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 66 GLN : amide:sc= -0.0419 K(o=-0.042,f=-2.7!) USER MOD Set 1.2: B 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 TYR OH : rot 79:sc= -0.0144 USER MOD Set 2.2: B 66 GLN : amide:sc= -0.0143 X(o=-0.029,f=-0.029) USER MOD Set 3.1: A 29 MET CE :methyl -170:sc= -0.996 (180deg=-1.09) USER MOD Set 3.2: A 33 TYR OH : rot -150:sc= 0.94 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.0133 K(o=-0.44,f=-1.1) USER MOD Set 3.4: B 29 MET CE :methyl -174:sc= -1.49 (180deg=-1.5) USER MOD Set 3.5: B 33 TYR OH : rot 100:sc= 1.11 USER MOD Set 3.6: B 51 GLN : amide:sc= 0.0175 K(o=-0.44,f=-2.3!) USER MOD Single : A 30 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.49!) USER MOD Single : A 31 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.14) USER MOD Single : A 32 CYS SG : rot 67:sc= -0.244 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 101:sc= 0.269 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.074 K(o=-0.074,f=-0.78) 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) USER MOD Single : B 32 CYS SG : rot 170:sc= -0.117 USER MOD Single : B 34 SER OG : rot -70:sc= 0.266 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.214 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 50 SER OG : rot 180:sc= -0.0872 USER MOD Single : B 56 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 11.578 12.499 4.054 1.00 2.45 N ATOM 372 CA ASP A 27 10.110 12.474 3.912 1.00 33.10 C ATOM 373 C ASP A 27 9.596 11.020 3.975 1.00 64.13 C ATOM 374 O ASP A 27 9.542 10.328 2.962 1.00 72.40 O ATOM 375 CB ASP A 27 9.657 13.223 2.628 1.00 64.15 C ATOM 376 CG ASP A 27 10.101 14.698 2.643 1.00 13.24 C ATOM 377 OD1 ASP A 27 11.311 14.966 2.495 1.00 1.41 O ATOM 378 OD2 ASP A 27 9.253 15.592 2.856 1.00 14.04 O ATOM 0 HA ASP A 27 9.661 13.011 4.747 1.00 33.10 H new ATOM 0 HB2 ASP A 27 10.073 12.727 1.751 1.00 64.15 H new ATOM 0 HB3 ASP A 27 8.572 13.170 2.540 1.00 64.15 H new ATOM 383 N ASP A 28 9.257 10.581 5.201 1.00 34.54 N ATOM 384 CA ASP A 28 8.939 9.170 5.538 1.00 5.03 C ATOM 385 C ASP A 28 7.788 8.592 4.678 1.00 71.10 C ATOM 386 O ASP A 28 7.829 7.430 4.276 1.00 32.31 O ATOM 387 CB ASP A 28 8.598 9.073 7.045 1.00 75.24 C ATOM 388 CG ASP A 28 9.713 9.646 7.936 1.00 31.51 C ATOM 389 OD1 ASP A 28 9.793 10.885 8.082 1.00 53.24 O ATOM 390 OD2 ASP A 28 10.521 8.863 8.481 1.00 32.55 O ATOM 0 H ASP A 28 9.194 11.205 6.005 1.00 34.54 H new ATOM 0 HA ASP A 28 9.818 8.566 5.314 1.00 5.03 H new ATOM 0 HB2 ASP A 28 7.669 9.609 7.240 1.00 75.24 H new ATOM 0 HB3 ASP A 28 8.425 8.030 7.309 1.00 75.24 H new ATOM 395 N MET A 29 6.771 9.428 4.408 1.00 71.45 N ATOM 396 CA MET A 29 5.641 9.075 3.519 1.00 71.13 C ATOM 397 C MET A 29 6.106 8.855 2.056 1.00 14.03 C ATOM 398 O MET A 29 5.738 7.858 1.438 1.00 20.24 O ATOM 399 CB MET A 29 4.535 10.166 3.605 1.00 30.24 C ATOM 400 CG MET A 29 3.402 10.050 2.558 1.00 71.01 C ATOM 401 SD MET A 29 1.784 10.488 3.209 1.00 42.44 S ATOM 402 CE MET A 29 1.404 9.008 4.128 1.00 64.55 C ATOM 0 H MET A 29 6.705 10.368 4.798 1.00 71.45 H new ATOM 0 HA MET A 29 5.223 8.128 3.860 1.00 71.13 H new ATOM 0 HB2 MET A 29 4.091 10.131 4.600 1.00 30.24 H new ATOM 0 HB3 MET A 29 5.005 11.144 3.499 1.00 30.24 H new ATOM 0 HG2 MET A 29 3.632 10.696 1.711 1.00 71.01 H new ATOM 0 HG3 MET A 29 3.369 9.028 2.180 1.00 71.01 H new ATOM 0 HE1 MET A 29 0.363 9.037 4.449 1.00 64.55 H new ATOM 0 HE2 MET A 29 1.564 8.135 3.495 1.00 64.55 H new ATOM 0 HE3 MET A 29 2.052 8.946 5.002 1.00 64.55 H new ATOM 412 N ASN A 30 6.929 9.784 1.535 1.00 23.14 N ATOM 413 CA ASN A 30 7.522 9.692 0.172 1.00 4.03 C ATOM 414 C ASN A 30 8.469 8.452 0.054 1.00 23.11 C ATOM 415 O ASN A 30 8.539 7.802 -0.995 1.00 73.21 O ATOM 416 CB ASN A 30 8.264 11.032 -0.134 1.00 45.52 C ATOM 417 CG ASN A 30 8.693 11.232 -1.596 1.00 64.14 C ATOM 418 OD1 ASN A 30 9.074 10.302 -2.294 1.00 42.51 O ATOM 419 ND2 ASN A 30 8.633 12.463 -2.077 1.00 10.41 N ATOM 0 H ASN A 30 7.207 10.624 2.042 1.00 23.14 H new ATOM 0 HA ASN A 30 6.737 9.546 -0.569 1.00 4.03 H new ATOM 0 HB2 ASN A 30 7.615 11.860 0.152 1.00 45.52 H new ATOM 0 HB3 ASN A 30 9.151 11.088 0.497 1.00 45.52 H new ATOM 0 HD21 ASN A 30 8.906 12.647 -3.042 1.00 10.41 H new ATOM 0 HD22 ASN A 30 8.313 13.228 -1.483 1.00 10.41 H new ATOM 426 N HIS A 31 9.163 8.133 1.162 1.00 53.34 N ATOM 427 CA HIS A 31 10.053 6.952 1.273 1.00 11.04 C ATOM 428 C HIS A 31 9.231 5.634 1.269 1.00 74.34 C ATOM 429 O HIS A 31 9.659 4.616 0.712 1.00 22.12 O ATOM 430 CB HIS A 31 10.899 7.061 2.570 1.00 10.01 C ATOM 431 CG HIS A 31 11.898 5.944 2.758 1.00 21.40 C ATOM 432 ND1 HIS A 31 11.560 4.781 3.408 1.00 30.03 N ATOM 433 CD2 HIS A 31 13.192 5.858 2.360 1.00 12.42 C ATOM 434 CE1 HIS A 31 12.638 4.027 3.389 1.00 24.14 C ATOM 435 NE2 HIS A 31 13.653 4.632 2.768 1.00 12.11 N ATOM 0 H HIS A 31 9.125 8.690 2.016 1.00 53.34 H new ATOM 0 HA HIS A 31 10.718 6.931 0.410 1.00 11.04 H new ATOM 0 HB2 HIS A 31 11.432 8.012 2.563 1.00 10.01 H new ATOM 0 HB3 HIS A 31 10.227 7.079 3.428 1.00 10.01 H new ATOM 0 HD2 HIS A 31 13.752 6.610 1.825 1.00 12.42 H new ATOM 0 HE1 HIS A 31 12.695 3.040 3.823 1.00 24.14 H new ATOM 0 HE2 HIS A 31 14.590 4.256 2.625 1.00 12.11 H new ATOM 443 N CYS A 32 8.049 5.676 1.911 1.00 43.51 N ATOM 444 CA CYS A 32 7.094 4.549 1.919 1.00 40.50 C ATOM 445 C CYS A 32 6.486 4.320 0.516 1.00 33.44 C ATOM 446 O CYS A 32 6.306 3.178 0.092 1.00 73.20 O ATOM 447 CB CYS A 32 5.985 4.789 2.962 1.00 70.43 C ATOM 448 SG CYS A 32 6.580 4.816 4.666 1.00 15.11 S ATOM 0 H CYS A 32 7.728 6.489 2.438 1.00 43.51 H new ATOM 0 HA CYS A 32 7.640 3.647 2.195 1.00 40.50 H new ATOM 0 HB2 CYS A 32 5.493 5.737 2.744 1.00 70.43 H new ATOM 0 HB3 CYS A 32 5.231 4.008 2.863 1.00 70.43 H new ATOM 0 HG CYS A 32 7.343 5.854 4.843 1.00 15.11 H new ATOM 454 N TYR A 33 6.194 5.431 -0.195 1.00 53.02 N ATOM 455 CA TYR A 33 5.726 5.410 -1.604 1.00 50.35 C ATOM 456 C TYR A 33 6.790 4.807 -2.547 1.00 3.02 C ATOM 457 O TYR A 33 6.451 4.124 -3.521 1.00 2.04 O ATOM 458 CB TYR A 33 5.325 6.843 -2.071 1.00 24.32 C ATOM 459 CG TYR A 33 3.882 7.242 -1.709 1.00 24.33 C ATOM 460 CD1 TYR A 33 2.815 6.583 -2.309 1.00 40.52 C ATOM 461 CD2 TYR A 33 3.580 8.270 -0.809 1.00 30.44 C ATOM 462 CE1 TYR A 33 1.515 6.920 -2.036 1.00 12.11 C ATOM 463 CE2 TYR A 33 2.271 8.608 -0.530 1.00 34.32 C ATOM 464 CZ TYR A 33 1.245 7.931 -1.145 1.00 72.10 C ATOM 465 OH TYR A 33 -0.054 8.263 -0.861 1.00 11.30 O ATOM 0 H TYR A 33 6.276 6.372 0.191 1.00 53.02 H new ATOM 0 HA TYR A 33 4.845 4.770 -1.650 1.00 50.35 H new ATOM 0 HB2 TYR A 33 6.012 7.564 -1.627 1.00 24.32 H new ATOM 0 HB3 TYR A 33 5.448 6.909 -3.152 1.00 24.32 H new ATOM 0 HD1 TYR A 33 3.016 5.785 -3.008 1.00 40.52 H new ATOM 0 HD2 TYR A 33 4.383 8.807 -0.326 1.00 30.44 H new ATOM 0 HE1 TYR A 33 0.706 6.393 -2.519 1.00 12.11 H new ATOM 0 HE2 TYR A 33 2.054 9.402 0.169 1.00 34.32 H new ATOM 0 HH TYR A 33 -0.106 9.215 -0.635 1.00 11.30 H new ATOM 475 N SER A 34 8.072 5.074 -2.241 1.00 25.21 N ATOM 476 CA SER A 34 9.221 4.471 -2.955 1.00 4.31 C ATOM 477 C SER A 34 9.202 2.926 -2.822 1.00 34.31 C ATOM 478 O SER A 34 9.343 2.216 -3.819 1.00 53.32 O ATOM 479 CB SER A 34 10.554 5.047 -2.411 1.00 5.22 C ATOM 480 OG SER A 34 11.695 4.500 -3.066 1.00 72.12 O ATOM 0 H SER A 34 8.345 5.712 -1.494 1.00 25.21 H new ATOM 0 HA SER A 34 9.139 4.722 -4.013 1.00 4.31 H new ATOM 0 HB2 SER A 34 10.554 6.130 -2.533 1.00 5.22 H new ATOM 0 HB3 SER A 34 10.623 4.847 -1.342 1.00 5.22 H new ATOM 0 HG SER A 34 12.509 4.895 -2.689 1.00 72.12 H new ATOM 486 N ARG A 35 8.989 2.436 -1.578 1.00 71.33 N ATOM 487 CA ARG A 35 8.875 0.983 -1.270 1.00 35.13 C ATOM 488 C ARG A 35 7.668 0.317 -1.957 1.00 64.20 C ATOM 489 O ARG A 35 7.757 -0.840 -2.374 1.00 13.52 O ATOM 490 CB ARG A 35 8.797 0.748 0.244 1.00 44.55 C ATOM 491 CG ARG A 35 10.128 0.979 0.972 1.00 30.33 C ATOM 492 CD ARG A 35 10.030 0.570 2.437 1.00 51.44 C ATOM 493 NE ARG A 35 11.275 0.795 3.184 1.00 24.23 N ATOM 494 CZ ARG A 35 11.373 0.825 4.497 1.00 34.45 C ATOM 495 NH1 ARG A 35 10.337 0.666 5.264 1.00 71.00 N ATOM 496 NH2 ARG A 35 12.522 1.021 5.038 1.00 24.44 N ATOM 0 H ARG A 35 8.891 3.033 -0.757 1.00 71.33 H new ATOM 0 HA ARG A 35 9.777 0.519 -1.668 1.00 35.13 H new ATOM 0 HB2 ARG A 35 8.042 1.410 0.667 1.00 44.55 H new ATOM 0 HB3 ARG A 35 8.465 -0.274 0.428 1.00 44.55 H new ATOM 0 HG2 ARG A 35 10.917 0.407 0.484 1.00 30.33 H new ATOM 0 HG3 ARG A 35 10.406 2.031 0.903 1.00 30.33 H new ATOM 0 HD2 ARG A 35 9.223 1.129 2.911 1.00 51.44 H new ATOM 0 HD3 ARG A 35 9.764 -0.485 2.496 1.00 51.44 H new ATOM 0 HE ARG A 35 12.129 0.939 2.645 1.00 24.23 H new ATOM 0 HH11 ARG A 35 9.416 0.513 4.852 1.00 71.00 H new ATOM 0 HH12 ARG A 35 10.444 0.694 6.278 1.00 71.00 H new ATOM 0 HH21 ARG A 35 13.346 1.151 4.452 1.00 24.44 H new ATOM 0 HH22 ARG A 35 12.610 1.046 6.054 1.00 24.44 H new ATOM 510 N LEU A 36 6.536 1.045 -2.039 1.00 31.13 N ATOM 511 CA LEU A 36 5.342 0.570 -2.764 1.00 33.01 C ATOM 512 C LEU A 36 5.696 0.309 -4.249 1.00 54.11 C ATOM 513 O LEU A 36 5.451 -0.774 -4.764 1.00 2.33 O ATOM 514 CB LEU A 36 4.175 1.590 -2.650 1.00 24.41 C ATOM 515 CG LEU A 36 3.629 1.873 -1.207 1.00 74.14 C ATOM 516 CD1 LEU A 36 2.481 2.912 -1.227 1.00 5.31 C ATOM 517 CD2 LEU A 36 3.189 0.568 -0.494 1.00 61.33 C ATOM 0 H LEU A 36 6.425 1.964 -1.612 1.00 31.13 H new ATOM 0 HA LEU A 36 5.011 -0.364 -2.310 1.00 33.01 H new ATOM 0 HB2 LEU A 36 4.505 2.535 -3.081 1.00 24.41 H new ATOM 0 HB3 LEU A 36 3.348 1.232 -3.263 1.00 24.41 H new ATOM 0 HG LEU A 36 4.451 2.299 -0.632 1.00 74.14 H new ATOM 0 HD11 LEU A 36 2.127 3.083 -0.210 1.00 5.31 H new ATOM 0 HD12 LEU A 36 2.846 3.849 -1.647 1.00 5.31 H new ATOM 0 HD13 LEU A 36 1.660 2.536 -1.838 1.00 5.31 H new ATOM 0 HD21 LEU A 36 2.817 0.806 0.503 1.00 61.33 H new ATOM 0 HD22 LEU A 36 2.399 0.087 -1.071 1.00 61.33 H new ATOM 0 HD23 LEU A 36 4.041 -0.107 -0.412 1.00 61.33 H new ATOM 529 N ARG A 37 6.361 1.292 -4.889 1.00 71.30 N ATOM 530 CA ARG A 37 6.815 1.188 -6.301 1.00 13.34 C ATOM 531 C ARG A 37 7.863 0.065 -6.531 1.00 14.04 C ATOM 532 O ARG A 37 8.073 -0.356 -7.675 1.00 12.24 O ATOM 533 CB ARG A 37 7.371 2.538 -6.782 1.00 55.42 C ATOM 534 CG ARG A 37 6.296 3.643 -6.852 1.00 34.12 C ATOM 535 CD ARG A 37 6.818 4.950 -7.446 1.00 34.33 C ATOM 536 NE ARG A 37 7.147 4.836 -8.884 1.00 50.24 N ATOM 537 CZ ARG A 37 8.160 5.423 -9.489 1.00 71.03 C ATOM 538 NH1 ARG A 37 9.040 6.101 -8.821 1.00 74.54 N ATOM 539 NH2 ARG A 37 8.287 5.314 -10.770 1.00 44.34 N ATOM 0 H ARG A 37 6.601 2.180 -4.448 1.00 71.30 H new ATOM 0 HA ARG A 37 5.937 0.918 -6.888 1.00 13.34 H new ATOM 0 HB2 ARG A 37 8.168 2.856 -6.110 1.00 55.42 H new ATOM 0 HB3 ARG A 37 7.817 2.410 -7.768 1.00 55.42 H new ATOM 0 HG2 ARG A 37 5.457 3.288 -7.451 1.00 34.12 H new ATOM 0 HG3 ARG A 37 5.914 3.834 -5.849 1.00 34.12 H new ATOM 0 HD2 ARG A 37 6.069 5.730 -7.310 1.00 34.33 H new ATOM 0 HD3 ARG A 37 7.707 5.263 -6.898 1.00 34.33 H new ATOM 0 HE ARG A 37 6.537 4.253 -9.457 1.00 50.24 H new ATOM 0 HH11 ARG A 37 8.956 6.188 -7.808 1.00 74.54 H new ATOM 0 HH12 ARG A 37 9.817 6.548 -9.308 1.00 74.54 H new ATOM 0 HH21 ARG A 37 7.606 4.776 -11.306 1.00 44.34 H new ATOM 0 HH22 ARG A 37 9.068 5.766 -11.245 1.00 44.34 H new ATOM 553 N GLU A 38 8.518 -0.404 -5.444 1.00 32.22 N ATOM 554 CA GLU A 38 9.511 -1.506 -5.518 1.00 71.24 C ATOM 555 C GLU A 38 8.807 -2.881 -5.447 1.00 2.32 C ATOM 556 O GLU A 38 9.126 -3.805 -6.204 1.00 72.44 O ATOM 557 CB GLU A 38 10.556 -1.391 -4.369 1.00 53.31 C ATOM 558 CG GLU A 38 11.449 -0.135 -4.408 1.00 3.22 C ATOM 559 CD GLU A 38 12.295 -0.019 -5.690 1.00 13.24 C ATOM 560 OE1 GLU A 38 13.225 -0.836 -5.873 1.00 23.11 O ATOM 561 OE2 GLU A 38 12.038 0.885 -6.518 1.00 51.10 O ATOM 0 H GLU A 38 8.378 -0.037 -4.503 1.00 32.22 H new ATOM 0 HA GLU A 38 10.030 -1.422 -6.473 1.00 71.24 H new ATOM 0 HB2 GLU A 38 10.026 -1.410 -3.416 1.00 53.31 H new ATOM 0 HB3 GLU A 38 11.197 -2.272 -4.395 1.00 53.31 H new ATOM 0 HG2 GLU A 38 10.820 0.751 -4.316 1.00 3.22 H new ATOM 0 HG3 GLU A 38 12.113 -0.145 -3.544 1.00 3.22 H new ATOM 568 N LEU A 39 7.838 -2.987 -4.521 1.00 75.12 N ATOM 569 CA LEU A 39 7.102 -4.240 -4.230 1.00 52.34 C ATOM 570 C LEU A 39 6.059 -4.577 -5.312 1.00 32.34 C ATOM 571 O LEU A 39 5.682 -5.741 -5.477 1.00 44.03 O ATOM 572 CB LEU A 39 6.440 -4.136 -2.832 1.00 64.53 C ATOM 573 CG LEU A 39 7.439 -4.190 -1.631 1.00 34.23 C ATOM 574 CD1 LEU A 39 6.739 -3.880 -0.288 1.00 51.23 C ATOM 575 CD2 LEU A 39 8.161 -5.564 -1.590 1.00 4.30 C ATOM 0 H LEU A 39 7.537 -2.200 -3.945 1.00 75.12 H new ATOM 0 HA LEU A 39 7.820 -5.060 -4.233 1.00 52.34 H new ATOM 0 HB2 LEU A 39 5.879 -3.203 -2.779 1.00 64.53 H new ATOM 0 HB3 LEU A 39 5.720 -4.947 -2.725 1.00 64.53 H new ATOM 0 HG LEU A 39 8.188 -3.413 -1.783 1.00 34.23 H new ATOM 0 HD11 LEU A 39 7.467 -3.928 0.521 1.00 51.23 H new ATOM 0 HD12 LEU A 39 6.304 -2.881 -0.326 1.00 51.23 H new ATOM 0 HD13 LEU A 39 5.951 -4.612 -0.111 1.00 51.23 H new ATOM 0 HD21 LEU A 39 8.853 -5.586 -0.748 1.00 4.30 H new ATOM 0 HD22 LEU A 39 7.424 -6.359 -1.475 1.00 4.30 H new ATOM 0 HD23 LEU A 39 8.713 -5.713 -2.518 1.00 4.30 H new ATOM 587 N VAL A 40 5.601 -3.544 -6.037 1.00 42.44 N ATOM 588 CA VAL A 40 4.662 -3.697 -7.165 1.00 61.33 C ATOM 589 C VAL A 40 5.446 -3.816 -8.506 1.00 53.40 C ATOM 590 O VAL A 40 5.990 -2.818 -8.989 1.00 53.30 O ATOM 591 CB VAL A 40 3.659 -2.482 -7.235 1.00 71.03 C ATOM 592 CG1 VAL A 40 2.606 -2.676 -8.352 1.00 0.24 C ATOM 593 CG2 VAL A 40 2.983 -2.244 -5.860 1.00 13.31 C ATOM 0 H VAL A 40 5.871 -2.577 -5.859 1.00 42.44 H new ATOM 0 HA VAL A 40 4.087 -4.609 -7.004 1.00 61.33 H new ATOM 0 HB VAL A 40 4.235 -1.592 -7.486 1.00 71.03 H new ATOM 0 HG11 VAL A 40 1.932 -1.819 -8.370 1.00 0.24 H new ATOM 0 HG12 VAL A 40 3.109 -2.762 -9.315 1.00 0.24 H new ATOM 0 HG13 VAL A 40 2.034 -3.583 -8.159 1.00 0.24 H new ATOM 0 HG21 VAL A 40 2.296 -1.401 -5.933 1.00 13.31 H new ATOM 0 HG22 VAL A 40 2.432 -3.137 -5.566 1.00 13.31 H new ATOM 0 HG23 VAL A 40 3.746 -2.026 -5.112 1.00 13.31 H new ATOM 603 N PRO A 41 5.538 -5.043 -9.126 1.00 14.21 N ATOM 604 CA PRO A 41 6.230 -5.244 -10.426 1.00 63.14 C ATOM 605 C PRO A 41 5.330 -4.925 -11.653 1.00 71.14 C ATOM 606 O PRO A 41 5.751 -5.106 -12.796 1.00 1.12 O ATOM 607 CB PRO A 41 6.604 -6.741 -10.364 1.00 62.01 C ATOM 608 CG PRO A 41 5.460 -7.369 -9.625 1.00 75.34 C ATOM 609 CD PRO A 41 4.992 -6.333 -8.614 1.00 34.32 C ATOM 0 HA PRO A 41 7.081 -4.577 -10.559 1.00 63.14 H new ATOM 0 HB2 PRO A 41 6.717 -7.166 -11.361 1.00 62.01 H new ATOM 0 HB3 PRO A 41 7.549 -6.895 -9.843 1.00 62.01 H new ATOM 0 HG2 PRO A 41 4.655 -7.638 -10.309 1.00 75.34 H new ATOM 0 HG3 PRO A 41 5.774 -8.286 -9.126 1.00 75.34 H new ATOM 0 HD2 PRO A 41 3.904 -6.306 -8.547 1.00 34.32 H new ATOM 0 HD3 PRO A 41 5.367 -6.555 -7.615 1.00 34.32 H new ATOM 617 N GLY A 42 4.090 -4.446 -11.397 1.00 12.10 N ATOM 618 CA GLY A 42 3.147 -4.043 -12.457 1.00 62.33 C ATOM 619 C GLY A 42 3.291 -2.579 -12.896 1.00 24.50 C ATOM 620 O GLY A 42 2.299 -1.936 -13.267 1.00 5.10 O ATOM 0 H GLY A 42 3.720 -4.330 -10.453 1.00 12.10 H new ATOM 0 HA2 GLY A 42 3.293 -4.688 -13.324 1.00 62.33 H new ATOM 0 HA3 GLY A 42 2.129 -4.208 -12.105 1.00 62.33 H new ATOM 624 N VAL A 43 4.535 -2.056 -12.858 1.00 43.15 N ATOM 625 CA VAL A 43 4.869 -0.694 -13.334 1.00 44.35 C ATOM 626 C VAL A 43 5.133 -0.726 -14.871 1.00 72.05 C ATOM 627 O VAL A 43 6.137 -1.308 -15.304 1.00 24.24 O ATOM 628 CB VAL A 43 6.125 -0.120 -12.569 1.00 44.53 C ATOM 629 CG1 VAL A 43 6.453 1.321 -13.025 1.00 15.34 C ATOM 630 CG2 VAL A 43 5.915 -0.189 -11.033 1.00 15.05 C ATOM 0 H VAL A 43 5.340 -2.567 -12.495 1.00 43.15 H new ATOM 0 HA VAL A 43 4.025 -0.036 -13.129 1.00 44.35 H new ATOM 0 HB VAL A 43 6.982 -0.745 -12.820 1.00 44.53 H new ATOM 0 HG11 VAL A 43 7.323 1.686 -12.479 1.00 15.34 H new ATOM 0 HG12 VAL A 43 6.668 1.324 -14.094 1.00 15.34 H new ATOM 0 HG13 VAL A 43 5.600 1.969 -12.824 1.00 15.34 H new ATOM 0 HG21 VAL A 43 6.793 0.212 -10.527 1.00 15.05 H new ATOM 0 HG22 VAL A 43 5.039 0.398 -10.759 1.00 15.05 H new ATOM 0 HG23 VAL A 43 5.765 -1.226 -10.732 1.00 15.05 H new ATOM 640 N PRO A 44 4.234 -0.117 -15.717 1.00 13.11 N ATOM 641 CA PRO A 44 4.262 -0.296 -17.200 1.00 3.21 C ATOM 642 C PRO A 44 5.435 0.436 -17.929 1.00 34.31 C ATOM 643 O PRO A 44 5.246 1.502 -18.517 1.00 10.45 O ATOM 644 CB PRO A 44 2.864 0.230 -17.629 1.00 73.41 C ATOM 645 CG PRO A 44 2.517 1.268 -16.600 1.00 44.54 C ATOM 646 CD PRO A 44 3.118 0.782 -15.297 1.00 20.12 C ATOM 0 HA PRO A 44 4.450 -1.333 -17.480 1.00 3.21 H new ATOM 0 HB2 PRO A 44 2.892 0.659 -18.631 1.00 73.41 H new ATOM 0 HB3 PRO A 44 2.127 -0.573 -17.647 1.00 73.41 H new ATOM 0 HG2 PRO A 44 2.921 2.242 -16.877 1.00 44.54 H new ATOM 0 HG3 PRO A 44 1.437 1.384 -16.512 1.00 44.54 H new ATOM 0 HD2 PRO A 44 3.483 1.613 -14.693 1.00 20.12 H new ATOM 0 HD3 PRO A 44 2.383 0.248 -14.695 1.00 20.12 H new ATOM 654 N ARG A 45 6.645 -0.184 -17.876 1.00 55.45 N ATOM 655 CA ARG A 45 7.885 0.277 -18.570 1.00 11.52 C ATOM 656 C ARG A 45 8.240 1.757 -18.254 1.00 64.34 C ATOM 657 O ARG A 45 7.722 2.688 -18.892 1.00 70.51 O ATOM 658 CB ARG A 45 7.830 0.042 -20.120 1.00 32.32 C ATOM 659 CG ARG A 45 7.766 -1.440 -20.581 1.00 21.40 C ATOM 660 CD ARG A 45 6.390 -2.088 -20.355 1.00 21.12 C ATOM 661 NE ARG A 45 6.337 -3.483 -20.822 1.00 32.22 N ATOM 662 CZ ARG A 45 5.269 -4.255 -20.790 1.00 2.13 C ATOM 663 NH1 ARG A 45 4.132 -3.817 -20.352 1.00 64.43 N ATOM 664 NH2 ARG A 45 5.350 -5.473 -21.203 1.00 71.42 N ATOM 0 H ARG A 45 6.791 -1.038 -17.338 1.00 55.45 H new ATOM 0 HA ARG A 45 8.685 -0.344 -18.167 1.00 11.52 H new ATOM 0 HB2 ARG A 45 6.958 0.563 -20.516 1.00 32.32 H new ATOM 0 HB3 ARG A 45 8.709 0.504 -20.569 1.00 32.32 H new ATOM 0 HG2 ARG A 45 8.016 -1.495 -21.640 1.00 21.40 H new ATOM 0 HG3 ARG A 45 8.522 -2.013 -20.045 1.00 21.40 H new ATOM 0 HD2 ARG A 45 6.147 -2.055 -19.293 1.00 21.12 H new ATOM 0 HD3 ARG A 45 5.629 -1.506 -20.874 1.00 21.12 H new ATOM 0 HE ARG A 45 7.195 -3.884 -21.200 1.00 32.22 H new ATOM 0 HH11 ARG A 45 4.049 -2.855 -20.022 1.00 64.43 H new ATOM 0 HH12 ARG A 45 3.320 -4.433 -20.337 1.00 64.43 H new ATOM 0 HH21 ARG A 45 6.237 -5.835 -21.552 1.00 71.42 H new ATOM 0 HH22 ARG A 45 4.527 -6.075 -21.181 1.00 71.42 H new ATOM 678 N GLY A 46 9.141 1.958 -17.276 1.00 73.54 N ATOM 679 CA GLY A 46 9.461 3.297 -16.771 1.00 11.03 C ATOM 680 C GLY A 46 8.299 3.888 -15.975 1.00 70.43 C ATOM 681 O GLY A 46 8.024 3.419 -14.868 1.00 55.54 O ATOM 0 H GLY A 46 9.659 1.206 -16.822 1.00 73.54 H new ATOM 0 HA2 GLY A 46 10.348 3.246 -16.139 1.00 11.03 H new ATOM 0 HA3 GLY A 46 9.702 3.954 -17.607 1.00 11.03 H new ATOM 685 N THR A 47 7.608 4.896 -16.560 1.00 0.44 N ATOM 686 CA THR A 47 6.387 5.535 -15.996 1.00 3.41 C ATOM 687 C THR A 47 6.659 6.307 -14.670 1.00 34.40 C ATOM 688 O THR A 47 7.278 5.777 -13.733 1.00 23.13 O ATOM 689 CB THR A 47 5.217 4.501 -15.773 1.00 31.42 C ATOM 690 OG1 THR A 47 4.966 3.784 -16.989 1.00 30.04 O ATOM 691 CG2 THR A 47 3.903 5.173 -15.320 1.00 21.50 C ATOM 0 H THR A 47 7.887 5.298 -17.455 1.00 0.44 H new ATOM 0 HA THR A 47 6.077 6.259 -16.750 1.00 3.41 H new ATOM 0 HB THR A 47 5.541 3.828 -14.980 1.00 31.42 H new ATOM 0 HG1 THR A 47 5.389 2.901 -16.942 1.00 30.04 H new ATOM 0 HG21 THR A 47 3.134 4.413 -15.182 1.00 21.50 H new ATOM 0 HG22 THR A 47 4.068 5.697 -14.378 1.00 21.50 H new ATOM 0 HG23 THR A 47 3.578 5.885 -16.079 1.00 21.50 H new ATOM 699 N GLN A 48 6.169 7.562 -14.587 1.00 53.22 N ATOM 700 CA GLN A 48 6.261 8.373 -13.348 1.00 1.25 C ATOM 701 C GLN A 48 5.442 7.735 -12.199 1.00 73.23 C ATOM 702 O GLN A 48 5.952 7.578 -11.081 1.00 0.04 O ATOM 703 CB GLN A 48 5.781 9.833 -13.603 1.00 74.10 C ATOM 704 CG GLN A 48 5.835 10.754 -12.355 1.00 63.31 C ATOM 705 CD GLN A 48 5.345 12.189 -12.601 1.00 14.33 C ATOM 706 OE1 GLN A 48 4.482 12.445 -13.436 1.00 74.20 O ATOM 707 NE2 GLN A 48 5.894 13.141 -11.873 1.00 52.21 N ATOM 0 H GLN A 48 5.706 8.038 -15.361 1.00 53.22 H new ATOM 0 HA GLN A 48 7.309 8.398 -13.049 1.00 1.25 H new ATOM 0 HB2 GLN A 48 6.395 10.272 -14.390 1.00 74.10 H new ATOM 0 HB3 GLN A 48 4.757 9.806 -13.975 1.00 74.10 H new ATOM 0 HG2 GLN A 48 5.232 10.308 -11.564 1.00 63.31 H new ATOM 0 HG3 GLN A 48 6.862 10.791 -11.991 1.00 63.31 H new ATOM 0 HE21 GLN A 48 6.609 12.908 -11.184 1.00 52.21 H new ATOM 0 HE22 GLN A 48 5.603 14.111 -11.998 1.00 52.21 H new ATOM 716 N LEU A 49 4.190 7.328 -12.533 1.00 33.50 N ATOM 717 CA LEU A 49 3.143 6.911 -11.565 1.00 75.33 C ATOM 718 C LEU A 49 2.728 8.098 -10.665 1.00 3.02 C ATOM 719 O LEU A 49 3.535 8.576 -9.867 1.00 61.40 O ATOM 720 CB LEU A 49 3.566 5.683 -10.689 1.00 0.42 C ATOM 721 CG LEU A 49 3.758 4.317 -11.427 1.00 61.42 C ATOM 722 CD1 LEU A 49 4.296 3.236 -10.459 1.00 31.42 C ATOM 723 CD2 LEU A 49 2.444 3.846 -12.104 1.00 22.50 C ATOM 0 H LEU A 49 3.874 7.280 -13.502 1.00 33.50 H new ATOM 0 HA LEU A 49 2.287 6.590 -12.158 1.00 75.33 H new ATOM 0 HB2 LEU A 49 4.501 5.931 -10.187 1.00 0.42 H new ATOM 0 HB3 LEU A 49 2.814 5.546 -9.912 1.00 0.42 H new ATOM 0 HG LEU A 49 4.498 4.470 -12.213 1.00 61.42 H new ATOM 0 HD11 LEU A 49 4.421 2.296 -10.996 1.00 31.42 H new ATOM 0 HD12 LEU A 49 5.258 3.554 -10.056 1.00 31.42 H new ATOM 0 HD13 LEU A 49 3.589 3.095 -9.641 1.00 31.42 H new ATOM 0 HD21 LEU A 49 2.615 2.894 -12.607 1.00 22.50 H new ATOM 0 HD22 LEU A 49 1.669 3.723 -11.348 1.00 22.50 H new ATOM 0 HD23 LEU A 49 2.124 4.590 -12.834 1.00 22.50 H new ATOM 735 N SER A 50 1.480 8.580 -10.813 1.00 10.50 N ATOM 736 CA SER A 50 0.918 9.610 -9.902 1.00 34.12 C ATOM 737 C SER A 50 0.849 9.069 -8.459 1.00 35.35 C ATOM 738 O SER A 50 0.697 7.865 -8.254 1.00 44.23 O ATOM 739 CB SER A 50 -0.493 10.056 -10.357 1.00 3.02 C ATOM 740 OG SER A 50 -1.099 10.947 -9.424 1.00 74.21 O ATOM 0 H SER A 50 0.840 8.279 -11.548 1.00 10.50 H new ATOM 0 HA SER A 50 1.580 10.476 -9.934 1.00 34.12 H new ATOM 0 HB2 SER A 50 -0.423 10.543 -11.330 1.00 3.02 H new ATOM 0 HB3 SER A 50 -1.127 9.178 -10.484 1.00 3.02 H new ATOM 0 HG SER A 50 -1.987 11.206 -9.748 1.00 74.21 H new ATOM 746 N GLN A 51 0.956 9.972 -7.485 1.00 42.54 N ATOM 747 CA GLN A 51 0.940 9.648 -6.041 1.00 30.35 C ATOM 748 C GLN A 51 -0.344 8.865 -5.628 1.00 74.01 C ATOM 749 O GLN A 51 -0.297 7.980 -4.766 1.00 50.30 O ATOM 750 CB GLN A 51 1.095 10.972 -5.257 1.00 71.40 C ATOM 751 CG GLN A 51 1.289 10.833 -3.738 1.00 2.03 C ATOM 752 CD GLN A 51 1.514 12.182 -3.048 1.00 51.01 C ATOM 753 OE1 GLN A 51 2.087 13.108 -3.618 1.00 11.04 O ATOM 754 NE2 GLN A 51 1.058 12.311 -1.830 1.00 74.21 N ATOM 0 H GLN A 51 1.058 10.970 -7.670 1.00 42.54 H new ATOM 0 HA GLN A 51 1.769 8.981 -5.804 1.00 30.35 H new ATOM 0 HB2 GLN A 51 1.947 11.516 -5.665 1.00 71.40 H new ATOM 0 HB3 GLN A 51 0.211 11.584 -5.437 1.00 71.40 H new ATOM 0 HG2 GLN A 51 0.413 10.350 -3.306 1.00 2.03 H new ATOM 0 HG3 GLN A 51 2.141 10.182 -3.542 1.00 2.03 H new ATOM 0 HE21 GLN A 51 0.586 11.529 -1.377 1.00 74.21 H new ATOM 0 HE22 GLN A 51 1.174 13.194 -1.333 1.00 74.21 H new ATOM 763 N VAL A 52 -1.483 9.198 -6.275 1.00 4.52 N ATOM 764 CA VAL A 52 -2.756 8.444 -6.119 1.00 63.04 C ATOM 765 C VAL A 52 -2.683 7.075 -6.856 1.00 12.32 C ATOM 766 O VAL A 52 -3.054 6.039 -6.295 1.00 34.33 O ATOM 767 CB VAL A 52 -3.999 9.254 -6.658 1.00 14.33 C ATOM 768 CG1 VAL A 52 -5.329 8.550 -6.282 1.00 63.02 C ATOM 769 CG2 VAL A 52 -3.980 10.707 -6.144 1.00 5.14 C ATOM 0 H VAL A 52 -1.551 9.989 -6.915 1.00 4.52 H new ATOM 0 HA VAL A 52 -2.890 8.281 -5.050 1.00 63.04 H new ATOM 0 HB VAL A 52 -3.931 9.283 -7.745 1.00 14.33 H new ATOM 0 HG11 VAL A 52 -6.169 9.130 -6.666 1.00 63.02 H new ATOM 0 HG12 VAL A 52 -5.348 7.551 -6.718 1.00 63.02 H new ATOM 0 HG13 VAL A 52 -5.406 8.474 -5.197 1.00 63.02 H new ATOM 0 HG21 VAL A 52 -4.848 11.241 -6.531 1.00 5.14 H new ATOM 0 HG22 VAL A 52 -4.010 10.708 -5.054 1.00 5.14 H new ATOM 0 HG23 VAL A 52 -3.069 11.201 -6.483 1.00 5.14 H new ATOM 779 N GLU A 53 -2.194 7.112 -8.124 1.00 53.51 N ATOM 780 CA GLU A 53 -2.011 5.910 -8.995 1.00 33.22 C ATOM 781 C GLU A 53 -1.159 4.815 -8.325 1.00 73.04 C ATOM 782 O GLU A 53 -1.346 3.639 -8.617 1.00 24.33 O ATOM 783 CB GLU A 53 -1.374 6.316 -10.369 1.00 51.55 C ATOM 784 CG GLU A 53 -2.376 6.793 -11.446 1.00 21.11 C ATOM 785 CD GLU A 53 -3.106 5.623 -12.139 1.00 73.35 C ATOM 786 OE1 GLU A 53 -2.501 4.995 -13.041 1.00 12.52 O ATOM 787 OE2 GLU A 53 -4.260 5.311 -11.779 1.00 10.34 O ATOM 0 H GLU A 53 -1.912 7.981 -8.578 1.00 53.51 H new ATOM 0 HA GLU A 53 -3.004 5.493 -9.162 1.00 33.22 H new ATOM 0 HB2 GLU A 53 -0.648 7.110 -10.194 1.00 51.55 H new ATOM 0 HB3 GLU A 53 -0.823 5.462 -10.762 1.00 51.55 H new ATOM 0 HG2 GLU A 53 -3.111 7.453 -10.986 1.00 21.11 H new ATOM 0 HG3 GLU A 53 -1.845 7.380 -12.196 1.00 21.11 H new ATOM 794 N ILE A 54 -0.215 5.219 -7.448 1.00 23.54 N ATOM 795 CA ILE A 54 0.579 4.277 -6.638 1.00 43.31 C ATOM 796 C ILE A 54 -0.354 3.458 -5.716 1.00 62.22 C ATOM 797 O ILE A 54 -0.369 2.245 -5.801 1.00 22.45 O ATOM 798 CB ILE A 54 1.672 5.012 -5.770 1.00 21.01 C ATOM 799 CG1 ILE A 54 2.690 5.786 -6.670 1.00 22.24 C ATOM 800 CG2 ILE A 54 2.417 4.019 -4.835 1.00 41.23 C ATOM 801 CD1 ILE A 54 3.742 6.570 -5.898 1.00 3.32 C ATOM 0 H ILE A 54 0.015 6.199 -7.284 1.00 23.54 H new ATOM 0 HA ILE A 54 1.098 3.612 -7.328 1.00 43.31 H new ATOM 0 HB ILE A 54 1.151 5.738 -5.146 1.00 21.01 H new ATOM 0 HG12 ILE A 54 3.193 5.074 -7.324 1.00 22.24 H new ATOM 0 HG13 ILE A 54 2.139 6.474 -7.311 1.00 22.24 H new ATOM 0 HG21 ILE A 54 3.163 4.559 -4.251 1.00 41.23 H new ATOM 0 HG22 ILE A 54 1.702 3.547 -4.162 1.00 41.23 H new ATOM 0 HG23 ILE A 54 2.910 3.254 -5.435 1.00 41.23 H new ATOM 0 HD11 ILE A 54 4.406 7.076 -6.599 1.00 3.32 H new ATOM 0 HD12 ILE A 54 3.252 7.309 -5.264 1.00 3.32 H new ATOM 0 HD13 ILE A 54 4.322 5.887 -5.277 1.00 3.32 H new ATOM 813 N LEU A 55 -1.160 4.160 -4.889 1.00 20.15 N ATOM 814 CA LEU A 55 -2.116 3.529 -3.939 1.00 74.24 C ATOM 815 C LEU A 55 -3.104 2.575 -4.651 1.00 43.25 C ATOM 816 O LEU A 55 -3.339 1.460 -4.192 1.00 73.55 O ATOM 817 CB LEU A 55 -2.917 4.620 -3.186 1.00 10.55 C ATOM 818 CG LEU A 55 -2.096 5.597 -2.297 1.00 63.14 C ATOM 819 CD1 LEU A 55 -3.012 6.659 -1.642 1.00 51.23 C ATOM 820 CD2 LEU A 55 -1.283 4.822 -1.233 1.00 12.40 C ATOM 0 H LEU A 55 -1.170 5.179 -4.858 1.00 20.15 H new ATOM 0 HA LEU A 55 -1.526 2.941 -3.236 1.00 74.24 H new ATOM 0 HB2 LEU A 55 -3.466 5.208 -3.921 1.00 10.55 H new ATOM 0 HB3 LEU A 55 -3.657 4.126 -2.556 1.00 10.55 H new ATOM 0 HG LEU A 55 -1.389 6.124 -2.938 1.00 63.14 H new ATOM 0 HD11 LEU A 55 -2.411 7.328 -1.026 1.00 51.23 H new ATOM 0 HD12 LEU A 55 -3.515 7.235 -2.419 1.00 51.23 H new ATOM 0 HD13 LEU A 55 -3.756 6.163 -1.019 1.00 51.23 H new ATOM 0 HD21 LEU A 55 -0.717 5.526 -0.623 1.00 12.40 H new ATOM 0 HD22 LEU A 55 -1.963 4.256 -0.596 1.00 12.40 H new ATOM 0 HD23 LEU A 55 -0.595 4.137 -1.729 1.00 12.40 H new ATOM 832 N GLN A 56 -3.657 3.048 -5.777 1.00 14.14 N ATOM 833 CA GLN A 56 -4.608 2.286 -6.614 1.00 60.24 C ATOM 834 C GLN A 56 -3.934 1.046 -7.264 1.00 61.42 C ATOM 835 O GLN A 56 -4.568 -0.001 -7.422 1.00 0.13 O ATOM 836 CB GLN A 56 -5.204 3.225 -7.694 1.00 30.12 C ATOM 837 CG GLN A 56 -5.962 4.443 -7.121 1.00 44.10 C ATOM 838 CD GLN A 56 -6.431 5.446 -8.183 1.00 24.43 C ATOM 839 OE1 GLN A 56 -5.804 5.609 -9.221 1.00 64.22 O ATOM 840 NE2 GLN A 56 -7.528 6.140 -7.922 1.00 33.13 N ATOM 0 H GLN A 56 -3.457 3.980 -6.140 1.00 14.14 H new ATOM 0 HA GLN A 56 -5.410 1.912 -5.978 1.00 60.24 H new ATOM 0 HB2 GLN A 56 -4.398 3.581 -8.336 1.00 30.12 H new ATOM 0 HB3 GLN A 56 -5.883 2.651 -8.324 1.00 30.12 H new ATOM 0 HG2 GLN A 56 -6.829 4.088 -6.564 1.00 44.10 H new ATOM 0 HG3 GLN A 56 -5.316 4.958 -6.411 1.00 44.10 H new ATOM 0 HE21 GLN A 56 -8.033 5.986 -7.049 1.00 33.13 H new ATOM 0 HE22 GLN A 56 -7.868 6.829 -8.593 1.00 33.13 H new ATOM 849 N ARG A 57 -2.641 1.192 -7.633 1.00 25.52 N ATOM 850 CA ARG A 57 -1.826 0.086 -8.205 1.00 0.41 C ATOM 851 C ARG A 57 -1.438 -0.940 -7.114 1.00 20.21 C ATOM 852 O ARG A 57 -1.275 -2.125 -7.402 1.00 12.45 O ATOM 853 CB ARG A 57 -0.540 0.649 -8.882 1.00 41.41 C ATOM 854 CG ARG A 57 0.202 -0.354 -9.829 1.00 53.31 C ATOM 855 CD ARG A 57 0.184 0.074 -11.307 1.00 3.33 C ATOM 856 NE ARG A 57 -1.175 0.399 -11.774 1.00 54.40 N ATOM 857 CZ ARG A 57 -1.462 1.011 -12.901 1.00 52.44 C ATOM 858 NH1 ARG A 57 -0.543 1.292 -13.772 1.00 1.43 N ATOM 859 NH2 ARG A 57 -2.687 1.329 -13.148 1.00 32.11 N ATOM 0 H ARG A 57 -2.132 2.072 -7.545 1.00 25.52 H new ATOM 0 HA ARG A 57 -2.432 -0.420 -8.957 1.00 0.41 H new ATOM 0 HB2 ARG A 57 -0.808 1.536 -9.455 1.00 41.41 H new ATOM 0 HB3 ARG A 57 0.152 0.970 -8.103 1.00 41.41 H new ATOM 0 HG2 ARG A 57 1.236 -0.455 -9.500 1.00 53.31 H new ATOM 0 HG3 ARG A 57 -0.259 -1.337 -9.738 1.00 53.31 H new ATOM 0 HD2 ARG A 57 0.830 0.942 -11.440 1.00 3.33 H new ATOM 0 HD3 ARG A 57 0.596 -0.727 -11.921 1.00 3.33 H new ATOM 0 HE ARG A 57 -1.955 0.128 -11.175 1.00 54.40 H new ATOM 0 HH11 ARG A 57 0.428 1.037 -13.589 1.00 1.43 H new ATOM 0 HH12 ARG A 57 -0.791 1.768 -14.640 1.00 1.43 H new ATOM 0 HH21 ARG A 57 -3.418 1.105 -12.473 1.00 32.11 H new ATOM 0 HH22 ARG A 57 -2.925 1.804 -14.019 1.00 32.11 H new ATOM 873 N VAL A 58 -1.278 -0.456 -5.867 1.00 64.33 N ATOM 874 CA VAL A 58 -0.986 -1.310 -4.697 1.00 74.12 C ATOM 875 C VAL A 58 -2.222 -2.155 -4.322 1.00 43.52 C ATOM 876 O VAL A 58 -2.084 -3.342 -4.067 1.00 25.11 O ATOM 877 CB VAL A 58 -0.486 -0.467 -3.458 1.00 24.12 C ATOM 878 CG1 VAL A 58 -0.336 -1.338 -2.189 1.00 64.13 C ATOM 879 CG2 VAL A 58 0.854 0.241 -3.772 1.00 3.14 C ATOM 0 H VAL A 58 -1.347 0.536 -5.642 1.00 64.33 H new ATOM 0 HA VAL A 58 -0.174 -1.981 -4.977 1.00 74.12 H new ATOM 0 HB VAL A 58 -1.248 0.287 -3.262 1.00 24.12 H new ATOM 0 HG11 VAL A 58 0.010 -0.719 -1.361 1.00 64.13 H new ATOM 0 HG12 VAL A 58 -1.300 -1.779 -1.934 1.00 64.13 H new ATOM 0 HG13 VAL A 58 0.388 -2.131 -2.376 1.00 64.13 H new ATOM 0 HG21 VAL A 58 1.175 0.814 -2.902 1.00 3.14 H new ATOM 0 HG22 VAL A 58 1.611 -0.504 -4.015 1.00 3.14 H new ATOM 0 HG23 VAL A 58 0.721 0.913 -4.620 1.00 3.14 H new ATOM 889 N ILE A 59 -3.424 -1.539 -4.309 1.00 60.42 N ATOM 890 CA ILE A 59 -4.703 -2.269 -4.089 1.00 53.15 C ATOM 891 C ILE A 59 -4.880 -3.365 -5.172 1.00 10.43 C ATOM 892 O ILE A 59 -5.123 -4.519 -4.845 1.00 64.02 O ATOM 893 CB ILE A 59 -5.941 -1.293 -4.102 1.00 65.51 C ATOM 894 CG1 ILE A 59 -5.818 -0.232 -2.957 1.00 10.11 C ATOM 895 CG2 ILE A 59 -7.288 -2.068 -3.995 1.00 3.35 C ATOM 896 CD1 ILE A 59 -6.906 0.829 -2.961 1.00 32.21 C ATOM 0 H ILE A 59 -3.541 -0.535 -4.448 1.00 60.42 H new ATOM 0 HA ILE A 59 -4.656 -2.733 -3.104 1.00 53.15 H new ATOM 0 HB ILE A 59 -5.940 -0.773 -5.060 1.00 65.51 H new ATOM 0 HG12 ILE A 59 -5.835 -0.748 -1.997 1.00 10.11 H new ATOM 0 HG13 ILE A 59 -4.848 0.260 -3.037 1.00 10.11 H new ATOM 0 HG21 ILE A 59 -8.117 -1.360 -4.007 1.00 3.35 H new ATOM 0 HG22 ILE A 59 -7.382 -2.752 -4.838 1.00 3.35 H new ATOM 0 HG23 ILE A 59 -7.309 -2.635 -3.064 1.00 3.35 H new ATOM 0 HD11 ILE A 59 -6.742 1.521 -2.135 1.00 32.21 H new ATOM 0 HD12 ILE A 59 -6.878 1.376 -3.904 1.00 32.21 H new ATOM 0 HD13 ILE A 59 -7.880 0.352 -2.847 1.00 32.21 H new ATOM 908 N ASP A 60 -4.711 -2.959 -6.451 1.00 3.53 N ATOM 909 CA ASP A 60 -4.692 -3.861 -7.638 1.00 50.14 C ATOM 910 C ASP A 60 -3.742 -5.070 -7.417 1.00 50.44 C ATOM 911 O ASP A 60 -4.103 -6.228 -7.659 1.00 75.34 O ATOM 912 CB ASP A 60 -4.241 -3.014 -8.869 1.00 3.41 C ATOM 913 CG ASP A 60 -4.029 -3.816 -10.169 1.00 33.21 C ATOM 914 OD1 ASP A 60 -4.989 -3.968 -10.954 1.00 34.13 O ATOM 915 OD2 ASP A 60 -2.900 -4.288 -10.420 1.00 1.34 O ATOM 0 H ASP A 60 -4.581 -1.978 -6.698 1.00 3.53 H new ATOM 0 HA ASP A 60 -5.686 -4.275 -7.806 1.00 50.14 H new ATOM 0 HB2 ASP A 60 -4.988 -2.242 -9.054 1.00 3.41 H new ATOM 0 HB3 ASP A 60 -3.311 -2.504 -8.619 1.00 3.41 H new ATOM 920 N TYR A 61 -2.534 -4.755 -6.931 1.00 31.35 N ATOM 921 CA TYR A 61 -1.477 -5.735 -6.625 1.00 3.21 C ATOM 922 C TYR A 61 -1.885 -6.707 -5.480 1.00 61.41 C ATOM 923 O TYR A 61 -1.617 -7.907 -5.562 1.00 5.35 O ATOM 924 CB TYR A 61 -0.172 -4.971 -6.274 1.00 51.21 C ATOM 925 CG TYR A 61 0.960 -5.856 -5.750 1.00 70.43 C ATOM 926 CD1 TYR A 61 1.723 -6.642 -6.616 1.00 13.24 C ATOM 927 CD2 TYR A 61 1.255 -5.918 -4.385 1.00 63.53 C ATOM 928 CE1 TYR A 61 2.734 -7.446 -6.140 1.00 70.14 C ATOM 929 CE2 TYR A 61 2.262 -6.718 -3.921 1.00 25.22 C ATOM 930 CZ TYR A 61 2.999 -7.478 -4.796 1.00 5.53 C ATOM 931 OH TYR A 61 4.005 -8.273 -4.321 1.00 21.50 O ATOM 0 H TYR A 61 -2.256 -3.793 -6.735 1.00 31.35 H new ATOM 0 HA TYR A 61 -1.315 -6.357 -7.505 1.00 3.21 H new ATOM 0 HB2 TYR A 61 0.177 -4.445 -7.163 1.00 51.21 H new ATOM 0 HB3 TYR A 61 -0.400 -4.213 -5.525 1.00 51.21 H new ATOM 0 HD1 TYR A 61 1.517 -6.619 -7.676 1.00 13.24 H new ATOM 0 HD2 TYR A 61 0.680 -5.326 -3.688 1.00 63.53 H new ATOM 0 HE1 TYR A 61 3.315 -8.048 -6.822 1.00 70.14 H new ATOM 0 HE2 TYR A 61 2.479 -6.752 -2.863 1.00 25.22 H new ATOM 0 HH TYR A 61 4.868 -7.837 -4.479 1.00 21.50 H new ATOM 941 N ILE A 62 -2.517 -6.180 -4.412 1.00 45.45 N ATOM 942 CA ILE A 62 -2.959 -7.002 -3.254 1.00 43.43 C ATOM 943 C ILE A 62 -4.175 -7.893 -3.644 1.00 10.14 C ATOM 944 O ILE A 62 -4.365 -8.968 -3.080 1.00 15.01 O ATOM 945 CB ILE A 62 -3.288 -6.114 -1.981 1.00 70.12 C ATOM 946 CG1 ILE A 62 -2.057 -5.228 -1.583 1.00 12.51 C ATOM 947 CG2 ILE A 62 -3.711 -6.989 -0.768 1.00 30.11 C ATOM 948 CD1 ILE A 62 -2.321 -4.248 -0.444 1.00 21.03 C ATOM 0 H ILE A 62 -2.736 -5.188 -4.322 1.00 45.45 H new ATOM 0 HA ILE A 62 -2.128 -7.652 -2.981 1.00 43.43 H new ATOM 0 HB ILE A 62 -4.123 -5.467 -2.250 1.00 70.12 H new ATOM 0 HG12 ILE A 62 -1.233 -5.882 -1.298 1.00 12.51 H new ATOM 0 HG13 ILE A 62 -1.731 -4.667 -2.459 1.00 12.51 H new ATOM 0 HG21 ILE A 62 -3.929 -6.347 0.086 1.00 30.11 H new ATOM 0 HG22 ILE A 62 -4.601 -7.563 -1.026 1.00 30.11 H new ATOM 0 HG23 ILE A 62 -2.901 -7.671 -0.511 1.00 30.11 H new ATOM 0 HD11 ILE A 62 -1.415 -3.678 -0.237 1.00 21.03 H new ATOM 0 HD12 ILE A 62 -3.122 -3.566 -0.729 1.00 21.03 H new ATOM 0 HD13 ILE A 62 -2.615 -4.799 0.449 1.00 21.03 H new ATOM 960 N LEU A 63 -4.967 -7.443 -4.638 1.00 40.13 N ATOM 961 CA LEU A 63 -6.053 -8.259 -5.241 1.00 2.15 C ATOM 962 C LEU A 63 -5.466 -9.459 -6.028 1.00 74.14 C ATOM 963 O LEU A 63 -6.068 -10.532 -6.082 1.00 24.21 O ATOM 964 CB LEU A 63 -6.937 -7.385 -6.173 1.00 34.10 C ATOM 965 CG LEU A 63 -7.705 -6.204 -5.493 1.00 54.41 C ATOM 966 CD1 LEU A 63 -8.487 -5.371 -6.533 1.00 61.14 C ATOM 967 CD2 LEU A 63 -8.622 -6.705 -4.352 1.00 54.12 C ATOM 0 H LEU A 63 -4.878 -6.513 -5.046 1.00 40.13 H new ATOM 0 HA LEU A 63 -6.674 -8.647 -4.434 1.00 2.15 H new ATOM 0 HB2 LEU A 63 -6.303 -6.974 -6.959 1.00 34.10 H new ATOM 0 HB3 LEU A 63 -7.667 -8.033 -6.659 1.00 34.10 H new ATOM 0 HG LEU A 63 -6.963 -5.546 -5.041 1.00 54.41 H new ATOM 0 HD11 LEU A 63 -9.010 -4.558 -6.029 1.00 61.14 H new ATOM 0 HD12 LEU A 63 -7.793 -4.958 -7.264 1.00 61.14 H new ATOM 0 HD13 LEU A 63 -9.211 -6.009 -7.040 1.00 61.14 H new ATOM 0 HD21 LEU A 63 -9.140 -5.858 -3.903 1.00 54.12 H new ATOM 0 HD22 LEU A 63 -9.354 -7.405 -4.754 1.00 54.12 H new ATOM 0 HD23 LEU A 63 -8.019 -7.206 -3.594 1.00 54.12 H new ATOM 979 N ASP A 64 -4.280 -9.245 -6.638 1.00 71.01 N ATOM 980 CA ASP A 64 -3.496 -10.311 -7.305 1.00 41.21 C ATOM 981 C ASP A 64 -2.945 -11.330 -6.262 1.00 14.14 C ATOM 982 O ASP A 64 -2.913 -12.536 -6.522 1.00 22.04 O ATOM 983 CB ASP A 64 -2.344 -9.672 -8.129 1.00 34.41 C ATOM 984 CG ASP A 64 -1.456 -10.697 -8.855 1.00 63.45 C ATOM 985 OD1 ASP A 64 -1.849 -11.181 -9.938 1.00 33.21 O ATOM 986 OD2 ASP A 64 -0.368 -11.039 -8.338 1.00 74.32 O ATOM 0 H ASP A 64 -3.837 -8.327 -6.683 1.00 71.01 H new ATOM 0 HA ASP A 64 -4.148 -10.861 -7.984 1.00 41.21 H new ATOM 0 HB2 ASP A 64 -2.771 -8.990 -8.864 1.00 34.41 H new ATOM 0 HB3 ASP A 64 -1.722 -9.074 -7.463 1.00 34.41 H new ATOM 991 N LEU A 65 -2.508 -10.819 -5.087 1.00 54.33 N ATOM 992 CA LEU A 65 -2.024 -11.662 -3.959 1.00 74.23 C ATOM 993 C LEU A 65 -3.169 -12.528 -3.378 1.00 24.20 C ATOM 994 O LEU A 65 -3.006 -13.728 -3.152 1.00 2.42 O ATOM 995 CB LEU A 65 -1.419 -10.781 -2.826 1.00 64.30 C ATOM 996 CG LEU A 65 -0.250 -9.827 -3.232 1.00 42.22 C ATOM 997 CD1 LEU A 65 0.250 -9.010 -2.019 1.00 33.15 C ATOM 998 CD2 LEU A 65 0.906 -10.596 -3.916 1.00 44.10 C ATOM 0 H LEU A 65 -2.479 -9.818 -4.891 1.00 54.33 H new ATOM 0 HA LEU A 65 -1.249 -12.319 -4.355 1.00 74.23 H new ATOM 0 HB2 LEU A 65 -2.220 -10.177 -2.400 1.00 64.30 H new ATOM 0 HB3 LEU A 65 -1.062 -11.441 -2.035 1.00 64.30 H new ATOM 0 HG LEU A 65 -0.642 -9.123 -3.966 1.00 42.22 H new ATOM 0 HD11 LEU A 65 1.063 -8.355 -2.332 1.00 33.15 H new ATOM 0 HD12 LEU A 65 -0.568 -8.409 -1.623 1.00 33.15 H new ATOM 0 HD13 LEU A 65 0.608 -9.689 -1.245 1.00 33.15 H new ATOM 0 HD21 LEU A 65 1.699 -9.898 -4.183 1.00 44.10 H new ATOM 0 HD22 LEU A 65 1.299 -11.347 -3.231 1.00 44.10 H new ATOM 0 HD23 LEU A 65 0.535 -11.085 -4.816 1.00 44.10 H new ATOM 1010 N GLN A 66 -4.324 -11.880 -3.158 1.00 44.23 N ATOM 1011 CA GLN A 66 -5.539 -12.505 -2.572 1.00 40.40 C ATOM 1012 C GLN A 66 -6.402 -13.210 -3.649 1.00 43.32 C ATOM 1013 O GLN A 66 -6.125 -13.117 -4.850 1.00 14.45 O ATOM 1014 CB GLN A 66 -6.388 -11.415 -1.843 1.00 63.20 C ATOM 1015 CG GLN A 66 -5.715 -10.748 -0.608 1.00 22.03 C ATOM 1016 CD GLN A 66 -5.645 -11.637 0.646 1.00 52.51 C ATOM 1017 OE1 GLN A 66 -5.567 -12.859 0.581 1.00 62.31 O ATOM 1018 NE2 GLN A 66 -5.668 -11.029 1.814 1.00 22.12 N ATOM 0 H GLN A 66 -4.450 -10.893 -3.382 1.00 44.23 H new ATOM 0 HA GLN A 66 -5.215 -13.264 -1.860 1.00 40.40 H new ATOM 0 HB2 GLN A 66 -6.639 -10.635 -2.562 1.00 63.20 H new ATOM 0 HB3 GLN A 66 -7.327 -11.867 -1.522 1.00 63.20 H new ATOM 0 HG2 GLN A 66 -4.703 -10.448 -0.881 1.00 22.03 H new ATOM 0 HG3 GLN A 66 -6.262 -9.838 -0.361 1.00 22.03 H new ATOM 0 HE21 GLN A 66 -5.733 -10.012 1.858 1.00 22.12 H new ATOM 0 HE22 GLN A 66 -5.621 -11.575 2.674 1.00 22.12 H new ATOM 1431 N ASP B 27 -10.662 13.404 0.468 1.00 62.31 N ATOM 1432 CA ASP B 27 -9.536 13.075 -0.408 1.00 0.14 C ATOM 1433 C ASP B 27 -9.959 11.898 -1.294 1.00 31.51 C ATOM 1434 O ASP B 27 -10.504 10.905 -0.797 1.00 10.12 O ATOM 1435 CB ASP B 27 -8.275 12.657 0.394 1.00 52.34 C ATOM 1436 CG ASP B 27 -7.672 13.786 1.219 1.00 23.15 C ATOM 1437 OD1 ASP B 27 -6.937 14.618 0.643 1.00 74.21 O ATOM 1438 OD2 ASP B 27 -7.924 13.852 2.443 1.00 3.54 O ATOM 0 HA ASP B 27 -9.283 13.959 -0.993 1.00 0.14 H new ATOM 0 HB2 ASP B 27 -8.534 11.832 1.058 1.00 52.34 H new ATOM 0 HB3 ASP B 27 -7.522 12.283 -0.299 1.00 52.34 H new ATOM 1443 N ASP B 28 -9.707 12.021 -2.593 1.00 3.41 N ATOM 1444 CA ASP B 28 -9.758 10.884 -3.547 1.00 63.41 C ATOM 1445 C ASP B 28 -8.798 9.749 -3.072 1.00 33.13 C ATOM 1446 O ASP B 28 -9.095 8.554 -3.193 1.00 14.05 O ATOM 1447 CB ASP B 28 -9.370 11.391 -4.967 1.00 54.44 C ATOM 1448 CG ASP B 28 -9.592 10.342 -6.075 1.00 24.24 C ATOM 1449 OD1 ASP B 28 -8.679 9.536 -6.347 1.00 21.21 O ATOM 1450 OD2 ASP B 28 -10.690 10.318 -6.670 1.00 14.21 O ATOM 0 H ASP B 28 -9.459 12.909 -3.030 1.00 3.41 H new ATOM 0 HA ASP B 28 -10.768 10.475 -3.586 1.00 63.41 H new ATOM 0 HB2 ASP B 28 -9.954 12.282 -5.198 1.00 54.44 H new ATOM 0 HB3 ASP B 28 -8.322 11.689 -4.964 1.00 54.44 H new ATOM 1455 N MET B 29 -7.665 10.178 -2.475 1.00 64.04 N ATOM 1456 CA MET B 29 -6.629 9.289 -1.912 1.00 0.30 C ATOM 1457 C MET B 29 -7.143 8.508 -0.673 1.00 11.21 C ATOM 1458 O MET B 29 -6.711 7.389 -0.431 1.00 20.14 O ATOM 1459 CB MET B 29 -5.381 10.125 -1.519 1.00 44.13 C ATOM 1460 CG MET B 29 -4.870 11.060 -2.625 1.00 21.44 C ATOM 1461 SD MET B 29 -3.246 11.769 -2.267 1.00 12.41 S ATOM 1462 CE MET B 29 -2.228 10.294 -2.259 1.00 20.55 C ATOM 0 H MET B 29 -7.442 11.168 -2.370 1.00 64.04 H new ATOM 0 HA MET B 29 -6.367 8.560 -2.679 1.00 0.30 H new ATOM 0 HB2 MET B 29 -5.620 10.721 -0.638 1.00 44.13 H new ATOM 0 HB3 MET B 29 -4.578 9.445 -1.235 1.00 44.13 H new ATOM 0 HG2 MET B 29 -4.819 10.508 -3.563 1.00 21.44 H new ATOM 0 HG3 MET B 29 -5.588 11.868 -2.769 1.00 21.44 H new ATOM 0 HE1 MET B 29 -1.216 10.552 -1.947 1.00 20.55 H new ATOM 0 HE2 MET B 29 -2.647 9.566 -1.564 1.00 20.55 H new ATOM 0 HE3 MET B 29 -2.201 9.865 -3.261 1.00 20.55 H new ATOM 1472 N ASN B 30 -8.073 9.129 0.099 1.00 10.23 N ATOM 1473 CA ASN B 30 -8.651 8.541 1.344 1.00 75.11 C ATOM 1474 C ASN B 30 -9.453 7.251 1.039 1.00 55.42 C ATOM 1475 O ASN B 30 -9.448 6.313 1.836 1.00 4.52 O ATOM 1476 CB ASN B 30 -9.543 9.588 2.071 1.00 31.22 C ATOM 1477 CG ASN B 30 -10.177 9.074 3.372 1.00 3.13 C ATOM 1478 OD1 ASN B 30 -9.578 9.149 4.442 1.00 14.41 O ATOM 1479 ND2 ASN B 30 -11.393 8.554 3.295 1.00 33.42 N ATOM 0 H ASN B 30 -8.446 10.052 -0.122 1.00 10.23 H new ATOM 0 HA ASN B 30 -7.827 8.267 2.003 1.00 75.11 H new ATOM 0 HB2 ASN B 30 -8.942 10.469 2.295 1.00 31.22 H new ATOM 0 HB3 ASN B 30 -10.336 9.907 1.394 1.00 31.22 H new ATOM 0 HD21 ASN B 30 -11.853 8.205 4.136 1.00 33.42 H new ATOM 0 HD22 ASN B 30 -11.870 8.503 2.395 1.00 33.42 H new ATOM 1486 N HIS B 31 -10.136 7.233 -0.121 1.00 5.24 N ATOM 1487 CA HIS B 31 -10.868 6.039 -0.619 1.00 12.10 C ATOM 1488 C HIS B 31 -9.898 4.862 -0.920 1.00 73.13 C ATOM 1489 O HIS B 31 -10.259 3.690 -0.757 1.00 25.22 O ATOM 1490 CB HIS B 31 -11.704 6.414 -1.872 1.00 35.43 C ATOM 1491 CG HIS B 31 -12.805 7.408 -1.583 1.00 72.12 C ATOM 1492 ND1 HIS B 31 -13.999 7.004 -1.036 1.00 14.12 N ATOM 1493 CD2 HIS B 31 -12.837 8.755 -1.748 1.00 0.45 C ATOM 1494 CE1 HIS B 31 -14.719 8.095 -0.880 1.00 64.25 C ATOM 1495 NE2 HIS B 31 -14.060 9.184 -1.298 1.00 15.30 N ATOM 0 H HIS B 31 -10.200 8.040 -0.742 1.00 5.24 H new ATOM 0 HA HIS B 31 -11.547 5.701 0.164 1.00 12.10 H new ATOM 0 HB2 HIS B 31 -11.041 6.828 -2.632 1.00 35.43 H new ATOM 0 HB3 HIS B 31 -12.143 5.509 -2.291 1.00 35.43 H new ATOM 0 HD2 HIS B 31 -12.050 9.372 -2.156 1.00 0.45 H new ATOM 0 HE1 HIS B 31 -15.717 8.110 -0.467 1.00 64.25 H new ATOM 0 HE2 HIS B 31 -14.401 10.145 -1.284 1.00 15.30 H new ATOM 1503 N CYS B 32 -8.664 5.197 -1.346 1.00 64.44 N ATOM 1504 CA CYS B 32 -7.576 4.208 -1.544 1.00 63.21 C ATOM 1505 C CYS B 32 -7.009 3.722 -0.179 1.00 74.03 C ATOM 1506 O CYS B 32 -6.837 2.517 0.041 1.00 23.45 O ATOM 1507 CB CYS B 32 -6.450 4.823 -2.401 1.00 60.43 C ATOM 1508 SG CYS B 32 -6.994 5.447 -4.010 1.00 23.41 S ATOM 0 H CYS B 32 -8.390 6.155 -1.563 1.00 64.44 H new ATOM 0 HA CYS B 32 -7.990 3.345 -2.066 1.00 63.21 H new ATOM 0 HB2 CYS B 32 -5.991 5.640 -1.844 1.00 60.43 H new ATOM 0 HB3 CYS B 32 -5.677 4.071 -2.559 1.00 60.43 H new ATOM 0 HG CYS B 32 -6.033 6.129 -4.559 1.00 23.41 H new ATOM 1514 N TYR B 33 -6.746 4.692 0.732 1.00 5.13 N ATOM 1515 CA TYR B 33 -6.268 4.433 2.120 1.00 52.13 C ATOM 1516 C TYR B 33 -7.253 3.555 2.925 1.00 44.32 C ATOM 1517 O TYR B 33 -6.838 2.811 3.820 1.00 34.12 O ATOM 1518 CB TYR B 33 -6.018 5.775 2.877 1.00 33.12 C ATOM 1519 CG TYR B 33 -4.690 6.471 2.528 1.00 23.23 C ATOM 1520 CD1 TYR B 33 -3.481 5.856 2.834 1.00 54.33 C ATOM 1521 CD2 TYR B 33 -4.639 7.739 1.939 1.00 72.13 C ATOM 1522 CE1 TYR B 33 -2.278 6.463 2.572 1.00 23.41 C ATOM 1523 CE2 TYR B 33 -3.431 8.353 1.665 1.00 54.30 C ATOM 1524 CZ TYR B 33 -2.253 7.712 1.985 1.00 2.41 C ATOM 1525 OH TYR B 33 -1.049 8.331 1.730 1.00 43.32 O ATOM 0 H TYR B 33 -6.859 5.684 0.526 1.00 5.13 H new ATOM 0 HA TYR B 33 -5.330 3.885 2.032 1.00 52.13 H new ATOM 0 HB2 TYR B 33 -6.839 6.458 2.659 1.00 33.12 H new ATOM 0 HB3 TYR B 33 -6.041 5.581 3.949 1.00 33.12 H new ATOM 0 HD1 TYR B 33 -3.489 4.877 3.289 1.00 54.33 H new ATOM 0 HD2 TYR B 33 -5.560 8.247 1.694 1.00 72.13 H new ATOM 0 HE1 TYR B 33 -1.354 5.965 2.824 1.00 23.41 H new ATOM 0 HE2 TYR B 33 -3.410 9.329 1.203 1.00 54.30 H new ATOM 0 HH TYR B 33 -0.814 8.214 0.786 1.00 43.32 H new ATOM 1535 N SER B 34 -8.553 3.678 2.597 1.00 13.51 N ATOM 1536 CA SER B 34 -9.630 2.881 3.219 1.00 34.21 C ATOM 1537 C SER B 34 -9.396 1.372 3.002 1.00 12.32 C ATOM 1538 O SER B 34 -9.306 0.608 3.965 1.00 1.32 O ATOM 1539 CB SER B 34 -11.011 3.304 2.655 1.00 54.54 C ATOM 1540 OG SER B 34 -12.075 2.620 3.304 1.00 41.44 O ATOM 0 H SER B 34 -8.888 4.334 1.892 1.00 13.51 H new ATOM 0 HA SER B 34 -9.619 3.073 4.292 1.00 34.21 H new ATOM 0 HB2 SER B 34 -11.141 4.379 2.778 1.00 54.54 H new ATOM 0 HB3 SER B 34 -11.046 3.099 1.585 1.00 54.54 H new ATOM 0 HG SER B 34 -12.069 1.677 3.037 1.00 41.44 H new ATOM 1546 N ARG B 35 -9.235 0.969 1.721 1.00 3.05 N ATOM 1547 CA ARG B 35 -9.005 -0.447 1.341 1.00 34.34 C ATOM 1548 C ARG B 35 -7.618 -0.965 1.755 1.00 71.21 C ATOM 1549 O ARG B 35 -7.455 -2.171 1.934 1.00 1.24 O ATOM 1550 CB ARG B 35 -9.295 -0.695 -0.178 1.00 11.52 C ATOM 1551 CG ARG B 35 -10.740 -1.177 -0.453 1.00 70.41 C ATOM 1552 CD ARG B 35 -11.003 -2.586 0.128 1.00 11.14 C ATOM 1553 NE ARG B 35 -12.427 -2.959 0.084 1.00 1.32 N ATOM 1554 CZ ARG B 35 -12.964 -4.004 0.687 1.00 33.22 C ATOM 1555 NH1 ARG B 35 -12.238 -4.852 1.357 1.00 74.14 N ATOM 1556 NH2 ARG B 35 -14.236 -4.195 0.602 1.00 73.52 N ATOM 0 H ARG B 35 -9.260 1.608 0.927 1.00 3.05 H new ATOM 0 HA ARG B 35 -9.725 -1.035 1.910 1.00 34.34 H new ATOM 0 HB2 ARG B 35 -9.115 0.227 -0.731 1.00 11.52 H new ATOM 0 HB3 ARG B 35 -8.593 -1.437 -0.559 1.00 11.52 H new ATOM 0 HG2 ARG B 35 -11.447 -0.469 -0.020 1.00 70.41 H new ATOM 0 HG3 ARG B 35 -10.919 -1.189 -1.528 1.00 70.41 H new ATOM 0 HD2 ARG B 35 -10.421 -3.320 -0.430 1.00 11.14 H new ATOM 0 HD3 ARG B 35 -10.654 -2.621 1.160 1.00 11.14 H new ATOM 0 HE ARG B 35 -13.051 -2.360 -0.457 1.00 1.32 H new ATOM 0 HH11 ARG B 35 -11.229 -4.717 1.425 1.00 74.14 H new ATOM 0 HH12 ARG B 35 -12.678 -5.651 1.814 1.00 74.14 H new ATOM 0 HH21 ARG B 35 -14.815 -3.543 0.074 1.00 73.52 H new ATOM 0 HH22 ARG B 35 -14.663 -4.998 1.063 1.00 73.52 H new ATOM 1570 N LEU B 36 -6.628 -0.068 1.917 1.00 44.31 N ATOM 1571 CA LEU B 36 -5.340 -0.442 2.545 1.00 40.15 C ATOM 1572 C LEU B 36 -5.591 -0.926 3.995 1.00 53.04 C ATOM 1573 O LEU B 36 -5.238 -2.045 4.348 1.00 42.05 O ATOM 1574 CB LEU B 36 -4.337 0.738 2.528 1.00 22.11 C ATOM 1575 CG LEU B 36 -3.931 1.282 1.117 1.00 4.35 C ATOM 1576 CD1 LEU B 36 -2.899 2.427 1.232 1.00 13.02 C ATOM 1577 CD2 LEU B 36 -3.414 0.149 0.188 1.00 52.22 C ATOM 0 H LEU B 36 -6.689 0.908 1.628 1.00 44.31 H new ATOM 0 HA LEU B 36 -4.897 -1.252 1.967 1.00 40.15 H new ATOM 0 HB2 LEU B 36 -4.766 1.560 3.101 1.00 22.11 H new ATOM 0 HB3 LEU B 36 -3.431 0.425 3.048 1.00 22.11 H new ATOM 0 HG LEU B 36 -4.832 1.690 0.658 1.00 4.35 H new ATOM 0 HD11 LEU B 36 -2.638 2.783 0.235 1.00 13.02 H new ATOM 0 HD12 LEU B 36 -3.328 3.246 1.809 1.00 13.02 H new ATOM 0 HD13 LEU B 36 -2.003 2.060 1.733 1.00 13.02 H new ATOM 0 HD21 LEU B 36 -3.143 0.568 -0.781 1.00 52.22 H new ATOM 0 HD22 LEU B 36 -2.539 -0.320 0.638 1.00 52.22 H new ATOM 0 HD23 LEU B 36 -4.197 -0.597 0.054 1.00 52.22 H new ATOM 1589 N ARG B 37 -6.293 -0.093 4.792 1.00 1.34 N ATOM 1590 CA ARG B 37 -6.694 -0.430 6.186 1.00 73.04 C ATOM 1591 C ARG B 37 -7.610 -1.685 6.266 1.00 24.22 C ATOM 1592 O ARG B 37 -7.663 -2.351 7.305 1.00 3.33 O ATOM 1593 CB ARG B 37 -7.393 0.777 6.843 1.00 4.25 C ATOM 1594 CG ARG B 37 -6.450 1.968 7.093 1.00 0.05 C ATOM 1595 CD ARG B 37 -7.144 3.121 7.815 1.00 12.02 C ATOM 1596 NE ARG B 37 -7.658 2.732 9.152 1.00 3.13 N ATOM 1597 CZ ARG B 37 -8.851 3.030 9.640 1.00 33.20 C ATOM 1598 NH1 ARG B 37 -9.729 3.667 8.938 1.00 2.43 N ATOM 1599 NH2 ARG B 37 -9.165 2.668 10.837 1.00 62.43 N ATOM 0 H ARG B 37 -6.600 0.833 4.493 1.00 1.34 H new ATOM 0 HA ARG B 37 -5.780 -0.670 6.729 1.00 73.04 H new ATOM 0 HB2 ARG B 37 -8.216 1.102 6.206 1.00 4.25 H new ATOM 0 HB3 ARG B 37 -7.829 0.463 7.791 1.00 4.25 H new ATOM 0 HG2 ARG B 37 -5.597 1.634 7.684 1.00 0.05 H new ATOM 0 HG3 ARG B 37 -6.058 2.323 6.140 1.00 0.05 H new ATOM 0 HD2 ARG B 37 -6.444 3.949 7.926 1.00 12.02 H new ATOM 0 HD3 ARG B 37 -7.971 3.483 7.203 1.00 12.02 H new ATOM 0 HE ARG B 37 -7.036 2.186 9.748 1.00 3.13 H new ATOM 0 HH11 ARG B 37 -9.509 3.952 7.984 1.00 2.43 H new ATOM 0 HH12 ARG B 37 -10.642 3.884 9.338 1.00 2.43 H new ATOM 0 HH21 ARG B 37 -8.494 2.153 11.406 1.00 62.43 H new ATOM 0 HH22 ARG B 37 -10.084 2.897 11.214 1.00 62.43 H new ATOM 1613 N GLU B 38 -8.324 -1.998 5.163 1.00 5.25 N ATOM 1614 CA GLU B 38 -9.254 -3.159 5.105 1.00 34.05 C ATOM 1615 C GLU B 38 -8.520 -4.471 4.702 1.00 32.00 C ATOM 1616 O GLU B 38 -9.000 -5.570 5.003 1.00 4.02 O ATOM 1617 CB GLU B 38 -10.424 -2.860 4.118 1.00 62.14 C ATOM 1618 CG GLU B 38 -11.368 -1.715 4.568 1.00 10.51 C ATOM 1619 CD GLU B 38 -12.448 -1.360 3.526 1.00 34.43 C ATOM 1620 OE1 GLU B 38 -13.501 -2.033 3.495 1.00 52.11 O ATOM 1621 OE2 GLU B 38 -12.252 -0.413 2.733 1.00 33.21 O ATOM 0 H GLU B 38 -8.277 -1.464 4.295 1.00 5.25 H new ATOM 0 HA GLU B 38 -9.660 -3.310 6.105 1.00 34.05 H new ATOM 0 HB2 GLU B 38 -10.005 -2.607 3.144 1.00 62.14 H new ATOM 0 HB3 GLU B 38 -11.012 -3.768 3.986 1.00 62.14 H new ATOM 0 HG2 GLU B 38 -11.855 -2.002 5.500 1.00 10.51 H new ATOM 0 HG3 GLU B 38 -10.773 -0.827 4.779 1.00 10.51 H new ATOM 1628 N LEU B 39 -7.356 -4.348 4.029 1.00 51.43 N ATOM 1629 CA LEU B 39 -6.581 -5.515 3.513 1.00 42.42 C ATOM 1630 C LEU B 39 -5.295 -5.802 4.335 1.00 11.52 C ATOM 1631 O LEU B 39 -4.483 -6.651 3.939 1.00 4.54 O ATOM 1632 CB LEU B 39 -6.230 -5.289 2.012 1.00 50.35 C ATOM 1633 CG LEU B 39 -7.447 -5.262 1.018 1.00 23.31 C ATOM 1634 CD1 LEU B 39 -6.998 -4.881 -0.414 1.00 73.20 C ATOM 1635 CD2 LEU B 39 -8.214 -6.611 1.031 1.00 25.41 C ATOM 0 H LEU B 39 -6.923 -3.447 3.825 1.00 51.43 H new ATOM 0 HA LEU B 39 -7.215 -6.395 3.618 1.00 42.42 H new ATOM 0 HB2 LEU B 39 -5.692 -4.345 1.923 1.00 50.35 H new ATOM 0 HB3 LEU B 39 -5.546 -6.077 1.697 1.00 50.35 H new ATOM 0 HG LEU B 39 -8.135 -4.489 1.361 1.00 23.31 H new ATOM 0 HD11 LEU B 39 -7.864 -4.872 -1.076 1.00 73.20 H new ATOM 0 HD12 LEU B 39 -6.540 -3.892 -0.401 1.00 73.20 H new ATOM 0 HD13 LEU B 39 -6.273 -5.611 -0.774 1.00 73.20 H new ATOM 0 HD21 LEU B 39 -9.050 -6.561 0.333 1.00 25.41 H new ATOM 0 HD22 LEU B 39 -7.541 -7.415 0.734 1.00 25.41 H new ATOM 0 HD23 LEU B 39 -8.591 -6.806 2.035 1.00 25.41 H new ATOM 1647 N VAL B 40 -5.105 -5.116 5.485 1.00 65.11 N ATOM 1648 CA VAL B 40 -3.957 -5.387 6.402 1.00 75.03 C ATOM 1649 C VAL B 40 -4.436 -5.950 7.778 1.00 32.41 C ATOM 1650 O VAL B 40 -5.088 -5.231 8.547 1.00 34.03 O ATOM 1651 CB VAL B 40 -3.067 -4.110 6.656 1.00 10.11 C ATOM 1652 CG1 VAL B 40 -1.815 -4.472 7.496 1.00 72.11 C ATOM 1653 CG2 VAL B 40 -2.667 -3.427 5.326 1.00 25.24 C ATOM 0 H VAL B 40 -5.725 -4.372 5.806 1.00 65.11 H new ATOM 0 HA VAL B 40 -3.350 -6.136 5.893 1.00 75.03 H new ATOM 0 HB VAL B 40 -3.663 -3.395 7.224 1.00 10.11 H new ATOM 0 HG11 VAL B 40 -1.215 -3.577 7.659 1.00 72.11 H new ATOM 0 HG12 VAL B 40 -2.127 -4.880 8.457 1.00 72.11 H new ATOM 0 HG13 VAL B 40 -1.221 -5.214 6.963 1.00 72.11 H new ATOM 0 HG21 VAL B 40 -2.054 -2.551 5.537 1.00 25.24 H new ATOM 0 HG22 VAL B 40 -2.099 -4.128 4.713 1.00 25.24 H new ATOM 0 HG23 VAL B 40 -3.565 -3.121 4.790 1.00 25.24 H new ATOM 1663 N PRO B 41 -4.134 -7.253 8.102 1.00 22.11 N ATOM 1664 CA PRO B 41 -4.417 -7.848 9.442 1.00 2.52 C ATOM 1665 C PRO B 41 -3.319 -7.552 10.512 1.00 33.33 C ATOM 1666 O PRO B 41 -3.538 -7.792 11.707 1.00 10.54 O ATOM 1667 CB PRO B 41 -4.484 -9.360 9.113 1.00 21.13 C ATOM 1668 CG PRO B 41 -3.487 -9.541 8.005 1.00 55.52 C ATOM 1669 CD PRO B 41 -3.549 -8.268 7.176 1.00 43.32 C ATOM 0 HA PRO B 41 -5.320 -7.436 9.893 1.00 2.52 H new ATOM 0 HB2 PRO B 41 -4.229 -9.968 9.981 1.00 21.13 H new ATOM 0 HB3 PRO B 41 -5.485 -9.655 8.800 1.00 21.13 H new ATOM 0 HG2 PRO B 41 -2.485 -9.699 8.403 1.00 55.52 H new ATOM 0 HG3 PRO B 41 -3.731 -10.414 7.399 1.00 55.52 H new ATOM 0 HD2 PRO B 41 -2.559 -7.969 6.832 1.00 43.32 H new ATOM 0 HD3 PRO B 41 -4.168 -8.401 6.289 1.00 43.32 H new ATOM 1677 N GLY B 42 -2.149 -7.028 10.072 1.00 60.42 N ATOM 1678 CA GLY B 42 -1.014 -6.726 10.974 1.00 55.43 C ATOM 1679 C GLY B 42 -1.095 -5.329 11.597 1.00 12.11 C ATOM 1680 O GLY B 42 -0.171 -4.515 11.457 1.00 33.35 O ATOM 0 H GLY B 42 -1.968 -6.805 9.093 1.00 60.42 H new ATOM 0 HA2 GLY B 42 -0.982 -7.470 11.770 1.00 55.43 H new ATOM 0 HA3 GLY B 42 -0.081 -6.815 10.417 1.00 55.43 H new ATOM 1684 N VAL B 43 -2.228 -5.049 12.271 1.00 73.23 N ATOM 1685 CA VAL B 43 -2.519 -3.741 12.918 1.00 64.54 C ATOM 1686 C VAL B 43 -3.122 -3.978 14.339 1.00 12.52 C ATOM 1687 O VAL B 43 -3.910 -4.920 14.513 1.00 63.32 O ATOM 1688 CB VAL B 43 -3.547 -2.886 12.053 1.00 13.32 C ATOM 1689 CG1 VAL B 43 -3.883 -1.521 12.711 1.00 10.32 C ATOM 1690 CG2 VAL B 43 -3.042 -2.675 10.604 1.00 52.00 C ATOM 0 H VAL B 43 -2.980 -5.729 12.386 1.00 73.23 H new ATOM 0 HA VAL B 43 -1.583 -3.188 12.994 1.00 64.54 H new ATOM 0 HB VAL B 43 -4.467 -3.469 12.014 1.00 13.32 H new ATOM 0 HG11 VAL B 43 -4.587 -0.977 12.082 1.00 10.32 H new ATOM 0 HG12 VAL B 43 -4.328 -1.690 13.692 1.00 10.32 H new ATOM 0 HG13 VAL B 43 -2.970 -0.936 12.822 1.00 10.32 H new ATOM 0 HG21 VAL B 43 -3.771 -2.087 10.046 1.00 52.00 H new ATOM 0 HG22 VAL B 43 -2.089 -2.146 10.624 1.00 52.00 H new ATOM 0 HG23 VAL B 43 -2.910 -3.643 10.120 1.00 52.00 H new ATOM 1700 N PRO B 44 -2.737 -3.159 15.388 1.00 64.02 N ATOM 1701 CA PRO B 44 -3.465 -3.139 16.693 1.00 72.33 C ATOM 1702 C PRO B 44 -4.995 -2.874 16.526 1.00 72.31 C ATOM 1703 O PRO B 44 -5.429 -2.211 15.582 1.00 40.23 O ATOM 1704 CB PRO B 44 -2.769 -1.991 17.477 1.00 10.22 C ATOM 1705 CG PRO B 44 -1.388 -1.918 16.888 1.00 74.11 C ATOM 1706 CD PRO B 44 -1.547 -2.259 15.416 1.00 52.45 C ATOM 0 HA PRO B 44 -3.417 -4.100 17.204 1.00 72.33 H new ATOM 0 HB2 PRO B 44 -3.302 -1.048 17.357 1.00 10.22 H new ATOM 0 HB3 PRO B 44 -2.734 -2.204 18.545 1.00 10.22 H new ATOM 0 HG2 PRO B 44 -0.961 -0.923 17.015 1.00 74.11 H new ATOM 0 HG3 PRO B 44 -0.715 -2.619 17.381 1.00 74.11 H new ATOM 0 HD2 PRO B 44 -1.707 -1.365 14.813 1.00 52.45 H new ATOM 0 HD3 PRO B 44 -0.660 -2.755 15.022 1.00 52.45 H new ATOM 1714 N ARG B 45 -5.803 -3.409 17.446 1.00 52.32 N ATOM 1715 CA ARG B 45 -7.283 -3.364 17.348 1.00 2.35 C ATOM 1716 C ARG B 45 -7.844 -2.074 17.986 1.00 72.40 C ATOM 1717 O ARG B 45 -8.866 -1.541 17.533 1.00 10.14 O ATOM 1718 CB ARG B 45 -7.913 -4.635 17.992 1.00 71.42 C ATOM 1719 CG ARG B 45 -7.595 -5.961 17.241 1.00 11.13 C ATOM 1720 CD ARG B 45 -6.132 -6.439 17.402 1.00 62.53 C ATOM 1721 NE ARG B 45 -5.774 -7.471 16.418 1.00 42.31 N ATOM 1722 CZ ARG B 45 -4.567 -7.980 16.252 1.00 13.41 C ATOM 1723 NH1 ARG B 45 -3.575 -7.629 17.010 1.00 24.41 N ATOM 1724 NH2 ARG B 45 -4.361 -8.830 15.305 1.00 63.12 N ATOM 0 H ARG B 45 -5.461 -3.886 18.280 1.00 52.32 H new ATOM 0 HA ARG B 45 -7.555 -3.351 16.292 1.00 2.35 H new ATOM 0 HB2 ARG B 45 -7.560 -4.720 19.020 1.00 71.42 H new ATOM 0 HB3 ARG B 45 -8.995 -4.507 18.036 1.00 71.42 H new ATOM 0 HG2 ARG B 45 -8.264 -6.742 17.604 1.00 11.13 H new ATOM 0 HG3 ARG B 45 -7.808 -5.826 16.181 1.00 11.13 H new ATOM 0 HD2 ARG B 45 -5.460 -5.588 17.295 1.00 62.53 H new ATOM 0 HD3 ARG B 45 -5.989 -6.833 18.408 1.00 62.53 H new ATOM 0 HE ARG B 45 -6.518 -7.822 15.815 1.00 42.31 H new ATOM 0 HH11 ARG B 45 -3.718 -6.946 17.754 1.00 24.41 H new ATOM 0 HH12 ARG B 45 -2.651 -8.036 16.862 1.00 24.41 H new ATOM 0 HH21 ARG B 45 -5.127 -9.105 14.691 1.00 63.12 H new ATOM 0 HH22 ARG B 45 -3.432 -9.228 15.170 1.00 63.12 H new ATOM 1738 N GLY B 46 -7.165 -1.585 19.042 1.00 64.41 N ATOM 1739 CA GLY B 46 -7.472 -0.282 19.647 1.00 51.13 C ATOM 1740 C GLY B 46 -6.566 0.837 19.110 1.00 71.01 C ATOM 1741 O GLY B 46 -5.771 1.415 19.859 1.00 44.30 O ATOM 0 H GLY B 46 -6.396 -2.080 19.493 1.00 64.41 H new ATOM 0 HA2 GLY B 46 -8.514 -0.029 19.451 1.00 51.13 H new ATOM 0 HA3 GLY B 46 -7.359 -0.350 20.729 1.00 51.13 H new ATOM 1745 N THR B 47 -6.671 1.129 17.798 1.00 45.23 N ATOM 1746 CA THR B 47 -5.866 2.200 17.140 1.00 34.41 C ATOM 1747 C THR B 47 -6.591 2.790 15.913 1.00 42.14 C ATOM 1748 O THR B 47 -7.543 2.203 15.382 1.00 20.35 O ATOM 1749 CB THR B 47 -4.447 1.685 16.679 1.00 32.33 C ATOM 1750 OG1 THR B 47 -3.587 2.797 16.393 1.00 3.30 O ATOM 1751 CG2 THR B 47 -4.508 0.796 15.429 1.00 41.04 C ATOM 0 H THR B 47 -7.305 0.642 17.164 1.00 45.23 H new ATOM 0 HA THR B 47 -5.737 2.974 17.897 1.00 34.41 H new ATOM 0 HB THR B 47 -4.059 1.088 17.504 1.00 32.33 H new ATOM 0 HG1 THR B 47 -2.709 2.467 16.110 1.00 3.30 H new ATOM 0 HG21 THR B 47 -3.501 0.474 15.162 1.00 41.04 H new ATOM 0 HG22 THR B 47 -5.126 -0.078 15.634 1.00 41.04 H new ATOM 0 HG23 THR B 47 -4.940 1.360 14.602 1.00 41.04 H new ATOM 1759 N GLN B 48 -6.101 3.956 15.470 1.00 4.42 N ATOM 1760 CA GLN B 48 -6.466 4.571 14.173 1.00 4.33 C ATOM 1761 C GLN B 48 -5.233 4.576 13.214 1.00 2.44 C ATOM 1762 O GLN B 48 -5.395 4.680 11.988 1.00 54.42 O ATOM 1763 CB GLN B 48 -6.984 6.016 14.415 1.00 54.15 C ATOM 1764 CG GLN B 48 -7.454 6.764 13.146 1.00 12.20 C ATOM 1765 CD GLN B 48 -7.901 8.204 13.400 1.00 22.54 C ATOM 1766 OE1 GLN B 48 -8.419 8.543 14.461 1.00 41.15 O ATOM 1767 NE2 GLN B 48 -7.695 9.071 12.435 1.00 30.52 N ATOM 0 H GLN B 48 -5.432 4.510 16.004 1.00 4.42 H new ATOM 0 HA GLN B 48 -7.257 3.988 13.703 1.00 4.33 H new ATOM 0 HB2 GLN B 48 -7.813 5.975 15.122 1.00 54.15 H new ATOM 0 HB3 GLN B 48 -6.191 6.596 14.887 1.00 54.15 H new ATOM 0 HG2 GLN B 48 -6.642 6.770 12.419 1.00 12.20 H new ATOM 0 HG3 GLN B 48 -8.280 6.212 12.697 1.00 12.20 H new ATOM 0 HE21 GLN B 48 -7.263 8.769 11.562 1.00 30.52 H new ATOM 0 HE22 GLN B 48 -7.967 10.046 12.559 1.00 30.52 H new ATOM 1776 N LEU B 49 -4.018 4.425 13.812 1.00 23.01 N ATOM 1777 CA LEU B 49 -2.698 4.596 13.140 1.00 73.44 C ATOM 1778 C LEU B 49 -2.424 6.078 12.770 1.00 34.31 C ATOM 1779 O LEU B 49 -3.274 6.963 12.942 1.00 40.55 O ATOM 1780 CB LEU B 49 -2.529 3.699 11.866 1.00 42.21 C ATOM 1781 CG LEU B 49 -2.570 2.153 12.074 1.00 0.13 C ATOM 1782 CD1 LEU B 49 -2.507 1.418 10.716 1.00 14.14 C ATOM 1783 CD2 LEU B 49 -1.436 1.680 13.021 1.00 34.31 C ATOM 0 H LEU B 49 -3.927 4.175 14.797 1.00 23.01 H new ATOM 0 HA LEU B 49 -1.963 4.268 13.875 1.00 73.44 H new ATOM 0 HB2 LEU B 49 -3.314 3.966 11.158 1.00 42.21 H new ATOM 0 HB3 LEU B 49 -1.578 3.952 11.398 1.00 42.21 H new ATOM 0 HG LEU B 49 -3.518 1.903 12.551 1.00 0.13 H new ATOM 0 HD11 LEU B 49 -2.537 0.341 10.883 1.00 14.14 H new ATOM 0 HD12 LEU B 49 -3.358 1.714 10.102 1.00 14.14 H new ATOM 0 HD13 LEU B 49 -1.582 1.680 10.203 1.00 14.14 H new ATOM 0 HD21 LEU B 49 -1.493 0.599 13.145 1.00 34.31 H new ATOM 0 HD22 LEU B 49 -0.470 1.946 12.593 1.00 34.31 H new ATOM 0 HD23 LEU B 49 -1.548 2.163 13.992 1.00 34.31 H new ATOM 1795 N SER B 50 -1.195 6.333 12.298 1.00 73.22 N ATOM 1796 CA SER B 50 -0.827 7.603 11.630 1.00 11.14 C ATOM 1797 C SER B 50 -0.756 7.383 10.100 1.00 43.23 C ATOM 1798 O SER B 50 -0.790 6.236 9.631 1.00 30.40 O ATOM 1799 CB SER B 50 0.520 8.126 12.181 1.00 13.32 C ATOM 1800 OG SER B 50 0.920 9.336 11.548 1.00 15.42 O ATOM 0 H SER B 50 -0.424 5.669 12.366 1.00 73.22 H new ATOM 0 HA SER B 50 -1.588 8.356 11.837 1.00 11.14 H new ATOM 0 HB2 SER B 50 0.433 8.290 13.255 1.00 13.32 H new ATOM 0 HB3 SER B 50 1.290 7.369 12.035 1.00 13.32 H new ATOM 0 HG SER B 50 1.774 9.635 11.924 1.00 15.42 H new ATOM 1806 N GLN B 51 -0.657 8.486 9.330 1.00 71.45 N ATOM 1807 CA GLN B 51 -0.655 8.454 7.840 1.00 22.32 C ATOM 1808 C GLN B 51 0.455 7.530 7.261 1.00 31.22 C ATOM 1809 O GLN B 51 0.188 6.677 6.403 1.00 52.52 O ATOM 1810 CB GLN B 51 -0.525 9.915 7.266 1.00 72.34 C ATOM 1811 CG GLN B 51 -1.818 10.506 6.642 1.00 13.25 C ATOM 1812 CD GLN B 51 -2.268 9.829 5.329 1.00 75.41 C ATOM 1813 OE1 GLN B 51 -2.070 8.638 5.107 1.00 55.21 O ATOM 1814 NE2 GLN B 51 -2.873 10.591 4.440 1.00 23.51 N ATOM 0 H GLN B 51 -0.576 9.427 9.716 1.00 71.45 H new ATOM 0 HA GLN B 51 -1.607 8.028 7.524 1.00 22.32 H new ATOM 0 HB2 GLN B 51 -0.196 10.574 8.069 1.00 72.34 H new ATOM 0 HB3 GLN B 51 0.259 9.920 6.508 1.00 72.34 H new ATOM 0 HG2 GLN B 51 -2.625 10.428 7.370 1.00 13.25 H new ATOM 0 HG3 GLN B 51 -1.661 11.568 6.452 1.00 13.25 H new ATOM 0 HE21 GLN B 51 -3.031 11.579 4.638 1.00 23.51 H new ATOM 0 HE22 GLN B 51 -3.183 10.193 3.554 1.00 23.51 H new ATOM 1823 N VAL B 52 1.696 7.708 7.745 1.00 40.12 N ATOM 1824 CA VAL B 52 2.862 6.927 7.267 1.00 24.33 C ATOM 1825 C VAL B 52 2.784 5.455 7.757 1.00 2.35 C ATOM 1826 O VAL B 52 3.212 4.536 7.050 1.00 15.31 O ATOM 1827 CB VAL B 52 4.215 7.597 7.712 1.00 72.42 C ATOM 1828 CG1 VAL B 52 5.438 6.854 7.129 1.00 0.22 C ATOM 1829 CG2 VAL B 52 4.239 9.099 7.326 1.00 44.04 C ATOM 0 H VAL B 52 1.923 8.388 8.470 1.00 40.12 H new ATOM 0 HA VAL B 52 2.835 6.921 6.177 1.00 24.33 H new ATOM 0 HB VAL B 52 4.278 7.523 8.798 1.00 72.42 H new ATOM 0 HG11 VAL B 52 6.353 7.346 7.458 1.00 0.22 H new ATOM 0 HG12 VAL B 52 5.436 5.821 7.477 1.00 0.22 H new ATOM 0 HG13 VAL B 52 5.389 6.870 6.040 1.00 0.22 H new ATOM 0 HG21 VAL B 52 5.183 9.541 7.643 1.00 44.04 H new ATOM 0 HG22 VAL B 52 4.137 9.199 6.245 1.00 44.04 H new ATOM 0 HG23 VAL B 52 3.414 9.614 7.818 1.00 44.04 H new ATOM 1839 N GLU B 53 2.214 5.257 8.972 1.00 34.23 N ATOM 1840 CA GLU B 53 1.933 3.912 9.532 1.00 51.03 C ATOM 1841 C GLU B 53 1.013 3.081 8.616 1.00 5.24 C ATOM 1842 O GLU B 53 1.241 1.892 8.459 1.00 64.12 O ATOM 1843 CB GLU B 53 1.325 4.007 10.972 1.00 31.15 C ATOM 1844 CG GLU B 53 2.364 4.095 12.109 1.00 30.00 C ATOM 1845 CD GLU B 53 3.264 2.844 12.170 1.00 62.32 C ATOM 1846 OE1 GLU B 53 2.792 1.788 12.641 1.00 1.03 O ATOM 1847 OE2 GLU B 53 4.429 2.897 11.726 1.00 53.23 O ATOM 0 H GLU B 53 1.938 6.021 9.588 1.00 34.23 H new ATOM 0 HA GLU B 53 2.891 3.396 9.595 1.00 51.03 H new ATOM 0 HB2 GLU B 53 0.679 4.883 11.021 1.00 31.15 H new ATOM 0 HB3 GLU B 53 0.694 3.135 11.143 1.00 31.15 H new ATOM 0 HG2 GLU B 53 2.984 4.980 11.966 1.00 30.00 H new ATOM 0 HG3 GLU B 53 1.849 4.217 13.062 1.00 30.00 H new ATOM 1854 N ILE B 54 -0.019 3.719 8.022 1.00 23.12 N ATOM 1855 CA ILE B 54 -0.940 3.051 7.065 1.00 64.12 C ATOM 1856 C ILE B 54 -0.154 2.416 5.890 1.00 63.43 C ATOM 1857 O ILE B 54 -0.311 1.224 5.607 1.00 63.00 O ATOM 1858 CB ILE B 54 -2.031 4.051 6.511 1.00 43.31 C ATOM 1859 CG1 ILE B 54 -2.954 4.570 7.668 1.00 51.32 C ATOM 1860 CG2 ILE B 54 -2.867 3.406 5.368 1.00 22.12 C ATOM 1861 CD1 ILE B 54 -4.010 5.584 7.241 1.00 64.34 C ATOM 0 H ILE B 54 -0.239 4.701 8.187 1.00 23.12 H new ATOM 0 HA ILE B 54 -1.453 2.260 7.612 1.00 64.12 H new ATOM 0 HB ILE B 54 -1.509 4.909 6.087 1.00 43.31 H new ATOM 0 HG12 ILE B 54 -3.455 3.716 8.124 1.00 51.32 H new ATOM 0 HG13 ILE B 54 -2.328 5.021 8.438 1.00 51.32 H new ATOM 0 HG21 ILE B 54 -3.608 4.121 5.011 1.00 22.12 H new ATOM 0 HG22 ILE B 54 -2.206 3.127 4.547 1.00 22.12 H new ATOM 0 HG23 ILE B 54 -3.373 2.517 5.745 1.00 22.12 H new ATOM 0 HD11 ILE B 54 -4.598 5.884 8.108 1.00 64.34 H new ATOM 0 HD12 ILE B 54 -3.522 6.460 6.814 1.00 64.34 H new ATOM 0 HD13 ILE B 54 -4.666 5.134 6.495 1.00 64.34 H new ATOM 1873 N LEU B 55 0.717 3.221 5.247 1.00 75.43 N ATOM 1874 CA LEU B 55 1.576 2.756 4.137 1.00 63.52 C ATOM 1875 C LEU B 55 2.514 1.613 4.577 1.00 10.31 C ATOM 1876 O LEU B 55 2.622 0.605 3.889 1.00 50.21 O ATOM 1877 CB LEU B 55 2.415 3.924 3.553 1.00 40.01 C ATOM 1878 CG LEU B 55 1.625 5.072 2.850 1.00 34.45 C ATOM 1879 CD1 LEU B 55 2.591 6.116 2.237 1.00 61.13 C ATOM 1880 CD2 LEU B 55 0.657 4.511 1.783 1.00 52.21 C ATOM 0 H LEU B 55 0.845 4.206 5.480 1.00 75.43 H new ATOM 0 HA LEU B 55 0.910 2.374 3.363 1.00 63.52 H new ATOM 0 HB2 LEU B 55 3.001 4.360 4.362 1.00 40.01 H new ATOM 0 HB3 LEU B 55 3.123 3.509 2.835 1.00 40.01 H new ATOM 0 HG LEU B 55 1.025 5.577 3.607 1.00 34.45 H new ATOM 0 HD11 LEU B 55 2.015 6.905 1.753 1.00 61.13 H new ATOM 0 HD12 LEU B 55 3.208 6.548 3.025 1.00 61.13 H new ATOM 0 HD13 LEU B 55 3.231 5.631 1.500 1.00 61.13 H new ATOM 0 HD21 LEU B 55 0.120 5.334 1.310 1.00 52.21 H new ATOM 0 HD22 LEU B 55 1.224 3.966 1.028 1.00 52.21 H new ATOM 0 HD23 LEU B 55 -0.057 3.837 2.257 1.00 52.21 H new ATOM 1892 N GLN B 56 3.178 1.790 5.734 1.00 72.02 N ATOM 1893 CA GLN B 56 4.150 0.811 6.269 1.00 64.44 C ATOM 1894 C GLN B 56 3.498 -0.524 6.685 1.00 20.12 C ATOM 1895 O GLN B 56 4.130 -1.572 6.556 1.00 12.23 O ATOM 1896 CB GLN B 56 4.986 1.413 7.425 1.00 73.30 C ATOM 1897 CG GLN B 56 5.970 2.512 6.964 1.00 70.22 C ATOM 1898 CD GLN B 56 6.963 2.958 8.037 1.00 1.11 C ATOM 1899 OE1 GLN B 56 7.335 2.193 8.923 1.00 64.51 O ATOM 1900 NE2 GLN B 56 7.438 4.186 7.940 1.00 44.14 N ATOM 0 H GLN B 56 3.058 2.613 6.325 1.00 72.02 H new ATOM 0 HA GLN B 56 4.827 0.579 5.447 1.00 64.44 H new ATOM 0 HB2 GLN B 56 4.311 1.830 8.172 1.00 73.30 H new ATOM 0 HB3 GLN B 56 5.547 0.615 7.912 1.00 73.30 H new ATOM 0 HG2 GLN B 56 6.526 2.147 6.101 1.00 70.22 H new ATOM 0 HG3 GLN B 56 5.399 3.379 6.632 1.00 70.22 H new ATOM 0 HE21 GLN B 56 7.112 4.801 7.195 1.00 44.14 H new ATOM 0 HE22 GLN B 56 8.131 4.519 8.610 1.00 44.14 H new ATOM 1909 N ARG B 57 2.245 -0.493 7.187 1.00 75.45 N ATOM 1910 CA ARG B 57 1.504 -1.737 7.516 1.00 34.32 C ATOM 1911 C ARG B 57 1.242 -2.564 6.232 1.00 14.44 C ATOM 1912 O ARG B 57 1.270 -3.795 6.262 1.00 3.24 O ATOM 1913 CB ARG B 57 0.162 -1.445 8.250 1.00 42.21 C ATOM 1914 CG ARG B 57 0.263 -0.787 9.652 1.00 21.21 C ATOM 1915 CD ARG B 57 1.365 -1.381 10.570 1.00 51.11 C ATOM 1916 NE ARG B 57 2.533 -0.476 10.679 1.00 5.21 N ATOM 1917 CZ ARG B 57 3.784 -0.769 10.386 1.00 14.53 C ATOM 1918 NH1 ARG B 57 4.107 -1.903 9.838 1.00 34.40 N ATOM 1919 NH2 ARG B 57 4.703 0.111 10.606 1.00 64.53 N ATOM 0 H ARG B 57 1.728 0.366 7.373 1.00 75.45 H new ATOM 0 HA ARG B 57 2.129 -2.315 8.197 1.00 34.32 H new ATOM 0 HB2 ARG B 57 -0.440 -0.797 7.613 1.00 42.21 H new ATOM 0 HB3 ARG B 57 -0.381 -2.385 8.353 1.00 42.21 H new ATOM 0 HG2 ARG B 57 0.451 0.279 9.525 1.00 21.21 H new ATOM 0 HG3 ARG B 57 -0.700 -0.884 10.154 1.00 21.21 H new ATOM 0 HD2 ARG B 57 0.953 -1.564 11.562 1.00 51.11 H new ATOM 0 HD3 ARG B 57 1.687 -2.345 10.176 1.00 51.11 H new ATOM 0 HE ARG B 57 2.350 0.470 11.015 1.00 5.21 H new ATOM 0 HH11 ARG B 57 3.384 -2.591 9.625 1.00 34.40 H new ATOM 0 HH12 ARG B 57 5.083 -2.105 9.621 1.00 34.40 H new ATOM 0 HH21 ARG B 57 4.456 1.018 11.001 1.00 64.53 H new ATOM 0 HH22 ARG B 57 5.676 -0.101 10.384 1.00 64.53 H new ATOM 1933 N VAL B 58 0.995 -1.853 5.116 1.00 31.14 N ATOM 1934 CA VAL B 58 0.868 -2.458 3.774 1.00 43.45 C ATOM 1935 C VAL B 58 2.234 -3.021 3.287 1.00 4.54 C ATOM 1936 O VAL B 58 2.296 -4.135 2.764 1.00 52.23 O ATOM 1937 CB VAL B 58 0.316 -1.405 2.743 1.00 0.41 C ATOM 1938 CG1 VAL B 58 0.200 -1.994 1.324 1.00 5.12 C ATOM 1939 CG2 VAL B 58 -1.039 -0.829 3.215 1.00 53.25 C ATOM 0 H VAL B 58 0.877 -0.840 5.118 1.00 31.14 H new ATOM 0 HA VAL B 58 0.161 -3.285 3.843 1.00 43.45 H new ATOM 0 HB VAL B 58 1.038 -0.590 2.696 1.00 0.41 H new ATOM 0 HG11 VAL B 58 -0.185 -1.233 0.645 1.00 5.12 H new ATOM 0 HG12 VAL B 58 1.183 -2.320 0.984 1.00 5.12 H new ATOM 0 HG13 VAL B 58 -0.480 -2.846 1.338 1.00 5.12 H new ATOM 0 HG21 VAL B 58 -1.400 -0.104 2.486 1.00 53.25 H new ATOM 0 HG22 VAL B 58 -1.764 -1.637 3.312 1.00 53.25 H new ATOM 0 HG23 VAL B 58 -0.910 -0.339 4.180 1.00 53.25 H new ATOM 1949 N ILE B 59 3.314 -2.236 3.484 1.00 13.13 N ATOM 1950 CA ILE B 59 4.691 -2.604 3.061 1.00 24.52 C ATOM 1951 C ILE B 59 5.162 -3.913 3.741 1.00 73.30 C ATOM 1952 O ILE B 59 5.504 -4.866 3.054 1.00 22.34 O ATOM 1953 CB ILE B 59 5.713 -1.435 3.362 1.00 65.15 C ATOM 1954 CG1 ILE B 59 5.365 -0.167 2.519 1.00 32.01 C ATOM 1955 CG2 ILE B 59 7.185 -1.866 3.113 1.00 50.15 C ATOM 1956 CD1 ILE B 59 6.155 1.073 2.888 1.00 21.25 C ATOM 0 H ILE B 59 3.260 -1.326 3.942 1.00 13.13 H new ATOM 0 HA ILE B 59 4.663 -2.770 1.984 1.00 24.52 H new ATOM 0 HB ILE B 59 5.620 -1.192 4.420 1.00 65.15 H new ATOM 0 HG12 ILE B 59 5.535 -0.390 1.466 1.00 32.01 H new ATOM 0 HG13 ILE B 59 4.302 0.048 2.632 1.00 32.01 H new ATOM 0 HG21 ILE B 59 7.851 -1.031 3.333 1.00 50.15 H new ATOM 0 HG22 ILE B 59 7.432 -2.707 3.760 1.00 50.15 H new ATOM 0 HG23 ILE B 59 7.306 -2.162 2.071 1.00 50.15 H new ATOM 0 HD11 ILE B 59 5.847 1.903 2.252 1.00 21.25 H new ATOM 0 HD12 ILE B 59 5.968 1.327 3.931 1.00 21.25 H new ATOM 0 HD13 ILE B 59 7.219 0.882 2.746 1.00 21.25 H new ATOM 1968 N ASP B 60 5.149 -3.938 5.088 1.00 45.11 N ATOM 1969 CA ASP B 60 5.579 -5.113 5.894 1.00 31.31 C ATOM 1970 C ASP B 60 4.688 -6.363 5.660 1.00 53.53 C ATOM 1971 O ASP B 60 5.171 -7.503 5.753 1.00 24.44 O ATOM 1972 CB ASP B 60 5.621 -4.730 7.396 1.00 44.12 C ATOM 1973 CG ASP B 60 6.693 -3.668 7.695 1.00 74.33 C ATOM 1974 OD1 ASP B 60 7.889 -3.969 7.512 1.00 73.12 O ATOM 1975 OD2 ASP B 60 6.354 -2.539 8.107 1.00 31.32 O ATOM 0 H ASP B 60 4.841 -3.147 5.654 1.00 45.11 H new ATOM 0 HA ASP B 60 6.580 -5.390 5.563 1.00 31.31 H new ATOM 0 HB2 ASP B 60 4.644 -4.354 7.701 1.00 44.12 H new ATOM 0 HB3 ASP B 60 5.819 -5.621 7.991 1.00 44.12 H new ATOM 1980 N TYR B 61 3.394 -6.130 5.369 1.00 41.53 N ATOM 1981 CA TYR B 61 2.450 -7.190 4.935 1.00 23.24 C ATOM 1982 C TYR B 61 2.960 -7.878 3.642 1.00 5.03 C ATOM 1983 O TYR B 61 3.129 -9.103 3.597 1.00 4.23 O ATOM 1984 CB TYR B 61 1.037 -6.576 4.707 1.00 13.33 C ATOM 1985 CG TYR B 61 -0.012 -7.527 4.090 1.00 52.54 C ATOM 1986 CD1 TYR B 61 -0.599 -8.545 4.847 1.00 1.44 C ATOM 1987 CD2 TYR B 61 -0.419 -7.397 2.751 1.00 43.13 C ATOM 1988 CE1 TYR B 61 -1.545 -9.391 4.301 1.00 22.22 C ATOM 1989 CE2 TYR B 61 -1.366 -8.245 2.207 1.00 50.41 C ATOM 1990 CZ TYR B 61 -1.925 -9.238 2.987 1.00 30.24 C ATOM 1991 OH TYR B 61 -2.873 -10.085 2.451 1.00 25.32 O ATOM 0 H TYR B 61 2.969 -5.204 5.427 1.00 41.53 H new ATOM 0 HA TYR B 61 2.385 -7.946 5.717 1.00 23.24 H new ATOM 0 HB2 TYR B 61 0.658 -6.217 5.664 1.00 13.33 H new ATOM 0 HB3 TYR B 61 1.139 -5.706 4.058 1.00 13.33 H new ATOM 0 HD1 TYR B 61 -0.307 -8.673 5.879 1.00 1.44 H new ATOM 0 HD2 TYR B 61 0.015 -6.622 2.137 1.00 43.13 H new ATOM 0 HE1 TYR B 61 -1.986 -10.171 4.904 1.00 22.22 H new ATOM 0 HE2 TYR B 61 -1.667 -8.131 1.176 1.00 50.41 H new ATOM 0 HH TYR B 61 -3.033 -9.846 1.514 1.00 25.32 H new ATOM 2001 N ILE B 62 3.217 -7.054 2.612 1.00 12.30 N ATOM 2002 CA ILE B 62 3.685 -7.511 1.290 1.00 51.43 C ATOM 2003 C ILE B 62 5.102 -8.151 1.369 1.00 60.11 C ATOM 2004 O ILE B 62 5.331 -9.193 0.769 1.00 61.32 O ATOM 2005 CB ILE B 62 3.661 -6.324 0.253 1.00 71.34 C ATOM 2006 CG1 ILE B 62 2.197 -5.791 0.045 1.00 71.33 C ATOM 2007 CG2 ILE B 62 4.288 -6.738 -1.095 1.00 75.52 C ATOM 2008 CD1 ILE B 62 2.087 -4.543 -0.825 1.00 11.42 C ATOM 0 H ILE B 62 3.105 -6.042 2.673 1.00 12.30 H new ATOM 0 HA ILE B 62 2.999 -8.285 0.947 1.00 51.43 H new ATOM 0 HB ILE B 62 4.265 -5.516 0.665 1.00 71.34 H new ATOM 0 HG12 ILE B 62 1.598 -6.583 -0.404 1.00 71.33 H new ATOM 0 HG13 ILE B 62 1.762 -5.576 1.021 1.00 71.33 H new ATOM 0 HG21 ILE B 62 4.255 -5.896 -1.786 1.00 75.52 H new ATOM 0 HG22 ILE B 62 5.324 -7.037 -0.938 1.00 75.52 H new ATOM 0 HG23 ILE B 62 3.729 -7.574 -1.515 1.00 75.52 H new ATOM 0 HD11 ILE B 62 1.040 -4.251 -0.911 1.00 11.42 H new ATOM 0 HD12 ILE B 62 2.654 -3.731 -0.370 1.00 11.42 H new ATOM 0 HD13 ILE B 62 2.487 -4.754 -1.817 1.00 11.42 H new ATOM 2020 N LEU B 63 6.026 -7.521 2.132 1.00 2.12 N ATOM 2021 CA LEU B 63 7.406 -8.034 2.364 1.00 62.01 C ATOM 2022 C LEU B 63 7.398 -9.484 2.886 1.00 62.33 C ATOM 2023 O LEU B 63 8.126 -10.339 2.383 1.00 41.34 O ATOM 2024 CB LEU B 63 8.165 -7.123 3.378 1.00 61.23 C ATOM 2025 CG LEU B 63 8.621 -5.728 2.853 1.00 31.01 C ATOM 2026 CD1 LEU B 63 9.229 -4.872 3.990 1.00 5.52 C ATOM 2027 CD2 LEU B 63 9.613 -5.885 1.680 1.00 34.53 C ATOM 0 H LEU B 63 5.839 -6.638 2.608 1.00 2.12 H new ATOM 0 HA LEU B 63 7.919 -8.019 1.402 1.00 62.01 H new ATOM 0 HB2 LEU B 63 7.522 -6.968 4.245 1.00 61.23 H new ATOM 0 HB3 LEU B 63 9.046 -7.661 3.727 1.00 61.23 H new ATOM 0 HG LEU B 63 7.741 -5.202 2.483 1.00 31.01 H new ATOM 0 HD11 LEU B 63 9.537 -3.905 3.592 1.00 5.52 H new ATOM 0 HD12 LEU B 63 8.484 -4.722 4.771 1.00 5.52 H new ATOM 0 HD13 LEU B 63 10.095 -5.385 4.409 1.00 5.52 H new ATOM 0 HD21 LEU B 63 9.919 -4.900 1.328 1.00 34.53 H new ATOM 0 HD22 LEU B 63 10.490 -6.439 2.016 1.00 34.53 H new ATOM 0 HD23 LEU B 63 9.131 -6.427 0.866 1.00 34.53 H new ATOM 2039 N ASP B 64 6.548 -9.734 3.892 1.00 30.14 N ATOM 2040 CA ASP B 64 6.409 -11.057 4.529 1.00 75.41 C ATOM 2041 C ASP B 64 5.881 -12.124 3.528 1.00 2.12 C ATOM 2042 O ASP B 64 6.223 -13.308 3.626 1.00 54.03 O ATOM 2043 CB ASP B 64 5.480 -10.919 5.763 1.00 32.03 C ATOM 2044 CG ASP B 64 5.398 -12.179 6.642 1.00 44.32 C ATOM 2045 OD1 ASP B 64 6.447 -12.811 6.903 1.00 64.25 O ATOM 2046 OD2 ASP B 64 4.288 -12.538 7.081 1.00 51.24 O ATOM 0 H ASP B 64 5.934 -9.023 4.290 1.00 30.14 H new ATOM 0 HA ASP B 64 7.389 -11.405 4.854 1.00 75.41 H new ATOM 0 HB2 ASP B 64 5.829 -10.087 6.374 1.00 32.03 H new ATOM 0 HB3 ASP B 64 4.477 -10.664 5.421 1.00 32.03 H new ATOM 2051 N LEU B 65 5.055 -11.680 2.561 1.00 51.02 N ATOM 2052 CA LEU B 65 4.551 -12.536 1.459 1.00 22.13 C ATOM 2053 C LEU B 65 5.635 -12.771 0.371 1.00 62.34 C ATOM 2054 O LEU B 65 5.738 -13.866 -0.197 1.00 43.31 O ATOM 2055 CB LEU B 65 3.291 -11.886 0.826 1.00 12.13 C ATOM 2056 CG LEU B 65 2.080 -11.671 1.789 1.00 71.55 C ATOM 2057 CD1 LEU B 65 0.877 -11.042 1.051 1.00 74.24 C ATOM 2058 CD2 LEU B 65 1.687 -12.988 2.494 1.00 33.01 C ATOM 0 H LEU B 65 4.716 -10.719 2.518 1.00 51.02 H new ATOM 0 HA LEU B 65 4.291 -13.508 1.879 1.00 22.13 H new ATOM 0 HB2 LEU B 65 3.575 -10.920 0.408 1.00 12.13 H new ATOM 0 HB3 LEU B 65 2.963 -12.509 -0.006 1.00 12.13 H new ATOM 0 HG LEU B 65 2.392 -10.966 2.560 1.00 71.55 H new ATOM 0 HD11 LEU B 65 0.052 -10.906 1.750 1.00 74.24 H new ATOM 0 HD12 LEU B 65 1.167 -10.075 0.640 1.00 74.24 H new ATOM 0 HD13 LEU B 65 0.562 -11.701 0.242 1.00 74.24 H new ATOM 0 HD21 LEU B 65 0.841 -12.807 3.158 1.00 33.01 H new ATOM 0 HD22 LEU B 65 1.409 -13.732 1.747 1.00 33.01 H new ATOM 0 HD23 LEU B 65 2.532 -13.356 3.075 1.00 33.01 H new ATOM 2070 N GLN B 66 6.442 -11.729 0.120 1.00 62.04 N ATOM 2071 CA GLN B 66 7.484 -11.711 -0.937 1.00 63.22 C ATOM 2072 C GLN B 66 8.797 -12.391 -0.464 1.00 51.05 C ATOM 2073 O GLN B 66 9.044 -13.561 -0.770 1.00 65.33 O ATOM 2074 CB GLN B 66 7.771 -10.244 -1.391 1.00 40.32 C ATOM 2075 CG GLN B 66 6.605 -9.542 -2.110 1.00 22.33 C ATOM 2076 CD GLN B 66 6.334 -10.095 -3.512 1.00 12.13 C ATOM 2077 OE1 GLN B 66 5.572 -11.040 -3.695 1.00 42.21 O ATOM 2078 NE2 GLN B 66 6.938 -9.491 -4.517 1.00 52.23 N ATOM 0 H GLN B 66 6.394 -10.859 0.649 1.00 62.04 H new ATOM 0 HA GLN B 66 7.102 -12.281 -1.784 1.00 63.22 H new ATOM 0 HB2 GLN B 66 8.044 -9.656 -0.515 1.00 40.32 H new ATOM 0 HB3 GLN B 66 8.636 -10.248 -2.054 1.00 40.32 H new ATOM 0 HG2 GLN B 66 5.703 -9.643 -1.507 1.00 22.33 H new ATOM 0 HG3 GLN B 66 6.822 -8.476 -2.183 1.00 22.33 H new ATOM 0 HE21 GLN B 66 7.567 -8.708 -4.338 1.00 52.23 H new ATOM 0 HE22 GLN B 66 6.776 -9.807 -5.473 1.00 52.23 H new ATOM 2087 N VAL B 67 9.620 -11.653 0.308 1.00 63.31 N ATOM 2088 CA VAL B 67 10.982 -12.087 0.710 1.00 12.53 C ATOM 2089 C VAL B 67 11.134 -12.117 2.251 1.00 13.11 C ATOM 2090 O VAL B 67 10.778 -11.159 2.950 1.00 44.10 O ATOM 2091 CB VAL B 67 12.092 -11.160 0.060 1.00 45.32 C ATOM 2092 CG1 VAL B 67 12.190 -11.395 -1.469 1.00 40.51 C ATOM 2093 CG2 VAL B 67 11.838 -9.656 0.365 1.00 51.35 C ATOM 0 H VAL B 67 9.362 -10.736 0.673 1.00 63.31 H new ATOM 0 HA VAL B 67 11.123 -13.102 0.338 1.00 12.53 H new ATOM 0 HB VAL B 67 13.045 -11.435 0.513 1.00 45.32 H new ATOM 0 HG11 VAL B 67 12.959 -10.746 -1.888 1.00 40.51 H new ATOM 0 HG12 VAL B 67 12.449 -12.436 -1.661 1.00 40.51 H new ATOM 0 HG13 VAL B 67 11.231 -11.168 -1.934 1.00 40.51 H new ATOM 0 HG21 VAL B 67 12.620 -9.054 -0.098 1.00 51.35 H new ATOM 0 HG22 VAL B 67 10.868 -9.362 -0.037 1.00 51.35 H new ATOM 0 HG23 VAL B 67 11.847 -9.497 1.443 1.00 51.35 H new ATOM 2103 N VAL B 68 11.656 -13.243 2.773 1.00 3.35 N ATOM 2104 CA VAL B 68 11.881 -13.449 4.229 1.00 21.33 C ATOM 2105 C VAL B 68 13.409 -13.430 4.584 1.00 5.52 C ATOM 2106 O VAL B 68 13.861 -12.488 5.271 1.00 37.82 O ATOM 2107 CB VAL B 68 11.162 -14.770 4.745 1.00 43.03 C ATOM 2108 CG1 VAL B 68 9.624 -14.573 4.794 1.00 53.12 C ATOM 2109 CG2 VAL B 68 11.514 -16.015 3.879 1.00 33.31 C ATOM 2110 OXT VAL B 68 14.165 -14.315 4.128 1.00 37.82 O ATOM 0 H VAL B 68 11.936 -14.040 2.202 1.00 3.35 H new ATOM 0 HA VAL B 68 11.425 -12.611 4.756 1.00 21.33 H new ATOM 0 HB VAL B 68 11.533 -14.958 5.752 1.00 43.03 H new ATOM 0 HG11 VAL B 68 9.151 -15.488 5.150 1.00 53.12 H new ATOM 0 HG12 VAL B 68 9.384 -13.754 5.471 1.00 53.12 H new ATOM 0 HG13 VAL B 68 9.255 -14.338 3.795 1.00 53.12 H new ATOM 0 HG21 VAL B 68 10.998 -16.890 4.273 1.00 33.31 H new ATOM 0 HG22 VAL B 68 11.201 -15.842 2.849 1.00 33.31 H new ATOM 0 HG23 VAL B 68 12.590 -16.185 3.907 1.00 33.31 H new