 H new ATOM 0 HG3 MET A 29 3.700 9.257 1.843 1.00 2.52 H new ATOM 0 HE1 MET A 29 0.790 9.852 3.185 1.00 31.41 H new ATOM 0 HE2 MET A 29 2.372 9.347 3.827 1.00 31.41 H new ATOM 0 HE3 MET A 29 1.537 10.756 4.524 1.00 31.41 H new ATOM 412 N ASN A 30 7.574 9.622 1.231 1.00 64.51 N ATOM 413 CA ASN A 30 8.173 9.454 -0.122 1.00 51.03 C ATOM 414 C ASN A 30 9.023 8.164 -0.212 1.00 44.21 C ATOM 415 O ASN A 30 9.008 7.483 -1.236 1.00 74.23 O ATOM 416 CB ASN A 30 9.019 10.693 -0.505 1.00 63.50 C ATOM 417 CG ASN A 30 8.186 11.977 -0.611 1.00 31.23 C ATOM 418 OD1 ASN A 30 6.997 11.941 -0.918 1.00 23.33 O ATOM 419 ND2 ASN A 30 8.801 13.121 -0.379 1.00 74.41 N ATOM 0 H ASN A 30 7.975 10.392 1.767 1.00 64.51 H new ATOM 0 HA ASN A 30 7.354 9.360 -0.835 1.00 51.03 H new ATOM 0 HB2 ASN A 30 9.803 10.835 0.239 1.00 63.50 H new ATOM 0 HB3 ASN A 30 9.514 10.508 -1.458 1.00 63.50 H new ATOM 0 HD21 ASN A 30 8.288 14.000 -0.453 1.00 74.41 H new ATOM 0 HD22 ASN A 30 9.789 13.127 -0.125 1.00 74.41 H new ATOM 426 N HIS A 31 9.763 7.855 0.871 1.00 60.45 N ATOM 427 CA HIS A 31 10.497 6.574 1.022 1.00 23.25 C ATOM 428 C HIS A 31 9.531 5.373 0.920 1.00 63.30 C ATOM 429 O HIS A 31 9.818 4.387 0.239 1.00 44.11 O ATOM 430 CB HIS A 31 11.236 6.533 2.386 1.00 54.41 C ATOM 431 CG HIS A 31 12.366 7.527 2.523 1.00 13.04 C ATOM 432 ND1 HIS A 31 12.290 8.786 1.991 1.00 41.10 N ATOM 433 CD2 HIS A 31 13.568 7.396 3.142 1.00 42.24 C ATOM 434 CE1 HIS A 31 13.421 9.388 2.294 1.00 22.45 C ATOM 435 NE2 HIS A 31 14.229 8.588 2.989 1.00 63.22 N ATOM 0 H HIS A 31 9.871 8.483 1.667 1.00 60.45 H new ATOM 0 HA HIS A 31 11.227 6.507 0.215 1.00 23.25 H new ATOM 0 HB2 HIS A 31 10.513 6.714 3.181 1.00 54.41 H new ATOM 0 HB3 HIS A 31 11.633 5.529 2.539 1.00 54.41 H new ATOM 0 HD2 HIS A 31 13.934 6.520 3.657 1.00 42.24 H new ATOM 0 HE1 HIS A 31 13.663 10.403 2.014 1.00 22.45 H new ATOM 0 HE2 HIS A 31 15.159 8.818 3.339 1.00 63.22 H new ATOM 443 N CYS A 32 8.378 5.499 1.609 1.00 15.15 N ATOM 444 CA CYS A 32 7.311 4.482 1.598 1.00 4.05 C ATOM 445 C CYS A 32 6.696 4.301 0.191 1.00 2.40 C ATOM 446 O CYS A 32 6.536 3.176 -0.262 1.00 71.21 O ATOM 447 CB CYS A 32 6.214 4.828 2.631 1.00 40.13 C ATOM 448 SG CYS A 32 6.768 4.775 4.357 1.00 72.43 S ATOM 0 H CYS A 32 8.162 6.310 2.189 1.00 15.15 H new ATOM 0 HA CYS A 32 7.768 3.533 1.877 1.00 4.05 H new ATOM 0 HB2 CYS A 32 5.831 5.825 2.416 1.00 40.13 H new ATOM 0 HB3 CYS A 32 5.383 4.133 2.507 1.00 40.13 H new ATOM 0 HG CYS A 32 7.289 5.921 4.681 1.00 72.43 H new ATOM 454 N TYR A 33 6.386 5.422 -0.496 1.00 2.14 N ATOM 455 CA TYR A 33 5.777 5.415 -1.858 1.00 32.52 C ATOM 456 C TYR A 33 6.729 4.832 -2.930 1.00 33.22 C ATOM 457 O TYR A 33 6.279 4.158 -3.869 1.00 30.24 O ATOM 458 CB TYR A 33 5.301 6.845 -2.262 1.00 51.44 C ATOM 459 CG TYR A 33 3.881 7.197 -1.778 1.00 14.13 C ATOM 460 CD1 TYR A 33 2.795 6.430 -2.195 1.00 31.53 C ATOM 461 CD2 TYR A 33 3.617 8.278 -0.939 1.00 51.41 C ATOM 462 CE1 TYR A 33 1.511 6.725 -1.802 1.00 43.25 C ATOM 463 CE2 TYR A 33 2.328 8.572 -0.543 1.00 54.34 C ATOM 464 CZ TYR A 33 1.281 7.794 -0.973 1.00 2.40 C ATOM 465 OH TYR A 33 0.006 8.092 -0.564 1.00 3.54 O ATOM 0 H TYR A 33 6.548 6.360 -0.129 1.00 2.14 H new ATOM 0 HA TYR A 33 4.909 4.757 -1.811 1.00 32.52 H new ATOM 0 HB2 TYR A 33 6.002 7.576 -1.860 1.00 51.44 H new ATOM 0 HB3 TYR A 33 5.335 6.934 -3.348 1.00 51.44 H new ATOM 0 HD1 TYR A 33 2.966 5.583 -2.843 1.00 31.53 H new ATOM 0 HD2 TYR A 33 4.433 8.895 -0.594 1.00 51.41 H new ATOM 0 HE1 TYR A 33 0.686 6.118 -2.145 1.00 43.25 H new ATOM 0 HE2 TYR A 33 2.142 9.415 0.106 1.00 54.34 H new ATOM 0 HH TYR A 33 -0.632 7.817 -1.255 1.00 3.54 H new ATOM 475 N SER A 34 8.040 5.107 -2.787 1.00 52.55 N ATOM 476 CA SER A 34 9.082 4.520 -3.664 1.00 2.22 C ATOM 477 C SER A 34 9.163 2.996 -3.452 1.00 15.11 C ATOM 478 O SER A 34 9.215 2.226 -4.415 1.00 62.12 O ATOM 479 CB SER A 34 10.466 5.167 -3.394 1.00 60.45 C ATOM 480 OG SER A 34 10.453 6.561 -3.677 1.00 13.23 O ATOM 0 H SER A 34 8.407 5.734 -2.071 1.00 52.55 H new ATOM 0 HA SER A 34 8.805 4.722 -4.699 1.00 2.22 H new ATOM 0 HB2 SER A 34 10.746 5.009 -2.353 1.00 60.45 H new ATOM 0 HB3 SER A 34 11.224 4.677 -4.006 1.00 60.45 H new ATOM 0 HG SER A 34 9.997 7.038 -2.952 1.00 13.23 H new ATOM 486 N ARG A 35 9.127 2.580 -2.168 1.00 54.01 N ATOM 487 CA ARG A 35 9.214 1.158 -1.773 1.00 42.54 C ATOM 488 C ARG A 35 7.933 0.380 -2.179 1.00 43.03 C ATOM 489 O ARG A 35 8.005 -0.812 -2.485 1.00 33.22 O ATOM 490 CB ARG A 35 9.508 1.040 -0.234 1.00 30.22 C ATOM 491 CG ARG A 35 10.527 -0.056 0.152 1.00 61.21 C ATOM 492 CD ARG A 35 10.044 -1.484 -0.148 1.00 34.33 C ATOM 493 NE ARG A 35 11.018 -2.508 0.263 1.00 1.13 N ATOM 494 CZ ARG A 35 11.976 -3.007 -0.487 1.00 73.43 C ATOM 495 NH1 ARG A 35 12.229 -2.535 -1.671 1.00 44.35 N ATOM 496 NH2 ARG A 35 12.717 -3.960 -0.018 1.00 32.22 N ATOM 0 H ARG A 35 9.037 3.219 -1.378 1.00 54.01 H new ATOM 0 HA ARG A 35 10.044 0.699 -2.310 1.00 42.54 H new ATOM 0 HB2 ARG A 35 9.876 2.001 0.125 1.00 30.22 H new ATOM 0 HB3 ARG A 35 8.570 0.843 0.286 1.00 30.22 H new ATOM 0 HG2 ARG A 35 11.459 0.123 -0.384 1.00 61.21 H new ATOM 0 HG3 ARG A 35 10.750 0.026 1.216 1.00 61.21 H new ATOM 0 HD2 ARG A 35 9.099 -1.660 0.366 1.00 34.33 H new ATOM 0 HD3 ARG A 35 9.849 -1.581 -1.216 1.00 34.33 H new ATOM 0 HE ARG A 35 10.943 -2.863 1.216 1.00 1.13 H new ATOM 0 HH11 ARG A 35 11.679 -1.759 -2.039 1.00 44.35 H new ATOM 0 HH12 ARG A 35 12.978 -2.940 -2.232 1.00 44.35 H new ATOM 0 HH21 ARG A 35 12.555 -4.316 0.924 1.00 32.22 H new ATOM 0 HH22 ARG A 35 13.463 -4.355 -0.591 1.00 32.22 H new ATOM 510 N LEU A 36 6.773 1.068 -2.184 1.00 43.41 N ATOM 511 CA LEU A 36 5.515 0.509 -2.719 1.00 52.11 C ATOM 512 C LEU A 36 5.714 0.121 -4.200 1.00 62.23 C ATOM 513 O LEU A 36 5.545 -1.032 -4.564 1.00 34.51 O ATOM 514 CB LEU A 36 4.337 1.522 -2.578 1.00 13.44 C ATOM 515 CG LEU A 36 3.813 1.795 -1.129 1.00 14.35 C ATOM 516 CD1 LEU A 36 2.669 2.835 -1.130 1.00 2.02 C ATOM 517 CD2 LEU A 36 3.377 0.485 -0.425 1.00 54.23 C ATOM 0 H LEU A 36 6.682 2.017 -1.821 1.00 43.41 H new ATOM 0 HA LEU A 36 5.257 -0.378 -2.140 1.00 52.11 H new ATOM 0 HB2 LEU A 36 4.652 2.472 -3.010 1.00 13.44 H new ATOM 0 HB3 LEU A 36 3.503 1.159 -3.179 1.00 13.44 H new ATOM 0 HG LEU A 36 4.642 2.214 -0.559 1.00 14.35 H new ATOM 0 HD11 LEU A 36 2.328 3.002 -0.108 1.00 2.02 H new ATOM 0 HD12 LEU A 36 3.031 3.774 -1.549 1.00 2.02 H new ATOM 0 HD13 LEU A 36 1.840 2.464 -1.733 1.00 2.02 H new ATOM 0 HD21 LEU A 36 3.019 0.713 0.579 1.00 54.23 H new ATOM 0 HD22 LEU A 36 2.578 0.013 -0.997 1.00 54.23 H new ATOM 0 HD23 LEU A 36 4.227 -0.194 -0.361 1.00 54.23 H new ATOM 529 N ARG A 37 6.166 1.100 -5.007 1.00 32.02 N ATOM 530 CA ARG A 37 6.447 0.928 -6.450 1.00 25.32 C ATOM 531 C ARG A 37 7.483 -0.200 -6.728 1.00 55.44 C ATOM 532 O ARG A 37 7.460 -0.811 -7.801 1.00 3.13 O ATOM 533 CB ARG A 37 6.927 2.282 -7.029 1.00 62.31 C ATOM 534 CG ARG A 37 7.113 2.301 -8.563 1.00 3.13 C ATOM 535 CD ARG A 37 7.342 3.714 -9.123 1.00 43.30 C ATOM 536 NE ARG A 37 7.667 3.685 -10.565 1.00 50.14 N ATOM 537 CZ ARG A 37 7.106 4.426 -11.498 1.00 11.13 C ATOM 538 NH1 ARG A 37 6.187 5.287 -11.207 1.00 75.04 N ATOM 539 NH2 ARG A 37 7.472 4.306 -12.731 1.00 64.01 N ATOM 0 H ARG A 37 6.349 2.046 -4.673 1.00 32.02 H new ATOM 0 HA ARG A 37 5.527 0.617 -6.945 1.00 25.32 H new ATOM 0 HB2 ARG A 37 6.208 3.054 -6.755 1.00 62.31 H new ATOM 0 HB3 ARG A 37 7.874 2.547 -6.559 1.00 62.31 H new ATOM 0 HG2 ARG A 37 7.961 1.669 -8.828 1.00 3.13 H new ATOM 0 HG3 ARG A 37 6.232 1.867 -9.036 1.00 3.13 H new ATOM 0 HD2 ARG A 37 6.449 4.318 -8.963 1.00 43.30 H new ATOM 0 HD3 ARG A 37 8.153 4.195 -8.577 1.00 43.30 H new ATOM 0 HE ARG A 37 8.391 3.032 -10.864 1.00 50.14 H new ATOM 0 HH11 ARG A 37 5.884 5.402 -10.240 1.00 75.04 H new ATOM 0 HH12 ARG A 37 5.765 5.851 -11.944 1.00 75.04 H new ATOM 0 HH21 ARG A 37 8.198 3.636 -12.985 1.00 64.01 H new ATOM 0 HH22 ARG A 37 7.035 4.882 -13.451 1.00 64.01 H new ATOM 553 N GLU A 38 8.359 -0.485 -5.741 1.00 55.25 N ATOM 554 CA GLU A 38 9.359 -1.578 -5.846 1.00 4.22 C ATOM 555 C GLU A 38 8.696 -2.960 -5.632 1.00 21.32 C ATOM 556 O GLU A 38 8.967 -3.913 -6.374 1.00 54.11 O ATOM 557 CB GLU A 38 10.509 -1.397 -4.816 1.00 1.50 C ATOM 558 CG GLU A 38 11.382 -0.140 -5.021 1.00 32.21 C ATOM 559 CD GLU A 38 12.561 -0.078 -4.040 1.00 42.35 C ATOM 560 OE1 GLU A 38 12.333 0.204 -2.847 1.00 43.53 O ATOM 561 OE2 GLU A 38 13.714 -0.347 -4.448 1.00 22.24 O ATOM 0 H GLU A 38 8.397 0.026 -4.859 1.00 55.25 H new ATOM 0 HA GLU A 38 9.777 -1.531 -6.852 1.00 4.22 H new ATOM 0 HB2 GLU A 38 10.077 -1.361 -3.816 1.00 1.50 H new ATOM 0 HB3 GLU A 38 11.152 -2.277 -4.854 1.00 1.50 H new ATOM 0 HG2 GLU A 38 11.762 -0.128 -6.042 1.00 32.21 H new ATOM 0 HG3 GLU A 38 10.765 0.751 -4.900 1.00 32.21 H new ATOM 568 N LEU A 39 7.825 -3.049 -4.610 1.00 62.22 N ATOM 569 CA LEU A 39 7.117 -4.301 -4.255 1.00 14.44 C ATOM 570 C LEU A 39 5.959 -4.607 -5.231 1.00 15.11 C ATOM 571 O LEU A 39 5.483 -5.741 -5.278 1.00 10.24 O ATOM 572 CB LEU A 39 6.591 -4.226 -2.798 1.00 53.34 C ATOM 573 CG LEU A 39 7.682 -4.040 -1.690 1.00 64.25 C ATOM 574 CD1 LEU A 39 7.050 -3.947 -0.284 1.00 33.24 C ATOM 575 CD2 LEU A 39 8.754 -5.160 -1.750 1.00 44.23 C ATOM 0 H LEU A 39 7.590 -2.261 -4.007 1.00 62.22 H new ATOM 0 HA LEU A 39 7.834 -5.118 -4.335 1.00 14.44 H new ATOM 0 HB2 LEU A 39 5.885 -3.399 -2.729 1.00 53.34 H new ATOM 0 HB3 LEU A 39 6.035 -5.139 -2.585 1.00 53.34 H new ATOM 0 HG LEU A 39 8.185 -3.094 -1.889 1.00 64.25 H new ATOM 0 HD11 LEU A 39 7.836 -3.818 0.460 1.00 33.24 H new ATOM 0 HD12 LEU A 39 6.371 -3.095 -0.246 1.00 33.24 H new ATOM 0 HD13 LEU A 39 6.496 -4.862 -0.073 1.00 33.24 H new ATOM 0 HD21 LEU A 39 9.494 -4.998 -0.966 1.00 44.23 H new ATOM 0 HD22 LEU A 39 8.277 -6.129 -1.603 1.00 44.23 H new ATOM 0 HD23 LEU A 39 9.245 -5.142 -2.723 1.00 44.23 H new ATOM 587 N VAL A 40 5.519 -3.585 -5.996 1.00 62.21 N ATOM 588 CA VAL A 40 4.429 -3.717 -6.997 1.00 23.33 C ATOM 589 C VAL A 40 4.997 -3.846 -8.443 1.00 53.13 C ATOM 590 O VAL A 40 5.396 -2.840 -9.047 1.00 14.44 O ATOM 591 CB VAL A 40 3.435 -2.485 -6.921 1.00 32.15 C ATOM 592 CG1 VAL A 40 2.261 -2.614 -7.927 1.00 50.25 C ATOM 593 CG2 VAL A 40 2.912 -2.288 -5.479 1.00 54.33 C ATOM 0 H VAL A 40 5.907 -2.643 -5.940 1.00 62.21 H new ATOM 0 HA VAL A 40 3.881 -4.628 -6.757 1.00 23.33 H new ATOM 0 HB VAL A 40 4.001 -1.598 -7.207 1.00 32.15 H new ATOM 0 HG11 VAL A 40 1.608 -1.746 -7.837 1.00 50.25 H new ATOM 0 HG12 VAL A 40 2.656 -2.667 -8.942 1.00 50.25 H new ATOM 0 HG13 VAL A 40 1.694 -3.519 -7.710 1.00 50.25 H new ATOM 0 HG21 VAL A 40 2.232 -1.437 -5.452 1.00 54.33 H new ATOM 0 HG22 VAL A 40 2.383 -3.185 -5.158 1.00 54.33 H new ATOM 0 HG23 VAL A 40 3.752 -2.103 -4.809 1.00 54.33 H new ATOM 603 N PRO A 41 5.050 -5.096 -9.031 1.00 34.54 N ATOM 604 CA PRO A 41 5.379 -5.307 -10.471 1.00 2.21 C ATOM 605 C PRO A 41 4.235 -4.852 -11.416 1.00 13.13 C ATOM 606 O PRO A 41 4.423 -4.787 -12.634 1.00 25.53 O ATOM 607 CB PRO A 41 5.629 -6.847 -10.575 1.00 15.22 C ATOM 608 CG PRO A 41 5.710 -7.333 -9.152 1.00 55.44 C ATOM 609 CD PRO A 41 4.833 -6.399 -8.357 1.00 11.42 C ATOM 0 HA PRO A 41 6.239 -4.714 -10.783 1.00 2.21 H new ATOM 0 HB2 PRO A 41 4.821 -7.341 -11.114 1.00 15.22 H new ATOM 0 HB3 PRO A 41 6.551 -7.060 -11.117 1.00 15.22 H new ATOM 0 HG2 PRO A 41 5.363 -8.363 -9.069 1.00 55.44 H new ATOM 0 HG3 PRO A 41 6.737 -7.312 -8.788 1.00 55.44 H new ATOM 0 HD2 PRO A 41 3.786 -6.702 -8.388 1.00 11.42 H new ATOM 0 HD3 PRO A 41 5.124 -6.365 -7.307 1.00 11.42 H new ATOM 617 N GLY A 42 3.053 -4.541 -10.827 1.00 23.13 N ATOM 618 CA GLY A 42 1.898 -4.001 -11.562 1.00 3.44 C ATOM 619 C GLY A 42 2.136 -2.618 -12.183 1.00 21.44 C ATOM 620 O GLY A 42 1.323 -2.160 -12.996 1.00 25.24 O ATOM 0 H GLY A 42 2.881 -4.660 -9.829 1.00 23.13 H new ATOM 0 HA2 GLY A 42 1.626 -4.700 -12.353 1.00 3.44 H new ATOM 0 HA3 GLY A 42 1.047 -3.940 -10.884 1.00 3.44 H new ATOM 624 N VAL A 43 3.227 -1.941 -11.768 1.00 72.33 N ATOM 625 CA VAL A 43 3.708 -0.699 -12.415 1.00 33.30 C ATOM 626 C VAL A 43 4.550 -1.048 -13.683 1.00 71.22 C ATOM 627 O VAL A 43 5.605 -1.685 -13.553 1.00 41.22 O ATOM 628 CB VAL A 43 4.594 0.175 -11.435 1.00 73.10 C ATOM 629 CG1 VAL A 43 4.947 1.548 -12.060 1.00 63.52 C ATOM 630 CG2 VAL A 43 3.911 0.347 -10.056 1.00 13.35 C ATOM 0 H VAL A 43 3.799 -2.238 -10.977 1.00 72.33 H new ATOM 0 HA VAL A 43 2.828 -0.118 -12.692 1.00 33.30 H new ATOM 0 HB VAL A 43 5.528 -0.364 -11.276 1.00 73.10 H new ATOM 0 HG11 VAL A 43 5.555 2.121 -11.360 1.00 63.52 H new ATOM 0 HG12 VAL A 43 5.504 1.395 -12.984 1.00 63.52 H new ATOM 0 HG13 VAL A 43 4.030 2.096 -12.276 1.00 63.52 H new ATOM 0 HG21 VAL A 43 4.546 0.952 -9.408 1.00 13.35 H new ATOM 0 HG22 VAL A 43 2.949 0.842 -10.186 1.00 13.35 H new ATOM 0 HG23 VAL A 43 3.757 -0.632 -9.602 1.00 13.35 H new ATOM 640 N PRO A 44 4.089 -0.687 -14.926 1.00 40.14 N ATOM 641 CA PRO A 44 4.901 -0.871 -16.168 1.00 72.04 C ATOM 642 C PRO A 44 6.166 0.045 -16.227 1.00 33.40 C ATOM 643 O PRO A 44 6.430 0.835 -15.306 1.00 11.33 O ATOM 644 CB PRO A 44 3.897 -0.548 -17.318 1.00 35.13 C ATOM 645 CG PRO A 44 2.536 -0.597 -16.677 1.00 53.33 C ATOM 646 CD PRO A 44 2.743 -0.148 -15.247 1.00 61.04 C ATOM 0 HA PRO A 44 5.315 -1.877 -16.229 1.00 72.04 H new ATOM 0 HB2 PRO A 44 4.094 0.433 -17.749 1.00 35.13 H new ATOM 0 HB3 PRO A 44 3.978 -1.274 -18.127 1.00 35.13 H new ATOM 0 HG2 PRO A 44 1.835 0.057 -17.195 1.00 53.33 H new ATOM 0 HG3 PRO A 44 2.121 -1.604 -16.715 1.00 53.33 H new ATOM 0 HD2 PRO A 44 2.709 0.938 -15.155 1.00 61.04 H new ATOM 0 HD3 PRO A 44 1.978 -0.548 -14.582 1.00 61.04 H new ATOM 654 N ARG A 45 6.924 -0.061 -17.339 1.00 20.14 N ATOM 655 CA ARG A 45 8.234 0.616 -17.506 1.00 4.42 C ATOM 656 C ARG A 45 8.084 2.158 -17.613 1.00 54.10 C ATOM 657 O ARG A 45 7.545 2.667 -18.599 1.00 25.45 O ATOM 658 CB ARG A 45 8.979 0.054 -18.757 1.00 4.33 C ATOM 659 CG ARG A 45 9.219 -1.478 -18.743 1.00 51.00 C ATOM 660 CD ARG A 45 10.013 -1.965 -17.513 1.00 43.01 C ATOM 661 NE ARG A 45 11.355 -1.354 -17.423 1.00 72.12 N ATOM 662 CZ ARG A 45 12.186 -1.484 -16.410 1.00 12.11 C ATOM 663 NH1 ARG A 45 11.874 -2.187 -15.362 1.00 73.32 N ATOM 664 NH2 ARG A 45 13.341 -0.900 -16.452 1.00 4.33 N ATOM 0 H ARG A 45 6.648 -0.618 -18.148 1.00 20.14 H new ATOM 0 HA ARG A 45 8.825 0.408 -16.614 1.00 4.42 H new ATOM 0 HB2 ARG A 45 8.405 0.309 -19.648 1.00 4.33 H new ATOM 0 HB3 ARG A 45 9.942 0.557 -18.844 1.00 4.33 H new ATOM 0 HG2 ARG A 45 8.257 -1.989 -18.770 1.00 51.00 H new ATOM 0 HG3 ARG A 45 9.756 -1.762 -19.648 1.00 51.00 H new ATOM 0 HD2 ARG A 45 9.451 -1.733 -16.608 1.00 43.01 H new ATOM 0 HD3 ARG A 45 10.114 -3.049 -17.557 1.00 43.01 H new ATOM 0 HE ARG A 45 11.663 -0.784 -18.211 1.00 72.12 H new ATOM 0 HH11 ARG A 45 10.968 -2.653 -15.312 1.00 73.32 H new ATOM 0 HH12 ARG A 45 12.535 -2.273 -14.590 1.00 73.32 H new ATOM 0 HH21 ARG A 45 13.602 -0.344 -17.266 1.00 4.33 H new ATOM 0 HH22 ARG A 45 13.990 -0.996 -15.671 1.00 4.33 H new ATOM 678 N GLY A 46 8.546 2.877 -16.567 1.00 42.32 N ATOM 679 CA GLY A 46 8.548 4.351 -16.529 1.00 13.22 C ATOM 680 C GLY A 46 7.160 5.001 -16.444 1.00 32.15 C ATOM 681 O GLY A 46 6.999 6.175 -16.803 1.00 34.45 O ATOM 0 H GLY A 46 8.928 2.448 -15.724 1.00 42.32 H new ATOM 0 HA2 GLY A 46 9.138 4.676 -15.672 1.00 13.22 H new ATOM 0 HA3 GLY A 46 9.052 4.722 -17.422 1.00 13.22 H new ATOM 685 N THR A 47 6.159 4.242 -15.954 1.00 34.32 N ATOM 686 CA THR A 47 4.761 4.718 -15.844 1.00 0.50 C ATOM 687 C THR A 47 4.595 5.732 -14.690 1.00 41.22 C ATOM 688 O THR A 47 4.701 5.378 -13.514 1.00 42.20 O ATOM 689 CB THR A 47 3.778 3.522 -15.654 1.00 53.11 C ATOM 690 OG1 THR A 47 3.912 2.624 -16.771 1.00 31.53 O ATOM 691 CG2 THR A 47 2.304 3.971 -15.535 1.00 61.22 C ATOM 0 H THR A 47 6.294 3.286 -15.624 1.00 34.32 H new ATOM 0 HA THR A 47 4.518 5.226 -16.778 1.00 0.50 H new ATOM 0 HB THR A 47 4.041 3.028 -14.719 1.00 53.11 H new ATOM 0 HG1 THR A 47 3.056 2.175 -16.934 1.00 31.53 H new ATOM 0 HG21 THR A 47 1.667 3.096 -15.405 1.00 61.22 H new ATOM 0 HG22 THR A 47 2.193 4.632 -14.676 1.00 61.22 H new ATOM 0 HG23 THR A 47 2.011 4.502 -16.441 1.00 61.22 H new ATOM 699 N GLN A 48 4.344 6.995 -15.049 1.00 63.01 N ATOM 700 CA GLN A 48 4.205 8.106 -14.092 1.00 55.24 C ATOM 701 C GLN A 48 2.781 8.146 -13.480 1.00 5.13 C ATOM 702 O GLN A 48 1.795 8.440 -14.165 1.00 45.11 O ATOM 703 CB GLN A 48 4.543 9.436 -14.813 1.00 44.03 C ATOM 704 CG GLN A 48 4.530 10.689 -13.915 1.00 73.43 C ATOM 705 CD GLN A 48 4.966 11.949 -14.671 1.00 55.24 C ATOM 706 OE1 GLN A 48 6.144 12.290 -14.714 1.00 43.45 O ATOM 707 NE2 GLN A 48 4.024 12.643 -15.277 1.00 2.02 N ATOM 0 H GLN A 48 4.230 7.281 -16.021 1.00 63.01 H new ATOM 0 HA GLN A 48 4.900 7.957 -13.266 1.00 55.24 H new ATOM 0 HB2 GLN A 48 5.529 9.344 -15.268 1.00 44.03 H new ATOM 0 HB3 GLN A 48 3.830 9.582 -15.625 1.00 44.03 H new ATOM 0 HG2 GLN A 48 3.527 10.837 -13.515 1.00 73.43 H new ATOM 0 HG3 GLN A 48 5.192 10.531 -13.064 1.00 73.43 H new ATOM 0 HE21 GLN A 48 3.052 12.337 -15.225 1.00 2.02 H new ATOM 0 HE22 GLN A 48 4.267 13.486 -15.798 1.00 2.02 H new ATOM 716 N LEU A 49 2.697 7.820 -12.183 1.00 33.33 N ATOM 717 CA LEU A 49 1.434 7.837 -11.407 1.00 75.23 C ATOM 718 C LEU A 49 1.502 8.894 -10.277 1.00 71.33 C ATOM 719 O LEU A 49 2.579 9.125 -9.706 1.00 4.25 O ATOM 720 CB LEU A 49 1.173 6.428 -10.799 1.00 50.13 C ATOM 721 CG LEU A 49 1.001 5.255 -11.822 1.00 53.33 C ATOM 722 CD1 LEU A 49 0.909 3.884 -11.105 1.00 42.31 C ATOM 723 CD2 LEU A 49 -0.223 5.486 -12.746 1.00 50.34 C ATOM 0 H LEU A 49 3.506 7.534 -11.632 1.00 33.33 H new ATOM 0 HA LEU A 49 0.616 8.100 -12.077 1.00 75.23 H new ATOM 0 HB2 LEU A 49 2.001 6.183 -10.133 1.00 50.13 H new ATOM 0 HB3 LEU A 49 0.274 6.481 -10.184 1.00 50.13 H new ATOM 0 HG LEU A 49 1.892 5.239 -12.449 1.00 53.33 H new ATOM 0 HD11 LEU A 49 0.790 3.093 -11.846 1.00 42.31 H new ATOM 0 HD12 LEU A 49 1.820 3.711 -10.533 1.00 42.31 H new ATOM 0 HD13 LEU A 49 0.052 3.882 -10.432 1.00 42.31 H new ATOM 0 HD21 LEU A 49 -0.314 4.654 -13.444 1.00 50.34 H new ATOM 0 HD22 LEU A 49 -1.128 5.553 -12.142 1.00 50.34 H new ATOM 0 HD23 LEU A 49 -0.089 6.413 -13.303 1.00 50.34 H new ATOM 735 N SER A 50 0.354 9.530 -9.961 1.00 72.44 N ATOM 736 CA SER A 50 0.233 10.421 -8.775 1.00 50.02 C ATOM 737 C SER A 50 0.243 9.577 -7.480 1.00 64.32 C ATOM 738 O SER A 50 0.041 8.370 -7.544 1.00 11.31 O ATOM 739 CB SER A 50 -1.069 11.259 -8.842 1.00 54.11 C ATOM 740 OG SER A 50 -2.225 10.449 -8.699 1.00 74.43 O ATOM 0 H SER A 50 -0.504 9.447 -10.506 1.00 72.44 H new ATOM 0 HA SER A 50 1.083 11.103 -8.772 1.00 50.02 H new ATOM 0 HB2 SER A 50 -1.055 12.015 -8.057 1.00 54.11 H new ATOM 0 HB3 SER A 50 -1.112 11.789 -9.794 1.00 54.11 H new ATOM 0 HG SER A 50 -3.026 11.011 -8.745 1.00 74.43 H new ATOM 746 N GLN A 51 0.460 10.219 -6.312 1.00 71.00 N ATOM 747 CA GLN A 51 0.469 9.526 -4.990 1.00 15.32 C ATOM 748 C GLN A 51 -0.851 8.749 -4.734 1.00 21.22 C ATOM 749 O GLN A 51 -0.848 7.704 -4.079 1.00 11.23 O ATOM 750 CB GLN A 51 0.709 10.548 -3.847 1.00 24.33 C ATOM 751 CG GLN A 51 2.049 11.300 -3.929 1.00 33.20 C ATOM 752 CD GLN A 51 2.244 12.292 -2.775 1.00 74.04 C ATOM 753 OE1 GLN A 51 1.866 13.455 -2.865 1.00 20.03 O ATOM 754 NE2 GLN A 51 2.841 11.840 -1.687 1.00 4.53 N ATOM 0 H GLN A 51 0.633 11.222 -6.250 1.00 71.00 H new ATOM 0 HA GLN A 51 1.284 8.803 -5.008 1.00 15.32 H new ATOM 0 HB2 GLN A 51 -0.102 11.276 -3.853 1.00 24.33 H new ATOM 0 HB3 GLN A 51 0.660 10.024 -2.893 1.00 24.33 H new ATOM 0 HG2 GLN A 51 2.866 10.579 -3.924 1.00 33.20 H new ATOM 0 HG3 GLN A 51 2.102 11.836 -4.876 1.00 33.20 H new ATOM 0 HE21 GLN A 51 3.145 10.868 -1.639 1.00 4.53 H new ATOM 0 HE22 GLN A 51 2.998 12.463 -0.895 1.00 4.53 H new ATOM 763 N VAL A 52 -1.963 9.275 -5.290 1.00 2.10 N ATOM 764 CA VAL A 52 -3.297 8.632 -5.206 1.00 44.44 C ATOM 765 C VAL A 52 -3.325 7.337 -6.060 1.00 22.43 C ATOM 766 O VAL A 52 -3.762 6.280 -5.602 1.00 0.15 O ATOM 767 CB VAL A 52 -4.448 9.600 -5.701 1.00 31.44 C ATOM 768 CG1 VAL A 52 -5.832 9.128 -5.195 1.00 40.54 C ATOM 769 CG2 VAL A 52 -4.178 11.074 -5.311 1.00 53.42 C ATOM 0 H VAL A 52 -1.965 10.154 -5.808 1.00 2.10 H new ATOM 0 HA VAL A 52 -3.473 8.392 -4.157 1.00 44.44 H new ATOM 0 HB VAL A 52 -4.456 9.557 -6.790 1.00 31.44 H new ATOM 0 HG11 VAL A 52 -6.602 9.812 -5.551 1.00 40.54 H new ATOM 0 HG12 VAL A 52 -6.035 8.126 -5.572 1.00 40.54 H new ATOM 0 HG13 VAL A 52 -5.835 9.113 -4.105 1.00 40.54 H new ATOM 0 HG21 VAL A 52 -4.994 11.701 -5.671 1.00 53.42 H new ATOM 0 HG22 VAL A 52 -4.109 11.157 -4.226 1.00 53.42 H new ATOM 0 HG23 VAL A 52 -3.241 11.404 -5.760 1.00 53.42 H new ATOM 779 N GLU A 53 -2.829 7.459 -7.309 1.00 62.24 N ATOM 780 CA GLU A 53 -2.763 6.346 -8.282 1.00 54.41 C ATOM 781 C GLU A 53 -1.750 5.253 -7.865 1.00 2.33 C ATOM 782 O GLU A 53 -1.890 4.099 -8.279 1.00 21.34 O ATOM 783 CB GLU A 53 -2.417 6.886 -9.686 1.00 15.31 C ATOM 784 CG GLU A 53 -3.474 7.839 -10.289 1.00 75.31 C ATOM 785 CD GLU A 53 -3.054 8.396 -11.657 1.00 75.11 C ATOM 786 OE1 GLU A 53 -2.284 9.380 -11.695 1.00 21.05 O ATOM 787 OE2 GLU A 53 -3.472 7.847 -12.700 1.00 44.04 O ATOM 0 H GLU A 53 -2.461 8.337 -7.674 1.00 62.24 H new ATOM 0 HA GLU A 53 -3.748 5.879 -8.303 1.00 54.41 H new ATOM 0 HB2 GLU A 53 -1.463 7.410 -9.634 1.00 15.31 H new ATOM 0 HB3 GLU A 53 -2.281 6.042 -10.362 1.00 15.31 H new ATOM 0 HG2 GLU A 53 -4.420 7.308 -10.392 1.00 75.31 H new ATOM 0 HG3 GLU A 53 -3.646 8.667 -9.601 1.00 75.31 H new ATOM 794 N ILE A 54 -0.716 5.632 -7.079 1.00 34.33 N ATOM 795 CA ILE A 54 0.230 4.663 -6.485 1.00 34.14 C ATOM 796 C ILE A 54 -0.520 3.770 -5.476 1.00 75.24 C ATOM 797 O ILE A 54 -0.411 2.554 -5.543 1.00 62.11 O ATOM 798 CB ILE A 54 1.467 5.358 -5.781 1.00 62.13 C ATOM 799 CG1 ILE A 54 2.319 6.168 -6.816 1.00 62.03 C ATOM 800 CG2 ILE A 54 2.353 4.326 -5.025 1.00 63.34 C ATOM 801 CD1 ILE A 54 3.531 6.889 -6.231 1.00 35.44 C ATOM 0 H ILE A 54 -0.517 6.604 -6.842 1.00 34.33 H new ATOM 0 HA ILE A 54 0.633 4.061 -7.300 1.00 34.14 H new ATOM 0 HB ILE A 54 1.071 6.055 -5.043 1.00 62.13 H new ATOM 0 HG12 ILE A 54 2.662 5.486 -7.595 1.00 62.03 H new ATOM 0 HG13 ILE A 54 1.675 6.904 -7.297 1.00 62.03 H new ATOM 0 HG21 ILE A 54 3.191 4.841 -4.555 1.00 63.34 H new ATOM 0 HG22 ILE A 54 1.758 3.828 -4.260 1.00 63.34 H new ATOM 0 HG23 ILE A 54 2.731 3.586 -5.730 1.00 63.34 H new ATOM 0 HD11 ILE A 54 4.056 7.421 -7.025 1.00 35.44 H new ATOM 0 HD12 ILE A 54 3.201 7.601 -5.474 1.00 35.44 H new ATOM 0 HD13 ILE A 54 4.203 6.161 -5.776 1.00 35.44 H new ATOM 813 N LEU A 55 -1.308 4.400 -4.578 1.00 2.23 N ATOM 814 CA LEU A 55 -2.181 3.681 -3.608 1.00 42.22 C ATOM 815 C LEU A 55 -3.113 2.670 -4.318 1.00 22.30 C ATOM 816 O LEU A 55 -3.249 1.532 -3.879 1.00 64.33 O ATOM 817 CB LEU A 55 -3.040 4.689 -2.804 1.00 63.03 C ATOM 818 CG LEU A 55 -2.272 5.675 -1.882 1.00 65.42 C ATOM 819 CD1 LEU A 55 -3.231 6.711 -1.242 1.00 63.45 C ATOM 820 CD2 LEU A 55 -1.470 4.905 -0.811 1.00 31.43 C ATOM 0 H LEU A 55 -1.361 5.416 -4.500 1.00 2.23 H new ATOM 0 HA LEU A 55 -1.527 3.131 -2.931 1.00 42.22 H new ATOM 0 HB2 LEU A 55 -3.631 5.272 -3.510 1.00 63.03 H new ATOM 0 HB3 LEU A 55 -3.742 4.125 -2.190 1.00 63.03 H new ATOM 0 HG LEU A 55 -1.563 6.231 -2.495 1.00 65.42 H new ATOM 0 HD11 LEU A 55 -2.663 7.386 -0.603 1.00 63.45 H new ATOM 0 HD12 LEU A 55 -3.724 7.284 -2.027 1.00 63.45 H new ATOM 0 HD13 LEU A 55 -3.981 6.192 -0.646 1.00 63.45 H new ATOM 0 HD21 LEU A 55 -0.939 5.613 -0.175 1.00 31.43 H new ATOM 0 HD22 LEU A 55 -2.152 4.312 -0.202 1.00 31.43 H new ATOM 0 HD23 LEU A 55 -0.752 4.246 -1.298 1.00 31.43 H new ATOM 832 N GLN A 56 -3.726 3.122 -5.426 1.00 10.42 N ATOM 833 CA GLN A 56 -4.623 2.302 -6.275 1.00 63.14 C ATOM 834 C GLN A 56 -3.870 1.134 -6.964 1.00 24.50 C ATOM 835 O GLN A 56 -4.424 0.044 -7.129 1.00 32.05 O ATOM 836 CB GLN A 56 -5.282 3.217 -7.340 1.00 64.33 C ATOM 837 CG GLN A 56 -6.191 4.320 -6.748 1.00 71.20 C ATOM 838 CD GLN A 56 -6.607 5.398 -7.755 1.00 62.21 C ATOM 839 OE1 GLN A 56 -6.723 5.153 -8.950 1.00 74.50 O ATOM 840 NE2 GLN A 56 -6.838 6.597 -7.273 1.00 24.01 N ATOM 0 H GLN A 56 -3.614 4.077 -5.765 1.00 10.42 H new ATOM 0 HA GLN A 56 -5.385 1.856 -5.636 1.00 63.14 H new ATOM 0 HB2 GLN A 56 -4.499 3.687 -7.935 1.00 64.33 H new ATOM 0 HB3 GLN A 56 -5.871 2.601 -8.019 1.00 64.33 H new ATOM 0 HG2 GLN A 56 -7.088 3.855 -6.339 1.00 71.20 H new ATOM 0 HG3 GLN A 56 -5.671 4.796 -5.917 1.00 71.20 H new ATOM 0 HE21 GLN A 56 -6.734 6.774 -6.274 1.00 24.01 H new ATOM 0 HE22 GLN A 56 -7.122 7.352 -7.898 1.00 24.01 H new ATOM 849 N ARG A 57 -2.615 1.386 -7.376 1.00 43.34 N ATOM 850 CA ARG A 57 -1.762 0.362 -8.026 1.00 41.12 C ATOM 851 C ARG A 57 -1.326 -0.718 -7.000 1.00 44.42 C ATOM 852 O ARG A 57 -1.190 -1.899 -7.338 1.00 13.23 O ATOM 853 CB ARG A 57 -0.516 1.036 -8.674 1.00 61.42 C ATOM 854 CG ARG A 57 0.254 0.149 -9.696 1.00 13.53 C ATOM 855 CD ARG A 57 -0.345 0.153 -11.125 1.00 22.52 C ATOM 856 NE ARG A 57 -1.775 -0.221 -11.169 1.00 2.43 N ATOM 857 CZ ARG A 57 -2.283 -1.278 -11.766 1.00 73.34 C ATOM 858 NH1 ARG A 57 -1.539 -2.138 -12.389 1.00 54.11 N ATOM 859 NH2 ARG A 57 -3.562 -1.454 -11.748 1.00 60.25 N ATOM 0 H ARG A 57 -2.162 2.294 -7.272 1.00 43.34 H new ATOM 0 HA ARG A 57 -2.341 -0.128 -8.809 1.00 41.12 H new ATOM 0 HB2 ARG A 57 -0.835 1.949 -9.176 1.00 61.42 H new ATOM 0 HB3 ARG A 57 0.172 1.332 -7.882 1.00 61.42 H new ATOM 0 HG2 ARG A 57 1.288 0.490 -9.748 1.00 13.53 H new ATOM 0 HG3 ARG A 57 0.274 -0.876 -9.326 1.00 13.53 H new ATOM 0 HD2 ARG A 57 -0.224 1.146 -11.558 1.00 22.52 H new ATOM 0 HD3 ARG A 57 0.222 -0.538 -11.749 1.00 22.52 H new ATOM 0 HE ARG A 57 -2.429 0.399 -10.692 1.00 2.43 H new ATOM 0 HH11 ARG A 57 -0.528 -2.005 -12.426 1.00 54.11 H new ATOM 0 HH12 ARG A 57 -1.964 -2.947 -12.842 1.00 54.11 H new ATOM 0 HH21 ARG A 57 -4.163 -0.779 -11.276 1.00 60.25 H new ATOM 0 HH22 ARG A 57 -3.971 -2.268 -12.206 1.00 60.25 H new ATOM 873 N VAL A 58 -1.113 -0.276 -5.746 1.00 44.43 N ATOM 874 CA VAL A 58 -0.822 -1.164 -4.609 1.00 12.03 C ATOM 875 C VAL A 58 -2.070 -2.000 -4.244 1.00 71.34 C ATOM 876 O VAL A 58 -1.940 -3.175 -3.943 1.00 63.54 O ATOM 877 CB VAL A 58 -0.318 -0.352 -3.356 1.00 62.31 C ATOM 878 CG1 VAL A 58 -0.073 -1.269 -2.136 1.00 12.22 C ATOM 879 CG2 VAL A 58 0.960 0.450 -3.697 1.00 42.22 C ATOM 0 H VAL A 58 -1.139 0.712 -5.494 1.00 44.43 H new ATOM 0 HA VAL A 58 -0.021 -1.839 -4.911 1.00 12.03 H new ATOM 0 HB VAL A 58 -1.108 0.349 -3.087 1.00 62.31 H new ATOM 0 HG11 VAL A 58 0.273 -0.670 -1.294 1.00 12.22 H new ATOM 0 HG12 VAL A 58 -1.002 -1.771 -1.866 1.00 12.22 H new ATOM 0 HG13 VAL A 58 0.683 -2.014 -2.386 1.00 12.22 H new ATOM 0 HG21 VAL A 58 1.289 1.002 -2.817 1.00 42.22 H new ATOM 0 HG22 VAL A 58 1.747 -0.236 -4.010 1.00 42.22 H new ATOM 0 HG23 VAL A 58 0.746 1.150 -4.505 1.00 42.22 H new ATOM 889 N ILE A 59 -3.269 -1.375 -4.289 1.00 32.23 N ATOM 890 CA ILE A 59 -4.564 -2.081 -4.106 1.00 45.02 C ATOM 891 C ILE A 59 -4.682 -3.256 -5.106 1.00 73.41 C ATOM 892 O ILE A 59 -4.969 -4.380 -4.710 1.00 35.15 O ATOM 893 CB ILE A 59 -5.785 -1.088 -4.281 1.00 12.25 C ATOM 894 CG1 ILE A 59 -5.864 -0.086 -3.081 1.00 22.33 C ATOM 895 CG2 ILE A 59 -7.131 -1.837 -4.474 1.00 32.43 C ATOM 896 CD1 ILE A 59 -6.907 1.011 -3.226 1.00 30.23 C ATOM 0 H ILE A 59 -3.369 -0.373 -4.452 1.00 32.23 H new ATOM 0 HA ILE A 59 -4.592 -2.477 -3.091 1.00 45.02 H new ATOM 0 HB ILE A 59 -5.607 -0.519 -5.194 1.00 12.25 H new ATOM 0 HG12 ILE A 59 -6.074 -0.648 -2.171 1.00 22.33 H new ATOM 0 HG13 ILE A 59 -4.886 0.378 -2.950 1.00 22.33 H new ATOM 0 HG21 ILE A 59 -7.937 -1.113 -4.590 1.00 32.43 H new ATOM 0 HG22 ILE A 59 -7.075 -2.463 -5.365 1.00 32.43 H new ATOM 0 HG23 ILE A 59 -7.327 -2.463 -3.603 1.00 32.43 H new ATOM 0 HD11 ILE A 59 -6.885 1.653 -2.345 1.00 30.23 H new ATOM 0 HD12 ILE A 59 -6.689 1.605 -4.114 1.00 30.23 H new ATOM 0 HD13 ILE A 59 -7.896 0.562 -3.323 1.00 30.23 H new ATOM 908 N ASP A 60 -4.416 -2.960 -6.393 1.00 13.31 N ATOM 909 CA ASP A 60 -4.437 -3.955 -7.494 1.00 5.31 C ATOM 910 C ASP A 60 -3.430 -5.109 -7.239 1.00 75.34 C ATOM 911 O ASP A 60 -3.724 -6.282 -7.507 1.00 0.43 O ATOM 912 CB ASP A 60 -4.122 -3.225 -8.826 1.00 53.03 C ATOM 913 CG ASP A 60 -4.177 -4.130 -10.075 1.00 73.42 C ATOM 914 OD1 ASP A 60 -5.287 -4.490 -10.510 1.00 72.01 O ATOM 915 OD2 ASP A 60 -3.114 -4.472 -10.629 1.00 72.25 O ATOM 0 H ASP A 60 -4.178 -2.018 -6.705 1.00 13.31 H new ATOM 0 HA ASP A 60 -5.426 -4.410 -7.548 1.00 5.31 H new ATOM 0 HB2 ASP A 60 -4.830 -2.406 -8.954 1.00 53.03 H new ATOM 0 HB3 ASP A 60 -3.129 -2.781 -8.757 1.00 53.03 H new ATOM 920 N TYR A 61 -2.242 -4.746 -6.714 1.00 33.11 N ATOM 921 CA TYR A 61 -1.181 -5.709 -6.343 1.00 53.34 C ATOM 922 C TYR A 61 -1.605 -6.640 -5.178 1.00 11.04 C ATOM 923 O TYR A 61 -1.359 -7.844 -5.223 1.00 15.04 O ATOM 924 CB TYR A 61 0.121 -4.954 -5.967 1.00 72.42 C ATOM 925 CG TYR A 61 1.219 -5.850 -5.363 1.00 32.12 C ATOM 926 CD1 TYR A 61 1.905 -6.775 -6.150 1.00 43.35 C ATOM 927 CD2 TYR A 61 1.505 -5.828 -3.992 1.00 41.21 C ATOM 928 CE1 TYR A 61 2.864 -7.600 -5.608 1.00 22.04 C ATOM 929 CE2 TYR A 61 2.467 -6.651 -3.457 1.00 41.35 C ATOM 930 CZ TYR A 61 3.124 -7.553 -4.262 1.00 14.02 C ATOM 931 OH TYR A 61 4.077 -8.381 -3.727 1.00 43.32 O ATOM 0 H TYR A 61 -1.989 -3.774 -6.534 1.00 33.11 H new ATOM 0 HA TYR A 61 -1.004 -6.339 -7.215 1.00 53.34 H new ATOM 0 HB2 TYR A 61 0.515 -4.467 -6.859 1.00 72.42 H new ATOM 0 HB3 TYR A 61 -0.122 -4.166 -5.254 1.00 72.42 H new ATOM 0 HD1 TYR A 61 1.679 -6.845 -7.204 1.00 43.35 H new ATOM 0 HD2 TYR A 61 0.962 -5.154 -3.346 1.00 41.21 H new ATOM 0 HE1 TYR A 61 3.411 -8.283 -6.241 1.00 22.04 H new ATOM 0 HE2 TYR A 61 2.707 -6.590 -2.406 1.00 41.35 H new ATOM 0 HH TYR A 61 4.854 -7.851 -3.452 1.00 43.32 H new ATOM 941 N ILE A 62 -2.193 -6.066 -4.112 1.00 62.54 N ATOM 942 CA ILE A 62 -2.632 -6.857 -2.943 1.00 72.05 C ATOM 943 C ILE A 62 -3.828 -7.755 -3.344 1.00 42.33 C ATOM 944 O ILE A 62 -3.949 -8.868 -2.857 1.00 54.33 O ATOM 945 CB ILE A 62 -2.995 -5.967 -1.688 1.00 65.11 C ATOM 946 CG1 ILE A 62 -1.841 -4.966 -1.339 1.00 54.11 C ATOM 947 CG2 ILE A 62 -3.302 -6.861 -0.455 1.00 22.42 C ATOM 948 CD1 ILE A 62 -2.163 -3.996 -0.205 1.00 32.11 C ATOM 0 H ILE A 62 -2.375 -5.065 -4.034 1.00 62.54 H new ATOM 0 HA ILE A 62 -1.789 -7.477 -2.637 1.00 72.05 H new ATOM 0 HB ILE A 62 -3.883 -5.390 -1.945 1.00 65.11 H new ATOM 0 HG12 ILE A 62 -0.952 -5.536 -1.070 1.00 54.11 H new ATOM 0 HG13 ILE A 62 -1.594 -4.392 -2.232 1.00 54.11 H new ATOM 0 HG21 ILE A 62 -3.550 -6.230 0.399 1.00 22.42 H new ATOM 0 HG22 ILE A 62 -4.145 -7.514 -0.680 1.00 22.42 H new ATOM 0 HG23 ILE A 62 -2.427 -7.466 -0.217 1.00 22.42 H new ATOM 0 HD11 ILE A 62 -1.309 -3.342 -0.032 1.00 32.11 H new ATOM 0 HD12 ILE A 62 -3.031 -3.395 -0.476 1.00 32.11 H new ATOM 0 HD13 ILE A 62 -2.380 -4.558 0.704 1.00 32.11 H new ATOM 960 N LEU A 63 -4.680 -7.268 -4.271 1.00 13.22 N ATOM 961 CA LEU A 63 -5.757 -8.080 -4.892 1.00 62.12 C ATOM 962 C LEU A 63 -5.188 -9.315 -5.641 1.00 24.43 C ATOM 963 O LEU A 63 -5.795 -10.374 -5.617 1.00 41.13 O ATOM 964 CB LEU A 63 -6.625 -7.204 -5.841 1.00 52.12 C ATOM 965 CG LEU A 63 -7.557 -6.165 -5.134 1.00 74.44 C ATOM 966 CD1 LEU A 63 -8.264 -5.251 -6.153 1.00 34.22 C ATOM 967 CD2 LEU A 63 -8.577 -6.872 -4.213 1.00 65.33 C ATOM 0 H LEU A 63 -4.644 -6.307 -4.611 1.00 13.22 H new ATOM 0 HA LEU A 63 -6.393 -8.454 -4.089 1.00 62.12 H new ATOM 0 HB2 LEU A 63 -5.962 -6.668 -6.520 1.00 52.12 H new ATOM 0 HB3 LEU A 63 -7.242 -7.863 -6.452 1.00 52.12 H new ATOM 0 HG LEU A 63 -6.927 -5.529 -4.511 1.00 74.44 H new ATOM 0 HD11 LEU A 63 -8.902 -4.543 -5.625 1.00 34.22 H new ATOM 0 HD12 LEU A 63 -7.518 -4.706 -6.731 1.00 34.22 H new ATOM 0 HD13 LEU A 63 -8.872 -5.857 -6.825 1.00 34.22 H new ATOM 0 HD21 LEU A 63 -9.212 -6.127 -3.734 1.00 65.33 H new ATOM 0 HD22 LEU A 63 -9.194 -7.548 -4.805 1.00 65.33 H new ATOM 0 HD23 LEU A 63 -8.045 -7.440 -3.450 1.00 65.33 H new ATOM 979 N ASP A 64 -4.011 -9.162 -6.276 1.00 23.31 N ATOM 980 CA ASP A 64 -3.260 -10.292 -6.891 1.00 2.30 C ATOM 981 C ASP A 64 -2.857 -11.355 -5.828 1.00 53.05 C ATOM 982 O ASP A 64 -2.787 -12.545 -6.130 1.00 44.02 O ATOM 983 CB ASP A 64 -2.011 -9.744 -7.635 1.00 3.12 C ATOM 984 CG ASP A 64 -1.116 -10.840 -8.245 1.00 21.14 C ATOM 985 OD1 ASP A 64 -1.441 -11.347 -9.339 1.00 63.42 O ATOM 986 OD2 ASP A 64 -0.087 -11.207 -7.631 1.00 15.31 O ATOM 0 H ASP A 64 -3.549 -8.259 -6.381 1.00 23.31 H new ATOM 0 HA ASP A 64 -3.911 -10.791 -7.609 1.00 2.30 H new ATOM 0 HB2 ASP A 64 -2.339 -9.073 -8.429 1.00 3.12 H new ATOM 0 HB3 ASP A 64 -1.418 -9.150 -6.940 1.00 3.12 H new ATOM 991 N LEU A 65 -2.594 -10.898 -4.591 1.00 34.22 N ATOM 992 CA LEU A 65 -2.202 -11.773 -3.457 1.00 73.44 C ATOM 993 C LEU A 65 -3.428 -12.368 -2.714 1.00 20.30 C ATOM 994 O LEU A 65 -3.351 -13.472 -2.166 1.00 5.15 O ATOM 995 CB LEU A 65 -1.320 -10.968 -2.462 1.00 42.44 C ATOM 996 CG LEU A 65 -0.059 -10.279 -3.081 1.00 35.33 C ATOM 997 CD1 LEU A 65 0.749 -9.511 -2.009 1.00 5.33 C ATOM 998 CD2 LEU A 65 0.830 -11.304 -3.836 1.00 52.21 C ATOM 0 H LEU A 65 -2.646 -9.910 -4.343 1.00 34.22 H new ATOM 0 HA LEU A 65 -1.639 -12.611 -3.868 1.00 73.44 H new ATOM 0 HB2 LEU A 65 -1.938 -10.201 -1.995 1.00 42.44 H new ATOM 0 HB3 LEU A 65 -0.992 -11.640 -1.669 1.00 42.44 H new ATOM 0 HG LEU A 65 -0.409 -9.548 -3.810 1.00 35.33 H new ATOM 0 HD11 LEU A 65 1.618 -9.045 -2.473 1.00 5.33 H new ATOM 0 HD12 LEU A 65 0.120 -8.742 -1.561 1.00 5.33 H new ATOM 0 HD13 LEU A 65 1.079 -10.205 -1.236 1.00 5.33 H new ATOM 0 HD21 LEU A 65 1.698 -10.794 -4.255 1.00 52.21 H new ATOM 0 HD22 LEU A 65 1.162 -12.077 -3.143 1.00 52.21 H new ATOM 0 HD23 LEU A 65 0.255 -11.761 -4.641 1.00 52.21 H new ATOM 1010 N GLN A 66 -4.549 -11.624 -2.699 1.00 23.43 N ATOM 1011 CA GLN A 66 -5.787 -12.024 -1.978 1.00 72.12 C ATOM 1012 C GLN A 66 -6.729 -12.855 -2.884 1.00 52.43 C ATOM 1013 O GLN A 66 -6.979 -14.035 -2.632 1.00 24.41 O ATOM 1014 CB GLN A 66 -6.551 -10.768 -1.439 1.00 23.31 C ATOM 1015 CG GLN A 66 -5.752 -9.818 -0.508 1.00 42.01 C ATOM 1016 CD GLN A 66 -5.325 -10.413 0.839 1.00 22.15 C ATOM 1017 OE1 GLN A 66 -5.073 -11.604 0.973 1.00 2.51 O ATOM 1018 NE2 GLN A 66 -5.238 -9.577 1.856 1.00 21.43 N ATOM 0 H GLN A 66 -4.630 -10.730 -3.183 1.00 23.43 H new ATOM 0 HA GLN A 66 -5.481 -12.645 -1.136 1.00 72.12 H new ATOM 0 HB2 GLN A 66 -6.904 -10.191 -2.294 1.00 23.31 H new ATOM 0 HB3 GLN A 66 -7.434 -11.111 -0.900 1.00 23.31 H new ATOM 0 HG2 GLN A 66 -4.859 -9.486 -1.038 1.00 42.01 H new ATOM 0 HG3 GLN A 66 -6.357 -8.932 -0.318 1.00 42.01 H new ATOM 0 HE21 GLN A 66 -5.452 -8.589 1.723 1.00 21.43 H new ATOM 0 HE22 GLN A 66 -4.957 -9.919 2.775 1.00 21.43 H new ATOM 1431 N ASP B 27 -11.898 13.440 -0.354 1.00 63.24 N ATOM 1432 CA ASP B 27 -10.586 12.809 -0.081 1.00 31.43 C ATOM 1433 C ASP B 27 -10.430 11.446 -0.814 1.00 63.43 C ATOM 1434 O ASP B 27 -10.718 10.378 -0.255 1.00 21.22 O ATOM 1435 CB ASP B 27 -10.325 12.677 1.447 1.00 64.20 C ATOM 1436 CG ASP B 27 -10.298 14.039 2.161 1.00 62.52 C ATOM 1437 OD1 ASP B 27 -11.376 14.561 2.528 1.00 13.31 O ATOM 1438 OD2 ASP B 27 -9.197 14.607 2.327 1.00 14.14 O ATOM 0 HA ASP B 27 -9.821 13.472 -0.486 1.00 31.43 H new ATOM 0 HB2 ASP B 27 -11.100 12.053 1.892 1.00 64.20 H new ATOM 0 HB3 ASP B 27 -9.375 12.168 1.607 1.00 64.20 H new ATOM 1443 N ASP B 28 -9.997 11.516 -2.086 1.00 32.44 N ATOM 1444 CA ASP B 28 -9.794 10.333 -2.953 1.00 13.21 C ATOM 1445 C ASP B 28 -8.605 9.474 -2.463 1.00 62.21 C ATOM 1446 O ASP B 28 -8.575 8.253 -2.672 1.00 1.22 O ATOM 1447 CB ASP B 28 -9.560 10.796 -4.408 1.00 51.14 C ATOM 1448 CG ASP B 28 -10.725 11.644 -4.936 1.00 72.04 C ATOM 1449 OD1 ASP B 28 -10.723 12.878 -4.723 1.00 14.12 O ATOM 1450 OD2 ASP B 28 -11.669 11.078 -5.530 1.00 3.44 O ATOM 0 H ASP B 28 -9.776 12.399 -2.547 1.00 32.44 H new ATOM 0 HA ASP B 28 -10.689 9.712 -2.908 1.00 13.21 H new ATOM 0 HB2 ASP B 28 -8.638 11.374 -4.460 1.00 51.14 H new ATOM 0 HB3 ASP B 28 -9.426 9.924 -5.049 1.00 51.14 H new ATOM 1455 N MET B 29 -7.619 10.134 -1.813 1.00 22.45 N ATOM 1456 CA MET B 29 -6.481 9.440 -1.169 1.00 72.42 C ATOM 1457 C MET B 29 -6.968 8.578 0.006 1.00 10.54 C ATOM 1458 O MET B 29 -6.597 7.416 0.115 1.00 23.43 O ATOM 1459 CB MET B 29 -5.401 10.442 -0.672 1.00 22.04 C ATOM 1460 CG MET B 29 -4.862 11.382 -1.765 1.00 73.43 C ATOM 1461 SD MET B 29 -3.197 11.987 -1.430 1.00 61.04 S ATOM 1462 CE MET B 29 -2.285 10.446 -1.492 1.00 34.21 C ATOM 0 H MET B 29 -7.589 11.149 -1.721 1.00 22.45 H new ATOM 0 HA MET B 29 -6.026 8.798 -1.924 1.00 72.42 H new ATOM 0 HB2 MET B 29 -5.823 11.044 0.133 1.00 22.04 H new ATOM 0 HB3 MET B 29 -4.568 9.881 -0.248 1.00 22.04 H new ATOM 0 HG2 MET B 29 -4.865 10.856 -2.720 1.00 73.43 H new ATOM 0 HG3 MET B 29 -5.536 12.232 -1.868 1.00 73.43 H new ATOM 0 HE1 MET B 29 -1.241 10.650 -1.731 1.00 34.21 H new ATOM 0 HE2 MET B 29 -2.345 9.949 -0.524 1.00 34.21 H new ATOM 0 HE3 MET B 29 -2.713 9.800 -2.259 1.00 34.21 H new ATOM 1472 N ASN B 30 -7.828 9.176 0.860 1.00 75.42 N ATOM 1473 CA ASN B 30 -8.423 8.493 2.037 1.00 24.34 C ATOM 1474 C ASN B 30 -9.357 7.331 1.599 1.00 52.42 C ATOM 1475 O ASN B 30 -9.526 6.356 2.331 1.00 64.40 O ATOM 1476 CB ASN B 30 -9.189 9.520 2.917 1.00 62.34 C ATOM 1477 CG ASN B 30 -9.688 8.949 4.253 1.00 3.55 C ATOM 1478 OD1 ASN B 30 -9.058 8.084 4.852 1.00 34.03 O ATOM 1479 ND2 ASN B 30 -10.827 9.418 4.726 1.00 54.51 N ATOM 0 H ASN B 30 -8.131 10.144 0.756 1.00 75.42 H new ATOM 0 HA ASN B 30 -7.616 8.059 2.628 1.00 24.34 H new ATOM 0 HB2 ASN B 30 -8.536 10.369 3.118 1.00 62.34 H new ATOM 0 HB3 ASN B 30 -10.042 9.900 2.355 1.00 62.34 H new ATOM 0 HD21 ASN B 30 -11.199 9.061 5.606 1.00 54.51 H new ATOM 0 HD22 ASN B 30 -11.335 10.138 4.212 1.00 54.51 H new ATOM 1486 N HIS B 31 -9.965 7.472 0.402 1.00 1.54 N ATOM 1487 CA HIS B 31 -10.777 6.410 -0.239 1.00 41.24 C ATOM 1488 C HIS B 31 -9.905 5.164 -0.543 1.00 53.33 C ATOM 1489 O HIS B 31 -10.283 4.023 -0.236 1.00 32.41 O ATOM 1490 CB HIS B 31 -11.408 6.961 -1.547 1.00 74.43 C ATOM 1491 CG HIS B 31 -12.381 6.028 -2.226 1.00 71.44 C ATOM 1492 ND1 HIS B 31 -12.002 5.236 -3.283 1.00 52.15 N ATOM 1493 CD2 HIS B 31 -13.698 5.811 -1.969 1.00 3.55 C ATOM 1494 CE1 HIS B 31 -13.079 4.564 -3.640 1.00 3.15 C ATOM 1495 NE2 HIS B 31 -14.131 4.877 -2.876 1.00 20.33 N ATOM 0 H HIS B 31 -9.908 8.327 -0.151 1.00 1.54 H new ATOM 0 HA HIS B 31 -11.571 6.108 0.444 1.00 41.24 H new ATOM 0 HB2 HIS B 31 -11.921 7.895 -1.320 1.00 74.43 H new ATOM 0 HB3 HIS B 31 -10.607 7.199 -2.247 1.00 74.43 H new ATOM 0 HD2 HIS B 31 -14.290 6.283 -1.199 1.00 3.55 H new ATOM 0 HE1 HIS B 31 -13.108 3.849 -4.449 1.00 3.15 H new ATOM 0 HE2 HIS B 31 -15.074 4.495 -2.953 1.00 20.33 H new ATOM 1503 N CYS B 32 -8.725 5.417 -1.140 1.00 15.14 N ATOM 1504 CA CYS B 32 -7.727 4.373 -1.462 1.00 31.04 C ATOM 1505 C CYS B 32 -7.120 3.751 -0.173 1.00 22.54 C ATOM 1506 O CYS B 32 -6.935 2.534 -0.087 1.00 31.14 O ATOM 1507 CB CYS B 32 -6.618 4.980 -2.352 1.00 23.52 C ATOM 1508 SG CYS B 32 -7.232 5.771 -3.861 1.00 22.10 S ATOM 0 H CYS B 32 -8.433 6.355 -1.415 1.00 15.14 H new ATOM 0 HA CYS B 32 -8.226 3.570 -2.004 1.00 31.04 H new ATOM 0 HB2 CYS B 32 -6.061 5.715 -1.770 1.00 23.52 H new ATOM 0 HB3 CYS B 32 -5.916 4.193 -2.627 1.00 23.52 H new ATOM 0 HG CYS B 32 -7.888 6.849 -3.550 1.00 22.10 H new ATOM 1514 N TYR B 33 -6.847 4.615 0.830 1.00 64.20 N ATOM 1515 CA TYR B 33 -6.346 4.206 2.165 1.00 23.01 C ATOM 1516 C TYR B 33 -7.361 3.307 2.915 1.00 45.45 C ATOM 1517 O TYR B 33 -6.962 2.385 3.632 1.00 55.34 O ATOM 1518 CB TYR B 33 -6.016 5.456 3.038 1.00 74.20 C ATOM 1519 CG TYR B 33 -4.655 6.125 2.753 1.00 23.33 C ATOM 1520 CD1 TYR B 33 -3.485 5.374 2.786 1.00 23.51 C ATOM 1521 CD2 TYR B 33 -4.536 7.497 2.512 1.00 44.14 C ATOM 1522 CE1 TYR B 33 -2.251 5.955 2.597 1.00 12.03 C ATOM 1523 CE2 TYR B 33 -3.302 8.082 2.307 1.00 10.33 C ATOM 1524 CZ TYR B 33 -2.162 7.308 2.353 1.00 65.35 C ATOM 1525 OH TYR B 33 -0.927 7.907 2.174 1.00 11.25 O ATOM 0 H TYR B 33 -6.968 5.623 0.737 1.00 64.20 H new ATOM 0 HA TYR B 33 -5.437 3.628 1.998 1.00 23.01 H new ATOM 0 HB2 TYR B 33 -6.803 6.197 2.893 1.00 74.20 H new ATOM 0 HB3 TYR B 33 -6.044 5.162 4.087 1.00 74.20 H new ATOM 0 HD1 TYR B 33 -3.546 4.310 2.964 1.00 23.51 H new ATOM 0 HD2 TYR B 33 -5.425 8.110 2.486 1.00 44.14 H new ATOM 0 HE1 TYR B 33 -1.356 5.352 2.640 1.00 12.03 H new ATOM 0 HE2 TYR B 33 -3.230 9.142 2.111 1.00 10.33 H new ATOM 0 HH TYR B 33 -0.697 7.905 1.221 1.00 11.25 H new ATOM 1535 N SER B 34 -8.663 3.603 2.747 1.00 23.52 N ATOM 1536 CA SER B 34 -9.758 2.829 3.375 1.00 24.20 C ATOM 1537 C SER B 34 -9.803 1.389 2.822 1.00 73.13 C ATOM 1538 O SER B 34 -10.001 0.440 3.577 1.00 32.45 O ATOM 1539 CB SER B 34 -11.125 3.524 3.159 1.00 40.13 C ATOM 1540 OG SER B 34 -12.182 2.849 3.837 1.00 4.34 O ATOM 0 H SER B 34 -8.988 4.382 2.175 1.00 23.52 H new ATOM 0 HA SER B 34 -9.558 2.784 4.446 1.00 24.20 H new ATOM 0 HB2 SER B 34 -11.068 4.554 3.512 1.00 40.13 H new ATOM 0 HB3 SER B 34 -11.346 3.564 2.092 1.00 40.13 H new ATOM 0 HG SER B 34 -13.027 3.320 3.677 1.00 4.34 H new ATOM 1546 N ARG B 35 -9.599 1.249 1.492 1.00 22.13 N ATOM 1547 CA ARG B 35 -9.556 -0.068 0.825 1.00 21.34 C ATOM 1548 C ARG B 35 -8.259 -0.852 1.175 1.00 52.23 C ATOM 1549 O ARG B 35 -8.268 -2.086 1.197 1.00 1.41 O ATOM 1550 CB ARG B 35 -9.709 0.078 -0.703 1.00 33.15 C ATOM 1551 CG ARG B 35 -10.421 -1.134 -1.332 1.00 22.41 C ATOM 1552 CD ARG B 35 -10.328 -1.150 -2.846 1.00 3.43 C ATOM 1553 NE ARG B 35 -11.104 -2.240 -3.470 1.00 14.52 N ATOM 1554 CZ ARG B 35 -10.913 -3.542 -3.309 1.00 1.22 C ATOM 1555 NH1 ARG B 35 -9.960 -4.021 -2.567 1.00 4.31 N ATOM 1556 NH2 ARG B 35 -11.695 -4.366 -3.922 1.00 61.41 N ATOM 0 H ARG B 35 -9.461 2.037 0.859 1.00 22.13 H new ATOM 0 HA ARG B 35 -10.401 -0.645 1.201 1.00 21.34 H new ATOM 0 HB2 ARG B 35 -10.272 0.984 -0.926 1.00 33.15 H new ATOM 0 HB3 ARG B 35 -8.725 0.195 -1.156 1.00 33.15 H new ATOM 0 HG2 ARG B 35 -9.985 -2.051 -0.936 1.00 22.41 H new ATOM 0 HG3 ARG B 35 -11.470 -1.126 -1.037 1.00 22.41 H new ATOM 0 HD2 ARG B 35 -10.681 -0.195 -3.234 1.00 3.43 H new ATOM 0 HD3 ARG B 35 -9.282 -1.246 -3.137 1.00 3.43 H new ATOM 0 HE ARG B 35 -11.866 -1.963 -4.089 1.00 14.52 H new ATOM 0 HH11 ARG B 35 -9.324 -3.388 -2.082 1.00 4.31 H new ATOM 0 HH12 ARG B 35 -9.848 -5.030 -2.470 1.00 4.31 H new ATOM 0 HH21 ARG B 35 -12.444 -4.012 -4.517 1.00 61.41 H new ATOM 0 HH22 ARG B 35 -11.564 -5.371 -3.811 1.00 61.41 H new ATOM 1570 N LEU B 36 -7.144 -0.120 1.423 1.00 30.14 N ATOM 1571 CA LEU B 36 -5.889 -0.722 1.953 1.00 64.33 C ATOM 1572 C LEU B 36 -6.144 -1.372 3.335 1.00 11.53 C ATOM 1573 O LEU B 36 -5.778 -2.513 3.555 1.00 62.40 O ATOM 1574 CB LEU B 36 -4.751 0.336 2.058 1.00 73.32 C ATOM 1575 CG LEU B 36 -4.169 0.870 0.708 1.00 11.14 C ATOM 1576 CD1 LEU B 36 -3.113 1.973 0.951 1.00 22.02 C ATOM 1577 CD2 LEU B 36 -3.583 -0.282 -0.148 1.00 51.45 C ATOM 0 H LEU B 36 -7.086 0.886 1.266 1.00 30.14 H new ATOM 0 HA LEU B 36 -5.568 -1.492 1.252 1.00 64.33 H new ATOM 0 HB2 LEU B 36 -5.127 1.186 2.628 1.00 73.32 H new ATOM 0 HB3 LEU B 36 -3.934 -0.098 2.634 1.00 73.32 H new ATOM 0 HG LEU B 36 -4.992 1.314 0.148 1.00 11.14 H new ATOM 0 HD11 LEU B 36 -2.727 2.324 -0.006 1.00 22.02 H new ATOM 0 HD12 LEU B 36 -3.572 2.805 1.484 1.00 22.02 H new ATOM 0 HD13 LEU B 36 -2.294 1.568 1.546 1.00 22.02 H new ATOM 0 HD21 LEU B 36 -3.187 0.122 -1.079 1.00 51.45 H new ATOM 0 HD22 LEU B 36 -2.782 -0.774 0.404 1.00 51.45 H new ATOM 0 HD23 LEU B 36 -4.368 -1.005 -0.371 1.00 51.45 H new ATOM 1589 N ARG B 37 -6.828 -0.629 4.228 1.00 11.52 N ATOM 1590 CA ARG B 37 -7.241 -1.118 5.576 1.00 13.33 C ATOM 1591 C ARG B 37 -8.034 -2.452 5.525 1.00 15.34 C ATOM 1592 O ARG B 37 -8.007 -3.239 6.474 1.00 22.11 O ATOM 1593 CB ARG B 37 -8.080 -0.037 6.282 1.00 51.51 C ATOM 1594 CG ARG B 37 -7.266 1.192 6.727 1.00 43.00 C ATOM 1595 CD ARG B 37 -8.163 2.321 7.241 1.00 73.23 C ATOM 1596 NE ARG B 37 -9.102 1.865 8.296 1.00 44.52 N ATOM 1597 CZ ARG B 37 -10.421 1.928 8.243 1.00 25.32 C ATOM 1598 NH1 ARG B 37 -11.046 2.410 7.211 1.00 4.12 N ATOM 1599 NH2 ARG B 37 -11.115 1.494 9.245 1.00 20.22 N ATOM 0 H ARG B 37 -7.115 0.332 4.042 1.00 11.52 H new ATOM 0 HA ARG B 37 -6.328 -1.318 6.136 1.00 13.33 H new ATOM 0 HB2 ARG B 37 -8.874 0.289 5.610 1.00 51.51 H new ATOM 0 HB3 ARG B 37 -8.562 -0.477 7.155 1.00 51.51 H new ATOM 0 HG2 ARG B 37 -6.567 0.899 7.511 1.00 43.00 H new ATOM 0 HG3 ARG B 37 -6.671 1.555 5.889 1.00 43.00 H new ATOM 0 HD2 ARG B 37 -7.541 3.124 7.635 1.00 73.23 H new ATOM 0 HD3 ARG B 37 -8.731 2.737 6.409 1.00 73.23 H new ATOM 0 HE ARG B 37 -8.691 1.466 9.140 1.00 44.52 H new ATOM 0 HH11 ARG B 37 -10.517 2.754 6.410 1.00 4.12 H new ATOM 0 HH12 ARG B 37 -12.065 2.444 7.202 1.00 4.12 H new ATOM 0 HH21 ARG B 37 -10.643 1.109 10.063 1.00 20.22 H new ATOM 0 HH22 ARG B 37 -12.134 1.537 9.217 1.00 20.22 H new ATOM 1613 N GLU B 38 -8.721 -2.683 4.394 1.00 2.35 N ATOM 1614 CA GLU B 38 -9.545 -3.893 4.160 1.00 15.22 C ATOM 1615 C GLU B 38 -8.665 -5.054 3.637 1.00 40.44 C ATOM 1616 O GLU B 38 -8.879 -6.222 3.978 1.00 30.54 O ATOM 1617 CB GLU B 38 -10.676 -3.573 3.136 1.00 14.31 C ATOM 1618 CG GLU B 38 -11.590 -2.383 3.504 1.00 75.11 C ATOM 1619 CD GLU B 38 -12.317 -2.538 4.853 1.00 31.43 C ATOM 1620 OE1 GLU B 38 -13.329 -3.273 4.918 1.00 3.13 O ATOM 1621 OE2 GLU B 38 -11.889 -1.924 5.859 1.00 20.30 O ATOM 0 H GLU B 38 -8.724 -2.034 3.607 1.00 2.35 H new ATOM 0 HA GLU B 38 -9.995 -4.199 5.104 1.00 15.22 H new ATOM 0 HB2 GLU B 38 -10.219 -3.371 2.167 1.00 14.31 H new ATOM 0 HB3 GLU B 38 -11.296 -4.461 3.017 1.00 14.31 H new ATOM 0 HG2 GLU B 38 -10.990 -1.473 3.530 1.00 75.11 H new ATOM 0 HG3 GLU B 38 -12.333 -2.253 2.717 1.00 75.11 H new ATOM 1628 N LEU B 39 -7.670 -4.695 2.806 1.00 33.35 N ATOM 1629 CA LEU B 39 -6.735 -5.651 2.169 1.00 21.15 C ATOM 1630 C LEU B 39 -5.528 -6.016 3.068 1.00 43.21 C ATOM 1631 O LEU B 39 -4.736 -6.893 2.709 1.00 14.43 O ATOM 1632 CB LEU B 39 -6.239 -5.073 0.818 1.00 34.35 C ATOM 1633 CG LEU B 39 -7.303 -4.989 -0.317 1.00 45.52 C ATOM 1634 CD1 LEU B 39 -6.711 -4.338 -1.585 1.00 30.30 C ATOM 1635 CD2 LEU B 39 -7.894 -6.389 -0.629 1.00 2.43 C ATOM 0 H LEU B 39 -7.487 -3.724 2.553 1.00 33.35 H new ATOM 0 HA LEU B 39 -7.288 -6.576 2.004 1.00 21.15 H new ATOM 0 HB2 LEU B 39 -5.845 -4.072 0.996 1.00 34.35 H new ATOM 0 HB3 LEU B 39 -5.408 -5.685 0.466 1.00 34.35 H new ATOM 0 HG LEU B 39 -8.117 -4.354 0.032 1.00 45.52 H new ATOM 0 HD11 LEU B 39 -7.475 -4.292 -2.361 1.00 30.30 H new ATOM 0 HD12 LEU B 39 -6.370 -3.329 -1.351 1.00 30.30 H new ATOM 0 HD13 LEU B 39 -5.869 -4.932 -1.940 1.00 30.30 H new ATOM 0 HD21 LEU B 39 -8.634 -6.302 -1.425 1.00 2.43 H new ATOM 0 HD22 LEU B 39 -7.095 -7.058 -0.948 1.00 2.43 H new ATOM 0 HD23 LEU B 39 -8.369 -6.791 0.266 1.00 2.43 H new ATOM 1647 N VAL B 40 -5.389 -5.339 4.221 1.00 71.53 N ATOM 1648 CA VAL B 40 -4.302 -5.613 5.194 1.00 53.34 C ATOM 1649 C VAL B 40 -4.871 -6.215 6.515 1.00 32.13 C ATOM 1650 O VAL B 40 -5.338 -5.472 7.382 1.00 54.41 O ATOM 1651 CB VAL B 40 -3.466 -4.302 5.507 1.00 24.03 C ATOM 1652 CG1 VAL B 40 -2.278 -4.584 6.460 1.00 35.03 C ATOM 1653 CG2 VAL B 40 -2.976 -3.630 4.200 1.00 0.52 C ATOM 0 H VAL B 40 -6.019 -4.590 4.509 1.00 71.53 H new ATOM 0 HA VAL B 40 -3.635 -6.345 4.739 1.00 53.34 H new ATOM 0 HB VAL B 40 -4.135 -3.610 6.019 1.00 24.03 H new ATOM 0 HG11 VAL B 40 -1.734 -3.658 6.647 1.00 35.03 H new ATOM 0 HG12 VAL B 40 -2.654 -4.980 7.403 1.00 35.03 H new ATOM 0 HG13 VAL B 40 -1.609 -5.312 6.002 1.00 35.03 H new ATOM 0 HG21 VAL B 40 -2.406 -2.734 4.443 1.00 0.52 H new ATOM 0 HG22 VAL B 40 -2.342 -4.325 3.649 1.00 0.52 H new ATOM 0 HG23 VAL B 40 -3.835 -3.358 3.587 1.00 0.52 H new ATOM 1663 N PRO B 41 -4.890 -7.585 6.670 1.00 31.41 N ATOM 1664 CA PRO B 41 -5.218 -8.251 7.971 1.00 34.01 C ATOM 1665 C PRO B 41 -4.169 -7.987 9.092 1.00 70.24 C ATOM 1666 O PRO B 41 -4.394 -8.346 10.250 1.00 12.43 O ATOM 1667 CB PRO B 41 -5.282 -9.762 7.598 1.00 24.22 C ATOM 1668 CG PRO B 41 -4.445 -9.877 6.361 1.00 24.23 C ATOM 1669 CD PRO B 41 -4.678 -8.592 5.593 1.00 72.52 C ATOM 0 HA PRO B 41 -6.145 -7.863 8.394 1.00 34.01 H new ATOM 0 HB2 PRO B 41 -4.891 -10.386 8.401 1.00 24.22 H new ATOM 0 HB3 PRO B 41 -6.307 -10.083 7.415 1.00 24.22 H new ATOM 0 HG2 PRO B 41 -3.391 -9.999 6.610 1.00 24.23 H new ATOM 0 HG3 PRO B 41 -4.736 -10.746 5.770 1.00 24.23 H new ATOM 0 HD2 PRO B 41 -3.824 -8.337 4.966 1.00 72.52 H new ATOM 0 HD3 PRO B 41 -5.544 -8.667 4.936 1.00 72.52 H new ATOM 1677 N GLY B 42 -3.030 -7.353 8.735 1.00 24.55 N ATOM 1678 CA GLY B 42 -2.001 -6.945 9.709 1.00 44.52 C ATOM 1679 C GLY B 42 -2.359 -5.694 10.533 1.00 1.31 C ATOM 1680 O GLY B 42 -1.512 -5.174 11.267 1.00 55.13 O ATOM 0 H GLY B 42 -2.802 -7.113 7.770 1.00 24.55 H new ATOM 0 HA2 GLY B 42 -1.817 -7.774 10.393 1.00 44.52 H new ATOM 0 HA3 GLY B 42 -1.069 -6.759 9.176 1.00 44.52 H new ATOM 1684 N VAL B 43 -3.607 -5.194 10.396 1.00 62.35 N ATOM 1685 CA VAL B 43 -4.155 -4.120 11.260 1.00 65.40 C ATOM 1686 C VAL B 43 -4.632 -4.716 12.625 1.00 61.14 C ATOM 1687 O VAL B 43 -5.544 -5.559 12.636 1.00 10.44 O ATOM 1688 CB VAL B 43 -5.351 -3.367 10.546 1.00 24.34 C ATOM 1689 CG1 VAL B 43 -5.963 -2.267 11.447 1.00 64.03 C ATOM 1690 CG2 VAL B 43 -4.903 -2.780 9.179 1.00 23.33 C ATOM 0 H VAL B 43 -4.262 -5.521 9.686 1.00 62.35 H new ATOM 0 HA VAL B 43 -3.361 -3.396 11.445 1.00 65.40 H new ATOM 0 HB VAL B 43 -6.132 -4.105 10.362 1.00 24.34 H new ATOM 0 HG11 VAL B 43 -6.780 -1.776 10.918 1.00 64.03 H new ATOM 0 HG12 VAL B 43 -6.343 -2.718 12.364 1.00 64.03 H new ATOM 0 HG13 VAL B 43 -5.197 -1.532 11.695 1.00 64.03 H new ATOM 0 HG21 VAL B 43 -5.743 -2.268 8.710 1.00 23.33 H new ATOM 0 HG22 VAL B 43 -4.089 -2.072 9.336 1.00 23.33 H new ATOM 0 HG23 VAL B 43 -4.562 -3.587 8.531 1.00 23.33 H new ATOM 1700 N PRO B 44 -4.015 -4.312 13.794 1.00 4.03 N ATOM 1701 CA PRO B 44 -4.392 -4.832 15.149 1.00 20.41 C ATOM 1702 C PRO B 44 -5.835 -4.453 15.592 1.00 71.31 C ATOM 1703 O PRO B 44 -6.517 -3.659 14.925 1.00 23.21 O ATOM 1704 CB PRO B 44 -3.334 -4.180 16.098 1.00 51.13 C ATOM 1705 CG PRO B 44 -2.219 -3.749 15.192 1.00 1.21 C ATOM 1706 CD PRO B 44 -2.892 -3.347 13.900 1.00 42.34 C ATOM 0 HA PRO B 44 -4.393 -5.922 15.162 1.00 20.41 H new ATOM 0 HB2 PRO B 44 -3.756 -3.332 16.637 1.00 51.13 H new ATOM 0 HB3 PRO B 44 -2.983 -4.891 16.846 1.00 51.13 H new ATOM 0 HG2 PRO B 44 -1.662 -2.916 15.622 1.00 1.21 H new ATOM 0 HG3 PRO B 44 -1.508 -4.559 15.030 1.00 1.21 H new ATOM 0 HD2 PRO B 44 -3.247 -2.317 13.933 1.00 42.34 H new ATOM 0 HD3 PRO B 44 -2.213 -3.423 13.051 1.00 42.34 H new ATOM 1714 N ARG B 45 -6.278 -5.029 16.736 1.00 51.15 N ATOM 1715 CA ARG B 45 -7.615 -4.753 17.324 1.00 43.14 C ATOM 1716 C ARG B 45 -7.651 -3.323 17.926 1.00 54.35 C ATOM 1717 O ARG B 45 -7.386 -3.123 19.117 1.00 24.22 O ATOM 1718 CB ARG B 45 -7.970 -5.826 18.409 1.00 14.52 C ATOM 1719 CG ARG B 45 -9.427 -5.766 18.936 1.00 10.13 C ATOM 1720 CD ARG B 45 -10.460 -6.155 17.860 1.00 55.44 C ATOM 1721 NE ARG B 45 -10.264 -7.542 17.392 1.00 23.32 N ATOM 1722 CZ ARG B 45 -10.718 -8.050 16.270 1.00 31.24 C ATOM 1723 NH1 ARG B 45 -11.393 -7.338 15.421 1.00 1.11 N ATOM 1724 NH2 ARG B 45 -10.486 -9.287 15.998 1.00 71.35 N ATOM 0 H ARG B 45 -5.724 -5.694 17.275 1.00 51.15 H new ATOM 0 HA ARG B 45 -8.364 -4.812 16.534 1.00 43.14 H new ATOM 0 HB2 ARG B 45 -7.791 -6.817 17.991 1.00 14.52 H new ATOM 0 HB3 ARG B 45 -7.289 -5.708 19.252 1.00 14.52 H new ATOM 0 HG2 ARG B 45 -9.529 -6.434 19.791 1.00 10.13 H new ATOM 0 HG3 ARG B 45 -9.640 -4.758 19.292 1.00 10.13 H new ATOM 0 HD2 ARG B 45 -11.466 -6.046 18.265 1.00 55.44 H new ATOM 0 HD3 ARG B 45 -10.381 -5.471 17.015 1.00 55.44 H new ATOM 0 HE ARG B 45 -9.726 -8.163 17.997 1.00 23.32 H new ATOM 0 HH11 ARG B 45 -11.584 -6.355 15.617 1.00 1.11 H new ATOM 0 HH12 ARG B 45 -11.733 -7.761 14.557 1.00 1.11 H new ATOM 0 HH21 ARG B 45 -9.954 -9.862 16.652 1.00 71.35 H new ATOM 0 HH22 ARG B 45 -10.834 -9.692 15.129 1.00 71.35 H new ATOM 1738 N GLY B 46 -7.934 -2.328 17.066 1.00 53.03 N ATOM 1739 CA GLY B 46 -7.854 -0.908 17.447 1.00 32.41 C ATOM 1740 C GLY B 46 -6.419 -0.367 17.377 1.00 63.14 C ATOM 1741 O GLY B 46 -5.517 -0.900 18.035 1.00 4.23 O ATOM 0 H GLY B 46 -8.221 -2.483 16.100 1.00 53.03 H new ATOM 0 HA2 GLY B 46 -8.494 -0.321 16.789 1.00 32.41 H new ATOM 0 HA3 GLY B 46 -8.238 -0.783 18.459 1.00 32.41 H new ATOM 1745 N THR B 47 -6.208 0.692 16.580 1.00 13.03 N ATOM 1746 CA THR B 47 -4.865 1.292 16.350 1.00 24.30 C ATOM 1747 C THR B 47 -4.991 2.741 15.807 1.00 2.01 C ATOM 1748 O THR B 47 -6.103 3.217 15.548 1.00 21.34 O ATOM 1749 CB THR B 47 -4.010 0.407 15.363 1.00 72.54 C ATOM 1750 OG1 THR B 47 -2.713 0.992 15.127 1.00 71.20 O ATOM 1751 CG2 THR B 47 -4.721 0.186 14.016 1.00 20.20 C ATOM 0 H THR B 47 -6.957 1.163 16.073 1.00 13.03 H new ATOM 0 HA THR B 47 -4.349 1.328 17.310 1.00 24.30 H new ATOM 0 HB THR B 47 -3.887 -0.561 15.849 1.00 72.54 H new ATOM 0 HG1 THR B 47 -2.204 0.422 14.513 1.00 71.20 H new ATOM 0 HG21 THR B 47 -4.094 -0.429 13.370 1.00 20.20 H new ATOM 0 HG22 THR B 47 -5.672 -0.319 14.185 1.00 20.20 H new ATOM 0 HG23 THR B 47 -4.901 1.149 13.537 1.00 20.20 H new ATOM 1759 N GLN B 48 -3.849 3.435 15.650 1.00 43.22 N ATOM 1760 CA GLN B 48 -3.793 4.819 15.121 1.00 74.44 C ATOM 1761 C GLN B 48 -3.109 4.852 13.723 1.00 55.24 C ATOM 1762 O GLN B 48 -1.884 4.970 13.594 1.00 62.53 O ATOM 1763 CB GLN B 48 -3.086 5.760 16.151 1.00 71.42 C ATOM 1764 CG GLN B 48 -1.713 5.252 16.665 1.00 43.11 C ATOM 1765 CD GLN B 48 -1.001 6.221 17.622 1.00 64.44 C ATOM 1766 OE1 GLN B 48 -1.168 7.429 17.545 1.00 22.40 O ATOM 1767 NE2 GLN B 48 -0.176 5.698 18.503 1.00 42.44 N ATOM 0 H GLN B 48 -2.933 3.054 15.886 1.00 43.22 H new ATOM 0 HA GLN B 48 -4.809 5.189 14.981 1.00 74.44 H new ATOM 0 HB2 GLN B 48 -2.946 6.738 15.691 1.00 71.42 H new ATOM 0 HB3 GLN B 48 -3.748 5.902 17.006 1.00 71.42 H new ATOM 0 HG2 GLN B 48 -1.858 4.298 17.173 1.00 43.11 H new ATOM 0 HG3 GLN B 48 -1.065 5.062 15.809 1.00 43.11 H new ATOM 0 HE21 GLN B 48 -0.053 4.686 18.549 1.00 42.44 H new ATOM 0 HE22 GLN B 48 0.341 6.304 19.140 1.00 42.44 H new ATOM 1776 N LEU B 49 -3.924 4.705 12.667 1.00 63.04 N ATOM 1777 CA LEU B 49 -3.463 4.742 11.261 1.00 71.40 C ATOM 1778 C LEU B 49 -3.865 6.079 10.599 1.00 3.01 C ATOM 1779 O LEU B 49 -5.030 6.264 10.226 1.00 34.42 O ATOM 1780 CB LEU B 49 -4.056 3.542 10.460 1.00 43.22 C ATOM 1781 CG LEU B 49 -3.680 2.113 10.970 1.00 4.55 C ATOM 1782 CD1 LEU B 49 -4.315 1.018 10.078 1.00 41.23 C ATOM 1783 CD2 LEU B 49 -2.147 1.927 11.078 1.00 35.04 C ATOM 0 H LEU B 49 -4.929 4.556 12.760 1.00 63.04 H new ATOM 0 HA LEU B 49 -2.376 4.661 11.252 1.00 71.40 H new ATOM 0 HB2 LEU B 49 -5.142 3.632 10.464 1.00 43.22 H new ATOM 0 HB3 LEU B 49 -3.733 3.631 9.423 1.00 43.22 H new ATOM 0 HG LEU B 49 -4.090 2.008 11.975 1.00 4.55 H new ATOM 0 HD11 LEU B 49 -4.037 0.034 10.456 1.00 41.23 H new ATOM 0 HD12 LEU B 49 -5.400 1.119 10.094 1.00 41.23 H new ATOM 0 HD13 LEU B 49 -3.956 1.129 9.055 1.00 41.23 H new ATOM 0 HD21 LEU B 49 -1.927 0.921 11.436 1.00 35.04 H new ATOM 0 HD22 LEU B 49 -1.693 2.071 10.098 1.00 35.04 H new ATOM 0 HD23 LEU B 49 -1.740 2.658 11.777 1.00 35.04 H new ATOM 1795 N SER B 50 -2.903 7.021 10.499 1.00 53.51 N ATOM 1796 CA SER B 50 -3.129 8.324 9.830 1.00 33.35 C ATOM 1797 C SER B 50 -2.960 8.191 8.294 1.00 14.32 C ATOM 1798 O SER B 50 -3.951 8.053 7.568 1.00 43.14 O ATOM 1799 CB SER B 50 -2.186 9.404 10.415 1.00 5.40 C ATOM 1800 OG SER B 50 -2.362 9.537 11.814 1.00 63.11 O ATOM 0 H SER B 50 -1.961 6.905 10.873 1.00 53.51 H new ATOM 0 HA SER B 50 -4.155 8.639 10.020 1.00 33.35 H new ATOM 0 HB2 SER B 50 -1.150 9.141 10.200 1.00 5.40 H new ATOM 0 HB3 SER B 50 -2.379 10.360 9.929 1.00 5.40 H new ATOM 0 HG SER B 50 -1.753 10.224 12.156 1.00 63.11 H new ATOM 1806 N GLN B 51 -1.697 8.208 7.806 1.00 31.40 N ATOM 1807 CA GLN B 51 -1.377 8.026 6.363 1.00 34.33 C ATOM 1808 C GLN B 51 -0.071 7.232 6.200 1.00 52.11 C ATOM 1809 O GLN B 51 -0.053 6.184 5.544 1.00 63.51 O ATOM 1810 CB GLN B 51 -1.255 9.393 5.619 1.00 70.13 C ATOM 1811 CG GLN B 51 -2.589 10.118 5.338 1.00 43.31 C ATOM 1812 CD GLN B 51 -2.409 11.434 4.574 1.00 71.01 C ATOM 1813 OE1 GLN B 51 -2.296 12.501 5.165 1.00 55.42 O ATOM 1814 NE2 GLN B 51 -2.334 11.360 3.256 1.00 24.32 N ATOM 0 H GLN B 51 -0.875 8.347 8.393 1.00 31.40 H new ATOM 0 HA GLN B 51 -2.201 7.470 5.916 1.00 34.33 H new ATOM 0 HB2 GLN B 51 -0.620 10.053 6.210 1.00 70.13 H new ATOM 0 HB3 GLN B 51 -0.745 9.226 4.670 1.00 70.13 H new ATOM 0 HG2 GLN B 51 -3.240 9.458 4.765 1.00 43.31 H new ATOM 0 HG3 GLN B 51 -3.092 10.320 6.284 1.00 43.31 H new ATOM 0 HE21 GLN B 51 -2.432 10.458 2.789 1.00 24.32 H new ATOM 0 HE22 GLN B 51 -2.178 12.205 2.706 1.00 24.32 H new ATOM 1823 N VAL B 52 1.020 7.743 6.819 1.00 43.04 N ATOM 1824 CA VAL B 52 2.360 7.102 6.762 1.00 71.35 C ATOM 1825 C VAL B 52 2.331 5.729 7.476 1.00 62.31 C ATOM 1826 O VAL B 52 2.957 4.778 7.015 1.00 43.14 O ATOM 1827 CB VAL B 52 3.491 8.009 7.397 1.00 12.43 C ATOM 1828 CG1 VAL B 52 4.906 7.454 7.088 1.00 34.10 C ATOM 1829 CG2 VAL B 52 3.370 9.481 6.934 1.00 14.14 C ATOM 0 H VAL B 52 0.999 8.603 7.367 1.00 43.04 H new ATOM 0 HA VAL B 52 2.601 6.965 5.708 1.00 71.35 H new ATOM 0 HB VAL B 52 3.347 7.985 8.477 1.00 12.43 H new ATOM 0 HG11 VAL B 52 5.657 8.102 7.539 1.00 34.10 H new ATOM 0 HG12 VAL B 52 5.000 6.449 7.498 1.00 34.10 H new ATOM 0 HG13 VAL B 52 5.056 7.421 6.009 1.00 34.10 H new ATOM 0 HG21 VAL B 52 4.163 10.072 7.391 1.00 14.14 H new ATOM 0 HG22 VAL B 52 3.460 9.530 5.849 1.00 14.14 H new ATOM 0 HG23 VAL B 52 2.401 9.879 7.236 1.00 14.14 H new ATOM 1839 N GLU B 53 1.561 5.648 8.589 1.00 21.31 N ATOM 1840 CA GLU B 53 1.351 4.391 9.360 1.00 11.00 C ATOM 1841 C GLU B 53 0.770 3.271 8.469 1.00 54.03 C ATOM 1842 O GLU B 53 1.157 2.109 8.578 1.00 22.04 O ATOM 1843 CB GLU B 53 0.384 4.627 10.560 1.00 65.11 C ATOM 1844 CG GLU B 53 0.725 5.817 11.477 1.00 74.04 C ATOM 1845 CD GLU B 53 2.192 5.843 11.932 1.00 24.34 C ATOM 1846 OE1 GLU B 53 2.594 4.970 12.730 1.00 41.13 O ATOM 1847 OE2 GLU B 53 2.948 6.735 11.485 1.00 11.32 O ATOM 0 H GLU B 53 1.067 6.450 8.980 1.00 21.31 H new ATOM 0 HA GLU B 53 2.328 4.082 9.731 1.00 11.00 H new ATOM 0 HB2 GLU B 53 -0.622 4.773 10.167 1.00 65.11 H new ATOM 0 HB3 GLU B 53 0.361 3.721 11.166 1.00 65.11 H new ATOM 0 HG2 GLU B 53 0.500 6.745 10.952 1.00 74.04 H new ATOM 0 HG3 GLU B 53 0.081 5.784 12.356 1.00 74.04 H new ATOM 1854 N ILE B 54 -0.179 3.662 7.599 1.00 1.41 N ATOM 1855 CA ILE B 54 -0.814 2.760 6.626 1.00 45.41 C ATOM 1856 C ILE B 54 0.222 2.265 5.593 1.00 1.44 C ATOM 1857 O ILE B 54 0.331 1.072 5.363 1.00 45.04 O ATOM 1858 CB ILE B 54 -2.020 3.469 5.896 1.00 52.32 C ATOM 1859 CG1 ILE B 54 -3.080 3.955 6.943 1.00 31.02 C ATOM 1860 CG2 ILE B 54 -2.669 2.547 4.823 1.00 34.22 C ATOM 1861 CD1 ILE B 54 -4.260 4.729 6.372 1.00 44.30 C ATOM 0 H ILE B 54 -0.528 4.619 7.553 1.00 1.41 H new ATOM 0 HA ILE B 54 -1.206 1.901 7.170 1.00 45.41 H new ATOM 0 HB ILE B 54 -1.628 4.340 5.371 1.00 52.32 H new ATOM 0 HG12 ILE B 54 -3.463 3.085 7.477 1.00 31.02 H new ATOM 0 HG13 ILE B 54 -2.577 4.584 7.678 1.00 31.02 H new ATOM 0 HG21 ILE B 54 -3.495 3.072 4.344 1.00 34.22 H new ATOM 0 HG22 ILE B 54 -1.924 2.281 4.073 1.00 34.22 H new ATOM 0 HG23 ILE B 54 -3.043 1.641 5.300 1.00 34.22 H new ATOM 0 HD11 ILE B 54 -4.932 5.017 7.181 1.00 44.30 H new ATOM 0 HD12 ILE B 54 -3.898 5.623 5.865 1.00 44.30 H new ATOM 0 HD13 ILE B 54 -4.797 4.101 5.661 1.00 44.30 H new ATOM 1873 N LEU B 55 1.001 3.207 5.019 1.00 33.12 N ATOM 1874 CA LEU B 55 2.036 2.900 3.997 1.00 20.12 C ATOM 1875 C LEU B 55 3.079 1.874 4.513 1.00 20.32 C ATOM 1876 O LEU B 55 3.346 0.871 3.857 1.00 73.32 O ATOM 1877 CB LEU B 55 2.758 4.208 3.576 1.00 51.33 C ATOM 1878 CG LEU B 55 1.869 5.331 2.954 1.00 41.20 C ATOM 1879 CD1 LEU B 55 2.699 6.605 2.664 1.00 30.04 C ATOM 1880 CD2 LEU B 55 1.148 4.830 1.685 1.00 41.30 C ATOM 0 H LEU B 55 0.934 4.199 5.247 1.00 33.12 H new ATOM 0 HA LEU B 55 1.531 2.456 3.139 1.00 20.12 H new ATOM 0 HB2 LEU B 55 3.259 4.617 4.453 1.00 51.33 H new ATOM 0 HB3 LEU B 55 3.535 3.951 2.856 1.00 51.33 H new ATOM 0 HG LEU B 55 1.105 5.595 3.685 1.00 41.20 H new ATOM 0 HD11 LEU B 55 2.053 7.369 2.231 1.00 30.04 H new ATOM 0 HD12 LEU B 55 3.130 6.978 3.593 1.00 30.04 H new ATOM 0 HD13 LEU B 55 3.499 6.366 1.963 1.00 30.04 H new ATOM 0 HD21 LEU B 55 0.536 5.633 1.273 1.00 41.30 H new ATOM 0 HD22 LEU B 55 1.886 4.520 0.945 1.00 41.30 H new ATOM 0 HD23 LEU B 55 0.511 3.982 1.939 1.00 41.30 H new ATOM 1892 N GLN B 56 3.615 2.144 5.715 1.00 53.42 N ATOM 1893 CA GLN B 56 4.615 1.290 6.396 1.00 52.14 C ATOM 1894 C GLN B 56 4.043 -0.115 6.726 1.00 23.32 C ATOM 1895 O GLN B 56 4.743 -1.123 6.608 1.00 11.43 O ATOM 1896 CB GLN B 56 5.087 1.997 7.701 1.00 74.43 C ATOM 1897 CG GLN B 56 5.798 3.357 7.478 1.00 44.33 C ATOM 1898 CD GLN B 56 5.984 4.184 8.761 1.00 51.54 C ATOM 1899 OE1 GLN B 56 5.180 4.116 9.684 1.00 73.50 O ATOM 1900 NE2 GLN B 56 7.033 4.984 8.825 1.00 40.14 N ATOM 0 H GLN B 56 3.365 2.974 6.253 1.00 53.42 H new ATOM 0 HA GLN B 56 5.460 1.147 5.722 1.00 52.14 H new ATOM 0 HB2 GLN B 56 4.223 2.155 8.346 1.00 74.43 H new ATOM 0 HB3 GLN B 56 5.765 1.331 8.235 1.00 74.43 H new ATOM 0 HG2 GLN B 56 6.775 3.175 7.030 1.00 44.33 H new ATOM 0 HG3 GLN B 56 5.223 3.943 6.761 1.00 44.33 H new ATOM 0 HE21 GLN B 56 7.690 5.026 8.046 1.00 40.14 H new ATOM 0 HE22 GLN B 56 7.186 5.560 9.653 1.00 40.14 H new ATOM 1909 N ARG B 57 2.756 -0.151 7.131 1.00 74.02 N ATOM 1910 CA ARG B 57 2.047 -1.409 7.485 1.00 5.21 C ATOM 1911 C ARG B 57 1.747 -2.268 6.231 1.00 61.13 C ATOM 1912 O ARG B 57 1.766 -3.503 6.301 1.00 52.11 O ATOM 1913 CB ARG B 57 0.745 -1.079 8.268 1.00 34.23 C ATOM 1914 CG ARG B 57 0.003 -2.307 8.855 1.00 41.44 C ATOM 1915 CD ARG B 57 -1.117 -1.918 9.844 1.00 34.25 C ATOM 1916 NE ARG B 57 -0.600 -1.138 10.990 1.00 3.31 N ATOM 1917 CZ ARG B 57 -0.130 -1.637 12.118 1.00 11.45 C ATOM 1918 NH1 ARG B 57 -0.006 -2.918 12.301 1.00 54.22 N ATOM 1919 NH2 ARG B 57 0.252 -0.840 13.060 1.00 60.41 N ATOM 0 H ARG B 57 2.178 0.684 7.223 1.00 74.02 H new ATOM 0 HA ARG B 57 2.700 -2.002 8.125 1.00 5.21 H new ATOM 0 HB2 ARG B 57 0.992 -0.399 9.083 1.00 34.23 H new ATOM 0 HB3 ARG B 57 0.065 -0.546 7.604 1.00 34.23 H new ATOM 0 HG2 ARG B 57 -0.426 -2.890 8.040 1.00 41.44 H new ATOM 0 HG3 ARG B 57 0.722 -2.950 9.363 1.00 41.44 H new ATOM 0 HD2 ARG B 57 -1.875 -1.335 9.321 1.00 34.25 H new ATOM 0 HD3 ARG B 57 -1.606 -2.820 10.211 1.00 34.25 H new ATOM 0 HE ARG B 57 -0.607 -0.122 10.900 1.00 3.31 H new ATOM 0 HH11 ARG B 57 -0.275 -3.567 11.562 1.00 54.22 H new ATOM 0 HH12 ARG B 57 0.360 -3.274 13.184 1.00 54.22 H new ATOM 0 HH21 ARG B 57 0.190 0.170 12.930 1.00 60.41 H new ATOM 0 HH22 ARG B 57 0.616 -1.220 13.934 1.00 60.41 H new ATOM 1933 N VAL B 58 1.482 -1.600 5.093 1.00 21.42 N ATOM 1934 CA VAL B 58 1.299 -2.273 3.788 1.00 1.14 C ATOM 1935 C VAL B 58 2.631 -2.909 3.315 1.00 51.41 C ATOM 1936 O VAL B 58 2.645 -4.064 2.898 1.00 21.12 O ATOM 1937 CB VAL B 58 0.742 -1.285 2.683 1.00 62.00 C ATOM 1938 CG1 VAL B 58 0.750 -1.935 1.280 1.00 5.51 C ATOM 1939 CG2 VAL B 58 -0.685 -0.792 3.038 1.00 42.00 C ATOM 0 H VAL B 58 1.389 -0.585 5.049 1.00 21.42 H new ATOM 0 HA VAL B 58 0.557 -3.059 3.930 1.00 1.14 H new ATOM 0 HB VAL B 58 1.410 -0.424 2.660 1.00 62.00 H new ATOM 0 HG11 VAL B 58 0.361 -1.227 0.549 1.00 5.51 H new ATOM 0 HG12 VAL B 58 1.770 -2.210 1.012 1.00 5.51 H new ATOM 0 HG13 VAL B 58 0.124 -2.828 1.289 1.00 5.51 H new ATOM 0 HG21 VAL B 58 -1.040 -0.115 2.261 1.00 42.00 H new ATOM 0 HG22 VAL B 58 -1.358 -1.647 3.110 1.00 42.00 H new ATOM 0 HG23 VAL B 58 -0.661 -0.267 3.993 1.00 42.00 H new ATOM 1949 N ILE B 59 3.741 -2.147 3.404 1.00 24.42 N ATOM 1950 CA ILE B 59 5.093 -2.640 3.036 1.00 11.34 C ATOM 1951 C ILE B 59 5.477 -3.872 3.893 1.00 41.53 C ATOM 1952 O ILE B 59 5.883 -4.896 3.356 1.00 22.55 O ATOM 1953 CB ILE B 59 6.182 -1.512 3.194 1.00 73.44 C ATOM 1954 CG1 ILE B 59 5.852 -0.289 2.279 1.00 52.43 C ATOM 1955 CG2 ILE B 59 7.609 -2.044 2.891 1.00 40.24 C ATOM 1956 CD1 ILE B 59 6.763 0.910 2.470 1.00 35.14 C ATOM 0 H ILE B 59 3.731 -1.180 3.730 1.00 24.42 H new ATOM 0 HA ILE B 59 5.060 -2.934 1.987 1.00 11.34 H new ATOM 0 HB ILE B 59 6.162 -1.186 4.234 1.00 73.44 H new ATOM 0 HG12 ILE B 59 5.906 -0.607 1.238 1.00 52.43 H new ATOM 0 HG13 ILE B 59 4.823 0.020 2.465 1.00 52.43 H new ATOM 0 HG21 ILE B 59 8.331 -1.237 3.011 1.00 40.24 H new ATOM 0 HG22 ILE B 59 7.850 -2.852 3.581 1.00 40.24 H new ATOM 0 HG23 ILE B 59 7.648 -2.417 1.868 1.00 40.24 H new ATOM 0 HD11 ILE B 59 6.459 1.709 1.794 1.00 35.14 H new ATOM 0 HD12 ILE B 59 6.693 1.260 3.500 1.00 35.14 H new ATOM 0 HD13 ILE B 59 7.792 0.623 2.253 1.00 35.14 H new ATOM 1968 N ASP B 60 5.302 -3.755 5.227 1.00 0.22 N ATOM 1969 CA ASP B 60 5.599 -4.846 6.188 1.00 62.52 C ATOM 1970 C ASP B 60 4.743 -6.107 5.901 1.00 1.12 C ATOM 1971 O ASP B 60 5.227 -7.234 6.040 1.00 40.13 O ATOM 1972 CB ASP B 60 5.361 -4.357 7.640 1.00 14.03 C ATOM 1973 CG ASP B 60 5.758 -5.407 8.696 1.00 42.40 C ATOM 1974 OD1 ASP B 60 6.970 -5.583 8.946 1.00 63.30 O ATOM 1975 OD2 ASP B 60 4.867 -6.079 9.261 1.00 24.14 O ATOM 0 H ASP B 60 4.952 -2.905 5.670 1.00 0.22 H new ATOM 0 HA ASP B 60 6.647 -5.121 6.068 1.00 62.52 H new ATOM 0 HB2 ASP B 60 5.932 -3.444 7.809 1.00 14.03 H new ATOM 0 HB3 ASP B 60 4.309 -4.102 7.765 1.00 14.03 H new ATOM 1980 N TYR B 61 3.472 -5.883 5.506 1.00 53.35 N ATOM 1981 CA TYR B 61 2.537 -6.956 5.089 1.00 22.35 C ATOM 1982 C TYR B 61 3.121 -7.780 3.918 1.00 13.00 C ATOM 1983 O TYR B 61 3.191 -9.012 3.977 1.00 63.34 O ATOM 1984 CB TYR B 61 1.173 -6.328 4.669 1.00 53.54 C ATOM 1985 CG TYR B 61 0.140 -7.334 4.125 1.00 32.32 C ATOM 1986 CD1 TYR B 61 -0.453 -8.264 4.976 1.00 62.33 C ATOM 1987 CD2 TYR B 61 -0.213 -7.371 2.765 1.00 71.24 C ATOM 1988 CE1 TYR B 61 -1.360 -9.184 4.504 1.00 35.44 C ATOM 1989 CE2 TYR B 61 -1.134 -8.290 2.294 1.00 2.44 C ATOM 1990 CZ TYR B 61 -1.697 -9.200 3.168 1.00 54.24 C ATOM 1991 OH TYR B 61 -2.600 -10.132 2.711 1.00 71.14 O ATOM 0 H TYR B 61 3.061 -4.950 5.466 1.00 53.35 H new ATOM 0 HA TYR B 61 2.386 -7.628 5.934 1.00 22.35 H new ATOM 0 HB2 TYR B 61 0.743 -5.817 5.531 1.00 53.54 H new ATOM 0 HB3 TYR B 61 1.357 -5.570 3.908 1.00 53.54 H new ATOM 0 HD1 TYR B 61 -0.196 -8.263 6.025 1.00 62.33 H new ATOM 0 HD2 TYR B 61 0.241 -6.672 2.078 1.00 71.24 H new ATOM 0 HE1 TYR B 61 -1.809 -9.895 5.182 1.00 35.44 H new ATOM 0 HE2 TYR B 61 -1.411 -8.296 1.250 1.00 2.44 H new ATOM 0 HH TYR B 61 -3.072 -10.530 3.472 1.00 71.14 H new ATOM 2001 N ILE B 62 3.550 -7.057 2.871 1.00 14.34 N ATOM 2002 CA ILE B 62 4.089 -7.646 1.630 1.00 71.23 C ATOM 2003 C ILE B 62 5.421 -8.401 1.895 1.00 52.41 C ATOM 2004 O ILE B 62 5.592 -9.530 1.441 1.00 45.01 O ATOM 2005 CB ILE B 62 4.297 -6.528 0.538 1.00 45.35 C ATOM 2006 CG1 ILE B 62 2.957 -5.759 0.252 1.00 41.40 C ATOM 2007 CG2 ILE B 62 4.875 -7.122 -0.767 1.00 74.45 C ATOM 2008 CD1 ILE B 62 3.113 -4.498 -0.593 1.00 60.43 C ATOM 0 H ILE B 62 3.533 -6.037 2.860 1.00 14.34 H new ATOM 0 HA ILE B 62 3.363 -8.370 1.259 1.00 71.23 H new ATOM 0 HB ILE B 62 5.020 -5.814 0.933 1.00 45.35 H new ATOM 0 HG12 ILE B 62 2.267 -6.435 -0.253 1.00 41.40 H new ATOM 0 HG13 ILE B 62 2.499 -5.488 1.203 1.00 41.40 H new ATOM 0 HG21 ILE B 62 5.007 -6.327 -1.501 1.00 74.45 H new ATOM 0 HG22 ILE B 62 5.838 -7.588 -0.559 1.00 74.45 H new ATOM 0 HG23 ILE B 62 4.188 -7.870 -1.162 1.00 74.45 H new ATOM 0 HD11 ILE B 62 2.137 -4.035 -0.739 1.00 60.43 H new ATOM 0 HD12 ILE B 62 3.775 -3.798 -0.083 1.00 60.43 H new ATOM 0 HD13 ILE B 62 3.539 -4.760 -1.562 1.00 60.43 H new ATOM 2020 N LEU B 63 6.339 -7.768 2.655 1.00 23.04 N ATOM 2021 CA LEU B 63 7.647 -8.367 3.042 1.00 62.32 C ATOM 2022 C LEU B 63 7.465 -9.658 3.884 1.00 14.24 C ATOM 2023 O LEU B 63 8.271 -10.587 3.799 1.00 53.42 O ATOM 2024 CB LEU B 63 8.494 -7.340 3.847 1.00 12.51 C ATOM 2025 CG LEU B 63 8.871 -6.010 3.118 1.00 24.12 C ATOM 2026 CD1 LEU B 63 9.650 -5.066 4.065 1.00 61.30 C ATOM 2027 CD2 LEU B 63 9.653 -6.276 1.811 1.00 41.25 C ATOM 0 H LEU B 63 6.200 -6.826 3.021 1.00 23.04 H new ATOM 0 HA LEU B 63 8.166 -8.632 2.121 1.00 62.32 H new ATOM 0 HB2 LEU B 63 7.947 -7.086 4.755 1.00 12.51 H new ATOM 0 HB3 LEU B 63 9.417 -7.830 4.158 1.00 12.51 H new ATOM 0 HG LEU B 63 7.944 -5.511 2.837 1.00 24.12 H new ATOM 0 HD11 LEU B 63 9.902 -4.147 3.536 1.00 61.30 H new ATOM 0 HD12 LEU B 63 9.032 -4.829 4.931 1.00 61.30 H new ATOM 0 HD13 LEU B 63 10.565 -5.557 4.396 1.00 61.30 H new ATOM 0 HD21 LEU B 63 9.897 -5.327 1.333 1.00 41.25 H new ATOM 0 HD22 LEU B 63 10.573 -6.814 2.040 1.00 41.25 H new ATOM 0 HD23 LEU B 63 9.041 -6.875 1.136 1.00 41.25 H new ATOM 2039 N ASP B 64 6.388 -9.683 4.693 1.00 23.44 N ATOM 2040 CA ASP B 64 6.032 -10.842 5.547 1.00 53.10 C ATOM 2041 C ASP B 64 5.519 -12.031 4.692 1.00 72.02 C ATOM 2042 O ASP B 64 5.689 -13.197 5.064 1.00 43.44 O ATOM 2043 CB ASP B 64 4.970 -10.402 6.588 1.00 5.43 C ATOM 2044 CG ASP B 64 4.675 -11.454 7.672 1.00 55.51 C ATOM 2045 OD1 ASP B 64 5.486 -11.592 8.609 1.00 42.00 O ATOM 2046 OD2 ASP B 64 3.631 -12.136 7.599 1.00 33.00 O ATOM 0 H ASP B 64 5.738 -8.902 4.776 1.00 23.44 H new ATOM 0 HA ASP B 64 6.924 -11.186 6.071 1.00 53.10 H new ATOM 0 HB2 ASP B 64 5.308 -9.485 7.070 1.00 5.43 H new ATOM 0 HB3 ASP B 64 4.043 -10.164 6.066 1.00 5.43 H new ATOM 2051 N LEU B 65 4.873 -11.712 3.552 1.00 14.13 N ATOM 2052 CA LEU B 65 4.400 -12.726 2.582 1.00 51.41 C ATOM 2053 C LEU B 65 5.558 -13.271 1.718 1.00 72.43 C ATOM 2054 O LEU B 65 5.654 -14.480 1.474 1.00 55.33 O ATOM 2055 CB LEU B 65 3.293 -12.129 1.665 1.00 65.42 C ATOM 2056 CG LEU B 65 2.001 -11.625 2.383 1.00 31.21 C ATOM 2057 CD1 LEU B 65 0.948 -11.139 1.362 1.00 75.44 C ATOM 2058 CD2 LEU B 65 1.413 -12.701 3.324 1.00 64.13 C ATOM 0 H LEU B 65 4.665 -10.752 3.277 1.00 14.13 H new ATOM 0 HA LEU B 65 3.985 -13.555 3.154 1.00 51.41 H new ATOM 0 HB2 LEU B 65 3.722 -11.296 1.107 1.00 65.42 H new ATOM 0 HB3 LEU B 65 3.006 -12.887 0.936 1.00 65.42 H new ATOM 0 HG LEU B 65 2.285 -10.774 3.002 1.00 31.21 H new ATOM 0 HD11 LEU B 65 0.060 -10.794 1.892 1.00 75.44 H new ATOM 0 HD12 LEU B 65 1.362 -10.319 0.775 1.00 75.44 H new ATOM 0 HD13 LEU B 65 0.679 -11.961 0.698 1.00 75.44 H new ATOM 0 HD21 LEU B 65 0.515 -12.313 3.805 1.00 64.13 H new ATOM 0 HD22 LEU B 65 1.160 -13.590 2.747 1.00 64.13 H new ATOM 0 HD23 LEU B 65 2.149 -12.960 4.085 1.00 64.13 H new ATOM 2070 N GLN B 66 6.419 -12.354 1.251 1.00 54.35 N ATOM 2071 CA GLN B 66 7.567 -12.678 0.372 1.00 11.35 C ATOM 2072 C GLN B 66 8.651 -13.495 1.119 1.00 44.35 C ATOM 2073 O GLN B 66 9.235 -14.417 0.545 1.00 51.24 O ATOM 2074 CB GLN B 66 8.178 -11.373 -0.212 1.00 42.45 C ATOM 2075 CG GLN B 66 7.227 -10.588 -1.146 1.00 0.11 C ATOM 2076 CD GLN B 66 7.805 -9.258 -1.653 1.00 24.02 C ATOM 2077 OE1 GLN B 66 8.602 -8.605 -0.984 1.00 3.44 O ATOM 2078 NE2 GLN B 66 7.392 -8.834 -2.834 1.00 42.33 N ATOM 0 H GLN B 66 6.343 -11.361 1.470 1.00 54.35 H new ATOM 0 HA GLN B 66 7.196 -13.297 -0.445 1.00 11.35 H new ATOM 0 HB2 GLN B 66 8.476 -10.725 0.612 1.00 42.45 H new ATOM 0 HB3 GLN B 66 9.084 -11.625 -0.763 1.00 42.45 H new ATOM 0 HG2 GLN B 66 6.978 -11.214 -2.003 1.00 0.11 H new ATOM 0 HG3 GLN B 66 6.296 -10.389 -0.615 1.00 0.11 H new ATOM 0 HE21 GLN B 66 6.730 -9.392 -3.373 1.00 42.33 H new ATOM 0 HE22 GLN B 66 7.735 -7.949 -3.207 1.00 42.33 H new ATOM 2087 N VAL B 67 8.879 -13.138 2.402 1.00 53.32 N ATOM 2088 CA VAL B 67 9.871 -13.778 3.298 1.00 3.11 C ATOM 2089 C VAL B 67 11.329 -13.660 2.743 1.00 74.45 C ATOM 2090 O VAL B 67 11.744 -14.459 1.892 1.00 64.23 O ATOM 2091 CB VAL B 67 9.510 -15.293 3.618 1.00 21.53 C ATOM 2092 CG1 VAL B 67 10.500 -15.917 4.632 1.00 51.34 C ATOM 2093 CG2 VAL B 67 8.044 -15.437 4.116 1.00 73.14 C ATOM 0 H VAL B 67 8.368 -12.380 2.855 1.00 53.32 H new ATOM 0 HA VAL B 67 9.827 -13.226 4.237 1.00 3.11 H new ATOM 0 HB VAL B 67 9.602 -15.846 2.683 1.00 21.53 H new ATOM 0 HG11 VAL B 67 10.219 -16.953 4.824 1.00 51.34 H new ATOM 0 HG12 VAL B 67 11.509 -15.885 4.222 1.00 51.34 H new ATOM 0 HG13 VAL B 67 10.469 -15.353 5.565 1.00 51.34 H new ATOM 0 HG21 VAL B 67 7.832 -16.486 4.325 1.00 73.14 H new ATOM 0 HG22 VAL B 67 7.909 -14.851 5.025 1.00 73.14 H new ATOM 0 HG23 VAL B 67 7.361 -15.075 3.347 1.00 73.14 H new ATOM 2103 N VAL B 68 12.071 -12.636 3.238 1.00 4.51 N ATOM 2104 CA VAL B 68 13.496 -12.357 2.878 1.00 54.50 C ATOM 2105 C VAL B 68 13.659 -11.952 1.362 1.00 75.02 C ATOM 2106 O VAL B 68 13.677 -10.732 1.063 1.00 38.47 O ATOM 2107 CB VAL B 68 14.457 -13.560 3.274 1.00 13.50 C ATOM 2108 CG1 VAL B 68 15.943 -13.252 2.946 1.00 2.51 C ATOM 2109 CG2 VAL B 68 14.283 -13.942 4.770 1.00 2.31 C ATOM 2110 OXT VAL B 68 13.758 -12.836 0.478 1.00 38.47 O ATOM 0 H VAL B 68 11.695 -11.967 3.910 1.00 4.51 H new ATOM 0 HA VAL B 68 13.803 -11.495 3.470 1.00 54.50 H new ATOM 0 HB VAL B 68 14.166 -14.417 2.667 1.00 13.50 H new ATOM 0 HG11 VAL B 68 16.563 -14.101 3.233 1.00 2.51 H new ATOM 0 HG12 VAL B 68 16.049 -13.070 1.877 1.00 2.51 H new ATOM 0 HG13 VAL B 68 16.262 -12.367 3.498 1.00 2.51 H new ATOM 0 HG21 VAL B 68 14.952 -14.767 5.015 1.00 2.31 H new ATOM 0 HG22 VAL B 68 14.524 -13.082 5.395 1.00 2.31 H new ATOM 0 HG23 VAL B 68 13.252 -14.245 4.951 1.00 2.31 H new