USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 589 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 Single : A 27 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 151:sc= -5.03! (180deg=-7.13!) USER MOD Single : A 36 THR OG1 : rot 41:sc= 0 USER MOD Single : A 38 SER OG : rot -6:sc= 0.369! USER MOD Single : A 39 ASN : amide:sc= -2.93 K(o=-2.9,f=-4.6!) USER MOD Single : A 41 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-4.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc=-0.00522 X(o=-0.0052,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -140:sc= -0.384 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.281 X(o=-0.28,f=0.0026) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00353 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -13.586 5.097 -17.867 1.00 13.23 N ATOM 360 CA PHE A 22 -14.060 5.573 -19.161 1.00 63.04 C ATOM 361 C PHE A 22 -12.956 5.482 -20.211 1.00 60.31 C ATOM 362 O PHE A 22 -13.184 5.021 -21.330 1.00 54.14 O ATOM 363 CB PHE A 22 -14.553 7.017 -19.048 1.00 75.25 C ATOM 364 CG PHE A 22 -14.885 7.642 -20.373 1.00 50.32 C ATOM 365 CD1 PHE A 22 -15.809 7.052 -21.221 1.00 0.52 C ATOM 366 CD2 PHE A 22 -14.273 8.820 -20.771 1.00 12.13 C ATOM 367 CE1 PHE A 22 -16.115 7.626 -22.441 1.00 32.44 C ATOM 368 CE2 PHE A 22 -14.576 9.398 -21.989 1.00 43.13 C ATOM 369 CZ PHE A 22 -15.499 8.800 -22.825 1.00 2.42 C ATOM 0 HA PHE A 22 -14.888 4.937 -19.473 1.00 63.04 H new ATOM 0 HB2 PHE A 22 -15.438 7.042 -18.412 1.00 75.25 H new ATOM 0 HB3 PHE A 22 -13.788 7.616 -18.554 1.00 75.25 H new ATOM 0 HD1 PHE A 22 -16.295 6.134 -20.926 1.00 0.52 H new ATOM 0 HD2 PHE A 22 -13.551 9.292 -20.121 1.00 12.13 H new ATOM 0 HE1 PHE A 22 -16.836 7.156 -23.093 1.00 32.44 H new ATOM 0 HE2 PHE A 22 -14.092 10.316 -22.287 1.00 43.13 H new ATOM 0 HZ PHE A 22 -15.738 9.250 -23.777 1.00 2.42 H new ATOM 379 N LEU A 23 -11.759 5.924 -19.842 1.00 60.00 N ATOM 380 CA LEU A 23 -10.618 5.893 -20.751 1.00 13.31 C ATOM 381 C LEU A 23 -9.999 4.500 -20.800 1.00 45.51 C ATOM 382 O LEU A 23 -9.349 4.135 -21.779 1.00 71.51 O ATOM 383 CB LEU A 23 -9.567 6.917 -20.317 1.00 34.43 C ATOM 384 CG LEU A 23 -10.025 8.375 -20.280 1.00 75.03 C ATOM 385 CD1 LEU A 23 -10.871 8.700 -21.502 1.00 65.34 C ATOM 386 CD2 LEU A 23 -10.801 8.659 -19.002 1.00 74.44 C ATOM 0 H LEU A 23 -11.553 6.308 -18.920 1.00 60.00 H new ATOM 0 HA LEU A 23 -10.973 6.148 -21.750 1.00 13.31 H new ATOM 0 HB2 LEU A 23 -9.211 6.644 -19.324 1.00 34.43 H new ATOM 0 HB3 LEU A 23 -8.715 6.842 -20.993 1.00 34.43 H new ATOM 0 HG LEU A 23 -9.141 9.013 -20.294 1.00 75.03 H new ATOM 0 HD11 LEU A 23 -11.188 9.742 -21.458 1.00 65.34 H new ATOM 0 HD12 LEU A 23 -10.283 8.537 -22.405 1.00 65.34 H new ATOM 0 HD13 LEU A 23 -11.749 8.054 -21.519 1.00 65.34 H new ATOM 0 HD21 LEU A 23 -11.119 9.702 -18.993 1.00 74.44 H new ATOM 0 HD22 LEU A 23 -11.677 8.012 -18.957 1.00 74.44 H new ATOM 0 HD23 LEU A 23 -10.164 8.467 -18.139 1.00 74.44 H new ATOM 398 N GLU A 24 -10.206 3.728 -19.738 1.00 40.12 N ATOM 399 CA GLU A 24 -9.668 2.375 -19.662 1.00 32.10 C ATOM 400 C GLU A 24 -10.387 1.448 -20.638 1.00 34.12 C ATOM 401 O GLU A 24 -9.953 0.322 -20.876 1.00 62.03 O ATOM 402 CB GLU A 24 -9.795 1.831 -18.237 1.00 52.23 C ATOM 403 CG GLU A 24 -8.674 2.277 -17.314 1.00 31.33 C ATOM 404 CD GLU A 24 -7.516 1.298 -17.288 1.00 42.42 C ATOM 405 OE1 GLU A 24 -7.773 0.077 -17.252 1.00 64.30 O ATOM 406 OE2 GLU A 24 -6.353 1.754 -17.304 1.00 33.10 O ATOM 0 H GLU A 24 -10.742 4.016 -18.919 1.00 40.12 H new ATOM 0 HA GLU A 24 -8.614 2.415 -19.935 1.00 32.10 H new ATOM 0 HB2 GLU A 24 -10.749 2.152 -17.818 1.00 52.23 H new ATOM 0 HB3 GLU A 24 -9.813 0.742 -18.273 1.00 52.23 H new ATOM 0 HG2 GLU A 24 -8.312 3.254 -17.634 1.00 31.33 H new ATOM 0 HG3 GLU A 24 -9.066 2.397 -16.304 1.00 31.33 H new ATOM 413 N GLY A 25 -11.492 1.931 -21.199 1.00 62.22 N ATOM 414 CA GLY A 25 -12.254 1.133 -22.142 1.00 15.42 C ATOM 415 C GLY A 25 -11.626 1.107 -23.521 1.00 24.33 C ATOM 416 O GLY A 25 -11.871 0.190 -24.305 1.00 40.13 O ATOM 0 H GLY A 25 -11.873 2.860 -21.017 1.00 62.22 H new ATOM 0 HA2 GLY A 25 -12.338 0.114 -21.765 1.00 15.42 H new ATOM 0 HA3 GLY A 25 -13.266 1.531 -22.215 1.00 15.42 H new ATOM 420 N PHE A 26 -10.813 2.115 -23.818 1.00 51.33 N ATOM 421 CA PHE A 26 -10.149 2.205 -25.114 1.00 11.45 C ATOM 422 C PHE A 26 -8.699 1.740 -25.015 1.00 11.41 C ATOM 423 O PHE A 26 -8.243 1.315 -23.954 1.00 54.32 O ATOM 424 CB PHE A 26 -10.201 3.642 -25.638 1.00 73.33 C ATOM 425 CG PHE A 26 -11.570 4.256 -25.569 1.00 72.10 C ATOM 426 CD1 PHE A 26 -12.020 4.847 -24.400 1.00 10.54 C ATOM 427 CD2 PHE A 26 -12.407 4.242 -26.673 1.00 41.13 C ATOM 428 CE1 PHE A 26 -13.280 5.413 -24.333 1.00 64.40 C ATOM 429 CE2 PHE A 26 -13.667 4.806 -26.613 1.00 14.12 C ATOM 430 CZ PHE A 26 -14.104 5.393 -25.441 1.00 63.02 C ATOM 0 H PHE A 26 -10.598 2.881 -23.180 1.00 51.33 H new ATOM 0 HA PHE A 26 -10.675 1.552 -25.811 1.00 11.45 H new ATOM 0 HB2 PHE A 26 -9.507 4.255 -25.063 1.00 73.33 H new ATOM 0 HB3 PHE A 26 -9.857 3.656 -26.672 1.00 73.33 H new ATOM 0 HD1 PHE A 26 -11.379 4.866 -23.531 1.00 10.54 H new ATOM 0 HD2 PHE A 26 -12.071 3.785 -27.592 1.00 41.13 H new ATOM 0 HE1 PHE A 26 -13.619 5.870 -23.415 1.00 64.40 H new ATOM 0 HE2 PHE A 26 -14.309 4.788 -27.481 1.00 14.12 H new ATOM 0 HZ PHE A 26 -15.088 5.835 -25.392 1.00 63.02 H new ATOM 440 N ASN A 27 -7.980 1.824 -26.129 1.00 41.34 N ATOM 441 CA ASN A 27 -6.582 1.411 -26.170 1.00 2.32 C ATOM 442 C ASN A 27 -5.671 2.522 -25.655 1.00 53.24 C ATOM 443 O ASN A 27 -6.110 3.655 -25.456 1.00 10.34 O ATOM 444 CB ASN A 27 -6.182 1.029 -27.596 1.00 74.33 C ATOM 445 CG ASN A 27 -6.202 -0.471 -27.820 1.00 30.13 C ATOM 446 OD1 ASN A 27 -6.673 -1.230 -26.973 1.00 13.14 O ATOM 447 ND2 ASN A 27 -5.688 -0.905 -28.965 1.00 34.33 N ATOM 0 H ASN A 27 -8.342 2.174 -27.016 1.00 41.34 H new ATOM 0 HA ASN A 27 -6.468 0.541 -25.523 1.00 2.32 H new ATOM 0 HB2 ASN A 27 -6.861 1.508 -28.302 1.00 74.33 H new ATOM 0 HB3 ASN A 27 -5.183 1.412 -27.805 1.00 74.33 H new ATOM 0 HD21 ASN A 27 -5.673 -1.904 -29.171 1.00 34.33 H new ATOM 0 HD22 ASN A 27 -5.308 -0.239 -29.638 1.00 34.33 H new ATOM 454 N ILE A 28 -4.403 2.189 -25.444 1.00 5.31 N ATOM 455 CA ILE A 28 -3.430 3.159 -24.955 1.00 32.23 C ATOM 456 C ILE A 28 -2.735 3.871 -26.110 1.00 52.10 C ATOM 457 O ILE A 28 -2.352 5.035 -25.994 1.00 35.21 O ATOM 458 CB ILE A 28 -2.366 2.489 -24.065 1.00 15.43 C ATOM 459 CG1 ILE A 28 -1.470 3.548 -23.419 1.00 54.41 C ATOM 460 CG2 ILE A 28 -1.535 1.509 -24.879 1.00 12.31 C ATOM 461 CD1 ILE A 28 -2.191 4.418 -22.413 1.00 53.11 C ATOM 0 H ILE A 28 -4.025 1.255 -25.604 1.00 5.31 H new ATOM 0 HA ILE A 28 -3.982 3.888 -24.362 1.00 32.23 H new ATOM 0 HB ILE A 28 -2.872 1.936 -23.273 1.00 15.43 H new ATOM 0 HG12 ILE A 28 -0.634 3.053 -22.926 1.00 54.41 H new ATOM 0 HG13 ILE A 28 -1.049 4.182 -24.200 1.00 54.41 H new ATOM 0 HG21 ILE A 28 -0.788 1.044 -24.236 1.00 12.31 H new ATOM 0 HG22 ILE A 28 -2.185 0.739 -25.296 1.00 12.31 H new ATOM 0 HG23 ILE A 28 -1.036 2.040 -25.689 1.00 12.31 H new ATOM 0 HD11 ILE A 28 -1.495 5.145 -21.996 1.00 53.11 H new ATOM 0 HD12 ILE A 28 -3.010 4.941 -22.906 1.00 53.11 H new ATOM 0 HD13 ILE A 28 -2.588 3.795 -21.612 1.00 53.11 H new ATOM 473 N GLU A 29 -2.577 3.164 -27.225 1.00 12.32 N ATOM 474 CA GLU A 29 -1.929 3.730 -28.402 1.00 1.30 C ATOM 475 C GLU A 29 -2.749 4.884 -28.972 1.00 45.25 C ATOM 476 O GLU A 29 -2.200 5.837 -29.527 1.00 65.35 O ATOM 477 CB GLU A 29 -1.732 2.653 -29.471 1.00 21.04 C ATOM 478 CG GLU A 29 -2.991 1.857 -29.772 1.00 42.42 C ATOM 479 CD GLU A 29 -3.122 1.508 -31.242 1.00 11.11 C ATOM 480 OE1 GLU A 29 -2.612 0.443 -31.647 1.00 33.31 O ATOM 481 OE2 GLU A 29 -3.735 2.301 -31.987 1.00 74.10 O ATOM 0 H GLU A 29 -2.889 2.199 -27.338 1.00 12.32 H new ATOM 0 HA GLU A 29 -0.955 4.114 -28.100 1.00 1.30 H new ATOM 0 HB2 GLU A 29 -1.382 3.124 -30.389 1.00 21.04 H new ATOM 0 HB3 GLU A 29 -0.949 1.969 -29.145 1.00 21.04 H new ATOM 0 HG2 GLU A 29 -2.986 0.940 -29.183 1.00 42.42 H new ATOM 0 HG3 GLU A 29 -3.863 2.431 -29.459 1.00 42.42 H new ATOM 488 N THR A 30 -4.067 4.792 -28.832 1.00 74.34 N ATOM 489 CA THR A 30 -4.964 5.825 -29.335 1.00 4.45 C ATOM 490 C THR A 30 -4.743 7.146 -28.606 1.00 21.03 C ATOM 491 O THR A 30 -5.121 8.209 -29.098 1.00 44.24 O ATOM 492 CB THR A 30 -6.439 5.410 -29.185 1.00 55.34 C ATOM 493 OG1 THR A 30 -7.285 6.362 -29.842 1.00 23.23 O ATOM 494 CG2 THR A 30 -6.827 5.307 -27.718 1.00 51.30 C ATOM 0 H THR A 30 -4.538 4.012 -28.374 1.00 74.34 H new ATOM 0 HA THR A 30 -4.737 5.954 -30.393 1.00 4.45 H new ATOM 0 HB THR A 30 -6.566 4.431 -29.647 1.00 55.34 H new ATOM 0 HG1 THR A 30 -8.221 6.090 -29.743 1.00 23.23 H new ATOM 0 HG21 THR A 30 -7.873 5.012 -27.638 1.00 51.30 H new ATOM 0 HG22 THR A 30 -6.202 4.561 -27.228 1.00 51.30 H new ATOM 0 HG23 THR A 30 -6.684 6.274 -27.235 1.00 51.30 H new ATOM 502 N PHE A 31 -4.128 7.072 -27.430 1.00 34.13 N ATOM 503 CA PHE A 31 -3.857 8.262 -26.632 1.00 55.44 C ATOM 504 C PHE A 31 -2.520 8.885 -27.022 1.00 51.21 C ATOM 505 O PHE A 31 -1.616 8.195 -27.491 1.00 71.24 O ATOM 506 CB PHE A 31 -3.856 7.915 -25.142 1.00 71.23 C ATOM 507 CG PHE A 31 -5.085 7.174 -24.699 1.00 20.15 C ATOM 508 CD1 PHE A 31 -6.311 7.419 -25.296 1.00 31.44 C ATOM 509 CD2 PHE A 31 -5.014 6.233 -23.684 1.00 11.02 C ATOM 510 CE1 PHE A 31 -7.444 6.738 -24.890 1.00 2.31 C ATOM 511 CE2 PHE A 31 -6.143 5.549 -23.274 1.00 52.42 C ATOM 512 CZ PHE A 31 -7.360 5.803 -23.877 1.00 42.20 C ATOM 0 H PHE A 31 -3.808 6.200 -27.009 1.00 34.13 H new ATOM 0 HA PHE A 31 -4.647 8.987 -26.828 1.00 55.44 H new ATOM 0 HB2 PHE A 31 -2.977 7.311 -24.918 1.00 71.23 H new ATOM 0 HB3 PHE A 31 -3.767 8.834 -24.563 1.00 71.23 H new ATOM 0 HD1 PHE A 31 -6.383 8.150 -26.088 1.00 31.44 H new ATOM 0 HD2 PHE A 31 -4.066 6.032 -23.208 1.00 11.02 H new ATOM 0 HE1 PHE A 31 -8.394 6.937 -25.365 1.00 2.31 H new ATOM 0 HE2 PHE A 31 -6.074 4.817 -22.483 1.00 52.42 H new ATOM 0 HZ PHE A 31 -8.244 5.271 -23.557 1.00 42.20 H new ATOM 522 N GLU A 32 -2.404 10.195 -26.824 1.00 24.40 N ATOM 523 CA GLU A 32 -1.178 10.911 -27.156 1.00 65.40 C ATOM 524 C GLU A 32 -0.791 11.875 -26.038 1.00 63.41 C ATOM 525 O GLU A 32 -1.587 12.719 -25.629 1.00 33.30 O ATOM 526 CB GLU A 32 -1.348 11.677 -28.469 1.00 50.32 C ATOM 527 CG GLU A 32 -1.410 10.780 -29.694 1.00 53.30 C ATOM 528 CD GLU A 32 -1.149 11.534 -30.983 1.00 43.43 C ATOM 529 OE1 GLU A 32 -0.568 12.638 -30.917 1.00 13.32 O ATOM 530 OE2 GLU A 32 -1.524 11.021 -32.058 1.00 13.40 O ATOM 0 H GLU A 32 -3.143 10.781 -26.436 1.00 24.40 H new ATOM 0 HA GLU A 32 -0.380 10.178 -27.272 1.00 65.40 H new ATOM 0 HB2 GLU A 32 -2.260 12.271 -28.418 1.00 50.32 H new ATOM 0 HB3 GLU A 32 -0.519 12.375 -28.582 1.00 50.32 H new ATOM 0 HG2 GLU A 32 -0.677 9.980 -29.591 1.00 53.30 H new ATOM 0 HG3 GLU A 32 -2.392 10.309 -29.745 1.00 53.30 H new ATOM 537 N MET A 33 0.438 11.741 -25.548 1.00 54.35 N ATOM 538 CA MET A 33 0.931 12.601 -24.478 1.00 73.44 C ATOM 539 C MET A 33 0.843 14.070 -24.877 1.00 53.31 C ATOM 540 O MET A 33 1.545 14.522 -25.782 1.00 21.52 O ATOM 541 CB MET A 33 2.376 12.240 -24.131 1.00 44.00 C ATOM 542 CG MET A 33 2.793 12.676 -22.736 1.00 1.22 C ATOM 543 SD MET A 33 4.481 13.308 -22.681 1.00 11.33 S ATOM 544 CE MET A 33 4.415 14.323 -21.206 1.00 75.12 C ATOM 0 H MET A 33 1.110 11.046 -25.874 1.00 54.35 H new ATOM 0 HA MET A 33 0.304 12.444 -23.601 1.00 73.44 H new ATOM 0 HB2 MET A 33 2.503 11.161 -24.219 1.00 44.00 H new ATOM 0 HB3 MET A 33 3.042 12.700 -24.861 1.00 44.00 H new ATOM 0 HG2 MET A 33 2.109 13.447 -22.381 1.00 1.22 H new ATOM 0 HG3 MET A 33 2.703 11.831 -22.053 1.00 1.22 H new ATOM 0 HE1 MET A 33 5.402 14.360 -20.746 1.00 75.12 H new ATOM 0 HE2 MET A 33 4.101 15.332 -21.472 1.00 75.12 H new ATOM 0 HE3 MET A 33 3.702 13.895 -20.501 1.00 75.12 H new ATOM 554 N VAL A 34 -0.025 14.813 -24.196 1.00 62.44 N ATOM 555 CA VAL A 34 -0.204 16.232 -24.479 1.00 60.33 C ATOM 556 C VAL A 34 0.813 17.076 -23.720 1.00 45.13 C ATOM 557 O VAL A 34 1.573 17.838 -24.318 1.00 33.24 O ATOM 558 CB VAL A 34 -1.623 16.703 -24.110 1.00 72.21 C ATOM 559 CG1 VAL A 34 -1.776 18.194 -24.371 1.00 22.50 C ATOM 560 CG2 VAL A 34 -2.666 15.909 -24.883 1.00 25.54 C ATOM 0 H VAL A 34 -0.615 14.455 -23.445 1.00 62.44 H new ATOM 0 HA VAL A 34 -0.053 16.363 -25.551 1.00 60.33 H new ATOM 0 HB VAL A 34 -1.780 16.527 -23.046 1.00 72.21 H new ATOM 0 HG11 VAL A 34 -2.785 18.508 -24.104 1.00 22.50 H new ATOM 0 HG12 VAL A 34 -1.053 18.745 -23.769 1.00 22.50 H new ATOM 0 HG13 VAL A 34 -1.599 18.399 -25.427 1.00 22.50 H new ATOM 0 HG21 VAL A 34 -3.663 16.255 -24.610 1.00 25.54 H new ATOM 0 HG22 VAL A 34 -2.513 16.052 -25.953 1.00 25.54 H new ATOM 0 HG23 VAL A 34 -2.570 14.851 -24.641 1.00 25.54 H new ATOM 570 N GLY A 35 0.823 16.935 -22.398 1.00 63.21 N ATOM 571 CA GLY A 35 1.752 17.691 -21.578 1.00 70.43 C ATOM 572 C GLY A 35 1.898 17.113 -20.185 1.00 31.34 C ATOM 573 O GLY A 35 1.375 16.037 -19.892 1.00 25.50 O ATOM 0 H GLY A 35 0.204 16.311 -21.880 1.00 63.21 H new ATOM 0 HA2 GLY A 35 2.728 17.711 -22.064 1.00 70.43 H new ATOM 0 HA3 GLY A 35 1.411 18.724 -21.506 1.00 70.43 H new ATOM 577 N THR A 36 2.612 17.828 -19.321 1.00 21.33 N ATOM 578 CA THR A 36 2.828 17.379 -17.951 1.00 60.42 C ATOM 579 C THR A 36 2.859 18.557 -16.985 1.00 22.15 C ATOM 580 O THR A 36 3.401 19.617 -17.299 1.00 41.34 O ATOM 581 CB THR A 36 4.143 16.587 -17.820 1.00 72.13 C ATOM 582 OG1 THR A 36 5.124 17.114 -18.721 1.00 34.22 O ATOM 583 CG2 THR A 36 3.918 15.111 -18.114 1.00 53.44 C ATOM 0 H THR A 36 3.051 18.721 -19.546 1.00 21.33 H new ATOM 0 HA THR A 36 1.993 16.726 -17.697 1.00 60.42 H new ATOM 0 HB THR A 36 4.501 16.686 -16.795 1.00 72.13 H new ATOM 0 HG1 THR A 36 5.073 18.093 -18.724 1.00 34.22 H new ATOM 0 HG21 THR A 36 4.861 14.573 -18.015 1.00 53.44 H new ATOM 0 HG22 THR A 36 3.193 14.706 -17.408 1.00 53.44 H new ATOM 0 HG23 THR A 36 3.539 14.996 -19.130 1.00 53.44 H new ATOM 591 N LEU A 37 2.276 18.365 -15.807 1.00 11.24 N ATOM 592 CA LEU A 37 2.238 19.413 -14.792 1.00 74.12 C ATOM 593 C LEU A 37 3.065 19.020 -13.572 1.00 51.33 C ATOM 594 O LEU A 37 3.057 17.864 -13.151 1.00 21.14 O ATOM 595 CB LEU A 37 0.793 19.693 -14.374 1.00 60.03 C ATOM 596 CG LEU A 37 0.575 20.927 -13.499 1.00 11.43 C ATOM 597 CD1 LEU A 37 0.975 20.639 -12.060 1.00 44.02 C ATOM 598 CD2 LEU A 37 1.357 22.113 -14.044 1.00 51.34 C ATOM 0 H LEU A 37 1.823 17.494 -15.531 1.00 11.24 H new ATOM 0 HA LEU A 37 2.667 20.318 -15.223 1.00 74.12 H new ATOM 0 HB2 LEU A 37 0.189 19.800 -15.275 1.00 60.03 H new ATOM 0 HB3 LEU A 37 0.415 18.822 -13.839 1.00 60.03 H new ATOM 0 HG LEU A 37 -0.486 21.178 -13.517 1.00 11.43 H new ATOM 0 HD11 LEU A 37 0.813 21.529 -11.452 1.00 44.02 H new ATOM 0 HD12 LEU A 37 0.371 19.819 -11.671 1.00 44.02 H new ATOM 0 HD13 LEU A 37 2.029 20.362 -12.024 1.00 44.02 H new ATOM 0 HD21 LEU A 37 1.190 22.982 -13.408 1.00 51.34 H new ATOM 0 HD22 LEU A 37 2.420 21.873 -14.057 1.00 51.34 H new ATOM 0 HD23 LEU A 37 1.022 22.335 -15.057 1.00 51.34 H new ATOM 610 N SER A 38 3.776 19.991 -13.009 1.00 1.44 N ATOM 611 CA SER A 38 4.610 19.747 -11.838 1.00 1.14 C ATOM 612 C SER A 38 4.553 20.928 -10.874 1.00 12.42 C ATOM 613 O SER A 38 4.764 22.075 -11.267 1.00 33.22 O ATOM 614 CB SER A 38 6.058 19.489 -12.261 1.00 15.41 C ATOM 615 OG SER A 38 6.769 20.706 -12.410 1.00 64.42 O ATOM 0 H SER A 38 3.791 20.954 -13.345 1.00 1.44 H new ATOM 0 HA SER A 38 4.225 18.864 -11.327 1.00 1.14 H new ATOM 0 HB2 SER A 38 6.552 18.864 -11.517 1.00 15.41 H new ATOM 0 HB3 SER A 38 6.073 18.938 -13.201 1.00 15.41 H new ATOM 0 HG SER A 38 6.151 21.460 -12.310 1.00 64.42 H new ATOM 621 N ASN A 39 4.266 20.639 -9.609 1.00 35.51 N ATOM 622 CA ASN A 39 4.179 21.676 -8.588 1.00 4.14 C ATOM 623 C ASN A 39 4.118 21.062 -7.192 1.00 53.13 C ATOM 624 O ASN A 39 4.304 19.857 -7.024 1.00 52.34 O ATOM 625 CB ASN A 39 2.949 22.554 -8.825 1.00 43.25 C ATOM 626 CG ASN A 39 1.658 21.857 -8.442 1.00 4.14 C ATOM 627 OD1 ASN A 39 0.887 22.361 -7.624 1.00 63.54 O ATOM 628 ND2 ASN A 39 1.417 20.692 -9.031 1.00 64.11 N ATOM 0 H ASN A 39 4.090 19.695 -9.266 1.00 35.51 H new ATOM 0 HA ASN A 39 5.075 22.293 -8.656 1.00 4.14 H new ATOM 0 HB2 ASN A 39 3.047 23.474 -8.249 1.00 43.25 H new ATOM 0 HB3 ASN A 39 2.907 22.839 -9.876 1.00 43.25 H new ATOM 0 HD21 ASN A 39 0.565 20.176 -8.812 1.00 64.11 H new ATOM 0 HD22 ASN A 39 2.084 20.312 -9.703 1.00 64.11 H new ATOM 635 N ALA A 40 3.854 21.900 -6.194 1.00 65.54 N ATOM 636 CA ALA A 40 3.765 21.439 -4.814 1.00 43.23 C ATOM 637 C ALA A 40 2.804 20.262 -4.689 1.00 40.21 C ATOM 638 O ALA A 40 3.031 19.346 -3.899 1.00 71.15 O ATOM 639 CB ALA A 40 3.329 22.579 -3.905 1.00 70.41 C ATOM 0 H ALA A 40 3.698 22.901 -6.316 1.00 65.54 H new ATOM 0 HA ALA A 40 4.754 21.100 -4.505 1.00 43.23 H new ATOM 0 HB1 ALA A 40 3.266 22.221 -2.877 1.00 70.41 H new ATOM 0 HB2 ALA A 40 4.056 23.389 -3.964 1.00 70.41 H new ATOM 0 HB3 ALA A 40 2.352 22.944 -4.222 1.00 70.41 H new ATOM 645 N GLN A 41 1.731 20.295 -5.472 1.00 73.23 N ATOM 646 CA GLN A 41 0.734 19.230 -5.447 1.00 5.41 C ATOM 647 C GLN A 41 1.338 17.909 -5.910 1.00 62.32 C ATOM 648 O GLN A 41 0.946 16.839 -5.446 1.00 75.04 O ATOM 649 CB GLN A 41 -0.458 19.598 -6.332 1.00 20.13 C ATOM 650 CG GLN A 41 -1.672 20.074 -5.550 1.00 22.21 C ATOM 651 CD GLN A 41 -2.307 18.969 -4.729 1.00 1.02 C ATOM 652 OE1 GLN A 41 -1.766 18.551 -3.705 1.00 5.33 O ATOM 653 NE2 GLN A 41 -3.462 18.489 -5.174 1.00 51.24 N ATOM 0 H GLN A 41 1.529 21.047 -6.131 1.00 73.23 H new ATOM 0 HA GLN A 41 0.391 19.111 -4.419 1.00 5.41 H new ATOM 0 HB2 GLN A 41 -0.155 20.380 -7.028 1.00 20.13 H new ATOM 0 HB3 GLN A 41 -0.738 18.730 -6.929 1.00 20.13 H new ATOM 0 HG2 GLN A 41 -1.377 20.889 -4.889 1.00 22.21 H new ATOM 0 HG3 GLN A 41 -2.411 20.477 -6.243 1.00 22.21 H new ATOM 0 HE21 GLN A 41 -3.875 18.864 -6.028 1.00 51.24 H new ATOM 0 HE22 GLN A 41 -3.936 17.745 -4.662 1.00 51.24 H new ATOM 662 N GLY A 42 2.296 17.991 -6.829 1.00 31.40 N ATOM 663 CA GLY A 42 2.938 16.794 -7.340 1.00 70.21 C ATOM 664 C GLY A 42 3.164 16.852 -8.838 1.00 31.52 C ATOM 665 O GLY A 42 3.249 17.934 -9.420 1.00 25.52 O ATOM 0 H GLY A 42 2.639 18.865 -7.228 1.00 31.40 H new ATOM 0 HA2 GLY A 42 3.895 16.655 -6.836 1.00 70.21 H new ATOM 0 HA3 GLY A 42 2.324 15.926 -7.102 1.00 70.21 H new ATOM 669 N THR A 43 3.263 15.684 -9.465 1.00 74.35 N ATOM 670 CA THR A 43 3.483 15.605 -10.904 1.00 1.40 C ATOM 671 C THR A 43 2.330 14.890 -11.599 1.00 23.33 C ATOM 672 O THR A 43 2.092 13.704 -11.366 1.00 40.34 O ATOM 673 CB THR A 43 4.798 14.874 -11.232 1.00 5.02 C ATOM 674 OG1 THR A 43 5.727 15.029 -10.153 1.00 20.33 O ATOM 675 CG2 THR A 43 5.411 15.412 -12.516 1.00 3.11 C ATOM 0 H THR A 43 3.194 14.779 -8.999 1.00 74.35 H new ATOM 0 HA THR A 43 3.544 16.630 -11.270 1.00 1.40 H new ATOM 0 HB THR A 43 4.575 13.816 -11.370 1.00 5.02 H new ATOM 0 HG1 THR A 43 6.560 14.560 -10.369 1.00 20.33 H new ATOM 0 HG21 THR A 43 6.339 14.880 -12.727 1.00 3.11 H new ATOM 0 HG22 THR A 43 4.714 15.266 -13.341 1.00 3.11 H new ATOM 0 HG23 THR A 43 5.620 16.476 -12.401 1.00 3.11 H new ATOM 683 N PHE A 44 1.617 15.617 -12.453 1.00 24.42 N ATOM 684 CA PHE A 44 0.488 15.051 -13.182 1.00 24.52 C ATOM 685 C PHE A 44 0.801 14.944 -14.672 1.00 10.55 C ATOM 686 O PHE A 44 1.660 15.658 -15.189 1.00 14.33 O ATOM 687 CB PHE A 44 -0.763 15.906 -12.971 1.00 45.13 C ATOM 688 CG PHE A 44 -1.031 16.230 -11.530 1.00 14.35 C ATOM 689 CD1 PHE A 44 -0.402 17.302 -10.918 1.00 4.23 C ATOM 690 CD2 PHE A 44 -1.914 15.464 -10.786 1.00 72.42 C ATOM 691 CE1 PHE A 44 -0.647 17.602 -9.591 1.00 43.11 C ATOM 692 CE2 PHE A 44 -2.164 15.759 -9.459 1.00 64.12 C ATOM 693 CZ PHE A 44 -1.530 16.830 -8.861 1.00 43.42 C ATOM 0 H PHE A 44 1.801 16.599 -12.657 1.00 24.42 H new ATOM 0 HA PHE A 44 0.303 14.049 -12.795 1.00 24.52 H new ATOM 0 HB2 PHE A 44 -0.657 16.835 -13.530 1.00 45.13 H new ATOM 0 HB3 PHE A 44 -1.625 15.382 -13.384 1.00 45.13 H new ATOM 0 HD1 PHE A 44 0.288 17.910 -11.484 1.00 4.23 H new ATOM 0 HD2 PHE A 44 -2.413 14.626 -11.249 1.00 72.42 H new ATOM 0 HE1 PHE A 44 -0.148 18.439 -9.125 1.00 43.11 H new ATOM 0 HE2 PHE A 44 -2.854 15.153 -8.891 1.00 64.12 H new ATOM 0 HZ PHE A 44 -1.724 17.064 -7.825 1.00 43.42 H new ATOM 703 N ALA A 45 0.098 14.048 -15.355 1.00 72.42 N ATOM 704 CA ALA A 45 0.298 13.848 -16.785 1.00 44.31 C ATOM 705 C ALA A 45 -0.971 14.168 -17.567 1.00 40.03 C ATOM 706 O ALA A 45 -2.058 13.703 -17.223 1.00 74.44 O ATOM 707 CB ALA A 45 0.745 12.420 -17.061 1.00 43.44 C ATOM 0 H ALA A 45 -0.616 13.448 -14.941 1.00 72.42 H new ATOM 0 HA ALA A 45 1.079 14.532 -17.116 1.00 44.31 H new ATOM 0 HB1 ALA A 45 0.890 12.285 -18.133 1.00 43.44 H new ATOM 0 HB2 ALA A 45 1.682 12.225 -16.540 1.00 43.44 H new ATOM 0 HB3 ALA A 45 -0.017 11.725 -16.708 1.00 43.44 H new ATOM 713 N LEU A 46 -0.826 14.965 -18.620 1.00 54.11 N ATOM 714 CA LEU A 46 -1.962 15.348 -19.452 1.00 33.04 C ATOM 715 C LEU A 46 -1.931 14.613 -20.788 1.00 34.13 C ATOM 716 O LEU A 46 -0.990 14.760 -21.568 1.00 33.14 O ATOM 717 CB LEU A 46 -1.960 16.859 -19.688 1.00 11.31 C ATOM 718 CG LEU A 46 -1.502 17.722 -18.512 1.00 23.15 C ATOM 719 CD1 LEU A 46 -1.672 19.198 -18.834 1.00 42.41 C ATOM 720 CD2 LEU A 46 -2.272 17.357 -17.251 1.00 0.42 C ATOM 0 H LEU A 46 0.067 15.359 -18.918 1.00 54.11 H new ATOM 0 HA LEU A 46 -2.876 15.070 -18.927 1.00 33.04 H new ATOM 0 HB2 LEU A 46 -1.316 17.072 -20.541 1.00 11.31 H new ATOM 0 HB3 LEU A 46 -2.969 17.164 -19.965 1.00 11.31 H new ATOM 0 HG LEU A 46 -0.444 17.530 -18.336 1.00 23.15 H new ATOM 0 HD11 LEU A 46 -1.341 19.796 -17.985 1.00 42.41 H new ATOM 0 HD12 LEU A 46 -1.075 19.450 -19.711 1.00 42.41 H new ATOM 0 HD13 LEU A 46 -2.722 19.407 -19.038 1.00 42.41 H new ATOM 0 HD21 LEU A 46 -1.933 17.981 -16.424 1.00 0.42 H new ATOM 0 HD22 LEU A 46 -3.337 17.520 -17.415 1.00 0.42 H new ATOM 0 HD23 LEU A 46 -2.098 16.309 -17.009 1.00 0.42 H new ATOM 732 N VAL A 47 -2.968 13.822 -21.047 1.00 12.35 N ATOM 733 CA VAL A 47 -3.062 13.067 -22.290 1.00 22.41 C ATOM 734 C VAL A 47 -4.370 13.362 -23.015 1.00 62.14 C ATOM 735 O VAL A 47 -5.341 13.815 -22.409 1.00 22.11 O ATOM 736 CB VAL A 47 -2.960 11.551 -22.035 1.00 0.14 C ATOM 737 CG1 VAL A 47 -4.233 11.032 -21.383 1.00 3.52 C ATOM 738 CG2 VAL A 47 -2.676 10.810 -23.333 1.00 1.53 C ATOM 0 H VAL A 47 -3.755 13.688 -20.412 1.00 12.35 H new ATOM 0 HA VAL A 47 -2.225 13.380 -22.914 1.00 22.41 H new ATOM 0 HB VAL A 47 -2.130 11.371 -21.351 1.00 0.14 H new ATOM 0 HG11 VAL A 47 -4.142 9.960 -21.211 1.00 3.52 H new ATOM 0 HG12 VAL A 47 -4.388 11.541 -20.431 1.00 3.52 H new ATOM 0 HG13 VAL A 47 -5.082 11.223 -22.039 1.00 3.52 H new ATOM 0 HG21 VAL A 47 -2.607 9.741 -23.134 1.00 1.53 H new ATOM 0 HG22 VAL A 47 -3.483 10.996 -24.042 1.00 1.53 H new ATOM 0 HG23 VAL A 47 -1.734 11.162 -23.754 1.00 1.53 H new ATOM 748 N LYS A 48 -4.389 13.102 -24.318 1.00 60.12 N ATOM 749 CA LYS A 48 -5.578 13.338 -25.129 1.00 30.55 C ATOM 750 C LYS A 48 -6.038 12.051 -25.806 1.00 72.04 C ATOM 751 O LYS A 48 -5.221 11.245 -26.250 1.00 53.34 O ATOM 752 CB LYS A 48 -5.297 14.410 -26.183 1.00 52.14 C ATOM 753 CG LYS A 48 -6.458 14.646 -27.134 1.00 44.54 C ATOM 754 CD LYS A 48 -6.048 15.521 -28.308 1.00 21.14 C ATOM 755 CE LYS A 48 -7.252 15.946 -29.134 1.00 35.44 C ATOM 756 NZ LYS A 48 -6.869 16.859 -30.245 1.00 45.21 N ATOM 0 H LYS A 48 -3.594 12.727 -24.835 1.00 60.12 H new ATOM 0 HA LYS A 48 -6.374 13.686 -24.470 1.00 30.55 H new ATOM 0 HB2 LYS A 48 -5.053 15.346 -25.681 1.00 52.14 H new ATOM 0 HB3 LYS A 48 -4.419 14.119 -26.760 1.00 52.14 H new ATOM 0 HG2 LYS A 48 -6.827 13.689 -27.503 1.00 44.54 H new ATOM 0 HG3 LYS A 48 -7.280 15.119 -26.596 1.00 44.54 H new ATOM 0 HD2 LYS A 48 -5.528 16.405 -27.940 1.00 21.14 H new ATOM 0 HD3 LYS A 48 -5.345 14.978 -28.940 1.00 21.14 H new ATOM 0 HE2 LYS A 48 -7.742 15.062 -29.543 1.00 35.44 H new ATOM 0 HE3 LYS A 48 -7.977 16.443 -28.490 1.00 35.44 H new ATOM 0 HZ1 LYS A 48 -7.718 17.125 -30.784 1.00 45.21 H new ATOM 0 HZ2 LYS A 48 -6.425 17.714 -29.854 1.00 45.21 H new ATOM 0 HZ3 LYS A 48 -6.197 16.376 -30.875 1.00 45.21 H new ATOM 770 N GLY A 49 -7.353 11.865 -25.884 1.00 4.31 N ATOM 771 CA GLY A 49 -7.898 10.675 -26.510 1.00 51.45 C ATOM 772 C GLY A 49 -9.410 10.614 -26.421 1.00 0.21 C ATOM 773 O GLY A 49 -10.086 11.639 -26.512 1.00 62.44 O ATOM 0 H GLY A 49 -8.050 12.518 -25.525 1.00 4.31 H new ATOM 0 HA2 GLY A 49 -7.597 10.649 -27.557 1.00 51.45 H new ATOM 0 HA3 GLY A 49 -7.473 9.791 -26.034 1.00 51.45 H new ATOM 777 N ALA A 50 -9.942 9.410 -26.243 1.00 74.41 N ATOM 778 CA ALA A 50 -11.384 9.219 -26.141 1.00 61.01 C ATOM 779 C ALA A 50 -11.990 10.160 -25.106 1.00 12.31 C ATOM 780 O ALA A 50 -11.701 10.058 -23.915 1.00 21.14 O ATOM 781 CB ALA A 50 -11.702 7.773 -25.792 1.00 64.51 C ATOM 0 H ALA A 50 -9.396 8.552 -26.166 1.00 74.41 H new ATOM 0 HA ALA A 50 -11.826 9.453 -27.110 1.00 61.01 H new ATOM 0 HB1 ALA A 50 -12.782 7.645 -25.719 1.00 64.51 H new ATOM 0 HB2 ALA A 50 -11.311 7.117 -26.569 1.00 64.51 H new ATOM 0 HB3 ALA A 50 -11.241 7.519 -24.837 1.00 64.51 H new ATOM 787 N GLY A 51 -12.833 11.079 -25.569 1.00 61.43 N ATOM 788 CA GLY A 51 -13.466 12.026 -24.670 1.00 61.40 C ATOM 789 C GLY A 51 -12.858 13.411 -24.765 1.00 70.14 C ATOM 790 O GLY A 51 -13.562 14.414 -24.659 1.00 52.12 O ATOM 0 H GLY A 51 -13.088 11.184 -26.551 1.00 61.43 H new ATOM 0 HA2 GLY A 51 -14.530 12.083 -24.898 1.00 61.40 H new ATOM 0 HA3 GLY A 51 -13.379 11.664 -23.646 1.00 61.40 H new ATOM 794 N GLY A 52 -11.545 13.467 -24.965 1.00 24.01 N ATOM 795 CA GLY A 52 -10.864 14.744 -25.069 1.00 41.41 C ATOM 796 C GLY A 52 -9.542 14.759 -24.328 1.00 64.13 C ATOM 797 O GLY A 52 -8.520 14.322 -24.858 1.00 42.12 O ATOM 0 H GLY A 52 -10.941 12.650 -25.057 1.00 24.01 H new ATOM 0 HA2 GLY A 52 -10.690 14.975 -26.120 1.00 41.41 H new ATOM 0 HA3 GLY A 52 -11.508 15.529 -24.672 1.00 41.41 H new ATOM 801 N VAL A 53 -9.559 15.264 -23.099 1.00 12.21 N ATOM 802 CA VAL A 53 -8.352 15.335 -22.284 1.00 33.31 C ATOM 803 C VAL A 53 -8.500 14.510 -21.010 1.00 73.13 C ATOM 804 O VAL A 53 -9.546 14.533 -20.361 1.00 12.24 O ATOM 805 CB VAL A 53 -8.015 16.789 -21.904 1.00 75.05 C ATOM 806 CG1 VAL A 53 -7.368 17.511 -23.077 1.00 33.43 C ATOM 807 CG2 VAL A 53 -9.266 17.521 -21.441 1.00 44.52 C ATOM 0 H VAL A 53 -10.396 15.630 -22.645 1.00 12.21 H new ATOM 0 HA VAL A 53 -7.540 14.927 -22.886 1.00 33.31 H new ATOM 0 HB VAL A 53 -7.303 16.776 -21.079 1.00 75.05 H new ATOM 0 HG11 VAL A 53 -7.137 18.537 -22.790 1.00 33.43 H new ATOM 0 HG12 VAL A 53 -6.449 16.997 -23.358 1.00 33.43 H new ATOM 0 HG13 VAL A 53 -8.054 17.517 -23.924 1.00 33.43 H new ATOM 0 HG21 VAL A 53 -9.010 18.547 -21.176 1.00 44.52 H new ATOM 0 HG22 VAL A 53 -10.003 17.526 -22.244 1.00 44.52 H new ATOM 0 HG23 VAL A 53 -9.683 17.015 -20.570 1.00 44.52 H new ATOM 817 N HIS A 54 -7.446 13.781 -20.658 1.00 1.22 N ATOM 818 CA HIS A 54 -7.458 12.949 -19.460 1.00 64.10 C ATOM 819 C HIS A 54 -6.277 13.284 -18.554 1.00 1.32 C ATOM 820 O HIS A 54 -5.132 13.337 -19.004 1.00 12.02 O ATOM 821 CB HIS A 54 -7.419 11.469 -19.841 1.00 64.24 C ATOM 822 CG HIS A 54 -8.025 11.179 -21.180 1.00 1.01 C ATOM 823 ND1 HIS A 54 -7.422 10.370 -22.120 1.00 33.11 N ATOM 824 CD2 HIS A 54 -9.188 11.594 -21.733 1.00 52.35 C ATOM 825 CE1 HIS A 54 -8.188 10.301 -23.194 1.00 43.44 C ATOM 826 NE2 HIS A 54 -9.266 11.035 -22.985 1.00 42.34 N ATOM 0 H HIS A 54 -6.573 13.749 -21.185 1.00 1.22 H new ATOM 0 HA HIS A 54 -8.380 13.152 -18.916 1.00 64.10 H new ATOM 0 HB2 HIS A 54 -6.383 11.129 -19.839 1.00 64.24 H new ATOM 0 HB3 HIS A 54 -7.946 10.892 -19.080 1.00 64.24 H new ATOM 0 HD2 HIS A 54 -9.919 12.244 -21.275 1.00 52.35 H new ATOM 0 HE1 HIS A 54 -7.970 9.740 -24.091 1.00 43.44 H new ATOM 0 HE2 HIS A 54 -10.032 11.165 -23.646 1.00 42.34 H new ATOM 834 N ARG A 55 -6.564 13.511 -17.276 1.00 65.30 N ATOM 835 CA ARG A 55 -5.526 13.843 -16.307 1.00 63.15 C ATOM 836 C ARG A 55 -5.213 12.646 -15.413 1.00 54.54 C ATOM 837 O ARG A 55 -6.094 12.121 -14.732 1.00 63.41 O ATOM 838 CB ARG A 55 -5.960 15.034 -15.451 1.00 21.30 C ATOM 839 CG ARG A 55 -6.030 16.343 -16.219 1.00 55.24 C ATOM 840 CD ARG A 55 -5.767 17.536 -15.313 1.00 71.34 C ATOM 841 NE ARG A 55 -5.218 18.671 -16.049 1.00 40.42 N ATOM 842 CZ ARG A 55 -5.929 19.418 -16.887 1.00 33.23 C ATOM 843 NH1 ARG A 55 -7.211 19.150 -17.093 1.00 54.10 N ATOM 844 NH2 ARG A 55 -5.358 20.435 -17.519 1.00 74.14 N ATOM 0 H ARG A 55 -7.506 13.471 -16.888 1.00 65.30 H new ATOM 0 HA ARG A 55 -4.623 14.109 -16.856 1.00 63.15 H new ATOM 0 HB2 ARG A 55 -6.939 14.823 -15.020 1.00 21.30 H new ATOM 0 HB3 ARG A 55 -5.263 15.147 -14.621 1.00 21.30 H new ATOM 0 HG2 ARG A 55 -5.299 16.331 -17.028 1.00 55.24 H new ATOM 0 HG3 ARG A 55 -7.013 16.444 -16.679 1.00 55.24 H new ATOM 0 HD2 ARG A 55 -6.696 17.834 -14.827 1.00 71.34 H new ATOM 0 HD3 ARG A 55 -5.073 17.246 -14.524 1.00 71.34 H new ATOM 0 HE ARG A 55 -4.234 18.903 -15.912 1.00 40.42 H new ATOM 0 HH11 ARG A 55 -7.653 18.369 -16.608 1.00 54.10 H new ATOM 0 HH12 ARG A 55 -7.755 19.725 -17.737 1.00 54.10 H new ATOM 0 HH21 ARG A 55 -4.372 20.644 -17.362 1.00 74.14 H new ATOM 0 HH22 ARG A 55 -5.905 21.008 -18.162 1.00 74.14 H new ATOM 858 N VAL A 56 -3.954 12.221 -15.421 1.00 71.03 N ATOM 859 CA VAL A 56 -3.525 11.087 -14.611 1.00 50.31 C ATOM 860 C VAL A 56 -2.120 11.305 -14.062 1.00 25.20 C ATOM 861 O VAL A 56 -1.214 11.711 -14.790 1.00 64.31 O ATOM 862 CB VAL A 56 -3.551 9.777 -15.421 1.00 0.15 C ATOM 863 CG1 VAL A 56 -4.981 9.294 -15.609 1.00 40.24 C ATOM 864 CG2 VAL A 56 -2.862 9.967 -16.763 1.00 40.34 C ATOM 0 H VAL A 56 -3.213 12.645 -15.979 1.00 71.03 H new ATOM 0 HA VAL A 56 -4.228 11.006 -13.782 1.00 50.31 H new ATOM 0 HB VAL A 56 -3.006 9.015 -14.864 1.00 0.15 H new ATOM 0 HG11 VAL A 56 -4.980 8.368 -16.183 1.00 40.24 H new ATOM 0 HG12 VAL A 56 -5.436 9.116 -14.635 1.00 40.24 H new ATOM 0 HG13 VAL A 56 -5.554 10.052 -16.144 1.00 40.24 H new ATOM 0 HG21 VAL A 56 -2.890 9.032 -17.322 1.00 40.34 H new ATOM 0 HG22 VAL A 56 -3.376 10.743 -17.329 1.00 40.34 H new ATOM 0 HG23 VAL A 56 -1.825 10.262 -16.601 1.00 40.34 H new ATOM 874 N ARG A 57 -1.945 11.032 -12.773 1.00 61.31 N ATOM 875 CA ARG A 57 -0.649 11.198 -12.126 1.00 14.24 C ATOM 876 C ARG A 57 -0.027 9.844 -11.798 1.00 35.04 C ATOM 877 O ARG A 57 -0.623 8.797 -12.054 1.00 2.25 O ATOM 878 CB ARG A 57 -0.797 12.027 -10.848 1.00 24.30 C ATOM 879 CG ARG A 57 -1.689 11.379 -9.802 1.00 10.23 C ATOM 880 CD ARG A 57 -2.311 12.417 -8.880 1.00 44.14 C ATOM 881 NE ARG A 57 -3.635 12.831 -9.336 1.00 60.44 N ATOM 882 CZ ARG A 57 -4.742 12.134 -9.106 1.00 14.23 C ATOM 883 NH1 ARG A 57 -4.685 10.996 -8.428 1.00 4.44 N ATOM 884 NH2 ARG A 57 -5.911 12.576 -9.553 1.00 42.11 N ATOM 0 H ARG A 57 -2.684 10.695 -12.156 1.00 61.31 H new ATOM 0 HA ARG A 57 0.010 11.722 -12.818 1.00 14.24 H new ATOM 0 HB2 ARG A 57 0.190 12.195 -10.418 1.00 24.30 H new ATOM 0 HB3 ARG A 57 -1.204 13.005 -11.105 1.00 24.30 H new ATOM 0 HG2 ARG A 57 -2.477 10.811 -10.296 1.00 10.23 H new ATOM 0 HG3 ARG A 57 -1.106 10.671 -9.213 1.00 10.23 H new ATOM 0 HD2 ARG A 57 -2.386 12.008 -7.872 1.00 44.14 H new ATOM 0 HD3 ARG A 57 -1.659 13.288 -8.823 1.00 44.14 H new ATOM 0 HE ARG A 57 -3.714 13.703 -9.860 1.00 60.44 H new ATOM 0 HH11 ARG A 57 -3.789 10.653 -8.081 1.00 4.44 H new ATOM 0 HH12 ARG A 57 -5.537 10.463 -8.253 1.00 4.44 H new ATOM 0 HH21 ARG A 57 -5.960 13.452 -10.074 1.00 42.11 H new ATOM 0 HH22 ARG A 57 -6.760 12.040 -9.376 1.00 42.11 H new ATOM 898 N VAL A 58 1.174 9.872 -11.230 1.00 2.21 N ATOM 899 CA VAL A 58 1.877 8.648 -10.866 1.00 71.43 C ATOM 900 C VAL A 58 0.979 7.718 -10.059 1.00 35.44 C ATOM 901 O VAL A 58 0.533 8.063 -8.965 1.00 53.02 O ATOM 902 CB VAL A 58 3.148 8.951 -10.051 1.00 62.23 C ATOM 903 CG1 VAL A 58 3.870 7.662 -9.688 1.00 13.12 C ATOM 904 CG2 VAL A 58 4.066 9.885 -10.825 1.00 1.41 C ATOM 0 H VAL A 58 1.681 10.730 -11.012 1.00 2.21 H new ATOM 0 HA VAL A 58 2.160 8.157 -11.797 1.00 71.43 H new ATOM 0 HB VAL A 58 2.856 9.448 -9.126 1.00 62.23 H new ATOM 0 HG11 VAL A 58 4.765 7.896 -9.112 1.00 13.12 H new ATOM 0 HG12 VAL A 58 3.210 7.031 -9.092 1.00 13.12 H new ATOM 0 HG13 VAL A 58 4.152 7.134 -10.599 1.00 13.12 H new ATOM 0 HG21 VAL A 58 4.959 10.089 -10.235 1.00 1.41 H new ATOM 0 HG22 VAL A 58 4.352 9.416 -11.766 1.00 1.41 H new ATOM 0 HG23 VAL A 58 3.545 10.820 -11.029 1.00 1.41 H new ATOM 914 N GLY A 59 0.717 6.534 -10.605 1.00 53.13 N ATOM 915 CA GLY A 59 -0.127 5.572 -9.922 1.00 33.42 C ATOM 916 C GLY A 59 -1.438 5.334 -10.645 1.00 32.34 C ATOM 917 O GLY A 59 -2.004 4.243 -10.575 1.00 33.33 O ATOM 0 H GLY A 59 1.075 6.224 -11.509 1.00 53.13 H new ATOM 0 HA2 GLY A 59 0.408 4.627 -9.826 1.00 33.42 H new ATOM 0 HA3 GLY A 59 -0.332 5.926 -8.912 1.00 33.42 H new ATOM 921 N ASP A 60 -1.923 6.357 -11.339 1.00 60.03 N ATOM 922 CA ASP A 60 -3.176 6.255 -12.078 1.00 34.43 C ATOM 923 C ASP A 60 -3.106 5.138 -13.115 1.00 14.02 C ATOM 924 O ASP A 60 -2.055 4.531 -13.319 1.00 4.25 O ATOM 925 CB ASP A 60 -3.500 7.584 -12.762 1.00 20.40 C ATOM 926 CG ASP A 60 -4.126 8.586 -11.813 1.00 14.13 C ATOM 927 OD1 ASP A 60 -3.664 8.677 -10.656 1.00 71.35 O ATOM 928 OD2 ASP A 60 -5.080 9.279 -12.226 1.00 3.41 O ATOM 0 H ASP A 60 -1.467 7.267 -11.406 1.00 60.03 H new ATOM 0 HA ASP A 60 -3.969 6.018 -11.369 1.00 34.43 H new ATOM 0 HB2 ASP A 60 -2.586 8.006 -13.180 1.00 20.40 H new ATOM 0 HB3 ASP A 60 -4.179 7.404 -13.596 1.00 20.40 H new ATOM 933 N TYR A 61 -4.233 4.872 -13.766 1.00 62.44 N ATOM 934 CA TYR A 61 -4.300 3.826 -14.780 1.00 34.40 C ATOM 935 C TYR A 61 -5.036 4.318 -16.023 1.00 32.34 C ATOM 936 O TYR A 61 -6.032 5.036 -15.925 1.00 41.34 O ATOM 937 CB TYR A 61 -4.998 2.586 -14.218 1.00 13.02 C ATOM 938 CG TYR A 61 -4.493 2.172 -12.854 1.00 44.43 C ATOM 939 CD1 TYR A 61 -5.000 2.753 -11.698 1.00 42.12 C ATOM 940 CD2 TYR A 61 -3.507 1.202 -12.722 1.00 12.12 C ATOM 941 CE1 TYR A 61 -4.540 2.379 -10.450 1.00 74.02 C ATOM 942 CE2 TYR A 61 -3.043 0.821 -11.478 1.00 21.31 C ATOM 943 CZ TYR A 61 -3.562 1.412 -10.345 1.00 53.12 C ATOM 944 OH TYR A 61 -3.101 1.036 -9.104 1.00 74.04 O ATOM 0 H TYR A 61 -5.112 5.366 -13.610 1.00 62.44 H new ATOM 0 HA TYR A 61 -3.281 3.564 -15.063 1.00 34.40 H new ATOM 0 HB2 TYR A 61 -6.069 2.779 -14.156 1.00 13.02 H new ATOM 0 HB3 TYR A 61 -4.863 1.757 -14.913 1.00 13.02 H new ATOM 0 HD1 TYR A 61 -5.767 3.510 -11.776 1.00 42.12 H new ATOM 0 HD2 TYR A 61 -3.097 0.738 -13.607 1.00 12.12 H new ATOM 0 HE1 TYR A 61 -4.944 2.841 -9.561 1.00 74.02 H new ATOM 0 HE2 TYR A 61 -2.277 0.064 -11.393 1.00 21.31 H new ATOM 0 HH TYR A 61 -2.415 0.344 -9.206 1.00 74.04 H new ATOM 954 N LEU A 62 -4.539 3.925 -17.190 1.00 52.33 N ATOM 955 CA LEU A 62 -5.148 4.325 -18.454 1.00 74.22 C ATOM 956 C LEU A 62 -5.024 3.215 -19.493 1.00 40.34 C ATOM 957 O LEU A 62 -4.122 2.382 -19.422 1.00 22.13 O ATOM 958 CB LEU A 62 -4.493 5.605 -18.977 1.00 33.52 C ATOM 959 CG LEU A 62 -5.069 6.918 -18.446 1.00 43.12 C ATOM 960 CD1 LEU A 62 -4.292 8.103 -18.998 1.00 65.14 C ATOM 961 CD2 LEU A 62 -6.544 7.035 -18.799 1.00 34.13 C ATOM 0 H LEU A 62 -3.716 3.330 -17.288 1.00 52.33 H new ATOM 0 HA LEU A 62 -6.207 4.514 -18.275 1.00 74.22 H new ATOM 0 HB2 LEU A 62 -3.431 5.572 -18.733 1.00 33.52 H new ATOM 0 HB3 LEU A 62 -4.570 5.611 -20.064 1.00 33.52 H new ATOM 0 HG LEU A 62 -4.975 6.921 -17.360 1.00 43.12 H new ATOM 0 HD11 LEU A 62 -4.716 9.029 -18.609 1.00 65.14 H new ATOM 0 HD12 LEU A 62 -3.248 8.027 -18.695 1.00 65.14 H new ATOM 0 HD13 LEU A 62 -4.354 8.104 -20.086 1.00 65.14 H new ATOM 0 HD21 LEU A 62 -6.937 7.976 -18.413 1.00 34.13 H new ATOM 0 HD22 LEU A 62 -6.662 7.010 -19.882 1.00 34.13 H new ATOM 0 HD23 LEU A 62 -7.091 6.204 -18.355 1.00 34.13 H new ATOM 973 N GLY A 63 -5.936 3.213 -20.461 1.00 61.41 N ATOM 974 CA GLY A 63 -5.909 2.202 -21.503 1.00 12.43 C ATOM 975 C GLY A 63 -6.482 0.878 -21.040 1.00 75.53 C ATOM 976 O GLY A 63 -6.585 0.623 -19.840 1.00 60.02 O ATOM 0 H GLY A 63 -6.692 3.893 -20.542 1.00 61.41 H new ATOM 0 HA2 GLY A 63 -6.474 2.558 -22.365 1.00 12.43 H new ATOM 0 HA3 GLY A 63 -4.881 2.054 -21.835 1.00 12.43 H new ATOM 980 N ARG A 64 -6.859 0.032 -21.994 1.00 44.12 N ATOM 981 CA ARG A 64 -7.428 -1.272 -21.678 1.00 65.51 C ATOM 982 C ARG A 64 -6.355 -2.219 -21.146 1.00 51.22 C ATOM 983 O ARG A 64 -6.661 -3.300 -20.644 1.00 42.53 O ATOM 984 CB ARG A 64 -8.088 -1.878 -22.918 1.00 32.43 C ATOM 985 CG ARG A 64 -9.578 -1.593 -23.015 1.00 30.34 C ATOM 986 CD ARG A 64 -10.177 -2.185 -24.281 1.00 11.20 C ATOM 987 NE ARG A 64 -11.574 -2.570 -24.098 1.00 1.34 N ATOM 988 CZ ARG A 64 -11.962 -3.591 -23.342 1.00 64.44 C ATOM 989 NH1 ARG A 64 -11.062 -4.326 -22.703 1.00 71.41 N ATOM 990 NH2 ARG A 64 -13.252 -3.879 -23.225 1.00 24.30 N ATOM 0 H ARG A 64 -6.780 0.227 -22.992 1.00 44.12 H new ATOM 0 HA ARG A 64 -8.183 -1.133 -20.904 1.00 65.51 H new ATOM 0 HB2 ARG A 64 -7.594 -1.490 -23.809 1.00 32.43 H new ATOM 0 HB3 ARG A 64 -7.933 -2.957 -22.911 1.00 32.43 H new ATOM 0 HG2 ARG A 64 -10.086 -2.006 -22.143 1.00 30.34 H new ATOM 0 HG3 ARG A 64 -9.745 -0.516 -23.001 1.00 30.34 H new ATOM 0 HD2 ARG A 64 -10.104 -1.459 -25.090 1.00 11.20 H new ATOM 0 HD3 ARG A 64 -9.597 -3.057 -24.583 1.00 11.20 H new ATOM 0 HE ARG A 64 -12.291 -2.025 -24.577 1.00 1.34 H new ATOM 0 HH11 ARG A 64 -10.070 -4.108 -22.791 1.00 71.41 H new ATOM 0 HH12 ARG A 64 -11.362 -5.110 -22.123 1.00 71.41 H new ATOM 0 HH21 ARG A 64 -13.947 -3.316 -23.716 1.00 24.30 H new ATOM 0 HH22 ARG A 64 -13.549 -4.663 -22.644 1.00 24.30 H new ATOM 1004 N ASN A 65 -5.098 -1.804 -21.261 1.00 24.02 N ATOM 1005 CA ASN A 65 -3.980 -2.615 -20.793 1.00 24.15 C ATOM 1006 C ASN A 65 -3.600 -2.244 -19.362 1.00 72.31 C ATOM 1007 O ASN A 65 -2.508 -2.568 -18.895 1.00 10.11 O ATOM 1008 CB ASN A 65 -2.772 -2.437 -21.715 1.00 21.21 C ATOM 1009 CG ASN A 65 -3.096 -2.762 -23.160 1.00 43.45 C ATOM 1010 OD1 ASN A 65 -2.921 -1.928 -24.049 1.00 64.15 O ATOM 1011 ND2 ASN A 65 -3.571 -3.978 -23.402 1.00 0.14 N ATOM 0 H ASN A 65 -4.828 -0.911 -21.674 1.00 24.02 H new ATOM 0 HA ASN A 65 -4.290 -3.660 -20.809 1.00 24.15 H new ATOM 0 HB2 ASN A 65 -2.415 -1.409 -21.648 1.00 21.21 H new ATOM 0 HB3 ASN A 65 -1.960 -3.079 -21.374 1.00 21.21 H new ATOM 0 HD21 ASN A 65 -3.807 -4.253 -24.356 1.00 0.14 H new ATOM 0 HD22 ASN A 65 -3.700 -4.637 -22.634 1.00 0.14 H new ATOM 1018 N ASP A 66 -4.509 -1.565 -18.672 1.00 53.41 N ATOM 1019 CA ASP A 66 -4.271 -1.151 -17.294 1.00 54.11 C ATOM 1020 C ASP A 66 -2.937 -0.423 -17.168 1.00 24.21 C ATOM 1021 O ASP A 66 -2.174 -0.662 -16.233 1.00 24.31 O ATOM 1022 CB ASP A 66 -4.295 -2.365 -16.364 1.00 3.55 C ATOM 1023 CG ASP A 66 -5.704 -2.817 -16.037 1.00 54.12 C ATOM 1024 OD1 ASP A 66 -6.470 -3.101 -16.982 1.00 44.11 O ATOM 1025 OD2 ASP A 66 -6.043 -2.886 -14.837 1.00 1.01 O ATOM 0 H ASP A 66 -5.418 -1.289 -19.044 1.00 53.41 H new ATOM 0 HA ASP A 66 -5.067 -0.465 -17.003 1.00 54.11 H new ATOM 0 HB2 ASP A 66 -3.752 -3.187 -16.831 1.00 3.55 H new ATOM 0 HB3 ASP A 66 -3.771 -2.121 -15.440 1.00 3.55 H new ATOM 1030 N GLY A 67 -2.661 0.466 -18.117 1.00 41.12 N ATOM 1031 CA GLY A 67 -1.417 1.214 -18.094 1.00 55.15 C ATOM 1032 C GLY A 67 -1.249 2.019 -16.821 1.00 44.55 C ATOM 1033 O GLY A 67 -1.786 3.121 -16.698 1.00 65.52 O ATOM 0 H GLY A 67 -3.276 0.682 -18.901 1.00 41.12 H new ATOM 0 HA2 GLY A 67 -0.580 0.524 -18.197 1.00 55.15 H new ATOM 0 HA3 GLY A 67 -1.384 1.885 -18.952 1.00 55.15 H new ATOM 1037 N LYS A 68 -0.502 1.470 -15.870 1.00 65.42 N ATOM 1038 CA LYS A 68 -0.263 2.143 -14.599 1.00 62.01 C ATOM 1039 C LYS A 68 0.929 3.090 -14.700 1.00 73.23 C ATOM 1040 O LYS A 68 2.035 2.676 -15.047 1.00 3.41 O ATOM 1041 CB LYS A 68 -0.018 1.115 -13.492 1.00 14.11 C ATOM 1042 CG LYS A 68 0.236 1.737 -12.130 1.00 2.21 C ATOM 1043 CD LYS A 68 0.920 0.759 -11.189 1.00 50.22 C ATOM 1044 CE LYS A 68 2.362 0.505 -11.601 1.00 71.03 C ATOM 1045 NZ LYS A 68 3.075 -0.360 -10.621 1.00 35.31 N ATOM 0 H LYS A 68 -0.051 0.559 -15.955 1.00 65.42 H new ATOM 0 HA LYS A 68 -1.150 2.728 -14.354 1.00 62.01 H new ATOM 0 HB2 LYS A 68 -0.882 0.453 -13.425 1.00 14.11 H new ATOM 0 HB3 LYS A 68 0.837 0.496 -13.765 1.00 14.11 H new ATOM 0 HG2 LYS A 68 0.856 2.626 -12.245 1.00 2.21 H new ATOM 0 HG3 LYS A 68 -0.709 2.061 -11.695 1.00 2.21 H new ATOM 0 HD2 LYS A 68 0.895 1.152 -10.173 1.00 50.22 H new ATOM 0 HD3 LYS A 68 0.372 -0.183 -11.180 1.00 50.22 H new ATOM 0 HE2 LYS A 68 2.381 0.033 -12.583 1.00 71.03 H new ATOM 0 HE3 LYS A 68 2.886 1.456 -11.694 1.00 71.03 H new ATOM 0 HZ1 LYS A 68 4.054 -0.509 -10.938 1.00 35.31 H new ATOM 0 HZ2 LYS A 68 3.079 0.102 -9.689 1.00 35.31 H new ATOM 0 HZ3 LYS A 68 2.590 -1.277 -10.551 1.00 35.31 H new ATOM 1059 N VAL A 69 0.696 4.362 -14.394 1.00 55.22 N ATOM 1060 CA VAL A 69 1.750 5.367 -14.448 1.00 44.22 C ATOM 1061 C VAL A 69 2.798 5.123 -13.368 1.00 62.32 C ATOM 1062 O VAL A 69 2.475 5.027 -12.184 1.00 53.32 O ATOM 1063 CB VAL A 69 1.180 6.789 -14.283 1.00 25.43 C ATOM 1064 CG1 VAL A 69 2.294 7.822 -14.353 1.00 42.20 C ATOM 1065 CG2 VAL A 69 0.120 7.063 -15.338 1.00 33.00 C ATOM 0 H VAL A 69 -0.214 4.721 -14.106 1.00 55.22 H new ATOM 0 HA VAL A 69 2.217 5.283 -15.429 1.00 44.22 H new ATOM 0 HB VAL A 69 0.711 6.862 -13.302 1.00 25.43 H new ATOM 0 HG11 VAL A 69 1.873 8.820 -14.235 1.00 42.20 H new ATOM 0 HG12 VAL A 69 3.014 7.635 -13.556 1.00 42.20 H new ATOM 0 HG13 VAL A 69 2.795 7.752 -15.318 1.00 42.20 H new ATOM 0 HG21 VAL A 69 -0.272 8.072 -15.207 1.00 33.00 H new ATOM 0 HG22 VAL A 69 0.562 6.972 -16.330 1.00 33.00 H new ATOM 0 HG23 VAL A 69 -0.691 6.342 -15.235 1.00 33.00 H new ATOM 1075 N VAL A 70 4.057 5.023 -13.784 1.00 72.52 N ATOM 1076 CA VAL A 70 5.154 4.791 -12.852 1.00 71.33 C ATOM 1077 C VAL A 70 6.183 5.914 -12.924 1.00 75.41 C ATOM 1078 O VAL A 70 6.851 6.221 -11.938 1.00 51.43 O ATOM 1079 CB VAL A 70 5.855 3.448 -13.133 1.00 51.44 C ATOM 1080 CG1 VAL A 70 4.839 2.319 -13.200 1.00 34.43 C ATOM 1081 CG2 VAL A 70 6.661 3.528 -14.421 1.00 54.03 C ATOM 0 H VAL A 70 4.342 5.099 -14.760 1.00 72.52 H new ATOM 0 HA VAL A 70 4.720 4.763 -11.853 1.00 71.33 H new ATOM 0 HB VAL A 70 6.542 3.238 -12.313 1.00 51.44 H new ATOM 0 HG11 VAL A 70 5.353 1.379 -13.399 1.00 34.43 H new ATOM 0 HG12 VAL A 70 4.310 2.249 -12.250 1.00 34.43 H new ATOM 0 HG13 VAL A 70 4.125 2.519 -13.999 1.00 34.43 H new ATOM 0 HG21 VAL A 70 7.150 2.571 -14.604 1.00 54.03 H new ATOM 0 HG22 VAL A 70 5.996 3.761 -15.253 1.00 54.03 H new ATOM 0 HG23 VAL A 70 7.416 4.309 -14.330 1.00 54.03 H new ATOM 1091 N GLY A 71 6.304 6.523 -14.099 1.00 51.55 N ATOM 1092 CA GLY A 71 7.253 7.606 -14.279 1.00 2.53 C ATOM 1093 C GLY A 71 6.679 8.753 -15.087 1.00 12.12 C ATOM 1094 O GLY A 71 5.992 8.534 -16.085 1.00 42.53 O ATOM 0 H GLY A 71 5.762 6.286 -14.930 1.00 51.55 H new ATOM 0 HA2 GLY A 71 7.567 7.975 -13.303 1.00 2.53 H new ATOM 0 HA3 GLY A 71 8.144 7.225 -14.778 1.00 2.53 H new ATOM 1098 N ILE A 72 6.958 9.978 -14.654 1.00 62.03 N ATOM 1099 CA ILE A 72 6.464 11.163 -15.345 1.00 33.34 C ATOM 1100 C ILE A 72 7.593 12.151 -15.619 1.00 34.54 C ATOM 1101 O ILE A 72 8.098 12.801 -14.704 1.00 13.12 O ATOM 1102 CB ILE A 72 5.364 11.870 -14.531 1.00 52.12 C ATOM 1103 CG1 ILE A 72 4.161 10.943 -14.346 1.00 15.54 C ATOM 1104 CG2 ILE A 72 4.944 13.161 -15.219 1.00 22.15 C ATOM 1105 CD1 ILE A 72 3.097 11.510 -13.432 1.00 13.23 C ATOM 0 H ILE A 72 7.523 10.176 -13.828 1.00 62.03 H new ATOM 0 HA ILE A 72 6.044 10.824 -16.292 1.00 33.34 H new ATOM 0 HB ILE A 72 5.762 12.118 -13.547 1.00 52.12 H new ATOM 0 HG12 ILE A 72 3.719 10.736 -15.320 1.00 15.54 H new ATOM 0 HG13 ILE A 72 4.505 9.990 -13.943 1.00 15.54 H new ATOM 0 HG21 ILE A 72 4.166 13.650 -14.632 1.00 22.15 H new ATOM 0 HG22 ILE A 72 5.805 13.824 -15.304 1.00 22.15 H new ATOM 0 HG23 ILE A 72 4.560 12.935 -16.214 1.00 22.15 H new ATOM 0 HD11 ILE A 72 2.274 10.800 -13.347 1.00 13.23 H new ATOM 0 HD12 ILE A 72 3.524 11.691 -12.445 1.00 13.23 H new ATOM 0 HD13 ILE A 72 2.725 12.448 -13.844 1.00 13.23 H new ATOM 1117 N SER A 73 7.983 12.259 -16.885 1.00 34.33 N ATOM 1118 CA SER A 73 9.053 13.166 -17.280 1.00 5.22 C ATOM 1119 C SER A 73 8.485 14.456 -17.863 1.00 52.12 C ATOM 1120 O SER A 73 7.284 14.710 -17.781 1.00 33.05 O ATOM 1121 CB SER A 73 9.971 12.492 -18.302 1.00 30.13 C ATOM 1122 OG SER A 73 10.165 11.124 -17.988 1.00 25.21 O ATOM 0 H SER A 73 7.574 11.729 -17.655 1.00 34.33 H new ATOM 0 HA SER A 73 9.632 13.414 -16.390 1.00 5.22 H new ATOM 0 HB2 SER A 73 9.539 12.582 -19.299 1.00 30.13 H new ATOM 0 HB3 SER A 73 10.933 13.003 -18.324 1.00 30.13 H new ATOM 0 HG SER A 73 11.099 10.880 -18.154 1.00 25.21 H new ATOM 1128 N GLU A 74 9.358 15.267 -18.453 1.00 31.11 N ATOM 1129 CA GLU A 74 8.943 16.531 -19.049 1.00 41.14 C ATOM 1130 C GLU A 74 8.591 16.348 -20.523 1.00 64.00 C ATOM 1131 O GLU A 74 7.856 17.147 -21.101 1.00 32.01 O ATOM 1132 CB GLU A 74 10.051 17.577 -18.904 1.00 74.23 C ATOM 1133 CG GLU A 74 11.343 17.197 -19.608 1.00 75.30 C ATOM 1134 CD GLU A 74 12.359 18.322 -19.610 1.00 55.45 C ATOM 1135 OE1 GLU A 74 12.294 19.179 -20.517 1.00 31.22 O ATOM 1136 OE2 GLU A 74 13.218 18.347 -18.705 1.00 24.40 O ATOM 0 H GLU A 74 10.356 15.071 -18.531 1.00 31.11 H new ATOM 0 HA GLU A 74 8.055 16.878 -18.521 1.00 41.14 H new ATOM 0 HB2 GLU A 74 9.696 18.527 -19.302 1.00 74.23 H new ATOM 0 HB3 GLU A 74 10.256 17.732 -17.845 1.00 74.23 H new ATOM 0 HG2 GLU A 74 11.775 16.323 -19.120 1.00 75.30 H new ATOM 0 HG3 GLU A 74 11.121 16.911 -20.636 1.00 75.30 H new ATOM 1143 N GLY A 75 9.124 15.289 -21.125 1.00 71.14 N ATOM 1144 CA GLY A 75 8.856 15.020 -22.526 1.00 60.50 C ATOM 1145 C GLY A 75 8.516 13.565 -22.782 1.00 20.30 C ATOM 1146 O GLY A 75 8.576 13.096 -23.919 1.00 35.32 O ATOM 0 H GLY A 75 9.736 14.613 -20.668 1.00 71.14 H new ATOM 0 HA2 GLY A 75 8.030 15.647 -22.862 1.00 60.50 H new ATOM 0 HA3 GLY A 75 9.728 15.296 -23.119 1.00 60.50 H new ATOM 1150 N LYS A 76 8.160 12.847 -21.722 1.00 73.32 N ATOM 1151 CA LYS A 76 7.809 11.436 -21.836 1.00 1.01 C ATOM 1152 C LYS A 76 7.208 10.918 -20.533 1.00 42.00 C ATOM 1153 O LYS A 76 7.493 11.442 -19.456 1.00 4.12 O ATOM 1154 CB LYS A 76 9.044 10.610 -22.204 1.00 51.51 C ATOM 1155 CG LYS A 76 10.230 10.848 -21.286 1.00 45.31 C ATOM 1156 CD LYS A 76 11.454 10.073 -21.744 1.00 63.04 C ATOM 1157 CE LYS A 76 12.410 9.808 -20.591 1.00 71.53 C ATOM 1158 NZ LYS A 76 13.418 8.766 -20.935 1.00 12.44 N ATOM 0 H LYS A 76 8.107 13.219 -20.774 1.00 73.32 H new ATOM 0 HA LYS A 76 7.064 11.335 -22.625 1.00 1.01 H new ATOM 0 HB2 LYS A 76 8.783 9.552 -22.180 1.00 51.51 H new ATOM 0 HB3 LYS A 76 9.335 10.844 -23.228 1.00 51.51 H new ATOM 0 HG2 LYS A 76 10.462 11.913 -21.258 1.00 45.31 H new ATOM 0 HG3 LYS A 76 9.970 10.552 -20.270 1.00 45.31 H new ATOM 0 HD2 LYS A 76 11.142 9.126 -22.185 1.00 63.04 H new ATOM 0 HD3 LYS A 76 11.970 10.633 -22.524 1.00 63.04 H new ATOM 0 HE2 LYS A 76 12.921 10.733 -20.323 1.00 71.53 H new ATOM 0 HE3 LYS A 76 11.844 9.491 -19.715 1.00 71.53 H new ATOM 0 HZ1 LYS A 76 14.051 8.614 -20.124 1.00 12.44 H new ATOM 0 HZ2 LYS A 76 12.932 7.876 -21.167 1.00 12.44 H new ATOM 0 HZ3 LYS A 76 13.976 9.080 -21.755 1.00 12.44 H new ATOM 1172 N ILE A 77 6.377 9.887 -20.639 1.00 24.40 N ATOM 1173 CA ILE A 77 5.739 9.297 -19.469 1.00 3.04 C ATOM 1174 C ILE A 77 5.857 7.777 -19.486 1.00 33.33 C ATOM 1175 O ILE A 77 5.375 7.117 -20.407 1.00 43.10 O ATOM 1176 CB ILE A 77 4.251 9.685 -19.383 1.00 62.24 C ATOM 1177 CG1 ILE A 77 4.075 11.181 -19.652 1.00 24.13 C ATOM 1178 CG2 ILE A 77 3.685 9.315 -18.021 1.00 13.34 C ATOM 1179 CD1 ILE A 77 4.779 12.062 -18.644 1.00 2.33 C ATOM 0 H ILE A 77 6.130 9.443 -21.523 1.00 24.40 H new ATOM 0 HA ILE A 77 6.259 9.689 -18.595 1.00 3.04 H new ATOM 0 HB ILE A 77 3.702 9.132 -20.145 1.00 62.24 H new ATOM 0 HG12 ILE A 77 4.452 11.410 -20.649 1.00 24.13 H new ATOM 0 HG13 ILE A 77 3.011 11.420 -19.651 1.00 24.13 H new ATOM 0 HG21 ILE A 77 2.633 9.596 -17.976 1.00 13.34 H new ATOM 0 HG22 ILE A 77 3.781 8.240 -17.867 1.00 13.34 H new ATOM 0 HG23 ILE A 77 4.235 9.844 -17.243 1.00 13.34 H new ATOM 0 HD11 ILE A 77 4.612 13.109 -18.896 1.00 2.33 H new ATOM 0 HD12 ILE A 77 4.385 11.861 -17.648 1.00 2.33 H new ATOM 0 HD13 ILE A 77 5.848 11.851 -18.661 1.00 2.33 H new ATOM 1191 N ASP A 78 6.498 7.227 -18.460 1.00 70.05 N ATOM 1192 CA ASP A 78 6.676 5.783 -18.356 1.00 4.45 C ATOM 1193 C ASP A 78 5.518 5.147 -17.595 1.00 33.44 C ATOM 1194 O ASP A 78 5.189 5.561 -16.483 1.00 20.22 O ATOM 1195 CB ASP A 78 7.999 5.461 -17.659 1.00 21.14 C ATOM 1196 CG ASP A 78 9.194 5.632 -18.576 1.00 52.41 C ATOM 1197 OD1 ASP A 78 9.499 6.786 -18.943 1.00 10.45 O ATOM 1198 OD2 ASP A 78 9.823 4.613 -18.928 1.00 61.44 O ATOM 0 H ASP A 78 6.903 7.759 -17.689 1.00 70.05 H new ATOM 0 HA ASP A 78 6.695 5.369 -19.364 1.00 4.45 H new ATOM 0 HB2 ASP A 78 8.116 6.109 -16.790 1.00 21.14 H new ATOM 0 HB3 ASP A 78 7.972 4.436 -17.290 1.00 21.14 H new ATOM 1203 N VAL A 79 4.901 4.137 -18.202 1.00 2.44 N ATOM 1204 CA VAL A 79 3.779 3.443 -17.582 1.00 10.14 C ATOM 1205 C VAL A 79 3.841 1.945 -17.855 1.00 22.51 C ATOM 1206 O VAL A 79 4.350 1.513 -18.890 1.00 21.23 O ATOM 1207 CB VAL A 79 2.431 3.991 -18.088 1.00 23.41 C ATOM 1208 CG1 VAL A 79 2.402 5.508 -17.993 1.00 12.42 C ATOM 1209 CG2 VAL A 79 2.173 3.532 -19.515 1.00 50.53 C ATOM 0 H VAL A 79 5.160 3.782 -19.122 1.00 2.44 H new ATOM 0 HA VAL A 79 3.853 3.617 -16.509 1.00 10.14 H new ATOM 0 HB VAL A 79 1.636 3.597 -17.454 1.00 23.41 H new ATOM 0 HG11 VAL A 79 1.442 5.877 -18.355 1.00 12.42 H new ATOM 0 HG12 VAL A 79 2.539 5.810 -16.955 1.00 12.42 H new ATOM 0 HG13 VAL A 79 3.204 5.926 -18.601 1.00 12.42 H new ATOM 0 HG21 VAL A 79 1.217 3.928 -19.857 1.00 50.53 H new ATOM 0 HG22 VAL A 79 2.970 3.896 -20.164 1.00 50.53 H new ATOM 0 HG23 VAL A 79 2.148 2.443 -19.548 1.00 50.53 H new ATOM 1219 N ILE A 80 3.320 1.156 -16.921 1.00 11.31 N ATOM 1220 CA ILE A 80 3.315 -0.294 -17.062 1.00 73.51 C ATOM 1221 C ILE A 80 1.978 -0.789 -17.605 1.00 65.22 C ATOM 1222 O ILE A 80 0.941 -0.634 -16.962 1.00 52.25 O ATOM 1223 CB ILE A 80 3.600 -0.992 -15.719 1.00 0.21 C ATOM 1224 CG1 ILE A 80 5.108 -1.107 -15.490 1.00 24.35 C ATOM 1225 CG2 ILE A 80 2.947 -2.366 -15.686 1.00 40.51 C ATOM 1226 CD1 ILE A 80 5.780 -2.123 -16.387 1.00 41.45 C ATOM 0 H ILE A 80 2.896 1.497 -16.058 1.00 11.31 H new ATOM 0 HA ILE A 80 4.107 -0.545 -17.768 1.00 73.51 H new ATOM 0 HB ILE A 80 3.174 -0.390 -14.916 1.00 0.21 H new ATOM 0 HG12 ILE A 80 5.567 -0.132 -15.652 1.00 24.35 H new ATOM 0 HG13 ILE A 80 5.290 -1.376 -14.450 1.00 24.35 H new ATOM 0 HG21 ILE A 80 3.158 -2.846 -14.730 1.00 40.51 H new ATOM 0 HG22 ILE A 80 1.869 -2.260 -15.809 1.00 40.51 H new ATOM 0 HG23 ILE A 80 3.346 -2.978 -16.495 1.00 40.51 H new ATOM 0 HD11 ILE A 80 6.848 -2.151 -16.169 1.00 41.45 H new ATOM 0 HD12 ILE A 80 5.348 -3.108 -16.209 1.00 41.45 H new ATOM 0 HD13 ILE A 80 5.629 -1.844 -17.430 1.00 41.45 H new ATOM 1238 N GLU A 81 2.013 -1.387 -18.792 1.00 61.11 N ATOM 1239 CA GLU A 81 0.804 -1.906 -19.421 1.00 10.21 C ATOM 1240 C GLU A 81 0.847 -3.429 -19.509 1.00 41.43 C ATOM 1241 O GLU A 81 1.917 -4.034 -19.445 1.00 22.44 O ATOM 1242 CB GLU A 81 0.632 -1.307 -20.819 1.00 25.53 C ATOM 1243 CG GLU A 81 0.788 0.204 -20.857 1.00 73.53 C ATOM 1244 CD GLU A 81 0.026 0.839 -22.004 1.00 11.20 C ATOM 1245 OE1 GLU A 81 -1.207 0.994 -21.882 1.00 54.13 O ATOM 1246 OE2 GLU A 81 0.662 1.181 -23.022 1.00 42.24 O ATOM 0 H GLU A 81 2.864 -1.524 -19.337 1.00 61.11 H new ATOM 0 HA GLU A 81 -0.048 -1.619 -18.804 1.00 10.21 H new ATOM 0 HB2 GLU A 81 1.364 -1.756 -21.490 1.00 25.53 H new ATOM 0 HB3 GLU A 81 -0.354 -1.572 -21.200 1.00 25.53 H new ATOM 0 HG2 GLU A 81 0.438 0.626 -19.915 1.00 73.53 H new ATOM 0 HG3 GLU A 81 1.845 0.455 -20.945 1.00 73.53 H new ATOM 1253 N ILE A 82 -0.323 -4.040 -19.657 1.00 33.13 N ATOM 1254 CA ILE A 82 -0.420 -5.491 -19.754 1.00 64.24 C ATOM 1255 C ILE A 82 -0.623 -5.933 -21.200 1.00 15.43 C ATOM 1256 O ILE A 82 -1.434 -5.358 -21.927 1.00 64.13 O ATOM 1257 CB ILE A 82 -1.574 -6.038 -18.895 1.00 15.03 C ATOM 1258 CG1 ILE A 82 -1.194 -6.010 -17.413 1.00 2.00 C ATOM 1259 CG2 ILE A 82 -1.934 -7.451 -19.328 1.00 74.21 C ATOM 1260 CD1 ILE A 82 -1.090 -4.613 -16.842 1.00 63.01 C ATOM 0 H ILE A 82 -1.217 -3.553 -19.712 1.00 33.13 H new ATOM 0 HA ILE A 82 0.521 -5.895 -19.381 1.00 64.24 H new ATOM 0 HB ILE A 82 -2.447 -5.401 -19.039 1.00 15.03 H new ATOM 0 HG12 ILE A 82 -1.936 -6.571 -16.845 1.00 2.00 H new ATOM 0 HG13 ILE A 82 -0.239 -6.520 -17.281 1.00 2.00 H new ATOM 0 HG21 ILE A 82 -2.752 -7.823 -18.711 1.00 74.21 H new ATOM 0 HG22 ILE A 82 -2.243 -7.444 -20.373 1.00 74.21 H new ATOM 0 HG23 ILE A 82 -1.066 -8.100 -19.210 1.00 74.21 H new ATOM 0 HD11 ILE A 82 -0.817 -4.670 -15.788 1.00 63.01 H new ATOM 0 HD12 ILE A 82 -0.327 -4.054 -17.384 1.00 63.01 H new ATOM 0 HD13 ILE A 82 -2.050 -4.107 -16.942 1.00 63.01 H new ATOM 1272 N VAL A 83 0.116 -6.958 -21.609 1.00 60.35 N ATOM 1273 CA VAL A 83 0.015 -7.480 -22.967 1.00 53.33 C ATOM 1274 C VAL A 83 0.120 -9.001 -22.981 1.00 51.43 C ATOM 1275 O VAL A 83 0.718 -9.614 -22.097 1.00 61.44 O ATOM 1276 CB VAL A 83 1.110 -6.892 -23.877 1.00 55.14 C ATOM 1277 CG1 VAL A 83 0.852 -5.416 -24.138 1.00 11.42 C ATOM 1278 CG2 VAL A 83 2.484 -7.101 -23.260 1.00 10.11 C ATOM 0 H VAL A 83 0.792 -7.444 -21.020 1.00 60.35 H new ATOM 0 HA VAL A 83 -0.962 -7.183 -23.348 1.00 53.33 H new ATOM 0 HB VAL A 83 1.083 -7.415 -24.833 1.00 55.14 H new ATOM 0 HG11 VAL A 83 1.636 -5.018 -24.783 1.00 11.42 H new ATOM 0 HG12 VAL A 83 -0.115 -5.296 -24.626 1.00 11.42 H new ATOM 0 HG13 VAL A 83 0.850 -4.874 -23.192 1.00 11.42 H new ATOM 0 HG21 VAL A 83 3.245 -6.680 -23.916 1.00 10.11 H new ATOM 0 HG22 VAL A 83 2.526 -6.606 -22.290 1.00 10.11 H new ATOM 0 HG23 VAL A 83 2.666 -8.168 -23.131 1.00 10.11 H new ATOM 1288 N PRO A 84 -0.474 -9.625 -24.009 1.00 34.34 N ATOM 1289 CA PRO A 84 -0.461 -11.083 -24.164 1.00 4.04 C ATOM 1290 C PRO A 84 0.925 -11.616 -24.514 1.00 14.43 C ATOM 1291 O PRO A 84 1.730 -10.919 -25.131 1.00 5.45 O ATOM 1292 CB PRO A 84 -1.435 -11.326 -25.319 1.00 43.02 C ATOM 1293 CG PRO A 84 -1.420 -10.057 -26.100 1.00 71.41 C ATOM 1294 CD PRO A 84 -1.205 -8.957 -25.098 1.00 52.23 C ATOM 0 HA PRO A 84 -0.737 -11.594 -23.241 1.00 4.04 H new ATOM 0 HB2 PRO A 84 -1.120 -12.171 -25.931 1.00 43.02 H new ATOM 0 HB3 PRO A 84 -2.436 -11.553 -24.952 1.00 43.02 H new ATOM 0 HG2 PRO A 84 -0.625 -10.067 -26.845 1.00 71.41 H new ATOM 0 HG3 PRO A 84 -2.358 -9.918 -26.637 1.00 71.41 H new ATOM 0 HD2 PRO A 84 -0.630 -8.134 -25.522 1.00 52.23 H new ATOM 0 HD3 PRO A 84 -2.150 -8.540 -24.751 1.00 52.23 H new ATOM 1302 N ASP A 85 1.195 -12.854 -24.117 1.00 34.32 N ATOM 1303 CA ASP A 85 2.483 -13.481 -24.390 1.00 73.13 C ATOM 1304 C ASP A 85 2.457 -14.215 -25.728 1.00 10.34 C ATOM 1305 O ASP A 85 3.312 -13.995 -26.584 1.00 51.34 O ATOM 1306 CB ASP A 85 2.849 -14.453 -23.268 1.00 62.40 C ATOM 1307 CG ASP A 85 4.333 -14.762 -23.231 1.00 60.33 C ATOM 1308 OD1 ASP A 85 5.139 -13.815 -23.345 1.00 73.34 O ATOM 1309 OD2 ASP A 85 4.689 -15.951 -23.089 1.00 74.23 O ATOM 0 H ASP A 85 0.539 -13.444 -23.605 1.00 34.32 H new ATOM 0 HA ASP A 85 3.238 -12.696 -24.441 1.00 73.13 H new ATOM 0 HB2 ASP A 85 2.545 -14.029 -22.311 1.00 62.40 H new ATOM 0 HB3 ASP A 85 2.291 -15.380 -23.398 1.00 62.40 H new ATOM 1314 N GLY A 86 1.470 -15.089 -25.898 1.00 71.15 N ATOM 1315 CA GLY A 86 1.352 -15.843 -27.133 1.00 1.10 C ATOM 1316 C GLY A 86 0.613 -17.153 -26.944 1.00 64.01 C ATOM 1317 O GLY A 86 0.123 -17.740 -27.908 1.00 23.52 O ATOM 0 H GLY A 86 0.750 -15.289 -25.203 1.00 71.15 H new ATOM 0 HA2 GLY A 86 0.830 -15.239 -27.875 1.00 1.10 H new ATOM 0 HA3 GLY A 86 2.347 -16.045 -27.528 1.00 1.10 H new ATOM 1321 N GLU A 87 0.535 -17.612 -25.699 1.00 61.40 N ATOM 1322 CA GLU A 87 -0.147 -18.863 -25.389 1.00 31.25 C ATOM 1323 C GLU A 87 -1.500 -18.597 -24.735 1.00 72.30 C ATOM 1324 O GLU A 87 -2.417 -19.413 -24.826 1.00 41.44 O ATOM 1325 CB GLU A 87 0.717 -19.726 -24.466 1.00 14.53 C ATOM 1326 CG GLU A 87 2.185 -19.751 -24.855 1.00 2.13 C ATOM 1327 CD GLU A 87 2.422 -20.422 -26.194 1.00 25.24 C ATOM 1328 OE1 GLU A 87 1.461 -20.991 -26.752 1.00 0.15 O ATOM 1329 OE2 GLU A 87 3.571 -20.378 -26.683 1.00 74.24 O ATOM 0 H GLU A 87 0.935 -17.137 -24.890 1.00 61.40 H new ATOM 0 HA GLU A 87 -0.313 -19.398 -26.324 1.00 31.25 H new ATOM 0 HB2 GLU A 87 0.627 -19.355 -23.445 1.00 14.53 H new ATOM 0 HB3 GLU A 87 0.331 -20.746 -24.470 1.00 14.53 H new ATOM 0 HG2 GLU A 87 2.565 -18.730 -24.892 1.00 2.13 H new ATOM 0 HG3 GLU A 87 2.752 -20.274 -24.085 1.00 2.13 H new ATOM 1336 N GLY A 88 -1.617 -17.449 -24.074 1.00 65.24 N ATOM 1337 CA GLY A 88 -2.860 -17.096 -23.414 1.00 43.24 C ATOM 1338 C GLY A 88 -2.635 -16.318 -22.133 1.00 31.33 C ATOM 1339 O GLY A 88 -3.567 -15.735 -21.581 1.00 53.04 O ATOM 0 H GLY A 88 -0.873 -16.757 -23.984 1.00 65.24 H new ATOM 0 HA2 GLY A 88 -3.473 -16.503 -24.093 1.00 43.24 H new ATOM 0 HA3 GLY A 88 -3.420 -18.004 -23.190 1.00 43.24 H new ATOM 1343 N ASN A 89 -1.394 -16.311 -21.656 1.00 73.43 N ATOM 1344 CA ASN A 89 -1.050 -15.602 -20.430 1.00 15.54 C ATOM 1345 C ASN A 89 -0.625 -14.168 -20.732 1.00 2.12 C ATOM 1346 O ASN A 89 -0.149 -13.869 -21.827 1.00 25.01 O ATOM 1347 CB ASN A 89 0.071 -16.333 -19.690 1.00 21.24 C ATOM 1348 CG ASN A 89 -0.031 -17.840 -19.830 1.00 3.24 C ATOM 1349 OD1 ASN A 89 -0.684 -18.506 -19.027 1.00 22.34 O ATOM 1350 ND2 ASN A 89 0.617 -18.384 -20.853 1.00 41.23 N ATOM 0 H ASN A 89 -0.610 -16.789 -22.101 1.00 73.43 H new ATOM 0 HA ASN A 89 -1.936 -15.574 -19.796 1.00 15.54 H new ATOM 0 HB2 ASN A 89 1.035 -15.999 -20.075 1.00 21.24 H new ATOM 0 HB3 ASN A 89 0.040 -16.066 -18.634 1.00 21.24 H new ATOM 0 HD21 ASN A 89 0.586 -19.393 -20.998 1.00 41.23 H new ATOM 0 HD22 ASN A 89 1.146 -17.793 -21.494 1.00 41.23 H new ATOM 1357 N TRP A 90 -0.799 -13.287 -19.754 1.00 14.51 N ATOM 1358 CA TRP A 90 -0.433 -11.884 -19.915 1.00 22.01 C ATOM 1359 C TRP A 90 0.875 -11.577 -19.193 1.00 15.21 C ATOM 1360 O TRP A 90 1.269 -12.292 -18.271 1.00 21.10 O ATOM 1361 CB TRP A 90 -1.547 -10.980 -19.385 1.00 31.21 C ATOM 1362 CG TRP A 90 -2.879 -11.244 -20.020 1.00 64.03 C ATOM 1363 CD1 TRP A 90 -3.767 -12.225 -19.684 1.00 14.23 C ATOM 1364 CD2 TRP A 90 -3.470 -10.518 -21.103 1.00 53.11 C ATOM 1365 NE1 TRP A 90 -4.876 -12.152 -20.492 1.00 71.12 N ATOM 1366 CE2 TRP A 90 -4.719 -11.113 -21.371 1.00 1.13 C ATOM 1367 CE3 TRP A 90 -3.068 -9.422 -21.871 1.00 72.03 C ATOM 1368 CZ2 TRP A 90 -5.565 -10.648 -22.374 1.00 61.10 C ATOM 1369 CZ3 TRP A 90 -3.909 -8.962 -22.867 1.00 21.11 C ATOM 1370 CH2 TRP A 90 -5.146 -9.574 -23.111 1.00 2.33 C ATOM 0 H TRP A 90 -1.191 -13.519 -18.841 1.00 14.51 H new ATOM 0 HA TRP A 90 -0.294 -11.690 -20.979 1.00 22.01 H new ATOM 0 HB2 TRP A 90 -1.633 -11.116 -18.307 1.00 31.21 H new ATOM 0 HB3 TRP A 90 -1.272 -9.939 -19.554 1.00 31.21 H new ATOM 0 HD1 TRP A 90 -3.620 -12.952 -18.899 1.00 14.23 H new ATOM 0 HE1 TRP A 90 -5.685 -12.771 -20.445 1.00 71.12 H new ATOM 0 HE3 TRP A 90 -2.117 -8.943 -21.690 1.00 72.03 H new ATOM 0 HZ2 TRP A 90 -6.518 -11.118 -22.564 1.00 61.10 H new ATOM 0 HZ3 TRP A 90 -3.608 -8.116 -23.467 1.00 21.11 H new ATOM 0 HH2 TRP A 90 -5.781 -9.190 -23.896 1.00 2.33 H new ATOM 1381 N LEU A 91 1.543 -10.510 -19.617 1.00 14.34 N ATOM 1382 CA LEU A 91 2.807 -10.108 -19.009 1.00 53.54 C ATOM 1383 C LEU A 91 2.915 -8.588 -18.934 1.00 3.04 C ATOM 1384 O LEU A 91 2.168 -7.869 -19.597 1.00 24.52 O ATOM 1385 CB LEU A 91 3.982 -10.675 -19.807 1.00 72.24 C ATOM 1386 CG LEU A 91 4.822 -11.738 -19.100 1.00 24.53 C ATOM 1387 CD1 LEU A 91 5.330 -11.216 -17.764 1.00 73.44 C ATOM 1388 CD2 LEU A 91 4.015 -13.013 -18.904 1.00 61.50 C ATOM 0 H LEU A 91 1.231 -9.908 -20.379 1.00 14.34 H new ATOM 0 HA LEU A 91 2.838 -10.507 -17.995 1.00 53.54 H new ATOM 0 HB2 LEU A 91 3.595 -11.103 -20.732 1.00 72.24 H new ATOM 0 HB3 LEU A 91 4.637 -9.850 -20.087 1.00 72.24 H new ATOM 0 HG LEU A 91 5.683 -11.969 -19.728 1.00 24.53 H new ATOM 0 HD11 LEU A 91 5.926 -11.987 -17.275 1.00 73.44 H new ATOM 0 HD12 LEU A 91 5.945 -10.332 -17.929 1.00 73.44 H new ATOM 0 HD13 LEU A 91 4.483 -10.955 -17.129 1.00 73.44 H new ATOM 0 HD21 LEU A 91 4.629 -13.758 -18.399 1.00 61.50 H new ATOM 0 HD22 LEU A 91 3.135 -12.797 -18.298 1.00 61.50 H new ATOM 0 HD23 LEU A 91 3.702 -13.398 -19.874 1.00 61.50 H new ATOM 1400 N GLU A 92 3.852 -8.106 -18.122 1.00 70.44 N ATOM 1401 CA GLU A 92 4.059 -6.672 -17.962 1.00 13.11 C ATOM 1402 C GLU A 92 4.766 -6.085 -19.180 1.00 4.43 C ATOM 1403 O GLU A 92 5.544 -6.766 -19.847 1.00 64.33 O ATOM 1404 CB GLU A 92 4.875 -6.390 -16.699 1.00 11.12 C ATOM 1405 CG GLU A 92 6.189 -7.151 -16.641 1.00 12.14 C ATOM 1406 CD GLU A 92 7.210 -6.483 -15.741 1.00 4.11 C ATOM 1407 OE1 GLU A 92 7.089 -6.614 -14.505 1.00 65.11 O ATOM 1408 OE2 GLU A 92 8.132 -5.829 -16.274 1.00 15.13 O ATOM 0 H GLU A 92 4.479 -8.688 -17.566 1.00 70.44 H new ATOM 0 HA GLU A 92 3.082 -6.198 -17.868 1.00 13.11 H new ATOM 0 HB2 GLU A 92 5.081 -5.321 -16.641 1.00 11.12 H new ATOM 0 HB3 GLU A 92 4.277 -6.648 -15.825 1.00 11.12 H new ATOM 0 HG2 GLU A 92 6.003 -8.164 -16.284 1.00 12.14 H new ATOM 0 HG3 GLU A 92 6.599 -7.238 -17.647 1.00 12.14 H new ATOM 1415 N ARG A 93 4.490 -4.816 -19.462 1.00 41.25 N ATOM 1416 CA ARG A 93 5.098 -4.137 -20.600 1.00 42.33 C ATOM 1417 C ARG A 93 5.263 -2.646 -20.319 1.00 52.02 C ATOM 1418 O ARG A 93 4.368 -1.839 -20.572 1.00 32.13 O ATOM 1419 CB ARG A 93 4.248 -4.339 -21.856 1.00 1.00 C ATOM 1420 CG ARG A 93 5.057 -4.354 -23.143 1.00 33.21 C ATOM 1421 CD ARG A 93 5.919 -5.603 -23.244 1.00 41.42 C ATOM 1422 NE ARG A 93 6.297 -5.896 -24.624 1.00 72.40 N ATOM 1423 CZ ARG A 93 7.067 -6.921 -24.973 1.00 3.41 C ATOM 1424 NH1 ARG A 93 7.539 -7.745 -24.048 1.00 1.13 N ATOM 1425 NH2 ARG A 93 7.367 -7.122 -26.250 1.00 20.43 N ATOM 0 H ARG A 93 3.850 -4.237 -18.918 1.00 41.25 H new ATOM 0 HA ARG A 93 6.085 -4.570 -20.764 1.00 42.33 H new ATOM 0 HB2 ARG A 93 3.703 -5.279 -21.768 1.00 1.00 H new ATOM 0 HB3 ARG A 93 3.505 -3.544 -21.913 1.00 1.00 H new ATOM 0 HG2 ARG A 93 4.383 -4.305 -23.998 1.00 33.21 H new ATOM 0 HG3 ARG A 93 5.691 -3.468 -23.186 1.00 33.21 H new ATOM 0 HD2 ARG A 93 6.818 -5.473 -22.642 1.00 41.42 H new ATOM 0 HD3 ARG A 93 5.377 -6.452 -22.828 1.00 41.42 H new ATOM 0 HE ARG A 93 5.951 -5.280 -25.360 1.00 72.40 H new ATOM 0 HH11 ARG A 93 7.311 -7.593 -23.065 1.00 1.13 H new ATOM 0 HH12 ARG A 93 8.130 -8.531 -24.319 1.00 1.13 H new ATOM 0 HH21 ARG A 93 7.006 -6.489 -26.964 1.00 20.43 H new ATOM 0 HH22 ARG A 93 7.958 -7.909 -26.517 1.00 20.43 H new ATOM 1439 N PRO A 94 6.434 -2.270 -19.783 1.00 74.43 N ATOM 1440 CA PRO A 94 6.743 -0.875 -19.456 1.00 62.42 C ATOM 1441 C PRO A 94 6.925 -0.015 -20.702 1.00 2.44 C ATOM 1442 O PRO A 94 8.004 0.016 -21.294 1.00 0.41 O ATOM 1443 CB PRO A 94 8.058 -0.977 -18.679 1.00 42.43 C ATOM 1444 CG PRO A 94 8.683 -2.242 -19.156 1.00 23.21 C ATOM 1445 CD PRO A 94 7.546 -3.179 -19.456 1.00 14.50 C ATOM 0 HA PRO A 94 5.938 -0.398 -18.897 1.00 62.42 H new ATOM 0 HB2 PRO A 94 8.701 -0.119 -18.875 1.00 42.43 H new ATOM 0 HB3 PRO A 94 7.881 -1.004 -17.604 1.00 42.43 H new ATOM 0 HG2 PRO A 94 9.289 -2.067 -20.045 1.00 23.21 H new ATOM 0 HG3 PRO A 94 9.344 -2.661 -18.397 1.00 23.21 H new ATOM 0 HD2 PRO A 94 7.781 -3.843 -20.288 1.00 14.50 H new ATOM 0 HD3 PRO A 94 7.310 -3.812 -18.600 1.00 14.50 H new ATOM 1453 N ARG A 95 5.864 0.683 -21.093 1.00 42.23 N ATOM 1454 CA ARG A 95 5.907 1.544 -22.269 1.00 44.11 C ATOM 1455 C ARG A 95 6.074 3.006 -21.866 1.00 45.45 C ATOM 1456 O ARG A 95 5.651 3.415 -20.786 1.00 13.34 O ATOM 1457 CB ARG A 95 4.633 1.375 -23.099 1.00 22.34 C ATOM 1458 CG ARG A 95 4.896 1.114 -24.573 1.00 23.53 C ATOM 1459 CD ARG A 95 3.654 1.364 -25.413 1.00 41.12 C ATOM 1460 NE ARG A 95 3.943 1.320 -26.844 1.00 62.40 N ATOM 1461 CZ ARG A 95 4.469 2.335 -27.519 1.00 41.45 C ATOM 1462 NH1 ARG A 95 4.762 3.469 -26.897 1.00 62.20 N ATOM 1463 NH2 ARG A 95 4.703 2.218 -28.820 1.00 43.43 N ATOM 0 H ARG A 95 4.964 0.669 -20.613 1.00 42.23 H new ATOM 0 HA ARG A 95 6.766 1.250 -22.872 1.00 44.11 H new ATOM 0 HB2 ARG A 95 4.051 0.549 -22.691 1.00 22.34 H new ATOM 0 HB3 ARG A 95 4.024 2.274 -23.001 1.00 22.34 H new ATOM 0 HG2 ARG A 95 5.706 1.757 -24.919 1.00 23.53 H new ATOM 0 HG3 ARG A 95 5.227 0.084 -24.708 1.00 23.53 H new ATOM 0 HD2 ARG A 95 2.898 0.617 -25.173 1.00 41.12 H new ATOM 0 HD3 ARG A 95 3.234 2.337 -25.158 1.00 41.12 H new ATOM 0 HE ARG A 95 3.729 0.462 -27.353 1.00 62.40 H new ATOM 0 HH11 ARG A 95 4.583 3.563 -25.897 1.00 62.20 H new ATOM 0 HH12 ARG A 95 5.166 4.247 -27.418 1.00 62.20 H new ATOM 0 HH21 ARG A 95 4.479 1.348 -29.302 1.00 43.43 H new ATOM 0 HH22 ARG A 95 5.107 2.998 -29.338 1.00 43.43 H new ATOM 1477 N SER A 96 6.695 3.789 -22.743 1.00 42.13 N ATOM 1478 CA SER A 96 6.922 5.205 -22.478 1.00 23.24 C ATOM 1479 C SER A 96 6.284 6.070 -23.560 1.00 61.12 C ATOM 1480 O SER A 96 6.598 5.936 -24.744 1.00 2.33 O ATOM 1481 CB SER A 96 8.422 5.496 -22.395 1.00 20.44 C ATOM 1482 OG SER A 96 9.174 4.295 -22.370 1.00 32.42 O ATOM 0 H SER A 96 7.050 3.466 -23.643 1.00 42.13 H new ATOM 0 HA SER A 96 6.458 5.449 -21.522 1.00 23.24 H new ATOM 0 HB2 SER A 96 8.726 6.101 -23.249 1.00 20.44 H new ATOM 0 HB3 SER A 96 8.633 6.080 -21.499 1.00 20.44 H new ATOM 0 HG SER A 96 10.129 4.508 -22.319 1.00 32.42 H new ATOM 1488 N LEU A 97 5.386 6.957 -23.146 1.00 43.24 N ATOM 1489 CA LEU A 97 4.702 7.846 -24.080 1.00 23.24 C ATOM 1490 C LEU A 97 5.419 9.189 -24.177 1.00 34.11 C ATOM 1491 O LEU A 97 5.319 10.025 -23.278 1.00 53.24 O ATOM 1492 CB LEU A 97 3.252 8.059 -23.642 1.00 22.31 C ATOM 1493 CG LEU A 97 2.544 6.840 -23.050 1.00 73.44 C ATOM 1494 CD1 LEU A 97 1.081 7.153 -22.776 1.00 1.31 C ATOM 1495 CD2 LEU A 97 2.669 5.645 -23.984 1.00 74.25 C ATOM 0 H LEU A 97 5.114 7.080 -22.171 1.00 43.24 H new ATOM 0 HA LEU A 97 4.713 7.378 -25.064 1.00 23.24 H new ATOM 0 HB2 LEU A 97 3.230 8.861 -22.904 1.00 22.31 H new ATOM 0 HB3 LEU A 97 2.680 8.404 -24.504 1.00 22.31 H new ATOM 0 HG LEU A 97 3.024 6.589 -22.104 1.00 73.44 H new ATOM 0 HD11 LEU A 97 0.593 6.274 -22.355 1.00 1.31 H new ATOM 0 HD12 LEU A 97 1.012 7.980 -22.069 1.00 1.31 H new ATOM 0 HD13 LEU A 97 0.588 7.430 -23.708 1.00 1.31 H new ATOM 0 HD21 LEU A 97 2.159 4.786 -23.547 1.00 74.25 H new ATOM 0 HD22 LEU A 97 2.215 5.886 -24.945 1.00 74.25 H new ATOM 0 HD23 LEU A 97 3.722 5.406 -24.130 1.00 74.25 H new ATOM 1507 N THR A 98 6.140 9.391 -25.275 1.00 64.10 N ATOM 1508 CA THR A 98 6.872 10.632 -25.491 1.00 5.41 C ATOM 1509 C THR A 98 5.939 11.750 -25.942 1.00 71.10 C ATOM 1510 O THR A 98 4.975 11.511 -26.671 1.00 10.22 O ATOM 1511 CB THR A 98 7.985 10.453 -26.541 1.00 2.22 C ATOM 1512 OG1 THR A 98 7.452 9.840 -27.720 1.00 20.11 O ATOM 1513 CG2 THR A 98 9.118 9.602 -25.988 1.00 64.24 C ATOM 0 H THR A 98 6.233 8.710 -26.029 1.00 64.10 H new ATOM 0 HA THR A 98 7.323 10.902 -24.536 1.00 5.41 H new ATOM 0 HB THR A 98 8.380 11.437 -26.791 1.00 2.22 H new ATOM 0 HG1 THR A 98 8.165 9.731 -28.383 1.00 20.11 H new ATOM 0 HG21 THR A 98 9.892 9.489 -26.747 1.00 64.24 H new ATOM 0 HG22 THR A 98 9.541 10.086 -25.108 1.00 64.24 H new ATOM 0 HG23 THR A 98 8.734 8.620 -25.713 1.00 64.24 H new ATOM 1521 N LEU A 99 6.231 12.970 -25.506 1.00 15.24 N ATOM 1522 CA LEU A 99 5.417 14.126 -25.866 1.00 12.23 C ATOM 1523 C LEU A 99 5.217 14.203 -27.376 1.00 24.40 C ATOM 1524 O LEU A 99 6.165 14.433 -28.128 1.00 10.34 O ATOM 1525 CB LEU A 99 6.072 15.413 -25.361 1.00 32.15 C ATOM 1526 CG LEU A 99 5.143 16.614 -25.183 1.00 15.13 C ATOM 1527 CD1 LEU A 99 4.316 16.467 -23.914 1.00 63.35 C ATOM 1528 CD2 LEU A 99 5.943 17.908 -25.152 1.00 61.15 C ATOM 0 H LEU A 99 7.025 13.185 -24.903 1.00 15.24 H new ATOM 0 HA LEU A 99 4.441 14.013 -25.394 1.00 12.23 H new ATOM 0 HB2 LEU A 99 6.549 15.203 -24.404 1.00 32.15 H new ATOM 0 HB3 LEU A 99 6.863 15.691 -26.057 1.00 32.15 H new ATOM 0 HG LEU A 99 4.463 16.651 -26.034 1.00 15.13 H new ATOM 0 HD11 LEU A 99 3.661 17.331 -23.804 1.00 63.35 H new ATOM 0 HD12 LEU A 99 3.714 15.561 -23.975 1.00 63.35 H new ATOM 0 HD13 LEU A 99 4.980 16.404 -23.052 1.00 63.35 H new ATOM 0 HD21 LEU A 99 5.265 18.752 -25.025 1.00 61.15 H new ATOM 0 HD22 LEU A 99 6.648 17.880 -24.321 1.00 61.15 H new ATOM 0 HD23 LEU A 99 6.490 18.020 -26.088 1.00 61.15 H new