USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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: B 72 ASN : amide:sc= 0.381 K(o=0.74,f=-0.0011) USER MOD Set 1.2: B 76 HIS : no HD1:sc= 0.355 K(o=0.74,f=-0.48) USER MOD Set 2.1: B 74 CYS SG : rot -165:sc= 1.05 USER MOD Set 2.2: B 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 22 TYR OH : rot 180:sc= 0.538 USER MOD Set 3.2: B 59 THR OG1 : rot 160:sc= 0.594 USER MOD Set 4.1: B 53 THR OG1 : rot 35:sc= 0.914 USER MOD Set 4.2: B 56 THR OG1 : rot 174:sc= 2.06 USER MOD Single : A 407 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 LYS NZ :NH3+ -167:sc= -0.0284 (180deg=-0.213) USER MOD Single : B 18 ASN : amide:sc= -1.55! C(o=-1.5!,f=-8.3!) USER MOD Single : B 25 ASN : amide:sc= 0.935 K(o=0.94,f=-1.5) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 4:sc= 0.0138 USER MOD Single : B 41 LYS NZ :NH3+ -148:sc= 0.327 (180deg=0.0375) USER MOD Single : B 42 TYR OH : rot 130:sc= -0.174 USER MOD Single : B 47 GLN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 61 TYR OH : rot 166:sc= 0 USER MOD Single : B 64 TYR OH : rot -156:sc= 0.619 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 39:sc= 0.00978 USER MOD Single : B 81 ASN : amide:sc= 0.6 K(o=0.6,f=0) USER MOD Single : B 83 CYS SG : rot -150:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.6) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 ASN : amide:sc= -0.0561 X(o=-0.056,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.400 1.665 -4.461 1.00 62.00 N ATOM 392 CA LEU A 404 6.096 1.273 -3.923 1.00 4.42 C ATOM 393 C LEU A 404 6.227 -0.015 -3.107 1.00 4.04 C ATOM 394 O LEU A 404 5.660 -0.096 -2.021 1.00 60.41 O ATOM 395 CB LEU A 404 5.055 1.080 -5.034 1.00 53.34 C ATOM 396 CG LEU A 404 3.656 0.707 -4.490 1.00 43.45 C ATOM 397 CD1 LEU A 404 3.081 1.784 -3.557 1.00 33.25 C ATOM 398 CD2 LEU A 404 2.677 0.507 -5.650 1.00 55.11 C ATOM 0 HA LEU A 404 5.752 2.081 -3.278 1.00 4.42 H new ATOM 0 HB2 LEU A 404 4.980 1.998 -5.618 1.00 53.34 H new ATOM 0 HB3 LEU A 404 5.396 0.298 -5.712 1.00 53.34 H new ATOM 0 HG LEU A 404 3.780 -0.214 -3.920 1.00 43.45 H new ATOM 0 HD11 LEU A 404 2.098 1.472 -3.204 1.00 33.25 H new ATOM 0 HD12 LEU A 404 3.747 1.920 -2.705 1.00 33.25 H new ATOM 0 HD13 LEU A 404 2.990 2.725 -4.100 1.00 33.25 H new ATOM 0 HD21 LEU A 404 1.695 0.245 -5.256 1.00 55.11 H new ATOM 0 HD22 LEU A 404 2.602 1.429 -6.226 1.00 55.11 H new ATOM 0 HD23 LEU A 404 3.036 -0.296 -6.295 1.00 55.11 H new ATOM 409 N ASP A 405 6.937 -1.018 -3.631 1.00 64.42 N ATOM 410 CA ASP A 405 7.150 -2.292 -2.950 1.00 74.25 C ATOM 411 C ASP A 405 7.871 -2.055 -1.627 1.00 72.20 C ATOM 412 O ASP A 405 7.450 -2.594 -0.608 1.00 44.02 O ATOM 413 CB ASP A 405 7.938 -3.263 -3.841 1.00 11.33 C ATOM 414 CG ASP A 405 8.385 -4.503 -3.067 1.00 61.42 C ATOM 415 OD1 ASP A 405 7.510 -5.260 -2.584 1.00 41.45 O ATOM 416 OD2 ASP A 405 9.608 -4.740 -2.994 1.00 0.33 O ATOM 0 H ASP A 405 7.382 -0.965 -4.547 1.00 64.42 H new ATOM 0 HA ASP A 405 6.182 -2.748 -2.743 1.00 74.25 H new ATOM 0 HB2 ASP A 405 7.320 -3.565 -4.686 1.00 11.33 H new ATOM 0 HB3 ASP A 405 8.811 -2.755 -4.250 1.00 11.33 H new ATOM 420 N ALA A 406 8.921 -1.228 -1.636 1.00 53.21 N ATOM 421 CA ALA A 406 9.691 -0.895 -0.444 1.00 71.34 C ATOM 422 C ALA A 406 8.842 -0.161 0.598 1.00 10.45 C ATOM 423 O ALA A 406 9.050 -0.336 1.798 1.00 53.50 O ATOM 424 CB ALA A 406 10.871 -0.013 -0.848 1.00 22.13 C ATOM 0 H ALA A 406 9.260 -0.769 -2.482 1.00 53.21 H new ATOM 0 HA ALA A 406 10.039 -1.824 0.007 1.00 71.34 H new ATOM 0 HB1 ALA A 406 11.454 0.242 0.037 1.00 22.13 H new ATOM 0 HB2 ALA A 406 11.502 -0.551 -1.556 1.00 22.13 H new ATOM 0 HB3 ALA A 406 10.500 0.900 -1.314 1.00 22.13 H new ATOM 430 N MET A 407 7.907 0.682 0.150 1.00 42.12 N ATOM 431 CA MET A 407 7.011 1.445 1.012 1.00 12.55 C ATOM 432 C MET A 407 5.962 0.532 1.666 1.00 11.03 C ATOM 433 O MET A 407 5.197 1.003 2.513 1.00 1.35 O ATOM 434 CB MET A 407 6.352 2.582 0.211 1.00 5.15 C ATOM 435 CG MET A 407 7.352 3.697 -0.136 1.00 65.12 C ATOM 436 SD MET A 407 6.800 4.857 -1.426 1.00 71.12 S ATOM 437 CE MET A 407 5.620 5.816 -0.453 1.00 32.04 C ATOM 0 H MET A 407 7.752 0.854 -0.843 1.00 42.12 H new ATOM 0 HA MET A 407 7.595 1.890 1.818 1.00 12.55 H new ATOM 0 HB2 MET A 407 5.926 2.179 -0.708 1.00 5.15 H new ATOM 0 HB3 MET A 407 5.527 3.001 0.788 1.00 5.15 H new ATOM 0 HG2 MET A 407 7.570 4.263 0.770 1.00 65.12 H new ATOM 0 HG3 MET A 407 8.287 3.238 -0.458 1.00 65.12 H new ATOM 0 HE1 MET A 407 5.172 6.586 -1.081 1.00 32.04 H new ATOM 0 HE2 MET A 407 4.839 5.156 -0.075 1.00 32.04 H new ATOM 0 HE3 MET A 407 6.136 6.285 0.385 1.00 32.04 H new ATOM 445 N PHE A 408 5.880 -0.748 1.283 1.00 70.42 N ATOM 446 CA PHE A 408 4.944 -1.705 1.848 1.00 22.40 C ATOM 447 C PHE A 408 5.710 -2.689 2.737 1.00 60.32 C ATOM 448 O PHE A 408 6.815 -3.101 2.391 1.00 72.41 O ATOM 449 CB PHE A 408 4.177 -2.453 0.756 1.00 22.42 C ATOM 450 CG PHE A 408 2.987 -1.709 0.181 1.00 32.14 C ATOM 451 CD1 PHE A 408 1.961 -1.255 1.032 1.00 12.22 C ATOM 452 CD2 PHE A 408 2.889 -1.483 -1.203 1.00 74.13 C ATOM 453 CE1 PHE A 408 0.875 -0.538 0.512 1.00 11.33 C ATOM 454 CE2 PHE A 408 1.774 -0.810 -1.729 1.00 12.44 C ATOM 455 CZ PHE A 408 0.776 -0.318 -0.869 1.00 20.10 C ATOM 0 H PHE A 408 6.477 -1.147 0.558 1.00 70.42 H new ATOM 0 HA PHE A 408 4.209 -1.165 2.445 1.00 22.40 H new ATOM 0 HB2 PHE A 408 4.866 -2.687 -0.055 1.00 22.42 H new ATOM 0 HB3 PHE A 408 3.830 -3.403 1.163 1.00 22.42 H new ATOM 0 HD1 PHE A 408 2.011 -1.460 2.091 1.00 12.22 H new ATOM 0 HD2 PHE A 408 3.672 -1.827 -1.863 1.00 74.13 H new ATOM 0 HE1 PHE A 408 0.114 -0.155 1.176 1.00 11.33 H new ATOM 0 HE2 PHE A 408 1.683 -0.670 -2.796 1.00 12.44 H new ATOM 0 HZ PHE A 408 -0.065 0.228 -1.271 1.00 20.10 H new ATOM 464 N PRO A 409 5.115 -3.117 3.858 1.00 12.32 N ATOM 465 CA PRO A 409 5.738 -4.041 4.789 1.00 25.13 C ATOM 466 C PRO A 409 5.837 -5.476 4.270 1.00 74.03 C ATOM 467 O PRO A 409 5.170 -5.886 3.312 1.00 22.00 O ATOM 468 CB PRO A 409 4.880 -3.985 6.053 1.00 21.13 C ATOM 469 CG PRO A 409 3.522 -3.478 5.579 1.00 3.42 C ATOM 470 CD PRO A 409 3.824 -2.668 4.334 1.00 33.44 C ATOM 0 HA PRO A 409 6.773 -3.744 4.961 1.00 25.13 H new ATOM 0 HB2 PRO A 409 4.795 -4.967 6.518 1.00 21.13 H new ATOM 0 HB3 PRO A 409 5.314 -3.317 6.797 1.00 21.13 H new ATOM 0 HG2 PRO A 409 2.846 -4.304 5.359 1.00 3.42 H new ATOM 0 HG3 PRO A 409 3.040 -2.866 6.342 1.00 3.42 H new ATOM 0 HD2 PRO A 409 3.056 -2.820 3.576 1.00 33.44 H new ATOM 0 HD3 PRO A 409 3.842 -1.602 4.559 1.00 33.44 H new ATOM 475 N GLU A 410 6.683 -6.236 4.960 1.00 2.44 N ATOM 476 CA GLU A 410 6.978 -7.640 4.731 1.00 50.04 C ATOM 477 C GLU A 410 5.771 -8.506 5.113 1.00 70.22 C ATOM 478 O GLU A 410 4.900 -8.084 5.868 1.00 43.33 O ATOM 479 CB GLU A 410 8.190 -8.032 5.600 1.00 54.02 C ATOM 480 CG GLU A 410 7.915 -7.867 7.108 1.00 12.34 C ATOM 481 CD GLU A 410 9.078 -8.336 7.968 1.00 13.44 C ATOM 482 OE1 GLU A 410 10.019 -7.541 8.210 1.00 55.40 O ATOM 483 OE2 GLU A 410 9.044 -9.500 8.439 1.00 21.15 O ATOM 0 H GLU A 410 7.214 -5.859 5.745 1.00 2.44 H new ATOM 0 HA GLU A 410 7.200 -7.800 3.676 1.00 50.04 H new ATOM 0 HB2 GLU A 410 8.460 -9.068 5.395 1.00 54.02 H new ATOM 0 HB3 GLU A 410 9.046 -7.418 5.321 1.00 54.02 H new ATOM 0 HG2 GLU A 410 7.708 -6.819 7.323 1.00 12.34 H new ATOM 0 HG3 GLU A 410 7.020 -8.430 7.374 1.00 12.34 H new ATOM 488 N GLY A 411 5.716 -9.743 4.621 1.00 50.22 N ATOM 489 CA GLY A 411 4.627 -10.659 4.944 1.00 5.14 C ATOM 490 C GLY A 411 3.302 -10.377 4.230 1.00 1.04 C ATOM 491 O GLY A 411 2.270 -10.941 4.609 1.00 74.04 O ATOM 0 H GLY A 411 6.419 -10.134 3.993 1.00 50.22 H new ATOM 0 HA2 GLY A 411 4.943 -11.673 4.701 1.00 5.14 H new ATOM 0 HA3 GLY A 411 4.455 -10.628 6.020 1.00 5.14 H new ATOM 495 N TYR A 412 3.303 -9.603 3.147 1.00 51.21 N ATOM 496 CA TYR A 412 2.115 -9.282 2.353 1.00 10.14 C ATOM 497 C TYR A 412 2.453 -9.685 0.930 1.00 32.11 C ATOM 498 O TYR A 412 3.630 -9.770 0.565 1.00 5.23 O ATOM 499 CB TYR A 412 1.728 -7.798 2.398 1.00 70.13 C ATOM 500 CG TYR A 412 1.287 -7.292 3.753 1.00 50.41 C ATOM 501 CD1 TYR A 412 2.271 -6.998 4.702 1.00 54.51 C ATOM 502 CD2 TYR A 412 -0.068 -7.057 4.057 1.00 15.03 C ATOM 503 CE1 TYR A 412 1.928 -6.479 5.954 1.00 1.42 C ATOM 504 CE2 TYR A 412 -0.423 -6.492 5.298 1.00 33.22 C ATOM 505 CZ TYR A 412 0.585 -6.173 6.236 1.00 25.11 C ATOM 506 OH TYR A 412 0.301 -5.447 7.345 1.00 63.55 O ATOM 0 H TYR A 412 4.153 -9.169 2.786 1.00 51.21 H new ATOM 0 HA TYR A 412 1.253 -9.814 2.757 1.00 10.14 H new ATOM 0 HB2 TYR A 412 2.581 -7.206 2.066 1.00 70.13 H new ATOM 0 HB3 TYR A 412 0.923 -7.626 1.683 1.00 70.13 H new ATOM 0 HD1 TYR A 412 3.310 -7.174 4.465 1.00 54.51 H new ATOM 0 HD2 TYR A 412 -0.834 -7.310 3.339 1.00 15.03 H new ATOM 0 HE1 TYR A 412 2.691 -6.314 6.701 1.00 1.42 H new ATOM 0 HE2 TYR A 412 -1.461 -6.304 5.531 1.00 33.22 H new ATOM 0 HH TYR A 412 -0.668 -5.313 7.409 1.00 63.55 H new ATOM 515 N LYS A 413 1.432 -9.940 0.119 1.00 20.41 N ATOM 516 CA LYS A 413 1.597 -10.365 -1.261 1.00 72.53 C ATOM 517 C LYS A 413 0.599 -9.623 -2.133 1.00 15.33 C ATOM 518 O LYS A 413 -0.476 -9.227 -1.665 1.00 74.25 O ATOM 519 CB LYS A 413 1.469 -11.892 -1.256 1.00 44.12 C ATOM 520 CG LYS A 413 1.493 -12.594 -2.611 1.00 53.31 C ATOM 521 CD LYS A 413 1.555 -14.107 -2.343 1.00 42.02 C ATOM 522 CE LYS A 413 1.374 -14.953 -3.600 1.00 42.12 C ATOM 523 NZ LYS A 413 0.081 -14.701 -4.266 1.00 31.34 N ATOM 0 H LYS A 413 0.457 -9.856 0.407 1.00 20.41 H new ATOM 0 HA LYS A 413 2.568 -10.120 -1.691 1.00 72.53 H new ATOM 0 HB2 LYS A 413 2.279 -12.298 -0.650 1.00 44.12 H new ATOM 0 HB3 LYS A 413 0.536 -12.152 -0.756 1.00 44.12 H new ATOM 0 HG2 LYS A 413 0.604 -12.343 -3.189 1.00 53.31 H new ATOM 0 HG3 LYS A 413 2.355 -12.272 -3.195 1.00 53.31 H new ATOM 0 HD2 LYS A 413 2.515 -14.349 -1.887 1.00 42.02 H new ATOM 0 HD3 LYS A 413 0.783 -14.373 -1.621 1.00 42.02 H new ATOM 0 HE2 LYS A 413 2.186 -14.742 -4.296 1.00 42.12 H new ATOM 0 HE3 LYS A 413 1.445 -16.009 -3.338 1.00 42.12 H new ATOM 0 HZ1 LYS A 413 -0.094 -15.441 -4.975 1.00 31.34 H new ATOM 0 HZ2 LYS A 413 -0.682 -14.712 -3.559 1.00 31.34 H new ATOM 0 HZ3 LYS A 413 0.107 -13.772 -4.734 1.00 31.34 H new ATOM 533 N VAL A 414 0.940 -9.481 -3.408 1.00 62.23 N ATOM 534 CA VAL A 414 0.146 -8.774 -4.395 1.00 62.33 C ATOM 535 C VAL A 414 -1.126 -9.552 -4.719 1.00 70.20 C ATOM 536 O VAL A 414 -1.130 -10.786 -4.804 1.00 64.31 O ATOM 537 CB VAL A 414 0.992 -8.528 -5.668 1.00 21.40 C ATOM 538 CG1 VAL A 414 0.383 -7.387 -6.497 1.00 73.45 C ATOM 539 CG2 VAL A 414 2.472 -8.213 -5.368 1.00 35.31 C ATOM 0 H VAL A 414 1.803 -9.867 -3.791 1.00 62.23 H new ATOM 0 HA VAL A 414 -0.154 -7.809 -3.987 1.00 62.33 H new ATOM 0 HB VAL A 414 0.972 -9.460 -6.232 1.00 21.40 H new ATOM 0 HG11 VAL A 414 0.987 -7.223 -7.390 1.00 73.45 H new ATOM 0 HG12 VAL A 414 -0.633 -7.652 -6.790 1.00 73.45 H new ATOM 0 HG13 VAL A 414 0.362 -6.475 -5.901 1.00 73.45 H new ATOM 0 HG21 VAL A 414 3.007 -8.052 -6.304 1.00 35.31 H new ATOM 0 HG22 VAL A 414 2.536 -7.315 -4.754 1.00 35.31 H new ATOM 0 HG23 VAL A 414 2.921 -9.050 -4.833 1.00 35.31 H new ATOM 549 N LEU A 415 -2.214 -8.809 -4.914 1.00 5.43 N ATOM 550 CA LEU A 415 -3.536 -9.303 -5.249 1.00 71.23 C ATOM 551 C LEU A 415 -3.977 -8.530 -6.495 1.00 54.01 C ATOM 552 O LEU A 415 -4.616 -7.494 -6.341 1.00 0.20 O ATOM 553 CB LEU A 415 -4.488 -9.106 -4.054 1.00 25.33 C ATOM 554 CG LEU A 415 -5.923 -9.608 -4.325 1.00 61.34 C ATOM 555 CD1 LEU A 415 -5.954 -11.135 -4.446 1.00 70.54 C ATOM 556 CD2 LEU A 415 -6.847 -9.197 -3.180 1.00 2.14 C ATOM 0 H LEU A 415 -2.189 -7.792 -4.837 1.00 5.43 H new ATOM 0 HA LEU A 415 -3.542 -10.372 -5.461 1.00 71.23 H new ATOM 0 HB2 LEU A 415 -4.085 -9.630 -3.187 1.00 25.33 H new ATOM 0 HB3 LEU A 415 -4.524 -8.047 -3.798 1.00 25.33 H new ATOM 0 HG LEU A 415 -6.260 -9.163 -5.261 1.00 61.34 H new ATOM 0 HD11 LEU A 415 -6.975 -11.464 -4.637 1.00 70.54 H new ATOM 0 HD12 LEU A 415 -5.312 -11.448 -5.270 1.00 70.54 H new ATOM 0 HD13 LEU A 415 -5.596 -11.581 -3.518 1.00 70.54 H new ATOM 0 HD21 LEU A 415 -7.857 -9.556 -3.381 1.00 2.14 H new ATOM 0 HD22 LEU A 415 -6.486 -9.631 -2.248 1.00 2.14 H new ATOM 0 HD23 LEU A 415 -6.858 -8.110 -3.094 1.00 2.14 H new ATOM 567 N PRO A 416 -3.575 -8.946 -7.709 1.00 32.14 N ATOM 568 CA PRO A 416 -3.977 -8.269 -8.940 1.00 24.04 C ATOM 569 C PRO A 416 -5.489 -8.452 -9.193 1.00 42.23 C ATOM 570 O PRO A 416 -6.122 -9.270 -8.516 1.00 24.54 O ATOM 571 CB PRO A 416 -3.163 -8.938 -10.061 1.00 51.32 C ATOM 572 CG PRO A 416 -2.134 -9.815 -9.356 1.00 23.45 C ATOM 573 CD PRO A 416 -2.804 -10.137 -8.026 1.00 11.33 C ATOM 0 HA PRO A 416 -3.792 -7.196 -8.887 1.00 24.04 H new ATOM 0 HB2 PRO A 416 -3.806 -9.533 -10.710 1.00 51.32 H new ATOM 0 HB3 PRO A 416 -2.677 -8.193 -10.690 1.00 51.32 H new ATOM 0 HG2 PRO A 416 -1.916 -10.718 -9.926 1.00 23.45 H new ATOM 0 HG3 PRO A 416 -1.188 -9.292 -9.214 1.00 23.45 H new ATOM 0 HD2 PRO A 416 -3.445 -11.015 -8.107 1.00 11.33 H new ATOM 0 HD3 PRO A 416 -2.067 -10.351 -7.252 1.00 11.33 H new ATOM 578 N PRO A 417 -6.072 -7.763 -10.192 1.00 10.34 N ATOM 579 CA PRO A 417 -7.492 -7.897 -10.512 1.00 1.03 C ATOM 580 C PRO A 417 -7.786 -9.274 -11.127 1.00 21.31 C ATOM 581 O PRO A 417 -6.853 -9.974 -11.549 1.00 33.04 O ATOM 582 CB PRO A 417 -7.789 -6.776 -11.521 1.00 22.33 C ATOM 583 CG PRO A 417 -6.440 -6.494 -12.174 1.00 20.52 C ATOM 584 CD PRO A 417 -5.439 -6.778 -11.058 1.00 32.21 C ATOM 0 HA PRO A 417 -8.116 -7.817 -9.622 1.00 1.03 H new ATOM 0 HB2 PRO A 417 -8.530 -7.088 -12.257 1.00 22.33 H new ATOM 0 HB3 PRO A 417 -8.185 -5.889 -11.026 1.00 22.33 H new ATOM 0 HG2 PRO A 417 -6.270 -7.136 -13.039 1.00 20.52 H new ATOM 0 HG3 PRO A 417 -6.370 -5.464 -12.523 1.00 20.52 H new ATOM 0 HD2 PRO A 417 -4.501 -7.159 -11.463 1.00 32.21 H new ATOM 0 HD3 PRO A 417 -5.202 -5.869 -10.506 1.00 32.21 H new ATOM 589 N PRO A 418 -9.057 -9.706 -11.178 1.00 42.43 N ATOM 590 CA PRO A 418 -9.426 -10.982 -11.785 1.00 5.11 C ATOM 591 C PRO A 418 -9.327 -10.853 -13.317 1.00 42.23 C ATOM 592 O PRO A 418 -8.954 -9.794 -13.824 1.00 12.53 O ATOM 593 CB PRO A 418 -10.862 -11.219 -11.315 1.00 61.44 C ATOM 594 CG PRO A 418 -11.439 -9.810 -11.176 1.00 44.34 C ATOM 595 CD PRO A 418 -10.239 -8.991 -10.705 1.00 61.35 C ATOM 0 HA PRO A 418 -8.781 -11.814 -11.503 1.00 5.11 H new ATOM 0 HB2 PRO A 418 -11.425 -11.813 -12.035 1.00 61.44 H new ATOM 0 HB3 PRO A 418 -10.889 -11.757 -10.368 1.00 61.44 H new ATOM 0 HG2 PRO A 418 -11.833 -9.440 -12.123 1.00 44.34 H new ATOM 0 HG3 PRO A 418 -12.257 -9.778 -10.456 1.00 44.34 H new ATOM 0 HD2 PRO A 418 -10.272 -7.980 -11.111 1.00 61.35 H new ATOM 0 HD3 PRO A 418 -10.231 -8.898 -9.619 1.00 61.35 H new ATOM 826 N VAL B 17 -3.654 13.379 4.496 1.00 41.03 N ATOM 827 CA VAL B 17 -4.185 12.250 3.740 1.00 62.25 C ATOM 828 C VAL B 17 -3.103 11.714 2.802 1.00 72.10 C ATOM 829 O VAL B 17 -2.249 12.477 2.331 1.00 52.10 O ATOM 830 CB VAL B 17 -5.439 12.689 2.944 1.00 72.43 C ATOM 831 CG1 VAL B 17 -5.960 11.592 2.015 1.00 34.33 C ATOM 832 CG2 VAL B 17 -6.572 13.071 3.894 1.00 34.32 C ATOM 0 HA VAL B 17 -4.480 11.455 4.425 1.00 62.25 H new ATOM 0 HB VAL B 17 -5.128 13.543 2.343 1.00 72.43 H new ATOM 0 HG11 VAL B 17 -6.839 11.954 1.482 1.00 34.33 H new ATOM 0 HG12 VAL B 17 -5.185 11.325 1.297 1.00 34.33 H new ATOM 0 HG13 VAL B 17 -6.228 10.714 2.603 1.00 34.33 H new ATOM 0 HG21 VAL B 17 -7.444 13.377 3.316 1.00 34.32 H new ATOM 0 HG22 VAL B 17 -6.831 12.214 4.515 1.00 34.32 H new ATOM 0 HG23 VAL B 17 -6.251 13.896 4.530 1.00 34.32 H new ATOM 842 N ASN B 18 -3.188 10.411 2.514 1.00 31.41 N ATOM 843 CA ASN B 18 -2.309 9.648 1.641 1.00 40.24 C ATOM 844 C ASN B 18 -3.161 8.932 0.592 1.00 24.13 C ATOM 845 O ASN B 18 -4.259 8.465 0.904 1.00 5.32 O ATOM 846 CB ASN B 18 -1.533 8.608 2.468 1.00 43.41 C ATOM 847 CG ASN B 18 -0.389 7.976 1.685 1.00 43.53 C ATOM 848 OD1 ASN B 18 -0.567 7.422 0.606 1.00 14.32 O ATOM 849 ND2 ASN B 18 0.825 8.047 2.172 1.00 23.10 N ATOM 0 H ASN B 18 -3.924 9.829 2.914 1.00 31.41 H new ATOM 0 HA ASN B 18 -1.600 10.317 1.154 1.00 40.24 H new ATOM 0 HB2 ASN B 18 -1.136 9.084 3.364 1.00 43.41 H new ATOM 0 HB3 ASN B 18 -2.218 7.827 2.799 1.00 43.41 H new ATOM 0 HD21 ASN B 18 1.606 7.644 1.655 1.00 23.10 H new ATOM 0 HD22 ASN B 18 0.989 8.505 3.069 1.00 23.10 H new ATOM 855 N ARG B 19 -2.654 8.831 -0.639 1.00 64.31 N ATOM 856 CA ARG B 19 -3.295 8.159 -1.772 1.00 32.34 C ATOM 857 C ARG B 19 -3.534 6.662 -1.470 1.00 13.23 C ATOM 858 O ARG B 19 -4.437 6.052 -2.042 1.00 32.22 O ATOM 859 CB ARG B 19 -2.352 8.328 -2.983 1.00 33.31 C ATOM 860 CG ARG B 19 -2.975 7.980 -4.345 1.00 32.50 C ATOM 861 CD ARG B 19 -1.906 7.654 -5.401 1.00 0.21 C ATOM 862 NE ARG B 19 -1.017 8.779 -5.734 1.00 35.34 N ATOM 863 CZ ARG B 19 -0.195 8.822 -6.792 1.00 32.13 C ATOM 864 NH1 ARG B 19 -0.019 7.767 -7.583 1.00 32.41 N ATOM 865 NH2 ARG B 19 0.466 9.938 -7.068 1.00 31.33 N ATOM 0 H ARG B 19 -1.748 9.232 -0.884 1.00 64.31 H new ATOM 0 HA ARG B 19 -4.273 8.597 -1.974 1.00 32.34 H new ATOM 0 HB2 ARG B 19 -2.005 9.361 -3.013 1.00 33.31 H new ATOM 0 HB3 ARG B 19 -1.474 7.700 -2.831 1.00 33.31 H new ATOM 0 HG2 ARG B 19 -3.643 7.127 -4.230 1.00 32.50 H new ATOM 0 HG3 ARG B 19 -3.582 8.817 -4.690 1.00 32.50 H new ATOM 0 HD2 ARG B 19 -1.300 6.822 -5.042 1.00 0.21 H new ATOM 0 HD3 ARG B 19 -2.403 7.317 -6.311 1.00 0.21 H new ATOM 0 HE ARG B 19 -1.027 9.588 -5.112 1.00 35.34 H new ATOM 0 HH11 ARG B 19 -0.516 6.897 -7.391 1.00 32.41 H new ATOM 0 HH12 ARG B 19 0.613 7.828 -8.381 1.00 32.41 H new ATOM 0 HH21 ARG B 19 0.348 10.760 -6.476 1.00 31.33 H new ATOM 0 HH22 ARG B 19 1.092 9.974 -7.872 1.00 31.33 H new ATOM 876 N ILE B 20 -2.699 6.058 -0.623 1.00 30.04 N ATOM 877 CA ILE B 20 -2.729 4.661 -0.201 1.00 14.44 C ATOM 878 C ILE B 20 -3.635 4.544 1.037 1.00 43.41 C ATOM 879 O ILE B 20 -3.699 5.459 1.867 1.00 51.02 O ATOM 880 CB ILE B 20 -1.278 4.181 0.086 1.00 75.32 C ATOM 881 CG1 ILE B 20 -0.318 4.442 -1.108 1.00 63.12 C ATOM 882 CG2 ILE B 20 -1.274 2.685 0.449 1.00 12.31 C ATOM 883 CD1 ILE B 20 1.164 4.159 -0.812 1.00 51.14 C ATOM 0 H ILE B 20 -1.932 6.569 -0.185 1.00 30.04 H new ATOM 0 HA ILE B 20 -3.137 4.021 -0.984 1.00 14.44 H new ATOM 0 HB ILE B 20 -0.910 4.764 0.930 1.00 75.32 H new ATOM 0 HG12 ILE B 20 -0.631 3.825 -1.950 1.00 63.12 H new ATOM 0 HG13 ILE B 20 -0.421 5.482 -1.419 1.00 63.12 H new ATOM 0 HG21 ILE B 20 -0.252 2.362 0.648 1.00 12.31 H new ATOM 0 HG22 ILE B 20 -1.885 2.525 1.338 1.00 12.31 H new ATOM 0 HG23 ILE B 20 -1.682 2.108 -0.381 1.00 12.31 H new ATOM 0 HD11 ILE B 20 1.759 4.368 -1.701 1.00 51.14 H new ATOM 0 HD12 ILE B 20 1.499 4.795 0.007 1.00 51.14 H new ATOM 0 HD13 ILE B 20 1.286 3.113 -0.532 1.00 51.14 H new ATOM 894 N LEU B 21 -4.315 3.403 1.180 1.00 23.01 N ATOM 895 CA LEU B 21 -5.228 3.092 2.279 1.00 50.12 C ATOM 896 C LEU B 21 -4.792 1.786 2.957 1.00 73.34 C ATOM 897 O LEU B 21 -4.140 0.948 2.329 1.00 35.50 O ATOM 898 CB LEU B 21 -6.669 2.979 1.740 1.00 31.24 C ATOM 899 CG LEU B 21 -7.255 4.268 1.122 1.00 51.42 C ATOM 900 CD1 LEU B 21 -8.589 3.939 0.452 1.00 52.14 C ATOM 901 CD2 LEU B 21 -7.485 5.386 2.150 1.00 14.45 C ATOM 0 H LEU B 21 -4.240 2.642 0.505 1.00 23.01 H new ATOM 0 HA LEU B 21 -5.199 3.891 3.020 1.00 50.12 H new ATOM 0 HB2 LEU B 21 -6.695 2.192 0.986 1.00 31.24 H new ATOM 0 HB3 LEU B 21 -7.319 2.661 2.555 1.00 31.24 H new ATOM 0 HG LEU B 21 -6.522 4.635 0.403 1.00 51.42 H new ATOM 0 HD11 LEU B 21 -9.009 4.844 0.013 1.00 52.14 H new ATOM 0 HD12 LEU B 21 -8.430 3.197 -0.330 1.00 52.14 H new ATOM 0 HD13 LEU B 21 -9.281 3.541 1.194 1.00 52.14 H new ATOM 0 HD21 LEU B 21 -7.898 6.262 1.649 1.00 14.45 H new ATOM 0 HD22 LEU B 21 -8.184 5.041 2.912 1.00 14.45 H new ATOM 0 HD23 LEU B 21 -6.537 5.649 2.619 1.00 14.45 H new ATOM 912 N TYR B 22 -5.157 1.607 4.232 1.00 73.44 N ATOM 913 CA TYR B 22 -4.860 0.455 5.088 1.00 12.25 C ATOM 914 C TYR B 22 -6.177 0.018 5.732 1.00 64.42 C ATOM 915 O TYR B 22 -6.722 0.732 6.580 1.00 55.45 O ATOM 916 CB TYR B 22 -3.819 0.829 6.150 1.00 32.13 C ATOM 917 CG TYR B 22 -3.534 -0.275 7.157 1.00 50.12 C ATOM 918 CD1 TYR B 22 -3.145 -1.552 6.711 1.00 52.33 C ATOM 919 CD2 TYR B 22 -3.660 -0.033 8.540 1.00 34.34 C ATOM 920 CE1 TYR B 22 -2.898 -2.588 7.625 1.00 13.44 C ATOM 921 CE2 TYR B 22 -3.403 -1.062 9.466 1.00 61.01 C ATOM 922 CZ TYR B 22 -3.029 -2.348 9.009 1.00 4.42 C ATOM 923 OH TYR B 22 -2.760 -3.347 9.891 1.00 52.42 O ATOM 0 H TYR B 22 -5.705 2.312 4.725 1.00 73.44 H new ATOM 0 HA TYR B 22 -4.437 -0.364 4.506 1.00 12.25 H new ATOM 0 HB2 TYR B 22 -2.888 1.100 5.651 1.00 32.13 H new ATOM 0 HB3 TYR B 22 -4.164 1.714 6.685 1.00 32.13 H new ATOM 0 HD1 TYR B 22 -3.035 -1.737 5.653 1.00 52.33 H new ATOM 0 HD2 TYR B 22 -3.955 0.945 8.890 1.00 34.34 H new ATOM 0 HE1 TYR B 22 -2.609 -3.566 7.270 1.00 13.44 H new ATOM 0 HE2 TYR B 22 -3.491 -0.870 10.525 1.00 61.01 H new ATOM 0 HH TYR B 22 -2.896 -3.022 10.805 1.00 52.42 H new ATOM 932 N ILE B 23 -6.739 -1.084 5.250 1.00 22.15 N ATOM 933 CA ILE B 23 -8.004 -1.668 5.673 1.00 5.13 C ATOM 934 C ILE B 23 -7.805 -2.550 6.910 1.00 42.33 C ATOM 935 O ILE B 23 -6.752 -3.174 7.070 1.00 73.42 O ATOM 936 CB ILE B 23 -8.556 -2.545 4.519 1.00 53.41 C ATOM 937 CG1 ILE B 23 -8.365 -1.981 3.087 1.00 63.51 C ATOM 938 CG2 ILE B 23 -10.049 -2.832 4.760 1.00 2.51 C ATOM 939 CD1 ILE B 23 -8.818 -0.535 2.837 1.00 23.43 C ATOM 0 H ILE B 23 -6.296 -1.626 4.508 1.00 22.15 H new ATOM 0 HA ILE B 23 -8.700 -0.866 5.919 1.00 5.13 H new ATOM 0 HB ILE B 23 -7.955 -3.454 4.547 1.00 53.41 H new ATOM 0 HG12 ILE B 23 -7.307 -2.052 2.834 1.00 63.51 H new ATOM 0 HG13 ILE B 23 -8.903 -2.628 2.394 1.00 63.51 H new ATOM 0 HG21 ILE B 23 -10.437 -3.448 3.949 1.00 2.51 H new ATOM 0 HG22 ILE B 23 -10.170 -3.359 5.706 1.00 2.51 H new ATOM 0 HG23 ILE B 23 -10.599 -1.892 4.796 1.00 2.51 H new ATOM 0 HD11 ILE B 23 -8.628 -0.269 1.797 1.00 23.43 H new ATOM 0 HD12 ILE B 23 -9.884 -0.447 3.045 1.00 23.43 H new ATOM 0 HD13 ILE B 23 -8.264 0.138 3.491 1.00 23.43 H new ATOM 950 N ARG B 24 -8.819 -2.648 7.777 1.00 53.23 N ATOM 951 CA ARG B 24 -8.803 -3.474 8.987 1.00 34.03 C ATOM 952 C ARG B 24 -10.169 -4.131 9.170 1.00 32.24 C ATOM 953 O ARG B 24 -11.154 -3.673 8.595 1.00 3.15 O ATOM 954 CB ARG B 24 -8.412 -2.681 10.248 1.00 12.40 C ATOM 955 CG ARG B 24 -7.029 -2.015 10.179 1.00 43.54 C ATOM 956 CD ARG B 24 -6.628 -1.391 11.524 1.00 43.22 C ATOM 957 NE ARG B 24 -6.340 -2.407 12.560 1.00 2.10 N ATOM 958 CZ ARG B 24 -6.522 -2.268 13.882 1.00 14.11 C ATOM 959 NH1 ARG B 24 -6.943 -1.119 14.401 1.00 32.03 N ATOM 960 NH2 ARG B 24 -6.283 -3.289 14.693 1.00 3.31 N ATOM 0 H ARG B 24 -9.696 -2.142 7.652 1.00 53.23 H new ATOM 0 HA ARG B 24 -8.036 -4.237 8.854 1.00 34.03 H new ATOM 0 HB2 ARG B 24 -9.163 -1.911 10.425 1.00 12.40 H new ATOM 0 HB3 ARG B 24 -8.435 -3.353 11.106 1.00 12.40 H new ATOM 0 HG2 ARG B 24 -6.284 -2.754 9.885 1.00 43.54 H new ATOM 0 HG3 ARG B 24 -7.035 -1.244 9.408 1.00 43.54 H new ATOM 0 HD2 ARG B 24 -5.748 -0.764 11.381 1.00 43.22 H new ATOM 0 HD3 ARG B 24 -7.430 -0.740 11.872 1.00 43.22 H new ATOM 0 HE ARG B 24 -5.967 -3.300 12.238 1.00 2.10 H new ATOM 0 HH11 ARG B 24 -7.134 -0.324 13.792 1.00 32.03 H new ATOM 0 HH12 ARG B 24 -7.075 -1.033 15.409 1.00 32.03 H new ATOM 0 HH21 ARG B 24 -5.961 -4.179 14.312 1.00 3.31 H new ATOM 0 HH22 ARG B 24 -6.421 -3.185 15.698 1.00 3.31 H new ATOM 971 N ASN B 25 -10.212 -5.176 10.002 1.00 61.42 N ATOM 972 CA ASN B 25 -11.387 -5.990 10.349 1.00 62.42 C ATOM 973 C ASN B 25 -11.903 -6.841 9.174 1.00 45.21 C ATOM 974 O ASN B 25 -13.084 -7.177 9.094 1.00 33.40 O ATOM 975 CB ASN B 25 -12.490 -5.169 11.044 1.00 20.31 C ATOM 976 CG ASN B 25 -13.425 -6.030 11.893 1.00 31.44 C ATOM 977 OD1 ASN B 25 -13.219 -7.222 12.094 1.00 0.44 O ATOM 978 ND2 ASN B 25 -14.417 -5.431 12.528 1.00 52.22 N ATOM 0 H ASN B 25 -9.373 -5.499 10.484 1.00 61.42 H new ATOM 0 HA ASN B 25 -11.046 -6.712 11.091 1.00 62.42 H new ATOM 0 HB2 ASN B 25 -12.028 -4.411 11.676 1.00 20.31 H new ATOM 0 HB3 ASN B 25 -13.074 -4.642 10.289 1.00 20.31 H new ATOM 0 HD21 ASN B 25 -15.001 -5.960 13.176 1.00 52.22 H new ATOM 0 HD22 ASN B 25 -14.599 -4.440 12.370 1.00 52.22 H new ATOM 984 N LEU B 26 -11.024 -7.162 8.217 1.00 61.33 N ATOM 985 CA LEU B 26 -11.369 -7.981 7.054 1.00 32.22 C ATOM 986 C LEU B 26 -11.681 -9.420 7.497 1.00 1.34 C ATOM 987 O LEU B 26 -11.145 -9.861 8.524 1.00 34.13 O ATOM 988 CB LEU B 26 -10.198 -8.003 6.054 1.00 35.24 C ATOM 989 CG LEU B 26 -9.983 -6.678 5.304 1.00 74.01 C ATOM 990 CD1 LEU B 26 -8.720 -6.783 4.448 1.00 53.54 C ATOM 991 CD2 LEU B 26 -11.176 -6.337 4.403 1.00 21.00 C ATOM 0 H LEU B 26 -10.050 -6.859 8.230 1.00 61.33 H new ATOM 0 HA LEU B 26 -12.247 -7.549 6.574 1.00 32.22 H new ATOM 0 HB2 LEU B 26 -9.283 -8.257 6.589 1.00 35.24 H new ATOM 0 HB3 LEU B 26 -10.372 -8.795 5.326 1.00 35.24 H new ATOM 0 HG LEU B 26 -9.880 -5.884 6.044 1.00 74.01 H new ATOM 0 HD11 LEU B 26 -8.563 -5.846 3.914 1.00 53.54 H new ATOM 0 HD12 LEU B 26 -7.862 -6.983 5.089 1.00 53.54 H new ATOM 0 HD13 LEU B 26 -8.834 -7.595 3.730 1.00 53.54 H new ATOM 0 HD21 LEU B 26 -10.987 -5.394 3.890 1.00 21.00 H new ATOM 0 HD22 LEU B 26 -11.314 -7.129 3.667 1.00 21.00 H new ATOM 0 HD23 LEU B 26 -12.076 -6.245 5.011 1.00 21.00 H new ATOM 1002 N PRO B 27 -12.506 -10.169 6.743 1.00 44.21 N ATOM 1003 CA PRO B 27 -12.858 -11.548 7.063 1.00 4.24 C ATOM 1004 C PRO B 27 -11.663 -12.469 6.794 1.00 62.33 C ATOM 1005 O PRO B 27 -10.799 -12.143 5.980 1.00 72.32 O ATOM 1006 CB PRO B 27 -14.034 -11.885 6.141 1.00 20.41 C ATOM 1007 CG PRO B 27 -13.778 -11.013 4.916 1.00 25.23 C ATOM 1008 CD PRO B 27 -13.177 -9.749 5.520 1.00 65.40 C ATOM 0 HA PRO B 27 -13.125 -11.679 8.112 1.00 4.24 H new ATOM 0 HB2 PRO B 27 -14.054 -12.944 5.884 1.00 20.41 H new ATOM 0 HB3 PRO B 27 -14.991 -11.652 6.608 1.00 20.41 H new ATOM 0 HG2 PRO B 27 -13.094 -11.491 4.215 1.00 25.23 H new ATOM 0 HG3 PRO B 27 -14.698 -10.803 4.370 1.00 25.23 H new ATOM 0 HD2 PRO B 27 -12.474 -9.283 4.830 1.00 65.40 H new ATOM 0 HD3 PRO B 27 -13.951 -9.012 5.733 1.00 65.40 H new ATOM 1013 N TYR B 28 -11.624 -13.651 7.420 1.00 31.44 N ATOM 1014 CA TYR B 28 -10.520 -14.589 7.199 1.00 31.42 C ATOM 1015 C TYR B 28 -10.598 -15.259 5.821 1.00 2.34 C ATOM 1016 O TYR B 28 -9.635 -15.908 5.421 1.00 60.43 O ATOM 1017 CB TYR B 28 -10.426 -15.627 8.332 1.00 52.43 C ATOM 1018 CG TYR B 28 -10.162 -15.078 9.729 1.00 64.41 C ATOM 1019 CD1 TYR B 28 -9.567 -13.814 9.936 1.00 41.41 C ATOM 1020 CD2 TYR B 28 -10.540 -15.846 10.848 1.00 45.35 C ATOM 1021 CE1 TYR B 28 -9.397 -13.311 11.237 1.00 50.05 C ATOM 1022 CE2 TYR B 28 -10.366 -15.350 12.153 1.00 52.52 C ATOM 1023 CZ TYR B 28 -9.803 -14.070 12.354 1.00 4.24 C ATOM 1024 OH TYR B 28 -9.651 -13.560 13.608 1.00 31.44 O ATOM 0 H TYR B 28 -12.335 -13.977 8.075 1.00 31.44 H new ATOM 0 HA TYR B 28 -9.599 -14.006 7.213 1.00 31.42 H new ATOM 0 HB2 TYR B 28 -11.358 -16.192 8.357 1.00 52.43 H new ATOM 0 HB3 TYR B 28 -9.632 -16.332 8.085 1.00 52.43 H new ATOM 0 HD1 TYR B 28 -9.240 -13.230 9.088 1.00 41.41 H new ATOM 0 HD2 TYR B 28 -10.968 -16.827 10.702 1.00 45.35 H new ATOM 0 HE1 TYR B 28 -8.953 -12.337 11.382 1.00 50.05 H new ATOM 0 HE2 TYR B 28 -10.663 -15.948 13.002 1.00 52.52 H new ATOM 0 HH TYR B 28 -9.981 -14.207 14.266 1.00 31.44 H new ATOM 1033 N LYS B 29 -11.730 -15.176 5.110 1.00 0.32 N ATOM 1034 CA LYS B 29 -11.891 -15.741 3.774 1.00 23.22 C ATOM 1035 C LYS B 29 -12.475 -14.654 2.883 1.00 70.42 C ATOM 1036 O LYS B 29 -13.447 -14.005 3.280 1.00 53.21 O ATOM 1037 CB LYS B 29 -12.688 -17.060 3.769 1.00 15.33 C ATOM 1038 CG LYS B 29 -14.216 -16.943 3.915 1.00 53.22 C ATOM 1039 CD LYS B 29 -14.910 -18.253 3.529 1.00 13.43 C ATOM 1040 CE LYS B 29 -16.434 -18.085 3.466 1.00 75.43 C ATOM 1041 NZ LYS B 29 -17.063 -18.046 4.801 1.00 61.24 N ATOM 0 H LYS B 29 -12.568 -14.707 5.456 1.00 0.32 H new ATOM 0 HA LYS B 29 -10.923 -16.042 3.374 1.00 23.22 H new ATOM 0 HB2 LYS B 29 -12.474 -17.584 2.837 1.00 15.33 H new ATOM 0 HB3 LYS B 29 -12.315 -17.686 4.580 1.00 15.33 H new ATOM 0 HG2 LYS B 29 -14.467 -16.684 4.944 1.00 53.22 H new ATOM 0 HG3 LYS B 29 -14.584 -16.134 3.284 1.00 53.22 H new ATOM 0 HD2 LYS B 29 -14.540 -18.590 2.561 1.00 13.43 H new ATOM 0 HD3 LYS B 29 -14.658 -19.027 4.254 1.00 13.43 H new ATOM 0 HE2 LYS B 29 -16.671 -17.165 2.931 1.00 75.43 H new ATOM 0 HE3 LYS B 29 -16.862 -18.907 2.892 1.00 75.43 H new ATOM 0 HZ1 LYS B 29 -18.091 -17.931 4.697 1.00 61.24 H new ATOM 0 HZ2 LYS B 29 -16.863 -18.933 5.305 1.00 61.24 H new ATOM 0 HZ3 LYS B 29 -16.678 -17.246 5.343 1.00 61.24 H new ATOM 1051 N ILE B 30 -11.852 -14.424 1.734 1.00 63.24 N ATOM 1052 CA ILE B 30 -12.219 -13.461 0.708 1.00 11.11 C ATOM 1053 C ILE B 30 -11.389 -13.828 -0.537 1.00 74.33 C ATOM 1054 O ILE B 30 -10.378 -14.527 -0.409 1.00 13.31 O ATOM 1055 CB ILE B 30 -12.043 -12.019 1.246 1.00 44.44 C ATOM 1056 CG1 ILE B 30 -12.540 -10.989 0.218 1.00 2.54 C ATOM 1057 CG2 ILE B 30 -10.632 -11.716 1.786 1.00 64.45 C ATOM 1058 CD1 ILE B 30 -12.975 -9.656 0.838 1.00 44.13 C ATOM 0 H ILE B 30 -11.014 -14.946 1.478 1.00 63.24 H new ATOM 0 HA ILE B 30 -13.271 -13.496 0.424 1.00 11.11 H new ATOM 0 HB ILE B 30 -12.678 -11.934 2.128 1.00 44.44 H new ATOM 0 HG12 ILE B 30 -11.747 -10.801 -0.506 1.00 2.54 H new ATOM 0 HG13 ILE B 30 -13.380 -11.414 -0.332 1.00 2.54 H new ATOM 0 HG21 ILE B 30 -10.592 -10.687 2.143 1.00 64.45 H new ATOM 0 HG22 ILE B 30 -10.404 -12.394 2.608 1.00 64.45 H new ATOM 0 HG23 ILE B 30 -9.901 -11.852 0.989 1.00 64.45 H new ATOM 0 HD11 ILE B 30 -13.313 -8.982 0.051 1.00 44.13 H new ATOM 0 HD12 ILE B 30 -13.790 -9.830 1.541 1.00 44.13 H new ATOM 0 HD13 ILE B 30 -12.132 -9.207 1.364 1.00 44.13 H new ATOM 1069 N THR B 31 -11.789 -13.377 -1.727 1.00 55.04 N ATOM 1070 CA THR B 31 -11.112 -13.658 -2.994 1.00 25.23 C ATOM 1071 C THR B 31 -10.704 -12.346 -3.677 1.00 14.32 C ATOM 1072 O THR B 31 -10.960 -11.259 -3.143 1.00 43.23 O ATOM 1073 CB THR B 31 -12.049 -14.505 -3.878 1.00 12.24 C ATOM 1074 OG1 THR B 31 -13.244 -13.790 -4.118 1.00 23.05 O ATOM 1075 CG2 THR B 31 -12.395 -15.866 -3.263 1.00 60.24 C ATOM 0 H THR B 31 -12.616 -12.790 -1.839 1.00 55.04 H new ATOM 0 HA THR B 31 -10.197 -14.224 -2.820 1.00 25.23 H new ATOM 0 HB THR B 31 -11.514 -14.699 -4.807 1.00 12.24 H new ATOM 0 HG1 THR B 31 -13.839 -14.327 -4.681 1.00 23.05 H new ATOM 0 HG21 THR B 31 -13.057 -16.411 -3.935 1.00 60.24 H new ATOM 0 HG22 THR B 31 -11.481 -16.439 -3.110 1.00 60.24 H new ATOM 0 HG23 THR B 31 -12.894 -15.716 -2.305 1.00 60.24 H new ATOM 1083 N ALA B 32 -10.020 -12.425 -4.825 1.00 43.51 N ATOM 1084 CA ALA B 32 -9.609 -11.236 -5.567 1.00 43.50 C ATOM 1085 C ALA B 32 -10.850 -10.518 -6.091 1.00 1.24 C ATOM 1086 O ALA B 32 -10.941 -9.298 -6.005 1.00 45.21 O ATOM 1087 CB ALA B 32 -8.712 -11.626 -6.748 1.00 20.44 C ATOM 0 H ALA B 32 -9.741 -13.305 -5.258 1.00 43.51 H new ATOM 0 HA ALA B 32 -9.049 -10.579 -4.902 1.00 43.50 H new ATOM 0 HB1 ALA B 32 -8.414 -10.729 -7.291 1.00 20.44 H new ATOM 0 HB2 ALA B 32 -7.824 -12.137 -6.377 1.00 20.44 H new ATOM 0 HB3 ALA B 32 -9.260 -12.290 -7.417 1.00 20.44 H new ATOM 1093 N GLU B 33 -11.799 -11.298 -6.605 1.00 25.43 N ATOM 1094 CA GLU B 33 -13.053 -10.836 -7.167 1.00 20.31 C ATOM 1095 C GLU B 33 -13.841 -10.043 -6.132 1.00 21.23 C ATOM 1096 O GLU B 33 -14.305 -8.954 -6.449 1.00 22.02 O ATOM 1097 CB GLU B 33 -13.835 -12.044 -7.697 1.00 43.44 C ATOM 1098 CG GLU B 33 -13.132 -12.605 -8.936 1.00 1.15 C ATOM 1099 CD GLU B 33 -13.765 -13.896 -9.428 1.00 0.42 C ATOM 1100 OE1 GLU B 33 -14.700 -13.822 -10.253 1.00 72.23 O ATOM 1101 OE2 GLU B 33 -13.248 -14.977 -9.056 1.00 30.31 O ATOM 0 H GLU B 33 -11.704 -12.313 -6.640 1.00 25.43 H new ATOM 0 HA GLU B 33 -12.866 -10.159 -8.001 1.00 20.31 H new ATOM 0 HB2 GLU B 33 -13.905 -12.812 -6.927 1.00 43.44 H new ATOM 0 HB3 GLU B 33 -14.854 -11.750 -7.946 1.00 43.44 H new ATOM 0 HG2 GLU B 33 -13.161 -11.863 -9.734 1.00 1.15 H new ATOM 0 HG3 GLU B 33 -12.082 -12.784 -8.705 1.00 1.15 H new ATOM 1106 N GLU B 34 -13.964 -10.537 -4.897 1.00 72.45 N ATOM 1107 CA GLU B 34 -14.694 -9.830 -3.848 1.00 4.54 C ATOM 1108 C GLU B 34 -14.018 -8.491 -3.527 1.00 12.41 C ATOM 1109 O GLU B 34 -14.701 -7.488 -3.319 1.00 64.41 O ATOM 1110 CB GLU B 34 -14.736 -10.696 -2.586 1.00 0.34 C ATOM 1111 CG GLU B 34 -15.693 -11.888 -2.669 1.00 32.10 C ATOM 1112 CD GLU B 34 -17.159 -11.463 -2.717 1.00 45.43 C ATOM 1113 OE1 GLU B 34 -17.727 -11.175 -1.637 1.00 21.10 O ATOM 1114 OE2 GLU B 34 -17.741 -11.455 -3.827 1.00 52.35 O ATOM 0 H GLU B 34 -13.565 -11.428 -4.601 1.00 72.45 H new ATOM 0 HA GLU B 34 -15.707 -9.634 -4.198 1.00 4.54 H new ATOM 0 HB2 GLU B 34 -13.731 -11.066 -2.380 1.00 0.34 H new ATOM 0 HB3 GLU B 34 -15.025 -10.071 -1.741 1.00 0.34 H new ATOM 0 HG2 GLU B 34 -15.460 -12.475 -3.557 1.00 32.10 H new ATOM 0 HG3 GLU B 34 -15.535 -12.537 -1.807 1.00 32.10 H new ATOM 1119 N MET B 35 -12.682 -8.466 -3.466 1.00 31.52 N ATOM 1120 CA MET B 35 -11.939 -7.247 -3.171 1.00 75.14 C ATOM 1121 C MET B 35 -12.170 -6.223 -4.278 1.00 35.41 C ATOM 1122 O MET B 35 -12.585 -5.102 -3.988 1.00 72.04 O ATOM 1123 CB MET B 35 -10.442 -7.540 -2.986 1.00 33.24 C ATOM 1124 CG MET B 35 -10.172 -8.254 -1.658 1.00 55.21 C ATOM 1125 SD MET B 35 -10.514 -7.306 -0.149 1.00 42.42 S ATOM 1126 CE MET B 35 -9.057 -6.235 -0.096 1.00 62.10 C ATOM 0 H MET B 35 -12.094 -9.285 -3.619 1.00 31.52 H new ATOM 0 HA MET B 35 -12.304 -6.833 -2.231 1.00 75.14 H new ATOM 0 HB2 MET B 35 -10.086 -8.157 -3.811 1.00 33.24 H new ATOM 0 HB3 MET B 35 -9.880 -6.607 -3.020 1.00 33.24 H new ATOM 0 HG2 MET B 35 -10.770 -9.165 -1.632 1.00 55.21 H new ATOM 0 HG3 MET B 35 -9.126 -8.559 -1.640 1.00 55.21 H new ATOM 0 HE1 MET B 35 -9.114 -5.586 0.778 1.00 62.10 H new ATOM 0 HE2 MET B 35 -8.157 -6.847 -0.035 1.00 62.10 H new ATOM 0 HE3 MET B 35 -9.021 -5.625 -0.999 1.00 62.10 H new ATOM 1134 N TYR B 36 -11.887 -6.584 -5.531 1.00 14.00 N ATOM 1135 CA TYR B 36 -12.078 -5.668 -6.647 1.00 71.51 C ATOM 1136 C TYR B 36 -13.554 -5.304 -6.812 1.00 44.54 C ATOM 1137 O TYR B 36 -13.834 -4.209 -7.302 1.00 31.24 O ATOM 1138 CB TYR B 36 -11.447 -6.228 -7.931 1.00 2.11 C ATOM 1139 CG TYR B 36 -9.959 -5.930 -8.012 1.00 25.11 C ATOM 1140 CD1 TYR B 36 -9.033 -6.728 -7.315 1.00 72.22 C ATOM 1141 CD2 TYR B 36 -9.502 -4.809 -8.732 1.00 5.24 C ATOM 1142 CE1 TYR B 36 -7.665 -6.409 -7.333 1.00 41.14 C ATOM 1143 CE2 TYR B 36 -8.134 -4.479 -8.749 1.00 64.55 C ATOM 1144 CZ TYR B 36 -7.205 -5.281 -8.048 1.00 64.21 C ATOM 1145 OH TYR B 36 -5.877 -4.980 -8.067 1.00 10.31 O ATOM 0 H TYR B 36 -11.526 -7.501 -5.793 1.00 14.00 H new ATOM 0 HA TYR B 36 -11.556 -4.736 -6.428 1.00 71.51 H new ATOM 0 HB2 TYR B 36 -11.603 -7.306 -7.971 1.00 2.11 H new ATOM 0 HB3 TYR B 36 -11.950 -5.800 -8.798 1.00 2.11 H new ATOM 0 HD1 TYR B 36 -9.376 -7.591 -6.763 1.00 72.22 H new ATOM 0 HD2 TYR B 36 -10.207 -4.198 -9.275 1.00 5.24 H new ATOM 0 HE1 TYR B 36 -6.962 -7.029 -6.797 1.00 41.14 H new ATOM 0 HE2 TYR B 36 -7.794 -3.613 -9.298 1.00 64.55 H new ATOM 0 HH TYR B 36 -5.377 -5.674 -7.589 1.00 10.31 H new ATOM 1154 N ASP B 37 -14.491 -6.145 -6.365 1.00 40.12 N ATOM 1155 CA ASP B 37 -15.912 -5.856 -6.473 1.00 62.11 C ATOM 1156 C ASP B 37 -16.280 -4.711 -5.537 1.00 75.13 C ATOM 1157 O ASP B 37 -16.792 -3.688 -5.990 1.00 73.34 O ATOM 1158 CB ASP B 37 -16.804 -7.062 -6.157 1.00 31.14 C ATOM 1159 CG ASP B 37 -18.267 -6.629 -6.231 1.00 35.23 C ATOM 1160 OD1 ASP B 37 -18.732 -6.342 -7.359 1.00 21.23 O ATOM 1161 OD2 ASP B 37 -18.964 -6.551 -5.194 1.00 24.01 O ATOM 0 H ASP B 37 -14.281 -7.039 -5.921 1.00 40.12 H new ATOM 0 HA ASP B 37 -16.091 -5.584 -7.513 1.00 62.11 H new ATOM 0 HB2 ASP B 37 -16.613 -7.868 -6.866 1.00 31.14 H new ATOM 0 HB3 ASP B 37 -16.576 -7.450 -5.164 1.00 31.14 H new ATOM 1165 N ILE B 38 -16.010 -4.888 -4.241 1.00 65.05 N ATOM 1166 CA ILE B 38 -16.297 -3.934 -3.178 1.00 54.33 C ATOM 1167 C ILE B 38 -15.559 -2.618 -3.428 1.00 44.12 C ATOM 1168 O ILE B 38 -16.185 -1.561 -3.505 1.00 74.31 O ATOM 1169 CB ILE B 38 -15.935 -4.558 -1.805 1.00 43.42 C ATOM 1170 CG1 ILE B 38 -16.803 -5.804 -1.508 1.00 31.30 C ATOM 1171 CG2 ILE B 38 -16.094 -3.546 -0.649 1.00 32.31 C ATOM 1172 CD1 ILE B 38 -16.198 -6.688 -0.409 1.00 11.40 C ATOM 0 H ILE B 38 -15.566 -5.738 -3.894 1.00 65.05 H new ATOM 0 HA ILE B 38 -17.363 -3.704 -3.169 1.00 54.33 H new ATOM 0 HB ILE B 38 -14.888 -4.852 -1.869 1.00 43.42 H new ATOM 0 HG12 ILE B 38 -17.801 -5.485 -1.206 1.00 31.30 H new ATOM 0 HG13 ILE B 38 -16.918 -6.390 -2.420 1.00 31.30 H new ATOM 0 HG21 ILE B 38 -15.830 -4.026 0.293 1.00 32.31 H new ATOM 0 HG22 ILE B 38 -15.436 -2.693 -0.819 1.00 32.31 H new ATOM 0 HG23 ILE B 38 -17.128 -3.204 -0.605 1.00 32.31 H new ATOM 0 HD11 ILE B 38 -16.844 -7.549 -0.238 1.00 11.40 H new ATOM 0 HD12 ILE B 38 -15.211 -7.031 -0.720 1.00 11.40 H new ATOM 0 HD13 ILE B 38 -16.108 -6.113 0.512 1.00 11.40 H new ATOM 1183 N PHE B 39 -14.228 -2.664 -3.529 1.00 15.35 N ATOM 1184 CA PHE B 39 -13.427 -1.466 -3.737 1.00 73.03 C ATOM 1185 C PHE B 39 -13.695 -0.801 -5.089 1.00 3.43 C ATOM 1186 O PHE B 39 -13.473 0.410 -5.210 1.00 35.41 O ATOM 1187 CB PHE B 39 -11.941 -1.793 -3.529 1.00 22.03 C ATOM 1188 CG PHE B 39 -11.580 -1.960 -2.064 1.00 73.44 C ATOM 1189 CD1 PHE B 39 -11.318 -0.816 -1.295 1.00 44.40 C ATOM 1190 CD2 PHE B 39 -11.579 -3.223 -1.443 1.00 61.55 C ATOM 1191 CE1 PHE B 39 -11.086 -0.919 0.083 1.00 23.51 C ATOM 1192 CE2 PHE B 39 -11.350 -3.332 -0.062 1.00 61.35 C ATOM 1193 CZ PHE B 39 -11.116 -2.179 0.702 1.00 41.14 C ATOM 0 H PHE B 39 -13.685 -3.525 -3.469 1.00 15.35 H new ATOM 0 HA PHE B 39 -13.725 -0.727 -2.993 1.00 73.03 H new ATOM 0 HB2 PHE B 39 -11.696 -2.709 -4.067 1.00 22.03 H new ATOM 0 HB3 PHE B 39 -11.334 -0.997 -3.961 1.00 22.03 H new ATOM 0 HD1 PHE B 39 -11.295 0.154 -1.770 1.00 44.40 H new ATOM 0 HD2 PHE B 39 -11.755 -4.112 -2.031 1.00 61.55 H new ATOM 0 HE1 PHE B 39 -10.885 -0.033 0.667 1.00 23.51 H new ATOM 0 HE2 PHE B 39 -11.354 -4.303 0.412 1.00 61.35 H new ATOM 0 HZ PHE B 39 -10.959 -2.261 1.767 1.00 41.14 H new ATOM 1202 N GLY B 40 -14.207 -1.544 -6.074 1.00 11.22 N ATOM 1203 CA GLY B 40 -14.493 -1.023 -7.400 1.00 64.11 C ATOM 1204 C GLY B 40 -15.728 -0.140 -7.462 1.00 25.11 C ATOM 1205 O GLY B 40 -15.878 0.648 -8.398 1.00 20.04 O ATOM 0 H GLY B 40 -14.434 -2.532 -5.965 1.00 11.22 H new ATOM 0 HA2 GLY B 40 -13.632 -0.452 -7.749 1.00 64.11 H new ATOM 0 HA3 GLY B 40 -14.621 -1.859 -8.088 1.00 64.11 H new ATOM 1209 N LYS B 41 -16.603 -0.213 -6.457 1.00 3.04 N ATOM 1210 CA LYS B 41 -17.818 0.601 -6.404 1.00 52.14 C ATOM 1211 C LYS B 41 -17.489 2.075 -6.175 1.00 0.34 C ATOM 1212 O LYS B 41 -18.383 2.915 -6.278 1.00 31.21 O ATOM 1213 CB LYS B 41 -18.761 0.044 -5.332 1.00 52.13 C ATOM 1214 CG LYS B 41 -19.266 -1.345 -5.757 1.00 20.02 C ATOM 1215 CD LYS B 41 -19.746 -2.167 -4.565 1.00 43.51 C ATOM 1216 CE LYS B 41 -19.972 -3.608 -5.023 1.00 45.14 C ATOM 1217 NZ LYS B 41 -20.598 -4.419 -3.968 1.00 1.24 N ATOM 0 H LYS B 41 -16.489 -0.837 -5.658 1.00 3.04 H new ATOM 0 HA LYS B 41 -18.327 0.547 -7.366 1.00 52.14 H new ATOM 0 HB2 LYS B 41 -18.241 -0.024 -4.376 1.00 52.13 H new ATOM 0 HB3 LYS B 41 -19.604 0.720 -5.189 1.00 52.13 H new ATOM 0 HG2 LYS B 41 -20.082 -1.232 -6.471 1.00 20.02 H new ATOM 0 HG3 LYS B 41 -18.466 -1.881 -6.269 1.00 20.02 H new ATOM 0 HD2 LYS B 41 -19.008 -2.137 -3.763 1.00 43.51 H new ATOM 0 HD3 LYS B 41 -20.669 -1.748 -4.165 1.00 43.51 H new ATOM 0 HE2 LYS B 41 -20.605 -3.613 -5.911 1.00 45.14 H new ATOM 0 HE3 LYS B 41 -19.019 -4.054 -5.308 1.00 45.14 H new ATOM 0 HZ1 LYS B 41 -20.268 -5.402 -4.044 1.00 1.24 H new ATOM 0 HZ2 LYS B 41 -20.338 -4.037 -3.036 1.00 1.24 H new ATOM 0 HZ3 LYS B 41 -21.632 -4.392 -4.077 1.00 1.24 H new ATOM 1227 N TYR B 42 -16.230 2.401 -5.874 1.00 72.45 N ATOM 1228 CA TYR B 42 -15.766 3.758 -5.650 1.00 41.31 C ATOM 1229 C TYR B 42 -14.959 4.276 -6.857 1.00 61.23 C ATOM 1230 O TYR B 42 -14.637 5.469 -6.891 1.00 30.24 O ATOM 1231 CB TYR B 42 -14.977 3.817 -4.336 1.00 50.12 C ATOM 1232 CG TYR B 42 -15.687 3.214 -3.131 1.00 21.54 C ATOM 1233 CD1 TYR B 42 -16.900 3.766 -2.678 1.00 60.23 C ATOM 1234 CD2 TYR B 42 -15.153 2.089 -2.471 1.00 73.32 C ATOM 1235 CE1 TYR B 42 -17.586 3.201 -1.589 1.00 65.04 C ATOM 1236 CE2 TYR B 42 -15.828 1.517 -1.377 1.00 0.34 C ATOM 1237 CZ TYR B 42 -17.055 2.068 -0.937 1.00 42.12 C ATOM 1238 OH TYR B 42 -17.723 1.491 0.099 1.00 10.22 O ATOM 0 H TYR B 42 -15.491 1.705 -5.778 1.00 72.45 H new ATOM 0 HA TYR B 42 -16.622 4.426 -5.554 1.00 41.31 H new ATOM 0 HB2 TYR B 42 -14.028 3.299 -4.476 1.00 50.12 H new ATOM 0 HB3 TYR B 42 -14.743 4.859 -4.117 1.00 50.12 H new ATOM 0 HD1 TYR B 42 -17.309 4.634 -3.173 1.00 60.23 H new ATOM 0 HD2 TYR B 42 -14.219 1.663 -2.807 1.00 73.32 H new ATOM 0 HE1 TYR B 42 -18.517 3.633 -1.252 1.00 65.04 H new ATOM 0 HE2 TYR B 42 -15.410 0.658 -0.873 1.00 0.34 H new ATOM 0 HH TYR B 42 -17.795 0.526 -0.055 1.00 10.22 H new ATOM 1247 N GLY B 43 -14.657 3.426 -7.849 1.00 1.01 N ATOM 1248 CA GLY B 43 -13.913 3.749 -9.063 1.00 70.01 C ATOM 1249 C GLY B 43 -12.859 2.677 -9.376 1.00 44.25 C ATOM 1250 O GLY B 43 -12.815 1.648 -8.692 1.00 23.11 O ATOM 0 H GLY B 43 -14.942 2.447 -7.819 1.00 1.01 H new ATOM 0 HA2 GLY B 43 -14.603 3.838 -9.902 1.00 70.01 H new ATOM 0 HA3 GLY B 43 -13.426 4.717 -8.946 1.00 70.01 H new ATOM 1254 N PRO B 44 -12.010 2.890 -10.402 1.00 21.12 N ATOM 1255 CA PRO B 44 -10.951 1.950 -10.771 1.00 53.41 C ATOM 1256 C PRO B 44 -9.946 1.820 -9.616 1.00 52.42 C ATOM 1257 O PRO B 44 -9.970 2.620 -8.677 1.00 13.44 O ATOM 1258 CB PRO B 44 -10.336 2.495 -12.062 1.00 12.12 C ATOM 1259 CG PRO B 44 -10.678 3.982 -12.058 1.00 64.24 C ATOM 1260 CD PRO B 44 -11.986 4.058 -11.270 1.00 32.23 C ATOM 0 HA PRO B 44 -11.318 0.939 -10.948 1.00 53.41 H new ATOM 0 HB2 PRO B 44 -9.258 2.337 -12.084 1.00 12.12 H new ATOM 0 HB3 PRO B 44 -10.749 1.996 -12.939 1.00 12.12 H new ATOM 0 HG2 PRO B 44 -9.892 4.571 -11.585 1.00 64.24 H new ATOM 0 HG3 PRO B 44 -10.799 4.367 -13.071 1.00 64.24 H new ATOM 0 HD2 PRO B 44 -12.035 4.977 -10.686 1.00 32.23 H new ATOM 0 HD3 PRO B 44 -12.845 4.061 -11.942 1.00 32.23 H new ATOM 1265 N ILE B 45 -9.028 0.851 -9.668 1.00 41.53 N ATOM 1266 CA ILE B 45 -8.036 0.617 -8.613 1.00 4.23 C ATOM 1267 C ILE B 45 -6.645 0.503 -9.243 1.00 30.44 C ATOM 1268 O ILE B 45 -6.503 0.004 -10.362 1.00 42.53 O ATOM 1269 CB ILE B 45 -8.437 -0.653 -7.814 1.00 22.22 C ATOM 1270 CG1 ILE B 45 -9.839 -0.510 -7.171 1.00 14.33 C ATOM 1271 CG2 ILE B 45 -7.412 -0.992 -6.712 1.00 51.34 C ATOM 1272 CD1 ILE B 45 -10.386 -1.822 -6.603 1.00 53.32 C ATOM 0 H ILE B 45 -8.951 0.201 -10.450 1.00 41.53 H new ATOM 0 HA ILE B 45 -8.006 1.451 -7.912 1.00 4.23 H new ATOM 0 HB ILE B 45 -8.458 -1.467 -8.539 1.00 22.22 H new ATOM 0 HG12 ILE B 45 -9.790 0.230 -6.372 1.00 14.33 H new ATOM 0 HG13 ILE B 45 -10.535 -0.128 -7.918 1.00 14.33 H new ATOM 0 HG21 ILE B 45 -7.733 -1.887 -6.179 1.00 51.34 H new ATOM 0 HG22 ILE B 45 -6.436 -1.170 -7.165 1.00 51.34 H new ATOM 0 HG23 ILE B 45 -7.341 -0.159 -6.012 1.00 51.34 H new ATOM 0 HD11 ILE B 45 -11.370 -1.648 -6.169 1.00 53.32 H new ATOM 0 HD12 ILE B 45 -10.467 -2.559 -7.402 1.00 53.32 H new ATOM 0 HD13 ILE B 45 -9.710 -2.195 -5.833 1.00 53.32 H new ATOM 1283 N ARG B 46 -5.608 0.988 -8.550 1.00 21.51 N ATOM 1284 CA ARG B 46 -4.229 0.908 -9.031 1.00 13.42 C ATOM 1285 C ARG B 46 -3.735 -0.510 -8.765 1.00 1.23 C ATOM 1286 O ARG B 46 -3.404 -1.224 -9.704 1.00 64.44 O ATOM 1287 CB ARG B 46 -3.328 1.965 -8.352 1.00 24.10 C ATOM 1288 CG ARG B 46 -1.820 1.837 -8.659 1.00 61.12 C ATOM 1289 CD ARG B 46 -1.457 2.283 -10.074 1.00 64.12 C ATOM 1290 NE ARG B 46 -1.393 3.756 -10.185 1.00 70.34 N ATOM 1291 CZ ARG B 46 -1.896 4.480 -11.191 1.00 23.34 C ATOM 1292 NH1 ARG B 46 -2.437 3.890 -12.242 1.00 12.01 N ATOM 1293 NH2 ARG B 46 -1.881 5.807 -11.125 1.00 42.33 N ATOM 0 H ARG B 46 -5.703 1.445 -7.643 1.00 21.51 H new ATOM 0 HA ARG B 46 -4.188 1.125 -10.098 1.00 13.42 H new ATOM 0 HB2 ARG B 46 -3.662 2.956 -8.659 1.00 24.10 H new ATOM 0 HB3 ARG B 46 -3.470 1.901 -7.273 1.00 24.10 H new ATOM 0 HG2 ARG B 46 -1.257 2.433 -7.941 1.00 61.12 H new ATOM 0 HG3 ARG B 46 -1.514 0.800 -8.522 1.00 61.12 H new ATOM 0 HD2 ARG B 46 -0.495 1.855 -10.355 1.00 64.12 H new ATOM 0 HD3 ARG B 46 -2.195 1.897 -10.777 1.00 64.12 H new ATOM 0 HE ARG B 46 -0.927 4.262 -9.432 1.00 70.34 H new ATOM 0 HH11 ARG B 46 -2.474 2.872 -12.292 1.00 12.01 H new ATOM 0 HH12 ARG B 46 -2.817 4.453 -13.003 1.00 12.01 H new ATOM 0 HH21 ARG B 46 -1.486 6.273 -10.308 1.00 42.33 H new ATOM 0 HH22 ARG B 46 -2.264 6.360 -11.892 1.00 42.33 H new ATOM 1304 N GLN B 47 -3.653 -0.911 -7.492 1.00 50.44 N ATOM 1305 CA GLN B 47 -3.174 -2.225 -7.077 1.00 51.11 C ATOM 1306 C GLN B 47 -3.669 -2.518 -5.655 1.00 2.34 C ATOM 1307 O GLN B 47 -4.125 -1.608 -4.951 1.00 74.21 O ATOM 1308 CB GLN B 47 -1.632 -2.175 -7.135 1.00 14.45 C ATOM 1309 CG GLN B 47 -0.916 -3.522 -6.956 1.00 72.35 C ATOM 1310 CD GLN B 47 0.586 -3.412 -7.221 1.00 0.12 C ATOM 1311 OE1 GLN B 47 1.176 -4.239 -7.910 1.00 4.34 O ATOM 1312 NE2 GLN B 47 1.276 -2.447 -6.638 1.00 3.22 N ATOM 0 H GLN B 47 -3.924 -0.316 -6.709 1.00 50.44 H new ATOM 0 HA GLN B 47 -3.546 -3.019 -7.724 1.00 51.11 H new ATOM 0 HB2 GLN B 47 -1.336 -1.752 -8.095 1.00 14.45 H new ATOM 0 HB3 GLN B 47 -1.279 -1.491 -6.363 1.00 14.45 H new ATOM 0 HG2 GLN B 47 -1.079 -3.888 -5.942 1.00 72.35 H new ATOM 0 HG3 GLN B 47 -1.351 -4.257 -7.634 1.00 72.35 H new ATOM 0 HE21 GLN B 47 0.797 -1.754 -6.063 1.00 3.22 H new ATOM 0 HE22 GLN B 47 2.287 -2.396 -6.763 1.00 3.22 H new ATOM 1319 N ILE B 48 -3.575 -3.778 -5.221 1.00 2.13 N ATOM 1320 CA ILE B 48 -3.972 -4.250 -3.899 1.00 51.45 C ATOM 1321 C ILE B 48 -2.894 -5.234 -3.417 1.00 5.12 C ATOM 1322 O ILE B 48 -2.273 -5.948 -4.211 1.00 52.42 O ATOM 1323 CB ILE B 48 -5.386 -4.900 -3.940 1.00 74.24 C ATOM 1324 CG1 ILE B 48 -6.448 -3.965 -4.570 1.00 40.33 C ATOM 1325 CG2 ILE B 48 -5.834 -5.295 -2.521 1.00 71.01 C ATOM 1326 CD1 ILE B 48 -7.894 -4.480 -4.506 1.00 53.20 C ATOM 0 H ILE B 48 -3.204 -4.525 -5.808 1.00 2.13 H new ATOM 0 HA ILE B 48 -4.046 -3.419 -3.198 1.00 51.45 H new ATOM 0 HB ILE B 48 -5.307 -5.787 -4.568 1.00 74.24 H new ATOM 0 HG12 ILE B 48 -6.401 -2.998 -4.068 1.00 40.33 H new ATOM 0 HG13 ILE B 48 -6.186 -3.795 -5.614 1.00 40.33 H new ATOM 0 HG21 ILE B 48 -6.824 -5.748 -2.565 1.00 71.01 H new ATOM 0 HG22 ILE B 48 -5.126 -6.010 -2.102 1.00 71.01 H new ATOM 0 HG23 ILE B 48 -5.869 -4.407 -1.890 1.00 71.01 H new ATOM 0 HD11 ILE B 48 -8.560 -3.754 -4.973 1.00 53.20 H new ATOM 0 HD12 ILE B 48 -7.965 -5.431 -5.035 1.00 53.20 H new ATOM 0 HD13 ILE B 48 -8.184 -4.621 -3.465 1.00 53.20 H new ATOM 1337 N ARG B 49 -2.644 -5.258 -2.105 1.00 2.34 N ATOM 1338 CA ARG B 49 -1.697 -6.134 -1.421 1.00 14.20 C ATOM 1339 C ARG B 49 -2.437 -6.588 -0.177 1.00 22.54 C ATOM 1340 O ARG B 49 -2.978 -5.752 0.552 1.00 12.44 O ATOM 1341 CB ARG B 49 -0.367 -5.454 -1.052 1.00 32.35 C ATOM 1342 CG ARG B 49 0.616 -5.368 -2.229 1.00 40.31 C ATOM 1343 CD ARG B 49 1.994 -4.896 -1.755 1.00 24.44 C ATOM 1344 NE ARG B 49 2.985 -4.932 -2.843 1.00 15.05 N ATOM 1345 CZ ARG B 49 4.314 -5.005 -2.700 1.00 44.42 C ATOM 1346 NH1 ARG B 49 4.908 -4.884 -1.518 1.00 42.31 N ATOM 1347 NH2 ARG B 49 5.080 -5.194 -3.758 1.00 21.24 N ATOM 0 H ARG B 49 -3.124 -4.632 -1.459 1.00 2.34 H new ATOM 0 HA ARG B 49 -1.397 -6.954 -2.074 1.00 14.20 H new ATOM 0 HB2 ARG B 49 -0.571 -4.449 -0.683 1.00 32.35 H new ATOM 0 HB3 ARG B 49 0.101 -6.005 -0.236 1.00 32.35 H new ATOM 0 HG2 ARG B 49 0.705 -6.344 -2.706 1.00 40.31 H new ATOM 0 HG3 ARG B 49 0.230 -4.680 -2.981 1.00 40.31 H new ATOM 0 HD2 ARG B 49 1.917 -3.881 -1.366 1.00 24.44 H new ATOM 0 HD3 ARG B 49 2.332 -5.527 -0.933 1.00 24.44 H new ATOM 0 HE ARG B 49 2.625 -4.898 -3.797 1.00 15.05 H new ATOM 0 HH11 ARG B 49 4.348 -4.730 -0.679 1.00 42.31 H new ATOM 0 HH12 ARG B 49 5.924 -4.945 -1.449 1.00 42.31 H new ATOM 0 HH21 ARG B 49 4.659 -5.284 -4.683 1.00 21.24 H new ATOM 0 HH22 ARG B 49 6.093 -5.250 -3.651 1.00 21.24 H new ATOM 1358 N VAL B 50 -2.512 -7.896 0.042 1.00 51.21 N ATOM 1359 CA VAL B 50 -3.207 -8.480 1.184 1.00 75.21 C ATOM 1360 C VAL B 50 -2.224 -9.314 2.007 1.00 44.53 C ATOM 1361 O VAL B 50 -1.115 -9.621 1.547 1.00 2.32 O ATOM 1362 CB VAL B 50 -4.478 -9.231 0.715 1.00 71.14 C ATOM 1363 CG1 VAL B 50 -5.440 -8.306 -0.045 1.00 72.23 C ATOM 1364 CG2 VAL B 50 -4.178 -10.446 -0.170 1.00 12.00 C ATOM 0 H VAL B 50 -2.087 -8.588 -0.575 1.00 51.21 H new ATOM 0 HA VAL B 50 -3.574 -7.705 1.857 1.00 75.21 H new ATOM 0 HB VAL B 50 -4.944 -9.583 1.635 1.00 71.14 H new ATOM 0 HG11 VAL B 50 -6.318 -8.871 -0.357 1.00 72.23 H new ATOM 0 HG12 VAL B 50 -5.747 -7.487 0.605 1.00 72.23 H new ATOM 0 HG13 VAL B 50 -4.938 -7.902 -0.924 1.00 72.23 H new ATOM 0 HG21 VAL B 50 -5.113 -10.924 -0.461 1.00 12.00 H new ATOM 0 HG22 VAL B 50 -3.642 -10.123 -1.062 1.00 12.00 H new ATOM 0 HG23 VAL B 50 -3.565 -11.157 0.384 1.00 12.00 H new ATOM 1374 N GLY B 51 -2.617 -9.645 3.234 1.00 22.31 N ATOM 1375 CA GLY B 51 -1.824 -10.418 4.173 1.00 44.40 C ATOM 1376 C GLY B 51 -1.497 -11.782 3.585 1.00 71.15 C ATOM 1377 O GLY B 51 -2.260 -12.335 2.784 1.00 63.24 O ATOM 0 H GLY B 51 -3.525 -9.372 3.610 1.00 22.31 H new ATOM 0 HA2 GLY B 51 -0.903 -9.885 4.408 1.00 44.40 H new ATOM 0 HA3 GLY B 51 -2.370 -10.538 5.109 1.00 44.40 H new ATOM 1381 N ASN B 52 -0.317 -12.295 3.917 1.00 1.33 N ATOM 1382 CA ASN B 52 0.157 -13.585 3.450 1.00 25.55 C ATOM 1383 C ASN B 52 0.509 -14.423 4.667 1.00 24.24 C ATOM 1384 O ASN B 52 -0.060 -15.500 4.852 1.00 42.55 O ATOM 1385 CB ASN B 52 1.325 -13.414 2.473 1.00 54.12 C ATOM 1386 CG ASN B 52 1.629 -14.751 1.823 1.00 21.00 C ATOM 1387 OD1 ASN B 52 0.854 -15.218 0.994 1.00 30.41 O ATOM 1388 ND2 ASN B 52 2.730 -15.386 2.176 1.00 53.50 N ATOM 0 H ASN B 52 0.344 -11.816 4.528 1.00 1.33 H new ATOM 0 HA ASN B 52 -0.618 -14.106 2.887 1.00 25.55 H new ATOM 0 HB2 ASN B 52 1.074 -12.675 1.712 1.00 54.12 H new ATOM 0 HB3 ASN B 52 2.204 -13.043 3.000 1.00 54.12 H new ATOM 0 HD21 ASN B 52 2.955 -16.288 1.757 1.00 53.50 H new ATOM 0 HD22 ASN B 52 3.357 -14.975 2.868 1.00 53.50 H new ATOM 1394 N THR B 53 1.437 -13.937 5.492 1.00 12.21 N ATOM 1395 CA THR B 53 1.853 -14.611 6.712 1.00 73.03 C ATOM 1396 C THR B 53 0.678 -14.630 7.709 1.00 74.13 C ATOM 1397 O THR B 53 -0.239 -13.806 7.614 1.00 3.12 O ATOM 1398 CB THR B 53 3.101 -13.904 7.280 1.00 10.02 C ATOM 1399 OG1 THR B 53 3.091 -12.517 7.013 1.00 53.21 O ATOM 1400 CG2 THR B 53 4.369 -14.454 6.624 1.00 1.22 C ATOM 0 H THR B 53 1.923 -13.056 5.326 1.00 12.21 H new ATOM 0 HA THR B 53 2.126 -15.647 6.511 1.00 73.03 H new ATOM 0 HB THR B 53 3.087 -14.083 8.355 1.00 10.02 H new ATOM 0 HG1 THR B 53 2.170 -12.183 7.051 1.00 53.21 H new ATOM 0 HG21 THR B 53 5.241 -13.945 7.035 1.00 1.22 H new ATOM 0 HG22 THR B 53 4.446 -15.523 6.821 1.00 1.22 H new ATOM 0 HG23 THR B 53 4.324 -14.286 5.548 1.00 1.22 H new ATOM 1408 N PRO B 54 0.710 -15.515 8.715 1.00 31.22 N ATOM 1409 CA PRO B 54 -0.357 -15.629 9.699 1.00 33.10 C ATOM 1410 C PRO B 54 -0.523 -14.416 10.623 1.00 71.25 C ATOM 1411 O PRO B 54 -1.536 -14.352 11.319 1.00 55.51 O ATOM 1412 CB PRO B 54 -0.049 -16.898 10.489 1.00 75.01 C ATOM 1413 CG PRO B 54 1.454 -17.075 10.329 1.00 12.34 C ATOM 1414 CD PRO B 54 1.725 -16.533 8.936 1.00 51.32 C ATOM 0 HA PRO B 54 -1.316 -15.673 9.183 1.00 33.10 H new ATOM 0 HB2 PRO B 54 -0.329 -16.794 11.537 1.00 75.01 H new ATOM 0 HB3 PRO B 54 -0.596 -17.755 10.097 1.00 75.01 H new ATOM 0 HG2 PRO B 54 2.007 -16.524 11.089 1.00 12.34 H new ATOM 0 HG3 PRO B 54 1.747 -18.121 10.417 1.00 12.34 H new ATOM 0 HD2 PRO B 54 2.727 -16.110 8.867 1.00 51.32 H new ATOM 0 HD3 PRO B 54 1.660 -17.323 8.187 1.00 51.32 H new ATOM 1419 N GLU B 55 0.399 -13.450 10.607 1.00 12.04 N ATOM 1420 CA GLU B 55 0.321 -12.266 11.461 1.00 43.13 C ATOM 1421 C GLU B 55 -0.094 -11.012 10.690 1.00 44.23 C ATOM 1422 O GLU B 55 -0.425 -10.003 11.310 1.00 31.32 O ATOM 1423 CB GLU B 55 1.652 -12.043 12.203 1.00 21.02 C ATOM 1424 CG GLU B 55 2.266 -13.321 12.798 1.00 33.41 C ATOM 1425 CD GLU B 55 1.281 -14.200 13.577 1.00 64.53 C ATOM 1426 OE1 GLU B 55 0.332 -13.675 14.208 1.00 21.02 O ATOM 1427 OE2 GLU B 55 1.444 -15.442 13.495 1.00 11.32 O ATOM 0 H GLU B 55 1.220 -13.468 10.001 1.00 12.04 H new ATOM 0 HA GLU B 55 -0.462 -12.454 12.196 1.00 43.13 H new ATOM 0 HB2 GLU B 55 2.369 -11.596 11.514 1.00 21.02 H new ATOM 0 HB3 GLU B 55 1.491 -11.323 13.006 1.00 21.02 H new ATOM 0 HG2 GLU B 55 2.698 -13.911 11.990 1.00 33.41 H new ATOM 0 HG3 GLU B 55 3.085 -13.040 13.461 1.00 33.41 H new ATOM 1432 N THR B 56 -0.106 -11.057 9.354 1.00 52.01 N ATOM 1433 CA THR B 56 -0.491 -9.920 8.522 1.00 42.42 C ATOM 1434 C THR B 56 -1.943 -10.048 8.039 1.00 33.13 C ATOM 1435 O THR B 56 -2.513 -9.114 7.475 1.00 72.32 O ATOM 1436 CB THR B 56 0.525 -9.752 7.382 1.00 64.22 C ATOM 1437 OG1 THR B 56 0.744 -10.990 6.734 1.00 31.14 O ATOM 1438 CG2 THR B 56 1.879 -9.265 7.914 1.00 73.51 C ATOM 0 H THR B 56 0.152 -11.887 8.821 1.00 52.01 H new ATOM 0 HA THR B 56 -0.466 -9.005 9.114 1.00 42.42 H new ATOM 0 HB THR B 56 0.112 -9.019 6.689 1.00 64.22 H new ATOM 0 HG1 THR B 56 1.311 -10.851 5.947 1.00 31.14 H new ATOM 0 HG21 THR B 56 2.578 -9.155 7.085 1.00 73.51 H new ATOM 0 HG22 THR B 56 1.750 -8.303 8.410 1.00 73.51 H new ATOM 0 HG23 THR B 56 2.272 -9.990 8.626 1.00 73.51 H new ATOM 1446 N ARG B 57 -2.553 -11.224 8.222 1.00 32.33 N ATOM 1447 CA ARG B 57 -3.936 -11.486 7.840 1.00 1.41 C ATOM 1448 C ARG B 57 -4.854 -10.681 8.762 1.00 15.40 C ATOM 1449 O ARG B 57 -4.523 -10.398 9.915 1.00 14.41 O ATOM 1450 CB ARG B 57 -4.248 -12.997 7.861 1.00 31.51 C ATOM 1451 CG ARG B 57 -3.734 -13.731 9.108 1.00 2.14 C ATOM 1452 CD ARG B 57 -4.103 -15.219 9.129 1.00 14.34 C ATOM 1453 NE ARG B 57 -5.483 -15.440 9.582 1.00 30.22 N ATOM 1454 CZ ARG B 57 -6.079 -16.628 9.717 1.00 32.44 C ATOM 1455 NH1 ARG B 57 -5.490 -17.737 9.279 1.00 41.43 N ATOM 1456 NH2 ARG B 57 -7.264 -16.703 10.314 1.00 74.44 N ATOM 0 H ARG B 57 -2.090 -12.028 8.646 1.00 32.33 H new ATOM 0 HA ARG B 57 -4.107 -11.166 6.812 1.00 1.41 H new ATOM 0 HB2 ARG B 57 -5.327 -13.134 7.792 1.00 31.51 H new ATOM 0 HB3 ARG B 57 -3.811 -13.459 6.976 1.00 31.51 H new ATOM 0 HG2 ARG B 57 -2.650 -13.632 9.159 1.00 2.14 H new ATOM 0 HG3 ARG B 57 -4.140 -13.250 9.998 1.00 2.14 H new ATOM 0 HD2 ARG B 57 -3.979 -15.637 8.130 1.00 14.34 H new ATOM 0 HD3 ARG B 57 -3.416 -15.753 9.786 1.00 14.34 H new ATOM 0 HE ARG B 57 -6.034 -14.614 9.814 1.00 30.22 H new ATOM 0 HH11 ARG B 57 -4.573 -17.686 8.834 1.00 41.43 H new ATOM 0 HH12 ARG B 57 -5.955 -18.638 9.388 1.00 41.43 H new ATOM 0 HH21 ARG B 57 -7.712 -15.857 10.666 1.00 74.44 H new ATOM 0 HH22 ARG B 57 -7.725 -17.607 10.421 1.00 74.44 H new ATOM 1467 N GLY B 58 -6.039 -10.339 8.265 1.00 21.23 N ATOM 1468 CA GLY B 58 -7.046 -9.569 8.980 1.00 63.22 C ATOM 1469 C GLY B 58 -7.033 -8.090 8.585 1.00 73.40 C ATOM 1470 O GLY B 58 -8.048 -7.409 8.780 1.00 65.14 O ATOM 0 H GLY B 58 -6.332 -10.600 7.323 1.00 21.23 H new ATOM 0 HA2 GLY B 58 -8.032 -9.988 8.779 1.00 63.22 H new ATOM 0 HA3 GLY B 58 -6.875 -9.658 10.053 1.00 63.22 H new ATOM 1474 N THR B 59 -5.940 -7.585 8.016 1.00 60.14 N ATOM 1475 CA THR B 59 -5.786 -6.207 7.564 1.00 41.22 C ATOM 1476 C THR B 59 -5.174 -6.266 6.153 1.00 54.04 C ATOM 1477 O THR B 59 -4.751 -7.343 5.717 1.00 25.33 O ATOM 1478 CB THR B 59 -4.988 -5.386 8.597 1.00 63.45 C ATOM 1479 OG1 THR B 59 -3.663 -5.832 8.708 1.00 5.44 O ATOM 1480 CG2 THR B 59 -5.569 -5.460 10.016 1.00 40.00 C ATOM 0 H THR B 59 -5.106 -8.148 7.852 1.00 60.14 H new ATOM 0 HA THR B 59 -6.736 -5.678 7.490 1.00 41.22 H new ATOM 0 HB THR B 59 -5.043 -4.365 8.218 1.00 63.45 H new ATOM 0 HG1 THR B 59 -3.112 -5.126 9.106 1.00 5.44 H new ATOM 0 HG21 THR B 59 -4.959 -4.860 10.691 1.00 40.00 H new ATOM 0 HG22 THR B 59 -6.589 -5.077 10.012 1.00 40.00 H new ATOM 0 HG23 THR B 59 -5.572 -6.496 10.354 1.00 40.00 H new ATOM 1488 N ALA B 60 -5.191 -5.175 5.380 1.00 5.23 N ATOM 1489 CA ALA B 60 -4.645 -5.153 4.016 1.00 61.05 C ATOM 1490 C ALA B 60 -4.438 -3.720 3.516 1.00 34.14 C ATOM 1491 O ALA B 60 -4.816 -2.782 4.213 1.00 73.51 O ATOM 1492 CB ALA B 60 -5.607 -5.879 3.072 1.00 64.33 C ATOM 0 H ALA B 60 -5.583 -4.283 5.681 1.00 5.23 H new ATOM 0 HA ALA B 60 -3.676 -5.653 4.033 1.00 61.05 H new ATOM 0 HB1 ALA B 60 -5.204 -5.864 2.059 1.00 64.33 H new ATOM 0 HB2 ALA B 60 -5.728 -6.912 3.399 1.00 64.33 H new ATOM 0 HB3 ALA B 60 -6.575 -5.379 3.084 1.00 64.33 H new ATOM 1498 N TYR B 61 -3.862 -3.529 2.323 1.00 71.11 N ATOM 1499 CA TYR B 61 -3.613 -2.207 1.748 1.00 41.45 C ATOM 1500 C TYR B 61 -4.190 -2.090 0.335 1.00 53.05 C ATOM 1501 O TYR B 61 -4.166 -3.058 -0.436 1.00 73.11 O ATOM 1502 CB TYR B 61 -2.107 -1.928 1.700 1.00 11.42 C ATOM 1503 CG TYR B 61 -1.404 -1.848 3.041 1.00 2.22 C ATOM 1504 CD1 TYR B 61 -1.280 -0.608 3.699 1.00 3.54 C ATOM 1505 CD2 TYR B 61 -0.811 -2.996 3.601 1.00 40.25 C ATOM 1506 CE1 TYR B 61 -0.570 -0.512 4.910 1.00 2.42 C ATOM 1507 CE2 TYR B 61 -0.093 -2.899 4.805 1.00 62.43 C ATOM 1508 CZ TYR B 61 0.020 -1.662 5.474 1.00 60.14 C ATOM 1509 OH TYR B 61 0.716 -1.594 6.641 1.00 51.44 O ATOM 0 H TYR B 61 -3.554 -4.297 1.726 1.00 71.11 H new ATOM 0 HA TYR B 61 -4.108 -1.474 2.386 1.00 41.45 H new ATOM 0 HB2 TYR B 61 -1.631 -2.710 1.108 1.00 11.42 H new ATOM 0 HB3 TYR B 61 -1.948 -0.988 1.172 1.00 11.42 H new ATOM 0 HD1 TYR B 61 -1.733 0.274 3.271 1.00 3.54 H new ATOM 0 HD2 TYR B 61 -0.908 -3.951 3.105 1.00 40.25 H new ATOM 0 HE1 TYR B 61 -0.477 0.442 5.407 1.00 2.42 H new ATOM 0 HE2 TYR B 61 0.376 -3.778 5.221 1.00 62.43 H new ATOM 0 HH TYR B 61 0.858 -2.499 6.990 1.00 51.44 H new ATOM 1518 N VAL B 62 -4.663 -0.902 -0.050 1.00 24.13 N ATOM 1519 CA VAL B 62 -5.241 -0.608 -1.366 1.00 62.54 C ATOM 1520 C VAL B 62 -4.596 0.677 -1.883 1.00 61.13 C ATOM 1521 O VAL B 62 -4.273 1.567 -1.093 1.00 22.13 O ATOM 1522 CB VAL B 62 -6.781 -0.452 -1.272 1.00 3.04 C ATOM 1523 CG1 VAL B 62 -7.439 -0.193 -2.637 1.00 15.23 C ATOM 1524 CG2 VAL B 62 -7.447 -1.696 -0.674 1.00 51.05 C ATOM 0 H VAL B 62 -4.654 -0.089 0.567 1.00 24.13 H new ATOM 0 HA VAL B 62 -5.045 -1.431 -2.053 1.00 62.54 H new ATOM 0 HB VAL B 62 -6.932 0.411 -0.624 1.00 3.04 H new ATOM 0 HG11 VAL B 62 -8.517 -0.092 -2.508 1.00 15.23 H new ATOM 0 HG12 VAL B 62 -7.038 0.725 -3.066 1.00 15.23 H new ATOM 0 HG13 VAL B 62 -7.230 -1.028 -3.306 1.00 15.23 H new ATOM 0 HG21 VAL B 62 -8.525 -1.544 -0.626 1.00 51.05 H new ATOM 0 HG22 VAL B 62 -7.230 -2.561 -1.300 1.00 51.05 H new ATOM 0 HG23 VAL B 62 -7.060 -1.869 0.330 1.00 51.05 H new ATOM 1534 N VAL B 63 -4.399 0.775 -3.198 1.00 50.20 N ATOM 1535 CA VAL B 63 -3.824 1.935 -3.857 1.00 22.15 C ATOM 1536 C VAL B 63 -4.797 2.329 -4.964 1.00 2.12 C ATOM 1537 O VAL B 63 -5.298 1.468 -5.689 1.00 2.04 O ATOM 1538 CB VAL B 63 -2.419 1.617 -4.421 1.00 73.51 C ATOM 1539 CG1 VAL B 63 -1.735 2.884 -4.958 1.00 63.15 C ATOM 1540 CG2 VAL B 63 -1.488 1.006 -3.370 1.00 13.44 C ATOM 0 H VAL B 63 -4.643 0.027 -3.846 1.00 50.20 H new ATOM 0 HA VAL B 63 -3.686 2.757 -3.155 1.00 22.15 H new ATOM 0 HB VAL B 63 -2.584 0.896 -5.222 1.00 73.51 H new ATOM 0 HG11 VAL B 63 -0.750 2.628 -5.347 1.00 63.15 H new ATOM 0 HG12 VAL B 63 -2.340 3.314 -5.756 1.00 63.15 H new ATOM 0 HG13 VAL B 63 -1.629 3.610 -4.152 1.00 63.15 H new ATOM 0 HG21 VAL B 63 -0.516 0.803 -3.819 1.00 13.44 H new ATOM 0 HG22 VAL B 63 -1.366 1.704 -2.542 1.00 13.44 H new ATOM 0 HG23 VAL B 63 -1.918 0.076 -3.000 1.00 13.44 H new ATOM 1550 N TYR B 64 -5.049 3.628 -5.095 1.00 62.52 N ATOM 1551 CA TYR B 64 -5.915 4.228 -6.101 1.00 10.44 C ATOM 1552 C TYR B 64 -5.035 5.169 -6.933 1.00 62.23 C ATOM 1553 O TYR B 64 -3.889 5.446 -6.549 1.00 71.22 O ATOM 1554 CB TYR B 64 -7.081 4.970 -5.433 1.00 45.55 C ATOM 1555 CG TYR B 64 -8.231 4.092 -4.967 1.00 60.04 C ATOM 1556 CD1 TYR B 64 -8.218 3.496 -3.692 1.00 2.33 C ATOM 1557 CD2 TYR B 64 -9.347 3.902 -5.805 1.00 10.03 C ATOM 1558 CE1 TYR B 64 -9.315 2.723 -3.265 1.00 71.14 C ATOM 1559 CE2 TYR B 64 -10.438 3.115 -5.395 1.00 61.01 C ATOM 1560 CZ TYR B 64 -10.433 2.534 -4.112 1.00 21.42 C ATOM 1561 OH TYR B 64 -11.504 1.816 -3.672 1.00 32.13 O ATOM 0 H TYR B 64 -4.635 4.322 -4.473 1.00 62.52 H new ATOM 0 HA TYR B 64 -6.366 3.472 -6.744 1.00 10.44 H new ATOM 0 HB2 TYR B 64 -6.695 5.520 -4.575 1.00 45.55 H new ATOM 0 HB3 TYR B 64 -7.470 5.707 -6.135 1.00 45.55 H new ATOM 0 HD1 TYR B 64 -7.367 3.631 -3.041 1.00 2.33 H new ATOM 0 HD2 TYR B 64 -9.365 4.369 -6.779 1.00 10.03 H new ATOM 0 HE1 TYR B 64 -9.303 2.271 -2.284 1.00 71.14 H new ATOM 0 HE2 TYR B 64 -11.274 2.957 -6.060 1.00 61.01 H new ATOM 0 HH TYR B 64 -11.993 1.454 -4.440 1.00 32.13 H new ATOM 1570 N GLU B 65 -5.519 5.627 -8.084 1.00 64.43 N ATOM 1571 CA GLU B 65 -4.789 6.531 -8.958 1.00 40.52 C ATOM 1572 C GLU B 65 -4.861 7.959 -8.414 1.00 0.21 C ATOM 1573 O GLU B 65 -3.847 8.500 -7.967 1.00 14.45 O ATOM 1574 CB GLU B 65 -5.274 6.485 -10.419 1.00 33.32 C ATOM 1575 CG GLU B 65 -5.332 5.082 -11.034 1.00 62.25 C ATOM 1576 CD GLU B 65 -5.304 5.138 -12.566 1.00 20.21 C ATOM 1577 OE1 GLU B 65 -4.299 5.634 -13.128 1.00 63.42 O ATOM 1578 OE2 GLU B 65 -6.193 4.574 -13.233 1.00 55.51 O ATOM 0 H GLU B 65 -6.442 5.375 -8.438 1.00 64.43 H new ATOM 0 HA GLU B 65 -3.753 6.193 -8.968 1.00 40.52 H new ATOM 0 HB2 GLU B 65 -6.267 6.931 -10.471 1.00 33.32 H new ATOM 0 HB3 GLU B 65 -4.614 7.105 -11.026 1.00 33.32 H new ATOM 0 HG2 GLU B 65 -4.489 4.491 -10.675 1.00 62.25 H new ATOM 0 HG3 GLU B 65 -6.239 4.576 -10.704 1.00 62.25 H new ATOM 1583 N ASP B 66 -6.046 8.576 -8.438 1.00 4.00 N ATOM 1584 CA ASP B 66 -6.250 9.946 -7.974 1.00 13.14 C ATOM 1585 C ASP B 66 -6.436 10.041 -6.466 1.00 12.33 C ATOM 1586 O ASP B 66 -7.102 9.212 -5.840 1.00 63.24 O ATOM 1587 CB ASP B 66 -7.469 10.579 -8.661 1.00 43.25 C ATOM 1588 CG ASP B 66 -7.164 11.170 -10.037 1.00 21.41 C ATOM 1589 OD1 ASP B 66 -6.036 11.650 -10.296 1.00 64.44 O ATOM 1590 OD2 ASP B 66 -8.095 11.252 -10.862 1.00 74.12 O ATOM 0 H ASP B 66 -6.897 8.132 -8.784 1.00 4.00 H new ATOM 0 HA ASP B 66 -5.342 10.488 -8.238 1.00 13.14 H new ATOM 0 HB2 ASP B 66 -8.248 9.824 -8.765 1.00 43.25 H new ATOM 0 HB3 ASP B 66 -7.869 11.364 -8.019 1.00 43.25 H new ATOM 1594 N ILE B 67 -5.907 11.123 -5.887 1.00 32.44 N ATOM 1595 CA ILE B 67 -5.991 11.405 -4.457 1.00 74.30 C ATOM 1596 C ILE B 67 -7.460 11.627 -4.051 1.00 11.34 C ATOM 1597 O ILE B 67 -7.866 11.255 -2.950 1.00 1.13 O ATOM 1598 CB ILE B 67 -5.045 12.594 -4.138 1.00 43.10 C ATOM 1599 CG1 ILE B 67 -4.733 12.700 -2.635 1.00 5.23 C ATOM 1600 CG2 ILE B 67 -5.562 13.948 -4.662 1.00 14.34 C ATOM 1601 CD1 ILE B 67 -3.643 13.719 -2.287 1.00 4.23 C ATOM 0 H ILE B 67 -5.401 11.837 -6.410 1.00 32.44 H new ATOM 0 HA ILE B 67 -5.653 10.561 -3.856 1.00 74.30 H new ATOM 0 HB ILE B 67 -4.123 12.368 -4.674 1.00 43.10 H new ATOM 0 HG12 ILE B 67 -5.647 12.968 -2.104 1.00 5.23 H new ATOM 0 HG13 ILE B 67 -4.427 11.720 -2.269 1.00 5.23 H new ATOM 0 HG21 ILE B 67 -4.852 14.733 -4.404 1.00 14.34 H new ATOM 0 HG22 ILE B 67 -5.673 13.901 -5.745 1.00 14.34 H new ATOM 0 HG23 ILE B 67 -6.528 14.169 -4.208 1.00 14.34 H new ATOM 0 HD11 ILE B 67 -3.486 13.730 -1.208 1.00 4.23 H new ATOM 0 HD12 ILE B 67 -2.714 13.443 -2.786 1.00 4.23 H new ATOM 0 HD13 ILE B 67 -3.952 14.710 -2.618 1.00 4.23 H new ATOM 1612 N PHE B 68 -8.268 12.212 -4.946 1.00 74.02 N ATOM 1613 CA PHE B 68 -9.681 12.493 -4.711 1.00 45.00 C ATOM 1614 C PHE B 68 -10.473 11.201 -4.605 1.00 10.54 C ATOM 1615 O PHE B 68 -11.281 11.068 -3.688 1.00 24.23 O ATOM 1616 CB PHE B 68 -10.266 13.342 -5.851 1.00 11.54 C ATOM 1617 CG PHE B 68 -9.786 14.774 -5.988 1.00 61.11 C ATOM 1618 CD1 PHE B 68 -8.836 15.330 -5.110 1.00 21.15 C ATOM 1619 CD2 PHE B 68 -10.313 15.567 -7.027 1.00 4.54 C ATOM 1620 CE1 PHE B 68 -8.395 16.647 -5.290 1.00 65.41 C ATOM 1621 CE2 PHE B 68 -9.894 16.898 -7.186 1.00 75.24 C ATOM 1622 CZ PHE B 68 -8.932 17.439 -6.318 1.00 45.21 C ATOM 0 H PHE B 68 -7.947 12.506 -5.868 1.00 74.02 H new ATOM 0 HA PHE B 68 -9.755 13.045 -3.774 1.00 45.00 H new ATOM 0 HB2 PHE B 68 -10.059 12.829 -6.790 1.00 11.54 H new ATOM 0 HB3 PHE B 68 -11.349 13.362 -5.731 1.00 11.54 H new ATOM 0 HD1 PHE B 68 -8.446 14.739 -4.295 1.00 21.15 H new ATOM 0 HD2 PHE B 68 -11.043 15.149 -7.704 1.00 4.54 H new ATOM 0 HE1 PHE B 68 -7.639 17.055 -4.636 1.00 65.41 H new ATOM 0 HE2 PHE B 68 -10.312 17.505 -7.976 1.00 75.24 H new ATOM 0 HZ PHE B 68 -8.606 18.461 -6.441 1.00 45.21 H new ATOM 1631 N ASP B 69 -10.238 10.264 -5.523 1.00 51.12 N ATOM 1632 CA ASP B 69 -10.927 8.978 -5.564 1.00 70.11 C ATOM 1633 C ASP B 69 -10.717 8.241 -4.249 1.00 4.32 C ATOM 1634 O ASP B 69 -11.686 7.759 -3.658 1.00 71.21 O ATOM 1635 CB ASP B 69 -10.456 8.153 -6.774 1.00 22.12 C ATOM 1636 CG ASP B 69 -11.133 8.555 -8.084 1.00 1.43 C ATOM 1637 OD1 ASP B 69 -12.023 9.433 -8.097 1.00 52.05 O ATOM 1638 OD2 ASP B 69 -10.764 8.000 -9.142 1.00 5.31 O ATOM 0 H ASP B 69 -9.553 10.380 -6.270 1.00 51.12 H new ATOM 0 HA ASP B 69 -11.998 9.141 -5.687 1.00 70.11 H new ATOM 0 HB2 ASP B 69 -9.377 8.264 -6.882 1.00 22.12 H new ATOM 0 HB3 ASP B 69 -10.650 7.098 -6.582 1.00 22.12 H new ATOM 1642 N ALA B 70 -9.470 8.198 -3.766 1.00 53.10 N ATOM 1643 CA ALA B 70 -9.144 7.540 -2.509 1.00 64.34 C ATOM 1644 C ALA B 70 -9.801 8.260 -1.323 1.00 13.24 C ATOM 1645 O ALA B 70 -10.203 7.602 -0.365 1.00 22.12 O ATOM 1646 CB ALA B 70 -7.625 7.504 -2.329 1.00 41.11 C ATOM 0 H ALA B 70 -8.668 8.617 -4.236 1.00 53.10 H new ATOM 0 HA ALA B 70 -9.531 6.521 -2.539 1.00 64.34 H new ATOM 0 HB1 ALA B 70 -7.382 7.011 -1.388 1.00 41.11 H new ATOM 0 HB2 ALA B 70 -7.174 6.953 -3.154 1.00 41.11 H new ATOM 0 HB3 ALA B 70 -7.236 8.522 -2.317 1.00 41.11 H new ATOM 1652 N LYS B 71 -9.892 9.597 -1.363 1.00 11.24 N ATOM 1653 CA LYS B 71 -10.505 10.391 -0.297 1.00 41.44 C ATOM 1654 C LYS B 71 -12.003 10.131 -0.218 1.00 11.45 C ATOM 1655 O LYS B 71 -12.504 9.805 0.857 1.00 14.24 O ATOM 1656 CB LYS B 71 -10.257 11.899 -0.496 1.00 35.52 C ATOM 1657 CG LYS B 71 -9.015 12.381 0.255 1.00 14.24 C ATOM 1658 CD LYS B 71 -8.915 13.907 0.415 1.00 32.14 C ATOM 1659 CE LYS B 71 -10.064 14.464 1.273 1.00 20.22 C ATOM 1660 NZ LYS B 71 -10.175 15.933 1.202 1.00 62.14 N ATOM 0 H LYS B 71 -9.540 10.157 -2.140 1.00 11.24 H new ATOM 0 HA LYS B 71 -10.036 10.083 0.638 1.00 41.44 H new ATOM 0 HB2 LYS B 71 -10.142 12.110 -1.559 1.00 35.52 H new ATOM 0 HB3 LYS B 71 -11.128 12.458 -0.152 1.00 35.52 H new ATOM 0 HG2 LYS B 71 -9.005 11.924 1.244 1.00 14.24 H new ATOM 0 HG3 LYS B 71 -8.128 12.025 -0.270 1.00 14.24 H new ATOM 0 HD2 LYS B 71 -7.960 14.163 0.874 1.00 32.14 H new ATOM 0 HD3 LYS B 71 -8.933 14.378 -0.568 1.00 32.14 H new ATOM 0 HE2 LYS B 71 -11.003 14.018 0.947 1.00 20.22 H new ATOM 0 HE3 LYS B 71 -9.913 14.166 2.311 1.00 20.22 H new ATOM 0 HZ1 LYS B 71 -10.965 16.251 1.799 1.00 62.14 H new ATOM 0 HZ2 LYS B 71 -9.291 16.365 1.539 1.00 62.14 H new ATOM 0 HZ3 LYS B 71 -10.347 16.221 0.218 1.00 62.14 H new ATOM 1670 N ASN B 72 -12.721 10.280 -1.336 1.00 53.32 N ATOM 1671 CA ASN B 72 -14.161 10.063 -1.338 1.00 12.04 C ATOM 1672 C ASN B 72 -14.467 8.637 -0.911 1.00 41.10 C ATOM 1673 O ASN B 72 -15.365 8.441 -0.097 1.00 13.14 O ATOM 1674 CB ASN B 72 -14.816 10.406 -2.680 1.00 52.05 C ATOM 1675 CG ASN B 72 -16.331 10.256 -2.598 1.00 51.43 C ATOM 1676 OD1 ASN B 72 -16.943 9.484 -3.332 1.00 60.52 O ATOM 1677 ND2 ASN B 72 -16.982 10.998 -1.716 1.00 52.04 N ATOM 0 H ASN B 72 -12.329 10.547 -2.239 1.00 53.32 H new ATOM 0 HA ASN B 72 -14.599 10.751 -0.615 1.00 12.04 H new ATOM 0 HB2 ASN B 72 -14.562 11.428 -2.963 1.00 52.05 H new ATOM 0 HB3 ASN B 72 -14.423 9.753 -3.459 1.00 52.05 H new ATOM 0 HD21 ASN B 72 -17.997 10.931 -1.643 1.00 52.04 H new ATOM 0 HD22 ASN B 72 -16.468 11.637 -1.109 1.00 52.04 H new ATOM 1683 N ALA B 73 -13.702 7.658 -1.413 1.00 4.32 N ATOM 1684 CA ALA B 73 -13.911 6.274 -1.031 1.00 71.23 C ATOM 1685 C ALA B 73 -13.686 6.124 0.469 1.00 11.11 C ATOM 1686 O ALA B 73 -14.502 5.500 1.130 1.00 4.03 O ATOM 1687 CB ALA B 73 -12.965 5.336 -1.773 1.00 12.51 C ATOM 0 H ALA B 73 -12.943 7.806 -2.077 1.00 4.32 H new ATOM 0 HA ALA B 73 -14.934 6.004 -1.294 1.00 71.23 H new ATOM 0 HB1 ALA B 73 -13.152 4.309 -1.460 1.00 12.51 H new ATOM 0 HB2 ALA B 73 -13.132 5.425 -2.846 1.00 12.51 H new ATOM 0 HB3 ALA B 73 -11.933 5.603 -1.543 1.00 12.51 H new ATOM 1693 N CYS B 74 -12.607 6.700 1.012 1.00 63.23 N ATOM 1694 CA CYS B 74 -12.281 6.633 2.428 1.00 20.12 C ATOM 1695 C CYS B 74 -13.474 7.065 3.277 1.00 74.15 C ATOM 1696 O CYS B 74 -13.889 6.321 4.166 1.00 44.32 O ATOM 1697 CB CYS B 74 -11.040 7.498 2.727 1.00 35.43 C ATOM 1698 SG CYS B 74 -10.708 7.627 4.510 1.00 3.13 S ATOM 0 H CYS B 74 -11.930 7.232 0.465 1.00 63.23 H new ATOM 0 HA CYS B 74 -12.048 5.600 2.687 1.00 20.12 H new ATOM 0 HB2 CYS B 74 -10.171 7.069 2.227 1.00 35.43 H new ATOM 0 HB3 CYS B 74 -11.186 8.496 2.313 1.00 35.43 H new ATOM 0 HG CYS B 74 -9.865 8.593 4.726 1.00 3.13 H new ATOM 1703 N ASP B 75 -14.029 8.247 3.007 1.00 42.11 N ATOM 1704 CA ASP B 75 -15.159 8.760 3.777 1.00 33.53 C ATOM 1705 C ASP B 75 -16.485 8.060 3.471 1.00 64.14 C ATOM 1706 O ASP B 75 -17.446 8.235 4.218 1.00 32.32 O ATOM 1707 CB ASP B 75 -15.288 10.279 3.625 1.00 0.41 C ATOM 1708 CG ASP B 75 -14.183 11.043 4.356 1.00 52.30 C ATOM 1709 OD1 ASP B 75 -14.097 10.954 5.607 1.00 64.23 O ATOM 1710 OD2 ASP B 75 -13.399 11.740 3.670 1.00 63.44 O ATOM 0 H ASP B 75 -13.713 8.866 2.260 1.00 42.11 H new ATOM 0 HA ASP B 75 -14.936 8.530 4.819 1.00 33.53 H new ATOM 0 HB2 ASP B 75 -15.263 10.537 2.566 1.00 0.41 H new ATOM 0 HB3 ASP B 75 -16.258 10.597 4.008 1.00 0.41 H new ATOM 1714 N HIS B 76 -16.591 7.296 2.385 1.00 13.22 N ATOM 1715 CA HIS B 76 -17.815 6.569 2.039 1.00 2.21 C ATOM 1716 C HIS B 76 -17.735 5.130 2.560 1.00 33.13 C ATOM 1717 O HIS B 76 -18.766 4.493 2.778 1.00 62.24 O ATOM 1718 CB HIS B 76 -18.054 6.607 0.523 1.00 4.22 C ATOM 1719 CG HIS B 76 -18.662 7.905 0.037 1.00 21.33 C ATOM 1720 ND1 HIS B 76 -19.564 8.020 -0.993 1.00 34.24 N ATOM 1721 CD2 HIS B 76 -18.480 9.159 0.559 1.00 32.41 C ATOM 1722 CE1 HIS B 76 -19.933 9.306 -1.078 1.00 60.10 C ATOM 1723 NE2 HIS B 76 -19.300 10.044 -0.152 1.00 74.35 N ATOM 0 H HIS B 76 -15.831 7.162 1.718 1.00 13.22 H new ATOM 0 HA HIS B 76 -18.666 7.055 2.517 1.00 2.21 H new ATOM 0 HB2 HIS B 76 -17.106 6.445 0.010 1.00 4.22 H new ATOM 0 HB3 HIS B 76 -18.711 5.782 0.246 1.00 4.22 H new ATOM 0 HD2 HIS B 76 -17.821 9.419 1.374 1.00 32.41 H new ATOM 0 HE1 HIS B 76 -20.642 9.695 -1.793 1.00 60.10 H new ATOM 0 HE2 HIS B 76 -19.397 11.048 0.003 1.00 74.35 H new ATOM 1730 N LEU B 77 -16.525 4.632 2.811 1.00 65.05 N ATOM 1731 CA LEU B 77 -16.228 3.292 3.298 1.00 0.23 C ATOM 1732 C LEU B 77 -15.961 3.290 4.809 1.00 53.31 C ATOM 1733 O LEU B 77 -15.836 2.222 5.408 1.00 63.43 O ATOM 1734 CB LEU B 77 -15.018 2.796 2.481 1.00 13.24 C ATOM 1735 CG LEU B 77 -14.544 1.343 2.657 1.00 50.03 C ATOM 1736 CD1 LEU B 77 -15.612 0.286 2.376 1.00 2.20 C ATOM 1737 CD2 LEU B 77 -13.376 1.118 1.687 1.00 43.25 C ATOM 0 H LEU B 77 -15.680 5.187 2.671 1.00 65.05 H new ATOM 0 HA LEU B 77 -17.076 2.621 3.163 1.00 0.23 H new ATOM 0 HB2 LEU B 77 -15.252 2.940 1.426 1.00 13.24 H new ATOM 0 HB3 LEU B 77 -14.175 3.447 2.713 1.00 13.24 H new ATOM 0 HG LEU B 77 -14.267 1.223 3.704 1.00 50.03 H new ATOM 0 HD11 LEU B 77 -15.189 -0.707 2.525 1.00 2.20 H new ATOM 0 HD12 LEU B 77 -16.452 0.428 3.056 1.00 2.20 H new ATOM 0 HD13 LEU B 77 -15.957 0.383 1.347 1.00 2.20 H new ATOM 0 HD21 LEU B 77 -13.014 0.095 1.785 1.00 43.25 H new ATOM 0 HD22 LEU B 77 -13.714 1.287 0.665 1.00 43.25 H new ATOM 0 HD23 LEU B 77 -12.569 1.813 1.922 1.00 43.25 H new ATOM 1748 N SER B 78 -15.874 4.453 5.460 1.00 60.52 N ATOM 1749 CA SER B 78 -15.615 4.594 6.885 1.00 44.52 C ATOM 1750 C SER B 78 -16.672 3.860 7.723 1.00 62.20 C ATOM 1751 O SER B 78 -17.857 4.189 7.696 1.00 42.34 O ATOM 1752 CB SER B 78 -15.479 6.090 7.222 1.00 50.31 C ATOM 1753 OG SER B 78 -16.576 6.852 6.757 1.00 45.24 O ATOM 0 H SER B 78 -15.987 5.350 4.988 1.00 60.52 H new ATOM 0 HA SER B 78 -14.672 4.113 7.145 1.00 44.52 H new ATOM 0 HB2 SER B 78 -15.390 6.209 8.302 1.00 50.31 H new ATOM 0 HB3 SER B 78 -14.560 6.476 6.782 1.00 50.31 H new ATOM 0 HG SER B 78 -17.405 6.347 6.890 1.00 45.24 H new ATOM 1758 N GLY B 79 -16.264 2.845 8.493 1.00 43.52 N ATOM 1759 CA GLY B 79 -17.168 2.074 9.348 1.00 73.45 C ATOM 1760 C GLY B 79 -18.119 1.143 8.595 1.00 1.24 C ATOM 1761 O GLY B 79 -18.981 0.547 9.239 1.00 34.21 O ATOM 0 H GLY B 79 -15.293 2.536 8.539 1.00 43.52 H new ATOM 0 HA2 GLY B 79 -16.572 1.480 10.041 1.00 73.45 H new ATOM 0 HA3 GLY B 79 -17.758 2.767 9.948 1.00 73.45 H new ATOM 1765 N PHE B 80 -17.916 0.941 7.288 1.00 63.11 N ATOM 1766 CA PHE B 80 -18.754 0.105 6.437 1.00 23.52 C ATOM 1767 C PHE B 80 -18.973 -1.298 7.011 1.00 11.50 C ATOM 1768 O PHE B 80 -18.016 -2.034 7.288 1.00 31.03 O ATOM 1769 CB PHE B 80 -18.147 0.055 5.033 1.00 22.42 C ATOM 1770 CG PHE B 80 -18.982 -0.634 3.973 1.00 75.43 C ATOM 1771 CD1 PHE B 80 -20.303 -0.210 3.723 1.00 23.15 C ATOM 1772 CD2 PHE B 80 -18.415 -1.648 3.176 1.00 31.32 C ATOM 1773 CE1 PHE B 80 -21.060 -0.825 2.713 1.00 34.41 C ATOM 1774 CE2 PHE B 80 -19.164 -2.236 2.142 1.00 24.33 C ATOM 1775 CZ PHE B 80 -20.494 -1.843 1.930 1.00 34.42 C ATOM 0 H PHE B 80 -17.140 1.370 6.784 1.00 63.11 H new ATOM 0 HA PHE B 80 -19.746 0.554 6.388 1.00 23.52 H new ATOM 0 HB2 PHE B 80 -17.952 1.076 4.706 1.00 22.42 H new ATOM 0 HB3 PHE B 80 -17.183 -0.450 5.093 1.00 22.42 H new ATOM 0 HD1 PHE B 80 -20.733 0.589 4.309 1.00 23.15 H new ATOM 0 HD2 PHE B 80 -17.402 -1.974 3.360 1.00 31.32 H new ATOM 0 HE1 PHE B 80 -22.079 -0.514 2.538 1.00 34.41 H new ATOM 0 HE2 PHE B 80 -18.716 -2.990 1.511 1.00 24.33 H new ATOM 0 HZ PHE B 80 -21.083 -2.324 1.163 1.00 34.42 H new ATOM 1784 N ASN B 81 -20.248 -1.635 7.212 1.00 41.14 N ATOM 1785 CA ASN B 81 -20.743 -2.897 7.740 1.00 44.21 C ATOM 1786 C ASN B 81 -20.845 -3.941 6.632 1.00 42.33 C ATOM 1787 O ASN B 81 -21.576 -3.745 5.664 1.00 13.33 O ATOM 1788 CB ASN B 81 -22.133 -2.686 8.358 1.00 72.12 C ATOM 1789 CG ASN B 81 -22.821 -4.009 8.685 1.00 42.40 C ATOM 1790 OD1 ASN B 81 -23.689 -4.471 7.951 1.00 45.34 O ATOM 1791 ND2 ASN B 81 -22.444 -4.664 9.768 1.00 13.20 N ATOM 0 H ASN B 81 -21.007 -0.989 6.995 1.00 41.14 H new ATOM 0 HA ASN B 81 -20.045 -3.251 8.499 1.00 44.21 H new ATOM 0 HB2 ASN B 81 -22.039 -2.092 9.267 1.00 72.12 H new ATOM 0 HB3 ASN B 81 -22.754 -2.116 7.667 1.00 72.12 H new ATOM 0 HD21 ASN B 81 -22.875 -5.559 9.998 1.00 13.20 H new ATOM 0 HD22 ASN B 81 -21.722 -4.275 10.374 1.00 13.20 H new ATOM 1797 N VAL B 82 -20.096 -5.025 6.759 1.00 63.42 N ATOM 1798 CA VAL B 82 -20.024 -6.183 5.871 1.00 64.02 C ATOM 1799 C VAL B 82 -19.675 -7.370 6.769 1.00 31.13 C ATOM 1800 O VAL B 82 -19.109 -7.159 7.845 1.00 23.12 O ATOM 1801 CB VAL B 82 -19.028 -6.001 4.701 1.00 33.12 C ATOM 1802 CG1 VAL B 82 -19.643 -5.178 3.564 1.00 61.44 C ATOM 1803 CG2 VAL B 82 -17.708 -5.326 5.102 1.00 72.42 C ATOM 0 H VAL B 82 -19.466 -5.130 7.555 1.00 63.42 H new ATOM 0 HA VAL B 82 -20.976 -6.338 5.363 1.00 64.02 H new ATOM 0 HB VAL B 82 -18.808 -7.018 4.375 1.00 33.12 H new ATOM 0 HG11 VAL B 82 -18.916 -5.070 2.759 1.00 61.44 H new ATOM 0 HG12 VAL B 82 -20.530 -5.686 3.186 1.00 61.44 H new ATOM 0 HG13 VAL B 82 -19.921 -4.192 3.937 1.00 61.44 H new ATOM 0 HG21 VAL B 82 -17.065 -5.235 4.226 1.00 72.42 H new ATOM 0 HG22 VAL B 82 -17.914 -4.334 5.505 1.00 72.42 H new ATOM 0 HG23 VAL B 82 -17.207 -5.929 5.859 1.00 72.42 H new ATOM 1813 N CYS B 83 -20.021 -8.599 6.375 1.00 55.23 N ATOM 1814 CA CYS B 83 -19.779 -9.835 7.132 1.00 34.25 C ATOM 1815 C CYS B 83 -20.241 -9.741 8.608 1.00 40.42 C ATOM 1816 O CYS B 83 -19.781 -10.530 9.435 1.00 62.12 O ATOM 1817 CB CYS B 83 -18.295 -10.234 7.043 1.00 13.14 C ATOM 1818 SG CYS B 83 -17.669 -10.243 5.336 1.00 52.03 S ATOM 0 H CYS B 83 -20.495 -8.769 5.488 1.00 55.23 H new ATOM 0 HA CYS B 83 -20.387 -10.614 6.672 1.00 34.25 H new ATOM 0 HB2 CYS B 83 -17.701 -9.542 7.639 1.00 13.14 H new ATOM 0 HB3 CYS B 83 -18.163 -11.224 7.479 1.00 13.14 H new ATOM 0 HG CYS B 83 -16.723 -11.128 5.225 1.00 52.03 H new ATOM 1823 N ASN B 84 -21.163 -8.819 8.934 1.00 51.44 N ATOM 1824 CA ASN B 84 -21.686 -8.524 10.271 1.00 22.14 C ATOM 1825 C ASN B 84 -20.514 -8.106 11.174 1.00 20.33 C ATOM 1826 O ASN B 84 -20.230 -8.689 12.227 1.00 23.32 O ATOM 1827 CB ASN B 84 -22.582 -9.635 10.833 1.00 34.10 C ATOM 1828 CG ASN B 84 -23.090 -9.303 12.234 1.00 43.43 C ATOM 1829 OD1 ASN B 84 -23.429 -8.157 12.535 1.00 74.13 O ATOM 1830 ND2 ASN B 84 -23.202 -10.288 13.105 1.00 10.32 N ATOM 0 H ASN B 84 -21.587 -8.224 8.222 1.00 51.44 H new ATOM 0 HA ASN B 84 -22.376 -7.682 10.218 1.00 22.14 H new ATOM 0 HB2 ASN B 84 -23.430 -9.789 10.166 1.00 34.10 H new ATOM 0 HB3 ASN B 84 -22.025 -10.571 10.861 1.00 34.10 H new ATOM 0 HD21 ASN B 84 -23.572 -10.104 14.038 1.00 10.32 H new ATOM 0 HD22 ASN B 84 -22.919 -11.233 12.846 1.00 10.32 H new ATOM 1836 N ARG B 85 -19.795 -7.083 10.709 1.00 31.13 N ATOM 1837 CA ARG B 85 -18.628 -6.452 11.316 1.00 70.12 C ATOM 1838 C ARG B 85 -18.719 -4.951 11.040 1.00 72.14 C ATOM 1839 O ARG B 85 -19.780 -4.448 10.668 1.00 60.23 O ATOM 1840 CB ARG B 85 -17.336 -7.039 10.707 1.00 21.43 C ATOM 1841 CG ARG B 85 -17.216 -8.555 10.854 1.00 50.50 C ATOM 1842 CD ARG B 85 -15.852 -9.029 10.354 1.00 23.45 C ATOM 1843 NE ARG B 85 -15.662 -10.455 10.637 1.00 54.25 N ATOM 1844 CZ ARG B 85 -15.358 -10.977 11.827 1.00 14.33 C ATOM 1845 NH1 ARG B 85 -15.229 -10.224 12.916 1.00 50.50 N ATOM 1846 NH2 ARG B 85 -15.205 -12.287 11.908 1.00 44.32 N ATOM 0 H ARG B 85 -20.037 -6.639 9.823 1.00 31.13 H new ATOM 0 HA ARG B 85 -18.603 -6.635 12.390 1.00 70.12 H new ATOM 0 HB2 ARG B 85 -17.296 -6.782 9.648 1.00 21.43 H new ATOM 0 HB3 ARG B 85 -16.475 -6.568 11.182 1.00 21.43 H new ATOM 0 HG2 ARG B 85 -17.346 -8.838 11.899 1.00 50.50 H new ATOM 0 HG3 ARG B 85 -18.009 -9.046 10.290 1.00 50.50 H new ATOM 0 HD2 ARG B 85 -15.771 -8.852 9.281 1.00 23.45 H new ATOM 0 HD3 ARG B 85 -15.062 -8.450 10.833 1.00 23.45 H new ATOM 0 HE ARG B 85 -15.772 -11.104 9.858 1.00 54.25 H new ATOM 0 HH11 ARG B 85 -15.363 -9.215 12.857 1.00 50.50 H new ATOM 0 HH12 ARG B 85 -14.996 -10.656 13.810 1.00 50.50 H new ATOM 0 HH21 ARG B 85 -15.319 -12.866 11.076 1.00 44.32 H new ATOM 0 HH22 ARG B 85 -14.972 -12.719 12.802 1.00 44.32 H new ATOM 1857 N TYR B 86 -17.628 -4.234 11.292 1.00 73.32 N ATOM 1858 CA TYR B 86 -17.479 -2.810 11.071 1.00 71.14 C ATOM 1859 C TYR B 86 -16.018 -2.639 10.645 1.00 62.10 C ATOM 1860 O TYR B 86 -15.111 -2.947 11.426 1.00 52.33 O ATOM 1861 CB TYR B 86 -17.859 -2.015 12.334 1.00 4.22 C ATOM 1862 CG TYR B 86 -16.912 -2.178 13.514 1.00 73.52 C ATOM 1863 CD1 TYR B 86 -16.885 -3.378 14.256 1.00 42.43 C ATOM 1864 CD2 TYR B 86 -16.001 -1.149 13.818 1.00 40.12 C ATOM 1865 CE1 TYR B 86 -15.944 -3.554 15.286 1.00 41.42 C ATOM 1866 CE2 TYR B 86 -15.062 -1.314 14.849 1.00 72.14 C ATOM 1867 CZ TYR B 86 -15.029 -2.518 15.584 1.00 23.12 C ATOM 1868 OH TYR B 86 -14.184 -2.613 16.644 1.00 1.20 O ATOM 0 H TYR B 86 -16.783 -4.658 11.676 1.00 73.32 H new ATOM 0 HA TYR B 86 -18.147 -2.418 10.304 1.00 71.14 H new ATOM 0 HB2 TYR B 86 -17.912 -0.957 12.075 1.00 4.22 H new ATOM 0 HB3 TYR B 86 -18.858 -2.317 12.647 1.00 4.22 H new ATOM 0 HD1 TYR B 86 -17.590 -4.165 14.032 1.00 42.43 H new ATOM 0 HD2 TYR B 86 -16.024 -0.228 13.255 1.00 40.12 H new ATOM 0 HE1 TYR B 86 -15.920 -4.477 15.847 1.00 41.42 H new ATOM 0 HE2 TYR B 86 -14.366 -0.521 15.079 1.00 72.14 H new ATOM 0 HH TYR B 86 -13.628 -1.808 16.692 1.00 1.20 H new ATOM 1877 N LEU B 87 -15.747 -2.266 9.391 1.00 31.03 N ATOM 1878 CA LEU B 87 -14.358 -2.083 8.956 1.00 32.21 C ATOM 1879 C LEU B 87 -13.840 -0.740 9.492 1.00 42.21 C ATOM 1880 O LEU B 87 -14.608 0.053 10.048 1.00 42.21 O ATOM 1881 CB LEU B 87 -14.196 -2.217 7.429 1.00 13.30 C ATOM 1882 CG LEU B 87 -14.769 -3.488 6.786 1.00 54.42 C ATOM 1883 CD1 LEU B 87 -14.511 -3.464 5.282 1.00 3.45 C ATOM 1884 CD2 LEU B 87 -14.187 -4.776 7.363 1.00 21.23 C ATOM 0 H LEU B 87 -16.451 -2.088 8.674 1.00 31.03 H new ATOM 0 HA LEU B 87 -13.748 -2.884 9.373 1.00 32.21 H new ATOM 0 HB2 LEU B 87 -14.669 -1.355 6.959 1.00 13.30 H new ATOM 0 HB3 LEU B 87 -13.133 -2.165 7.193 1.00 13.30 H new ATOM 0 HG LEU B 87 -15.837 -3.488 7.004 1.00 54.42 H new ATOM 0 HD11 LEU B 87 -14.919 -4.367 4.828 1.00 3.45 H new ATOM 0 HD12 LEU B 87 -14.992 -2.589 4.844 1.00 3.45 H new ATOM 0 HD13 LEU B 87 -13.438 -3.418 5.098 1.00 3.45 H new ATOM 0 HD21 LEU B 87 -14.636 -5.634 6.863 1.00 21.23 H new ATOM 0 HD22 LEU B 87 -13.108 -4.789 7.208 1.00 21.23 H new ATOM 0 HD23 LEU B 87 -14.401 -4.825 8.431 1.00 21.23 H new ATOM 1895 N VAL B 88 -12.546 -0.455 9.328 1.00 23.03 N ATOM 1896 CA VAL B 88 -11.919 0.794 9.771 1.00 24.10 C ATOM 1897 C VAL B 88 -11.066 1.317 8.609 1.00 53.32 C ATOM 1898 O VAL B 88 -10.501 0.516 7.855 1.00 63.52 O ATOM 1899 CB VAL B 88 -11.110 0.563 11.074 1.00 73.41 C ATOM 1900 CG1 VAL B 88 -10.598 1.879 11.679 1.00 0.04 C ATOM 1901 CG2 VAL B 88 -11.914 -0.172 12.165 1.00 74.22 C ATOM 0 H VAL B 88 -11.893 -1.096 8.876 1.00 23.03 H new ATOM 0 HA VAL B 88 -12.663 1.549 10.023 1.00 24.10 H new ATOM 0 HB VAL B 88 -10.272 -0.062 10.765 1.00 73.41 H new ATOM 0 HG11 VAL B 88 -10.038 1.667 12.590 1.00 0.04 H new ATOM 0 HG12 VAL B 88 -9.949 2.381 10.962 1.00 0.04 H new ATOM 0 HG13 VAL B 88 -11.444 2.524 11.916 1.00 0.04 H new ATOM 0 HG21 VAL B 88 -11.291 -0.302 13.050 1.00 74.22 H new ATOM 0 HG22 VAL B 88 -12.796 0.414 12.424 1.00 74.22 H new ATOM 0 HG23 VAL B 88 -12.224 -1.148 11.793 1.00 74.22 H new ATOM 1911 N VAL B 89 -10.956 2.643 8.467 1.00 31.31 N ATOM 1912 CA VAL B 89 -10.193 3.318 7.419 1.00 12.01 C ATOM 1913 C VAL B 89 -9.297 4.357 8.102 1.00 31.12 C ATOM 1914 O VAL B 89 -9.808 5.285 8.734 1.00 5.54 O ATOM 1915 CB VAL B 89 -11.134 3.957 6.361 1.00 62.23 C ATOM 1916 CG1 VAL B 89 -10.395 4.353 5.079 1.00 74.24 C ATOM 1917 CG2 VAL B 89 -12.278 3.045 5.907 1.00 65.25 C ATOM 0 H VAL B 89 -11.414 3.296 9.103 1.00 31.31 H new ATOM 0 HA VAL B 89 -9.576 2.605 6.872 1.00 12.01 H new ATOM 0 HB VAL B 89 -11.530 4.826 6.886 1.00 62.23 H new ATOM 0 HG11 VAL B 89 -11.100 4.794 4.374 1.00 74.24 H new ATOM 0 HG12 VAL B 89 -9.617 5.079 5.317 1.00 74.24 H new ATOM 0 HG13 VAL B 89 -9.941 3.468 4.632 1.00 74.24 H new ATOM 0 HG21 VAL B 89 -12.888 3.566 5.169 1.00 65.25 H new ATOM 0 HG22 VAL B 89 -11.866 2.139 5.463 1.00 65.25 H new ATOM 0 HG23 VAL B 89 -12.895 2.781 6.766 1.00 65.25 H new ATOM 1927 N LEU B 90 -7.971 4.199 8.024 1.00 51.21 N ATOM 1928 CA LEU B 90 -6.977 5.103 8.618 1.00 74.21 C ATOM 1929 C LEU B 90 -5.970 5.463 7.532 1.00 3.21 C ATOM 1930 O LEU B 90 -5.352 4.556 6.966 1.00 10.21 O ATOM 1931 CB LEU B 90 -6.291 4.401 9.803 1.00 64.33 C ATOM 1932 CG LEU B 90 -5.137 5.208 10.439 1.00 73.03 C ATOM 1933 CD1 LEU B 90 -5.625 6.516 11.075 1.00 51.12 C ATOM 1934 CD2 LEU B 90 -4.440 4.349 11.498 1.00 0.33 C ATOM 0 H LEU B 90 -7.546 3.414 7.530 1.00 51.21 H new ATOM 0 HA LEU B 90 -7.445 6.012 8.995 1.00 74.21 H new ATOM 0 HB2 LEU B 90 -7.038 4.193 10.569 1.00 64.33 H new ATOM 0 HB3 LEU B 90 -5.904 3.440 9.466 1.00 64.33 H new ATOM 0 HG LEU B 90 -4.439 5.472 9.644 1.00 73.03 H new ATOM 0 HD11 LEU B 90 -4.778 7.048 11.509 1.00 51.12 H new ATOM 0 HD12 LEU B 90 -6.093 7.139 10.313 1.00 51.12 H new ATOM 0 HD13 LEU B 90 -6.351 6.292 11.856 1.00 51.12 H new ATOM 0 HD21 LEU B 90 -3.625 4.916 11.948 1.00 0.33 H new ATOM 0 HD22 LEU B 90 -5.157 4.070 12.270 1.00 0.33 H new ATOM 0 HD23 LEU B 90 -4.040 3.449 11.031 1.00 0.33 H new ATOM 1945 N TYR B 91 -5.815 6.746 7.204 1.00 24.01 N ATOM 1946 CA TYR B 91 -4.886 7.196 6.169 1.00 73.23 C ATOM 1947 C TYR B 91 -3.465 6.712 6.447 1.00 40.10 C ATOM 1948 O TYR B 91 -3.062 6.571 7.607 1.00 72.23 O ATOM 1949 CB TYR B 91 -4.884 8.726 6.069 1.00 64.12 C ATOM 1950 CG TYR B 91 -6.255 9.344 5.902 1.00 1.54 C ATOM 1951 CD1 TYR B 91 -6.957 9.209 4.689 1.00 41.15 C ATOM 1952 CD2 TYR B 91 -6.833 10.052 6.972 1.00 72.31 C ATOM 1953 CE1 TYR B 91 -8.223 9.802 4.535 1.00 0.43 C ATOM 1954 CE2 TYR B 91 -8.105 10.628 6.830 1.00 74.14 C ATOM 1955 CZ TYR B 91 -8.804 10.513 5.611 1.00 63.12 C ATOM 1956 OH TYR B 91 -10.029 11.091 5.485 1.00 34.31 O ATOM 0 H TYR B 91 -6.332 7.504 7.650 1.00 24.01 H new ATOM 0 HA TYR B 91 -5.225 6.769 5.225 1.00 73.23 H new ATOM 0 HB2 TYR B 91 -4.421 9.136 6.967 1.00 64.12 H new ATOM 0 HB3 TYR B 91 -4.260 9.022 5.225 1.00 64.12 H new ATOM 0 HD1 TYR B 91 -6.522 8.649 3.875 1.00 41.15 H new ATOM 0 HD2 TYR B 91 -6.297 10.152 7.904 1.00 72.31 H new ATOM 0 HE1 TYR B 91 -8.751 9.715 3.597 1.00 0.43 H new ATOM 0 HE2 TYR B 91 -8.550 11.161 7.657 1.00 74.14 H new ATOM 0 HH TYR B 91 -10.269 11.535 6.325 1.00 34.31 H new ATOM 1965 N TYR B 92 -2.723 6.404 5.384 1.00 2.13 N ATOM 1966 CA TYR B 92 -1.346 5.961 5.533 1.00 24.41 C ATOM 1967 C TYR B 92 -0.440 7.181 5.780 1.00 30.24 C ATOM 1968 O TYR B 92 -0.929 8.313 5.810 1.00 61.34 O ATOM 1969 CB TYR B 92 -0.921 5.129 4.315 1.00 72.44 C ATOM 1970 CG TYR B 92 0.384 4.409 4.568 1.00 64.42 C ATOM 1971 CD1 TYR B 92 0.455 3.472 5.616 1.00 51.02 C ATOM 1972 CD2 TYR B 92 1.549 4.754 3.854 1.00 24.14 C ATOM 1973 CE1 TYR B 92 1.685 2.895 5.964 1.00 53.14 C ATOM 1974 CE2 TYR B 92 2.784 4.178 4.201 1.00 35.43 C ATOM 1975 CZ TYR B 92 2.858 3.245 5.258 1.00 72.41 C ATOM 1976 OH TYR B 92 4.041 2.659 5.572 1.00 62.33 O ATOM 0 H TYR B 92 -3.053 6.454 4.420 1.00 2.13 H new ATOM 0 HA TYR B 92 -1.250 5.307 6.400 1.00 24.41 H new ATOM 0 HB2 TYR B 92 -1.699 4.403 4.079 1.00 72.44 H new ATOM 0 HB3 TYR B 92 -0.817 5.779 3.446 1.00 72.44 H new ATOM 0 HD1 TYR B 92 -0.440 3.197 6.154 1.00 51.02 H new ATOM 0 HD2 TYR B 92 1.493 5.461 3.040 1.00 24.14 H new ATOM 0 HE1 TYR B 92 1.736 2.182 6.773 1.00 53.14 H new ATOM 0 HE2 TYR B 92 3.677 4.450 3.658 1.00 35.43 H new ATOM 0 HH TYR B 92 4.746 3.012 4.990 1.00 62.33 H new ATOM 1985 N ASN B 93 0.847 6.938 6.030 1.00 51.11 N ATOM 1986 CA ASN B 93 1.871 7.946 6.262 1.00 43.13 C ATOM 1987 C ASN B 93 2.167 8.597 4.923 1.00 30.31 C ATOM 1988 O ASN B 93 3.020 8.105 4.161 1.00 41.22 O ATOM 1989 CB ASN B 93 3.129 7.271 6.837 1.00 14.40 C ATOM 1990 CG ASN B 93 4.340 8.190 6.804 1.00 33.20 C ATOM 1991 OD1 ASN B 93 5.423 7.804 6.376 1.00 42.14 O ATOM 1992 ND2 ASN B 93 4.219 9.417 7.270 1.00 52.14 N ATOM 0 H ASN B 93 1.216 5.988 6.078 1.00 51.11 H new ATOM 0 HA ASN B 93 1.540 8.699 6.978 1.00 43.13 H new ATOM 0 HB2 ASN B 93 2.937 6.963 7.865 1.00 14.40 H new ATOM 0 HB3 ASN B 93 3.346 6.366 6.269 1.00 14.40 H new ATOM 0 HD21 ASN B 93 5.025 10.043 7.274 1.00 52.14 H new ATOM 0 HD22 ASN B 93 3.320 9.741 7.626 1.00 52.14 H new