USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 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 Set 1.1: A 76 LYS NZ :NH3+ 171:sc= 0.177 (180deg=0.149) USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 30 THR OG1 : rot -79:sc= 1.24 USER MOD Single : A 33 MET CE :methyl 158:sc= -3.92! (180deg=-5.44!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 39 ASN : amide:sc= -2.71 K(o=-2.7,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 0.0749 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.99 K(o=-3,f=-4.6) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -160:sc= -0.531 USER MOD Single : A 89 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.8!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -11.943 2.935 -18.099 1.00 41.13 N ATOM 360 CA PHE A 22 -12.209 3.437 -19.442 1.00 42.23 C ATOM 361 C PHE A 22 -10.983 3.274 -20.336 1.00 51.44 C ATOM 362 O PHE A 22 -11.093 2.860 -21.491 1.00 72.40 O ATOM 363 CB PHE A 22 -12.622 4.909 -19.387 1.00 3.51 C ATOM 364 CG PHE A 22 -12.684 5.566 -20.736 1.00 62.14 C ATOM 365 CD1 PHE A 22 -13.338 4.951 -21.791 1.00 60.54 C ATOM 366 CD2 PHE A 22 -12.087 6.798 -20.950 1.00 53.11 C ATOM 367 CE1 PHE A 22 -13.397 5.552 -23.035 1.00 33.05 C ATOM 368 CE2 PHE A 22 -12.144 7.405 -22.191 1.00 23.43 C ATOM 369 CZ PHE A 22 -12.798 6.780 -23.235 1.00 13.25 C ATOM 0 HA PHE A 22 -13.026 2.853 -19.866 1.00 42.23 H new ATOM 0 HB2 PHE A 22 -13.599 4.986 -18.909 1.00 3.51 H new ATOM 0 HB3 PHE A 22 -11.916 5.453 -18.759 1.00 3.51 H new ATOM 0 HD1 PHE A 22 -13.808 3.990 -21.640 1.00 60.54 H new ATOM 0 HD2 PHE A 22 -11.571 7.290 -20.138 1.00 53.11 H new ATOM 0 HE1 PHE A 22 -13.911 5.062 -23.849 1.00 33.05 H new ATOM 0 HE2 PHE A 22 -11.678 8.367 -22.344 1.00 23.43 H new ATOM 0 HZ PHE A 22 -12.841 7.251 -24.206 1.00 13.25 H new ATOM 379 N LEU A 23 -9.816 3.604 -19.795 1.00 43.42 N ATOM 380 CA LEU A 23 -8.568 3.496 -20.543 1.00 23.21 C ATOM 381 C LEU A 23 -8.003 2.082 -20.457 1.00 23.41 C ATOM 382 O LEU A 23 -7.087 1.723 -21.196 1.00 43.53 O ATOM 383 CB LEU A 23 -7.543 4.500 -20.012 1.00 31.21 C ATOM 384 CG LEU A 23 -7.996 5.960 -19.965 1.00 63.43 C ATOM 385 CD1 LEU A 23 -8.834 6.298 -21.188 1.00 44.05 C ATOM 386 CD2 LEU A 23 -8.777 6.235 -18.689 1.00 4.43 C ATOM 0 H LEU A 23 -9.707 3.949 -18.841 1.00 43.42 H new ATOM 0 HA LEU A 23 -8.779 3.721 -21.588 1.00 23.21 H new ATOM 0 HB2 LEU A 23 -7.255 4.197 -19.005 1.00 31.21 H new ATOM 0 HB3 LEU A 23 -6.648 4.438 -20.632 1.00 31.21 H new ATOM 0 HG LEU A 23 -7.111 6.596 -19.969 1.00 63.43 H new ATOM 0 HD11 LEU A 23 -9.147 7.341 -21.137 1.00 44.05 H new ATOM 0 HD12 LEU A 23 -8.242 6.140 -22.090 1.00 44.05 H new ATOM 0 HD13 LEU A 23 -9.714 5.655 -21.215 1.00 44.05 H new ATOM 0 HD21 LEU A 23 -9.091 7.279 -18.673 1.00 4.43 H new ATOM 0 HD22 LEU A 23 -9.656 5.591 -18.654 1.00 4.43 H new ATOM 0 HD23 LEU A 23 -8.144 6.033 -17.825 1.00 4.43 H new ATOM 398 N GLU A 24 -8.557 1.282 -19.551 1.00 12.32 N ATOM 399 CA GLU A 24 -8.109 -0.093 -19.370 1.00 64.31 C ATOM 400 C GLU A 24 -8.844 -1.035 -20.320 1.00 2.41 C ATOM 401 O GLU A 24 -8.716 -2.254 -20.224 1.00 73.55 O ATOM 402 CB GLU A 24 -8.327 -0.539 -17.923 1.00 14.44 C ATOM 403 CG GLU A 24 -7.131 -0.286 -17.021 1.00 11.34 C ATOM 404 CD GLU A 24 -7.449 -0.505 -15.554 1.00 73.43 C ATOM 405 OE1 GLU A 24 -8.460 -1.179 -15.262 1.00 3.24 O ATOM 406 OE2 GLU A 24 -6.689 -0.004 -14.700 1.00 70.20 O ATOM 0 H GLU A 24 -9.317 1.563 -18.931 1.00 12.32 H new ATOM 0 HA GLU A 24 -7.044 -0.133 -19.598 1.00 64.31 H new ATOM 0 HB2 GLU A 24 -9.194 -0.017 -17.518 1.00 14.44 H new ATOM 0 HB3 GLU A 24 -8.561 -1.603 -17.911 1.00 14.44 H new ATOM 0 HG2 GLU A 24 -6.314 -0.945 -17.314 1.00 11.34 H new ATOM 0 HG3 GLU A 24 -6.782 0.737 -17.165 1.00 11.34 H new ATOM 413 N GLY A 25 -9.615 -0.457 -21.237 1.00 23.42 N ATOM 414 CA GLY A 25 -10.360 -1.258 -22.190 1.00 63.44 C ATOM 415 C GLY A 25 -9.714 -1.277 -23.562 1.00 22.34 C ATOM 416 O GLY A 25 -10.075 -2.088 -24.415 1.00 0.10 O ATOM 0 H GLY A 25 -9.736 0.551 -21.336 1.00 23.42 H new ATOM 0 HA2 GLY A 25 -10.442 -2.279 -21.816 1.00 63.44 H new ATOM 0 HA3 GLY A 25 -11.374 -0.867 -22.275 1.00 63.44 H new ATOM 420 N PHE A 26 -8.756 -0.381 -23.775 1.00 53.22 N ATOM 421 CA PHE A 26 -8.060 -0.296 -25.054 1.00 12.32 C ATOM 422 C PHE A 26 -6.610 -0.748 -24.914 1.00 45.34 C ATOM 423 O PHE A 26 -6.086 -0.855 -23.807 1.00 23.35 O ATOM 424 CB PHE A 26 -8.111 1.136 -25.592 1.00 23.13 C ATOM 425 CG PHE A 26 -9.465 1.774 -25.472 1.00 73.34 C ATOM 426 CD1 PHE A 26 -10.477 1.455 -26.364 1.00 63.22 C ATOM 427 CD2 PHE A 26 -9.727 2.692 -24.468 1.00 74.42 C ATOM 428 CE1 PHE A 26 -11.724 2.041 -26.257 1.00 23.10 C ATOM 429 CE2 PHE A 26 -10.973 3.281 -24.356 1.00 22.32 C ATOM 430 CZ PHE A 26 -11.973 2.954 -25.251 1.00 25.01 C ATOM 0 H PHE A 26 -8.444 0.296 -23.079 1.00 53.22 H new ATOM 0 HA PHE A 26 -8.562 -0.959 -25.758 1.00 12.32 H new ATOM 0 HB2 PHE A 26 -7.383 1.744 -25.054 1.00 23.13 H new ATOM 0 HB3 PHE A 26 -7.811 1.133 -26.640 1.00 23.13 H new ATOM 0 HD1 PHE A 26 -10.289 0.740 -27.152 1.00 63.22 H new ATOM 0 HD2 PHE A 26 -8.949 2.951 -23.765 1.00 74.42 H new ATOM 0 HE1 PHE A 26 -12.503 1.785 -26.960 1.00 23.10 H new ATOM 0 HE2 PHE A 26 -11.164 3.996 -23.569 1.00 22.32 H new ATOM 0 HZ PHE A 26 -12.948 3.411 -25.164 1.00 25.01 H new ATOM 440 N ASN A 27 -5.967 -1.012 -26.047 1.00 43.54 N ATOM 441 CA ASN A 27 -4.577 -1.453 -26.053 1.00 22.34 C ATOM 442 C ASN A 27 -3.648 -0.333 -25.594 1.00 52.10 C ATOM 443 O ASN A 27 -4.041 0.833 -25.550 1.00 42.44 O ATOM 444 CB ASN A 27 -4.175 -1.924 -27.452 1.00 4.42 C ATOM 445 CG ASN A 27 -4.500 -3.386 -27.686 1.00 30.21 C ATOM 446 OD1 ASN A 27 -4.901 -4.099 -26.766 1.00 20.30 O ATOM 447 ND2 ASN A 27 -4.328 -3.840 -28.922 1.00 50.10 N ATOM 0 H ASN A 27 -6.387 -0.928 -26.973 1.00 43.54 H new ATOM 0 HA ASN A 27 -4.484 -2.286 -25.356 1.00 22.34 H new ATOM 0 HB2 ASN A 27 -4.688 -1.317 -28.198 1.00 4.42 H new ATOM 0 HB3 ASN A 27 -3.106 -1.765 -27.592 1.00 4.42 H new ATOM 0 HD21 ASN A 27 -4.530 -4.816 -29.140 1.00 50.10 H new ATOM 0 HD22 ASN A 27 -3.994 -3.213 -29.654 1.00 50.10 H new ATOM 454 N ILE A 28 -2.416 -0.695 -25.254 1.00 60.30 N ATOM 455 CA ILE A 28 -1.431 0.279 -24.801 1.00 13.23 C ATOM 456 C ILE A 28 -0.836 1.047 -25.976 1.00 72.12 C ATOM 457 O ILE A 28 -0.336 2.159 -25.814 1.00 3.24 O ATOM 458 CB ILE A 28 -0.293 -0.396 -24.013 1.00 44.54 C ATOM 459 CG1 ILE A 28 0.630 0.661 -23.402 1.00 14.15 C ATOM 460 CG2 ILE A 28 0.494 -1.333 -24.918 1.00 14.22 C ATOM 461 CD1 ILE A 28 -0.067 1.573 -22.416 1.00 2.01 C ATOM 0 H ILE A 28 -2.076 -1.656 -25.284 1.00 60.30 H new ATOM 0 HA ILE A 28 -1.954 0.974 -24.144 1.00 13.23 H new ATOM 0 HB ILE A 28 -0.729 -0.983 -23.204 1.00 44.54 H new ATOM 0 HG12 ILE A 28 1.459 0.162 -22.900 1.00 14.15 H new ATOM 0 HG13 ILE A 28 1.059 1.264 -24.202 1.00 14.15 H new ATOM 0 HG21 ILE A 28 1.295 -1.803 -24.347 1.00 14.22 H new ATOM 0 HG22 ILE A 28 -0.171 -2.102 -25.311 1.00 14.22 H new ATOM 0 HG23 ILE A 28 0.922 -0.766 -25.745 1.00 14.22 H new ATOM 0 HD11 ILE A 28 0.647 2.297 -22.023 1.00 2.01 H new ATOM 0 HD12 ILE A 28 -0.878 2.100 -22.918 1.00 2.01 H new ATOM 0 HD13 ILE A 28 -0.472 0.980 -21.596 1.00 2.01 H new ATOM 473 N GLU A 29 -0.896 0.445 -27.160 1.00 53.42 N ATOM 474 CA GLU A 29 -0.364 1.074 -28.363 1.00 62.15 C ATOM 475 C GLU A 29 -1.333 2.121 -28.905 1.00 20.11 C ATOM 476 O GLU A 29 -0.921 3.111 -29.511 1.00 75.33 O ATOM 477 CB GLU A 29 -0.084 0.019 -29.436 1.00 34.22 C ATOM 478 CG GLU A 29 -1.335 -0.679 -29.944 1.00 11.05 C ATOM 479 CD GLU A 29 -1.064 -1.559 -31.148 1.00 42.24 C ATOM 480 OE1 GLU A 29 -0.424 -2.618 -30.979 1.00 14.33 O ATOM 481 OE2 GLU A 29 -1.492 -1.188 -32.262 1.00 2.44 O ATOM 0 H GLU A 29 -1.307 -0.476 -27.311 1.00 53.42 H new ATOM 0 HA GLU A 29 0.570 1.571 -28.099 1.00 62.15 H new ATOM 0 HB2 GLU A 29 0.424 0.493 -30.276 1.00 34.22 H new ATOM 0 HB3 GLU A 29 0.599 -0.727 -29.030 1.00 34.22 H new ATOM 0 HG2 GLU A 29 -1.759 -1.285 -29.143 1.00 11.05 H new ATOM 0 HG3 GLU A 29 -2.083 0.069 -30.207 1.00 11.05 H new ATOM 488 N THR A 30 -2.624 1.895 -28.682 1.00 11.21 N ATOM 489 CA THR A 30 -3.653 2.817 -29.148 1.00 24.50 C ATOM 490 C THR A 30 -3.454 4.207 -28.557 1.00 4.51 C ATOM 491 O THR A 30 -3.918 5.202 -29.115 1.00 2.25 O ATOM 492 CB THR A 30 -5.063 2.314 -28.786 1.00 1.15 C ATOM 493 OG1 THR A 30 -5.219 2.276 -27.363 1.00 2.34 O ATOM 494 CG2 THR A 30 -5.310 0.929 -29.365 1.00 5.32 C ATOM 0 H THR A 30 -2.982 1.081 -28.182 1.00 11.21 H new ATOM 0 HA THR A 30 -3.562 2.871 -30.233 1.00 24.50 H new ATOM 0 HB THR A 30 -5.791 3.004 -29.213 1.00 1.15 H new ATOM 0 HG1 THR A 30 -4.789 1.470 -27.008 1.00 2.34 H new ATOM 0 HG21 THR A 30 -6.312 0.596 -29.096 1.00 5.32 H new ATOM 0 HG22 THR A 30 -5.220 0.967 -30.451 1.00 5.32 H new ATOM 0 HG23 THR A 30 -4.575 0.231 -28.964 1.00 5.32 H new ATOM 502 N PHE A 31 -2.760 4.271 -27.425 1.00 60.31 N ATOM 503 CA PHE A 31 -2.500 5.541 -26.758 1.00 64.00 C ATOM 504 C PHE A 31 -1.201 6.164 -27.262 1.00 53.14 C ATOM 505 O PHE A 31 -0.275 5.457 -27.657 1.00 45.42 O ATOM 506 CB PHE A 31 -2.427 5.340 -25.243 1.00 11.11 C ATOM 507 CG PHE A 31 -3.601 4.590 -24.681 1.00 25.41 C ATOM 508 CD1 PHE A 31 -4.883 4.832 -25.147 1.00 44.14 C ATOM 509 CD2 PHE A 31 -3.422 3.641 -23.687 1.00 4.43 C ATOM 510 CE1 PHE A 31 -5.964 4.143 -24.631 1.00 50.43 C ATOM 511 CE2 PHE A 31 -4.499 2.949 -23.167 1.00 53.20 C ATOM 512 CZ PHE A 31 -5.772 3.200 -23.641 1.00 31.02 C ATOM 0 H PHE A 31 -2.368 3.458 -26.951 1.00 60.31 H new ATOM 0 HA PHE A 31 -3.322 6.219 -26.989 1.00 64.00 H new ATOM 0 HB2 PHE A 31 -1.511 4.801 -25.000 1.00 11.11 H new ATOM 0 HB3 PHE A 31 -2.362 6.314 -24.758 1.00 11.11 H new ATOM 0 HD1 PHE A 31 -5.039 5.567 -25.922 1.00 44.14 H new ATOM 0 HD2 PHE A 31 -2.429 3.440 -23.314 1.00 4.43 H new ATOM 0 HE1 PHE A 31 -6.959 4.342 -25.002 1.00 50.43 H new ATOM 0 HE2 PHE A 31 -4.346 2.213 -22.391 1.00 53.20 H new ATOM 0 HZ PHE A 31 -6.616 2.660 -23.238 1.00 31.02 H new ATOM 522 N GLU A 32 -1.144 7.492 -27.246 1.00 42.23 N ATOM 523 CA GLU A 32 0.040 8.210 -27.703 1.00 50.54 C ATOM 524 C GLU A 32 0.383 9.355 -26.754 1.00 35.23 C ATOM 525 O GLU A 32 -0.460 10.201 -26.456 1.00 45.42 O ATOM 526 CB GLU A 32 -0.180 8.754 -29.116 1.00 53.55 C ATOM 527 CG GLU A 32 -1.382 9.677 -29.233 1.00 71.21 C ATOM 528 CD GLU A 32 -1.945 9.727 -30.640 1.00 63.23 C ATOM 529 OE1 GLU A 32 -1.148 9.848 -31.594 1.00 54.34 O ATOM 530 OE2 GLU A 32 -3.182 9.644 -30.787 1.00 73.00 O ATOM 0 H GLU A 32 -1.903 8.092 -26.922 1.00 42.23 H new ATOM 0 HA GLU A 32 0.875 7.509 -27.716 1.00 50.54 H new ATOM 0 HB2 GLU A 32 0.713 9.293 -29.432 1.00 53.55 H new ATOM 0 HB3 GLU A 32 -0.307 7.917 -29.803 1.00 53.55 H new ATOM 0 HG2 GLU A 32 -2.160 9.343 -28.546 1.00 71.21 H new ATOM 0 HG3 GLU A 32 -1.095 10.682 -28.925 1.00 71.21 H new ATOM 537 N MET A 33 1.625 9.372 -26.281 1.00 74.01 N ATOM 538 CA MET A 33 2.079 10.412 -25.366 1.00 1.14 C ATOM 539 C MET A 33 1.814 11.799 -25.943 1.00 74.32 C ATOM 540 O MET A 33 2.126 12.069 -27.103 1.00 5.53 O ATOM 541 CB MET A 33 3.571 10.246 -25.072 1.00 3.41 C ATOM 542 CG MET A 33 4.165 11.397 -24.275 1.00 63.41 C ATOM 543 SD MET A 33 5.946 11.234 -24.042 1.00 72.30 S ATOM 544 CE MET A 33 6.173 12.149 -22.519 1.00 41.35 C ATOM 0 H MET A 33 2.334 8.678 -26.516 1.00 74.01 H new ATOM 0 HA MET A 33 1.519 10.312 -24.436 1.00 1.14 H new ATOM 0 HB2 MET A 33 3.724 9.317 -24.522 1.00 3.41 H new ATOM 0 HB3 MET A 33 4.110 10.151 -26.014 1.00 3.41 H new ATOM 0 HG2 MET A 33 3.954 12.336 -24.787 1.00 63.41 H new ATOM 0 HG3 MET A 33 3.678 11.449 -23.301 1.00 63.41 H new ATOM 0 HE1 MET A 33 7.098 11.831 -22.038 1.00 41.35 H new ATOM 0 HE2 MET A 33 6.227 13.215 -22.740 1.00 41.35 H new ATOM 0 HE3 MET A 33 5.333 11.959 -21.851 1.00 41.35 H new ATOM 554 N VAL A 34 1.234 12.674 -25.127 1.00 62.14 N ATOM 555 CA VAL A 34 0.927 14.033 -25.557 1.00 64.24 C ATOM 556 C VAL A 34 1.790 15.051 -24.820 1.00 30.44 C ATOM 557 O VAL A 34 1.992 16.168 -25.293 1.00 11.12 O ATOM 558 CB VAL A 34 -0.557 14.372 -25.328 1.00 53.30 C ATOM 559 CG1 VAL A 34 -0.921 14.213 -23.860 1.00 32.42 C ATOM 560 CG2 VAL A 34 -0.862 15.782 -25.811 1.00 3.42 C ATOM 0 H VAL A 34 0.967 12.466 -24.165 1.00 62.14 H new ATOM 0 HA VAL A 34 1.143 14.084 -26.624 1.00 64.24 H new ATOM 0 HB VAL A 34 -1.164 13.675 -25.906 1.00 53.30 H new ATOM 0 HG11 VAL A 34 -1.974 14.457 -23.718 1.00 32.42 H new ATOM 0 HG12 VAL A 34 -0.742 13.183 -23.550 1.00 32.42 H new ATOM 0 HG13 VAL A 34 -0.308 14.885 -23.258 1.00 32.42 H new ATOM 0 HG21 VAL A 34 -1.915 16.005 -25.641 1.00 3.42 H new ATOM 0 HG22 VAL A 34 -0.247 16.496 -25.262 1.00 3.42 H new ATOM 0 HG23 VAL A 34 -0.642 15.857 -26.876 1.00 3.42 H new ATOM 570 N GLY A 35 2.298 14.655 -23.656 1.00 13.41 N ATOM 571 CA GLY A 35 3.134 15.545 -22.871 1.00 34.21 C ATOM 572 C GLY A 35 3.449 14.983 -21.499 1.00 11.33 C ATOM 573 O GLY A 35 3.149 13.824 -21.209 1.00 50.41 O ATOM 0 H GLY A 35 2.146 13.735 -23.243 1.00 13.41 H new ATOM 0 HA2 GLY A 35 4.065 15.731 -23.407 1.00 34.21 H new ATOM 0 HA3 GLY A 35 2.632 16.506 -22.760 1.00 34.21 H new ATOM 577 N THR A 36 4.058 15.806 -20.650 1.00 32.31 N ATOM 578 CA THR A 36 4.417 15.384 -19.302 1.00 11.02 C ATOM 579 C THR A 36 4.331 16.547 -18.321 1.00 11.54 C ATOM 580 O THR A 36 4.588 17.697 -18.681 1.00 11.13 O ATOM 581 CB THR A 36 5.839 14.794 -19.258 1.00 2.32 C ATOM 582 OG1 THR A 36 6.666 15.435 -20.236 1.00 11.55 O ATOM 583 CG2 THR A 36 5.812 13.295 -19.514 1.00 54.12 C ATOM 0 H THR A 36 4.313 16.768 -20.873 1.00 32.31 H new ATOM 0 HA THR A 36 3.703 14.613 -19.011 1.00 11.02 H new ATOM 0 HB THR A 36 6.250 14.969 -18.264 1.00 2.32 H new ATOM 0 HG1 THR A 36 7.569 15.055 -20.200 1.00 11.55 H new ATOM 0 HG21 THR A 36 6.828 12.901 -19.478 1.00 54.12 H new ATOM 0 HG22 THR A 36 5.206 12.806 -18.751 1.00 54.12 H new ATOM 0 HG23 THR A 36 5.383 13.101 -20.497 1.00 54.12 H new ATOM 591 N LEU A 37 3.969 16.243 -17.079 1.00 72.24 N ATOM 592 CA LEU A 37 3.850 17.264 -16.045 1.00 14.14 C ATOM 593 C LEU A 37 4.830 17.002 -14.905 1.00 54.14 C ATOM 594 O LEU A 37 5.041 15.857 -14.506 1.00 52.01 O ATOM 595 CB LEU A 37 2.420 17.305 -15.503 1.00 54.11 C ATOM 596 CG LEU A 37 2.085 18.477 -14.580 1.00 12.21 C ATOM 597 CD1 LEU A 37 2.645 18.237 -13.187 1.00 24.41 C ATOM 598 CD2 LEU A 37 2.622 19.780 -15.155 1.00 70.43 C ATOM 0 H LEU A 37 3.753 15.297 -16.764 1.00 72.24 H new ATOM 0 HA LEU A 37 4.091 18.228 -16.492 1.00 14.14 H new ATOM 0 HB2 LEU A 37 1.733 17.327 -16.349 1.00 54.11 H new ATOM 0 HB3 LEU A 37 2.231 16.377 -14.963 1.00 54.11 H new ATOM 0 HG LEU A 37 1.000 18.556 -14.505 1.00 12.21 H new ATOM 0 HD11 LEU A 37 2.397 19.082 -12.544 1.00 24.41 H new ATOM 0 HD12 LEU A 37 2.212 17.326 -12.773 1.00 24.41 H new ATOM 0 HD13 LEU A 37 3.728 18.131 -13.244 1.00 24.41 H new ATOM 0 HD21 LEU A 37 2.374 20.603 -14.485 1.00 70.43 H new ATOM 0 HD22 LEU A 37 3.705 19.712 -15.261 1.00 70.43 H new ATOM 0 HD23 LEU A 37 2.172 19.959 -16.132 1.00 70.43 H new ATOM 610 N SER A 38 5.424 18.071 -14.385 1.00 53.20 N ATOM 611 CA SER A 38 6.383 17.957 -13.292 1.00 74.24 C ATOM 612 C SER A 38 6.237 19.121 -12.317 1.00 54.14 C ATOM 613 O SER A 38 6.244 20.284 -12.717 1.00 44.43 O ATOM 614 CB SER A 38 7.810 17.912 -13.841 1.00 40.31 C ATOM 615 OG SER A 38 8.355 19.216 -13.951 1.00 71.35 O ATOM 0 H SER A 38 5.258 19.026 -14.703 1.00 53.20 H new ATOM 0 HA SER A 38 6.178 17.030 -12.756 1.00 74.24 H new ATOM 0 HB2 SER A 38 8.436 17.307 -13.186 1.00 40.31 H new ATOM 0 HB3 SER A 38 7.812 17.430 -14.819 1.00 40.31 H new ATOM 0 HG SER A 38 9.268 19.160 -14.303 1.00 71.35 H new ATOM 621 N ASN A 39 6.103 18.798 -11.035 1.00 62.31 N ATOM 622 CA ASN A 39 5.955 19.816 -10.002 1.00 34.24 C ATOM 623 C ASN A 39 6.188 19.222 -8.616 1.00 11.14 C ATOM 624 O ASN A 39 6.637 18.084 -8.484 1.00 60.04 O ATOM 625 CB ASN A 39 4.561 20.444 -10.072 1.00 22.13 C ATOM 626 CG ASN A 39 3.481 19.514 -9.553 1.00 42.12 C ATOM 627 OD1 ASN A 39 2.745 19.855 -8.627 1.00 51.14 O ATOM 628 ND2 ASN A 39 3.382 18.332 -10.150 1.00 23.34 N ATOM 0 H ASN A 39 6.094 17.839 -10.687 1.00 62.31 H new ATOM 0 HA ASN A 39 6.704 20.588 -10.178 1.00 34.24 H new ATOM 0 HB2 ASN A 39 4.552 21.367 -9.492 1.00 22.13 H new ATOM 0 HB3 ASN A 39 4.339 20.714 -11.104 1.00 22.13 H new ATOM 0 HD21 ASN A 39 2.674 17.664 -9.845 1.00 23.34 H new ATOM 0 HD22 ASN A 39 4.014 18.092 -10.914 1.00 23.34 H new ATOM 635 N ALA A 40 5.879 20.001 -7.584 1.00 52.44 N ATOM 636 CA ALA A 40 6.052 19.552 -6.209 1.00 11.34 C ATOM 637 C ALA A 40 5.355 18.216 -5.975 1.00 53.34 C ATOM 638 O ALA A 40 5.839 17.378 -5.216 1.00 22.02 O ATOM 639 CB ALA A 40 5.525 20.601 -5.241 1.00 14.13 C ATOM 0 H ALA A 40 5.507 20.947 -7.675 1.00 52.44 H new ATOM 0 HA ALA A 40 7.118 19.411 -6.031 1.00 11.34 H new ATOM 0 HB1 ALA A 40 5.661 20.252 -4.217 1.00 14.13 H new ATOM 0 HB2 ALA A 40 6.071 21.533 -5.382 1.00 14.13 H new ATOM 0 HB3 ALA A 40 4.465 20.770 -5.429 1.00 14.13 H new ATOM 645 N GLN A 41 4.215 18.026 -6.633 1.00 23.02 N ATOM 646 CA GLN A 41 3.451 16.792 -6.495 1.00 24.31 C ATOM 647 C GLN A 41 4.253 15.596 -6.999 1.00 51.21 C ATOM 648 O GLN A 41 4.108 14.482 -6.497 1.00 52.51 O ATOM 649 CB GLN A 41 2.132 16.896 -7.261 1.00 75.30 C ATOM 650 CG GLN A 41 0.923 17.108 -6.364 1.00 74.32 C ATOM 651 CD GLN A 41 -0.359 17.305 -7.149 1.00 71.14 C ATOM 652 OE1 GLN A 41 -0.911 16.356 -7.708 1.00 0.23 O ATOM 653 NE2 GLN A 41 -0.841 18.542 -7.196 1.00 64.45 N ATOM 0 H GLN A 41 3.801 18.710 -7.266 1.00 23.02 H new ATOM 0 HA GLN A 41 3.237 16.643 -5.437 1.00 24.31 H new ATOM 0 HB2 GLN A 41 2.197 17.721 -7.970 1.00 75.30 H new ATOM 0 HB3 GLN A 41 1.987 15.986 -7.843 1.00 75.30 H new ATOM 0 HG2 GLN A 41 0.811 16.249 -5.703 1.00 74.32 H new ATOM 0 HG3 GLN A 41 1.094 17.978 -5.730 1.00 74.32 H new ATOM 0 HE21 GLN A 41 -0.351 19.299 -6.718 1.00 64.45 H new ATOM 0 HE22 GLN A 41 -1.701 18.735 -7.710 1.00 64.45 H new ATOM 662 N GLY A 42 5.100 15.835 -7.996 1.00 55.42 N ATOM 663 CA GLY A 42 5.911 14.769 -8.552 1.00 62.42 C ATOM 664 C GLY A 42 6.006 14.840 -10.063 1.00 64.14 C ATOM 665 O GLY A 42 5.798 15.898 -10.658 1.00 10.35 O ATOM 0 H GLY A 42 5.238 16.748 -8.428 1.00 55.42 H new ATOM 0 HA2 GLY A 42 6.913 14.819 -8.125 1.00 62.42 H new ATOM 0 HA3 GLY A 42 5.489 13.807 -8.262 1.00 62.42 H new ATOM 669 N THR A 43 6.324 13.711 -10.689 1.00 21.41 N ATOM 670 CA THR A 43 6.450 13.650 -12.140 1.00 34.44 C ATOM 671 C THR A 43 5.359 12.777 -12.750 1.00 31.34 C ATOM 672 O THR A 43 5.387 11.552 -12.625 1.00 4.24 O ATOM 673 CB THR A 43 7.826 13.102 -12.562 1.00 31.21 C ATOM 674 OG1 THR A 43 8.832 13.543 -11.643 1.00 34.32 O ATOM 675 CG2 THR A 43 8.182 13.559 -13.969 1.00 32.35 C ATOM 0 H THR A 43 6.499 12.826 -10.213 1.00 21.41 H new ATOM 0 HA THR A 43 6.345 14.670 -12.510 1.00 34.44 H new ATOM 0 HB THR A 43 7.778 12.013 -12.552 1.00 31.21 H new ATOM 0 HG1 THR A 43 9.704 13.189 -11.917 1.00 34.32 H new ATOM 0 HG21 THR A 43 9.158 13.160 -14.245 1.00 32.35 H new ATOM 0 HG22 THR A 43 7.430 13.197 -14.670 1.00 32.35 H new ATOM 0 HG23 THR A 43 8.213 14.648 -14.001 1.00 32.35 H new ATOM 683 N PHE A 44 4.398 13.414 -13.411 1.00 22.13 N ATOM 684 CA PHE A 44 3.297 12.695 -14.041 1.00 21.34 C ATOM 685 C PHE A 44 3.463 12.666 -15.557 1.00 51.32 C ATOM 686 O PHE A 44 4.169 13.495 -16.131 1.00 21.03 O ATOM 687 CB PHE A 44 1.961 13.343 -13.674 1.00 54.34 C ATOM 688 CG PHE A 44 1.781 13.554 -12.198 1.00 41.12 C ATOM 689 CD1 PHE A 44 2.322 14.666 -11.573 1.00 31.11 C ATOM 690 CD2 PHE A 44 1.072 12.640 -11.436 1.00 11.03 C ATOM 691 CE1 PHE A 44 2.158 14.863 -10.215 1.00 3.24 C ATOM 692 CE2 PHE A 44 0.905 12.832 -10.077 1.00 54.23 C ATOM 693 CZ PHE A 44 1.450 13.944 -9.466 1.00 15.42 C ATOM 0 H PHE A 44 4.360 14.427 -13.524 1.00 22.13 H new ATOM 0 HA PHE A 44 3.308 11.669 -13.673 1.00 21.34 H new ATOM 0 HB2 PHE A 44 1.881 14.304 -14.182 1.00 54.34 H new ATOM 0 HB3 PHE A 44 1.149 12.717 -14.045 1.00 54.34 H new ATOM 0 HD1 PHE A 44 2.878 15.387 -12.154 1.00 31.11 H new ATOM 0 HD2 PHE A 44 0.645 11.768 -11.909 1.00 11.03 H new ATOM 0 HE1 PHE A 44 2.583 15.735 -9.740 1.00 3.24 H new ATOM 0 HE2 PHE A 44 0.349 12.113 -9.494 1.00 54.23 H new ATOM 0 HZ PHE A 44 1.323 14.095 -8.404 1.00 15.42 H new ATOM 703 N ALA A 45 2.807 11.706 -16.200 1.00 71.23 N ATOM 704 CA ALA A 45 2.880 11.569 -17.650 1.00 12.44 C ATOM 705 C ALA A 45 1.526 11.843 -18.296 1.00 32.44 C ATOM 706 O ALA A 45 0.506 11.287 -17.884 1.00 4.24 O ATOM 707 CB ALA A 45 3.375 10.180 -18.025 1.00 1.53 C ATOM 0 H ALA A 45 2.219 11.011 -15.740 1.00 71.23 H new ATOM 0 HA ALA A 45 3.588 12.308 -18.025 1.00 12.44 H new ATOM 0 HB1 ALA A 45 3.424 10.092 -19.110 1.00 1.53 H new ATOM 0 HB2 ALA A 45 4.367 10.021 -17.602 1.00 1.53 H new ATOM 0 HB3 ALA A 45 2.689 9.430 -17.631 1.00 1.53 H new ATOM 713 N LEU A 46 1.522 12.701 -19.309 1.00 14.50 N ATOM 714 CA LEU A 46 0.292 13.049 -20.012 1.00 53.31 C ATOM 715 C LEU A 46 0.193 12.303 -21.339 1.00 3.11 C ATOM 716 O LEU A 46 1.033 12.473 -22.223 1.00 24.05 O ATOM 717 CB LEU A 46 0.230 14.558 -20.257 1.00 11.04 C ATOM 718 CG LEU A 46 0.561 15.446 -19.057 1.00 12.50 C ATOM 719 CD1 LEU A 46 0.335 16.911 -19.399 1.00 12.01 C ATOM 720 CD2 LEU A 46 -0.273 15.044 -17.849 1.00 40.12 C ATOM 0 H LEU A 46 2.357 13.169 -19.663 1.00 14.50 H new ATOM 0 HA LEU A 46 -0.550 12.754 -19.386 1.00 53.31 H new ATOM 0 HB2 LEU A 46 0.918 14.803 -21.066 1.00 11.04 H new ATOM 0 HB3 LEU A 46 -0.772 14.809 -20.604 1.00 11.04 H new ATOM 0 HG LEU A 46 1.613 15.310 -18.808 1.00 12.50 H new ATOM 0 HD11 LEU A 46 0.576 17.528 -18.533 1.00 12.01 H new ATOM 0 HD12 LEU A 46 0.976 17.193 -20.235 1.00 12.01 H new ATOM 0 HD13 LEU A 46 -0.709 17.064 -19.675 1.00 12.01 H new ATOM 0 HD21 LEU A 46 -0.024 15.687 -17.005 1.00 40.12 H new ATOM 0 HD22 LEU A 46 -1.332 15.150 -18.086 1.00 40.12 H new ATOM 0 HD23 LEU A 46 -0.062 14.007 -17.590 1.00 40.12 H new ATOM 732 N VAL A 47 -0.840 11.477 -21.472 1.00 41.44 N ATOM 733 CA VAL A 47 -1.051 10.708 -22.693 1.00 25.44 C ATOM 734 C VAL A 47 -2.412 11.013 -23.307 1.00 31.13 C ATOM 735 O VAL A 47 -3.322 11.485 -22.625 1.00 3.24 O ATOM 736 CB VAL A 47 -0.947 9.194 -22.426 1.00 55.11 C ATOM 737 CG1 VAL A 47 -2.164 8.703 -21.656 1.00 51.24 C ATOM 738 CG2 VAL A 47 -0.791 8.433 -23.734 1.00 22.22 C ATOM 0 H VAL A 47 -1.544 11.323 -20.750 1.00 41.44 H new ATOM 0 HA VAL A 47 -0.268 11.001 -23.392 1.00 25.44 H new ATOM 0 HB VAL A 47 -0.062 9.009 -21.816 1.00 55.11 H new ATOM 0 HG11 VAL A 47 -2.073 7.632 -21.477 1.00 51.24 H new ATOM 0 HG12 VAL A 47 -2.227 9.227 -20.702 1.00 51.24 H new ATOM 0 HG13 VAL A 47 -3.065 8.898 -22.237 1.00 51.24 H new ATOM 0 HG21 VAL A 47 -0.719 7.365 -23.527 1.00 22.22 H new ATOM 0 HG22 VAL A 47 -1.656 8.622 -24.370 1.00 22.22 H new ATOM 0 HG23 VAL A 47 0.114 8.766 -24.243 1.00 22.22 H new ATOM 748 N LYS A 48 -2.546 10.739 -24.600 1.00 52.51 N ATOM 749 CA LYS A 48 -3.797 10.983 -25.308 1.00 74.42 C ATOM 750 C LYS A 48 -4.262 9.727 -26.038 1.00 72.44 C ATOM 751 O LYS A 48 -3.456 8.997 -26.614 1.00 41.31 O ATOM 752 CB LYS A 48 -3.628 12.132 -26.305 1.00 33.42 C ATOM 753 CG LYS A 48 -4.892 12.452 -27.083 1.00 54.44 C ATOM 754 CD LYS A 48 -4.973 11.651 -28.372 1.00 25.44 C ATOM 755 CE LYS A 48 -5.764 12.390 -29.440 1.00 25.11 C ATOM 756 NZ LYS A 48 -5.805 11.634 -30.722 1.00 64.13 N ATOM 0 H LYS A 48 -1.803 10.348 -25.179 1.00 52.51 H new ATOM 0 HA LYS A 48 -4.554 11.257 -24.573 1.00 74.42 H new ATOM 0 HB2 LYS A 48 -3.306 13.024 -25.768 1.00 33.42 H new ATOM 0 HB3 LYS A 48 -2.833 11.879 -27.007 1.00 33.42 H new ATOM 0 HG2 LYS A 48 -5.764 12.238 -26.465 1.00 54.44 H new ATOM 0 HG3 LYS A 48 -4.918 13.517 -27.313 1.00 54.44 H new ATOM 0 HD2 LYS A 48 -3.967 11.448 -28.739 1.00 25.44 H new ATOM 0 HD3 LYS A 48 -5.441 10.687 -28.173 1.00 25.44 H new ATOM 0 HE2 LYS A 48 -6.781 12.560 -29.086 1.00 25.11 H new ATOM 0 HE3 LYS A 48 -5.317 13.370 -29.610 1.00 25.11 H new ATOM 0 HZ1 LYS A 48 -5.769 12.301 -31.519 1.00 64.13 H new ATOM 0 HZ2 LYS A 48 -4.990 10.990 -30.772 1.00 64.13 H new ATOM 0 HZ3 LYS A 48 -6.685 11.082 -30.772 1.00 64.13 H new ATOM 770 N GLY A 49 -5.569 9.481 -26.011 1.00 62.05 N ATOM 771 CA GLY A 49 -6.118 8.313 -26.676 1.00 1.34 C ATOM 772 C GLY A 49 -7.581 8.094 -26.346 1.00 71.44 C ATOM 773 O GLY A 49 -8.162 8.830 -25.550 1.00 54.23 O ATOM 0 H GLY A 49 -6.257 10.069 -25.541 1.00 62.05 H new ATOM 0 HA2 GLY A 49 -6.005 8.425 -27.754 1.00 1.34 H new ATOM 0 HA3 GLY A 49 -5.547 7.431 -26.386 1.00 1.34 H new ATOM 777 N ALA A 50 -8.178 7.078 -26.962 1.00 15.32 N ATOM 778 CA ALA A 50 -9.583 6.764 -26.729 1.00 64.25 C ATOM 779 C ALA A 50 -10.455 8.006 -26.876 1.00 70.23 C ATOM 780 O ALA A 50 -11.501 8.120 -26.239 1.00 54.24 O ATOM 781 CB ALA A 50 -9.764 6.149 -25.350 1.00 34.23 C ATOM 0 H ALA A 50 -7.711 6.459 -27.625 1.00 15.32 H new ATOM 0 HA ALA A 50 -9.898 6.041 -27.481 1.00 64.25 H new ATOM 0 HB1 ALA A 50 -10.817 5.920 -25.189 1.00 34.23 H new ATOM 0 HB2 ALA A 50 -9.178 5.232 -25.281 1.00 34.23 H new ATOM 0 HB3 ALA A 50 -9.426 6.854 -24.590 1.00 34.23 H new ATOM 787 N GLY A 51 -10.016 8.935 -27.720 1.00 15.41 N ATOM 788 CA GLY A 51 -10.769 10.157 -27.934 1.00 53.40 C ATOM 789 C GLY A 51 -10.764 11.063 -26.718 1.00 65.51 C ATOM 790 O GLY A 51 -11.762 11.714 -26.416 1.00 13.22 O ATOM 0 H GLY A 51 -9.153 8.863 -28.259 1.00 15.41 H new ATOM 0 HA2 GLY A 51 -10.350 10.694 -28.785 1.00 53.40 H new ATOM 0 HA3 GLY A 51 -11.798 9.906 -28.191 1.00 53.40 H new ATOM 794 N GLY A 52 -9.634 11.102 -26.017 1.00 15.12 N ATOM 795 CA GLY A 52 -9.525 11.936 -24.834 1.00 21.41 C ATOM 796 C GLY A 52 -8.112 11.982 -24.286 1.00 51.14 C ATOM 797 O GLY A 52 -7.193 11.408 -24.871 1.00 2.45 O ATOM 0 H GLY A 52 -8.794 10.572 -26.247 1.00 15.12 H new ATOM 0 HA2 GLY A 52 -9.851 12.948 -25.075 1.00 21.41 H new ATOM 0 HA3 GLY A 52 -10.198 11.559 -24.064 1.00 21.41 H new ATOM 801 N VAL A 53 -7.937 12.669 -23.162 1.00 33.34 N ATOM 802 CA VAL A 53 -6.626 12.789 -22.535 1.00 72.12 C ATOM 803 C VAL A 53 -6.588 12.060 -21.197 1.00 2.13 C ATOM 804 O VAL A 53 -7.535 12.129 -20.412 1.00 42.25 O ATOM 805 CB VAL A 53 -6.242 14.264 -22.315 1.00 53.22 C ATOM 806 CG1 VAL A 53 -5.785 14.897 -23.620 1.00 45.33 C ATOM 807 CG2 VAL A 53 -7.411 15.035 -21.720 1.00 42.21 C ATOM 0 H VAL A 53 -8.687 13.151 -22.667 1.00 33.34 H new ATOM 0 HA VAL A 53 -5.907 12.332 -23.215 1.00 72.12 H new ATOM 0 HB VAL A 53 -5.412 14.304 -21.609 1.00 53.22 H new ATOM 0 HG11 VAL A 53 -5.518 15.939 -23.445 1.00 45.33 H new ATOM 0 HG12 VAL A 53 -4.917 14.359 -24.001 1.00 45.33 H new ATOM 0 HG13 VAL A 53 -6.592 14.847 -24.351 1.00 45.33 H new ATOM 0 HG21 VAL A 53 -7.122 16.075 -21.571 1.00 42.21 H new ATOM 0 HG22 VAL A 53 -8.262 14.988 -22.400 1.00 42.21 H new ATOM 0 HG23 VAL A 53 -7.688 14.594 -20.762 1.00 42.21 H new ATOM 817 N HIS A 54 -5.486 11.361 -20.941 1.00 12.41 N ATOM 818 CA HIS A 54 -5.323 10.620 -19.696 1.00 33.25 C ATOM 819 C HIS A 54 -4.040 11.033 -18.981 1.00 62.43 C ATOM 820 O HIS A 54 -3.131 11.595 -19.593 1.00 14.13 O ATOM 821 CB HIS A 54 -5.306 9.116 -19.971 1.00 72.03 C ATOM 822 CG HIS A 54 -6.025 8.729 -21.227 1.00 44.24 C ATOM 823 ND1 HIS A 54 -5.493 7.867 -22.163 1.00 51.23 N ATOM 824 CD2 HIS A 54 -7.241 9.091 -21.699 1.00 23.11 C ATOM 825 CE1 HIS A 54 -6.351 7.717 -23.157 1.00 25.20 C ATOM 826 NE2 HIS A 54 -7.420 8.448 -22.899 1.00 44.43 N ATOM 0 H HIS A 54 -4.693 11.293 -21.579 1.00 12.41 H new ATOM 0 HA HIS A 54 -6.169 10.854 -19.050 1.00 33.25 H new ATOM 0 HB2 HIS A 54 -4.272 8.778 -20.035 1.00 72.03 H new ATOM 0 HB3 HIS A 54 -5.759 8.595 -19.127 1.00 72.03 H new ATOM 0 HD2 HIS A 54 -7.940 9.761 -21.221 1.00 23.11 H new ATOM 0 HE1 HIS A 54 -6.203 7.101 -24.032 1.00 25.20 H new ATOM 0 HE2 HIS A 54 -8.245 8.523 -23.494 1.00 44.43 H new ATOM 834 N ARG A 55 -3.973 10.750 -17.684 1.00 40.04 N ATOM 835 CA ARG A 55 -2.802 11.094 -16.887 1.00 21.20 C ATOM 836 C ARG A 55 -2.393 9.928 -15.991 1.00 13.53 C ATOM 837 O ARG A 55 -3.213 9.383 -15.252 1.00 22.23 O ATOM 838 CB ARG A 55 -3.085 12.332 -16.034 1.00 44.14 C ATOM 839 CG ARG A 55 -4.146 12.109 -14.969 1.00 65.11 C ATOM 840 CD ARG A 55 -4.562 13.417 -14.315 1.00 75.03 C ATOM 841 NE ARG A 55 -5.195 13.203 -13.016 1.00 64.44 N ATOM 842 CZ ARG A 55 -5.597 14.189 -12.223 1.00 3.21 C ATOM 843 NH1 ARG A 55 -5.433 15.451 -12.594 1.00 55.44 N ATOM 844 NH2 ARG A 55 -6.164 13.914 -11.055 1.00 62.13 N ATOM 0 H ARG A 55 -4.716 10.284 -17.163 1.00 40.04 H new ATOM 0 HA ARG A 55 -1.980 11.312 -17.569 1.00 21.20 H new ATOM 0 HB2 ARG A 55 -2.160 12.650 -15.552 1.00 44.14 H new ATOM 0 HB3 ARG A 55 -3.402 13.147 -16.685 1.00 44.14 H new ATOM 0 HG2 ARG A 55 -5.018 11.631 -15.417 1.00 65.11 H new ATOM 0 HG3 ARG A 55 -3.763 11.427 -14.210 1.00 65.11 H new ATOM 0 HD2 ARG A 55 -3.687 14.055 -14.191 1.00 75.03 H new ATOM 0 HD3 ARG A 55 -5.252 13.947 -14.971 1.00 75.03 H new ATOM 0 HE ARG A 55 -5.336 12.243 -12.701 1.00 64.44 H new ATOM 0 HH11 ARG A 55 -4.997 15.666 -13.491 1.00 55.44 H new ATOM 0 HH12 ARG A 55 -5.743 16.207 -11.983 1.00 55.44 H new ATOM 0 HH21 ARG A 55 -6.291 12.944 -10.766 1.00 62.13 H new ATOM 0 HH22 ARG A 55 -6.472 14.672 -10.447 1.00 62.13 H new ATOM 858 N VAL A 56 -1.120 9.552 -16.062 1.00 35.30 N ATOM 859 CA VAL A 56 -0.603 8.452 -15.257 1.00 65.21 C ATOM 860 C VAL A 56 0.821 8.735 -14.791 1.00 63.33 C ATOM 861 O VAL A 56 1.615 9.333 -15.517 1.00 43.31 O ATOM 862 CB VAL A 56 -0.621 7.126 -16.041 1.00 23.14 C ATOM 863 CG1 VAL A 56 -2.050 6.704 -16.343 1.00 74.14 C ATOM 864 CG2 VAL A 56 0.189 7.254 -17.322 1.00 70.31 C ATOM 0 H VAL A 56 -0.428 9.993 -16.668 1.00 35.30 H new ATOM 0 HA VAL A 56 -1.255 8.361 -14.389 1.00 65.21 H new ATOM 0 HB VAL A 56 -0.162 6.353 -15.425 1.00 23.14 H new ATOM 0 HG11 VAL A 56 -2.043 5.765 -16.897 1.00 74.14 H new ATOM 0 HG12 VAL A 56 -2.595 6.569 -15.409 1.00 74.14 H new ATOM 0 HG13 VAL A 56 -2.538 7.474 -16.940 1.00 74.14 H new ATOM 0 HG21 VAL A 56 0.166 6.308 -17.863 1.00 70.31 H new ATOM 0 HG22 VAL A 56 -0.238 8.040 -17.945 1.00 70.31 H new ATOM 0 HG23 VAL A 56 1.221 7.506 -17.076 1.00 70.31 H new ATOM 874 N ARG A 57 1.138 8.300 -13.576 1.00 32.20 N ATOM 875 CA ARG A 57 2.466 8.507 -13.012 1.00 63.24 C ATOM 876 C ARG A 57 3.122 7.174 -12.662 1.00 13.34 C ATOM 877 O ARG A 57 2.525 6.112 -12.836 1.00 32.20 O ATOM 878 CB ARG A 57 2.383 9.390 -11.766 1.00 51.11 C ATOM 879 CG ARG A 57 1.254 9.008 -10.823 1.00 30.40 C ATOM 880 CD ARG A 57 1.695 9.077 -9.369 1.00 52.33 C ATOM 881 NE ARG A 57 0.659 9.644 -8.510 1.00 30.23 N ATOM 882 CZ ARG A 57 -0.432 8.982 -8.139 1.00 45.11 C ATOM 883 NH1 ARG A 57 -0.627 7.737 -8.550 1.00 72.13 N ATOM 884 NH2 ARG A 57 -1.329 9.566 -7.355 1.00 21.30 N ATOM 0 H ARG A 57 0.493 7.802 -12.963 1.00 32.20 H new ATOM 0 HA ARG A 57 3.078 9.007 -13.763 1.00 63.24 H new ATOM 0 HB2 ARG A 57 3.329 9.334 -11.228 1.00 51.11 H new ATOM 0 HB3 ARG A 57 2.252 10.427 -12.074 1.00 51.11 H new ATOM 0 HG2 ARG A 57 0.406 9.675 -10.979 1.00 30.40 H new ATOM 0 HG3 ARG A 57 0.912 7.999 -11.053 1.00 30.40 H new ATOM 0 HD2 ARG A 57 1.949 8.076 -9.019 1.00 52.33 H new ATOM 0 HD3 ARG A 57 2.600 9.680 -9.293 1.00 52.33 H new ATOM 0 HE ARG A 57 0.779 10.600 -8.177 1.00 30.23 H new ATOM 0 HH11 ARG A 57 0.061 7.285 -9.152 1.00 72.13 H new ATOM 0 HH12 ARG A 57 -1.465 7.231 -8.264 1.00 72.13 H new ATOM 0 HH21 ARG A 57 -1.182 10.524 -7.037 1.00 21.30 H new ATOM 0 HH22 ARG A 57 -2.166 9.057 -7.071 1.00 21.30 H new ATOM 898 N VAL A 58 4.354 7.239 -12.167 1.00 33.25 N ATOM 899 CA VAL A 58 5.090 6.038 -11.791 1.00 4.04 C ATOM 900 C VAL A 58 4.250 5.136 -10.893 1.00 43.32 C ATOM 901 O VAL A 58 3.861 5.527 -9.793 1.00 74.55 O ATOM 902 CB VAL A 58 6.402 6.389 -11.064 1.00 22.14 C ATOM 903 CG1 VAL A 58 7.139 5.124 -10.652 1.00 25.23 C ATOM 904 CG2 VAL A 58 7.281 7.265 -11.944 1.00 14.23 C ATOM 0 H VAL A 58 4.863 8.110 -12.017 1.00 33.25 H new ATOM 0 HA VAL A 58 5.325 5.509 -12.715 1.00 4.04 H new ATOM 0 HB VAL A 58 6.158 6.949 -10.161 1.00 22.14 H new ATOM 0 HG11 VAL A 58 8.063 5.392 -10.140 1.00 25.23 H new ATOM 0 HG12 VAL A 58 6.510 4.538 -9.982 1.00 25.23 H new ATOM 0 HG13 VAL A 58 7.373 4.534 -11.538 1.00 25.23 H new ATOM 0 HG21 VAL A 58 8.203 7.503 -11.414 1.00 14.23 H new ATOM 0 HG22 VAL A 58 7.518 6.733 -12.865 1.00 14.23 H new ATOM 0 HG23 VAL A 58 6.752 8.187 -12.184 1.00 14.23 H new ATOM 914 N GLY A 59 3.975 3.926 -11.371 1.00 11.24 N ATOM 915 CA GLY A 59 3.183 2.987 -10.598 1.00 73.25 C ATOM 916 C GLY A 59 1.793 2.791 -11.172 1.00 44.23 C ATOM 917 O GLY A 59 1.213 1.712 -11.056 1.00 72.21 O ATOM 0 H GLY A 59 4.286 3.580 -12.279 1.00 11.24 H new ATOM 0 HA2 GLY A 59 3.697 2.026 -10.562 1.00 73.25 H new ATOM 0 HA3 GLY A 59 3.102 3.344 -9.571 1.00 73.25 H new ATOM 921 N ASP A 60 1.258 3.837 -11.792 1.00 2.43 N ATOM 922 CA ASP A 60 -0.072 3.776 -12.385 1.00 54.23 C ATOM 923 C ASP A 60 -0.136 2.702 -13.467 1.00 11.13 C ATOM 924 O ASP A 60 0.889 2.155 -13.874 1.00 42.40 O ATOM 925 CB ASP A 60 -0.454 5.135 -12.975 1.00 70.32 C ATOM 926 CG ASP A 60 -0.889 6.126 -11.913 1.00 64.42 C ATOM 927 OD1 ASP A 60 -1.028 5.716 -10.742 1.00 4.21 O ATOM 928 OD2 ASP A 60 -1.090 7.310 -12.254 1.00 15.24 O ATOM 0 H ASP A 60 1.725 4.737 -11.897 1.00 2.43 H new ATOM 0 HA ASP A 60 -0.782 3.517 -11.599 1.00 54.23 H new ATOM 0 HB2 ASP A 60 0.397 5.543 -13.521 1.00 70.32 H new ATOM 0 HB3 ASP A 60 -1.261 5.001 -13.695 1.00 70.32 H new ATOM 933 N TYR A 61 -1.346 2.404 -13.927 1.00 10.13 N ATOM 934 CA TYR A 61 -1.544 1.393 -14.958 1.00 61.13 C ATOM 935 C TYR A 61 -2.419 1.930 -16.087 1.00 45.01 C ATOM 936 O TYR A 61 -3.277 2.787 -15.870 1.00 23.41 O ATOM 937 CB TYR A 61 -2.181 0.139 -14.357 1.00 62.22 C ATOM 938 CG TYR A 61 -1.403 -0.438 -13.196 1.00 12.02 C ATOM 939 CD1 TYR A 61 -1.636 -0.006 -11.896 1.00 34.43 C ATOM 940 CD2 TYR A 61 -0.435 -1.413 -13.398 1.00 60.54 C ATOM 941 CE1 TYR A 61 -0.928 -0.530 -10.831 1.00 40.15 C ATOM 942 CE2 TYR A 61 0.277 -1.944 -12.340 1.00 41.31 C ATOM 943 CZ TYR A 61 0.027 -1.499 -11.059 1.00 3.43 C ATOM 944 OH TYR A 61 0.736 -2.023 -10.002 1.00 35.21 O ATOM 0 H TYR A 61 -2.205 2.849 -13.602 1.00 10.13 H new ATOM 0 HA TYR A 61 -0.568 1.135 -15.370 1.00 61.13 H new ATOM 0 HB2 TYR A 61 -3.191 0.379 -14.024 1.00 62.22 H new ATOM 0 HB3 TYR A 61 -2.274 -0.620 -15.134 1.00 62.22 H new ATOM 0 HD1 TYR A 61 -2.383 0.752 -11.715 1.00 34.43 H new ATOM 0 HD2 TYR A 61 -0.235 -1.762 -14.400 1.00 60.54 H new ATOM 0 HE1 TYR A 61 -1.121 -0.183 -9.827 1.00 40.15 H new ATOM 0 HE2 TYR A 61 1.025 -2.703 -12.515 1.00 41.31 H new ATOM 0 HH TYR A 61 1.368 -2.695 -10.333 1.00 35.21 H new ATOM 954 N LEU A 62 -2.195 1.420 -17.293 1.00 52.22 N ATOM 955 CA LEU A 62 -2.963 1.847 -18.458 1.00 64.23 C ATOM 956 C LEU A 62 -2.989 0.755 -19.523 1.00 23.42 C ATOM 957 O LEU A 62 -2.110 -0.106 -19.566 1.00 13.42 O ATOM 958 CB LEU A 62 -2.369 3.130 -19.042 1.00 53.14 C ATOM 959 CG LEU A 62 -0.846 3.167 -19.172 1.00 72.11 C ATOM 960 CD1 LEU A 62 -0.433 4.009 -20.369 1.00 4.10 C ATOM 961 CD2 LEU A 62 -0.215 3.704 -17.896 1.00 11.31 C ATOM 0 H LEU A 62 -1.489 0.711 -17.490 1.00 52.22 H new ATOM 0 HA LEU A 62 -3.987 2.041 -18.137 1.00 64.23 H new ATOM 0 HB2 LEU A 62 -2.802 3.290 -20.030 1.00 53.14 H new ATOM 0 HB3 LEU A 62 -2.681 3.968 -18.418 1.00 53.14 H new ATOM 0 HG LEU A 62 -0.489 2.149 -19.329 1.00 72.11 H new ATOM 0 HD11 LEU A 62 0.654 4.024 -20.446 1.00 4.10 H new ATOM 0 HD12 LEU A 62 -0.855 3.581 -21.278 1.00 4.10 H new ATOM 0 HD13 LEU A 62 -0.802 5.027 -20.242 1.00 4.10 H new ATOM 0 HD21 LEU A 62 0.869 3.723 -18.006 1.00 11.31 H new ATOM 0 HD22 LEU A 62 -0.579 4.714 -17.707 1.00 11.31 H new ATOM 0 HD23 LEU A 62 -0.483 3.060 -17.059 1.00 11.31 H new ATOM 973 N GLY A 63 -4.002 0.797 -20.383 1.00 12.25 N ATOM 974 CA GLY A 63 -4.123 -0.193 -21.437 1.00 4.32 C ATOM 975 C GLY A 63 -4.627 -1.527 -20.924 1.00 63.23 C ATOM 976 O GLY A 63 -4.688 -1.753 -19.716 1.00 4.45 O ATOM 0 H GLY A 63 -4.741 1.499 -20.368 1.00 12.25 H new ATOM 0 HA2 GLY A 63 -4.803 0.178 -22.204 1.00 4.32 H new ATOM 0 HA3 GLY A 63 -3.152 -0.333 -21.913 1.00 4.32 H new ATOM 980 N ARG A 64 -4.991 -2.414 -21.845 1.00 44.21 N ATOM 981 CA ARG A 64 -5.495 -3.732 -21.479 1.00 41.14 C ATOM 982 C ARG A 64 -4.345 -4.697 -21.206 1.00 33.15 C ATOM 983 O ARG A 64 -4.557 -5.808 -20.720 1.00 45.43 O ATOM 984 CB ARG A 64 -6.387 -4.287 -22.592 1.00 2.34 C ATOM 985 CG ARG A 64 -7.845 -3.876 -22.465 1.00 22.10 C ATOM 986 CD ARG A 64 -8.695 -4.493 -23.565 1.00 3.31 C ATOM 987 NE ARG A 64 -8.603 -5.950 -23.575 1.00 61.24 N ATOM 988 CZ ARG A 64 -9.299 -6.724 -24.400 1.00 74.51 C ATOM 989 NH1 ARG A 64 -10.134 -6.183 -25.277 1.00 20.24 N ATOM 990 NH2 ARG A 64 -9.161 -8.043 -24.349 1.00 73.22 N ATOM 0 H ARG A 64 -4.946 -2.244 -22.850 1.00 44.21 H new ATOM 0 HA ARG A 64 -6.084 -3.628 -20.568 1.00 41.14 H new ATOM 0 HB2 ARG A 64 -6.005 -3.948 -23.555 1.00 2.34 H new ATOM 0 HB3 ARG A 64 -6.323 -5.375 -22.589 1.00 2.34 H new ATOM 0 HG2 ARG A 64 -8.228 -4.184 -21.492 1.00 22.10 H new ATOM 0 HG3 ARG A 64 -7.923 -2.790 -22.509 1.00 22.10 H new ATOM 0 HD2 ARG A 64 -9.735 -4.196 -23.429 1.00 3.31 H new ATOM 0 HD3 ARG A 64 -8.376 -4.103 -24.532 1.00 3.31 H new ATOM 0 HE ARG A 64 -7.970 -6.398 -22.912 1.00 61.24 H new ATOM 0 HH11 ARG A 64 -10.243 -5.170 -25.319 1.00 20.24 H new ATOM 0 HH12 ARG A 64 -10.667 -6.780 -25.909 1.00 20.24 H new ATOM 0 HH21 ARG A 64 -8.520 -8.463 -23.676 1.00 73.22 H new ATOM 0 HH22 ARG A 64 -9.696 -8.637 -24.983 1.00 73.22 H new ATOM 1004 N ASN A 65 -3.129 -4.265 -21.521 1.00 4.21 N ATOM 1005 CA ASN A 65 -1.945 -5.091 -21.310 1.00 14.02 C ATOM 1006 C ASN A 65 -1.328 -4.817 -19.942 1.00 64.10 C ATOM 1007 O ASN A 65 -0.189 -5.202 -19.675 1.00 72.43 O ATOM 1008 CB ASN A 65 -0.914 -4.831 -22.409 1.00 44.03 C ATOM 1009 CG ASN A 65 -1.442 -5.169 -23.790 1.00 13.31 C ATOM 1010 OD1 ASN A 65 -1.388 -4.347 -24.705 1.00 73.55 O ATOM 1011 ND2 ASN A 65 -1.957 -6.383 -23.945 1.00 55.23 N ATOM 0 H ASN A 65 -2.937 -3.348 -21.923 1.00 4.21 H new ATOM 0 HA ASN A 65 -2.250 -6.137 -21.348 1.00 14.02 H new ATOM 0 HB2 ASN A 65 -0.617 -3.783 -22.383 1.00 44.03 H new ATOM 0 HB3 ASN A 65 -0.019 -5.421 -22.211 1.00 44.03 H new ATOM 0 HD21 ASN A 65 -2.329 -6.667 -24.851 1.00 55.23 H new ATOM 0 HD22 ASN A 65 -1.981 -7.031 -23.158 1.00 55.23 H new ATOM 1018 N ASP A 66 -2.086 -4.150 -19.079 1.00 72.13 N ATOM 1019 CA ASP A 66 -1.615 -3.826 -17.738 1.00 44.30 C ATOM 1020 C ASP A 66 -0.340 -2.990 -17.798 1.00 10.35 C ATOM 1021 O ASP A 66 0.614 -3.240 -17.062 1.00 72.30 O ATOM 1022 CB ASP A 66 -1.363 -5.106 -16.939 1.00 50.34 C ATOM 1023 CG ASP A 66 -2.642 -5.865 -16.645 1.00 3.14 C ATOM 1024 OD1 ASP A 66 -3.273 -5.582 -15.605 1.00 52.24 O ATOM 1025 OD2 ASP A 66 -3.011 -6.743 -17.453 1.00 5.02 O ATOM 0 H ASP A 66 -3.030 -3.823 -19.285 1.00 72.13 H new ATOM 0 HA ASP A 66 -2.389 -3.242 -17.239 1.00 44.30 H new ATOM 0 HB2 ASP A 66 -0.681 -5.750 -17.495 1.00 50.34 H new ATOM 0 HB3 ASP A 66 -0.869 -4.854 -16.000 1.00 50.34 H new ATOM 1030 N GLY A 67 -0.331 -1.995 -18.680 1.00 12.01 N ATOM 1031 CA GLY A 67 0.832 -1.138 -18.820 1.00 74.11 C ATOM 1032 C GLY A 67 1.124 -0.347 -17.561 1.00 13.52 C ATOM 1033 O GLY A 67 0.508 0.690 -17.313 1.00 12.32 O ATOM 0 H GLY A 67 -1.108 -1.767 -19.300 1.00 12.01 H new ATOM 0 HA2 GLY A 67 1.700 -1.747 -19.072 1.00 74.11 H new ATOM 0 HA3 GLY A 67 0.674 -0.449 -19.650 1.00 74.11 H new ATOM 1037 N LYS A 68 2.065 -0.836 -16.761 1.00 62.22 N ATOM 1038 CA LYS A 68 2.438 -0.169 -15.520 1.00 5.33 C ATOM 1039 C LYS A 68 3.602 0.791 -15.747 1.00 22.14 C ATOM 1040 O LYS A 68 4.666 0.392 -16.221 1.00 73.33 O ATOM 1041 CB LYS A 68 2.815 -1.201 -14.455 1.00 21.22 C ATOM 1042 CG LYS A 68 3.185 -0.587 -13.116 1.00 3.30 C ATOM 1043 CD LYS A 68 3.969 -1.561 -12.253 1.00 23.11 C ATOM 1044 CE LYS A 68 5.368 -1.792 -12.803 1.00 44.01 C ATOM 1045 NZ LYS A 68 6.187 -2.644 -11.897 1.00 21.01 N ATOM 0 H LYS A 68 2.584 -1.693 -16.951 1.00 62.22 H new ATOM 0 HA LYS A 68 1.579 0.405 -15.173 1.00 5.33 H new ATOM 0 HB2 LYS A 68 1.979 -1.885 -14.313 1.00 21.22 H new ATOM 0 HB3 LYS A 68 3.654 -1.794 -14.817 1.00 21.22 H new ATOM 0 HG2 LYS A 68 3.777 0.314 -13.279 1.00 3.30 H new ATOM 0 HG3 LYS A 68 2.279 -0.283 -12.592 1.00 3.30 H new ATOM 0 HD2 LYS A 68 4.036 -1.175 -11.236 1.00 23.11 H new ATOM 0 HD3 LYS A 68 3.437 -2.511 -12.199 1.00 23.11 H new ATOM 0 HE2 LYS A 68 5.299 -2.265 -13.783 1.00 44.01 H new ATOM 0 HE3 LYS A 68 5.865 -0.832 -12.946 1.00 44.01 H new ATOM 0 HZ1 LYS A 68 7.133 -2.778 -12.307 1.00 21.01 H new ATOM 0 HZ2 LYS A 68 6.274 -2.181 -10.970 1.00 21.01 H new ATOM 0 HZ3 LYS A 68 5.726 -3.569 -11.780 1.00 21.01 H new ATOM 1059 N VAL A 69 3.394 2.058 -15.403 1.00 2.10 N ATOM 1060 CA VAL A 69 4.427 3.074 -15.567 1.00 1.02 C ATOM 1061 C VAL A 69 5.621 2.795 -14.661 1.00 62.31 C ATOM 1062 O VAL A 69 5.462 2.538 -13.468 1.00 4.14 O ATOM 1063 CB VAL A 69 3.883 4.482 -15.261 1.00 11.13 C ATOM 1064 CG1 VAL A 69 4.946 5.536 -15.531 1.00 72.03 C ATOM 1065 CG2 VAL A 69 2.628 4.757 -16.076 1.00 63.31 C ATOM 0 H VAL A 69 2.520 2.405 -15.009 1.00 2.10 H new ATOM 0 HA VAL A 69 4.747 3.034 -16.608 1.00 1.02 H new ATOM 0 HB VAL A 69 3.620 4.529 -14.204 1.00 11.13 H new ATOM 0 HG11 VAL A 69 4.543 6.524 -15.309 1.00 72.03 H new ATOM 0 HG12 VAL A 69 5.814 5.348 -14.899 1.00 72.03 H new ATOM 0 HG13 VAL A 69 5.244 5.492 -16.579 1.00 72.03 H new ATOM 0 HG21 VAL A 69 2.257 5.756 -15.847 1.00 63.31 H new ATOM 0 HG22 VAL A 69 2.863 4.691 -17.138 1.00 63.31 H new ATOM 0 HG23 VAL A 69 1.864 4.021 -15.827 1.00 63.31 H new ATOM 1075 N VAL A 70 6.818 2.847 -15.236 1.00 64.25 N ATOM 1076 CA VAL A 70 8.041 2.601 -14.481 1.00 50.11 C ATOM 1077 C VAL A 70 8.982 3.798 -14.555 1.00 3.04 C ATOM 1078 O VAL A 70 9.737 4.066 -13.621 1.00 24.51 O ATOM 1079 CB VAL A 70 8.777 1.350 -14.997 1.00 4.44 C ATOM 1080 CG1 VAL A 70 7.851 0.144 -14.989 1.00 20.11 C ATOM 1081 CG2 VAL A 70 9.334 1.597 -16.391 1.00 35.11 C ATOM 0 H VAL A 70 6.967 3.057 -16.223 1.00 64.25 H new ATOM 0 HA VAL A 70 7.746 2.438 -13.444 1.00 50.11 H new ATOM 0 HB VAL A 70 9.612 1.140 -14.329 1.00 4.44 H new ATOM 0 HG11 VAL A 70 8.389 -0.730 -15.357 1.00 20.11 H new ATOM 0 HG12 VAL A 70 7.506 -0.043 -13.972 1.00 20.11 H new ATOM 0 HG13 VAL A 70 6.993 0.340 -15.633 1.00 20.11 H new ATOM 0 HG21 VAL A 70 9.851 0.703 -16.740 1.00 35.11 H new ATOM 0 HG22 VAL A 70 8.517 1.833 -17.073 1.00 35.11 H new ATOM 0 HG23 VAL A 70 10.034 2.432 -16.360 1.00 35.11 H new ATOM 1091 N GLY A 71 8.931 4.517 -15.672 1.00 63.42 N ATOM 1092 CA GLY A 71 9.784 5.678 -15.847 1.00 62.42 C ATOM 1093 C GLY A 71 9.100 6.789 -16.618 1.00 13.01 C ATOM 1094 O GLY A 71 8.308 6.528 -17.524 1.00 52.31 O ATOM 0 H GLY A 71 8.314 4.316 -16.459 1.00 63.42 H new ATOM 0 HA2 GLY A 71 10.088 6.052 -14.869 1.00 62.42 H new ATOM 0 HA3 GLY A 71 10.692 5.382 -16.372 1.00 62.42 H new ATOM 1098 N ILE A 72 9.403 8.031 -16.257 1.00 4.11 N ATOM 1099 CA ILE A 72 8.811 9.186 -16.921 1.00 30.41 C ATOM 1100 C ILE A 72 9.876 10.212 -17.293 1.00 74.11 C ATOM 1101 O ILE A 72 10.531 10.785 -16.423 1.00 52.40 O ATOM 1102 CB ILE A 72 7.750 9.862 -16.033 1.00 53.33 C ATOM 1103 CG1 ILE A 72 6.625 8.878 -15.705 1.00 23.03 C ATOM 1104 CG2 ILE A 72 7.194 11.099 -16.722 1.00 54.44 C ATOM 1105 CD1 ILE A 72 5.906 9.192 -14.412 1.00 11.33 C ATOM 0 H ILE A 72 10.055 8.264 -15.508 1.00 4.11 H new ATOM 0 HA ILE A 72 8.333 8.818 -17.829 1.00 30.41 H new ATOM 0 HB ILE A 72 8.221 10.170 -15.100 1.00 53.33 H new ATOM 0 HG12 ILE A 72 5.903 8.878 -16.522 1.00 23.03 H new ATOM 0 HG13 ILE A 72 7.039 7.872 -15.646 1.00 23.03 H new ATOM 0 HG21 ILE A 72 6.445 11.566 -16.082 1.00 54.44 H new ATOM 0 HG22 ILE A 72 8.003 11.805 -16.910 1.00 54.44 H new ATOM 0 HG23 ILE A 72 6.735 10.813 -17.668 1.00 54.44 H new ATOM 0 HD11 ILE A 72 5.122 8.454 -14.243 1.00 11.33 H new ATOM 0 HD12 ILE A 72 6.615 9.163 -13.585 1.00 11.33 H new ATOM 0 HD13 ILE A 72 5.462 10.185 -14.475 1.00 11.33 H new ATOM 1117 N SER A 73 10.041 10.440 -18.592 1.00 65.11 N ATOM 1118 CA SER A 73 11.028 11.396 -19.080 1.00 41.25 C ATOM 1119 C SER A 73 10.355 12.688 -19.534 1.00 34.04 C ATOM 1120 O SER A 73 9.168 12.900 -19.288 1.00 13.21 O ATOM 1121 CB SER A 73 11.827 10.791 -20.237 1.00 12.43 C ATOM 1122 OG SER A 73 12.127 9.428 -19.991 1.00 51.42 O ATOM 0 H SER A 73 9.504 9.976 -19.325 1.00 65.11 H new ATOM 0 HA SER A 73 11.708 11.629 -18.260 1.00 41.25 H new ATOM 0 HB2 SER A 73 11.258 10.880 -21.162 1.00 12.43 H new ATOM 0 HB3 SER A 73 12.752 11.351 -20.377 1.00 12.43 H new ATOM 0 HG SER A 73 12.879 9.152 -20.555 1.00 51.42 H new ATOM 1128 N GLU A 74 11.122 13.547 -20.196 1.00 43.34 N ATOM 1129 CA GLU A 74 10.600 14.819 -20.683 1.00 63.12 C ATOM 1130 C GLU A 74 10.051 14.675 -22.099 1.00 74.15 C ATOM 1131 O GLU A 74 9.226 15.474 -22.541 1.00 60.12 O ATOM 1132 CB GLU A 74 11.694 15.889 -20.655 1.00 72.21 C ATOM 1133 CG GLU A 74 12.930 15.517 -21.457 1.00 12.01 C ATOM 1134 CD GLU A 74 13.839 16.704 -21.711 1.00 71.32 C ATOM 1135 OE1 GLU A 74 13.399 17.651 -22.396 1.00 11.33 O ATOM 1136 OE2 GLU A 74 14.989 16.685 -21.227 1.00 5.14 O ATOM 0 H GLU A 74 12.107 13.386 -20.408 1.00 43.34 H new ATOM 0 HA GLU A 74 9.786 15.124 -20.025 1.00 63.12 H new ATOM 0 HB2 GLU A 74 11.287 16.823 -21.043 1.00 72.21 H new ATOM 0 HB3 GLU A 74 11.984 16.073 -19.621 1.00 72.21 H new ATOM 0 HG2 GLU A 74 13.486 14.746 -20.924 1.00 12.01 H new ATOM 0 HG3 GLU A 74 12.624 15.088 -22.411 1.00 12.01 H new ATOM 1143 N GLY A 75 10.515 13.649 -22.807 1.00 51.30 N ATOM 1144 CA GLY A 75 10.060 13.419 -24.166 1.00 21.13 C ATOM 1145 C GLY A 75 9.694 11.970 -24.417 1.00 32.44 C ATOM 1146 O GLY A 75 9.614 11.531 -25.564 1.00 72.03 O ATOM 0 H GLY A 75 11.198 12.973 -22.464 1.00 51.30 H new ATOM 0 HA2 GLY A 75 9.194 14.049 -24.368 1.00 21.13 H new ATOM 0 HA3 GLY A 75 10.842 13.719 -24.863 1.00 21.13 H new ATOM 1150 N LYS A 76 9.472 11.222 -23.341 1.00 1.23 N ATOM 1151 CA LYS A 76 9.113 9.813 -23.448 1.00 12.20 C ATOM 1152 C LYS A 76 8.680 9.257 -22.095 1.00 4.41 C ATOM 1153 O LYS A 76 8.998 9.826 -21.050 1.00 14.31 O ATOM 1154 CB LYS A 76 10.294 9.004 -23.990 1.00 14.42 C ATOM 1155 CG LYS A 76 11.566 9.166 -23.176 1.00 51.02 C ATOM 1156 CD LYS A 76 12.595 8.107 -23.534 1.00 31.32 C ATOM 1157 CE LYS A 76 12.260 6.767 -22.896 1.00 64.00 C ATOM 1158 NZ LYS A 76 13.244 5.714 -23.270 1.00 24.42 N ATOM 0 H LYS A 76 9.535 11.569 -22.384 1.00 1.23 H new ATOM 0 HA LYS A 76 8.275 9.729 -24.140 1.00 12.20 H new ATOM 0 HB2 LYS A 76 10.020 7.949 -24.015 1.00 14.42 H new ATOM 0 HB3 LYS A 76 10.490 9.307 -25.019 1.00 14.42 H new ATOM 0 HG2 LYS A 76 11.986 10.157 -23.349 1.00 51.02 H new ATOM 0 HG3 LYS A 76 11.330 9.101 -22.114 1.00 51.02 H new ATOM 0 HD2 LYS A 76 12.641 7.994 -24.617 1.00 31.32 H new ATOM 0 HD3 LYS A 76 13.582 8.431 -23.205 1.00 31.32 H new ATOM 0 HE2 LYS A 76 12.239 6.876 -21.812 1.00 64.00 H new ATOM 0 HE3 LYS A 76 11.262 6.457 -23.205 1.00 64.00 H new ATOM 0 HZ1 LYS A 76 13.073 4.861 -22.700 1.00 24.42 H new ATOM 0 HZ2 LYS A 76 13.139 5.484 -24.279 1.00 24.42 H new ATOM 0 HZ3 LYS A 76 14.208 6.061 -23.092 1.00 24.42 H new ATOM 1172 N ILE A 77 7.957 8.143 -22.122 1.00 12.31 N ATOM 1173 CA ILE A 77 7.484 7.510 -20.897 1.00 40.21 C ATOM 1174 C ILE A 77 7.705 6.002 -20.937 1.00 62.01 C ATOM 1175 O ILE A 77 7.117 5.300 -21.759 1.00 72.44 O ATOM 1176 CB ILE A 77 5.989 7.792 -20.658 1.00 51.44 C ATOM 1177 CG1 ILE A 77 5.700 9.288 -20.804 1.00 61.24 C ATOM 1178 CG2 ILE A 77 5.570 7.298 -19.282 1.00 11.42 C ATOM 1179 CD1 ILE A 77 6.387 10.141 -19.761 1.00 33.44 C ATOM 0 H ILE A 77 7.686 7.660 -22.978 1.00 12.31 H new ATOM 0 HA ILE A 77 8.061 7.938 -20.078 1.00 40.21 H new ATOM 0 HB ILE A 77 5.409 7.254 -21.408 1.00 51.44 H new ATOM 0 HG12 ILE A 77 6.015 9.616 -21.795 1.00 61.24 H new ATOM 0 HG13 ILE A 77 4.624 9.450 -20.742 1.00 61.24 H new ATOM 0 HG21 ILE A 77 4.511 7.505 -19.128 1.00 11.42 H new ATOM 0 HG22 ILE A 77 5.744 6.224 -19.212 1.00 11.42 H new ATOM 0 HG23 ILE A 77 6.154 7.811 -18.518 1.00 11.42 H new ATOM 0 HD11 ILE A 77 6.137 11.189 -19.926 1.00 33.44 H new ATOM 0 HD12 ILE A 77 6.053 9.840 -18.768 1.00 33.44 H new ATOM 0 HD13 ILE A 77 7.466 10.009 -19.836 1.00 33.44 H new ATOM 1191 N ASP A 78 8.556 5.510 -20.043 1.00 14.42 N ATOM 1192 CA ASP A 78 8.853 4.084 -19.973 1.00 53.44 C ATOM 1193 C ASP A 78 7.819 3.355 -19.121 1.00 60.21 C ATOM 1194 O ASP A 78 7.573 3.724 -17.973 1.00 1.51 O ATOM 1195 CB ASP A 78 10.253 3.861 -19.401 1.00 63.20 C ATOM 1196 CG ASP A 78 11.326 4.573 -20.201 1.00 2.21 C ATOM 1197 OD1 ASP A 78 11.612 5.750 -19.895 1.00 30.02 O ATOM 1198 OD2 ASP A 78 11.881 3.954 -21.133 1.00 34.25 O ATOM 0 H ASP A 78 9.052 6.078 -19.357 1.00 14.42 H new ATOM 0 HA ASP A 78 8.814 3.679 -20.984 1.00 53.44 H new ATOM 0 HB2 ASP A 78 10.281 4.211 -18.369 1.00 63.20 H new ATOM 0 HB3 ASP A 78 10.468 2.793 -19.381 1.00 63.20 H new ATOM 1203 N VAL A 79 7.215 2.317 -19.692 1.00 23.15 N ATOM 1204 CA VAL A 79 6.208 1.535 -18.985 1.00 10.15 C ATOM 1205 C VAL A 79 6.337 0.051 -19.308 1.00 64.00 C ATOM 1206 O VAL A 79 6.862 -0.322 -20.358 1.00 35.31 O ATOM 1207 CB VAL A 79 4.784 2.004 -19.338 1.00 11.04 C ATOM 1208 CG1 VAL A 79 4.654 3.508 -19.148 1.00 64.32 C ATOM 1209 CG2 VAL A 79 4.430 1.605 -20.762 1.00 42.44 C ATOM 0 H VAL A 79 7.406 1.999 -20.642 1.00 23.15 H new ATOM 0 HA VAL A 79 6.380 1.688 -17.919 1.00 10.15 H new ATOM 0 HB VAL A 79 4.081 1.515 -18.663 1.00 11.04 H new ATOM 0 HG11 VAL A 79 3.641 3.821 -19.402 1.00 64.32 H new ATOM 0 HG12 VAL A 79 4.862 3.763 -18.109 1.00 64.32 H new ATOM 0 HG13 VAL A 79 5.365 4.019 -19.797 1.00 64.32 H new ATOM 0 HG21 VAL A 79 3.421 1.944 -20.995 1.00 42.44 H new ATOM 0 HG22 VAL A 79 5.136 2.064 -21.455 1.00 42.44 H new ATOM 0 HG23 VAL A 79 4.480 0.520 -20.859 1.00 42.44 H new ATOM 1219 N ILE A 80 5.856 -0.791 -18.400 1.00 1.03 N ATOM 1220 CA ILE A 80 5.917 -2.235 -18.589 1.00 54.14 C ATOM 1221 C ILE A 80 4.558 -2.793 -19.000 1.00 41.23 C ATOM 1222 O ILE A 80 3.590 -2.712 -18.246 1.00 33.44 O ATOM 1223 CB ILE A 80 6.388 -2.952 -17.310 1.00 54.51 C ATOM 1224 CG1 ILE A 80 7.916 -2.974 -17.245 1.00 61.04 C ATOM 1225 CG2 ILE A 80 5.829 -4.366 -17.259 1.00 50.30 C ATOM 1226 CD1 ILE A 80 8.552 -3.871 -18.284 1.00 72.13 C ATOM 0 H ILE A 80 5.420 -0.498 -17.526 1.00 1.03 H new ATOM 0 HA ILE A 80 6.639 -2.419 -19.385 1.00 54.14 H new ATOM 0 HB ILE A 80 6.015 -2.404 -16.445 1.00 54.51 H new ATOM 0 HG12 ILE A 80 8.292 -1.959 -17.374 1.00 61.04 H new ATOM 0 HG13 ILE A 80 8.225 -3.305 -16.253 1.00 61.04 H new ATOM 0 HG21 ILE A 80 6.171 -4.860 -16.349 1.00 50.30 H new ATOM 0 HG22 ILE A 80 4.740 -4.327 -17.263 1.00 50.30 H new ATOM 0 HG23 ILE A 80 6.175 -4.926 -18.128 1.00 50.30 H new ATOM 0 HD11 ILE A 80 9.636 -3.837 -18.179 1.00 72.13 H new ATOM 0 HD12 ILE A 80 8.205 -4.895 -18.142 1.00 72.13 H new ATOM 0 HD13 ILE A 80 8.273 -3.528 -19.280 1.00 72.13 H new ATOM 1238 N GLU A 81 4.496 -3.360 -20.201 1.00 51.32 N ATOM 1239 CA GLU A 81 3.256 -3.932 -20.712 1.00 33.14 C ATOM 1240 C GLU A 81 3.314 -5.457 -20.697 1.00 12.11 C ATOM 1241 O GLU A 81 4.390 -6.046 -20.597 1.00 22.53 O ATOM 1242 CB GLU A 81 2.986 -3.435 -22.133 1.00 55.31 C ATOM 1243 CG GLU A 81 2.831 -1.926 -22.231 1.00 65.32 C ATOM 1244 CD GLU A 81 3.429 -1.361 -23.505 1.00 11.50 C ATOM 1245 OE1 GLU A 81 3.527 -2.110 -24.499 1.00 0.11 O ATOM 1246 OE2 GLU A 81 3.798 -0.167 -23.507 1.00 60.33 O ATOM 0 H GLU A 81 5.289 -3.435 -20.838 1.00 51.32 H new ATOM 0 HA GLU A 81 2.442 -3.610 -20.062 1.00 33.14 H new ATOM 0 HB2 GLU A 81 3.804 -3.751 -22.781 1.00 55.31 H new ATOM 0 HB3 GLU A 81 2.080 -3.910 -22.509 1.00 55.31 H new ATOM 0 HG2 GLU A 81 1.773 -1.669 -22.186 1.00 65.32 H new ATOM 0 HG3 GLU A 81 3.310 -1.458 -21.371 1.00 65.32 H new ATOM 1253 N ILE A 82 2.149 -6.088 -20.797 1.00 30.41 N ATOM 1254 CA ILE A 82 2.067 -7.544 -20.796 1.00 10.33 C ATOM 1255 C ILE A 82 1.591 -8.069 -22.146 1.00 41.40 C ATOM 1256 O ILE A 82 0.600 -7.589 -22.697 1.00 1.34 O ATOM 1257 CB ILE A 82 1.117 -8.053 -19.696 1.00 31.12 C ATOM 1258 CG1 ILE A 82 1.452 -7.394 -18.356 1.00 41.34 C ATOM 1259 CG2 ILE A 82 1.202 -9.568 -19.583 1.00 14.15 C ATOM 1260 CD1 ILE A 82 2.824 -7.756 -17.831 1.00 53.31 C ATOM 0 H ILE A 82 1.249 -5.615 -20.880 1.00 30.41 H new ATOM 0 HA ILE A 82 3.072 -7.917 -20.598 1.00 10.33 H new ATOM 0 HB ILE A 82 0.096 -7.784 -19.966 1.00 31.12 H new ATOM 0 HG12 ILE A 82 1.388 -6.312 -18.467 1.00 41.34 H new ATOM 0 HG13 ILE A 82 0.702 -7.684 -17.620 1.00 41.34 H new ATOM 0 HG21 ILE A 82 0.525 -9.913 -18.802 1.00 14.15 H new ATOM 0 HG22 ILE A 82 0.919 -10.020 -20.534 1.00 14.15 H new ATOM 0 HG23 ILE A 82 2.223 -9.857 -19.333 1.00 14.15 H new ATOM 0 HD11 ILE A 82 2.993 -7.253 -16.879 1.00 53.31 H new ATOM 0 HD12 ILE A 82 2.886 -8.835 -17.688 1.00 53.31 H new ATOM 0 HD13 ILE A 82 3.583 -7.441 -18.548 1.00 53.31 H new ATOM 1272 N VAL A 83 2.303 -9.059 -22.674 1.00 44.23 N ATOM 1273 CA VAL A 83 1.953 -9.652 -23.959 1.00 54.02 C ATOM 1274 C VAL A 83 2.102 -11.169 -23.923 1.00 41.34 C ATOM 1275 O VAL A 83 2.871 -11.723 -23.138 1.00 30.32 O ATOM 1276 CB VAL A 83 2.826 -9.088 -25.095 1.00 44.41 C ATOM 1277 CG1 VAL A 83 2.403 -7.668 -25.440 1.00 1.14 C ATOM 1278 CG2 VAL A 83 4.297 -9.136 -24.709 1.00 41.44 C ATOM 0 H VAL A 83 3.126 -9.468 -22.231 1.00 44.23 H new ATOM 0 HA VAL A 83 0.911 -9.396 -24.152 1.00 54.02 H new ATOM 0 HB VAL A 83 2.685 -9.708 -25.980 1.00 44.41 H new ATOM 0 HG11 VAL A 83 3.031 -7.287 -26.245 1.00 1.14 H new ATOM 0 HG12 VAL A 83 1.361 -7.667 -25.761 1.00 1.14 H new ATOM 0 HG13 VAL A 83 2.513 -7.032 -24.562 1.00 1.14 H new ATOM 0 HG21 VAL A 83 4.900 -8.734 -25.523 1.00 41.44 H new ATOM 0 HG22 VAL A 83 4.457 -8.540 -23.810 1.00 41.44 H new ATOM 0 HG23 VAL A 83 4.589 -10.168 -24.517 1.00 41.44 H new ATOM 1288 N PRO A 84 1.350 -11.858 -24.794 1.00 63.04 N ATOM 1289 CA PRO A 84 1.382 -13.321 -24.883 1.00 41.12 C ATOM 1290 C PRO A 84 2.696 -13.838 -25.458 1.00 24.43 C ATOM 1291 O PRO A 84 3.436 -13.097 -26.105 1.00 61.54 O ATOM 1292 CB PRO A 84 0.222 -13.644 -25.827 1.00 74.34 C ATOM 1293 CG PRO A 84 0.053 -12.417 -26.654 1.00 53.34 C ATOM 1294 CD PRO A 84 0.412 -11.262 -25.760 1.00 73.42 C ATOM 0 HA PRO A 84 1.296 -13.791 -23.903 1.00 41.12 H new ATOM 0 HB2 PRO A 84 0.446 -14.512 -26.447 1.00 74.34 H new ATOM 0 HB3 PRO A 84 -0.687 -13.876 -25.272 1.00 74.34 H new ATOM 0 HG2 PRO A 84 0.698 -12.446 -27.532 1.00 53.34 H new ATOM 0 HG3 PRO A 84 -0.972 -12.328 -27.015 1.00 53.34 H new ATOM 0 HD2 PRO A 84 0.874 -10.449 -26.320 1.00 73.42 H new ATOM 0 HD3 PRO A 84 -0.467 -10.849 -25.265 1.00 73.42 H new ATOM 1302 N ASP A 85 2.980 -15.114 -25.217 1.00 5.51 N ATOM 1303 CA ASP A 85 4.206 -15.731 -25.712 1.00 55.41 C ATOM 1304 C ASP A 85 3.947 -16.485 -27.012 1.00 73.42 C ATOM 1305 O ASP A 85 4.599 -16.238 -28.026 1.00 33.22 O ATOM 1306 CB ASP A 85 4.783 -16.681 -24.662 1.00 64.24 C ATOM 1307 CG ASP A 85 5.752 -15.988 -23.725 1.00 24.23 C ATOM 1308 OD1 ASP A 85 5.490 -14.825 -23.353 1.00 52.12 O ATOM 1309 OD2 ASP A 85 6.773 -16.609 -23.362 1.00 32.33 O ATOM 0 H ASP A 85 2.378 -15.741 -24.682 1.00 5.51 H new ATOM 0 HA ASP A 85 4.929 -14.940 -25.910 1.00 55.41 H new ATOM 0 HB2 ASP A 85 3.968 -17.115 -24.082 1.00 64.24 H new ATOM 0 HB3 ASP A 85 5.292 -17.505 -25.162 1.00 64.24 H new ATOM 1314 N GLY A 86 2.990 -17.408 -26.975 1.00 23.54 N ATOM 1315 CA GLY A 86 2.663 -18.186 -28.155 1.00 61.14 C ATOM 1316 C GLY A 86 1.854 -19.425 -27.828 1.00 23.54 C ATOM 1317 O GLY A 86 1.129 -19.943 -28.676 1.00 41.04 O ATOM 0 H GLY A 86 2.436 -17.630 -26.148 1.00 23.54 H new ATOM 0 HA2 GLY A 86 2.102 -17.564 -28.853 1.00 61.14 H new ATOM 0 HA3 GLY A 86 3.584 -18.480 -28.659 1.00 61.14 H new ATOM 1321 N GLU A 87 1.980 -19.903 -26.593 1.00 62.24 N ATOM 1322 CA GLU A 87 1.256 -21.092 -26.157 1.00 42.54 C ATOM 1323 C GLU A 87 0.058 -20.712 -25.292 1.00 51.33 C ATOM 1324 O GLU A 87 -0.942 -21.427 -25.248 1.00 63.55 O ATOM 1325 CB GLU A 87 2.186 -22.025 -25.379 1.00 74.21 C ATOM 1326 CG GLU A 87 3.567 -22.161 -25.996 1.00 65.41 C ATOM 1327 CD GLU A 87 3.534 -22.818 -27.363 1.00 1.24 C ATOM 1328 OE1 GLU A 87 2.587 -23.588 -27.627 1.00 51.33 O ATOM 1329 OE2 GLU A 87 4.454 -22.562 -28.167 1.00 24.21 O ATOM 0 H GLU A 87 2.576 -19.486 -25.878 1.00 62.24 H new ATOM 0 HA GLU A 87 0.892 -21.611 -27.044 1.00 42.54 H new ATOM 0 HB2 GLU A 87 2.288 -21.655 -24.359 1.00 74.21 H new ATOM 0 HB3 GLU A 87 1.727 -23.012 -25.316 1.00 74.21 H new ATOM 0 HG2 GLU A 87 4.021 -21.174 -26.083 1.00 65.41 H new ATOM 0 HG3 GLU A 87 4.202 -22.747 -25.331 1.00 65.41 H new ATOM 1336 N GLY A 88 0.167 -19.579 -24.604 1.00 63.21 N ATOM 1337 CA GLY A 88 -0.913 -19.124 -23.749 1.00 1.42 C ATOM 1338 C GLY A 88 -0.415 -18.317 -22.566 1.00 21.22 C ATOM 1339 O GLY A 88 -1.187 -17.612 -21.918 1.00 31.23 O ATOM 0 H GLY A 88 0.984 -18.969 -24.624 1.00 63.21 H new ATOM 0 HA2 GLY A 88 -1.604 -18.517 -24.334 1.00 1.42 H new ATOM 0 HA3 GLY A 88 -1.473 -19.986 -23.387 1.00 1.42 H new ATOM 1343 N ASN A 89 0.879 -18.423 -22.283 1.00 4.55 N ATOM 1344 CA ASN A 89 1.479 -17.699 -21.168 1.00 1.45 C ATOM 1345 C ASN A 89 1.814 -16.265 -21.567 1.00 41.20 C ATOM 1346 O ASN A 89 2.029 -15.972 -22.743 1.00 50.32 O ATOM 1347 CB ASN A 89 2.743 -18.415 -20.688 1.00 43.03 C ATOM 1348 CG ASN A 89 3.952 -18.091 -21.546 1.00 35.14 C ATOM 1349 OD1 ASN A 89 4.600 -17.061 -21.361 1.00 32.04 O ATOM 1350 ND2 ASN A 89 4.260 -18.972 -22.490 1.00 74.13 N ATOM 0 H ASN A 89 1.532 -19.003 -22.810 1.00 4.55 H new ATOM 0 HA ASN A 89 0.754 -17.671 -20.354 1.00 1.45 H new ATOM 0 HB2 ASN A 89 2.947 -18.132 -19.655 1.00 43.03 H new ATOM 0 HB3 ASN A 89 2.573 -19.492 -20.696 1.00 43.03 H new ATOM 0 HD21 ASN A 89 5.062 -18.808 -23.098 1.00 74.13 H new ATOM 0 HD22 ASN A 89 3.694 -19.813 -22.607 1.00 74.13 H new ATOM 1357 N TRP A 90 1.857 -15.377 -20.581 1.00 0.34 N ATOM 1358 CA TRP A 90 2.167 -13.973 -20.829 1.00 74.11 C ATOM 1359 C TRP A 90 3.586 -13.641 -20.382 1.00 60.42 C ATOM 1360 O TRP A 90 4.219 -14.417 -19.664 1.00 52.05 O ATOM 1361 CB TRP A 90 1.166 -13.073 -20.102 1.00 42.35 C ATOM 1362 CG TRP A 90 -0.261 -13.361 -20.459 1.00 23.44 C ATOM 1363 CD1 TRP A 90 -1.054 -14.342 -19.935 1.00 22.11 C ATOM 1364 CD2 TRP A 90 -1.062 -12.664 -21.418 1.00 55.10 C ATOM 1365 NE1 TRP A 90 -2.300 -14.296 -20.511 1.00 34.30 N ATOM 1366 CE2 TRP A 90 -2.332 -13.275 -21.423 1.00 64.14 C ATOM 1367 CE3 TRP A 90 -0.833 -11.582 -22.271 1.00 43.54 C ATOM 1368 CZ2 TRP A 90 -3.364 -12.839 -22.250 1.00 21.32 C ATOM 1369 CZ3 TRP A 90 -1.858 -11.150 -23.091 1.00 71.33 C ATOM 1370 CH2 TRP A 90 -3.111 -11.778 -23.075 1.00 51.43 C ATOM 0 H TRP A 90 1.681 -15.604 -19.602 1.00 0.34 H new ATOM 0 HA TRP A 90 2.094 -13.794 -21.902 1.00 74.11 H new ATOM 0 HB2 TRP A 90 1.295 -13.193 -19.026 1.00 42.35 H new ATOM 0 HB3 TRP A 90 1.388 -12.032 -20.336 1.00 42.35 H new ATOM 0 HD1 TRP A 90 -0.747 -15.050 -19.179 1.00 22.11 H new ATOM 0 HE1 TRP A 90 -3.076 -14.921 -20.294 1.00 34.30 H new ATOM 0 HE3 TRP A 90 0.129 -11.091 -22.289 1.00 43.54 H new ATOM 0 HZ2 TRP A 90 -4.330 -13.322 -22.240 1.00 21.32 H new ATOM 0 HZ3 TRP A 90 -1.691 -10.315 -23.755 1.00 71.33 H new ATOM 0 HH2 TRP A 90 -3.892 -11.417 -23.727 1.00 51.43 H new ATOM 1381 N LEU A 91 4.081 -12.485 -20.810 1.00 63.41 N ATOM 1382 CA LEU A 91 5.427 -12.051 -20.453 1.00 43.22 C ATOM 1383 C LEU A 91 5.510 -10.529 -20.394 1.00 4.11 C ATOM 1384 O LEU A 91 4.640 -9.830 -20.911 1.00 73.13 O ATOM 1385 CB LEU A 91 6.443 -12.589 -21.462 1.00 72.44 C ATOM 1386 CG LEU A 91 7.177 -13.868 -21.058 1.00 70.45 C ATOM 1387 CD1 LEU A 91 8.115 -14.319 -22.168 1.00 11.53 C ATOM 1388 CD2 LEU A 91 7.945 -13.656 -19.762 1.00 14.12 C ATOM 0 H LEU A 91 3.571 -11.832 -21.404 1.00 63.41 H new ATOM 0 HA LEU A 91 5.660 -12.449 -19.465 1.00 43.22 H new ATOM 0 HB2 LEU A 91 5.927 -12.772 -22.404 1.00 72.44 H new ATOM 0 HB3 LEU A 91 7.184 -11.812 -21.650 1.00 72.44 H new ATOM 0 HG LEU A 91 6.437 -14.652 -20.894 1.00 70.45 H new ATOM 0 HD11 LEU A 91 8.629 -15.231 -21.862 1.00 11.53 H new ATOM 0 HD12 LEU A 91 7.540 -14.513 -23.074 1.00 11.53 H new ATOM 0 HD13 LEU A 91 8.849 -13.537 -22.364 1.00 11.53 H new ATOM 0 HD21 LEU A 91 8.461 -14.577 -19.490 1.00 14.12 H new ATOM 0 HD22 LEU A 91 8.675 -12.858 -19.898 1.00 14.12 H new ATOM 0 HD23 LEU A 91 7.250 -13.381 -18.968 1.00 14.12 H new ATOM 1400 N GLU A 92 6.565 -10.023 -19.761 1.00 54.03 N ATOM 1401 CA GLU A 92 6.761 -8.584 -19.636 1.00 42.54 C ATOM 1402 C GLU A 92 7.228 -7.981 -20.959 1.00 35.33 C ATOM 1403 O GLU A 92 7.833 -8.664 -21.785 1.00 34.50 O ATOM 1404 CB GLU A 92 7.781 -8.279 -18.537 1.00 21.30 C ATOM 1405 CG GLU A 92 9.168 -8.828 -18.825 1.00 23.43 C ATOM 1406 CD GLU A 92 9.392 -10.198 -18.213 1.00 3.55 C ATOM 1407 OE1 GLU A 92 8.853 -10.453 -17.116 1.00 31.12 O ATOM 1408 OE2 GLU A 92 10.107 -11.014 -18.831 1.00 44.52 O ATOM 0 H GLU A 92 7.295 -10.588 -19.328 1.00 54.03 H new ATOM 0 HA GLU A 92 5.804 -8.135 -19.369 1.00 42.54 H new ATOM 0 HB2 GLU A 92 7.847 -7.199 -18.404 1.00 21.30 H new ATOM 0 HB3 GLU A 92 7.423 -8.695 -17.595 1.00 21.30 H new ATOM 0 HG2 GLU A 92 9.314 -8.888 -19.903 1.00 23.43 H new ATOM 0 HG3 GLU A 92 9.916 -8.135 -18.440 1.00 23.43 H new ATOM 1415 N ARG A 93 6.941 -6.698 -21.151 1.00 52.13 N ATOM 1416 CA ARG A 93 7.329 -6.004 -22.373 1.00 54.52 C ATOM 1417 C ARG A 93 7.660 -4.542 -22.086 1.00 24.10 C ATOM 1418 O ARG A 93 6.793 -3.669 -22.101 1.00 11.54 O ATOM 1419 CB ARG A 93 6.208 -6.089 -23.411 1.00 41.21 C ATOM 1420 CG ARG A 93 6.701 -6.012 -24.847 1.00 32.50 C ATOM 1421 CD ARG A 93 5.613 -5.509 -25.783 1.00 62.42 C ATOM 1422 NE ARG A 93 6.053 -5.496 -27.176 1.00 10.33 N ATOM 1423 CZ ARG A 93 6.225 -6.594 -27.903 1.00 1.11 C ATOM 1424 NH1 ARG A 93 5.995 -7.787 -27.372 1.00 63.04 N ATOM 1425 NH2 ARG A 93 6.627 -6.500 -29.164 1.00 5.22 N ATOM 0 H ARG A 93 6.442 -6.118 -20.477 1.00 52.13 H new ATOM 0 HA ARG A 93 8.220 -6.490 -22.770 1.00 54.52 H new ATOM 0 HB2 ARG A 93 5.665 -7.024 -23.272 1.00 41.21 H new ATOM 0 HB3 ARG A 93 5.499 -5.280 -23.235 1.00 41.21 H new ATOM 0 HG2 ARG A 93 7.564 -5.349 -24.901 1.00 32.50 H new ATOM 0 HG3 ARG A 93 7.035 -6.998 -25.172 1.00 32.50 H new ATOM 0 HD2 ARG A 93 4.731 -6.142 -25.687 1.00 62.42 H new ATOM 0 HD3 ARG A 93 5.317 -4.503 -25.487 1.00 62.42 H new ATOM 0 HE ARG A 93 6.238 -4.594 -27.614 1.00 10.33 H new ATOM 0 HH11 ARG A 93 5.685 -7.863 -26.403 1.00 63.04 H new ATOM 0 HH12 ARG A 93 6.128 -8.629 -27.932 1.00 63.04 H new ATOM 0 HH21 ARG A 93 6.804 -5.584 -29.576 1.00 5.22 H new ATOM 0 HH22 ARG A 93 6.759 -7.344 -29.722 1.00 5.22 H new ATOM 1439 N PRO A 94 8.946 -4.268 -21.818 1.00 32.52 N ATOM 1440 CA PRO A 94 9.422 -2.914 -21.522 1.00 52.11 C ATOM 1441 C PRO A 94 9.382 -2.005 -22.746 1.00 71.31 C ATOM 1442 O PRO A 94 10.230 -2.105 -23.633 1.00 71.50 O ATOM 1443 CB PRO A 94 10.867 -3.137 -21.069 1.00 13.25 C ATOM 1444 CG PRO A 94 11.275 -4.414 -21.718 1.00 32.02 C ATOM 1445 CD PRO A 94 10.034 -5.260 -21.783 1.00 73.42 C ATOM 0 HA PRO A 94 8.799 -2.417 -20.778 1.00 52.11 H new ATOM 0 HB2 PRO A 94 11.510 -2.313 -21.378 1.00 13.25 H new ATOM 0 HB3 PRO A 94 10.935 -3.205 -19.983 1.00 13.25 H new ATOM 0 HG2 PRO A 94 11.677 -4.234 -22.715 1.00 32.02 H new ATOM 0 HG3 PRO A 94 12.057 -4.911 -21.144 1.00 32.02 H new ATOM 0 HD2 PRO A 94 10.027 -5.896 -22.669 1.00 73.42 H new ATOM 0 HD3 PRO A 94 9.950 -5.918 -20.918 1.00 73.42 H new ATOM 1453 N ARG A 95 8.392 -1.119 -22.787 1.00 64.15 N ATOM 1454 CA ARG A 95 8.242 -0.193 -23.904 1.00 22.24 C ATOM 1455 C ARG A 95 8.261 1.253 -23.417 1.00 20.23 C ATOM 1456 O ARG A 95 7.990 1.528 -22.248 1.00 55.41 O ATOM 1457 CB ARG A 95 6.939 -0.473 -24.654 1.00 51.11 C ATOM 1458 CG ARG A 95 7.040 -1.624 -25.641 1.00 74.33 C ATOM 1459 CD ARG A 95 7.478 -1.143 -27.016 1.00 21.14 C ATOM 1460 NE ARG A 95 6.501 -0.238 -27.616 1.00 25.30 N ATOM 1461 CZ ARG A 95 5.344 -0.641 -28.127 1.00 74.34 C ATOM 1462 NH1 ARG A 95 5.019 -1.927 -28.111 1.00 3.21 N ATOM 1463 NH2 ARG A 95 4.507 0.243 -28.656 1.00 61.54 N ATOM 0 H ARG A 95 7.682 -1.023 -22.061 1.00 64.15 H new ATOM 0 HA ARG A 95 9.082 -0.341 -24.582 1.00 22.24 H new ATOM 0 HB2 ARG A 95 6.154 -0.693 -23.931 1.00 51.11 H new ATOM 0 HB3 ARG A 95 6.637 0.427 -25.189 1.00 51.11 H new ATOM 0 HG2 ARG A 95 7.751 -2.362 -25.269 1.00 74.33 H new ATOM 0 HG3 ARG A 95 6.074 -2.123 -25.720 1.00 74.33 H new ATOM 0 HD2 ARG A 95 8.439 -0.636 -26.933 1.00 21.14 H new ATOM 0 HD3 ARG A 95 7.626 -2.002 -27.670 1.00 21.14 H new ATOM 0 HE ARG A 95 6.720 0.758 -27.644 1.00 25.30 H new ATOM 0 HH11 ARG A 95 5.659 -2.610 -27.705 1.00 3.21 H new ATOM 0 HH12 ARG A 95 4.129 -2.233 -28.505 1.00 3.21 H new ATOM 0 HH21 ARG A 95 4.753 1.233 -28.670 1.00 61.54 H new ATOM 0 HH22 ARG A 95 3.618 -0.068 -29.048 1.00 61.54 H new ATOM 1477 N SER A 96 8.584 2.172 -24.321 1.00 11.12 N ATOM 1478 CA SER A 96 8.642 3.589 -23.983 1.00 5.34 C ATOM 1479 C SER A 96 7.847 4.420 -24.985 1.00 12.34 C ATOM 1480 O SER A 96 8.114 4.388 -26.187 1.00 1.34 O ATOM 1481 CB SER A 96 10.095 4.067 -23.946 1.00 45.05 C ATOM 1482 OG SER A 96 10.992 2.987 -24.139 1.00 63.11 O ATOM 0 H SER A 96 8.810 1.961 -25.293 1.00 11.12 H new ATOM 0 HA SER A 96 8.198 3.720 -22.996 1.00 5.34 H new ATOM 0 HB2 SER A 96 10.254 4.818 -24.719 1.00 45.05 H new ATOM 0 HB3 SER A 96 10.299 4.547 -22.989 1.00 45.05 H new ATOM 0 HG SER A 96 11.914 3.319 -24.113 1.00 63.11 H new ATOM 1488 N LEU A 97 6.868 5.164 -24.481 1.00 73.24 N ATOM 1489 CA LEU A 97 6.031 6.005 -25.331 1.00 64.41 C ATOM 1490 C LEU A 97 6.659 7.382 -25.521 1.00 32.13 C ATOM 1491 O LEU A 97 6.637 8.217 -24.615 1.00 70.44 O ATOM 1492 CB LEU A 97 4.634 6.147 -24.724 1.00 44.05 C ATOM 1493 CG LEU A 97 3.994 4.859 -24.205 1.00 54.42 C ATOM 1494 CD1 LEU A 97 4.211 4.722 -22.706 1.00 62.44 C ATOM 1495 CD2 LEU A 97 2.508 4.832 -24.535 1.00 43.22 C ATOM 0 H LEU A 97 6.634 5.202 -23.489 1.00 73.24 H new ATOM 0 HA LEU A 97 5.949 5.526 -26.307 1.00 64.41 H new ATOM 0 HB2 LEU A 97 4.688 6.860 -23.901 1.00 44.05 H new ATOM 0 HB3 LEU A 97 3.975 6.579 -25.477 1.00 44.05 H new ATOM 0 HG LEU A 97 4.472 4.013 -24.700 1.00 54.42 H new ATOM 0 HD11 LEU A 97 3.749 3.800 -22.354 1.00 62.44 H new ATOM 0 HD12 LEU A 97 5.280 4.696 -22.494 1.00 62.44 H new ATOM 0 HD13 LEU A 97 3.760 5.572 -22.194 1.00 62.44 H new ATOM 0 HD21 LEU A 97 2.068 3.908 -24.158 1.00 43.22 H new ATOM 0 HD22 LEU A 97 2.016 5.685 -24.068 1.00 43.22 H new ATOM 0 HD23 LEU A 97 2.374 4.883 -25.616 1.00 43.22 H new ATOM 1507 N THR A 98 7.217 7.615 -26.705 1.00 35.31 N ATOM 1508 CA THR A 98 7.849 8.891 -27.014 1.00 70.32 C ATOM 1509 C THR A 98 6.807 9.966 -27.300 1.00 71.25 C ATOM 1510 O THR A 98 5.697 9.667 -27.744 1.00 21.15 O ATOM 1511 CB THR A 98 8.793 8.771 -28.226 1.00 34.12 C ATOM 1512 OG1 THR A 98 8.052 8.377 -29.386 1.00 61.14 O ATOM 1513 CG2 THR A 98 9.896 7.759 -27.954 1.00 50.55 C ATOM 0 H THR A 98 7.244 6.936 -27.466 1.00 35.31 H new ATOM 0 HA THR A 98 8.430 9.177 -26.137 1.00 70.32 H new ATOM 0 HB THR A 98 9.250 9.745 -28.401 1.00 34.12 H new ATOM 0 HG1 THR A 98 8.658 8.305 -30.152 1.00 61.14 H new ATOM 0 HG21 THR A 98 10.550 7.691 -28.823 1.00 50.55 H new ATOM 0 HG22 THR A 98 10.476 8.077 -27.088 1.00 50.55 H new ATOM 0 HG23 THR A 98 9.453 6.783 -27.756 1.00 50.55 H new ATOM 1521 N LEU A 99 7.170 11.218 -27.046 1.00 21.13 N ATOM 1522 CA LEU A 99 6.266 12.339 -27.277 1.00 51.10 C ATOM 1523 C LEU A 99 5.732 12.322 -28.706 1.00 12.03 C ATOM 1524 O LEU A 99 6.499 12.265 -29.667 1.00 5.34 O ATOM 1525 CB LEU A 99 6.983 13.663 -27.004 1.00 74.41 C ATOM 1526 CG LEU A 99 6.610 14.371 -25.701 1.00 41.45 C ATOM 1527 CD1 LEU A 99 7.388 15.670 -25.559 1.00 40.53 C ATOM 1528 CD2 LEU A 99 5.113 14.636 -25.648 1.00 35.24 C ATOM 0 H LEU A 99 8.084 11.483 -26.680 1.00 21.13 H new ATOM 0 HA LEU A 99 5.423 12.241 -26.592 1.00 51.10 H new ATOM 0 HB2 LEU A 99 8.057 13.477 -26.999 1.00 74.41 H new ATOM 0 HB3 LEU A 99 6.781 14.341 -27.833 1.00 74.41 H new ATOM 0 HG LEU A 99 6.873 13.720 -24.867 1.00 41.45 H new ATOM 0 HD11 LEU A 99 7.110 16.161 -24.626 1.00 40.53 H new ATOM 0 HD12 LEU A 99 8.457 15.455 -25.552 1.00 40.53 H new ATOM 0 HD13 LEU A 99 7.156 16.327 -26.397 1.00 40.53 H new ATOM 0 HD21 LEU A 99 4.866 15.140 -24.714 1.00 35.24 H new ATOM 0 HD22 LEU A 99 4.825 15.267 -26.489 1.00 35.24 H new ATOM 0 HD23 LEU A 99 4.574 13.690 -25.704 1.00 35.24 H new