USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 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 33 MET CE :methyl -107:sc= -2.75! (180deg=-7.08!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -64:sc= 0.887 USER MOD Single : A 38 SER OG : rot 170:sc= -3.11! USER MOD Single : A 39 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.6!) USER MOD Single : A 41 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.38) 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= -3.46 K(o=-3.5,f=-6.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 79:sc= 0.128 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000385) USER MOD Single : A 89 ASN : amide:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00136 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -14.099 3.755 -16.627 1.00 3.44 N ATOM 360 CA PHE A 22 -14.380 4.446 -17.880 1.00 1.34 C ATOM 361 C PHE A 22 -13.201 4.330 -18.842 1.00 32.55 C ATOM 362 O PHE A 22 -13.292 3.665 -19.875 1.00 3.31 O ATOM 363 CB PHE A 22 -14.692 5.921 -17.615 1.00 34.44 C ATOM 364 CG PHE A 22 -15.185 6.656 -18.828 1.00 10.41 C ATOM 365 CD1 PHE A 22 -16.289 6.201 -19.530 1.00 34.43 C ATOM 366 CD2 PHE A 22 -14.544 7.804 -19.266 1.00 72.01 C ATOM 367 CE1 PHE A 22 -16.744 6.875 -20.647 1.00 11.42 C ATOM 368 CE2 PHE A 22 -14.995 8.483 -20.382 1.00 43.34 C ATOM 369 CZ PHE A 22 -16.097 8.019 -21.073 1.00 21.20 C ATOM 0 HA PHE A 22 -15.249 3.974 -18.339 1.00 1.34 H new ATOM 0 HB2 PHE A 22 -15.443 5.990 -16.828 1.00 34.44 H new ATOM 0 HB3 PHE A 22 -13.794 6.413 -17.242 1.00 34.44 H new ATOM 0 HD1 PHE A 22 -16.800 5.309 -19.200 1.00 34.43 H new ATOM 0 HD2 PHE A 22 -13.682 8.172 -18.729 1.00 72.01 H new ATOM 0 HE1 PHE A 22 -17.605 6.508 -21.187 1.00 11.42 H new ATOM 0 HE2 PHE A 22 -14.486 9.376 -20.714 1.00 43.34 H new ATOM 0 HZ PHE A 22 -16.452 8.549 -21.944 1.00 21.20 H new ATOM 379 N LEU A 23 -12.096 4.980 -18.495 1.00 20.12 N ATOM 380 CA LEU A 23 -10.898 4.950 -19.327 1.00 10.41 C ATOM 381 C LEU A 23 -10.471 3.515 -19.616 1.00 74.15 C ATOM 382 O LEU A 23 -10.176 3.164 -20.758 1.00 43.12 O ATOM 383 CB LEU A 23 -9.758 5.705 -18.641 1.00 21.34 C ATOM 384 CG LEU A 23 -10.026 7.174 -18.314 1.00 52.31 C ATOM 385 CD1 LEU A 23 -10.994 7.777 -19.321 1.00 32.45 C ATOM 386 CD2 LEU A 23 -10.568 7.316 -16.899 1.00 74.22 C ATOM 0 H LEU A 23 -12.004 5.534 -17.644 1.00 20.12 H new ATOM 0 HA LEU A 23 -11.131 5.437 -20.274 1.00 10.41 H new ATOM 0 HB2 LEU A 23 -9.512 5.187 -17.714 1.00 21.34 H new ATOM 0 HB3 LEU A 23 -8.877 5.651 -19.280 1.00 21.34 H new ATOM 0 HG LEU A 23 -9.083 7.718 -18.376 1.00 52.31 H new ATOM 0 HD11 LEU A 23 -11.173 8.823 -19.072 1.00 32.45 H new ATOM 0 HD12 LEU A 23 -10.567 7.710 -20.322 1.00 32.45 H new ATOM 0 HD13 LEU A 23 -11.937 7.231 -19.292 1.00 32.45 H new ATOM 0 HD21 LEU A 23 -10.753 8.369 -16.684 1.00 74.22 H new ATOM 0 HD22 LEU A 23 -11.500 6.758 -16.809 1.00 74.22 H new ATOM 0 HD23 LEU A 23 -9.840 6.923 -16.189 1.00 74.22 H new ATOM 398 N GLU A 24 -10.444 2.689 -18.575 1.00 13.31 N ATOM 399 CA GLU A 24 -10.055 1.291 -18.719 1.00 13.41 C ATOM 400 C GLU A 24 -10.952 0.578 -19.726 1.00 74.03 C ATOM 401 O GLU A 24 -10.584 -0.458 -20.278 1.00 23.13 O ATOM 402 CB GLU A 24 -10.121 0.579 -17.366 1.00 70.35 C ATOM 403 CG GLU A 24 -8.788 0.530 -16.638 1.00 52.35 C ATOM 404 CD GLU A 24 -8.719 1.510 -15.483 1.00 44.13 C ATOM 405 OE1 GLU A 24 -8.764 2.732 -15.737 1.00 72.22 O ATOM 406 OE2 GLU A 24 -8.619 1.054 -14.325 1.00 3.32 O ATOM 0 H GLU A 24 -10.687 2.964 -17.623 1.00 13.31 H new ATOM 0 HA GLU A 24 -9.030 1.261 -19.088 1.00 13.41 H new ATOM 0 HB2 GLU A 24 -10.852 1.084 -16.734 1.00 70.35 H new ATOM 0 HB3 GLU A 24 -10.480 -0.439 -17.518 1.00 70.35 H new ATOM 0 HG2 GLU A 24 -8.619 -0.480 -16.264 1.00 52.35 H new ATOM 0 HG3 GLU A 24 -7.985 0.747 -17.342 1.00 52.35 H new ATOM 413 N GLY A 25 -12.134 1.141 -19.961 1.00 1.13 N ATOM 414 CA GLY A 25 -13.066 0.546 -20.900 1.00 71.23 C ATOM 415 C GLY A 25 -12.575 0.623 -22.332 1.00 42.01 C ATOM 416 O GLY A 25 -13.080 -0.079 -23.208 1.00 54.34 O ATOM 0 H GLY A 25 -12.462 1.999 -19.517 1.00 1.13 H new ATOM 0 HA2 GLY A 25 -13.231 -0.497 -20.631 1.00 71.23 H new ATOM 0 HA3 GLY A 25 -14.028 1.052 -20.822 1.00 71.23 H new ATOM 420 N PHE A 26 -11.587 1.479 -22.572 1.00 11.22 N ATOM 421 CA PHE A 26 -11.029 1.648 -23.908 1.00 61.24 C ATOM 422 C PHE A 26 -9.624 1.059 -23.989 1.00 64.02 C ATOM 423 O PHE A 26 -8.959 0.870 -22.971 1.00 71.33 O ATOM 424 CB PHE A 26 -10.996 3.130 -24.287 1.00 63.11 C ATOM 425 CG PHE A 26 -12.296 3.841 -24.042 1.00 21.43 C ATOM 426 CD1 PHE A 26 -12.585 4.373 -22.796 1.00 35.33 C ATOM 427 CD2 PHE A 26 -13.229 3.976 -25.057 1.00 42.22 C ATOM 428 CE1 PHE A 26 -13.781 5.028 -22.567 1.00 21.34 C ATOM 429 CE2 PHE A 26 -14.426 4.630 -24.834 1.00 44.42 C ATOM 430 CZ PHE A 26 -14.703 5.156 -23.587 1.00 64.31 C ATOM 0 H PHE A 26 -11.156 2.067 -21.858 1.00 11.22 H new ATOM 0 HA PHE A 26 -11.669 1.115 -24.612 1.00 61.24 H new ATOM 0 HB2 PHE A 26 -10.208 3.625 -23.719 1.00 63.11 H new ATOM 0 HB3 PHE A 26 -10.734 3.221 -25.341 1.00 63.11 H new ATOM 0 HD1 PHE A 26 -11.868 4.275 -21.994 1.00 35.33 H new ATOM 0 HD2 PHE A 26 -13.019 3.566 -26.034 1.00 42.22 H new ATOM 0 HE1 PHE A 26 -13.994 5.439 -21.591 1.00 21.34 H new ATOM 0 HE2 PHE A 26 -15.144 4.730 -25.634 1.00 44.42 H new ATOM 0 HZ PHE A 26 -15.638 5.666 -23.410 1.00 64.31 H new ATOM 440 N ASN A 27 -9.178 0.771 -25.208 1.00 12.01 N ATOM 441 CA ASN A 27 -7.852 0.202 -25.423 1.00 15.54 C ATOM 442 C ASN A 27 -6.764 1.184 -24.998 1.00 34.12 C ATOM 443 O ASN A 27 -7.023 2.375 -24.821 1.00 72.23 O ATOM 444 CB ASN A 27 -7.669 -0.175 -26.894 1.00 43.50 C ATOM 445 CG ASN A 27 -8.190 -1.564 -27.204 1.00 72.33 C ATOM 446 OD1 ASN A 27 -7.435 -2.536 -27.210 1.00 25.25 O ATOM 447 ND2 ASN A 27 -9.488 -1.664 -27.465 1.00 75.32 N ATOM 0 H ASN A 27 -9.715 0.922 -26.062 1.00 12.01 H new ATOM 0 HA ASN A 27 -7.765 -0.696 -24.812 1.00 15.54 H new ATOM 0 HB2 ASN A 27 -8.187 0.552 -27.520 1.00 43.50 H new ATOM 0 HB3 ASN A 27 -6.611 -0.121 -27.151 1.00 43.50 H new ATOM 0 HD21 ASN A 27 -9.896 -2.573 -27.682 1.00 75.32 H new ATOM 0 HD22 ASN A 27 -10.077 -0.831 -27.449 1.00 75.32 H new ATOM 454 N ILE A 28 -5.547 0.676 -24.836 1.00 74.30 N ATOM 455 CA ILE A 28 -4.420 1.508 -24.434 1.00 30.52 C ATOM 456 C ILE A 28 -3.792 2.201 -25.638 1.00 3.33 C ATOM 457 O ILE A 28 -3.247 3.298 -25.519 1.00 51.32 O ATOM 458 CB ILE A 28 -3.340 0.681 -23.710 1.00 54.15 C ATOM 459 CG1 ILE A 28 -2.192 1.586 -23.260 1.00 24.54 C ATOM 460 CG2 ILE A 28 -2.825 -0.427 -24.617 1.00 51.53 C ATOM 461 CD1 ILE A 28 -2.603 2.620 -22.236 1.00 12.13 C ATOM 0 H ILE A 28 -5.316 -0.308 -24.977 1.00 74.30 H new ATOM 0 HA ILE A 28 -4.811 2.260 -23.748 1.00 30.52 H new ATOM 0 HB ILE A 28 -3.784 0.223 -22.826 1.00 54.15 H new ATOM 0 HG12 ILE A 28 -1.396 0.969 -22.842 1.00 24.54 H new ATOM 0 HG13 ILE A 28 -1.778 2.094 -24.131 1.00 24.54 H new ATOM 0 HG21 ILE A 28 -2.063 -1.002 -24.092 1.00 51.53 H new ATOM 0 HG22 ILE A 28 -3.650 -1.084 -24.893 1.00 51.53 H new ATOM 0 HG23 ILE A 28 -2.393 0.011 -25.517 1.00 51.53 H new ATOM 0 HD11 ILE A 28 -1.739 3.226 -21.963 1.00 12.13 H new ATOM 0 HD12 ILE A 28 -3.377 3.261 -22.657 1.00 12.13 H new ATOM 0 HD13 ILE A 28 -2.990 2.119 -21.348 1.00 12.13 H new ATOM 473 N GLU A 29 -3.873 1.554 -26.796 1.00 52.10 N ATOM 474 CA GLU A 29 -3.313 2.110 -28.022 1.00 41.11 C ATOM 475 C GLU A 29 -4.117 3.321 -28.487 1.00 61.25 C ATOM 476 O GLU A 29 -3.597 4.198 -29.178 1.00 75.04 O ATOM 477 CB GLU A 29 -3.285 1.049 -29.124 1.00 20.43 C ATOM 478 CG GLU A 29 -4.665 0.636 -29.606 1.00 73.14 C ATOM 479 CD GLU A 29 -4.615 -0.210 -30.864 1.00 22.54 C ATOM 480 OE1 GLU A 29 -4.457 0.364 -31.961 1.00 2.53 O ATOM 481 OE2 GLU A 29 -4.733 -1.449 -30.750 1.00 11.44 O ATOM 0 H GLU A 29 -4.321 0.645 -26.911 1.00 52.10 H new ATOM 0 HA GLU A 29 -2.293 2.431 -27.812 1.00 41.11 H new ATOM 0 HB2 GLU A 29 -2.713 1.431 -29.970 1.00 20.43 H new ATOM 0 HB3 GLU A 29 -2.759 0.168 -28.755 1.00 20.43 H new ATOM 0 HG2 GLU A 29 -5.169 0.078 -28.817 1.00 73.14 H new ATOM 0 HG3 GLU A 29 -5.261 1.528 -29.796 1.00 73.14 H new ATOM 488 N THR A 30 -5.389 3.362 -28.104 1.00 74.33 N ATOM 489 CA THR A 30 -6.267 4.462 -28.483 1.00 5.33 C ATOM 490 C THR A 30 -5.885 5.745 -27.753 1.00 15.13 C ATOM 491 O THR A 30 -6.268 6.841 -28.162 1.00 14.41 O ATOM 492 CB THR A 30 -7.741 4.134 -28.184 1.00 34.43 C ATOM 493 OG1 THR A 30 -7.941 4.021 -26.770 1.00 54.52 O ATOM 494 CG2 THR A 30 -8.156 2.838 -28.864 1.00 63.40 C ATOM 0 H THR A 30 -5.835 2.645 -27.531 1.00 74.33 H new ATOM 0 HA THR A 30 -6.147 4.607 -29.557 1.00 5.33 H new ATOM 0 HB THR A 30 -8.357 4.944 -28.574 1.00 34.43 H new ATOM 0 HG1 THR A 30 -7.426 3.261 -26.426 1.00 54.52 H new ATOM 0 HG21 THR A 30 -9.201 2.627 -28.638 1.00 63.40 H new ATOM 0 HG22 THR A 30 -8.030 2.936 -29.942 1.00 63.40 H new ATOM 0 HG23 THR A 30 -7.534 2.020 -28.499 1.00 63.40 H new ATOM 502 N PHE A 31 -5.129 5.602 -26.670 1.00 24.42 N ATOM 503 CA PHE A 31 -4.696 6.750 -25.882 1.00 64.11 C ATOM 504 C PHE A 31 -3.366 7.293 -26.397 1.00 60.24 C ATOM 505 O PHE A 31 -2.578 6.564 -26.999 1.00 20.22 O ATOM 506 CB PHE A 31 -4.564 6.363 -24.407 1.00 54.35 C ATOM 507 CG PHE A 31 -5.840 5.844 -23.808 1.00 61.22 C ATOM 508 CD1 PHE A 31 -7.066 6.344 -24.215 1.00 73.24 C ATOM 509 CD2 PHE A 31 -5.813 4.856 -22.837 1.00 65.21 C ATOM 510 CE1 PHE A 31 -8.242 5.868 -23.666 1.00 60.32 C ATOM 511 CE2 PHE A 31 -6.985 4.376 -22.285 1.00 22.53 C ATOM 512 CZ PHE A 31 -8.201 4.883 -22.699 1.00 21.12 C ATOM 0 H PHE A 31 -4.803 4.702 -26.318 1.00 24.42 H new ATOM 0 HA PHE A 31 -5.450 7.531 -25.980 1.00 64.11 H new ATOM 0 HB2 PHE A 31 -3.789 5.603 -24.307 1.00 54.35 H new ATOM 0 HB3 PHE A 31 -4.233 7.233 -23.839 1.00 54.35 H new ATOM 0 HD1 PHE A 31 -7.104 7.115 -24.970 1.00 73.24 H new ATOM 0 HD2 PHE A 31 -4.865 4.457 -22.508 1.00 65.21 H new ATOM 0 HE1 PHE A 31 -9.191 6.266 -23.993 1.00 60.32 H new ATOM 0 HE2 PHE A 31 -6.950 3.605 -21.530 1.00 22.53 H new ATOM 0 HZ PHE A 31 -9.118 4.510 -22.267 1.00 21.12 H new ATOM 522 N GLU A 32 -3.125 8.578 -26.157 1.00 72.11 N ATOM 523 CA GLU A 32 -1.892 9.219 -26.598 1.00 61.22 C ATOM 524 C GLU A 32 -1.487 10.336 -25.641 1.00 2.01 C ATOM 525 O GLU A 32 -2.305 11.178 -25.271 1.00 21.40 O ATOM 526 CB GLU A 32 -2.060 9.780 -28.012 1.00 22.50 C ATOM 527 CG GLU A 32 -2.484 8.738 -29.033 1.00 73.15 C ATOM 528 CD GLU A 32 -2.258 9.195 -30.461 1.00 53.15 C ATOM 529 OE1 GLU A 32 -1.086 9.391 -30.844 1.00 1.43 O ATOM 530 OE2 GLU A 32 -3.255 9.356 -31.197 1.00 2.42 O ATOM 0 H GLU A 32 -3.767 9.195 -25.660 1.00 72.11 H new ATOM 0 HA GLU A 32 -1.104 8.466 -26.605 1.00 61.22 H new ATOM 0 HB2 GLU A 32 -2.801 10.579 -27.991 1.00 22.50 H new ATOM 0 HB3 GLU A 32 -1.118 10.227 -28.331 1.00 22.50 H new ATOM 0 HG2 GLU A 32 -1.929 7.816 -28.858 1.00 73.15 H new ATOM 0 HG3 GLU A 32 -3.540 8.506 -28.893 1.00 73.15 H new ATOM 537 N MET A 33 -0.219 10.336 -25.244 1.00 24.03 N ATOM 538 CA MET A 33 0.296 11.350 -24.330 1.00 73.41 C ATOM 539 C MET A 33 -0.037 12.752 -24.831 1.00 21.45 C ATOM 540 O MET A 33 0.358 13.139 -25.930 1.00 72.14 O ATOM 541 CB MET A 33 1.809 11.199 -24.167 1.00 45.33 C ATOM 542 CG MET A 33 2.452 12.332 -23.383 1.00 52.01 C ATOM 543 SD MET A 33 4.240 12.151 -23.240 1.00 41.13 S ATOM 544 CE MET A 33 4.618 13.446 -22.062 1.00 44.34 C ATOM 0 H MET A 33 0.471 9.646 -25.540 1.00 24.03 H new ATOM 0 HA MET A 33 -0.182 11.207 -23.361 1.00 73.41 H new ATOM 0 HB2 MET A 33 2.020 10.255 -23.664 1.00 45.33 H new ATOM 0 HB3 MET A 33 2.269 11.144 -25.154 1.00 45.33 H new ATOM 0 HG2 MET A 33 2.225 13.280 -23.870 1.00 52.01 H new ATOM 0 HG3 MET A 33 2.014 12.373 -22.386 1.00 52.01 H new ATOM 0 HE1 MET A 33 5.109 14.273 -22.575 1.00 44.34 H new ATOM 0 HE2 MET A 33 3.695 13.801 -21.603 1.00 44.34 H new ATOM 0 HE3 MET A 33 5.280 13.054 -21.290 1.00 44.34 H new ATOM 554 N VAL A 34 -0.766 13.509 -24.016 1.00 64.42 N ATOM 555 CA VAL A 34 -1.151 14.868 -24.376 1.00 64.13 C ATOM 556 C VAL A 34 -0.360 15.894 -23.572 1.00 52.13 C ATOM 557 O VAL A 34 -0.257 17.057 -23.961 1.00 24.30 O ATOM 558 CB VAL A 34 -2.656 15.104 -24.150 1.00 62.40 C ATOM 559 CG1 VAL A 34 -3.010 14.923 -22.682 1.00 1.53 C ATOM 560 CG2 VAL A 34 -3.057 16.487 -24.638 1.00 12.41 C ATOM 0 H VAL A 34 -1.101 13.204 -23.102 1.00 64.42 H new ATOM 0 HA VAL A 34 -0.927 14.990 -25.436 1.00 64.13 H new ATOM 0 HB VAL A 34 -3.213 14.365 -24.726 1.00 62.40 H new ATOM 0 HG11 VAL A 34 -4.077 15.094 -22.541 1.00 1.53 H new ATOM 0 HG12 VAL A 34 -2.760 13.909 -22.370 1.00 1.53 H new ATOM 0 HG13 VAL A 34 -2.446 15.637 -22.081 1.00 1.53 H new ATOM 0 HG21 VAL A 34 -4.124 16.637 -24.471 1.00 12.41 H new ATOM 0 HG22 VAL A 34 -2.494 17.243 -24.091 1.00 12.41 H new ATOM 0 HG23 VAL A 34 -2.841 16.574 -25.703 1.00 12.41 H new ATOM 570 N GLY A 35 0.197 15.455 -22.448 1.00 2.13 N ATOM 571 CA GLY A 35 0.972 16.348 -21.606 1.00 40.00 C ATOM 572 C GLY A 35 1.504 15.659 -20.365 1.00 60.01 C ATOM 573 O GLY A 35 1.225 14.483 -20.130 1.00 72.21 O ATOM 0 H GLY A 35 0.126 14.497 -22.105 1.00 2.13 H new ATOM 0 HA2 GLY A 35 1.806 16.751 -22.180 1.00 40.00 H new ATOM 0 HA3 GLY A 35 0.351 17.194 -21.310 1.00 40.00 H new ATOM 577 N THR A 36 2.275 16.392 -19.568 1.00 23.33 N ATOM 578 CA THR A 36 2.850 15.844 -18.346 1.00 23.41 C ATOM 579 C THR A 36 3.003 16.921 -17.278 1.00 74.03 C ATOM 580 O THR A 36 3.360 18.061 -17.579 1.00 24.25 O ATOM 581 CB THR A 36 4.225 15.202 -18.611 1.00 22.41 C ATOM 582 OG1 THR A 36 4.866 15.854 -19.713 1.00 23.12 O ATOM 583 CG2 THR A 36 4.081 13.717 -18.908 1.00 72.34 C ATOM 0 H THR A 36 2.516 17.367 -19.747 1.00 23.33 H new ATOM 0 HA THR A 36 2.161 15.078 -17.989 1.00 23.41 H new ATOM 0 HB THR A 36 4.835 15.320 -17.715 1.00 22.41 H new ATOM 0 HG1 THR A 36 5.740 15.441 -19.874 1.00 23.12 H new ATOM 0 HG21 THR A 36 5.065 13.286 -19.092 1.00 72.34 H new ATOM 0 HG22 THR A 36 3.620 13.218 -18.055 1.00 72.34 H new ATOM 0 HG23 THR A 36 3.455 13.581 -19.790 1.00 72.34 H new ATOM 591 N LEU A 37 2.730 16.554 -16.031 1.00 52.01 N ATOM 592 CA LEU A 37 2.837 17.490 -14.917 1.00 64.03 C ATOM 593 C LEU A 37 3.862 17.006 -13.896 1.00 71.22 C ATOM 594 O LEU A 37 3.946 15.813 -13.604 1.00 13.12 O ATOM 595 CB LEU A 37 1.476 17.671 -14.244 1.00 72.12 C ATOM 596 CG LEU A 37 1.356 18.850 -13.278 1.00 51.44 C ATOM 597 CD1 LEU A 37 2.044 18.533 -11.960 1.00 20.21 C ATOM 598 CD2 LEU A 37 1.943 20.110 -13.899 1.00 23.40 C ATOM 0 H LEU A 37 2.433 15.615 -15.766 1.00 52.01 H new ATOM 0 HA LEU A 37 3.170 18.450 -15.312 1.00 64.03 H new ATOM 0 HB2 LEU A 37 0.721 17.786 -15.022 1.00 72.12 H new ATOM 0 HB3 LEU A 37 1.237 16.757 -13.701 1.00 72.12 H new ATOM 0 HG LEU A 37 0.299 19.025 -13.079 1.00 51.44 H new ATOM 0 HD11 LEU A 37 1.948 19.384 -11.286 1.00 20.21 H new ATOM 0 HD12 LEU A 37 1.578 17.657 -11.508 1.00 20.21 H new ATOM 0 HD13 LEU A 37 3.100 18.330 -12.140 1.00 20.21 H new ATOM 0 HD21 LEU A 37 1.849 20.939 -13.198 1.00 23.40 H new ATOM 0 HD22 LEU A 37 2.996 19.946 -14.128 1.00 23.40 H new ATOM 0 HD23 LEU A 37 1.405 20.348 -14.816 1.00 23.40 H new ATOM 610 N SER A 38 4.638 17.940 -13.356 1.00 31.25 N ATOM 611 CA SER A 38 5.658 17.608 -12.368 1.00 1.22 C ATOM 612 C SER A 38 5.875 18.768 -11.400 1.00 72.14 C ATOM 613 O SER A 38 6.212 19.878 -11.810 1.00 74.34 O ATOM 614 CB SER A 38 6.975 17.256 -13.062 1.00 71.33 C ATOM 615 OG SER A 38 7.356 15.919 -12.785 1.00 10.33 O ATOM 0 H SER A 38 4.580 18.932 -13.586 1.00 31.25 H new ATOM 0 HA SER A 38 5.312 16.744 -11.801 1.00 1.22 H new ATOM 0 HB2 SER A 38 6.870 17.392 -14.138 1.00 71.33 H new ATOM 0 HB3 SER A 38 7.758 17.937 -12.729 1.00 71.33 H new ATOM 0 HG SER A 38 8.107 15.667 -13.362 1.00 10.33 H new ATOM 621 N ASN A 39 5.679 18.501 -10.113 1.00 75.12 N ATOM 622 CA ASN A 39 5.852 19.522 -9.086 1.00 34.40 C ATOM 623 C ASN A 39 6.254 18.892 -7.756 1.00 21.01 C ATOM 624 O ASN A 39 6.491 17.687 -7.674 1.00 45.35 O ATOM 625 CB ASN A 39 4.561 20.325 -8.913 1.00 32.41 C ATOM 626 CG ASN A 39 3.368 19.442 -8.601 1.00 71.43 C ATOM 627 OD1 ASN A 39 3.501 18.226 -8.463 1.00 71.52 O ATOM 628 ND2 ASN A 39 2.194 20.052 -8.489 1.00 74.44 N ATOM 0 H ASN A 39 5.400 17.587 -9.756 1.00 75.12 H new ATOM 0 HA ASN A 39 6.649 20.193 -9.406 1.00 34.40 H new ATOM 0 HB2 ASN A 39 4.692 21.050 -8.110 1.00 32.41 H new ATOM 0 HB3 ASN A 39 4.363 20.890 -9.824 1.00 32.41 H new ATOM 0 HD21 ASN A 39 1.355 19.510 -8.281 1.00 74.44 H new ATOM 0 HD22 ASN A 39 2.131 21.063 -8.611 1.00 74.44 H new ATOM 635 N ALA A 40 6.328 19.716 -6.716 1.00 23.02 N ATOM 636 CA ALA A 40 6.699 19.240 -5.389 1.00 22.00 C ATOM 637 C ALA A 40 5.832 18.059 -4.967 1.00 71.33 C ATOM 638 O ALA A 40 6.285 17.172 -4.245 1.00 24.34 O ATOM 639 CB ALA A 40 6.588 20.368 -4.374 1.00 24.34 C ATOM 0 H ALA A 40 6.136 20.716 -6.767 1.00 23.02 H new ATOM 0 HA ALA A 40 7.734 18.901 -5.428 1.00 22.00 H new ATOM 0 HB1 ALA A 40 6.868 19.999 -3.387 1.00 24.34 H new ATOM 0 HB2 ALA A 40 7.255 21.181 -4.660 1.00 24.34 H new ATOM 0 HB3 ALA A 40 5.561 20.733 -4.347 1.00 24.34 H new ATOM 645 N GLN A 41 4.583 18.055 -5.423 1.00 24.22 N ATOM 646 CA GLN A 41 3.653 16.982 -5.091 1.00 11.44 C ATOM 647 C GLN A 41 4.136 15.649 -5.652 1.00 53.35 C ATOM 648 O GLN A 41 3.911 14.596 -5.058 1.00 71.23 O ATOM 649 CB GLN A 41 2.258 17.303 -5.632 1.00 25.51 C ATOM 650 CG GLN A 41 1.355 17.986 -4.618 1.00 74.25 C ATOM 651 CD GLN A 41 1.180 17.173 -3.351 1.00 1.13 C ATOM 652 OE1 GLN A 41 0.924 15.970 -3.401 1.00 64.33 O ATOM 653 NE2 GLN A 41 1.318 17.828 -2.204 1.00 32.02 N ATOM 0 H GLN A 41 4.192 18.782 -6.023 1.00 24.22 H new ATOM 0 HA GLN A 41 3.604 16.900 -4.005 1.00 11.44 H new ATOM 0 HB2 GLN A 41 2.356 17.943 -6.509 1.00 25.51 H new ATOM 0 HB3 GLN A 41 1.784 16.379 -5.964 1.00 25.51 H new ATOM 0 HG2 GLN A 41 1.772 18.961 -4.365 1.00 74.25 H new ATOM 0 HG3 GLN A 41 0.379 18.164 -5.069 1.00 74.25 H new ATOM 0 HE21 GLN A 41 1.530 18.826 -2.209 1.00 32.02 H new ATOM 0 HE22 GLN A 41 1.212 17.333 -1.318 1.00 32.02 H new ATOM 662 N GLY A 42 4.801 15.703 -6.803 1.00 14.23 N ATOM 663 CA GLY A 42 5.304 14.493 -7.426 1.00 2.21 C ATOM 664 C GLY A 42 5.262 14.560 -8.940 1.00 1.03 C ATOM 665 O GLY A 42 5.250 15.645 -9.521 1.00 41.44 O ATOM 0 H GLY A 42 5.000 16.563 -7.314 1.00 14.23 H new ATOM 0 HA2 GLY A 42 6.330 14.320 -7.101 1.00 2.21 H new ATOM 0 HA3 GLY A 42 4.715 13.641 -7.087 1.00 2.21 H new ATOM 669 N THR A 43 5.241 13.396 -9.582 1.00 22.14 N ATOM 670 CA THR A 43 5.203 13.326 -11.037 1.00 3.21 C ATOM 671 C THR A 43 3.886 12.734 -11.525 1.00 23.42 C ATOM 672 O THR A 43 3.431 11.708 -11.019 1.00 75.34 O ATOM 673 CB THR A 43 6.368 12.484 -11.589 1.00 63.44 C ATOM 674 OG1 THR A 43 7.495 12.568 -10.709 1.00 54.13 O ATOM 675 CG2 THR A 43 6.767 12.957 -12.979 1.00 4.21 C ATOM 0 H THR A 43 5.250 12.488 -9.116 1.00 22.14 H new ATOM 0 HA THR A 43 5.297 14.348 -11.405 1.00 3.21 H new ATOM 0 HB THR A 43 6.037 11.448 -11.656 1.00 63.44 H new ATOM 0 HG1 THR A 43 8.230 12.028 -11.067 1.00 54.13 H new ATOM 0 HG21 THR A 43 7.592 12.347 -13.348 1.00 4.21 H new ATOM 0 HG22 THR A 43 5.916 12.863 -13.654 1.00 4.21 H new ATOM 0 HG23 THR A 43 7.080 14.000 -12.933 1.00 4.21 H new ATOM 683 N PHE A 44 3.279 13.385 -12.511 1.00 11.41 N ATOM 684 CA PHE A 44 2.013 12.922 -13.067 1.00 50.43 C ATOM 685 C PHE A 44 2.034 12.984 -14.592 1.00 21.12 C ATOM 686 O PHE A 44 2.771 13.773 -15.182 1.00 2.44 O ATOM 687 CB PHE A 44 0.856 13.765 -12.528 1.00 14.43 C ATOM 688 CG PHE A 44 0.910 13.976 -11.042 1.00 12.45 C ATOM 689 CD1 PHE A 44 1.671 15.001 -10.501 1.00 75.51 C ATOM 690 CD2 PHE A 44 0.200 13.150 -10.185 1.00 4.01 C ATOM 691 CE1 PHE A 44 1.722 15.198 -9.134 1.00 63.30 C ATOM 692 CE2 PHE A 44 0.248 13.343 -8.817 1.00 71.42 C ATOM 693 CZ PHE A 44 1.011 14.367 -8.291 1.00 33.10 C ATOM 0 H PHE A 44 3.643 14.235 -12.942 1.00 11.41 H new ATOM 0 HA PHE A 44 1.870 11.885 -12.764 1.00 50.43 H new ATOM 0 HB2 PHE A 44 0.861 14.735 -13.025 1.00 14.43 H new ATOM 0 HB3 PHE A 44 -0.086 13.281 -12.784 1.00 14.43 H new ATOM 0 HD1 PHE A 44 2.230 15.653 -11.155 1.00 75.51 H new ATOM 0 HD2 PHE A 44 -0.397 12.347 -10.590 1.00 4.01 H new ATOM 0 HE1 PHE A 44 2.317 16.001 -8.725 1.00 63.30 H new ATOM 0 HE2 PHE A 44 -0.311 12.693 -8.160 1.00 71.42 H new ATOM 0 HZ PHE A 44 1.051 14.518 -7.222 1.00 33.10 H new ATOM 703 N ALA A 45 1.220 12.144 -15.223 1.00 41.32 N ATOM 704 CA ALA A 45 1.144 12.104 -16.678 1.00 74.53 C ATOM 705 C ALA A 45 -0.258 12.455 -17.164 1.00 74.14 C ATOM 706 O ALA A 45 -1.255 12.049 -16.564 1.00 44.03 O ATOM 707 CB ALA A 45 1.553 10.730 -17.190 1.00 1.40 C ATOM 0 H ALA A 45 0.604 11.483 -14.750 1.00 41.32 H new ATOM 0 HA ALA A 45 1.835 12.848 -17.074 1.00 74.53 H new ATOM 0 HB1 ALA A 45 1.492 10.714 -18.278 1.00 1.40 H new ATOM 0 HB2 ALA A 45 2.576 10.516 -16.881 1.00 1.40 H new ATOM 0 HB3 ALA A 45 0.884 9.974 -16.778 1.00 1.40 H new ATOM 713 N LEU A 46 -0.329 13.212 -18.254 1.00 32.23 N ATOM 714 CA LEU A 46 -1.610 13.619 -18.821 1.00 33.24 C ATOM 715 C LEU A 46 -1.827 12.981 -20.189 1.00 53.53 C ATOM 716 O LEU A 46 -1.103 13.270 -21.142 1.00 54.42 O ATOM 717 CB LEU A 46 -1.677 15.142 -18.938 1.00 52.55 C ATOM 718 CG LEU A 46 -1.032 15.933 -17.800 1.00 24.33 C ATOM 719 CD1 LEU A 46 -1.172 17.428 -18.041 1.00 22.30 C ATOM 720 CD2 LEU A 46 -1.650 15.546 -16.464 1.00 72.23 C ATOM 0 H LEU A 46 0.485 13.556 -18.763 1.00 32.23 H new ATOM 0 HA LEU A 46 -2.401 13.278 -18.153 1.00 33.24 H new ATOM 0 HB2 LEU A 46 -1.200 15.436 -19.873 1.00 52.55 H new ATOM 0 HB3 LEU A 46 -2.725 15.435 -19.009 1.00 52.55 H new ATOM 0 HG LEU A 46 0.030 15.689 -17.771 1.00 24.33 H new ATOM 0 HD11 LEU A 46 -0.707 17.974 -17.220 1.00 22.30 H new ATOM 0 HD12 LEU A 46 -0.681 17.693 -18.977 1.00 22.30 H new ATOM 0 HD13 LEU A 46 -2.229 17.690 -18.098 1.00 22.30 H new ATOM 0 HD21 LEU A 46 -1.179 16.119 -15.665 1.00 72.23 H new ATOM 0 HD22 LEU A 46 -2.719 15.760 -16.482 1.00 72.23 H new ATOM 0 HD23 LEU A 46 -1.496 14.482 -16.287 1.00 72.23 H new ATOM 732 N VAL A 47 -2.830 12.114 -20.280 1.00 74.02 N ATOM 733 CA VAL A 47 -3.145 11.438 -21.533 1.00 54.01 C ATOM 734 C VAL A 47 -4.528 11.833 -22.038 1.00 54.42 C ATOM 735 O VAL A 47 -5.377 12.285 -21.269 1.00 32.30 O ATOM 736 CB VAL A 47 -3.087 9.907 -21.375 1.00 0.01 C ATOM 737 CG1 VAL A 47 -4.269 9.409 -20.557 1.00 50.03 C ATOM 738 CG2 VAL A 47 -3.049 9.232 -22.738 1.00 4.23 C ATOM 0 H VAL A 47 -3.439 11.863 -19.501 1.00 74.02 H new ATOM 0 HA VAL A 47 -2.393 11.750 -22.258 1.00 54.01 H new ATOM 0 HB VAL A 47 -2.172 9.649 -20.841 1.00 0.01 H new ATOM 0 HG11 VAL A 47 -4.211 8.325 -20.456 1.00 50.03 H new ATOM 0 HG12 VAL A 47 -4.246 9.867 -19.568 1.00 50.03 H new ATOM 0 HG13 VAL A 47 -5.198 9.677 -21.060 1.00 50.03 H new ATOM 0 HG21 VAL A 47 -3.008 8.151 -22.607 1.00 4.23 H new ATOM 0 HG22 VAL A 47 -3.945 9.496 -23.300 1.00 4.23 H new ATOM 0 HG23 VAL A 47 -2.167 9.565 -23.284 1.00 4.23 H new ATOM 748 N LYS A 48 -4.750 11.660 -23.337 1.00 4.51 N ATOM 749 CA LYS A 48 -6.030 11.997 -23.947 1.00 15.12 C ATOM 750 C LYS A 48 -6.710 10.752 -24.507 1.00 72.21 C ATOM 751 O LYS A 48 -6.052 9.863 -25.045 1.00 72.53 O ATOM 752 CB LYS A 48 -5.833 13.028 -25.060 1.00 52.05 C ATOM 753 CG LYS A 48 -7.135 13.548 -25.646 1.00 22.04 C ATOM 754 CD LYS A 48 -6.915 14.205 -26.998 1.00 72.31 C ATOM 755 CE LYS A 48 -8.127 15.019 -27.426 1.00 22.32 C ATOM 756 NZ LYS A 48 -7.994 15.520 -28.822 1.00 24.22 N ATOM 0 H LYS A 48 -4.058 11.288 -23.988 1.00 4.51 H new ATOM 0 HA LYS A 48 -6.671 12.424 -23.175 1.00 15.12 H new ATOM 0 HB2 LYS A 48 -5.260 13.868 -24.668 1.00 52.05 H new ATOM 0 HB3 LYS A 48 -5.239 12.581 -25.857 1.00 52.05 H new ATOM 0 HG2 LYS A 48 -7.842 12.725 -25.751 1.00 22.04 H new ATOM 0 HG3 LYS A 48 -7.582 14.267 -24.960 1.00 22.04 H new ATOM 0 HD2 LYS A 48 -6.039 14.852 -26.951 1.00 72.31 H new ATOM 0 HD3 LYS A 48 -6.707 13.440 -27.746 1.00 72.31 H new ATOM 0 HE2 LYS A 48 -9.024 14.405 -27.344 1.00 22.32 H new ATOM 0 HE3 LYS A 48 -8.256 15.863 -26.748 1.00 22.32 H new ATOM 0 HZ1 LYS A 48 -8.840 16.070 -29.076 1.00 24.22 H new ATOM 0 HZ2 LYS A 48 -7.152 16.127 -28.894 1.00 24.22 H new ATOM 0 HZ3 LYS A 48 -7.897 14.714 -29.472 1.00 24.22 H new ATOM 770 N GLY A 49 -8.032 10.696 -24.378 1.00 35.21 N ATOM 771 CA GLY A 49 -8.779 9.556 -24.877 1.00 60.15 C ATOM 772 C GLY A 49 -10.215 9.546 -24.392 1.00 70.35 C ATOM 773 O GLY A 49 -10.592 10.340 -23.531 1.00 61.31 O ATOM 0 H GLY A 49 -8.599 11.420 -23.937 1.00 35.21 H new ATOM 0 HA2 GLY A 49 -8.767 9.567 -25.967 1.00 60.15 H new ATOM 0 HA3 GLY A 49 -8.286 8.636 -24.562 1.00 60.15 H new ATOM 777 N ALA A 50 -11.019 8.645 -24.948 1.00 11.11 N ATOM 778 CA ALA A 50 -12.422 8.535 -24.566 1.00 64.24 C ATOM 779 C ALA A 50 -13.110 9.895 -24.607 1.00 72.33 C ATOM 780 O ALA A 50 -14.060 10.143 -23.866 1.00 72.01 O ATOM 781 CB ALA A 50 -12.545 7.920 -23.180 1.00 43.10 C ATOM 0 H ALA A 50 -10.723 7.981 -25.664 1.00 11.11 H new ATOM 0 HA ALA A 50 -12.919 7.884 -25.285 1.00 64.24 H new ATOM 0 HB1 ALA A 50 -13.598 7.844 -22.908 1.00 43.10 H new ATOM 0 HB2 ALA A 50 -12.098 6.926 -23.182 1.00 43.10 H new ATOM 0 HB3 ALA A 50 -12.028 8.549 -22.456 1.00 43.10 H new ATOM 787 N GLY A 51 -12.624 10.774 -25.479 1.00 22.54 N ATOM 788 CA GLY A 51 -13.204 12.098 -25.599 1.00 14.11 C ATOM 789 C GLY A 51 -12.945 12.958 -24.378 1.00 24.01 C ATOM 790 O GLY A 51 -13.796 13.750 -23.975 1.00 64.13 O ATOM 0 H GLY A 51 -11.839 10.592 -26.104 1.00 22.54 H new ATOM 0 HA2 GLY A 51 -12.795 12.592 -26.481 1.00 14.11 H new ATOM 0 HA3 GLY A 51 -14.279 12.007 -25.754 1.00 14.11 H new ATOM 794 N GLY A 52 -11.765 12.801 -23.785 1.00 43.03 N ATOM 795 CA GLY A 52 -11.417 13.575 -22.608 1.00 32.22 C ATOM 796 C GLY A 52 -9.983 13.352 -22.170 1.00 33.42 C ATOM 797 O GLY A 52 -9.270 12.531 -22.748 1.00 35.14 O ATOM 0 H GLY A 52 -11.044 12.151 -24.099 1.00 43.03 H new ATOM 0 HA2 GLY A 52 -11.570 14.634 -22.815 1.00 32.22 H new ATOM 0 HA3 GLY A 52 -12.088 13.310 -21.791 1.00 32.22 H new ATOM 801 N VAL A 53 -9.558 14.085 -21.146 1.00 42.21 N ATOM 802 CA VAL A 53 -8.199 13.964 -20.631 1.00 72.02 C ATOM 803 C VAL A 53 -8.173 13.167 -19.332 1.00 0.12 C ATOM 804 O VAL A 53 -9.078 13.279 -18.504 1.00 60.41 O ATOM 805 CB VAL A 53 -7.567 15.347 -20.385 1.00 64.35 C ATOM 806 CG1 VAL A 53 -7.165 15.992 -21.703 1.00 10.10 C ATOM 807 CG2 VAL A 53 -8.525 16.241 -19.614 1.00 54.35 C ATOM 0 H VAL A 53 -10.135 14.769 -20.657 1.00 42.21 H new ATOM 0 HA VAL A 53 -7.619 13.437 -21.389 1.00 72.02 H new ATOM 0 HB VAL A 53 -6.668 15.215 -19.784 1.00 64.35 H new ATOM 0 HG11 VAL A 53 -6.720 16.968 -21.510 1.00 10.10 H new ATOM 0 HG12 VAL A 53 -6.440 15.357 -22.212 1.00 10.10 H new ATOM 0 HG13 VAL A 53 -8.046 16.113 -22.333 1.00 10.10 H new ATOM 0 HG21 VAL A 53 -8.062 17.214 -19.449 1.00 54.35 H new ATOM 0 HG22 VAL A 53 -9.444 16.369 -20.186 1.00 54.35 H new ATOM 0 HG23 VAL A 53 -8.757 15.782 -18.653 1.00 54.35 H new ATOM 817 N HIS A 54 -7.129 12.363 -19.158 1.00 71.53 N ATOM 818 CA HIS A 54 -6.984 11.547 -17.958 1.00 21.31 C ATOM 819 C HIS A 54 -5.661 11.842 -17.257 1.00 60.34 C ATOM 820 O HIS A 54 -4.605 11.864 -17.889 1.00 44.42 O ATOM 821 CB HIS A 54 -7.067 10.062 -18.312 1.00 21.41 C ATOM 822 CG HIS A 54 -7.889 9.782 -19.532 1.00 61.22 C ATOM 823 ND1 HIS A 54 -7.511 8.878 -20.503 1.00 53.41 N ATOM 824 CD2 HIS A 54 -9.076 10.291 -19.936 1.00 13.13 C ATOM 825 CE1 HIS A 54 -8.430 8.845 -21.452 1.00 0.32 C ATOM 826 NE2 HIS A 54 -9.391 9.693 -21.131 1.00 43.22 N ATOM 0 H HIS A 54 -6.371 12.259 -19.833 1.00 71.53 H new ATOM 0 HA HIS A 54 -7.799 11.797 -17.278 1.00 21.31 H new ATOM 0 HB2 HIS A 54 -6.059 9.677 -18.467 1.00 21.41 H new ATOM 0 HB3 HIS A 54 -7.489 9.519 -17.467 1.00 21.41 H new ATOM 0 HD2 HIS A 54 -9.666 11.030 -19.415 1.00 13.13 H new ATOM 0 HE1 HIS A 54 -8.401 8.230 -22.339 1.00 0.32 H new ATOM 0 HE2 HIS A 54 -10.230 9.874 -21.681 1.00 43.22 H new ATOM 834 N ARG A 55 -5.727 12.068 -15.949 1.00 71.34 N ATOM 835 CA ARG A 55 -4.535 12.363 -15.164 1.00 0.31 C ATOM 836 C ARG A 55 -4.151 11.173 -14.289 1.00 53.23 C ATOM 837 O ARG A 55 -4.897 10.785 -13.390 1.00 24.52 O ATOM 838 CB ARG A 55 -4.767 13.598 -14.291 1.00 23.12 C ATOM 839 CG ARG A 55 -4.913 14.886 -15.084 1.00 41.10 C ATOM 840 CD ARG A 55 -4.480 16.095 -14.269 1.00 32.44 C ATOM 841 NE ARG A 55 -4.329 17.288 -15.097 1.00 24.12 N ATOM 842 CZ ARG A 55 -3.942 18.467 -14.623 1.00 2.01 C ATOM 843 NH1 ARG A 55 -3.669 18.610 -13.333 1.00 65.34 N ATOM 844 NH2 ARG A 55 -3.827 19.506 -15.440 1.00 12.42 N ATOM 0 H ARG A 55 -6.593 12.052 -15.411 1.00 71.34 H new ATOM 0 HA ARG A 55 -3.716 12.563 -15.855 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.665 13.446 -13.693 1.00 23.12 H new ATOM 0 HB3 ARG A 55 -3.934 13.702 -13.595 1.00 23.12 H new ATOM 0 HG2 ARG A 55 -4.314 14.825 -15.993 1.00 41.10 H new ATOM 0 HG3 ARG A 55 -5.951 15.008 -15.394 1.00 41.10 H new ATOM 0 HD2 ARG A 55 -5.215 16.287 -13.487 1.00 32.44 H new ATOM 0 HD3 ARG A 55 -3.535 15.877 -13.772 1.00 32.44 H new ATOM 0 HE ARG A 55 -4.532 17.212 -16.094 1.00 24.12 H new ATOM 0 HH11 ARG A 55 -3.756 17.813 -12.702 1.00 65.34 H new ATOM 0 HH12 ARG A 55 -3.372 19.517 -12.972 1.00 65.34 H new ATOM 0 HH21 ARG A 55 -4.036 19.400 -16.433 1.00 12.42 H new ATOM 0 HH22 ARG A 55 -3.530 20.411 -15.075 1.00 12.42 H new ATOM 858 N VAL A 56 -2.984 10.598 -14.560 1.00 42.32 N ATOM 859 CA VAL A 56 -2.501 9.453 -13.798 1.00 44.11 C ATOM 860 C VAL A 56 -0.989 9.515 -13.613 1.00 64.41 C ATOM 861 O VAL A 56 -0.263 9.975 -14.495 1.00 32.30 O ATOM 862 CB VAL A 56 -2.869 8.125 -14.486 1.00 41.22 C ATOM 863 CG1 VAL A 56 -4.354 7.837 -14.330 1.00 72.22 C ATOM 864 CG2 VAL A 56 -2.476 8.160 -15.955 1.00 65.23 C ATOM 0 H VAL A 56 -2.355 10.906 -15.302 1.00 42.32 H new ATOM 0 HA VAL A 56 -2.986 9.494 -12.823 1.00 44.11 H new ATOM 0 HB VAL A 56 -2.314 7.320 -14.004 1.00 41.22 H new ATOM 0 HG11 VAL A 56 -4.596 6.895 -14.822 1.00 72.22 H new ATOM 0 HG12 VAL A 56 -4.602 7.767 -13.271 1.00 72.22 H new ATOM 0 HG13 VAL A 56 -4.931 8.642 -14.785 1.00 72.22 H new ATOM 0 HG21 VAL A 56 -2.743 7.214 -16.426 1.00 65.23 H new ATOM 0 HG22 VAL A 56 -3.002 8.974 -16.453 1.00 65.23 H new ATOM 0 HG23 VAL A 56 -1.401 8.317 -16.040 1.00 65.23 H new ATOM 874 N ARG A 57 -0.520 9.047 -12.461 1.00 5.43 N ATOM 875 CA ARG A 57 0.907 9.050 -12.159 1.00 71.22 C ATOM 876 C ARG A 57 1.426 7.627 -11.975 1.00 20.23 C ATOM 877 O ARG A 57 0.667 6.662 -12.061 1.00 72.43 O ATOM 878 CB ARG A 57 1.182 9.872 -10.899 1.00 20.23 C ATOM 879 CG ARG A 57 0.201 9.602 -9.769 1.00 63.23 C ATOM 880 CD ARG A 57 0.817 9.905 -8.412 1.00 40.14 C ATOM 881 NE ARG A 57 1.532 8.755 -7.866 1.00 73.52 N ATOM 882 CZ ARG A 57 0.929 7.726 -7.279 1.00 5.52 C ATOM 883 NH1 ARG A 57 -0.391 7.706 -7.163 1.00 31.44 N ATOM 884 NH2 ARG A 57 1.649 6.716 -6.807 1.00 14.25 N ATOM 0 H ARG A 57 -1.107 8.661 -11.721 1.00 5.43 H new ATOM 0 HA ARG A 57 1.430 9.503 -13.001 1.00 71.22 H new ATOM 0 HB2 ARG A 57 2.192 9.659 -10.550 1.00 20.23 H new ATOM 0 HB3 ARG A 57 1.149 10.932 -11.152 1.00 20.23 H new ATOM 0 HG2 ARG A 57 -0.692 10.211 -9.908 1.00 63.23 H new ATOM 0 HG3 ARG A 57 -0.115 8.559 -9.802 1.00 63.23 H new ATOM 0 HD2 ARG A 57 1.503 10.747 -8.505 1.00 40.14 H new ATOM 0 HD3 ARG A 57 0.033 10.207 -7.718 1.00 40.14 H new ATOM 0 HE ARG A 57 2.549 8.740 -7.939 1.00 73.52 H new ATOM 0 HH11 ARG A 57 -0.947 8.481 -7.525 1.00 31.44 H new ATOM 0 HH12 ARG A 57 -0.851 6.915 -6.712 1.00 31.44 H new ATOM 0 HH21 ARG A 57 2.665 6.729 -6.895 1.00 14.25 H new ATOM 0 HH22 ARG A 57 1.186 5.926 -6.357 1.00 14.25 H new ATOM 898 N VAL A 58 2.725 7.505 -11.721 1.00 20.54 N ATOM 899 CA VAL A 58 3.346 6.200 -11.523 1.00 50.23 C ATOM 900 C VAL A 58 2.559 5.363 -10.521 1.00 63.01 C ATOM 901 O VAL A 58 2.429 5.732 -9.355 1.00 14.31 O ATOM 902 CB VAL A 58 4.799 6.339 -11.031 1.00 71.13 C ATOM 903 CG1 VAL A 58 5.432 4.969 -10.842 1.00 71.34 C ATOM 904 CG2 VAL A 58 5.612 7.181 -12.003 1.00 13.43 C ATOM 0 H VAL A 58 3.368 8.294 -11.647 1.00 20.54 H new ATOM 0 HA VAL A 58 3.344 5.698 -12.491 1.00 50.23 H new ATOM 0 HB VAL A 58 4.791 6.845 -10.066 1.00 71.13 H new ATOM 0 HG11 VAL A 58 6.458 5.087 -10.494 1.00 71.34 H new ATOM 0 HG12 VAL A 58 4.862 4.403 -10.105 1.00 71.34 H new ATOM 0 HG13 VAL A 58 5.430 4.433 -11.791 1.00 71.34 H new ATOM 0 HG21 VAL A 58 6.636 7.269 -11.640 1.00 13.43 H new ATOM 0 HG22 VAL A 58 5.614 6.705 -12.983 1.00 13.43 H new ATOM 0 HG23 VAL A 58 5.169 8.174 -12.083 1.00 13.43 H new ATOM 914 N GLY A 59 2.037 4.231 -10.984 1.00 53.43 N ATOM 915 CA GLY A 59 1.269 3.358 -10.115 1.00 43.44 C ATOM 916 C GLY A 59 -0.161 3.182 -10.587 1.00 4.53 C ATOM 917 O GLY A 59 -0.741 2.106 -10.443 1.00 44.13 O ATOM 0 H GLY A 59 2.132 3.903 -11.945 1.00 53.43 H new ATOM 0 HA2 GLY A 59 1.754 2.383 -10.064 1.00 43.44 H new ATOM 0 HA3 GLY A 59 1.267 3.767 -9.104 1.00 43.44 H new ATOM 921 N ASP A 60 -0.731 4.242 -11.149 1.00 40.22 N ATOM 922 CA ASP A 60 -2.103 4.200 -11.643 1.00 4.53 C ATOM 923 C ASP A 60 -2.223 3.254 -12.833 1.00 34.44 C ATOM 924 O ASP A 60 -1.220 2.784 -13.369 1.00 61.52 O ATOM 925 CB ASP A 60 -2.567 5.602 -12.041 1.00 44.34 C ATOM 926 CG ASP A 60 -3.014 6.425 -10.849 1.00 43.11 C ATOM 927 OD1 ASP A 60 -3.092 5.864 -9.736 1.00 63.30 O ATOM 928 OD2 ASP A 60 -3.285 7.631 -11.029 1.00 22.52 O ATOM 0 H ASP A 60 -0.265 5.141 -11.274 1.00 40.22 H new ATOM 0 HA ASP A 60 -2.741 3.829 -10.841 1.00 4.53 H new ATOM 0 HB2 ASP A 60 -1.754 6.119 -12.551 1.00 44.34 H new ATOM 0 HB3 ASP A 60 -3.389 5.521 -12.752 1.00 44.34 H new ATOM 933 N TYR A 61 -3.457 2.977 -13.239 1.00 54.20 N ATOM 934 CA TYR A 61 -3.710 2.083 -14.363 1.00 43.51 C ATOM 935 C TYR A 61 -4.677 2.718 -15.357 1.00 52.34 C ATOM 936 O TYR A 61 -5.588 3.453 -14.973 1.00 41.20 O ATOM 937 CB TYR A 61 -4.273 0.751 -13.866 1.00 51.10 C ATOM 938 CG TYR A 61 -3.502 0.162 -12.707 1.00 4.34 C ATOM 939 CD1 TYR A 61 -3.760 0.561 -11.401 1.00 0.21 C ATOM 940 CD2 TYR A 61 -2.514 -0.792 -12.917 1.00 1.13 C ATOM 941 CE1 TYR A 61 -3.057 0.027 -10.338 1.00 72.44 C ATOM 942 CE2 TYR A 61 -1.807 -1.333 -11.860 1.00 72.02 C ATOM 943 CZ TYR A 61 -2.082 -0.920 -10.573 1.00 73.51 C ATOM 944 OH TYR A 61 -1.380 -1.456 -9.518 1.00 64.01 O ATOM 0 H TYR A 61 -4.298 3.359 -12.806 1.00 54.20 H new ATOM 0 HA TYR A 61 -2.763 1.902 -14.871 1.00 43.51 H new ATOM 0 HB2 TYR A 61 -5.311 0.894 -13.565 1.00 51.10 H new ATOM 0 HB3 TYR A 61 -4.275 0.037 -14.690 1.00 51.10 H new ATOM 0 HD1 TYR A 61 -4.523 1.302 -11.214 1.00 0.21 H new ATOM 0 HD2 TYR A 61 -2.295 -1.116 -13.924 1.00 1.13 H new ATOM 0 HE1 TYR A 61 -3.270 0.349 -9.329 1.00 72.44 H new ATOM 0 HE2 TYR A 61 -1.043 -2.075 -12.041 1.00 72.02 H new ATOM 0 HH TYR A 61 -0.731 -2.109 -9.855 1.00 64.01 H new ATOM 954 N LEU A 62 -4.474 2.429 -16.638 1.00 25.12 N ATOM 955 CA LEU A 62 -5.327 2.970 -17.690 1.00 34.13 C ATOM 956 C LEU A 62 -5.371 2.032 -18.892 1.00 33.13 C ATOM 957 O LEU A 62 -4.389 1.361 -19.205 1.00 2.03 O ATOM 958 CB LEU A 62 -4.826 4.349 -18.122 1.00 64.33 C ATOM 959 CG LEU A 62 -3.309 4.540 -18.127 1.00 65.31 C ATOM 960 CD1 LEU A 62 -2.667 3.692 -19.214 1.00 71.43 C ATOM 961 CD2 LEU A 62 -2.956 6.008 -18.316 1.00 55.13 C ATOM 0 H LEU A 62 -3.725 1.823 -16.973 1.00 25.12 H new ATOM 0 HA LEU A 62 -6.337 3.066 -17.291 1.00 34.13 H new ATOM 0 HB2 LEU A 62 -5.201 4.552 -19.125 1.00 64.33 H new ATOM 0 HB3 LEU A 62 -5.264 5.096 -17.461 1.00 64.33 H new ATOM 0 HG LEU A 62 -2.919 4.214 -17.163 1.00 65.31 H new ATOM 0 HD11 LEU A 62 -1.587 3.841 -19.202 1.00 71.43 H new ATOM 0 HD12 LEU A 62 -2.890 2.640 -19.034 1.00 71.43 H new ATOM 0 HD13 LEU A 62 -3.063 3.986 -20.186 1.00 71.43 H new ATOM 0 HD21 LEU A 62 -1.872 6.124 -18.317 1.00 55.13 H new ATOM 0 HD22 LEU A 62 -3.360 6.360 -19.265 1.00 55.13 H new ATOM 0 HD23 LEU A 62 -3.383 6.593 -17.501 1.00 55.13 H new ATOM 973 N GLY A 63 -6.518 1.992 -19.563 1.00 51.14 N ATOM 974 CA GLY A 63 -6.668 1.135 -20.725 1.00 11.01 C ATOM 975 C GLY A 63 -7.219 -0.232 -20.370 1.00 11.34 C ATOM 976 O GLY A 63 -7.203 -0.631 -19.205 1.00 71.23 O ATOM 0 H GLY A 63 -7.346 2.537 -19.323 1.00 51.14 H new ATOM 0 HA2 GLY A 63 -7.332 1.615 -21.444 1.00 11.01 H new ATOM 0 HA3 GLY A 63 -5.701 1.018 -21.213 1.00 11.01 H new ATOM 980 N ARG A 64 -7.709 -0.950 -21.375 1.00 14.24 N ATOM 981 CA ARG A 64 -8.271 -2.278 -21.162 1.00 23.43 C ATOM 982 C ARG A 64 -7.177 -3.278 -20.797 1.00 73.52 C ATOM 983 O ARG A 64 -7.456 -4.349 -20.259 1.00 71.13 O ATOM 984 CB ARG A 64 -9.010 -2.750 -22.415 1.00 54.31 C ATOM 985 CG ARG A 64 -10.490 -2.403 -22.416 1.00 12.44 C ATOM 986 CD ARG A 64 -11.214 -3.051 -23.585 1.00 72.11 C ATOM 987 NE ARG A 64 -11.299 -4.502 -23.440 1.00 44.20 N ATOM 988 CZ ARG A 64 -11.910 -5.293 -24.314 1.00 35.41 C ATOM 989 NH1 ARG A 64 -12.488 -4.777 -25.390 1.00 30.11 N ATOM 990 NH2 ARG A 64 -11.945 -6.604 -24.113 1.00 30.55 N ATOM 0 H ARG A 64 -7.728 -0.634 -22.345 1.00 14.24 H new ATOM 0 HA ARG A 64 -8.977 -2.218 -20.334 1.00 23.43 H new ATOM 0 HB2 ARG A 64 -8.541 -2.305 -23.293 1.00 54.31 H new ATOM 0 HB3 ARG A 64 -8.899 -3.830 -22.507 1.00 54.31 H new ATOM 0 HG2 ARG A 64 -10.942 -2.731 -21.480 1.00 12.44 H new ATOM 0 HG3 ARG A 64 -10.611 -1.321 -22.467 1.00 12.44 H new ATOM 0 HD2 ARG A 64 -12.218 -2.635 -23.665 1.00 72.11 H new ATOM 0 HD3 ARG A 64 -10.694 -2.809 -24.512 1.00 72.11 H new ATOM 0 HE ARG A 64 -10.865 -4.931 -22.623 1.00 44.20 H new ATOM 0 HH11 ARG A 64 -12.464 -3.770 -25.548 1.00 30.11 H new ATOM 0 HH12 ARG A 64 -12.957 -5.387 -26.060 1.00 30.11 H new ATOM 0 HH21 ARG A 64 -11.502 -7.005 -23.286 1.00 30.55 H new ATOM 0 HH22 ARG A 64 -12.415 -7.211 -24.785 1.00 30.55 H new ATOM 1004 N ASN A 65 -5.932 -2.921 -21.095 1.00 13.22 N ATOM 1005 CA ASN A 65 -4.797 -3.787 -20.800 1.00 21.35 C ATOM 1006 C ASN A 65 -4.196 -3.452 -19.438 1.00 12.42 C ATOM 1007 O ASN A 65 -3.069 -3.842 -19.132 1.00 14.32 O ATOM 1008 CB ASN A 65 -3.730 -3.653 -21.887 1.00 44.35 C ATOM 1009 CG ASN A 65 -4.275 -3.946 -23.272 1.00 0.41 C ATOM 1010 OD1 ASN A 65 -4.014 -3.208 -24.223 1.00 30.43 O ATOM 1011 ND2 ASN A 65 -5.037 -5.026 -23.391 1.00 32.52 N ATOM 0 H ASN A 65 -5.684 -2.038 -21.541 1.00 13.22 H new ATOM 0 HA ASN A 65 -5.155 -4.816 -20.776 1.00 21.35 H new ATOM 0 HB2 ASN A 65 -3.320 -2.643 -21.867 1.00 44.35 H new ATOM 0 HB3 ASN A 65 -2.908 -4.335 -21.671 1.00 44.35 H new ATOM 0 HD21 ASN A 65 -5.433 -5.273 -24.298 1.00 32.52 H new ATOM 0 HD22 ASN A 65 -5.227 -5.609 -22.576 1.00 32.52 H new ATOM 1018 N ASP A 66 -4.956 -2.727 -18.625 1.00 14.24 N ATOM 1019 CA ASP A 66 -4.501 -2.340 -17.295 1.00 4.34 C ATOM 1020 C ASP A 66 -3.124 -1.685 -17.361 1.00 31.41 C ATOM 1021 O ASP A 66 -2.235 -2.004 -16.572 1.00 74.23 O ATOM 1022 CB ASP A 66 -4.455 -3.559 -16.373 1.00 33.33 C ATOM 1023 CG ASP A 66 -5.830 -3.958 -15.872 1.00 63.13 C ATOM 1024 OD1 ASP A 66 -6.369 -3.252 -14.995 1.00 20.32 O ATOM 1025 OD2 ASP A 66 -6.366 -4.977 -16.358 1.00 2.54 O ATOM 0 H ASP A 66 -5.891 -2.395 -18.864 1.00 14.24 H new ATOM 0 HA ASP A 66 -5.210 -1.616 -16.892 1.00 4.34 H new ATOM 0 HB2 ASP A 66 -4.008 -4.398 -16.907 1.00 33.33 H new ATOM 0 HB3 ASP A 66 -3.810 -3.343 -15.522 1.00 33.33 H new ATOM 1030 N GLY A 67 -2.955 -0.769 -18.309 1.00 52.50 N ATOM 1031 CA GLY A 67 -1.684 -0.085 -18.462 1.00 12.23 C ATOM 1032 C GLY A 67 -1.231 0.589 -17.182 1.00 11.31 C ATOM 1033 O GLY A 67 -1.700 1.676 -16.844 1.00 10.32 O ATOM 0 H GLY A 67 -3.676 -0.488 -18.974 1.00 52.50 H new ATOM 0 HA2 GLY A 67 -0.926 -0.800 -18.780 1.00 12.23 H new ATOM 0 HA3 GLY A 67 -1.769 0.662 -19.252 1.00 12.23 H new ATOM 1037 N LYS A 68 -0.317 -0.057 -16.466 1.00 72.22 N ATOM 1038 CA LYS A 68 0.200 0.485 -15.215 1.00 41.35 C ATOM 1039 C LYS A 68 1.374 1.424 -15.474 1.00 24.20 C ATOM 1040 O LYS A 68 2.370 1.035 -16.085 1.00 1.03 O ATOM 1041 CB LYS A 68 0.635 -0.649 -14.285 1.00 64.10 C ATOM 1042 CG LYS A 68 1.163 -0.168 -12.945 1.00 2.34 C ATOM 1043 CD LYS A 68 1.990 -1.239 -12.254 1.00 1.14 C ATOM 1044 CE LYS A 68 3.315 -1.466 -12.965 1.00 42.32 C ATOM 1045 NZ LYS A 68 4.187 -2.418 -12.223 1.00 62.04 N ATOM 0 H LYS A 68 0.081 -0.958 -16.731 1.00 72.22 H new ATOM 0 HA LYS A 68 -0.598 1.053 -14.736 1.00 41.35 H new ATOM 0 HB2 LYS A 68 -0.212 -1.313 -14.115 1.00 64.10 H new ATOM 0 HB3 LYS A 68 1.407 -1.238 -14.780 1.00 64.10 H new ATOM 0 HG2 LYS A 68 1.771 0.724 -13.092 1.00 2.34 H new ATOM 0 HG3 LYS A 68 0.328 0.117 -12.305 1.00 2.34 H new ATOM 0 HD2 LYS A 68 2.176 -0.946 -11.221 1.00 1.14 H new ATOM 0 HD3 LYS A 68 1.427 -2.172 -12.225 1.00 1.14 H new ATOM 0 HE2 LYS A 68 3.128 -1.851 -13.967 1.00 42.32 H new ATOM 0 HE3 LYS A 68 3.833 -0.514 -13.081 1.00 42.32 H new ATOM 0 HZ1 LYS A 68 5.080 -2.546 -12.740 1.00 62.04 H new ATOM 0 HZ2 LYS A 68 4.387 -2.039 -11.275 1.00 62.04 H new ATOM 0 HZ3 LYS A 68 3.704 -3.335 -12.135 1.00 62.04 H new ATOM 1059 N VAL A 69 1.252 2.661 -15.004 1.00 12.21 N ATOM 1060 CA VAL A 69 2.304 3.654 -15.182 1.00 2.40 C ATOM 1061 C VAL A 69 3.544 3.293 -14.372 1.00 31.22 C ATOM 1062 O VAL A 69 3.469 3.088 -13.160 1.00 60.42 O ATOM 1063 CB VAL A 69 1.826 5.059 -14.769 1.00 1.12 C ATOM 1064 CG1 VAL A 69 2.919 6.089 -15.012 1.00 60.55 C ATOM 1065 CG2 VAL A 69 0.555 5.431 -15.518 1.00 65.32 C ATOM 0 H VAL A 69 0.434 2.999 -14.497 1.00 12.21 H new ATOM 0 HA VAL A 69 2.556 3.661 -16.243 1.00 2.40 H new ATOM 0 HB VAL A 69 1.602 5.048 -13.702 1.00 1.12 H new ATOM 0 HG11 VAL A 69 2.562 7.075 -14.714 1.00 60.55 H new ATOM 0 HG12 VAL A 69 3.800 5.829 -14.426 1.00 60.55 H new ATOM 0 HG13 VAL A 69 3.178 6.101 -16.071 1.00 60.55 H new ATOM 0 HG21 VAL A 69 0.232 6.426 -15.214 1.00 65.32 H new ATOM 0 HG22 VAL A 69 0.750 5.425 -16.590 1.00 65.32 H new ATOM 0 HG23 VAL A 69 -0.228 4.709 -15.287 1.00 65.32 H new ATOM 1075 N VAL A 70 4.685 3.217 -15.049 1.00 23.31 N ATOM 1076 CA VAL A 70 5.943 2.881 -14.392 1.00 0.40 C ATOM 1077 C VAL A 70 6.979 3.981 -14.595 1.00 64.23 C ATOM 1078 O VAL A 70 7.847 4.195 -13.749 1.00 54.24 O ATOM 1079 CB VAL A 70 6.513 1.550 -14.917 1.00 10.30 C ATOM 1080 CG1 VAL A 70 5.469 0.448 -14.823 1.00 21.05 C ATOM 1081 CG2 VAL A 70 7.005 1.709 -16.348 1.00 14.12 C ATOM 0 H VAL A 70 4.764 3.384 -16.052 1.00 23.31 H new ATOM 0 HA VAL A 70 5.728 2.780 -13.328 1.00 0.40 H new ATOM 0 HB VAL A 70 7.362 1.267 -14.294 1.00 10.30 H new ATOM 0 HG11 VAL A 70 5.890 -0.485 -15.198 1.00 21.05 H new ATOM 0 HG12 VAL A 70 5.169 0.318 -13.783 1.00 21.05 H new ATOM 0 HG13 VAL A 70 4.599 0.720 -15.420 1.00 21.05 H new ATOM 0 HG21 VAL A 70 7.404 0.759 -16.703 1.00 14.12 H new ATOM 0 HG22 VAL A 70 6.176 2.015 -16.986 1.00 14.12 H new ATOM 0 HG23 VAL A 70 7.788 2.467 -16.382 1.00 14.12 H new ATOM 1091 N GLY A 71 6.883 4.676 -15.725 1.00 11.35 N ATOM 1092 CA GLY A 71 7.818 5.746 -16.019 1.00 41.10 C ATOM 1093 C GLY A 71 7.142 6.953 -16.638 1.00 50.23 C ATOM 1094 O GLY A 71 6.228 6.812 -17.452 1.00 23.43 O ATOM 0 H GLY A 71 6.175 4.517 -16.441 1.00 11.35 H new ATOM 0 HA2 GLY A 71 8.322 6.047 -15.100 1.00 41.10 H new ATOM 0 HA3 GLY A 71 8.587 5.376 -16.698 1.00 41.10 H new ATOM 1098 N ILE A 72 7.590 8.143 -16.252 1.00 52.13 N ATOM 1099 CA ILE A 72 7.021 9.379 -16.775 1.00 0.20 C ATOM 1100 C ILE A 72 8.114 10.325 -17.261 1.00 61.21 C ATOM 1101 O ILE A 72 8.895 10.849 -16.466 1.00 73.54 O ATOM 1102 CB ILE A 72 6.169 10.100 -15.714 1.00 21.15 C ATOM 1103 CG1 ILE A 72 4.999 9.215 -15.280 1.00 71.41 C ATOM 1104 CG2 ILE A 72 5.663 11.429 -16.254 1.00 1.12 C ATOM 1105 CD1 ILE A 72 4.290 9.714 -14.040 1.00 64.43 C ATOM 0 H ILE A 72 8.345 8.277 -15.579 1.00 52.13 H new ATOM 0 HA ILE A 72 6.383 9.102 -17.614 1.00 0.20 H new ATOM 0 HB ILE A 72 6.793 10.298 -14.842 1.00 21.15 H new ATOM 0 HG12 ILE A 72 4.281 9.150 -16.097 1.00 71.41 H new ATOM 0 HG13 ILE A 72 5.366 8.205 -15.097 1.00 71.41 H new ATOM 0 HG21 ILE A 72 5.063 11.926 -15.492 1.00 1.12 H new ATOM 0 HG22 ILE A 72 6.511 12.061 -16.518 1.00 1.12 H new ATOM 0 HG23 ILE A 72 5.052 11.253 -17.140 1.00 1.12 H new ATOM 0 HD11 ILE A 72 3.472 9.038 -13.791 1.00 64.43 H new ATOM 0 HD12 ILE A 72 4.994 9.753 -13.209 1.00 64.43 H new ATOM 0 HD13 ILE A 72 3.892 10.712 -14.225 1.00 64.43 H new ATOM 1117 N SER A 73 8.163 10.540 -18.572 1.00 12.12 N ATOM 1118 CA SER A 73 9.162 11.422 -19.165 1.00 74.41 C ATOM 1119 C SER A 73 8.526 12.729 -19.628 1.00 71.00 C ATOM 1120 O SER A 73 7.357 12.995 -19.351 1.00 31.22 O ATOM 1121 CB SER A 73 9.848 10.729 -20.344 1.00 54.33 C ATOM 1122 OG SER A 73 9.893 9.326 -20.155 1.00 71.44 O ATOM 0 H SER A 73 7.523 10.116 -19.243 1.00 12.12 H new ATOM 0 HA SER A 73 9.907 11.651 -18.403 1.00 74.41 H new ATOM 0 HB2 SER A 73 9.313 10.958 -21.266 1.00 54.33 H new ATOM 0 HB3 SER A 73 10.860 11.116 -20.458 1.00 54.33 H new ATOM 0 HG SER A 73 9.021 8.938 -20.378 1.00 71.44 H new ATOM 1128 N GLU A 74 9.306 13.541 -20.335 1.00 14.10 N ATOM 1129 CA GLU A 74 8.819 14.821 -20.836 1.00 3.32 C ATOM 1130 C GLU A 74 8.355 14.698 -22.284 1.00 73.12 C ATOM 1131 O GLU A 74 7.676 15.581 -22.807 1.00 62.22 O ATOM 1132 CB GLU A 74 9.914 15.885 -20.729 1.00 12.13 C ATOM 1133 CG GLU A 74 11.078 15.659 -21.679 1.00 33.21 C ATOM 1134 CD GLU A 74 12.234 16.606 -21.422 1.00 34.04 C ATOM 1135 OE1 GLU A 74 12.639 16.743 -20.249 1.00 4.12 O ATOM 1136 OE2 GLU A 74 12.732 17.210 -22.394 1.00 44.13 O ATOM 0 H GLU A 74 10.276 13.336 -20.573 1.00 14.10 H new ATOM 0 HA GLU A 74 7.968 15.121 -20.224 1.00 3.32 H new ATOM 0 HB2 GLU A 74 9.478 16.864 -20.928 1.00 12.13 H new ATOM 0 HB3 GLU A 74 10.290 15.906 -19.706 1.00 12.13 H new ATOM 0 HG2 GLU A 74 11.427 14.631 -21.582 1.00 33.21 H new ATOM 0 HG3 GLU A 74 10.733 15.783 -22.706 1.00 33.21 H new ATOM 1143 N GLY A 75 8.727 13.595 -22.927 1.00 74.00 N ATOM 1144 CA GLY A 75 8.340 13.376 -24.309 1.00 24.34 C ATOM 1145 C GLY A 75 7.671 12.032 -24.517 1.00 63.33 C ATOM 1146 O GLY A 75 7.266 11.697 -25.631 1.00 12.33 O ATOM 0 H GLY A 75 9.289 12.850 -22.516 1.00 74.00 H new ATOM 0 HA2 GLY A 75 7.661 14.169 -24.623 1.00 24.34 H new ATOM 0 HA3 GLY A 75 9.223 13.441 -24.945 1.00 24.34 H new ATOM 1150 N LYS A 76 7.556 11.257 -23.444 1.00 63.10 N ATOM 1151 CA LYS A 76 6.932 9.941 -23.513 1.00 63.11 C ATOM 1152 C LYS A 76 6.643 9.402 -22.116 1.00 25.42 C ATOM 1153 O LYS A 76 7.186 9.894 -21.126 1.00 52.31 O ATOM 1154 CB LYS A 76 7.835 8.965 -24.271 1.00 72.05 C ATOM 1155 CG LYS A 76 9.193 8.762 -23.622 1.00 35.24 C ATOM 1156 CD LYS A 76 10.234 9.707 -24.198 1.00 34.30 C ATOM 1157 CE LYS A 76 10.913 9.109 -25.420 1.00 63.32 C ATOM 1158 NZ LYS A 76 11.950 8.108 -25.044 1.00 44.42 N ATOM 0 H LYS A 76 7.887 11.518 -22.515 1.00 63.10 H new ATOM 0 HA LYS A 76 5.987 10.042 -24.047 1.00 63.11 H new ATOM 0 HB2 LYS A 76 7.331 8.002 -24.348 1.00 72.05 H new ATOM 0 HB3 LYS A 76 7.979 9.331 -25.288 1.00 72.05 H new ATOM 0 HG2 LYS A 76 9.111 8.922 -22.547 1.00 35.24 H new ATOM 0 HG3 LYS A 76 9.516 7.731 -23.767 1.00 35.24 H new ATOM 0 HD2 LYS A 76 9.760 10.651 -24.469 1.00 34.30 H new ATOM 0 HD3 LYS A 76 10.982 9.933 -23.438 1.00 34.30 H new ATOM 0 HE2 LYS A 76 10.165 8.636 -26.056 1.00 63.32 H new ATOM 0 HE3 LYS A 76 11.372 9.905 -26.006 1.00 63.32 H new ATOM 0 HZ1 LYS A 76 12.401 7.736 -25.904 1.00 44.42 H new ATOM 0 HZ2 LYS A 76 12.669 8.561 -24.444 1.00 44.42 H new ATOM 0 HZ3 LYS A 76 11.505 7.327 -24.521 1.00 44.42 H new ATOM 1172 N ILE A 77 5.788 8.387 -22.043 1.00 42.32 N ATOM 1173 CA ILE A 77 5.430 7.780 -20.767 1.00 44.42 C ATOM 1174 C ILE A 77 5.528 6.260 -20.835 1.00 5.11 C ATOM 1175 O ILE A 77 4.890 5.623 -21.673 1.00 43.43 O ATOM 1176 CB ILE A 77 4.005 8.173 -20.337 1.00 73.01 C ATOM 1177 CG1 ILE A 77 3.795 9.679 -20.504 1.00 53.31 C ATOM 1178 CG2 ILE A 77 3.752 7.754 -18.897 1.00 33.14 C ATOM 1179 CD1 ILE A 77 4.749 10.517 -19.682 1.00 14.22 C ATOM 0 H ILE A 77 5.330 7.968 -22.853 1.00 42.32 H new ATOM 0 HA ILE A 77 6.139 8.155 -20.029 1.00 44.42 H new ATOM 0 HB ILE A 77 3.292 7.653 -20.977 1.00 73.01 H new ATOM 0 HG12 ILE A 77 3.910 9.939 -21.556 1.00 53.31 H new ATOM 0 HG13 ILE A 77 2.771 9.928 -20.224 1.00 53.31 H new ATOM 0 HG21 ILE A 77 2.740 8.039 -18.608 1.00 33.14 H new ATOM 0 HG22 ILE A 77 3.865 6.674 -18.807 1.00 33.14 H new ATOM 0 HG23 ILE A 77 4.469 8.249 -18.243 1.00 33.14 H new ATOM 0 HD11 ILE A 77 4.542 11.574 -19.850 1.00 14.22 H new ATOM 0 HD12 ILE A 77 4.619 10.285 -18.625 1.00 14.22 H new ATOM 0 HD13 ILE A 77 5.775 10.296 -19.978 1.00 14.22 H new ATOM 1191 N ASP A 78 6.330 5.684 -19.946 1.00 2.52 N ATOM 1192 CA ASP A 78 6.510 4.238 -19.902 1.00 70.11 C ATOM 1193 C ASP A 78 5.456 3.586 -19.012 1.00 43.11 C ATOM 1194 O ASP A 78 5.299 3.953 -17.848 1.00 12.14 O ATOM 1195 CB ASP A 78 7.910 3.892 -19.393 1.00 62.33 C ATOM 1196 CG ASP A 78 9.004 4.482 -20.261 1.00 51.41 C ATOM 1197 OD1 ASP A 78 9.384 5.649 -20.025 1.00 63.51 O ATOM 1198 OD2 ASP A 78 9.480 3.778 -21.176 1.00 3.44 O ATOM 0 H ASP A 78 6.866 6.197 -19.246 1.00 2.52 H new ATOM 0 HA ASP A 78 6.394 3.851 -20.915 1.00 70.11 H new ATOM 0 HB2 ASP A 78 8.023 4.258 -18.372 1.00 62.33 H new ATOM 0 HB3 ASP A 78 8.023 2.808 -19.358 1.00 62.33 H new ATOM 1203 N VAL A 79 4.736 2.617 -19.569 1.00 11.43 N ATOM 1204 CA VAL A 79 3.697 1.914 -18.826 1.00 11.21 C ATOM 1205 C VAL A 79 3.661 0.436 -19.198 1.00 15.15 C ATOM 1206 O VAL A 79 4.004 0.059 -20.318 1.00 73.04 O ATOM 1207 CB VAL A 79 2.309 2.531 -19.082 1.00 31.11 C ATOM 1208 CG1 VAL A 79 2.342 4.034 -18.855 1.00 3.54 C ATOM 1209 CG2 VAL A 79 1.834 2.207 -20.490 1.00 72.32 C ATOM 0 H VAL A 79 4.853 2.301 -20.532 1.00 11.43 H new ATOM 0 HA VAL A 79 3.941 2.014 -17.768 1.00 11.21 H new ATOM 0 HB VAL A 79 1.602 2.097 -18.375 1.00 31.11 H new ATOM 0 HG11 VAL A 79 1.353 4.452 -19.041 1.00 3.54 H new ATOM 0 HG12 VAL A 79 2.636 4.240 -17.826 1.00 3.54 H new ATOM 0 HG13 VAL A 79 3.062 4.489 -19.536 1.00 3.54 H new ATOM 0 HG21 VAL A 79 0.852 2.651 -20.654 1.00 72.32 H new ATOM 0 HG22 VAL A 79 2.540 2.612 -21.215 1.00 72.32 H new ATOM 0 HG23 VAL A 79 1.769 1.126 -20.612 1.00 72.32 H new ATOM 1219 N ILE A 80 3.242 -0.396 -18.250 1.00 63.31 N ATOM 1220 CA ILE A 80 3.160 -1.833 -18.479 1.00 35.53 C ATOM 1221 C ILE A 80 1.747 -2.246 -18.877 1.00 35.44 C ATOM 1222 O ILE A 80 0.805 -2.101 -18.098 1.00 52.51 O ATOM 1223 CB ILE A 80 3.581 -2.628 -17.228 1.00 44.43 C ATOM 1224 CG1 ILE A 80 5.104 -2.766 -17.175 1.00 62.32 C ATOM 1225 CG2 ILE A 80 2.919 -3.997 -17.222 1.00 72.12 C ATOM 1226 CD1 ILE A 80 5.660 -3.722 -18.207 1.00 62.50 C ATOM 0 H ILE A 80 2.954 -0.100 -17.317 1.00 63.31 H new ATOM 0 HA ILE A 80 3.847 -2.062 -19.294 1.00 35.53 H new ATOM 0 HB ILE A 80 3.252 -2.084 -16.342 1.00 44.43 H new ATOM 0 HG12 ILE A 80 5.555 -1.784 -17.321 1.00 62.32 H new ATOM 0 HG13 ILE A 80 5.396 -3.107 -16.182 1.00 62.32 H new ATOM 0 HG21 ILE A 80 3.227 -4.546 -16.332 1.00 72.12 H new ATOM 0 HG22 ILE A 80 1.836 -3.877 -17.218 1.00 72.12 H new ATOM 0 HG23 ILE A 80 3.220 -4.550 -18.112 1.00 72.12 H new ATOM 0 HD11 ILE A 80 6.745 -3.770 -18.111 1.00 62.50 H new ATOM 0 HD12 ILE A 80 5.237 -4.714 -18.049 1.00 62.50 H new ATOM 0 HD13 ILE A 80 5.399 -3.371 -19.206 1.00 62.50 H new ATOM 1238 N GLU A 81 1.607 -2.764 -20.093 1.00 45.12 N ATOM 1239 CA GLU A 81 0.309 -3.199 -20.594 1.00 32.04 C ATOM 1240 C GLU A 81 0.197 -4.721 -20.566 1.00 0.34 C ATOM 1241 O GLU A 81 1.183 -5.430 -20.769 1.00 1.33 O ATOM 1242 CB GLU A 81 0.089 -2.687 -22.019 1.00 13.35 C ATOM 1243 CG GLU A 81 -0.124 -1.184 -22.099 1.00 63.31 C ATOM 1244 CD GLU A 81 0.646 -0.547 -23.240 1.00 13.44 C ATOM 1245 OE1 GLU A 81 0.606 -1.093 -24.362 1.00 21.35 O ATOM 1246 OE2 GLU A 81 1.287 0.500 -23.010 1.00 24.15 O ATOM 0 H GLU A 81 2.377 -2.893 -20.750 1.00 45.12 H new ATOM 0 HA GLU A 81 -0.460 -2.783 -19.943 1.00 32.04 H new ATOM 0 HB2 GLU A 81 0.950 -2.957 -22.630 1.00 13.35 H new ATOM 0 HB3 GLU A 81 -0.777 -3.192 -22.448 1.00 13.35 H new ATOM 0 HG2 GLU A 81 -1.187 -0.977 -22.223 1.00 63.31 H new ATOM 0 HG3 GLU A 81 0.182 -0.726 -21.158 1.00 63.31 H new ATOM 1253 N ILE A 82 -1.010 -5.215 -20.312 1.00 51.32 N ATOM 1254 CA ILE A 82 -1.251 -6.651 -20.258 1.00 31.20 C ATOM 1255 C ILE A 82 -1.813 -7.164 -21.579 1.00 74.52 C ATOM 1256 O ILE A 82 -2.720 -6.564 -22.156 1.00 13.33 O ATOM 1257 CB ILE A 82 -2.225 -7.016 -19.122 1.00 71.11 C ATOM 1258 CG1 ILE A 82 -1.791 -6.351 -17.815 1.00 5.33 C ATOM 1259 CG2 ILE A 82 -2.301 -8.526 -18.954 1.00 71.34 C ATOM 1260 CD1 ILE A 82 -0.454 -6.840 -17.303 1.00 30.24 C ATOM 0 H ILE A 82 -1.836 -4.642 -20.140 1.00 51.32 H new ATOM 0 HA ILE A 82 -0.289 -7.126 -20.067 1.00 31.20 H new ATOM 0 HB ILE A 82 -3.217 -6.648 -19.383 1.00 71.11 H new ATOM 0 HG12 ILE A 82 -1.741 -5.272 -17.965 1.00 5.33 H new ATOM 0 HG13 ILE A 82 -2.551 -6.533 -17.055 1.00 5.33 H new ATOM 0 HG21 ILE A 82 -2.993 -8.768 -18.148 1.00 71.34 H new ATOM 0 HG22 ILE A 82 -2.652 -8.978 -19.882 1.00 71.34 H new ATOM 0 HG23 ILE A 82 -1.312 -8.915 -18.712 1.00 71.34 H new ATOM 0 HD11 ILE A 82 -0.210 -6.326 -16.374 1.00 30.24 H new ATOM 0 HD12 ILE A 82 -0.505 -7.914 -17.121 1.00 30.24 H new ATOM 0 HD13 ILE A 82 0.317 -6.634 -18.045 1.00 30.24 H new ATOM 1272 N VAL A 83 -1.270 -8.281 -22.054 1.00 20.05 N ATOM 1273 CA VAL A 83 -1.719 -8.878 -23.306 1.00 10.13 C ATOM 1274 C VAL A 83 -1.767 -10.398 -23.204 1.00 22.33 C ATOM 1275 O VAL A 83 -1.046 -11.016 -22.419 1.00 52.42 O ATOM 1276 CB VAL A 83 -0.801 -8.481 -24.477 1.00 72.53 C ATOM 1277 CG1 VAL A 83 -0.957 -7.004 -24.802 1.00 12.43 C ATOM 1278 CG2 VAL A 83 0.648 -8.815 -24.155 1.00 74.11 C ATOM 0 H VAL A 83 -0.518 -8.791 -21.590 1.00 20.05 H new ATOM 0 HA VAL A 83 -2.723 -8.498 -23.496 1.00 10.13 H new ATOM 0 HB VAL A 83 -1.095 -9.054 -25.356 1.00 72.53 H new ATOM 0 HG11 VAL A 83 -0.300 -6.743 -25.632 1.00 12.43 H new ATOM 0 HG12 VAL A 83 -1.991 -6.800 -25.079 1.00 12.43 H new ATOM 0 HG13 VAL A 83 -0.691 -6.409 -23.928 1.00 12.43 H new ATOM 0 HG21 VAL A 83 1.283 -8.528 -24.993 1.00 74.11 H new ATOM 0 HG22 VAL A 83 0.957 -8.271 -23.263 1.00 74.11 H new ATOM 0 HG23 VAL A 83 0.744 -9.886 -23.978 1.00 74.11 H new ATOM 1288 N PRO A 84 -2.636 -11.019 -24.016 1.00 5.33 N ATOM 1289 CA PRO A 84 -2.798 -12.475 -24.037 1.00 22.53 C ATOM 1290 C PRO A 84 -1.586 -13.185 -24.630 1.00 24.30 C ATOM 1291 O PRO A 84 -0.925 -12.661 -25.527 1.00 4.14 O ATOM 1292 CB PRO A 84 -4.027 -12.683 -24.925 1.00 42.23 C ATOM 1293 CG PRO A 84 -4.067 -11.480 -25.803 1.00 1.41 C ATOM 1294 CD PRO A 84 -3.526 -10.346 -24.976 1.00 40.14 C ATOM 0 HA PRO A 84 -2.906 -12.887 -23.034 1.00 22.53 H new ATOM 0 HB2 PRO A 84 -3.942 -13.598 -25.511 1.00 42.23 H new ATOM 0 HB3 PRO A 84 -4.936 -12.769 -24.329 1.00 42.23 H new ATOM 0 HG2 PRO A 84 -3.466 -11.631 -26.699 1.00 1.41 H new ATOM 0 HG3 PRO A 84 -5.085 -11.271 -26.133 1.00 1.41 H new ATOM 0 HD2 PRO A 84 -2.985 -9.625 -25.588 1.00 40.14 H new ATOM 0 HD3 PRO A 84 -4.323 -9.801 -24.471 1.00 40.14 H new ATOM 1302 N ASP A 85 -1.300 -14.380 -24.125 1.00 24.04 N ATOM 1303 CA ASP A 85 -0.167 -15.163 -24.606 1.00 52.31 C ATOM 1304 C ASP A 85 -0.586 -16.075 -25.755 1.00 34.14 C ATOM 1305 O ASP A 85 0.165 -16.274 -26.708 1.00 74.25 O ATOM 1306 CB ASP A 85 0.426 -15.995 -23.468 1.00 11.41 C ATOM 1307 CG ASP A 85 1.833 -16.469 -23.771 1.00 25.55 C ATOM 1308 OD1 ASP A 85 2.555 -15.758 -24.499 1.00 45.33 O ATOM 1309 OD2 ASP A 85 2.213 -17.553 -23.279 1.00 71.43 O ATOM 0 H ASP A 85 -1.837 -14.828 -23.383 1.00 24.04 H new ATOM 0 HA ASP A 85 0.592 -14.471 -24.973 1.00 52.31 H new ATOM 0 HB2 ASP A 85 0.435 -15.401 -22.554 1.00 11.41 H new ATOM 0 HB3 ASP A 85 -0.213 -16.858 -23.282 1.00 11.41 H new ATOM 1314 N GLY A 86 -1.791 -16.628 -25.655 1.00 34.30 N ATOM 1315 CA GLY A 86 -2.289 -17.514 -26.691 1.00 60.13 C ATOM 1316 C GLY A 86 -2.798 -18.829 -26.135 1.00 14.21 C ATOM 1317 O GLY A 86 -3.693 -19.448 -26.710 1.00 13.43 O ATOM 0 H GLY A 86 -2.431 -16.478 -24.875 1.00 34.30 H new ATOM 0 HA2 GLY A 86 -3.093 -17.017 -27.234 1.00 60.13 H new ATOM 0 HA3 GLY A 86 -1.493 -17.711 -27.410 1.00 60.13 H new ATOM 1321 N GLU A 87 -2.226 -19.257 -25.014 1.00 41.11 N ATOM 1322 CA GLU A 87 -2.627 -20.508 -24.382 1.00 63.52 C ATOM 1323 C GLU A 87 -3.752 -20.275 -23.378 1.00 72.24 C ATOM 1324 O GLU A 87 -4.529 -21.181 -23.078 1.00 43.04 O ATOM 1325 CB GLU A 87 -1.431 -21.158 -23.682 1.00 60.15 C ATOM 1326 CG GLU A 87 -0.154 -21.128 -24.505 1.00 51.24 C ATOM 1327 CD GLU A 87 0.753 -22.308 -24.218 1.00 64.20 C ATOM 1328 OE1 GLU A 87 0.933 -22.642 -23.028 1.00 13.31 O ATOM 1329 OE2 GLU A 87 1.284 -22.898 -25.182 1.00 41.12 O ATOM 0 H GLU A 87 -1.484 -18.756 -24.525 1.00 41.11 H new ATOM 0 HA GLU A 87 -2.992 -21.178 -25.161 1.00 63.52 H new ATOM 0 HB2 GLU A 87 -1.255 -20.649 -22.734 1.00 60.15 H new ATOM 0 HB3 GLU A 87 -1.677 -22.193 -23.447 1.00 60.15 H new ATOM 0 HG2 GLU A 87 -0.409 -21.120 -25.565 1.00 51.24 H new ATOM 0 HG3 GLU A 87 0.384 -20.203 -24.300 1.00 51.24 H new ATOM 1336 N GLY A 88 -3.833 -19.053 -22.862 1.00 2.41 N ATOM 1337 CA GLY A 88 -4.865 -18.721 -21.897 1.00 60.50 C ATOM 1338 C GLY A 88 -4.354 -17.826 -20.786 1.00 32.02 C ATOM 1339 O GLY A 88 -5.134 -17.314 -19.984 1.00 73.12 O ATOM 0 H GLY A 88 -3.202 -18.286 -23.095 1.00 2.41 H new ATOM 0 HA2 GLY A 88 -5.690 -18.225 -22.408 1.00 60.50 H new ATOM 0 HA3 GLY A 88 -5.263 -19.639 -21.465 1.00 60.50 H new ATOM 1343 N ASN A 89 -3.039 -17.638 -20.737 1.00 14.22 N ATOM 1344 CA ASN A 89 -2.425 -16.800 -19.714 1.00 1.44 C ATOM 1345 C ASN A 89 -2.067 -15.428 -20.277 1.00 11.30 C ATOM 1346 O ASN A 89 -1.935 -15.259 -21.489 1.00 42.41 O ATOM 1347 CB ASN A 89 -1.172 -17.477 -19.155 1.00 44.31 C ATOM 1348 CG ASN A 89 -1.306 -18.986 -19.100 1.00 62.23 C ATOM 1349 OD1 ASN A 89 -1.756 -19.545 -18.100 1.00 13.42 O ATOM 1350 ND2 ASN A 89 -0.914 -19.654 -20.179 1.00 23.42 N ATOM 0 H ASN A 89 -2.379 -18.055 -21.393 1.00 14.22 H new ATOM 0 HA ASN A 89 -3.147 -16.665 -18.909 1.00 1.44 H new ATOM 0 HB2 ASN A 89 -0.314 -17.214 -19.773 1.00 44.31 H new ATOM 0 HB3 ASN A 89 -0.973 -17.096 -18.153 1.00 44.31 H new ATOM 0 HD21 ASN A 89 -0.980 -20.672 -20.201 1.00 23.42 H new ATOM 0 HD22 ASN A 89 -0.547 -19.149 -20.986 1.00 23.42 H new ATOM 1357 N TRP A 90 -1.912 -14.452 -19.389 1.00 65.33 N ATOM 1358 CA TRP A 90 -1.568 -13.095 -19.798 1.00 13.21 C ATOM 1359 C TRP A 90 -0.092 -12.808 -19.549 1.00 65.52 C ATOM 1360 O TRP A 90 0.550 -13.468 -18.730 1.00 34.10 O ATOM 1361 CB TRP A 90 -2.431 -12.080 -19.046 1.00 30.33 C ATOM 1362 CG TRP A 90 -3.899 -12.245 -19.300 1.00 0.32 C ATOM 1363 CD1 TRP A 90 -4.752 -13.094 -18.655 1.00 72.01 C ATOM 1364 CD2 TRP A 90 -4.685 -11.543 -20.269 1.00 43.32 C ATOM 1365 NE1 TRP A 90 -6.021 -12.962 -19.165 1.00 72.44 N ATOM 1366 CE2 TRP A 90 -6.007 -12.016 -20.156 1.00 25.50 C ATOM 1367 CE3 TRP A 90 -4.401 -10.559 -21.220 1.00 51.11 C ATOM 1368 CZ2 TRP A 90 -7.039 -11.540 -20.959 1.00 51.31 C ATOM 1369 CZ3 TRP A 90 -5.427 -10.087 -22.017 1.00 10.14 C ATOM 1370 CH2 TRP A 90 -6.733 -10.577 -21.882 1.00 1.42 C ATOM 0 H TRP A 90 -2.019 -14.575 -18.382 1.00 65.33 H new ATOM 0 HA TRP A 90 -1.761 -13.005 -20.867 1.00 13.21 H new ATOM 0 HB2 TRP A 90 -2.242 -12.174 -17.977 1.00 30.33 H new ATOM 0 HB3 TRP A 90 -2.130 -11.073 -19.335 1.00 30.33 H new ATOM 0 HD1 TRP A 90 -4.471 -13.770 -17.861 1.00 72.01 H new ATOM 0 HE1 TRP A 90 -6.841 -13.484 -18.856 1.00 72.44 H new ATOM 0 HE3 TRP A 90 -3.398 -10.174 -21.330 1.00 51.11 H new ATOM 0 HZ2 TRP A 90 -8.046 -11.917 -20.857 1.00 51.31 H new ATOM 0 HZ3 TRP A 90 -5.219 -9.328 -22.756 1.00 10.14 H new ATOM 0 HH2 TRP A 90 -7.513 -10.187 -22.519 1.00 1.42 H new ATOM 1381 N LEU A 91 0.443 -11.822 -20.260 1.00 1.32 N ATOM 1382 CA LEU A 91 1.846 -11.448 -20.115 1.00 52.34 C ATOM 1383 C LEU A 91 2.002 -9.931 -20.059 1.00 61.44 C ATOM 1384 O LEU A 91 1.098 -9.191 -20.443 1.00 52.44 O ATOM 1385 CB LEU A 91 2.667 -12.014 -21.275 1.00 70.01 C ATOM 1386 CG LEU A 91 3.374 -13.343 -21.010 1.00 64.53 C ATOM 1387 CD1 LEU A 91 4.325 -13.217 -19.830 1.00 11.51 C ATOM 1388 CD2 LEU A 91 2.358 -14.448 -20.762 1.00 71.44 C ATOM 0 H LEU A 91 -0.073 -11.267 -20.943 1.00 1.32 H new ATOM 0 HA LEU A 91 2.214 -11.867 -19.179 1.00 52.34 H new ATOM 0 HB2 LEU A 91 2.007 -12.141 -22.133 1.00 70.01 H new ATOM 0 HB3 LEU A 91 3.418 -11.276 -21.557 1.00 70.01 H new ATOM 0 HG LEU A 91 3.957 -13.604 -21.893 1.00 64.53 H new ATOM 0 HD11 LEU A 91 4.819 -14.173 -19.657 1.00 11.51 H new ATOM 0 HD12 LEU A 91 5.074 -12.456 -20.046 1.00 11.51 H new ATOM 0 HD13 LEU A 91 3.764 -12.932 -18.940 1.00 11.51 H new ATOM 0 HD21 LEU A 91 2.880 -15.387 -20.575 1.00 71.44 H new ATOM 0 HD22 LEU A 91 1.748 -14.193 -19.896 1.00 71.44 H new ATOM 0 HD23 LEU A 91 1.718 -14.557 -21.637 1.00 71.44 H new ATOM 1400 N GLU A 92 3.156 -9.478 -19.580 1.00 43.14 N ATOM 1401 CA GLU A 92 3.431 -8.050 -19.476 1.00 52.40 C ATOM 1402 C GLU A 92 4.016 -7.511 -20.778 1.00 62.55 C ATOM 1403 O GLU A 92 4.698 -8.231 -21.509 1.00 1.23 O ATOM 1404 CB GLU A 92 4.394 -7.776 -18.319 1.00 45.05 C ATOM 1405 CG GLU A 92 5.745 -8.453 -18.480 1.00 5.51 C ATOM 1406 CD GLU A 92 6.772 -7.555 -19.144 1.00 21.35 C ATOM 1407 OE1 GLU A 92 7.181 -6.556 -18.517 1.00 14.51 O ATOM 1408 OE2 GLU A 92 7.167 -7.854 -20.290 1.00 50.32 O ATOM 0 H GLU A 92 3.915 -10.079 -19.258 1.00 43.14 H new ATOM 0 HA GLU A 92 2.488 -7.538 -19.283 1.00 52.40 H new ATOM 0 HB2 GLU A 92 4.544 -6.700 -18.229 1.00 45.05 H new ATOM 0 HB3 GLU A 92 3.937 -8.113 -17.389 1.00 45.05 H new ATOM 0 HG2 GLU A 92 6.114 -8.758 -17.501 1.00 5.51 H new ATOM 0 HG3 GLU A 92 5.624 -9.360 -19.072 1.00 5.51 H new ATOM 1415 N ARG A 93 3.744 -6.242 -21.063 1.00 22.03 N ATOM 1416 CA ARG A 93 4.242 -5.607 -22.277 1.00 71.52 C ATOM 1417 C ARG A 93 4.560 -4.136 -22.030 1.00 50.45 C ATOM 1418 O ARG A 93 3.706 -3.259 -22.166 1.00 71.31 O ATOM 1419 CB ARG A 93 3.214 -5.736 -23.403 1.00 64.42 C ATOM 1420 CG ARG A 93 3.835 -5.811 -24.789 1.00 22.24 C ATOM 1421 CD ARG A 93 2.772 -5.931 -25.870 1.00 3.44 C ATOM 1422 NE ARG A 93 3.354 -5.955 -27.209 1.00 1.51 N ATOM 1423 CZ ARG A 93 2.634 -6.039 -28.322 1.00 14.23 C ATOM 1424 NH1 ARG A 93 1.311 -6.106 -28.256 1.00 22.43 N ATOM 1425 NH2 ARG A 93 3.236 -6.055 -29.504 1.00 20.01 N ATOM 0 H ARG A 93 3.181 -5.633 -20.469 1.00 22.03 H new ATOM 0 HA ARG A 93 5.160 -6.114 -22.572 1.00 71.52 H new ATOM 0 HB2 ARG A 93 2.613 -6.630 -23.234 1.00 64.42 H new ATOM 0 HB3 ARG A 93 2.536 -4.884 -23.364 1.00 64.42 H new ATOM 0 HG2 ARG A 93 4.438 -4.921 -24.967 1.00 22.24 H new ATOM 0 HG3 ARG A 93 4.507 -6.667 -24.842 1.00 22.24 H new ATOM 0 HD2 ARG A 93 2.193 -6.841 -25.710 1.00 3.44 H new ATOM 0 HD3 ARG A 93 2.078 -5.094 -25.791 1.00 3.44 H new ATOM 0 HE ARG A 93 4.369 -5.904 -27.294 1.00 1.51 H new ATOM 0 HH11 ARG A 93 0.844 -6.093 -27.349 1.00 22.43 H new ATOM 0 HH12 ARG A 93 0.760 -6.170 -29.112 1.00 22.43 H new ATOM 0 HH21 ARG A 93 4.253 -6.003 -29.559 1.00 20.01 H new ATOM 0 HH22 ARG A 93 2.682 -6.120 -30.358 1.00 20.01 H new ATOM 1439 N PRO A 94 5.818 -3.856 -21.659 1.00 20.13 N ATOM 1440 CA PRO A 94 6.278 -2.491 -21.385 1.00 70.42 C ATOM 1441 C PRO A 94 6.359 -1.643 -22.649 1.00 51.44 C ATOM 1442 O PRO A 94 7.228 -1.853 -23.495 1.00 64.31 O ATOM 1443 CB PRO A 94 7.673 -2.700 -20.791 1.00 1.33 C ATOM 1444 CG PRO A 94 8.127 -4.009 -21.338 1.00 54.35 C ATOM 1445 CD PRO A 94 6.889 -4.851 -21.477 1.00 54.23 C ATOM 0 HA PRO A 94 5.595 -1.955 -20.726 1.00 70.42 H new ATOM 0 HB2 PRO A 94 8.350 -1.895 -21.078 1.00 1.33 H new ATOM 0 HB3 PRO A 94 7.641 -2.716 -19.702 1.00 1.33 H new ATOM 0 HG2 PRO A 94 8.621 -3.879 -22.301 1.00 54.35 H new ATOM 0 HG3 PRO A 94 8.848 -4.482 -20.671 1.00 54.35 H new ATOM 0 HD2 PRO A 94 6.957 -5.528 -22.328 1.00 54.23 H new ATOM 0 HD3 PRO A 94 6.720 -5.466 -20.593 1.00 54.23 H new ATOM 1453 N ARG A 95 5.448 -0.683 -22.771 1.00 51.34 N ATOM 1454 CA ARG A 95 5.416 0.197 -23.933 1.00 44.53 C ATOM 1455 C ARG A 95 5.511 1.660 -23.510 1.00 4.41 C ATOM 1456 O ARG A 95 5.067 2.033 -22.424 1.00 23.20 O ATOM 1457 CB ARG A 95 4.135 -0.030 -24.737 1.00 52.31 C ATOM 1458 CG ARG A 95 4.256 -1.130 -25.779 1.00 20.14 C ATOM 1459 CD ARG A 95 5.281 -0.777 -26.845 1.00 72.22 C ATOM 1460 NE ARG A 95 5.005 -1.448 -28.113 1.00 14.22 N ATOM 1461 CZ ARG A 95 3.975 -1.145 -28.895 1.00 72.03 C ATOM 1462 NH1 ARG A 95 3.129 -0.187 -28.542 1.00 74.31 N ATOM 1463 NH2 ARG A 95 3.790 -1.800 -30.034 1.00 61.42 N ATOM 0 H ARG A 95 4.722 -0.495 -22.079 1.00 51.34 H new ATOM 0 HA ARG A 95 6.276 -0.039 -24.559 1.00 44.53 H new ATOM 0 HB2 ARG A 95 3.325 -0.279 -24.051 1.00 52.31 H new ATOM 0 HB3 ARG A 95 3.858 0.900 -25.233 1.00 52.31 H new ATOM 0 HG2 ARG A 95 4.541 -2.063 -25.293 1.00 20.14 H new ATOM 0 HG3 ARG A 95 3.286 -1.298 -26.247 1.00 20.14 H new ATOM 0 HD2 ARG A 95 5.287 0.302 -26.999 1.00 72.22 H new ATOM 0 HD3 ARG A 95 6.276 -1.054 -26.497 1.00 72.22 H new ATOM 0 HE ARG A 95 5.638 -2.189 -28.414 1.00 14.22 H new ATOM 0 HH11 ARG A 95 3.268 0.320 -27.668 1.00 74.31 H new ATOM 0 HH12 ARG A 95 2.339 0.043 -29.145 1.00 74.31 H new ATOM 0 HH21 ARG A 95 4.439 -2.537 -30.310 1.00 61.42 H new ATOM 0 HH22 ARG A 95 2.999 -1.567 -30.634 1.00 61.42 H new ATOM 1477 N SER A 96 6.094 2.485 -24.375 1.00 31.33 N ATOM 1478 CA SER A 96 6.251 3.906 -24.089 1.00 24.12 C ATOM 1479 C SER A 96 5.367 4.746 -25.006 1.00 22.34 C ATOM 1480 O SER A 96 5.453 4.648 -26.231 1.00 1.35 O ATOM 1481 CB SER A 96 7.715 4.322 -24.252 1.00 33.51 C ATOM 1482 OG SER A 96 8.457 3.320 -24.925 1.00 63.12 O ATOM 0 H SER A 96 6.465 2.193 -25.279 1.00 31.33 H new ATOM 0 HA SER A 96 5.944 4.080 -23.058 1.00 24.12 H new ATOM 0 HB2 SER A 96 7.771 5.257 -24.810 1.00 33.51 H new ATOM 0 HB3 SER A 96 8.155 4.509 -23.272 1.00 33.51 H new ATOM 0 HG SER A 96 9.388 3.610 -25.018 1.00 63.12 H new ATOM 1488 N LEU A 97 4.517 5.571 -24.404 1.00 62.41 N ATOM 1489 CA LEU A 97 3.616 6.429 -25.165 1.00 32.20 C ATOM 1490 C LEU A 97 4.211 7.822 -25.343 1.00 20.12 C ATOM 1491 O LEU A 97 4.230 8.625 -24.409 1.00 50.25 O ATOM 1492 CB LEU A 97 2.260 6.527 -24.464 1.00 30.24 C ATOM 1493 CG LEU A 97 1.752 5.245 -23.803 1.00 31.03 C ATOM 1494 CD1 LEU A 97 0.350 5.449 -23.250 1.00 20.13 C ATOM 1495 CD2 LEU A 97 1.774 4.090 -24.793 1.00 32.41 C ATOM 0 H LEU A 97 4.433 5.664 -23.392 1.00 62.41 H new ATOM 0 HA LEU A 97 3.477 5.985 -26.151 1.00 32.20 H new ATOM 0 HB2 LEU A 97 2.322 7.304 -23.703 1.00 30.24 H new ATOM 0 HB3 LEU A 97 1.519 6.854 -25.194 1.00 30.24 H new ATOM 0 HG LEU A 97 2.415 4.999 -22.974 1.00 31.03 H new ATOM 0 HD11 LEU A 97 0.005 4.526 -22.783 1.00 20.13 H new ATOM 0 HD12 LEU A 97 0.364 6.247 -22.508 1.00 20.13 H new ATOM 0 HD13 LEU A 97 -0.325 5.720 -24.062 1.00 20.13 H new ATOM 0 HD21 LEU A 97 1.409 3.186 -24.305 1.00 32.41 H new ATOM 0 HD22 LEU A 97 1.134 4.327 -25.643 1.00 32.41 H new ATOM 0 HD23 LEU A 97 2.794 3.928 -25.141 1.00 32.41 H new ATOM 1507 N THR A 98 4.695 8.104 -26.548 1.00 63.45 N ATOM 1508 CA THR A 98 5.290 9.400 -26.850 1.00 21.44 C ATOM 1509 C THR A 98 4.217 10.465 -27.044 1.00 63.03 C ATOM 1510 O THR A 98 3.069 10.153 -27.363 1.00 11.45 O ATOM 1511 CB THR A 98 6.168 9.335 -28.113 1.00 63.44 C ATOM 1512 OG1 THR A 98 5.347 9.153 -29.272 1.00 72.21 O ATOM 1513 CG2 THR A 98 7.174 8.198 -28.015 1.00 64.24 C ATOM 0 H THR A 98 4.687 7.451 -27.332 1.00 63.45 H new ATOM 0 HA THR A 98 5.914 9.668 -25.997 1.00 21.44 H new ATOM 0 HB THR A 98 6.713 10.275 -28.198 1.00 63.44 H new ATOM 0 HG1 THR A 98 5.913 9.114 -30.071 1.00 72.21 H new ATOM 0 HG21 THR A 98 7.783 8.172 -28.919 1.00 64.24 H new ATOM 0 HG22 THR A 98 7.817 8.355 -27.149 1.00 64.24 H new ATOM 0 HG23 THR A 98 6.644 7.252 -27.907 1.00 64.24 H new ATOM 1521 N LEU A 99 4.598 11.723 -26.852 1.00 50.11 N ATOM 1522 CA LEU A 99 3.668 12.836 -27.008 1.00 11.14 C ATOM 1523 C LEU A 99 2.957 12.767 -28.355 1.00 51.53 C ATOM 1524 O LEU A 99 3.567 12.450 -29.376 1.00 45.44 O ATOM 1525 CB LEU A 99 4.409 14.168 -26.876 1.00 71.22 C ATOM 1526 CG LEU A 99 3.595 15.336 -26.319 1.00 5.43 C ATOM 1527 CD1 LEU A 99 3.731 15.407 -24.806 1.00 10.34 C ATOM 1528 CD2 LEU A 99 4.036 16.646 -26.957 1.00 71.43 C ATOM 0 H LEU A 99 5.544 11.998 -26.588 1.00 50.11 H new ATOM 0 HA LEU A 99 2.919 12.765 -26.219 1.00 11.14 H new ATOM 0 HB2 LEU A 99 5.276 14.016 -26.233 1.00 71.22 H new ATOM 0 HB3 LEU A 99 4.786 14.450 -27.859 1.00 71.22 H new ATOM 0 HG LEU A 99 2.545 15.171 -26.562 1.00 5.43 H new ATOM 0 HD11 LEU A 99 3.145 16.244 -24.427 1.00 10.34 H new ATOM 0 HD12 LEU A 99 3.367 14.480 -24.364 1.00 10.34 H new ATOM 0 HD13 LEU A 99 4.779 15.548 -24.541 1.00 10.34 H new ATOM 0 HD21 LEU A 99 3.446 17.466 -26.549 1.00 71.43 H new ATOM 0 HD22 LEU A 99 5.091 16.817 -26.744 1.00 71.43 H new ATOM 0 HD23 LEU A 99 3.887 16.594 -28.036 1.00 71.43 H new