USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 53 ASN :FLIP amide:sc= -0.414 F(o=-1.8!,f=-0.51) USER MOD Set 1.2: A 103 TYR OH : rot -138:sc= -0.0938 USER MOD Set 2.1: A 23 MET CE :methyl -141:sc= -2.77 (180deg=-1.62) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 164:sc= 0.512 (180deg=0.39) USER MOD Set 2.3: A 126 THR OG1 : rot -31:sc= 0.465 USER MOD Single : A 30 SER OG : rot -30:sc= -4.16! USER MOD Single : A 48 TYR OH : rot 180:sc= -0.013 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.496 K(o=0.5,f=-7.5!) USER MOD Single : A 63 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.6!) USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00886 F(o=-0.99,f=-0.0089) USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= 0.15! (180deg=-0.344!) USER MOD Single : A 77 THR OG1 : rot -64:sc= 0.332 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 1.17 (180deg=1.08) USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.14) USER MOD Single : A 95 MET CE :methyl -121:sc= -0.338 (180deg=-5.09!) USER MOD Single : A 100 MET CE :methyl -117:sc= -1.49 (180deg=-4.26!) USER MOD Single : A 105 ASN : amide:sc= 1.18 K(o=1.2,f=-0.18) USER MOD Single : A 106 MET CE :methyl -162:sc= -0.0305 (180deg=-0.33) USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.17) USER MOD Single : A 129 LYS NZ :NH3+ -122:sc= 1.59 (180deg=-0.601) USER MOD Single : A 130 THR OG1 : rot 173:sc= 0.573 USER MOD Single : A 133 LYS NZ :NH3+ 165:sc= 1 (180deg=0.67) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 10.714 1.088 9.429 1.00 11.33 N ATOM 342 CA MET A 23 9.884 1.509 8.301 1.00 41.34 C ATOM 343 C MET A 23 10.657 2.485 7.397 1.00 2.44 C ATOM 344 O MET A 23 11.416 3.323 7.887 1.00 61.14 O ATOM 345 CB MET A 23 8.613 2.171 8.840 1.00 13.24 C ATOM 346 CG MET A 23 8.883 3.424 9.669 1.00 61.33 C ATOM 347 SD MET A 23 7.455 3.949 10.628 1.00 14.51 S ATOM 348 CE MET A 23 6.189 3.892 9.370 1.00 73.41 C ATOM 0 HA MET A 23 9.616 0.639 7.702 1.00 41.34 H new ATOM 0 HB2 MET A 23 7.966 2.432 8.003 1.00 13.24 H new ATOM 0 HB3 MET A 23 8.069 1.451 9.451 1.00 13.24 H new ATOM 0 HG2 MET A 23 9.718 3.234 10.344 1.00 61.33 H new ATOM 0 HG3 MET A 23 9.187 4.234 9.006 1.00 61.33 H new ATOM 0 HE1 MET A 23 5.513 4.738 9.495 1.00 73.41 H new ATOM 0 HE2 MET A 23 6.653 3.941 8.385 1.00 73.41 H new ATOM 0 HE3 MET A 23 5.627 2.962 9.461 1.00 73.41 H new ATOM 358 N LEU A 24 10.472 2.378 6.084 1.00 54.20 N ATOM 359 CA LEU A 24 11.191 3.244 5.138 1.00 30.51 C ATOM 360 C LEU A 24 10.289 4.333 4.546 1.00 64.32 C ATOM 361 O LEU A 24 9.109 4.105 4.273 1.00 14.44 O ATOM 362 CB LEU A 24 11.822 2.422 4.012 1.00 41.11 C ATOM 363 CG LEU A 24 12.994 1.522 4.451 1.00 40.31 C ATOM 364 CD1 LEU A 24 12.580 0.054 4.517 1.00 52.34 C ATOM 365 CD2 LEU A 24 14.191 1.719 3.530 1.00 11.53 C ATOM 0 H LEU A 24 9.838 1.709 5.648 1.00 54.20 H new ATOM 0 HA LEU A 24 11.980 3.737 5.706 1.00 30.51 H new ATOM 0 HB2 LEU A 24 11.051 1.797 3.561 1.00 41.11 H new ATOM 0 HB3 LEU A 24 12.175 3.103 3.237 1.00 41.11 H new ATOM 0 HG LEU A 24 13.286 1.818 5.459 1.00 40.31 H new ATOM 0 HD11 LEU A 24 13.431 -0.550 4.830 1.00 52.34 H new ATOM 0 HD12 LEU A 24 11.768 -0.063 5.235 1.00 52.34 H new ATOM 0 HD13 LEU A 24 12.244 -0.274 3.533 1.00 52.34 H new ATOM 0 HD21 LEU A 24 15.009 1.076 3.854 1.00 11.53 H new ATOM 0 HD22 LEU A 24 13.910 1.462 2.509 1.00 11.53 H new ATOM 0 HD23 LEU A 24 14.511 2.760 3.567 1.00 11.53 H new ATOM 377 N GLU A 25 10.862 5.516 4.351 1.00 74.30 N ATOM 378 CA GLU A 25 10.150 6.649 3.793 1.00 41.42 C ATOM 379 C GLU A 25 10.082 6.553 2.258 1.00 34.34 C ATOM 380 O GLU A 25 11.099 6.668 1.570 1.00 32.40 O ATOM 381 CB GLU A 25 10.869 7.927 4.224 1.00 21.15 C ATOM 382 CG GLU A 25 10.055 9.176 4.006 1.00 21.11 C ATOM 383 CD GLU A 25 10.776 10.430 4.471 1.00 72.21 C ATOM 384 OE1 GLU A 25 10.898 10.631 5.700 1.00 10.34 O ATOM 385 OE2 GLU A 25 11.239 11.212 3.616 1.00 40.33 O ATOM 0 H GLU A 25 11.837 5.712 4.578 1.00 74.30 H new ATOM 0 HA GLU A 25 9.124 6.658 4.162 1.00 41.42 H new ATOM 0 HB2 GLU A 25 11.127 7.851 5.280 1.00 21.15 H new ATOM 0 HB3 GLU A 25 11.805 8.012 3.672 1.00 21.15 H new ATOM 0 HG2 GLU A 25 9.817 9.270 2.947 1.00 21.11 H new ATOM 0 HG3 GLU A 25 9.108 9.086 4.539 1.00 21.11 H new ATOM 392 N VAL A 26 8.881 6.344 1.730 1.00 63.34 N ATOM 393 CA VAL A 26 8.688 6.121 0.289 1.00 22.32 C ATOM 394 C VAL A 26 7.622 7.059 -0.298 1.00 5.15 C ATOM 395 O VAL A 26 6.793 7.600 0.427 1.00 54.32 O ATOM 396 CB VAL A 26 8.274 4.654 0.003 1.00 71.22 C ATOM 397 CG1 VAL A 26 9.375 3.683 0.427 1.00 22.25 C ATOM 398 CG2 VAL A 26 6.954 4.318 0.701 1.00 20.43 C ATOM 0 H VAL A 26 8.019 6.323 2.275 1.00 63.34 H new ATOM 0 HA VAL A 26 9.645 6.333 -0.188 1.00 22.32 H new ATOM 0 HB VAL A 26 8.128 4.548 -1.072 1.00 71.22 H new ATOM 0 HG11 VAL A 26 9.060 2.661 0.216 1.00 22.25 H new ATOM 0 HG12 VAL A 26 10.288 3.903 -0.127 1.00 22.25 H new ATOM 0 HG13 VAL A 26 9.564 3.791 1.495 1.00 22.25 H new ATOM 0 HG21 VAL A 26 6.682 3.284 0.487 1.00 20.43 H new ATOM 0 HG22 VAL A 26 7.068 4.448 1.777 1.00 20.43 H new ATOM 0 HG23 VAL A 26 6.170 4.982 0.336 1.00 20.43 H new ATOM 408 N GLU A 27 7.641 7.244 -1.616 1.00 31.23 N ATOM 409 CA GLU A 27 6.604 8.035 -2.292 1.00 43.43 C ATOM 410 C GLU A 27 5.540 7.115 -2.911 1.00 43.30 C ATOM 411 O GLU A 27 5.823 6.334 -3.821 1.00 71.34 O ATOM 412 CB GLU A 27 7.224 8.943 -3.367 1.00 24.23 C ATOM 413 CG GLU A 27 6.225 9.897 -4.027 1.00 2.25 C ATOM 414 CD GLU A 27 6.880 10.921 -4.951 1.00 34.11 C ATOM 415 OE1 GLU A 27 8.113 10.865 -5.150 1.00 64.21 O ATOM 416 OE2 GLU A 27 6.163 11.802 -5.471 1.00 72.55 O ATOM 0 H GLU A 27 8.355 6.862 -2.237 1.00 31.23 H new ATOM 0 HA GLU A 27 6.121 8.669 -1.548 1.00 43.43 H new ATOM 0 HB2 GLU A 27 8.026 9.528 -2.916 1.00 24.23 H new ATOM 0 HB3 GLU A 27 7.678 8.319 -4.137 1.00 24.23 H new ATOM 0 HG2 GLU A 27 5.501 9.315 -4.598 1.00 2.25 H new ATOM 0 HG3 GLU A 27 5.670 10.423 -3.250 1.00 2.25 H new ATOM 423 N VAL A 28 4.318 7.218 -2.396 1.00 21.23 N ATOM 424 CA VAL A 28 3.201 6.350 -2.791 1.00 62.42 C ATOM 425 C VAL A 28 2.440 6.916 -3.999 1.00 20.34 C ATOM 426 O VAL A 28 1.795 7.961 -3.911 1.00 52.24 O ATOM 427 CB VAL A 28 2.203 6.170 -1.617 1.00 63.21 C ATOM 428 CG1 VAL A 28 1.108 5.170 -1.980 1.00 11.12 C ATOM 429 CG2 VAL A 28 2.937 5.750 -0.344 1.00 20.41 C ATOM 0 H VAL A 28 4.068 7.909 -1.688 1.00 21.23 H new ATOM 0 HA VAL A 28 3.633 5.387 -3.064 1.00 62.42 H new ATOM 0 HB VAL A 28 1.724 7.130 -1.426 1.00 63.21 H new ATOM 0 HG11 VAL A 28 0.421 5.062 -1.140 1.00 11.12 H new ATOM 0 HG12 VAL A 28 0.561 5.530 -2.852 1.00 11.12 H new ATOM 0 HG13 VAL A 28 1.558 4.204 -2.207 1.00 11.12 H new ATOM 0 HG21 VAL A 28 2.219 5.629 0.467 1.00 20.41 H new ATOM 0 HG22 VAL A 28 3.452 4.805 -0.516 1.00 20.41 H new ATOM 0 HG23 VAL A 28 3.664 6.516 -0.074 1.00 20.41 H new ATOM 439 N ILE A 29 2.506 6.216 -5.122 1.00 4.13 N ATOM 440 CA ILE A 29 1.849 6.669 -6.350 1.00 52.30 C ATOM 441 C ILE A 29 0.489 5.980 -6.550 1.00 25.22 C ATOM 442 O ILE A 29 0.231 4.924 -5.976 1.00 74.53 O ATOM 443 CB ILE A 29 2.734 6.393 -7.591 1.00 12.41 C ATOM 444 CG1 ILE A 29 4.219 6.529 -7.227 1.00 43.02 C ATOM 445 CG2 ILE A 29 2.371 7.362 -8.717 1.00 43.54 C ATOM 446 CD1 ILE A 29 5.157 6.064 -8.315 1.00 52.12 C ATOM 0 H ILE A 29 3.006 5.332 -5.213 1.00 4.13 H new ATOM 0 HA ILE A 29 1.694 7.743 -6.244 1.00 52.30 H new ATOM 0 HB ILE A 29 2.554 5.374 -7.933 1.00 12.41 H new ATOM 0 HG12 ILE A 29 4.433 7.573 -6.997 1.00 43.02 H new ATOM 0 HG13 ILE A 29 4.416 5.956 -6.321 1.00 43.02 H new ATOM 0 HG21 ILE A 29 2.998 7.161 -9.586 1.00 43.54 H new ATOM 0 HG22 ILE A 29 1.323 7.230 -8.987 1.00 43.54 H new ATOM 0 HG23 ILE A 29 2.533 8.386 -8.382 1.00 43.54 H new ATOM 0 HD11 ILE A 29 6.188 6.191 -7.985 1.00 52.12 H new ATOM 0 HD12 ILE A 29 4.972 5.012 -8.530 1.00 52.12 H new ATOM 0 HD13 ILE A 29 4.989 6.654 -9.216 1.00 52.12 H new ATOM 458 N SER A 30 -0.374 6.584 -7.369 1.00 55.34 N ATOM 459 CA SER A 30 -1.686 6.003 -7.688 1.00 20.22 C ATOM 460 C SER A 30 -1.890 5.888 -9.201 1.00 10.12 C ATOM 461 O SER A 30 -2.121 6.882 -9.885 1.00 53.34 O ATOM 462 CB SER A 30 -2.814 6.838 -7.070 1.00 1.24 C ATOM 463 OG SER A 30 -2.744 6.811 -5.655 1.00 42.33 O ATOM 0 H SER A 30 -0.190 7.477 -7.826 1.00 55.34 H new ATOM 0 HA SER A 30 -1.714 5.000 -7.261 1.00 20.22 H new ATOM 0 HB2 SER A 30 -2.745 7.867 -7.422 1.00 1.24 H new ATOM 0 HB3 SER A 30 -3.779 6.453 -7.398 1.00 1.24 H new ATOM 0 HG SER A 30 -2.357 5.959 -5.363 1.00 42.33 H new ATOM 469 N GLY A 31 -1.809 4.665 -9.718 1.00 73.20 N ATOM 470 CA GLY A 31 -1.912 4.448 -11.159 1.00 61.42 C ATOM 471 C GLY A 31 -3.319 4.089 -11.623 1.00 75.54 C ATOM 472 O GLY A 31 -3.931 3.149 -11.112 1.00 31.41 O ATOM 0 H GLY A 31 -1.674 3.817 -9.168 1.00 73.20 H new ATOM 0 HA2 GLY A 31 -1.586 5.349 -11.678 1.00 61.42 H new ATOM 0 HA3 GLY A 31 -1.228 3.649 -11.448 1.00 61.42 H new ATOM 711 N GLU A 47 -12.456 -8.785 -9.320 1.00 44.43 N ATOM 712 CA GLU A 47 -11.295 -8.088 -9.893 1.00 12.31 C ATOM 713 C GLU A 47 -10.906 -6.863 -9.047 1.00 71.44 C ATOM 714 O GLU A 47 -9.727 -6.541 -8.898 1.00 14.22 O ATOM 715 CB GLU A 47 -11.611 -7.650 -11.329 1.00 22.33 C ATOM 716 CG GLU A 47 -11.997 -8.805 -12.246 1.00 44.44 C ATOM 717 CD GLU A 47 -12.542 -8.332 -13.584 1.00 31.02 C ATOM 718 OE1 GLU A 47 -13.662 -7.782 -13.612 1.00 41.02 O ATOM 719 OE2 GLU A 47 -11.858 -8.504 -14.615 1.00 1.20 O ATOM 0 HA GLU A 47 -10.451 -8.778 -9.897 1.00 12.31 H new ATOM 0 HB2 GLU A 47 -12.425 -6.925 -11.309 1.00 22.33 H new ATOM 0 HB3 GLU A 47 -10.741 -7.141 -11.745 1.00 22.33 H new ATOM 0 HG2 GLU A 47 -11.125 -9.436 -12.416 1.00 44.44 H new ATOM 0 HG3 GLU A 47 -12.746 -9.423 -11.751 1.00 44.44 H new ATOM 726 N TYR A 48 -11.911 -6.201 -8.472 1.00 63.53 N ATOM 727 CA TYR A 48 -11.686 -5.023 -7.625 1.00 23.42 C ATOM 728 C TYR A 48 -10.904 -5.409 -6.351 1.00 31.23 C ATOM 729 O TYR A 48 -10.103 -4.626 -5.835 1.00 75.43 O ATOM 730 CB TYR A 48 -13.036 -4.378 -7.244 1.00 41.11 C ATOM 731 CG TYR A 48 -12.960 -2.883 -6.975 1.00 53.12 C ATOM 732 CD1 TYR A 48 -12.323 -2.385 -5.842 1.00 1.12 C ATOM 733 CD2 TYR A 48 -13.514 -1.969 -7.867 1.00 31.13 C ATOM 734 CE1 TYR A 48 -12.242 -1.026 -5.610 1.00 64.54 C ATOM 735 CE2 TYR A 48 -13.438 -0.609 -7.637 1.00 64.01 C ATOM 736 CZ TYR A 48 -12.798 -0.142 -6.511 1.00 73.14 C ATOM 737 OH TYR A 48 -12.714 1.213 -6.282 1.00 73.45 O ATOM 0 H TYR A 48 -12.892 -6.459 -8.576 1.00 63.53 H new ATOM 0 HA TYR A 48 -11.094 -4.302 -8.188 1.00 23.42 H new ATOM 0 HB2 TYR A 48 -13.750 -4.555 -8.048 1.00 41.11 H new ATOM 0 HB3 TYR A 48 -13.426 -4.876 -6.356 1.00 41.11 H new ATOM 0 HD1 TYR A 48 -11.885 -3.072 -5.133 1.00 1.12 H new ATOM 0 HD2 TYR A 48 -14.012 -2.330 -8.755 1.00 31.13 H new ATOM 0 HE1 TYR A 48 -11.745 -0.656 -4.725 1.00 64.54 H new ATOM 0 HE2 TYR A 48 -13.879 0.085 -8.337 1.00 64.01 H new ATOM 0 HH TYR A 48 -13.155 1.696 -7.012 1.00 73.45 H new ATOM 747 N PHE A 49 -11.134 -6.630 -5.865 1.00 31.02 N ATOM 748 CA PHE A 49 -10.474 -7.126 -4.646 1.00 55.23 C ATOM 749 C PHE A 49 -9.107 -7.776 -4.961 1.00 75.25 C ATOM 750 O PHE A 49 -8.449 -8.328 -4.084 1.00 73.44 O ATOM 751 CB PHE A 49 -11.396 -8.126 -3.923 1.00 23.32 C ATOM 752 CG PHE A 49 -10.927 -8.505 -2.532 1.00 0.04 C ATOM 753 CD1 PHE A 49 -11.029 -7.600 -1.483 1.00 62.32 C ATOM 754 CD2 PHE A 49 -10.387 -9.760 -2.275 1.00 40.22 C ATOM 755 CE1 PHE A 49 -10.601 -7.939 -0.211 1.00 4.41 C ATOM 756 CE2 PHE A 49 -9.960 -10.101 -1.005 1.00 64.33 C ATOM 757 CZ PHE A 49 -10.066 -9.190 0.028 1.00 71.14 C ATOM 0 H PHE A 49 -11.773 -7.299 -6.295 1.00 31.02 H new ATOM 0 HA PHE A 49 -10.285 -6.274 -3.992 1.00 55.23 H new ATOM 0 HB2 PHE A 49 -12.396 -7.697 -3.854 1.00 23.32 H new ATOM 0 HB3 PHE A 49 -11.478 -9.030 -4.526 1.00 23.32 H new ATOM 0 HD1 PHE A 49 -11.447 -6.620 -1.662 1.00 62.32 H new ATOM 0 HD2 PHE A 49 -10.300 -10.478 -3.077 1.00 40.22 H new ATOM 0 HE1 PHE A 49 -10.685 -7.225 0.595 1.00 4.41 H new ATOM 0 HE2 PHE A 49 -9.543 -11.080 -0.820 1.00 64.33 H new ATOM 0 HZ PHE A 49 -9.731 -9.455 1.020 1.00 71.14 H new ATOM 767 N ASN A 50 -8.680 -7.710 -6.221 1.00 12.03 N ATOM 768 CA ASN A 50 -7.362 -8.235 -6.615 1.00 34.32 C ATOM 769 C ASN A 50 -6.475 -7.148 -7.246 1.00 13.42 C ATOM 770 O ASN A 50 -5.261 -7.121 -7.028 1.00 12.42 O ATOM 771 CB ASN A 50 -7.520 -9.415 -7.581 1.00 44.21 C ATOM 772 CG ASN A 50 -8.132 -10.632 -6.907 1.00 43.21 C ATOM 773 OD1 ASN A 50 -7.429 -11.477 -6.357 1.00 33.40 O ATOM 774 ND2 ASN A 50 -9.443 -10.738 -6.942 1.00 35.13 N ATOM 0 H ASN A 50 -9.218 -7.303 -6.986 1.00 12.03 H new ATOM 0 HA ASN A 50 -6.867 -8.580 -5.707 1.00 34.32 H new ATOM 0 HB2 ASN A 50 -8.146 -9.113 -8.420 1.00 44.21 H new ATOM 0 HB3 ASN A 50 -6.545 -9.680 -7.990 1.00 44.21 H new ATOM 0 HD21 ASN A 50 -9.902 -11.537 -6.505 1.00 35.13 H new ATOM 0 HD22 ASN A 50 -10.000 -10.021 -7.406 1.00 35.13 H new ATOM 781 N ALA A 51 -7.086 -6.244 -8.011 1.00 72.21 N ATOM 782 CA ALA A 51 -6.343 -5.213 -8.749 1.00 14.54 C ATOM 783 C ALA A 51 -5.710 -4.158 -7.825 1.00 32.53 C ATOM 784 O ALA A 51 -4.506 -3.931 -7.864 1.00 21.04 O ATOM 785 CB ALA A 51 -7.260 -4.536 -9.765 1.00 43.11 C ATOM 0 H ALA A 51 -8.097 -6.202 -8.139 1.00 72.21 H new ATOM 0 HA ALA A 51 -5.525 -5.716 -9.264 1.00 14.54 H new ATOM 0 HB1 ALA A 51 -6.702 -3.773 -10.308 1.00 43.11 H new ATOM 0 HB2 ALA A 51 -7.636 -5.279 -10.468 1.00 43.11 H new ATOM 0 HB3 ALA A 51 -8.098 -4.071 -9.246 1.00 43.11 H new ATOM 791 N VAL A 52 -6.529 -3.515 -6.997 1.00 20.10 N ATOM 792 CA VAL A 52 -6.069 -2.385 -6.169 1.00 65.01 C ATOM 793 C VAL A 52 -5.679 -2.804 -4.738 1.00 60.22 C ATOM 794 O VAL A 52 -5.564 -1.962 -3.849 1.00 63.00 O ATOM 795 CB VAL A 52 -7.166 -1.294 -6.092 1.00 23.12 C ATOM 796 CG1 VAL A 52 -7.478 -0.748 -7.483 1.00 34.32 C ATOM 797 CG2 VAL A 52 -8.429 -1.842 -5.428 1.00 11.31 C ATOM 0 H VAL A 52 -7.514 -3.750 -6.876 1.00 20.10 H new ATOM 0 HA VAL A 52 -5.174 -1.996 -6.655 1.00 65.01 H new ATOM 0 HB VAL A 52 -6.791 -0.474 -5.480 1.00 23.12 H new ATOM 0 HG11 VAL A 52 -8.251 0.017 -7.409 1.00 34.32 H new ATOM 0 HG12 VAL A 52 -6.576 -0.312 -7.914 1.00 34.32 H new ATOM 0 HG13 VAL A 52 -7.830 -1.558 -8.121 1.00 34.32 H new ATOM 0 HG21 VAL A 52 -9.186 -1.059 -5.384 1.00 11.31 H new ATOM 0 HG22 VAL A 52 -8.809 -2.683 -6.008 1.00 11.31 H new ATOM 0 HG23 VAL A 52 -8.193 -2.175 -4.417 1.00 11.31 H new ATOM 807 N ASN A 53 -5.458 -4.099 -4.520 1.00 42.54 N ATOM 808 CA ASN A 53 -5.200 -4.619 -3.166 1.00 24.42 C ATOM 809 C ASN A 53 -3.707 -4.911 -2.915 1.00 74.22 C ATOM 810 O ASN A 53 -3.365 -5.640 -1.983 1.00 21.11 O ATOM 811 CB ASN A 53 -6.026 -5.892 -2.922 1.00 23.25 C ATOM 812 CG ASN A 53 -7.528 -5.641 -2.887 1.00 14.35 C ATOM 813 OD1 ASN A 53 -8.021 -4.746 -3.723 1.00 12.21 O flip ATOM 814 ND2 ASN A 53 -8.250 -6.264 -2.127 1.00 65.51 N flip ATOM 0 H ASN A 53 -5.451 -4.808 -5.253 1.00 42.54 H new ATOM 0 HA ASN A 53 -5.500 -3.840 -2.465 1.00 24.42 H new ATOM 0 HB2 ASN A 53 -5.804 -6.616 -3.706 1.00 23.25 H new ATOM 0 HB3 ASN A 53 -5.718 -6.341 -1.978 1.00 23.25 H new ATOM 0 HD21 ASN A 53 -7.847 -6.951 -1.489 1.00 65.51 H new ATOM 0 HD22 ASN A 53 -9.256 -6.098 -2.129 1.00 65.51 H new ATOM 821 N TYR A 54 -2.817 -4.327 -3.714 1.00 64.31 N ATOM 822 CA TYR A 54 -1.376 -4.558 -3.541 1.00 43.24 C ATOM 823 C TYR A 54 -0.551 -3.301 -3.844 1.00 43.12 C ATOM 824 O TYR A 54 -1.069 -2.307 -4.355 1.00 12.11 O ATOM 825 CB TYR A 54 -0.905 -5.719 -4.437 1.00 31.12 C ATOM 826 CG TYR A 54 -0.958 -5.420 -5.928 1.00 41.22 C ATOM 827 CD1 TYR A 54 0.101 -4.781 -6.571 1.00 70.33 C ATOM 828 CD2 TYR A 54 -2.062 -5.779 -6.693 1.00 55.34 C ATOM 829 CE1 TYR A 54 0.052 -4.502 -7.922 1.00 20.10 C ATOM 830 CE2 TYR A 54 -2.113 -5.504 -8.046 1.00 13.32 C ATOM 831 CZ TYR A 54 -1.056 -4.867 -8.655 1.00 34.03 C ATOM 832 OH TYR A 54 -1.107 -4.591 -10.003 1.00 31.20 O ATOM 0 H TYR A 54 -3.059 -3.698 -4.479 1.00 64.31 H new ATOM 0 HA TYR A 54 -1.216 -4.818 -2.495 1.00 43.24 H new ATOM 0 HB2 TYR A 54 0.118 -5.979 -4.167 1.00 31.12 H new ATOM 0 HB3 TYR A 54 -1.521 -6.594 -4.232 1.00 31.12 H new ATOM 0 HD1 TYR A 54 0.975 -4.499 -6.002 1.00 70.33 H new ATOM 0 HD2 TYR A 54 -2.894 -6.281 -6.222 1.00 55.34 H new ATOM 0 HE1 TYR A 54 0.879 -4.000 -8.402 1.00 20.10 H new ATOM 0 HE2 TYR A 54 -2.980 -5.788 -8.624 1.00 13.32 H new ATOM 0 HH TYR A 54 -1.955 -4.915 -10.371 1.00 31.20 H new ATOM 842 N ALA A 55 0.743 -3.367 -3.537 1.00 34.02 N ATOM 843 CA ALA A 55 1.676 -2.275 -3.828 1.00 34.43 C ATOM 844 C ALA A 55 2.968 -2.799 -4.474 1.00 23.14 C ATOM 845 O ALA A 55 3.516 -3.815 -4.042 1.00 72.00 O ATOM 846 CB ALA A 55 2.002 -1.513 -2.548 1.00 12.21 C ATOM 0 H ALA A 55 1.174 -4.172 -3.083 1.00 34.02 H new ATOM 0 HA ALA A 55 1.196 -1.601 -4.538 1.00 34.43 H new ATOM 0 HB1 ALA A 55 2.696 -0.703 -2.773 1.00 12.21 H new ATOM 0 HB2 ALA A 55 1.086 -1.099 -2.128 1.00 12.21 H new ATOM 0 HB3 ALA A 55 2.458 -2.191 -1.827 1.00 12.21 H new ATOM 852 N GLU A 56 3.441 -2.109 -5.512 1.00 53.54 N ATOM 853 CA GLU A 56 4.716 -2.453 -6.159 1.00 60.34 C ATOM 854 C GLU A 56 5.890 -1.766 -5.445 1.00 34.32 C ATOM 855 O GLU A 56 5.987 -0.537 -5.417 1.00 52.35 O ATOM 856 CB GLU A 56 4.712 -2.060 -7.646 1.00 0.33 C ATOM 857 CG GLU A 56 3.774 -2.894 -8.516 1.00 0.34 C ATOM 858 CD GLU A 56 3.938 -2.601 -10.004 1.00 11.44 C ATOM 859 OE1 GLU A 56 4.930 -3.073 -10.606 1.00 52.33 O ATOM 860 OE2 GLU A 56 3.087 -1.893 -10.580 1.00 21.55 O ATOM 0 H GLU A 56 2.964 -1.308 -5.926 1.00 53.54 H new ATOM 0 HA GLU A 56 4.838 -3.534 -6.087 1.00 60.34 H new ATOM 0 HB2 GLU A 56 4.430 -1.011 -7.731 1.00 0.33 H new ATOM 0 HB3 GLU A 56 5.726 -2.150 -8.036 1.00 0.33 H new ATOM 0 HG2 GLU A 56 3.962 -3.952 -8.335 1.00 0.34 H new ATOM 0 HG3 GLU A 56 2.743 -2.699 -8.223 1.00 0.34 H new ATOM 867 N ILE A 57 6.781 -2.576 -4.887 1.00 64.24 N ATOM 868 CA ILE A 57 7.880 -2.090 -4.048 1.00 24.40 C ATOM 869 C ILE A 57 9.253 -2.328 -4.705 1.00 73.25 C ATOM 870 O ILE A 57 9.462 -3.343 -5.371 1.00 41.02 O ATOM 871 CB ILE A 57 7.842 -2.816 -2.680 1.00 71.21 C ATOM 872 CG1 ILE A 57 6.433 -2.705 -2.070 1.00 71.42 C ATOM 873 CG2 ILE A 57 8.893 -2.244 -1.724 1.00 62.13 C ATOM 874 CD1 ILE A 57 6.153 -3.716 -0.983 1.00 24.03 C ATOM 0 H ILE A 57 6.766 -3.590 -5.001 1.00 64.24 H new ATOM 0 HA ILE A 57 7.749 -1.016 -3.918 1.00 24.40 H new ATOM 0 HB ILE A 57 8.077 -3.868 -2.838 1.00 71.21 H new ATOM 0 HG12 ILE A 57 6.303 -1.703 -1.662 1.00 71.42 H new ATOM 0 HG13 ILE A 57 5.695 -2.825 -2.863 1.00 71.42 H new ATOM 0 HG21 ILE A 57 8.844 -2.772 -0.772 1.00 62.13 H new ATOM 0 HG22 ILE A 57 9.885 -2.369 -2.157 1.00 62.13 H new ATOM 0 HG23 ILE A 57 8.699 -1.184 -1.562 1.00 62.13 H new ATOM 0 HD11 ILE A 57 5.141 -3.572 -0.605 1.00 24.03 H new ATOM 0 HD12 ILE A 57 6.249 -4.723 -1.389 1.00 24.03 H new ATOM 0 HD13 ILE A 57 6.867 -3.583 -0.170 1.00 24.03 H new ATOM 886 N ASN A 58 10.180 -1.384 -4.522 1.00 21.03 N ATOM 887 CA ASN A 58 11.560 -1.544 -5.002 1.00 44.12 C ATOM 888 C ASN A 58 12.271 -2.676 -4.240 1.00 2.31 C ATOM 889 O ASN A 58 12.037 -2.869 -3.046 1.00 31.01 O ATOM 890 CB ASN A 58 12.334 -0.230 -4.830 1.00 41.12 C ATOM 891 CG ASN A 58 13.774 -0.335 -5.302 1.00 1.51 C ATOM 892 OD1 ASN A 58 14.656 -0.716 -4.553 1.00 73.12 O ATOM 893 ND2 ASN A 58 14.027 0.008 -6.543 1.00 63.20 N ATOM 0 H ASN A 58 10.002 -0.500 -4.045 1.00 21.03 H new ATOM 0 HA ASN A 58 11.529 -1.804 -6.060 1.00 44.12 H new ATOM 0 HB2 ASN A 58 11.830 0.560 -5.386 1.00 41.12 H new ATOM 0 HB3 ASN A 58 12.320 0.061 -3.780 1.00 41.12 H new ATOM 0 HD21 ASN A 58 14.981 -0.041 -6.901 1.00 63.20 H new ATOM 0 HD22 ASN A 58 13.270 0.324 -7.149 1.00 63.20 H new ATOM 900 N GLU A 59 13.147 -3.417 -4.923 1.00 62.34 N ATOM 901 CA GLU A 59 13.821 -4.570 -4.306 1.00 10.45 C ATOM 902 C GLU A 59 14.703 -4.167 -3.109 1.00 41.43 C ATOM 903 O GLU A 59 14.843 -4.925 -2.153 1.00 20.54 O ATOM 904 CB GLU A 59 14.647 -5.345 -5.340 1.00 14.13 C ATOM 905 CG GLU A 59 15.341 -6.572 -4.753 1.00 22.12 C ATOM 906 CD GLU A 59 15.745 -7.594 -5.804 1.00 32.32 C ATOM 907 OE1 GLU A 59 14.886 -8.405 -6.212 1.00 13.34 O ATOM 908 OE2 GLU A 59 16.918 -7.592 -6.233 1.00 33.04 O ATOM 0 H GLU A 59 13.407 -3.245 -5.894 1.00 62.34 H new ATOM 0 HA GLU A 59 13.034 -5.221 -3.925 1.00 10.45 H new ATOM 0 HB2 GLU A 59 13.996 -5.659 -6.156 1.00 14.13 H new ATOM 0 HB3 GLU A 59 15.397 -4.681 -5.769 1.00 14.13 H new ATOM 0 HG2 GLU A 59 16.228 -6.252 -4.207 1.00 22.12 H new ATOM 0 HG3 GLU A 59 14.676 -7.047 -4.031 1.00 22.12 H new ATOM 915 N GLU A 60 15.288 -2.978 -3.160 1.00 53.34 N ATOM 916 CA GLU A 60 16.079 -2.453 -2.037 1.00 33.23 C ATOM 917 C GLU A 60 15.239 -2.352 -0.751 1.00 41.40 C ATOM 918 O GLU A 60 15.589 -2.934 0.275 1.00 10.12 O ATOM 919 CB GLU A 60 16.646 -1.075 -2.392 1.00 52.32 C ATOM 920 CG GLU A 60 17.721 -1.100 -3.473 1.00 12.33 C ATOM 921 CD GLU A 60 19.047 -1.627 -2.954 1.00 34.33 C ATOM 922 OE1 GLU A 60 19.808 -0.833 -2.361 1.00 4.33 O ATOM 923 OE2 GLU A 60 19.329 -2.830 -3.128 1.00 54.04 O ATOM 0 H GLU A 60 15.234 -2.353 -3.964 1.00 53.34 H new ATOM 0 HA GLU A 60 16.897 -3.150 -1.854 1.00 33.23 H new ATOM 0 HB2 GLU A 60 15.830 -0.433 -2.722 1.00 52.32 H new ATOM 0 HB3 GLU A 60 17.063 -0.623 -1.492 1.00 52.32 H new ATOM 0 HG2 GLU A 60 17.385 -1.722 -4.302 1.00 12.33 H new ATOM 0 HG3 GLU A 60 17.861 -0.093 -3.866 1.00 12.33 H new ATOM 930 N ASP A 61 14.136 -1.607 -0.816 1.00 74.20 N ATOM 931 CA ASP A 61 13.213 -1.477 0.319 1.00 52.05 C ATOM 932 C ASP A 61 12.599 -2.847 0.681 1.00 4.42 C ATOM 933 O ASP A 61 12.397 -3.170 1.855 1.00 62.24 O ATOM 934 CB ASP A 61 12.112 -0.470 -0.028 1.00 32.51 C ATOM 935 CG ASP A 61 12.677 0.869 -0.483 1.00 53.23 C ATOM 936 OD1 ASP A 61 13.048 0.988 -1.672 1.00 62.23 O ATOM 937 OD2 ASP A 61 12.759 1.802 0.341 1.00 1.32 O ATOM 0 H ASP A 61 13.856 -1.081 -1.644 1.00 74.20 H new ATOM 0 HA ASP A 61 13.766 -1.116 1.186 1.00 52.05 H new ATOM 0 HB2 ASP A 61 11.481 -0.882 -0.815 1.00 32.51 H new ATOM 0 HB3 ASP A 61 11.475 -0.316 0.843 1.00 32.51 H new ATOM 942 N TRP A 62 12.321 -3.640 -0.353 1.00 64.51 N ATOM 943 CA TRP A 62 11.839 -5.023 -0.206 1.00 1.44 C ATOM 944 C TRP A 62 12.779 -5.842 0.701 1.00 72.55 C ATOM 945 O TRP A 62 12.345 -6.471 1.673 1.00 64.23 O ATOM 946 CB TRP A 62 11.755 -5.652 -1.608 1.00 21.24 C ATOM 947 CG TRP A 62 11.214 -7.049 -1.658 1.00 11.35 C ATOM 948 CD1 TRP A 62 11.920 -8.210 -1.526 1.00 34.45 C ATOM 949 CD2 TRP A 62 9.856 -7.426 -1.894 1.00 34.22 C ATOM 950 NE1 TRP A 62 11.080 -9.286 -1.657 1.00 52.24 N ATOM 951 CE2 TRP A 62 9.807 -8.832 -1.877 1.00 22.21 C ATOM 952 CE3 TRP A 62 8.674 -6.712 -2.105 1.00 55.31 C ATOM 953 CZ2 TRP A 62 8.624 -9.535 -2.074 1.00 51.45 C ATOM 954 CZ3 TRP A 62 7.501 -7.412 -2.298 1.00 20.34 C ATOM 955 CH2 TRP A 62 7.482 -8.811 -2.279 1.00 1.25 C ATOM 0 H TRP A 62 12.423 -3.344 -1.324 1.00 64.51 H new ATOM 0 HA TRP A 62 10.856 -5.023 0.265 1.00 1.44 H new ATOM 0 HB2 TRP A 62 11.130 -5.016 -2.235 1.00 21.24 H new ATOM 0 HB3 TRP A 62 12.752 -5.651 -2.048 1.00 21.24 H new ATOM 0 HD1 TRP A 62 12.983 -8.272 -1.345 1.00 34.45 H new ATOM 0 HE1 TRP A 62 11.358 -10.266 -1.600 1.00 52.24 H new ATOM 0 HE3 TRP A 62 8.678 -5.632 -2.117 1.00 55.31 H new ATOM 0 HZ2 TRP A 62 8.607 -10.615 -2.065 1.00 51.45 H new ATOM 0 HZ3 TRP A 62 6.582 -6.871 -2.467 1.00 20.34 H new ATOM 0 HH2 TRP A 62 6.547 -9.330 -2.429 1.00 1.25 H new ATOM 966 N ASN A 63 14.067 -5.814 0.371 1.00 31.13 N ATOM 967 CA ASN A 63 15.107 -6.480 1.162 1.00 3.32 C ATOM 968 C ASN A 63 15.276 -5.815 2.537 1.00 3.10 C ATOM 969 O ASN A 63 15.478 -6.489 3.549 1.00 55.44 O ATOM 970 CB ASN A 63 16.436 -6.435 0.399 1.00 63.52 C ATOM 971 CG ASN A 63 16.410 -7.264 -0.873 1.00 24.14 C ATOM 972 OD1 ASN A 63 15.355 -7.600 -1.399 1.00 13.32 O ATOM 973 ND2 ASN A 63 17.575 -7.582 -1.391 1.00 5.32 N ATOM 0 H ASN A 63 14.423 -5.329 -0.453 1.00 31.13 H new ATOM 0 HA ASN A 63 14.805 -7.515 1.323 1.00 3.32 H new ATOM 0 HB2 ASN A 63 16.672 -5.401 0.149 1.00 63.52 H new ATOM 0 HB3 ASN A 63 17.235 -6.796 1.047 1.00 63.52 H new ATOM 0 HD21 ASN A 63 17.619 -8.123 -2.254 1.00 5.32 H new ATOM 0 HD22 ASN A 63 18.436 -7.288 -0.930 1.00 5.32 H new ATOM 980 N ALA A 64 15.183 -4.487 2.564 1.00 65.35 N ATOM 981 CA ALA A 64 15.313 -3.714 3.803 1.00 33.05 C ATOM 982 C ALA A 64 14.241 -4.098 4.838 1.00 50.13 C ATOM 983 O ALA A 64 14.490 -4.072 6.044 1.00 5.25 O ATOM 984 CB ALA A 64 15.241 -2.223 3.491 1.00 13.31 C ATOM 0 H ALA A 64 15.017 -3.917 1.735 1.00 65.35 H new ATOM 0 HA ALA A 64 16.283 -3.948 4.242 1.00 33.05 H new ATOM 0 HB1 ALA A 64 15.338 -1.653 4.415 1.00 13.31 H new ATOM 0 HB2 ALA A 64 16.050 -1.954 2.812 1.00 13.31 H new ATOM 0 HB3 ALA A 64 14.283 -1.995 3.023 1.00 13.31 H new ATOM 990 N LEU A 65 13.047 -4.444 4.359 1.00 41.14 N ATOM 991 CA LEU A 65 11.949 -4.871 5.238 1.00 0.34 C ATOM 992 C LEU A 65 11.882 -6.402 5.378 1.00 4.01 C ATOM 993 O LEU A 65 11.112 -6.925 6.188 1.00 30.30 O ATOM 994 CB LEU A 65 10.611 -4.341 4.699 1.00 43.23 C ATOM 995 CG LEU A 65 10.460 -2.810 4.703 1.00 73.15 C ATOM 996 CD1 LEU A 65 9.183 -2.383 3.983 1.00 2.12 C ATOM 997 CD2 LEU A 65 10.479 -2.273 6.133 1.00 72.34 C ATOM 0 H LEU A 65 12.811 -4.438 3.367 1.00 41.14 H new ATOM 0 HA LEU A 65 12.142 -4.456 6.227 1.00 0.34 H new ATOM 0 HB2 LEU A 65 10.482 -4.700 3.678 1.00 43.23 H new ATOM 0 HB3 LEU A 65 9.804 -4.771 5.292 1.00 43.23 H new ATOM 0 HG LEU A 65 11.307 -2.385 4.164 1.00 73.15 H new ATOM 0 HD11 LEU A 65 9.101 -1.296 4.001 1.00 2.12 H new ATOM 0 HD12 LEU A 65 9.215 -2.728 2.949 1.00 2.12 H new ATOM 0 HD13 LEU A 65 8.319 -2.820 4.484 1.00 2.12 H new ATOM 0 HD21 LEU A 65 10.371 -1.188 6.116 1.00 72.34 H new ATOM 0 HD22 LEU A 65 9.655 -2.711 6.697 1.00 72.34 H new ATOM 0 HD23 LEU A 65 11.424 -2.536 6.608 1.00 72.34 H new ATOM 1009 N GLY A 66 12.688 -7.115 4.592 1.00 1.22 N ATOM 1010 CA GLY A 66 12.655 -8.577 4.605 1.00 25.42 C ATOM 1011 C GLY A 66 11.320 -9.140 4.115 1.00 5.14 C ATOM 1012 O GLY A 66 10.723 -10.015 4.748 1.00 64.52 O ATOM 0 H GLY A 66 13.365 -6.710 3.945 1.00 1.22 H new ATOM 0 HA2 GLY A 66 13.459 -8.960 3.977 1.00 25.42 H new ATOM 0 HA3 GLY A 66 12.845 -8.932 5.618 1.00 25.42 H new ATOM 1016 N LEU A 67 10.852 -8.630 2.983 1.00 4.54 N ATOM 1017 CA LEU A 67 9.561 -9.030 2.422 1.00 64.41 C ATOM 1018 C LEU A 67 9.671 -10.283 1.538 1.00 43.34 C ATOM 1019 O LEU A 67 10.655 -10.479 0.824 1.00 13.01 O ATOM 1020 CB LEU A 67 8.973 -7.870 1.607 1.00 61.33 C ATOM 1021 CG LEU A 67 8.574 -6.637 2.429 1.00 21.15 C ATOM 1022 CD1 LEU A 67 8.279 -5.448 1.516 1.00 5.11 C ATOM 1023 CD2 LEU A 67 7.367 -6.950 3.306 1.00 73.21 C ATOM 0 H LEU A 67 11.349 -7.933 2.429 1.00 4.54 H new ATOM 0 HA LEU A 67 8.903 -9.277 3.255 1.00 64.41 H new ATOM 0 HB2 LEU A 67 9.703 -7.567 0.856 1.00 61.33 H new ATOM 0 HB3 LEU A 67 8.095 -8.231 1.071 1.00 61.33 H new ATOM 0 HG LEU A 67 9.412 -6.371 3.074 1.00 21.15 H new ATOM 0 HD11 LEU A 67 7.998 -4.586 2.121 1.00 5.11 H new ATOM 0 HD12 LEU A 67 9.168 -5.208 0.932 1.00 5.11 H new ATOM 0 HD13 LEU A 67 7.460 -5.701 0.843 1.00 5.11 H new ATOM 0 HD21 LEU A 67 7.097 -6.065 3.882 1.00 73.21 H new ATOM 0 HD22 LEU A 67 6.527 -7.244 2.677 1.00 73.21 H new ATOM 0 HD23 LEU A 67 7.613 -7.765 3.986 1.00 73.21 H new ATOM 1035 N GLN A 68 8.652 -11.128 1.619 1.00 71.41 N ATOM 1036 CA GLN A 68 8.505 -12.283 0.730 1.00 33.24 C ATOM 1037 C GLN A 68 7.319 -12.052 -0.222 1.00 20.31 C ATOM 1038 O GLN A 68 6.373 -11.335 0.114 1.00 53.24 O ATOM 1039 CB GLN A 68 8.284 -13.559 1.560 1.00 12.05 C ATOM 1040 CG GLN A 68 8.117 -14.829 0.731 1.00 72.25 C ATOM 1041 CD GLN A 68 7.787 -16.055 1.572 1.00 74.15 C ATOM 1042 OE1 GLN A 68 7.053 -15.863 2.654 1.00 54.24 O flip ATOM 1043 NE2 GLN A 68 8.161 -17.174 1.234 1.00 23.10 N flip ATOM 0 H GLN A 68 7.901 -11.036 2.302 1.00 71.41 H new ATOM 0 HA GLN A 68 9.414 -12.405 0.141 1.00 33.24 H new ATOM 0 HB2 GLN A 68 9.129 -13.689 2.236 1.00 12.05 H new ATOM 0 HB3 GLN A 68 7.398 -13.425 2.180 1.00 12.05 H new ATOM 0 HG2 GLN A 68 7.325 -14.675 -0.002 1.00 72.25 H new ATOM 0 HG3 GLN A 68 9.035 -15.015 0.174 1.00 72.25 H new ATOM 0 HE21 GLN A 68 8.727 -17.290 0.393 1.00 23.10 H new ATOM 0 HE22 GLN A 68 7.906 -17.988 1.794 1.00 23.10 H new ATOM 1052 N GLU A 69 7.371 -12.639 -1.412 1.00 11.02 N ATOM 1053 CA GLU A 69 6.308 -12.443 -2.404 1.00 61.54 C ATOM 1054 C GLU A 69 4.968 -13.000 -1.905 1.00 71.44 C ATOM 1055 O GLU A 69 4.746 -14.211 -1.884 1.00 51.21 O ATOM 1056 CB GLU A 69 6.712 -13.075 -3.740 1.00 15.30 C ATOM 1057 CG GLU A 69 7.947 -12.420 -4.347 1.00 44.03 C ATOM 1058 CD GLU A 69 8.512 -13.180 -5.537 1.00 32.45 C ATOM 1059 OE1 GLU A 69 9.123 -14.250 -5.323 1.00 45.30 O ATOM 1060 OE2 GLU A 69 8.368 -12.704 -6.683 1.00 72.21 O ATOM 0 H GLU A 69 8.129 -13.250 -1.717 1.00 11.02 H new ATOM 0 HA GLU A 69 6.173 -11.372 -2.556 1.00 61.54 H new ATOM 0 HB2 GLU A 69 6.904 -14.138 -3.592 1.00 15.30 H new ATOM 0 HB3 GLU A 69 5.881 -12.996 -4.441 1.00 15.30 H new ATOM 0 HG2 GLU A 69 7.695 -11.407 -4.659 1.00 44.03 H new ATOM 0 HG3 GLU A 69 8.718 -12.335 -3.581 1.00 44.03 H new ATOM 1067 N GLY A 70 4.084 -12.094 -1.497 1.00 21.25 N ATOM 1068 CA GLY A 70 2.794 -12.489 -0.931 1.00 61.41 C ATOM 1069 C GLY A 70 2.592 -12.029 0.517 1.00 51.35 C ATOM 1070 O GLY A 70 1.552 -12.313 1.123 1.00 73.42 O ATOM 0 H GLY A 70 4.234 -11.086 -1.546 1.00 21.25 H new ATOM 0 HA2 GLY A 70 1.995 -12.079 -1.548 1.00 61.41 H new ATOM 0 HA3 GLY A 70 2.705 -13.574 -0.974 1.00 61.41 H new ATOM 1074 N ASP A 71 3.591 -11.339 1.078 1.00 34.12 N ATOM 1075 CA ASP A 71 3.489 -10.772 2.431 1.00 51.43 C ATOM 1076 C ASP A 71 2.475 -9.615 2.493 1.00 51.43 C ATOM 1077 O ASP A 71 1.959 -9.160 1.470 1.00 44.43 O ATOM 1078 CB ASP A 71 4.860 -10.275 2.916 1.00 14.43 C ATOM 1079 CG ASP A 71 5.820 -11.397 3.286 1.00 2.13 C ATOM 1080 OD1 ASP A 71 5.545 -12.567 2.960 1.00 40.34 O ATOM 1081 OD2 ASP A 71 6.861 -11.102 3.919 1.00 3.03 O ATOM 0 H ASP A 71 4.482 -11.158 0.616 1.00 34.12 H new ATOM 0 HA ASP A 71 3.138 -11.571 3.085 1.00 51.43 H new ATOM 0 HB2 ASP A 71 5.313 -9.664 2.135 1.00 14.43 H new ATOM 0 HB3 ASP A 71 4.717 -9.630 3.783 1.00 14.43 H new ATOM 1086 N ARG A 72 2.196 -9.148 3.708 1.00 44.12 N ATOM 1087 CA ARG A 72 1.291 -8.011 3.924 1.00 62.23 C ATOM 1088 C ARG A 72 2.069 -6.771 4.399 1.00 14.14 C ATOM 1089 O ARG A 72 2.797 -6.820 5.394 1.00 54.31 O ATOM 1090 CB ARG A 72 0.224 -8.383 4.963 1.00 32.11 C ATOM 1091 CG ARG A 72 -0.569 -9.642 4.611 1.00 41.24 C ATOM 1092 CD ARG A 72 -1.495 -10.057 5.745 1.00 43.01 C ATOM 1093 NE ARG A 72 -2.168 -11.327 5.478 1.00 23.15 N ATOM 1094 CZ ARG A 72 -1.729 -12.490 5.877 1.00 41.22 C ATOM 1095 NH1 ARG A 72 -0.603 -12.592 6.517 1.00 3.03 N ATOM 1096 NH2 ARG A 72 -2.422 -13.553 5.630 1.00 63.21 N ATOM 0 H ARG A 72 2.584 -9.540 4.566 1.00 44.12 H new ATOM 0 HA ARG A 72 0.809 -7.773 2.976 1.00 62.23 H new ATOM 0 HB2 ARG A 72 0.707 -8.527 5.930 1.00 32.11 H new ATOM 0 HB3 ARG A 72 -0.468 -7.548 5.074 1.00 32.11 H new ATOM 0 HG2 ARG A 72 -1.155 -9.463 3.709 1.00 41.24 H new ATOM 0 HG3 ARG A 72 0.120 -10.456 4.387 1.00 41.24 H new ATOM 0 HD2 ARG A 72 -0.921 -10.140 6.668 1.00 43.01 H new ATOM 0 HD3 ARG A 72 -2.242 -9.279 5.904 1.00 43.01 H new ATOM 0 HE ARG A 72 -3.037 -11.303 4.945 1.00 23.15 H new ATOM 0 HH11 ARG A 72 -0.051 -11.757 6.713 1.00 3.03 H new ATOM 0 HH12 ARG A 72 -0.271 -13.507 6.823 1.00 3.03 H new ATOM 0 HH21 ARG A 72 -3.306 -13.480 5.126 1.00 63.21 H new ATOM 0 HH22 ARG A 72 -2.085 -14.465 5.939 1.00 63.21 H new ATOM 1110 N VAL A 73 1.904 -5.658 3.688 1.00 42.52 N ATOM 1111 CA VAL A 73 2.584 -4.407 4.043 1.00 54.11 C ATOM 1112 C VAL A 73 1.594 -3.327 4.489 1.00 61.33 C ATOM 1113 O VAL A 73 0.432 -3.310 4.081 1.00 43.31 O ATOM 1114 CB VAL A 73 3.440 -3.858 2.872 1.00 75.21 C ATOM 1115 CG1 VAL A 73 4.661 -4.743 2.636 1.00 63.50 C ATOM 1116 CG2 VAL A 73 2.605 -3.726 1.598 1.00 33.45 C ATOM 0 H VAL A 73 1.307 -5.593 2.863 1.00 42.52 H new ATOM 0 HA VAL A 73 3.243 -4.651 4.876 1.00 54.11 H new ATOM 0 HB VAL A 73 3.790 -2.863 3.145 1.00 75.21 H new ATOM 0 HG11 VAL A 73 5.248 -4.340 1.811 1.00 63.50 H new ATOM 0 HG12 VAL A 73 5.272 -4.767 3.538 1.00 63.50 H new ATOM 0 HG13 VAL A 73 4.336 -5.754 2.391 1.00 63.50 H new ATOM 0 HG21 VAL A 73 3.229 -3.339 0.792 1.00 33.45 H new ATOM 0 HG22 VAL A 73 2.214 -4.704 1.316 1.00 33.45 H new ATOM 0 HG23 VAL A 73 1.776 -3.041 1.776 1.00 33.45 H new ATOM 1126 N LYS A 74 2.072 -2.426 5.331 1.00 22.24 N ATOM 1127 CA LYS A 74 1.250 -1.357 5.889 1.00 74.21 C ATOM 1128 C LYS A 74 1.877 0.014 5.587 1.00 14.35 C ATOM 1129 O LYS A 74 3.018 0.284 5.965 1.00 53.14 O ATOM 1130 CB LYS A 74 1.120 -1.564 7.402 1.00 34.42 C ATOM 1131 CG LYS A 74 0.064 -0.715 8.079 1.00 45.02 C ATOM 1132 CD LYS A 74 -0.007 -1.062 9.558 1.00 0.10 C ATOM 1133 CE LYS A 74 -1.130 -0.336 10.266 1.00 1.31 C ATOM 1134 NZ LYS A 74 -2.465 -0.920 9.979 1.00 32.55 N ATOM 0 H LYS A 74 3.041 -2.412 5.649 1.00 22.24 H new ATOM 0 HA LYS A 74 0.260 -1.384 5.433 1.00 74.21 H new ATOM 0 HB2 LYS A 74 0.896 -2.614 7.591 1.00 34.42 H new ATOM 0 HB3 LYS A 74 2.084 -1.355 7.866 1.00 34.42 H new ATOM 0 HG2 LYS A 74 0.300 0.342 7.955 1.00 45.02 H new ATOM 0 HG3 LYS A 74 -0.906 -0.882 7.610 1.00 45.02 H new ATOM 0 HD2 LYS A 74 -0.145 -2.137 9.670 1.00 0.10 H new ATOM 0 HD3 LYS A 74 0.941 -0.811 10.033 1.00 0.10 H new ATOM 0 HE2 LYS A 74 -0.951 -0.361 11.341 1.00 1.31 H new ATOM 0 HE3 LYS A 74 -1.125 0.712 9.966 1.00 1.31 H new ATOM 0 HZ1 LYS A 74 -3.142 -0.157 9.776 1.00 32.55 H new ATOM 0 HZ2 LYS A 74 -2.398 -1.551 9.155 1.00 32.55 H new ATOM 0 HZ3 LYS A 74 -2.792 -1.462 10.804 1.00 32.55 H new ATOM 1148 N VAL A 75 1.134 0.870 4.891 1.00 61.55 N ATOM 1149 CA VAL A 75 1.636 2.195 4.504 1.00 33.14 C ATOM 1150 C VAL A 75 1.062 3.307 5.401 1.00 24.45 C ATOM 1151 O VAL A 75 -0.144 3.363 5.633 1.00 22.24 O ATOM 1152 CB VAL A 75 1.290 2.504 3.022 1.00 4.13 C ATOM 1153 CG1 VAL A 75 1.869 3.851 2.592 1.00 5.22 C ATOM 1154 CG2 VAL A 75 1.786 1.382 2.106 1.00 4.22 C ATOM 0 H VAL A 75 0.182 0.675 4.581 1.00 61.55 H new ATOM 0 HA VAL A 75 2.719 2.173 4.629 1.00 33.14 H new ATOM 0 HB VAL A 75 0.205 2.563 2.935 1.00 4.13 H new ATOM 0 HG11 VAL A 75 1.612 4.042 1.550 1.00 5.22 H new ATOM 0 HG12 VAL A 75 1.456 4.641 3.219 1.00 5.22 H new ATOM 0 HG13 VAL A 75 2.953 3.832 2.700 1.00 5.22 H new ATOM 0 HG21 VAL A 75 1.534 1.618 1.072 1.00 4.22 H new ATOM 0 HG22 VAL A 75 2.867 1.285 2.202 1.00 4.22 H new ATOM 0 HG23 VAL A 75 1.311 0.443 2.390 1.00 4.22 H new ATOM 1164 N LYS A 76 1.940 4.176 5.915 1.00 40.34 N ATOM 1165 CA LYS A 76 1.519 5.340 6.717 1.00 3.22 C ATOM 1166 C LYS A 76 1.954 6.652 6.043 1.00 44.20 C ATOM 1167 O LYS A 76 3.127 6.824 5.706 1.00 72.12 O ATOM 1168 CB LYS A 76 2.121 5.297 8.138 1.00 44.41 C ATOM 1169 CG LYS A 76 1.687 4.111 9.001 1.00 32.23 C ATOM 1170 CD LYS A 76 2.416 2.821 8.624 1.00 32.13 C ATOM 1171 CE LYS A 76 2.178 1.722 9.653 1.00 62.12 C ATOM 1172 NZ LYS A 76 2.823 2.022 10.961 1.00 61.34 N ATOM 0 H LYS A 76 2.950 4.098 5.792 1.00 40.34 H new ATOM 0 HA LYS A 76 0.432 5.299 6.787 1.00 3.22 H new ATOM 0 HB2 LYS A 76 3.208 5.284 8.053 1.00 44.41 H new ATOM 0 HB3 LYS A 76 1.853 6.218 8.655 1.00 44.41 H new ATOM 0 HG2 LYS A 76 1.876 4.339 10.050 1.00 32.23 H new ATOM 0 HG3 LYS A 76 0.612 3.962 8.896 1.00 32.23 H new ATOM 0 HD2 LYS A 76 2.077 2.483 7.645 1.00 32.13 H new ATOM 0 HD3 LYS A 76 3.485 3.017 8.541 1.00 32.13 H new ATOM 0 HE2 LYS A 76 1.106 1.592 9.801 1.00 62.12 H new ATOM 0 HE3 LYS A 76 2.564 0.778 9.268 1.00 62.12 H new ATOM 0 HZ1 LYS A 76 2.422 1.405 11.696 1.00 61.34 H new ATOM 0 HZ2 LYS A 76 3.847 1.855 10.890 1.00 61.34 H new ATOM 0 HZ3 LYS A 76 2.651 3.016 11.213 1.00 61.34 H new ATOM 1186 N THR A 77 1.014 7.575 5.852 1.00 12.04 N ATOM 1187 CA THR A 77 1.321 8.892 5.268 1.00 1.40 C ATOM 1188 C THR A 77 0.725 10.026 6.110 1.00 22.23 C ATOM 1189 O THR A 77 0.208 9.801 7.206 1.00 51.40 O ATOM 1190 CB THR A 77 0.772 9.035 3.825 1.00 1.44 C ATOM 1191 OG1 THR A 77 -0.660 9.151 3.848 1.00 44.24 O ATOM 1192 CG2 THR A 77 1.175 7.851 2.950 1.00 73.33 C ATOM 0 H THR A 77 0.031 7.442 6.091 1.00 12.04 H new ATOM 0 HA THR A 77 2.409 8.963 5.251 1.00 1.40 H new ATOM 0 HB THR A 77 1.206 9.938 3.397 1.00 1.44 H new ATOM 0 HG1 THR A 77 -1.050 8.323 4.200 1.00 44.24 H new ATOM 0 HG21 THR A 77 0.772 7.987 1.946 1.00 73.33 H new ATOM 0 HG22 THR A 77 2.262 7.789 2.899 1.00 73.33 H new ATOM 0 HG23 THR A 77 0.779 6.930 3.379 1.00 73.33 H new ATOM 1200 N GLU A 78 0.801 11.250 5.592 1.00 52.13 N ATOM 1201 CA GLU A 78 0.196 12.414 6.252 1.00 73.20 C ATOM 1202 C GLU A 78 -1.343 12.348 6.224 1.00 24.55 C ATOM 1203 O GLU A 78 -2.015 13.054 6.976 1.00 14.02 O ATOM 1204 CB GLU A 78 0.679 13.709 5.585 1.00 43.43 C ATOM 1205 CG GLU A 78 0.309 13.818 4.108 1.00 51.23 C ATOM 1206 CD GLU A 78 0.897 15.053 3.445 1.00 52.20 C ATOM 1207 OE1 GLU A 78 2.067 14.996 3.004 1.00 44.54 O ATOM 1208 OE2 GLU A 78 0.199 16.084 3.358 1.00 1.14 O ATOM 0 H GLU A 78 1.276 11.466 4.715 1.00 52.13 H new ATOM 0 HA GLU A 78 0.511 12.404 7.295 1.00 73.20 H new ATOM 0 HB2 GLU A 78 0.257 14.561 6.119 1.00 43.43 H new ATOM 0 HB3 GLU A 78 1.762 13.775 5.684 1.00 43.43 H new ATOM 0 HG2 GLU A 78 0.658 12.928 3.584 1.00 51.23 H new ATOM 0 HG3 GLU A 78 -0.776 13.840 4.010 1.00 51.23 H new ATOM 1215 N PHE A 79 -1.894 11.495 5.360 1.00 63.32 N ATOM 1216 CA PHE A 79 -3.350 11.355 5.230 1.00 54.21 C ATOM 1217 C PHE A 79 -3.900 10.224 6.120 1.00 60.13 C ATOM 1218 O PHE A 79 -4.896 10.410 6.824 1.00 70.52 O ATOM 1219 CB PHE A 79 -3.730 11.109 3.761 1.00 12.43 C ATOM 1220 CG PHE A 79 -3.434 12.286 2.861 1.00 22.41 C ATOM 1221 CD1 PHE A 79 -4.302 13.369 2.806 1.00 63.12 C ATOM 1222 CD2 PHE A 79 -2.286 12.318 2.082 1.00 71.33 C ATOM 1223 CE1 PHE A 79 -4.032 14.453 1.993 1.00 11.34 C ATOM 1224 CE2 PHE A 79 -2.013 13.400 1.268 1.00 5.21 C ATOM 1225 CZ PHE A 79 -2.886 14.469 1.224 1.00 63.12 C ATOM 0 H PHE A 79 -1.357 10.890 4.739 1.00 63.32 H new ATOM 0 HA PHE A 79 -3.802 12.287 5.568 1.00 54.21 H new ATOM 0 HB2 PHE A 79 -3.190 10.236 3.395 1.00 12.43 H new ATOM 0 HB3 PHE A 79 -4.793 10.874 3.702 1.00 12.43 H new ATOM 0 HD1 PHE A 79 -5.200 13.364 3.407 1.00 63.12 H new ATOM 0 HD2 PHE A 79 -1.597 11.487 2.113 1.00 71.33 H new ATOM 0 HE1 PHE A 79 -4.717 15.287 1.959 1.00 11.34 H new ATOM 0 HE2 PHE A 79 -1.117 13.410 0.666 1.00 5.21 H new ATOM 0 HZ PHE A 79 -2.672 15.316 0.589 1.00 63.12 H new ATOM 1235 N GLY A 80 -3.254 9.059 6.083 1.00 30.42 N ATOM 1236 CA GLY A 80 -3.707 7.925 6.884 1.00 52.52 C ATOM 1237 C GLY A 80 -2.858 6.673 6.690 1.00 3.42 C ATOM 1238 O GLY A 80 -1.693 6.758 6.292 1.00 14.51 O ATOM 0 H GLY A 80 -2.427 8.878 5.515 1.00 30.42 H new ATOM 0 HA2 GLY A 80 -3.694 8.205 7.937 1.00 52.52 H new ATOM 0 HA3 GLY A 80 -4.742 7.698 6.627 1.00 52.52 H new ATOM 1242 N GLU A 81 -3.438 5.510 6.980 1.00 65.14 N ATOM 1243 CA GLU A 81 -2.734 4.230 6.842 1.00 33.32 C ATOM 1244 C GLU A 81 -3.598 3.180 6.127 1.00 42.31 C ATOM 1245 O GLU A 81 -4.822 3.302 6.058 1.00 32.22 O ATOM 1246 CB GLU A 81 -2.329 3.688 8.220 1.00 74.24 C ATOM 1247 CG GLU A 81 -3.516 3.455 9.153 1.00 63.35 C ATOM 1248 CD GLU A 81 -3.223 2.446 10.252 1.00 61.23 C ATOM 1249 OE1 GLU A 81 -2.308 2.689 11.061 1.00 73.44 O ATOM 1250 OE2 GLU A 81 -3.901 1.390 10.292 1.00 64.14 O ATOM 0 H GLU A 81 -4.398 5.424 7.314 1.00 65.14 H new ATOM 0 HA GLU A 81 -1.845 4.418 6.241 1.00 33.32 H new ATOM 0 HB2 GLU A 81 -1.790 2.750 8.089 1.00 74.24 H new ATOM 0 HB3 GLU A 81 -1.639 4.389 8.690 1.00 74.24 H new ATOM 0 HG2 GLU A 81 -3.805 4.403 9.606 1.00 63.35 H new ATOM 0 HG3 GLU A 81 -4.368 3.108 8.568 1.00 63.35 H new ATOM 1257 N VAL A 82 -2.951 2.137 5.609 1.00 41.04 N ATOM 1258 CA VAL A 82 -3.665 1.027 4.964 1.00 42.32 C ATOM 1259 C VAL A 82 -2.785 -0.236 4.886 1.00 1.54 C ATOM 1260 O VAL A 82 -1.569 -0.146 4.700 1.00 32.45 O ATOM 1261 CB VAL A 82 -4.148 1.422 3.539 1.00 74.13 C ATOM 1262 CG1 VAL A 82 -2.973 1.562 2.571 1.00 31.41 C ATOM 1263 CG2 VAL A 82 -5.185 0.429 3.011 1.00 35.32 C ATOM 0 H VAL A 82 -1.936 2.034 5.621 1.00 41.04 H new ATOM 0 HA VAL A 82 -4.536 0.805 5.580 1.00 42.32 H new ATOM 0 HB VAL A 82 -4.630 2.397 3.614 1.00 74.13 H new ATOM 0 HG11 VAL A 82 -3.345 1.839 1.585 1.00 31.41 H new ATOM 0 HG12 VAL A 82 -2.294 2.334 2.932 1.00 31.41 H new ATOM 0 HG13 VAL A 82 -2.441 0.613 2.505 1.00 31.41 H new ATOM 0 HG21 VAL A 82 -5.504 0.732 2.013 1.00 35.32 H new ATOM 0 HG22 VAL A 82 -4.745 -0.567 2.965 1.00 35.32 H new ATOM 0 HG23 VAL A 82 -6.047 0.414 3.678 1.00 35.32 H new ATOM 1273 N VAL A 83 -3.396 -1.411 5.059 1.00 70.12 N ATOM 1274 CA VAL A 83 -2.679 -2.691 4.931 1.00 4.13 C ATOM 1275 C VAL A 83 -3.020 -3.377 3.593 1.00 31.34 C ATOM 1276 O VAL A 83 -4.180 -3.704 3.339 1.00 21.43 O ATOM 1277 CB VAL A 83 -3.017 -3.664 6.098 1.00 32.02 C ATOM 1278 CG1 VAL A 83 -2.191 -4.948 5.992 1.00 20.13 C ATOM 1279 CG2 VAL A 83 -2.800 -3.001 7.459 1.00 72.42 C ATOM 0 H VAL A 83 -4.385 -1.507 5.288 1.00 70.12 H new ATOM 0 HA VAL A 83 -1.614 -2.460 4.967 1.00 4.13 H new ATOM 0 HB VAL A 83 -4.073 -3.922 6.015 1.00 32.02 H new ATOM 0 HG11 VAL A 83 -2.444 -5.613 6.818 1.00 20.13 H new ATOM 0 HG12 VAL A 83 -2.410 -5.444 5.047 1.00 20.13 H new ATOM 0 HG13 VAL A 83 -1.130 -4.703 6.036 1.00 20.13 H new ATOM 0 HG21 VAL A 83 -3.045 -3.708 8.251 1.00 72.42 H new ATOM 0 HG22 VAL A 83 -1.757 -2.697 7.554 1.00 72.42 H new ATOM 0 HG23 VAL A 83 -3.442 -2.124 7.543 1.00 72.42 H new ATOM 1289 N VAL A 84 -2.008 -3.594 2.746 1.00 75.25 N ATOM 1290 CA VAL A 84 -2.201 -4.218 1.425 1.00 73.52 C ATOM 1291 C VAL A 84 -1.211 -5.376 1.192 1.00 51.32 C ATOM 1292 O VAL A 84 -0.363 -5.661 2.037 1.00 62.23 O ATOM 1293 CB VAL A 84 -2.036 -3.181 0.280 1.00 74.05 C ATOM 1294 CG1 VAL A 84 -3.065 -2.061 0.404 1.00 62.33 C ATOM 1295 CG2 VAL A 84 -0.617 -2.609 0.263 1.00 10.33 C ATOM 0 H VAL A 84 -1.040 -3.346 2.950 1.00 75.25 H new ATOM 0 HA VAL A 84 -3.218 -4.611 1.415 1.00 73.52 H new ATOM 0 HB VAL A 84 -2.208 -3.696 -0.665 1.00 74.05 H new ATOM 0 HG11 VAL A 84 -2.927 -1.349 -0.410 1.00 62.33 H new ATOM 0 HG12 VAL A 84 -4.069 -2.482 0.352 1.00 62.33 H new ATOM 0 HG13 VAL A 84 -2.934 -1.551 1.358 1.00 62.33 H new ATOM 0 HG21 VAL A 84 -0.526 -1.885 -0.547 1.00 10.33 H new ATOM 0 HG22 VAL A 84 -0.412 -2.117 1.214 1.00 10.33 H new ATOM 0 HG23 VAL A 84 0.099 -3.417 0.110 1.00 10.33 H new ATOM 1305 N PHE A 85 -1.326 -6.048 0.043 1.00 72.32 N ATOM 1306 CA PHE A 85 -0.396 -7.130 -0.322 1.00 34.13 C ATOM 1307 C PHE A 85 0.927 -6.577 -0.887 1.00 32.42 C ATOM 1308 O PHE A 85 0.946 -5.571 -1.600 1.00 74.23 O ATOM 1309 CB PHE A 85 -1.040 -8.082 -1.341 1.00 3.11 C ATOM 1310 CG PHE A 85 -2.187 -8.895 -0.784 1.00 64.54 C ATOM 1311 CD1 PHE A 85 -1.951 -9.908 0.138 1.00 72.44 C ATOM 1312 CD2 PHE A 85 -3.496 -8.655 -1.183 1.00 4.30 C ATOM 1313 CE1 PHE A 85 -2.993 -10.661 0.647 1.00 42.02 C ATOM 1314 CE2 PHE A 85 -4.541 -9.405 -0.676 1.00 61.04 C ATOM 1315 CZ PHE A 85 -4.289 -10.409 0.239 1.00 40.42 C ATOM 0 H PHE A 85 -2.051 -5.865 -0.651 1.00 72.32 H new ATOM 0 HA PHE A 85 -0.172 -7.683 0.590 1.00 34.13 H new ATOM 0 HB2 PHE A 85 -1.399 -7.500 -2.190 1.00 3.11 H new ATOM 0 HB3 PHE A 85 -0.277 -8.762 -1.720 1.00 3.11 H new ATOM 0 HD1 PHE A 85 -0.940 -10.110 0.461 1.00 72.44 H new ATOM 0 HD2 PHE A 85 -3.700 -7.872 -1.899 1.00 4.30 H new ATOM 0 HE1 PHE A 85 -2.794 -11.445 1.363 1.00 42.02 H new ATOM 0 HE2 PHE A 85 -5.553 -9.206 -0.995 1.00 61.04 H new ATOM 0 HZ PHE A 85 -5.104 -10.996 0.635 1.00 40.42 H new ATOM 1325 N ALA A 86 2.031 -7.255 -0.574 1.00 64.05 N ATOM 1326 CA ALA A 86 3.367 -6.823 -0.999 1.00 64.23 C ATOM 1327 C ALA A 86 3.802 -7.491 -2.310 1.00 0.20 C ATOM 1328 O ALA A 86 3.895 -8.720 -2.392 1.00 24.21 O ATOM 1329 CB ALA A 86 4.381 -7.125 0.098 1.00 0.53 C ATOM 0 H ALA A 86 2.028 -8.113 -0.023 1.00 64.05 H new ATOM 0 HA ALA A 86 3.323 -5.749 -1.178 1.00 64.23 H new ATOM 0 HB1 ALA A 86 5.371 -6.802 -0.223 1.00 0.53 H new ATOM 0 HB2 ALA A 86 4.103 -6.592 1.007 1.00 0.53 H new ATOM 0 HB3 ALA A 86 4.395 -8.197 0.295 1.00 0.53 H new ATOM 1335 N LYS A 87 4.070 -6.680 -3.333 1.00 74.22 N ATOM 1336 CA LYS A 87 4.597 -7.181 -4.607 1.00 54.54 C ATOM 1337 C LYS A 87 5.793 -6.353 -5.063 1.00 35.22 C ATOM 1338 O LYS A 87 5.900 -5.168 -4.758 1.00 30.14 O ATOM 1339 CB LYS A 87 3.506 -7.189 -5.694 1.00 74.15 C ATOM 1340 CG LYS A 87 2.284 -8.026 -5.345 1.00 74.32 C ATOM 1341 CD LYS A 87 1.362 -8.208 -6.548 1.00 2.31 C ATOM 1342 CE LYS A 87 0.057 -8.876 -6.152 1.00 24.51 C ATOM 1343 NZ LYS A 87 -0.753 -9.264 -7.336 1.00 43.33 N ATOM 0 H LYS A 87 3.931 -5.670 -3.306 1.00 74.22 H new ATOM 0 HA LYS A 87 4.927 -8.207 -4.448 1.00 54.54 H new ATOM 0 HB2 LYS A 87 3.188 -6.163 -5.882 1.00 74.15 H new ATOM 0 HB3 LYS A 87 3.937 -7.564 -6.622 1.00 74.15 H new ATOM 0 HG2 LYS A 87 2.604 -9.002 -4.980 1.00 74.32 H new ATOM 0 HG3 LYS A 87 1.734 -7.547 -4.534 1.00 74.32 H new ATOM 0 HD2 LYS A 87 1.153 -7.237 -6.998 1.00 2.31 H new ATOM 0 HD3 LYS A 87 1.865 -8.809 -7.306 1.00 2.31 H new ATOM 0 HE2 LYS A 87 0.270 -9.761 -5.553 1.00 24.51 H new ATOM 0 HE3 LYS A 87 -0.521 -8.198 -5.524 1.00 24.51 H new ATOM 0 HZ1 LYS A 87 -1.635 -9.716 -7.020 1.00 43.33 H new ATOM 0 HZ2 LYS A 87 -0.979 -8.416 -7.895 1.00 43.33 H new ATOM 0 HZ3 LYS A 87 -0.213 -9.931 -7.923 1.00 43.33 H new ATOM 1357 N LYS A 88 6.698 -6.991 -5.787 1.00 75.41 N ATOM 1358 CA LYS A 88 7.936 -6.353 -6.196 1.00 32.43 C ATOM 1359 C LYS A 88 7.788 -5.694 -7.575 1.00 45.24 C ATOM 1360 O LYS A 88 7.454 -6.354 -8.559 1.00 2.31 O ATOM 1361 CB LYS A 88 9.062 -7.385 -6.220 1.00 72.50 C ATOM 1362 CG LYS A 88 10.434 -6.749 -6.221 1.00 24.20 C ATOM 1363 CD LYS A 88 11.546 -7.779 -6.394 1.00 43.13 C ATOM 1364 CE LYS A 88 11.580 -8.787 -5.250 1.00 10.23 C ATOM 1365 NZ LYS A 88 12.575 -9.863 -5.489 1.00 41.11 N ATOM 0 H LYS A 88 6.596 -7.955 -6.104 1.00 75.41 H new ATOM 0 HA LYS A 88 8.178 -5.571 -5.476 1.00 32.43 H new ATOM 0 HB2 LYS A 88 8.969 -8.039 -5.353 1.00 72.50 H new ATOM 0 HB3 LYS A 88 8.956 -8.013 -7.105 1.00 72.50 H new ATOM 0 HG2 LYS A 88 10.492 -6.015 -7.025 1.00 24.20 H new ATOM 0 HG3 LYS A 88 10.583 -6.209 -5.286 1.00 24.20 H new ATOM 0 HD2 LYS A 88 11.406 -8.307 -7.337 1.00 43.13 H new ATOM 0 HD3 LYS A 88 12.507 -7.268 -6.454 1.00 43.13 H new ATOM 0 HE2 LYS A 88 11.819 -8.272 -4.319 1.00 10.23 H new ATOM 0 HE3 LYS A 88 10.591 -9.228 -5.125 1.00 10.23 H new ATOM 0 HZ1 LYS A 88 12.702 -10.418 -4.618 1.00 41.11 H new ATOM 0 HZ2 LYS A 88 12.237 -10.486 -6.250 1.00 41.11 H new ATOM 0 HZ3 LYS A 88 13.484 -9.440 -5.766 1.00 41.11 H new ATOM 1379 N GLY A 89 8.051 -4.392 -7.640 1.00 64.42 N ATOM 1380 CA GLY A 89 7.864 -3.647 -8.880 1.00 34.25 C ATOM 1381 C GLY A 89 9.141 -2.999 -9.397 1.00 60.41 C ATOM 1382 O GLY A 89 10.169 -2.989 -8.718 1.00 55.01 O ATOM 0 H GLY A 89 8.391 -3.835 -6.856 1.00 64.42 H new ATOM 0 HA2 GLY A 89 7.472 -4.320 -9.643 1.00 34.25 H new ATOM 0 HA3 GLY A 89 7.112 -2.874 -8.720 1.00 34.25 H new ATOM 1386 N ASP A 90 9.063 -2.430 -10.598 1.00 23.54 N ATOM 1387 CA ASP A 90 10.217 -1.790 -11.244 1.00 23.12 C ATOM 1388 C ASP A 90 10.423 -0.348 -10.750 1.00 61.41 C ATOM 1389 O ASP A 90 11.239 0.397 -11.298 1.00 22.15 O ATOM 1390 CB ASP A 90 10.023 -1.800 -12.760 1.00 62.31 C ATOM 1391 CG ASP A 90 9.883 -3.207 -13.305 1.00 14.25 C ATOM 1392 OD1 ASP A 90 8.780 -3.782 -13.198 1.00 21.42 O ATOM 1393 OD2 ASP A 90 10.876 -3.746 -13.832 1.00 52.34 O ATOM 0 H ASP A 90 8.207 -2.397 -11.151 1.00 23.54 H new ATOM 0 HA ASP A 90 11.109 -2.358 -10.979 1.00 23.12 H new ATOM 0 HB2 ASP A 90 9.135 -1.222 -13.016 1.00 62.31 H new ATOM 0 HB3 ASP A 90 10.871 -1.309 -13.237 1.00 62.31 H new ATOM 1398 N VAL A 91 9.692 0.028 -9.704 1.00 71.15 N ATOM 1399 CA VAL A 91 9.774 1.377 -9.133 1.00 21.12 C ATOM 1400 C VAL A 91 11.164 1.656 -8.530 1.00 21.15 C ATOM 1401 O VAL A 91 11.863 0.728 -8.118 1.00 43.13 O ATOM 1402 CB VAL A 91 8.689 1.580 -8.045 1.00 61.21 C ATOM 1403 CG1 VAL A 91 7.294 1.514 -8.659 1.00 4.41 C ATOM 1404 CG2 VAL A 91 8.843 0.543 -6.932 1.00 32.44 C ATOM 0 H VAL A 91 9.030 -0.585 -9.229 1.00 71.15 H new ATOM 0 HA VAL A 91 9.605 2.080 -9.948 1.00 21.12 H new ATOM 0 HB VAL A 91 8.821 2.570 -7.608 1.00 61.21 H new ATOM 0 HG11 VAL A 91 6.546 1.659 -7.879 1.00 4.41 H new ATOM 0 HG12 VAL A 91 7.190 2.296 -9.411 1.00 4.41 H new ATOM 0 HG13 VAL A 91 7.148 0.540 -9.126 1.00 4.41 H new ATOM 0 HG21 VAL A 91 8.072 0.702 -6.178 1.00 32.44 H new ATOM 0 HG22 VAL A 91 8.740 -0.458 -7.351 1.00 32.44 H new ATOM 0 HG23 VAL A 91 9.826 0.645 -6.473 1.00 32.44 H new ATOM 1414 N PRO A 92 11.586 2.938 -8.481 1.00 23.30 N ATOM 1415 CA PRO A 92 12.889 3.330 -7.907 1.00 23.51 C ATOM 1416 C PRO A 92 12.942 3.196 -6.372 1.00 34.55 C ATOM 1417 O PRO A 92 11.910 3.103 -5.707 1.00 65.20 O ATOM 1418 CB PRO A 92 13.025 4.800 -8.324 1.00 4.14 C ATOM 1419 CG PRO A 92 11.622 5.281 -8.478 1.00 55.04 C ATOM 1420 CD PRO A 92 10.837 4.104 -8.992 1.00 1.01 C ATOM 0 HA PRO A 92 13.694 2.687 -8.262 1.00 23.51 H new ATOM 0 HB2 PRO A 92 13.561 5.377 -7.571 1.00 4.14 H new ATOM 0 HB3 PRO A 92 13.582 4.897 -9.256 1.00 4.14 H new ATOM 0 HG2 PRO A 92 11.222 5.631 -7.526 1.00 55.04 H new ATOM 0 HG3 PRO A 92 11.570 6.119 -9.173 1.00 55.04 H new ATOM 0 HD2 PRO A 92 9.811 4.114 -8.624 1.00 1.01 H new ATOM 0 HD3 PRO A 92 10.785 4.101 -10.081 1.00 1.01 H new ATOM 1428 N LYS A 93 14.159 3.200 -5.816 1.00 24.33 N ATOM 1429 CA LYS A 93 14.356 3.023 -4.369 1.00 42.12 C ATOM 1430 C LYS A 93 13.729 4.176 -3.564 1.00 43.14 C ATOM 1431 O LYS A 93 13.932 5.352 -3.881 1.00 73.13 O ATOM 1432 CB LYS A 93 15.855 2.910 -4.054 1.00 22.22 C ATOM 1433 CG LYS A 93 16.157 2.576 -2.596 1.00 23.42 C ATOM 1434 CD LYS A 93 17.652 2.364 -2.366 1.00 11.41 C ATOM 1435 CE LYS A 93 17.941 1.846 -0.960 1.00 53.44 C ATOM 1436 NZ LYS A 93 19.371 1.475 -0.793 1.00 52.23 N ATOM 0 H LYS A 93 15.023 3.324 -6.344 1.00 24.33 H new ATOM 0 HA LYS A 93 13.853 2.102 -4.073 1.00 42.12 H new ATOM 0 HB2 LYS A 93 16.293 2.141 -4.691 1.00 22.22 H new ATOM 0 HB3 LYS A 93 16.342 3.851 -4.309 1.00 22.22 H new ATOM 0 HG2 LYS A 93 15.801 3.383 -1.956 1.00 23.42 H new ATOM 0 HG3 LYS A 93 15.613 1.677 -2.308 1.00 23.42 H new ATOM 0 HD2 LYS A 93 18.036 1.656 -3.100 1.00 11.41 H new ATOM 0 HD3 LYS A 93 18.181 3.304 -2.523 1.00 11.41 H new ATOM 0 HE2 LYS A 93 17.676 2.610 -0.229 1.00 53.44 H new ATOM 0 HE3 LYS A 93 17.314 0.978 -0.756 1.00 53.44 H new ATOM 0 HZ1 LYS A 93 19.583 1.356 0.218 1.00 52.23 H new ATOM 0 HZ2 LYS A 93 19.559 0.583 -1.293 1.00 52.23 H new ATOM 0 HZ3 LYS A 93 19.973 2.226 -1.187 1.00 52.23 H new ATOM 1450 N GLY A 94 12.987 3.831 -2.513 1.00 2.05 N ATOM 1451 CA GLY A 94 12.292 4.840 -1.721 1.00 53.35 C ATOM 1452 C GLY A 94 11.021 5.357 -2.388 1.00 72.22 C ATOM 1453 O GLY A 94 10.568 6.469 -2.108 1.00 5.12 O ATOM 0 H GLY A 94 12.853 2.871 -2.194 1.00 2.05 H new ATOM 0 HA2 GLY A 94 12.038 4.418 -0.749 1.00 53.35 H new ATOM 0 HA3 GLY A 94 12.966 5.677 -1.539 1.00 53.35 H new ATOM 1457 N MET A 95 10.437 4.552 -3.270 1.00 71.45 N ATOM 1458 CA MET A 95 9.208 4.922 -3.961 1.00 62.33 C ATOM 1459 C MET A 95 8.376 3.668 -4.289 1.00 21.13 C ATOM 1460 O MET A 95 8.922 2.652 -4.714 1.00 74.21 O ATOM 1461 CB MET A 95 9.571 5.689 -5.240 1.00 50.42 C ATOM 1462 CG MET A 95 8.410 6.434 -5.872 1.00 51.22 C ATOM 1463 SD MET A 95 8.940 7.499 -7.233 1.00 11.32 S ATOM 1464 CE MET A 95 7.474 8.499 -7.500 1.00 3.21 C ATOM 0 H MET A 95 10.799 3.633 -3.524 1.00 71.45 H new ATOM 0 HA MET A 95 8.602 5.560 -3.318 1.00 62.33 H new ATOM 0 HB2 MET A 95 10.363 6.402 -5.010 1.00 50.42 H new ATOM 0 HB3 MET A 95 9.976 4.987 -5.968 1.00 50.42 H new ATOM 0 HG2 MET A 95 7.677 5.716 -6.239 1.00 51.22 H new ATOM 0 HG3 MET A 95 7.912 7.038 -5.113 1.00 51.22 H new ATOM 0 HE1 MET A 95 7.125 8.367 -8.524 1.00 3.21 H new ATOM 0 HE2 MET A 95 6.691 8.189 -6.808 1.00 3.21 H new ATOM 0 HE3 MET A 95 7.714 9.549 -7.331 1.00 3.21 H new ATOM 1474 N ILE A 96 7.058 3.729 -4.082 1.00 14.14 N ATOM 1475 CA ILE A 96 6.185 2.570 -4.332 1.00 21.54 C ATOM 1476 C ILE A 96 4.969 2.940 -5.195 1.00 43.21 C ATOM 1477 O ILE A 96 4.416 4.036 -5.089 1.00 12.15 O ATOM 1478 CB ILE A 96 5.694 1.912 -3.012 1.00 12.41 C ATOM 1479 CG1 ILE A 96 4.872 2.907 -2.173 1.00 54.01 C ATOM 1480 CG2 ILE A 96 6.876 1.378 -2.203 1.00 2.31 C ATOM 1481 CD1 ILE A 96 4.283 2.308 -0.909 1.00 64.23 C ATOM 0 H ILE A 96 6.571 4.560 -3.745 1.00 14.14 H new ATOM 0 HA ILE A 96 6.797 1.851 -4.876 1.00 21.54 H new ATOM 0 HB ILE A 96 5.048 1.074 -3.274 1.00 12.41 H new ATOM 0 HG12 ILE A 96 5.508 3.750 -1.902 1.00 54.01 H new ATOM 0 HG13 ILE A 96 4.063 3.303 -2.787 1.00 54.01 H new ATOM 0 HG21 ILE A 96 6.511 0.922 -1.283 1.00 2.31 H new ATOM 0 HG22 ILE A 96 7.412 0.632 -2.790 1.00 2.31 H new ATOM 0 HG23 ILE A 96 7.550 2.199 -1.958 1.00 2.31 H new ATOM 0 HD11 ILE A 96 3.719 3.071 -0.373 1.00 64.23 H new ATOM 0 HD12 ILE A 96 3.620 1.484 -1.172 1.00 64.23 H new ATOM 0 HD13 ILE A 96 5.087 1.938 -0.273 1.00 64.23 H new ATOM 1493 N PHE A 97 4.556 2.008 -6.049 1.00 3.42 N ATOM 1494 CA PHE A 97 3.423 2.224 -6.957 1.00 21.25 C ATOM 1495 C PHE A 97 2.186 1.437 -6.505 1.00 53.43 C ATOM 1496 O PHE A 97 2.216 0.210 -6.428 1.00 71.43 O ATOM 1497 CB PHE A 97 3.811 1.807 -8.384 1.00 45.01 C ATOM 1498 CG PHE A 97 2.698 1.946 -9.399 1.00 61.14 C ATOM 1499 CD1 PHE A 97 2.490 3.145 -10.067 1.00 1.12 C ATOM 1500 CD2 PHE A 97 1.864 0.871 -9.690 1.00 73.34 C ATOM 1501 CE1 PHE A 97 1.477 3.269 -11.000 1.00 52.31 C ATOM 1502 CE2 PHE A 97 0.850 0.992 -10.621 1.00 1.13 C ATOM 1503 CZ PHE A 97 0.657 2.191 -11.278 1.00 41.23 C ATOM 0 H PHE A 97 4.989 1.089 -6.135 1.00 3.42 H new ATOM 0 HA PHE A 97 3.175 3.285 -6.939 1.00 21.25 H new ATOM 0 HB2 PHE A 97 4.659 2.410 -8.708 1.00 45.01 H new ATOM 0 HB3 PHE A 97 4.145 0.770 -8.368 1.00 45.01 H new ATOM 0 HD1 PHE A 97 3.127 3.991 -9.855 1.00 1.12 H new ATOM 0 HD2 PHE A 97 2.011 -0.070 -9.182 1.00 73.34 H new ATOM 0 HE1 PHE A 97 1.326 4.208 -11.512 1.00 52.31 H new ATOM 0 HE2 PHE A 97 0.209 0.149 -10.835 1.00 1.13 H new ATOM 0 HZ PHE A 97 -0.133 2.287 -12.008 1.00 41.23 H new ATOM 1513 N ILE A 98 1.099 2.143 -6.210 1.00 5.35 N ATOM 1514 CA ILE A 98 -0.169 1.497 -5.860 1.00 24.24 C ATOM 1515 C ILE A 98 -1.260 1.845 -6.885 1.00 65.05 C ATOM 1516 O ILE A 98 -1.494 3.018 -7.180 1.00 3.31 O ATOM 1517 CB ILE A 98 -0.652 1.906 -4.438 1.00 42.32 C ATOM 1518 CG1 ILE A 98 0.409 1.536 -3.388 1.00 61.25 C ATOM 1519 CG2 ILE A 98 -1.992 1.240 -4.108 1.00 70.21 C ATOM 1520 CD1 ILE A 98 -0.011 1.813 -1.957 1.00 54.11 C ATOM 0 H ILE A 98 1.067 3.162 -6.205 1.00 5.35 H new ATOM 0 HA ILE A 98 0.010 0.422 -5.869 1.00 24.24 H new ATOM 0 HB ILE A 98 -0.797 2.986 -4.420 1.00 42.32 H new ATOM 0 HG12 ILE A 98 0.648 0.477 -3.486 1.00 61.25 H new ATOM 0 HG13 ILE A 98 1.323 2.090 -3.600 1.00 61.25 H new ATOM 0 HG21 ILE A 98 -2.311 1.539 -3.110 1.00 70.21 H new ATOM 0 HG22 ILE A 98 -2.741 1.550 -4.837 1.00 70.21 H new ATOM 0 HG23 ILE A 98 -1.878 0.157 -4.143 1.00 70.21 H new ATOM 0 HD11 ILE A 98 0.793 1.524 -1.280 1.00 54.11 H new ATOM 0 HD12 ILE A 98 -0.221 2.876 -1.839 1.00 54.11 H new ATOM 0 HD13 ILE A 98 -0.907 1.238 -1.723 1.00 54.11 H new ATOM 1532 N PRO A 99 -1.925 0.834 -7.469 1.00 3.54 N ATOM 1533 CA PRO A 99 -3.056 1.065 -8.380 1.00 10.01 C ATOM 1534 C PRO A 99 -4.192 1.851 -7.699 1.00 30.02 C ATOM 1535 O PRO A 99 -4.601 1.526 -6.581 1.00 33.03 O ATOM 1536 CB PRO A 99 -3.513 -0.355 -8.765 1.00 52.44 C ATOM 1537 CG PRO A 99 -2.915 -1.255 -7.730 1.00 75.21 C ATOM 1538 CD PRO A 99 -1.632 -0.600 -7.304 1.00 61.03 C ATOM 0 HA PRO A 99 -2.774 1.669 -9.243 1.00 10.01 H new ATOM 0 HB2 PRO A 99 -4.600 -0.430 -8.771 1.00 52.44 H new ATOM 0 HB3 PRO A 99 -3.169 -0.622 -9.764 1.00 52.44 H new ATOM 0 HG2 PRO A 99 -3.590 -1.379 -6.883 1.00 75.21 H new ATOM 0 HG3 PRO A 99 -2.729 -2.249 -8.137 1.00 75.21 H new ATOM 0 HD2 PRO A 99 -1.377 -0.844 -6.273 1.00 61.03 H new ATOM 0 HD3 PRO A 99 -0.792 -0.915 -7.924 1.00 61.03 H new ATOM 1546 N MET A 100 -4.690 2.891 -8.376 1.00 33.21 N ATOM 1547 CA MET A 100 -5.729 3.767 -7.813 1.00 45.42 C ATOM 1548 C MET A 100 -6.931 2.975 -7.279 1.00 74.54 C ATOM 1549 O MET A 100 -7.650 2.321 -8.035 1.00 62.43 O ATOM 1550 CB MET A 100 -6.185 4.804 -8.856 1.00 72.30 C ATOM 1551 CG MET A 100 -7.557 5.427 -8.578 1.00 22.45 C ATOM 1552 SD MET A 100 -7.840 5.814 -6.833 1.00 70.23 S ATOM 1553 CE MET A 100 -6.513 6.963 -6.491 1.00 31.31 C ATOM 0 H MET A 100 -4.391 3.149 -9.317 1.00 33.21 H new ATOM 0 HA MET A 100 -5.285 4.288 -6.965 1.00 45.42 H new ATOM 0 HB2 MET A 100 -5.442 5.600 -8.906 1.00 72.30 H new ATOM 0 HB3 MET A 100 -6.209 4.328 -9.836 1.00 72.30 H new ATOM 0 HG2 MET A 100 -7.657 6.340 -9.164 1.00 22.45 H new ATOM 0 HG3 MET A 100 -8.333 4.742 -8.920 1.00 22.45 H new ATOM 0 HE1 MET A 100 -5.849 6.538 -5.738 1.00 31.31 H new ATOM 0 HE2 MET A 100 -5.951 7.152 -7.405 1.00 31.31 H new ATOM 0 HE3 MET A 100 -6.929 7.900 -6.121 1.00 31.31 H new ATOM 1563 N GLY A 101 -7.139 3.053 -5.966 1.00 60.40 N ATOM 1564 CA GLY A 101 -8.256 2.356 -5.340 1.00 61.35 C ATOM 1565 C GLY A 101 -8.473 2.783 -3.897 1.00 53.14 C ATOM 1566 O GLY A 101 -7.710 3.598 -3.378 1.00 55.21 O ATOM 0 H GLY A 101 -6.554 3.586 -5.322 1.00 60.40 H new ATOM 0 HA2 GLY A 101 -9.164 2.545 -5.912 1.00 61.35 H new ATOM 0 HA3 GLY A 101 -8.075 1.282 -5.374 1.00 61.35 H new ATOM 1570 N PRO A 102 -9.494 2.238 -3.207 1.00 23.30 N ATOM 1571 CA PRO A 102 -9.822 2.627 -1.818 1.00 60.04 C ATOM 1572 C PRO A 102 -8.606 2.531 -0.890 1.00 44.23 C ATOM 1573 O PRO A 102 -8.439 3.335 0.023 1.00 13.25 O ATOM 1574 CB PRO A 102 -10.913 1.615 -1.404 1.00 2.23 C ATOM 1575 CG PRO A 102 -10.847 0.525 -2.427 1.00 35.32 C ATOM 1576 CD PRO A 102 -10.394 1.187 -3.700 1.00 10.02 C ATOM 0 HA PRO A 102 -10.149 3.665 -1.749 1.00 60.04 H new ATOM 0 HB2 PRO A 102 -10.730 1.226 -0.402 1.00 2.23 H new ATOM 0 HB3 PRO A 102 -11.898 2.082 -1.389 1.00 2.23 H new ATOM 0 HG2 PRO A 102 -10.150 -0.256 -2.122 1.00 35.32 H new ATOM 0 HG3 PRO A 102 -11.820 0.051 -2.557 1.00 35.32 H new ATOM 0 HD2 PRO A 102 -9.880 0.489 -4.360 1.00 10.02 H new ATOM 0 HD3 PRO A 102 -11.231 1.600 -4.263 1.00 10.02 H new ATOM 1584 N TYR A 103 -7.747 1.556 -1.164 1.00 2.44 N ATOM 1585 CA TYR A 103 -6.518 1.362 -0.398 1.00 23.53 C ATOM 1586 C TYR A 103 -5.572 2.559 -0.581 1.00 23.55 C ATOM 1587 O TYR A 103 -5.052 3.111 0.389 1.00 72.32 O ATOM 1588 CB TYR A 103 -5.838 0.061 -0.840 1.00 74.23 C ATOM 1589 CG TYR A 103 -6.724 -1.163 -0.674 1.00 62.43 C ATOM 1590 CD1 TYR A 103 -7.731 -1.449 -1.591 1.00 43.31 C ATOM 1591 CD2 TYR A 103 -6.564 -2.023 0.407 1.00 14.12 C ATOM 1592 CE1 TYR A 103 -8.548 -2.550 -1.437 1.00 42.20 C ATOM 1593 CE2 TYR A 103 -7.378 -3.125 0.567 1.00 14.23 C ATOM 1594 CZ TYR A 103 -8.369 -3.385 -0.355 1.00 32.23 C ATOM 1595 OH TYR A 103 -9.184 -4.484 -0.196 1.00 25.13 O ATOM 0 H TYR A 103 -7.880 0.881 -1.917 1.00 2.44 H new ATOM 0 HA TYR A 103 -6.766 1.290 0.661 1.00 23.53 H new ATOM 0 HB2 TYR A 103 -5.543 0.149 -1.886 1.00 74.23 H new ATOM 0 HB3 TYR A 103 -4.924 -0.079 -0.262 1.00 74.23 H new ATOM 0 HD1 TYR A 103 -7.876 -0.797 -2.439 1.00 43.31 H new ATOM 0 HD2 TYR A 103 -5.790 -1.825 1.133 1.00 14.12 H new ATOM 0 HE1 TYR A 103 -9.323 -2.756 -2.160 1.00 42.20 H new ATOM 0 HE2 TYR A 103 -7.239 -3.782 1.413 1.00 14.23 H new ATOM 0 HH TYR A 103 -9.439 -4.569 0.746 1.00 25.13 H new ATOM 1605 N ALA A 104 -5.375 2.970 -1.830 1.00 55.32 N ATOM 1606 CA ALA A 104 -4.569 4.156 -2.136 1.00 52.22 C ATOM 1607 C ALA A 104 -5.216 5.430 -1.567 1.00 4.10 C ATOM 1608 O ALA A 104 -4.537 6.297 -1.029 1.00 1.34 O ATOM 1609 CB ALA A 104 -4.364 4.287 -3.644 1.00 62.43 C ATOM 0 H ALA A 104 -5.761 2.502 -2.650 1.00 55.32 H new ATOM 0 HA ALA A 104 -3.596 4.034 -1.660 1.00 52.22 H new ATOM 0 HB1 ALA A 104 -3.764 5.172 -3.854 1.00 62.43 H new ATOM 0 HB2 ALA A 104 -3.850 3.402 -4.019 1.00 62.43 H new ATOM 0 HB3 ALA A 104 -5.332 4.380 -4.136 1.00 62.43 H new ATOM 1615 N ASN A 105 -6.543 5.520 -1.661 1.00 45.22 N ATOM 1616 CA ASN A 105 -7.287 6.686 -1.152 1.00 20.24 C ATOM 1617 C ASN A 105 -7.168 6.838 0.379 1.00 13.41 C ATOM 1618 O ASN A 105 -7.635 7.824 0.950 1.00 23.12 O ATOM 1619 CB ASN A 105 -8.763 6.603 -1.572 1.00 63.42 C ATOM 1620 CG ASN A 105 -8.972 6.989 -3.031 1.00 14.21 C ATOM 1621 OD1 ASN A 105 -9.232 8.143 -3.348 1.00 23.54 O ATOM 1622 ND2 ASN A 105 -8.855 6.036 -3.929 1.00 34.30 N ATOM 0 H ASN A 105 -7.131 4.802 -2.084 1.00 45.22 H new ATOM 0 HA ASN A 105 -6.837 7.574 -1.596 1.00 20.24 H new ATOM 0 HB2 ASN A 105 -9.128 5.588 -1.411 1.00 63.42 H new ATOM 0 HB3 ASN A 105 -9.357 7.260 -0.936 1.00 63.42 H new ATOM 0 HD21 ASN A 105 -8.981 6.249 -4.918 1.00 34.30 H new ATOM 0 HD22 ASN A 105 -8.638 5.083 -3.636 1.00 34.30 H new ATOM 1629 N MET A 106 -6.558 5.852 1.036 1.00 61.23 N ATOM 1630 CA MET A 106 -6.260 5.937 2.472 1.00 42.31 C ATOM 1631 C MET A 106 -4.966 6.717 2.727 1.00 73.21 C ATOM 1632 O MET A 106 -4.779 7.303 3.794 1.00 22.02 O ATOM 1633 CB MET A 106 -6.115 4.533 3.069 1.00 32.34 C ATOM 1634 CG MET A 106 -7.375 3.702 2.972 1.00 3.15 C ATOM 1635 SD MET A 106 -8.697 4.335 4.018 1.00 62.43 S ATOM 1636 CE MET A 106 -8.077 3.902 5.644 1.00 32.42 C ATOM 0 H MET A 106 -6.258 4.981 0.598 1.00 61.23 H new ATOM 0 HA MET A 106 -7.090 6.461 2.947 1.00 42.31 H new ATOM 0 HB2 MET A 106 -5.305 4.012 2.558 1.00 32.34 H new ATOM 0 HB3 MET A 106 -5.827 4.620 4.117 1.00 32.34 H new ATOM 0 HG2 MET A 106 -7.714 3.680 1.936 1.00 3.15 H new ATOM 0 HG3 MET A 106 -7.152 2.674 3.256 1.00 3.15 H new ATOM 0 HE1 MET A 106 -8.895 3.929 6.364 1.00 32.42 H new ATOM 0 HE2 MET A 106 -7.651 2.899 5.616 1.00 32.42 H new ATOM 0 HE3 MET A 106 -7.308 4.615 5.942 1.00 32.42 H new ATOM 1646 N VAL A 107 -4.077 6.725 1.734 1.00 32.14 N ATOM 1647 CA VAL A 107 -2.724 7.265 1.916 1.00 63.25 C ATOM 1648 C VAL A 107 -2.422 8.418 0.951 1.00 24.42 C ATOM 1649 O VAL A 107 -1.475 9.177 1.159 1.00 44.31 O ATOM 1650 CB VAL A 107 -1.656 6.156 1.744 1.00 24.24 C ATOM 1651 CG1 VAL A 107 -1.776 5.117 2.858 1.00 65.44 C ATOM 1652 CG2 VAL A 107 -1.771 5.495 0.368 1.00 42.20 C ATOM 0 H VAL A 107 -4.265 6.366 0.798 1.00 32.14 H new ATOM 0 HA VAL A 107 -2.682 7.655 2.933 1.00 63.25 H new ATOM 0 HB VAL A 107 -0.671 6.618 1.813 1.00 24.24 H new ATOM 0 HG11 VAL A 107 -1.018 4.346 2.720 1.00 65.44 H new ATOM 0 HG12 VAL A 107 -1.630 5.601 3.824 1.00 65.44 H new ATOM 0 HG13 VAL A 107 -2.766 4.662 2.826 1.00 65.44 H new ATOM 0 HG21 VAL A 107 -1.010 4.720 0.272 1.00 42.20 H new ATOM 0 HG22 VAL A 107 -2.760 5.049 0.260 1.00 42.20 H new ATOM 0 HG23 VAL A 107 -1.625 6.245 -0.409 1.00 42.20 H new ATOM 1662 N ILE A 108 -3.223 8.551 -0.099 1.00 20.23 N ATOM 1663 CA ILE A 108 -3.032 9.619 -1.082 1.00 64.33 C ATOM 1664 C ILE A 108 -4.031 10.769 -0.870 1.00 51.31 C ATOM 1665 O ILE A 108 -4.847 10.741 0.052 1.00 33.04 O ATOM 1666 CB ILE A 108 -3.180 9.098 -2.532 1.00 32.32 C ATOM 1667 CG1 ILE A 108 -4.655 8.959 -2.915 1.00 72.32 C ATOM 1668 CG2 ILE A 108 -2.463 7.758 -2.713 1.00 13.40 C ATOM 1669 CD1 ILE A 108 -4.840 8.812 -4.393 1.00 22.32 C ATOM 0 H ILE A 108 -4.012 7.935 -0.295 1.00 20.23 H new ATOM 0 HA ILE A 108 -2.017 9.988 -0.934 1.00 64.33 H new ATOM 0 HB ILE A 108 -2.715 9.830 -3.193 1.00 32.32 H new ATOM 0 HG12 ILE A 108 -5.081 8.093 -2.409 1.00 72.32 H new ATOM 0 HG13 ILE A 108 -5.204 9.834 -2.566 1.00 72.32 H new ATOM 0 HG21 ILE A 108 -2.584 7.417 -3.741 1.00 13.40 H new ATOM 0 HG22 ILE A 108 -1.402 7.880 -2.494 1.00 13.40 H new ATOM 0 HG23 ILE A 108 -2.891 7.021 -2.033 1.00 13.40 H new ATOM 0 HD11 ILE A 108 -5.902 8.716 -4.619 1.00 22.32 H new ATOM 0 HD12 ILE A 108 -4.439 9.690 -4.899 1.00 22.32 H new ATOM 0 HD13 ILE A 108 -4.314 7.922 -4.739 1.00 22.32 H new ATOM 1681 N ASP A 109 -3.962 11.779 -1.735 1.00 21.34 N ATOM 1682 CA ASP A 109 -4.938 12.871 -1.729 1.00 51.20 C ATOM 1683 C ASP A 109 -6.086 12.578 -2.721 1.00 53.10 C ATOM 1684 O ASP A 109 -5.869 12.522 -3.936 1.00 33.14 O ATOM 1685 CB ASP A 109 -4.246 14.193 -2.084 1.00 65.21 C ATOM 1686 CG ASP A 109 -5.180 15.387 -1.972 1.00 75.03 C ATOM 1687 OD1 ASP A 109 -5.939 15.649 -2.926 1.00 4.21 O ATOM 1688 OD2 ASP A 109 -5.165 16.068 -0.929 1.00 35.33 O ATOM 0 H ASP A 109 -3.240 11.865 -2.450 1.00 21.34 H new ATOM 0 HA ASP A 109 -5.365 12.954 -0.729 1.00 51.20 H new ATOM 0 HB2 ASP A 109 -3.392 14.341 -1.424 1.00 65.21 H new ATOM 0 HB3 ASP A 109 -3.857 14.134 -3.100 1.00 65.21 H new ATOM 1862 N GLY A 122 3.668 11.251 -7.071 1.00 21.15 N ATOM 1863 CA GLY A 122 2.906 10.499 -6.077 1.00 62.44 C ATOM 1864 C GLY A 122 2.842 11.189 -4.717 1.00 62.24 C ATOM 1865 O GLY A 122 3.462 12.233 -4.507 1.00 63.24 O ATOM 0 HA2 GLY A 122 1.892 10.345 -6.447 1.00 62.44 H new ATOM 0 HA3 GLY A 122 3.354 9.513 -5.956 1.00 62.44 H new ATOM 1869 N VAL A 123 2.077 10.617 -3.793 1.00 35.44 N ATOM 1870 CA VAL A 123 1.994 11.147 -2.420 1.00 41.22 C ATOM 1871 C VAL A 123 2.999 10.451 -1.484 1.00 64.35 C ATOM 1872 O VAL A 123 2.950 9.239 -1.303 1.00 24.03 O ATOM 1873 CB VAL A 123 0.568 10.987 -1.840 1.00 51.20 C ATOM 1874 CG1 VAL A 123 0.510 11.457 -0.386 1.00 74.34 C ATOM 1875 CG2 VAL A 123 -0.446 11.741 -2.699 1.00 64.53 C ATOM 0 H VAL A 123 1.505 9.790 -3.960 1.00 35.44 H new ATOM 0 HA VAL A 123 2.240 12.207 -2.479 1.00 41.22 H new ATOM 0 HB VAL A 123 0.311 9.928 -1.856 1.00 51.20 H new ATOM 0 HG11 VAL A 123 -0.503 11.333 -0.004 1.00 74.34 H new ATOM 0 HG12 VAL A 123 1.200 10.865 0.216 1.00 74.34 H new ATOM 0 HG13 VAL A 123 0.792 12.508 -0.332 1.00 74.34 H new ATOM 0 HG21 VAL A 123 -1.443 11.618 -2.277 1.00 64.53 H new ATOM 0 HG22 VAL A 123 -0.189 12.800 -2.720 1.00 64.53 H new ATOM 0 HG23 VAL A 123 -0.430 11.344 -3.714 1.00 64.53 H new ATOM 1885 N LYS A 124 3.899 11.225 -0.881 1.00 23.22 N ATOM 1886 CA LYS A 124 4.931 10.663 0.009 1.00 72.35 C ATOM 1887 C LYS A 124 4.349 10.035 1.286 1.00 61.04 C ATOM 1888 O LYS A 124 3.270 10.403 1.756 1.00 4.55 O ATOM 1889 CB LYS A 124 5.966 11.724 0.406 1.00 22.23 C ATOM 1890 CG LYS A 124 6.984 12.053 -0.682 1.00 63.10 C ATOM 1891 CD LYS A 124 8.192 12.792 -0.109 1.00 65.54 C ATOM 1892 CE LYS A 124 8.931 11.941 0.923 1.00 51.02 C ATOM 1893 NZ LYS A 124 10.052 12.676 1.566 1.00 43.54 N ATOM 0 H LYS A 124 3.941 12.239 -0.987 1.00 23.22 H new ATOM 0 HA LYS A 124 5.412 9.873 -0.568 1.00 72.35 H new ATOM 0 HB2 LYS A 124 5.442 12.638 0.684 1.00 22.23 H new ATOM 0 HB3 LYS A 124 6.499 11.380 1.292 1.00 22.23 H new ATOM 0 HG2 LYS A 124 7.314 11.133 -1.164 1.00 63.10 H new ATOM 0 HG3 LYS A 124 6.512 12.665 -1.451 1.00 63.10 H new ATOM 0 HD2 LYS A 124 8.873 13.059 -0.917 1.00 65.54 H new ATOM 0 HD3 LYS A 124 7.865 13.723 0.353 1.00 65.54 H new ATOM 0 HE2 LYS A 124 8.229 11.613 1.689 1.00 51.02 H new ATOM 0 HE3 LYS A 124 9.318 11.044 0.440 1.00 51.02 H new ATOM 0 HZ1 LYS A 124 10.424 12.117 2.360 1.00 43.54 H new ATOM 0 HZ2 LYS A 124 10.808 12.834 0.870 1.00 43.54 H new ATOM 0 HZ3 LYS A 124 9.709 13.592 1.919 1.00 43.54 H new ATOM 1907 N GLY A 125 5.115 9.106 1.855 1.00 4.34 N ATOM 1908 CA GLY A 125 4.712 8.397 3.062 1.00 4.40 C ATOM 1909 C GLY A 125 5.770 7.403 3.535 1.00 51.23 C ATOM 1910 O GLY A 125 6.962 7.594 3.295 1.00 31.35 O ATOM 0 H GLY A 125 6.027 8.827 1.493 1.00 4.34 H new ATOM 0 HA2 GLY A 125 4.515 9.118 3.855 1.00 4.40 H new ATOM 0 HA3 GLY A 125 3.778 7.867 2.874 1.00 4.40 H new ATOM 1914 N THR A 126 5.339 6.337 4.204 1.00 73.13 N ATOM 1915 CA THR A 126 6.258 5.312 4.731 1.00 55.30 C ATOM 1916 C THR A 126 5.678 3.901 4.573 1.00 2.11 C ATOM 1917 O THR A 126 4.464 3.714 4.649 1.00 31.42 O ATOM 1918 CB THR A 126 6.574 5.544 6.229 1.00 51.01 C ATOM 1919 OG1 THR A 126 5.356 5.611 6.986 1.00 20.41 O ATOM 1920 CG2 THR A 126 7.378 6.822 6.442 1.00 61.41 C ATOM 0 H THR A 126 4.355 6.153 4.399 1.00 73.13 H new ATOM 0 HA THR A 126 7.175 5.398 4.148 1.00 55.30 H new ATOM 0 HB THR A 126 7.175 4.702 6.573 1.00 51.01 H new ATOM 0 HG1 THR A 126 4.644 5.989 6.428 1.00 20.41 H new ATOM 0 HG21 THR A 126 7.581 6.951 7.505 1.00 61.41 H new ATOM 0 HG22 THR A 126 8.320 6.754 5.899 1.00 61.41 H new ATOM 0 HG23 THR A 126 6.808 7.676 6.075 1.00 61.41 H new ATOM 1928 N VAL A 127 6.547 2.908 4.368 1.00 42.51 N ATOM 1929 CA VAL A 127 6.110 1.515 4.196 1.00 44.42 C ATOM 1930 C VAL A 127 6.809 0.566 5.190 1.00 65.22 C ATOM 1931 O VAL A 127 7.981 0.749 5.536 1.00 71.25 O ATOM 1932 CB VAL A 127 6.366 1.025 2.744 1.00 74.43 C ATOM 1933 CG1 VAL A 127 7.863 0.985 2.434 1.00 33.44 C ATOM 1934 CG2 VAL A 127 5.719 -0.340 2.498 1.00 41.10 C ATOM 0 H VAL A 127 7.557 3.040 4.317 1.00 42.51 H new ATOM 0 HA VAL A 127 5.039 1.495 4.398 1.00 44.42 H new ATOM 0 HB VAL A 127 5.901 1.741 2.066 1.00 74.43 H new ATOM 0 HG11 VAL A 127 8.014 0.639 1.412 1.00 33.44 H new ATOM 0 HG12 VAL A 127 8.284 1.984 2.544 1.00 33.44 H new ATOM 0 HG13 VAL A 127 8.360 0.304 3.125 1.00 33.44 H new ATOM 0 HG21 VAL A 127 5.915 -0.656 1.474 1.00 41.10 H new ATOM 0 HG22 VAL A 127 6.137 -1.071 3.190 1.00 41.10 H new ATOM 0 HG23 VAL A 127 4.643 -0.266 2.655 1.00 41.10 H new ATOM 1944 N GLU A 128 6.069 -0.443 5.646 1.00 55.44 N ATOM 1945 CA GLU A 128 6.592 -1.473 6.558 1.00 34.23 C ATOM 1946 C GLU A 128 5.801 -2.786 6.402 1.00 31.05 C ATOM 1947 O GLU A 128 4.764 -2.808 5.745 1.00 24.53 O ATOM 1948 CB GLU A 128 6.498 -0.984 8.011 1.00 4.53 C ATOM 1949 CG GLU A 128 5.099 -0.508 8.394 1.00 33.41 C ATOM 1950 CD GLU A 128 4.957 -0.184 9.872 1.00 12.13 C ATOM 1951 OE1 GLU A 128 5.341 0.932 10.290 1.00 23.53 O ATOM 1952 OE2 GLU A 128 4.431 -1.029 10.620 1.00 41.11 O ATOM 0 H GLU A 128 5.089 -0.575 5.397 1.00 55.44 H new ATOM 0 HA GLU A 128 7.636 -1.659 6.305 1.00 34.23 H new ATOM 0 HB2 GLU A 128 6.796 -1.792 8.680 1.00 4.53 H new ATOM 0 HB3 GLU A 128 7.206 -0.169 8.160 1.00 4.53 H new ATOM 0 HG2 GLU A 128 4.852 0.378 7.810 1.00 33.41 H new ATOM 0 HG3 GLU A 128 4.375 -1.278 8.127 1.00 33.41 H new ATOM 1959 N LYS A 129 6.290 -3.879 6.988 1.00 25.14 N ATOM 1960 CA LYS A 129 5.533 -5.141 6.992 1.00 54.03 C ATOM 1961 C LYS A 129 4.808 -5.351 8.329 1.00 62.42 C ATOM 1962 O LYS A 129 5.361 -5.099 9.399 1.00 74.41 O ATOM 1963 CB LYS A 129 6.440 -6.347 6.694 1.00 42.33 C ATOM 1964 CG LYS A 129 5.708 -7.693 6.802 1.00 23.30 C ATOM 1965 CD LYS A 129 6.499 -8.856 6.205 1.00 32.34 C ATOM 1966 CE LYS A 129 7.880 -9.006 6.831 1.00 22.11 C ATOM 1967 NZ LYS A 129 8.599 -10.201 6.310 1.00 44.11 N ATOM 0 H LYS A 129 7.193 -3.922 7.461 1.00 25.14 H new ATOM 0 HA LYS A 129 4.789 -5.067 6.198 1.00 54.03 H new ATOM 0 HB2 LYS A 129 6.853 -6.244 5.690 1.00 42.33 H new ATOM 0 HB3 LYS A 129 7.281 -6.341 7.387 1.00 42.33 H new ATOM 0 HG2 LYS A 129 5.500 -7.903 7.851 1.00 23.30 H new ATOM 0 HG3 LYS A 129 4.746 -7.618 6.295 1.00 23.30 H new ATOM 0 HD2 LYS A 129 5.939 -9.781 6.343 1.00 32.34 H new ATOM 0 HD3 LYS A 129 6.605 -8.705 5.131 1.00 32.34 H new ATOM 0 HE2 LYS A 129 8.469 -8.111 6.629 1.00 22.11 H new ATOM 0 HE3 LYS A 129 7.781 -9.085 7.914 1.00 22.11 H new ATOM 0 HZ1 LYS A 129 8.847 -10.829 7.101 1.00 44.11 H new ATOM 0 HZ2 LYS A 129 7.986 -10.711 5.642 1.00 44.11 H new ATOM 0 HZ3 LYS A 129 9.467 -9.899 5.823 1.00 44.11 H new ATOM 1981 N THR A 130 3.573 -5.840 8.259 1.00 2.20 N ATOM 1982 CA THR A 130 2.755 -6.052 9.462 1.00 11.33 C ATOM 1983 C THR A 130 2.114 -7.442 9.481 1.00 24.23 C ATOM 1984 O THR A 130 2.009 -8.114 8.451 1.00 52.53 O ATOM 1985 CB THR A 130 1.635 -4.991 9.600 1.00 31.03 C ATOM 1986 OG1 THR A 130 0.853 -5.250 10.781 1.00 34.31 O ATOM 1987 CG2 THR A 130 0.723 -4.990 8.375 1.00 12.12 C ATOM 0 H THR A 130 3.112 -6.098 7.386 1.00 2.20 H new ATOM 0 HA THR A 130 3.442 -5.959 10.303 1.00 11.33 H new ATOM 0 HB THR A 130 2.108 -4.012 9.680 1.00 31.03 H new ATOM 0 HG1 THR A 130 0.224 -4.513 10.925 1.00 34.31 H new ATOM 0 HG21 THR A 130 -0.054 -4.235 8.500 1.00 12.12 H new ATOM 0 HG22 THR A 130 1.310 -4.763 7.485 1.00 12.12 H new ATOM 0 HG23 THR A 130 0.261 -5.971 8.264 1.00 12.12 H new ATOM 1995 N ASP A 131 1.692 -7.867 10.664 1.00 45.05 N ATOM 1996 CA ASP A 131 1.004 -9.145 10.836 1.00 71.31 C ATOM 1997 C ASP A 131 -0.518 -8.977 10.689 1.00 23.34 C ATOM 1998 O ASP A 131 -1.271 -9.953 10.751 1.00 32.22 O ATOM 1999 CB ASP A 131 1.362 -9.733 12.200 1.00 75.41 C ATOM 2000 CG ASP A 131 2.851 -10.009 12.315 1.00 54.24 C ATOM 2001 OD1 ASP A 131 3.285 -11.115 11.926 1.00 5.23 O ATOM 2002 OD2 ASP A 131 3.597 -9.115 12.776 1.00 25.14 O ATOM 0 H ASP A 131 1.815 -7.341 11.529 1.00 45.05 H new ATOM 0 HA ASP A 131 1.331 -9.833 10.056 1.00 71.31 H new ATOM 0 HB2 ASP A 131 1.057 -9.042 12.986 1.00 75.41 H new ATOM 0 HB3 ASP A 131 0.807 -10.658 12.356 1.00 75.41 H new ATOM 2007 N GLU A 132 -0.953 -7.729 10.497 1.00 21.44 N ATOM 2008 CA GLU A 132 -2.365 -7.416 10.242 1.00 64.52 C ATOM 2009 C GLU A 132 -2.811 -7.930 8.871 1.00 64.43 C ATOM 2010 O GLU A 132 -2.003 -8.052 7.949 1.00 11.33 O ATOM 2011 CB GLU A 132 -2.593 -5.901 10.291 1.00 40.32 C ATOM 2012 CG GLU A 132 -2.311 -5.267 11.644 1.00 50.44 C ATOM 2013 CD GLU A 132 -2.272 -3.750 11.571 1.00 22.42 C ATOM 2014 OE1 GLU A 132 -3.348 -3.118 11.491 1.00 63.52 O ATOM 2015 OE2 GLU A 132 -1.163 -3.184 11.569 1.00 21.22 O ATOM 0 H GLU A 132 -0.343 -6.911 10.513 1.00 21.44 H new ATOM 0 HA GLU A 132 -2.951 -7.910 11.017 1.00 64.52 H new ATOM 0 HB2 GLU A 132 -1.960 -5.426 9.542 1.00 40.32 H new ATOM 0 HB3 GLU A 132 -3.626 -5.692 10.014 1.00 40.32 H new ATOM 0 HG2 GLU A 132 -3.078 -5.575 12.354 1.00 50.44 H new ATOM 0 HG3 GLU A 132 -1.358 -5.635 12.024 1.00 50.44 H new ATOM 2022 N LYS A 133 -4.100 -8.212 8.733 1.00 72.12 N ATOM 2023 CA LYS A 133 -4.652 -8.648 7.451 1.00 4.13 C ATOM 2024 C LYS A 133 -5.065 -7.446 6.586 1.00 2.15 C ATOM 2025 O LYS A 133 -5.322 -6.354 7.096 1.00 1.51 O ATOM 2026 CB LYS A 133 -5.831 -9.618 7.674 1.00 4.20 C ATOM 2027 CG LYS A 133 -7.042 -9.018 8.397 1.00 44.02 C ATOM 2028 CD LYS A 133 -8.061 -8.408 7.430 1.00 32.41 C ATOM 2029 CE LYS A 133 -9.306 -7.899 8.149 1.00 13.24 C ATOM 2030 NZ LYS A 133 -9.023 -6.705 8.987 1.00 61.41 N ATOM 0 H LYS A 133 -4.783 -8.148 9.488 1.00 72.12 H new ATOM 0 HA LYS A 133 -3.874 -9.184 6.907 1.00 4.13 H new ATOM 0 HB2 LYS A 133 -6.157 -9.997 6.705 1.00 4.20 H new ATOM 0 HB3 LYS A 133 -5.473 -10.474 8.247 1.00 4.20 H new ATOM 0 HG2 LYS A 133 -7.528 -9.793 8.990 1.00 44.02 H new ATOM 0 HG3 LYS A 133 -6.702 -8.251 9.093 1.00 44.02 H new ATOM 0 HD2 LYS A 133 -7.596 -7.586 6.886 1.00 32.41 H new ATOM 0 HD3 LYS A 133 -8.350 -9.155 6.691 1.00 32.41 H new ATOM 0 HE2 LYS A 133 -10.072 -7.651 7.414 1.00 13.24 H new ATOM 0 HE3 LYS A 133 -9.711 -8.693 8.776 1.00 13.24 H new ATOM 0 HZ1 LYS A 133 -9.918 -6.245 9.249 1.00 61.41 H new ATOM 0 HZ2 LYS A 133 -8.518 -6.997 9.848 1.00 61.41 H new ATOM 0 HZ3 LYS A 133 -8.434 -6.036 8.451 1.00 61.41 H new ATOM 2044 N VAL A 134 -5.123 -7.661 5.274 1.00 71.12 N ATOM 2045 CA VAL A 134 -5.451 -6.598 4.315 1.00 52.50 C ATOM 2046 C VAL A 134 -6.847 -6.003 4.575 1.00 25.40 C ATOM 2047 O VAL A 134 -7.827 -6.737 4.723 1.00 70.15 O ATOM 2048 CB VAL A 134 -5.371 -7.134 2.860 1.00 32.55 C ATOM 2049 CG1 VAL A 134 -5.784 -6.066 1.846 1.00 62.34 C ATOM 2050 CG2 VAL A 134 -3.961 -7.647 2.564 1.00 71.42 C ATOM 0 H VAL A 134 -4.946 -8.569 4.843 1.00 71.12 H new ATOM 0 HA VAL A 134 -4.716 -5.804 4.449 1.00 52.50 H new ATOM 0 HB VAL A 134 -6.073 -7.962 2.766 1.00 32.55 H new ATOM 0 HG11 VAL A 134 -5.716 -6.476 0.838 1.00 62.34 H new ATOM 0 HG12 VAL A 134 -6.810 -5.755 2.043 1.00 62.34 H new ATOM 0 HG13 VAL A 134 -5.121 -5.205 1.933 1.00 62.34 H new ATOM 0 HG21 VAL A 134 -3.917 -8.020 1.541 1.00 71.42 H new ATOM 0 HG22 VAL A 134 -3.245 -6.834 2.685 1.00 71.42 H new ATOM 0 HG23 VAL A 134 -3.714 -8.453 3.255 1.00 71.42 H new ATOM 2060 N LEU A 135 -6.924 -4.673 4.630 1.00 62.42 N ATOM 2061 CA LEU A 135 -8.192 -3.974 4.878 1.00 15.33 C ATOM 2062 C LEU A 135 -9.215 -4.267 3.769 1.00 31.54 C ATOM 2063 O LEU A 135 -9.146 -3.678 2.696 1.00 23.35 O ATOM 2064 CB LEU A 135 -7.956 -2.450 4.984 1.00 33.31 C ATOM 2065 CG LEU A 135 -8.183 -1.833 6.376 1.00 3.02 C ATOM 2066 CD1 LEU A 135 -8.060 -0.314 6.324 1.00 31.22 C ATOM 2067 CD2 LEU A 135 -9.547 -2.234 6.924 1.00 12.33 C ATOM 0 H LEU A 135 -6.123 -4.054 4.506 1.00 62.42 H new ATOM 0 HA LEU A 135 -8.594 -4.341 5.822 1.00 15.33 H new ATOM 0 HB2 LEU A 135 -6.932 -2.237 4.676 1.00 33.31 H new ATOM 0 HB3 LEU A 135 -8.614 -1.949 4.274 1.00 33.31 H new ATOM 0 HG LEU A 135 -7.412 -2.217 7.045 1.00 3.02 H new ATOM 0 HD11 LEU A 135 -8.224 0.099 7.319 1.00 31.22 H new ATOM 0 HD12 LEU A 135 -7.063 -0.041 5.978 1.00 31.22 H new ATOM 0 HD13 LEU A 135 -8.805 0.088 5.637 1.00 31.22 H new ATOM 0 HD21 LEU A 135 -9.689 -1.788 7.909 1.00 12.33 H new ATOM 0 HD22 LEU A 135 -10.328 -1.882 6.250 1.00 12.33 H new ATOM 0 HD23 LEU A 135 -9.601 -3.320 7.006 1.00 12.33 H new ATOM 2079 N SER A 136 -10.163 -5.169 4.035 1.00 12.54 N ATOM 2080 CA SER A 136 -11.184 -5.537 3.037 1.00 65.11 C ATOM 2081 C SER A 136 -11.883 -4.286 2.486 1.00 54.44 C ATOM 2082 O SER A 136 -12.136 -3.345 3.230 1.00 53.41 O ATOM 2083 CB SER A 136 -12.225 -6.488 3.650 1.00 51.42 C ATOM 2084 OG SER A 136 -11.624 -7.684 4.136 1.00 12.32 O ATOM 0 H SER A 136 -10.249 -5.658 4.926 1.00 12.54 H new ATOM 0 HA SER A 136 -10.680 -6.048 2.216 1.00 65.11 H new ATOM 0 HB2 SER A 136 -12.743 -5.984 4.466 1.00 51.42 H new ATOM 0 HB3 SER A 136 -12.976 -6.737 2.901 1.00 51.42 H new ATOM 0 HG SER A 136 -12.314 -8.264 4.520 1.00 12.32 H new ATOM 2090 N VAL A 137 -12.212 -4.294 1.192 1.00 10.44 N ATOM 2091 CA VAL A 137 -12.743 -3.100 0.506 1.00 33.12 C ATOM 2092 C VAL A 137 -13.845 -2.382 1.311 1.00 61.10 C ATOM 2093 O VAL A 137 -13.759 -1.176 1.548 1.00 22.41 O ATOM 2094 CB VAL A 137 -13.290 -3.462 -0.900 1.00 71.12 C ATOM 2095 CG1 VAL A 137 -13.852 -2.226 -1.606 1.00 73.42 C ATOM 2096 CG2 VAL A 137 -12.202 -4.121 -1.748 1.00 34.32 C ATOM 0 H VAL A 137 -12.122 -5.114 0.592 1.00 10.44 H new ATOM 0 HA VAL A 137 -11.901 -2.414 0.410 1.00 33.12 H new ATOM 0 HB VAL A 137 -14.105 -4.175 -0.772 1.00 71.12 H new ATOM 0 HG11 VAL A 137 -14.229 -2.508 -2.589 1.00 73.42 H new ATOM 0 HG12 VAL A 137 -14.665 -1.806 -1.013 1.00 73.42 H new ATOM 0 HG13 VAL A 137 -13.064 -1.482 -1.719 1.00 73.42 H new ATOM 0 HG21 VAL A 137 -12.605 -4.367 -2.730 1.00 34.32 H new ATOM 0 HG22 VAL A 137 -11.363 -3.434 -1.862 1.00 34.32 H new ATOM 0 HG23 VAL A 137 -11.860 -5.032 -1.257 1.00 34.32 H new ATOM 2106 N LYS A 138 -14.874 -3.113 1.730 1.00 10.44 N ATOM 2107 CA LYS A 138 -15.963 -2.518 2.514 1.00 52.21 C ATOM 2108 C LYS A 138 -15.518 -2.178 3.952 1.00 74.30 C ATOM 2109 O LYS A 138 -15.890 -1.136 4.491 1.00 34.03 O ATOM 2110 CB LYS A 138 -17.174 -3.452 2.533 1.00 72.04 C ATOM 2111 CG LYS A 138 -18.386 -2.883 3.267 1.00 73.10 C ATOM 2112 CD LYS A 138 -19.578 -3.827 3.172 1.00 0.54 C ATOM 2113 CE LYS A 138 -19.261 -5.195 3.763 1.00 72.31 C ATOM 2114 NZ LYS A 138 -20.359 -6.169 3.533 1.00 52.34 N ATOM 0 H LYS A 138 -14.981 -4.110 1.544 1.00 10.44 H new ATOM 0 HA LYS A 138 -16.244 -1.582 2.031 1.00 52.21 H new ATOM 0 HB2 LYS A 138 -17.459 -3.682 1.506 1.00 72.04 H new ATOM 0 HB3 LYS A 138 -16.887 -4.393 3.002 1.00 72.04 H new ATOM 0 HG2 LYS A 138 -18.135 -2.714 4.314 1.00 73.10 H new ATOM 0 HG3 LYS A 138 -18.650 -1.915 2.842 1.00 73.10 H new ATOM 0 HD2 LYS A 138 -20.429 -3.392 3.696 1.00 0.54 H new ATOM 0 HD3 LYS A 138 -19.870 -3.940 2.128 1.00 0.54 H new ATOM 0 HE2 LYS A 138 -18.340 -5.576 3.322 1.00 72.31 H new ATOM 0 HE3 LYS A 138 -19.084 -5.095 4.834 1.00 72.31 H new ATOM 0 HZ1 LYS A 138 -20.103 -7.086 3.951 1.00 52.34 H new ATOM 0 HZ2 LYS A 138 -21.232 -5.819 3.976 1.00 52.34 H new ATOM 0 HZ3 LYS A 138 -20.512 -6.285 2.511 1.00 52.34 H new ATOM 2128 N GLU A 139 -14.724 -3.055 4.565 1.00 61.33 N ATOM 2129 CA GLU A 139 -14.163 -2.802 5.901 1.00 64.21 C ATOM 2130 C GLU A 139 -13.374 -1.481 5.914 1.00 71.13 C ATOM 2131 O GLU A 139 -13.380 -0.734 6.895 1.00 20.34 O ATOM 2132 CB GLU A 139 -13.256 -3.975 6.300 1.00 25.01 C ATOM 2133 CG GLU A 139 -12.464 -3.762 7.587 1.00 63.35 C ATOM 2134 CD GLU A 139 -11.550 -4.937 7.905 1.00 52.11 C ATOM 2135 OE1 GLU A 139 -10.846 -5.414 6.989 1.00 21.21 O ATOM 2136 OE2 GLU A 139 -11.520 -5.387 9.069 1.00 10.10 O ATOM 0 H GLU A 139 -14.451 -3.951 4.160 1.00 61.33 H new ATOM 0 HA GLU A 139 -14.976 -2.715 6.622 1.00 64.21 H new ATOM 0 HB2 GLU A 139 -13.870 -4.869 6.411 1.00 25.01 H new ATOM 0 HB3 GLU A 139 -12.556 -4.168 5.487 1.00 25.01 H new ATOM 0 HG2 GLU A 139 -11.867 -2.854 7.497 1.00 63.35 H new ATOM 0 HG3 GLU A 139 -13.156 -3.608 8.415 1.00 63.35 H new ATOM 2143 N LEU A 140 -12.704 -1.214 4.801 1.00 44.42 N ATOM 2144 CA LEU A 140 -11.988 0.029 4.577 1.00 33.52 C ATOM 2145 C LEU A 140 -12.959 1.223 4.605 1.00 4.33 C ATOM 2146 O LEU A 140 -12.659 2.271 5.186 1.00 25.21 O ATOM 2147 CB LEU A 140 -11.264 -0.089 3.229 1.00 3.43 C ATOM 2148 CG LEU A 140 -10.040 0.810 3.054 1.00 4.34 C ATOM 2149 CD1 LEU A 140 -9.067 0.208 2.044 1.00 30.12 C ATOM 2150 CD2 LEU A 140 -10.455 2.209 2.623 1.00 63.34 C ATOM 0 H LEU A 140 -12.643 -1.866 4.019 1.00 44.42 H new ATOM 0 HA LEU A 140 -11.258 0.205 5.367 1.00 33.52 H new ATOM 0 HB2 LEU A 140 -10.954 -1.125 3.093 1.00 3.43 H new ATOM 0 HB3 LEU A 140 -11.975 0.137 2.434 1.00 3.43 H new ATOM 0 HG LEU A 140 -9.535 0.883 4.017 1.00 4.34 H new ATOM 0 HD11 LEU A 140 -8.203 0.864 1.935 1.00 30.12 H new ATOM 0 HD12 LEU A 140 -8.738 -0.770 2.395 1.00 30.12 H new ATOM 0 HD13 LEU A 140 -9.564 0.099 1.080 1.00 30.12 H new ATOM 0 HD21 LEU A 140 -9.568 2.831 2.505 1.00 63.34 H new ATOM 0 HD22 LEU A 140 -10.989 2.154 1.674 1.00 63.34 H new ATOM 0 HD23 LEU A 140 -11.106 2.645 3.381 1.00 63.34 H new ATOM 2162 N LEU A 141 -14.136 1.048 3.999 1.00 75.24 N ATOM 2163 CA LEU A 141 -15.195 2.065 4.050 1.00 23.01 C ATOM 2164 C LEU A 141 -15.635 2.300 5.505 1.00 31.34 C ATOM 2165 O LEU A 141 -15.806 3.440 5.947 1.00 51.33 O ATOM 2166 CB LEU A 141 -16.414 1.630 3.216 1.00 73.22 C ATOM 2167 CG LEU A 141 -16.111 1.119 1.799 1.00 21.00 C ATOM 2168 CD1 LEU A 141 -17.403 0.719 1.088 1.00 14.42 C ATOM 2169 CD2 LEU A 141 -15.340 2.161 0.989 1.00 2.40 C ATOM 0 H LEU A 141 -14.382 0.213 3.467 1.00 75.24 H new ATOM 0 HA LEU A 141 -14.794 2.989 3.634 1.00 23.01 H new ATOM 0 HB2 LEU A 141 -16.940 0.845 3.759 1.00 73.22 H new ATOM 0 HB3 LEU A 141 -17.097 2.476 3.138 1.00 73.22 H new ATOM 0 HG LEU A 141 -15.479 0.235 1.885 1.00 21.00 H new ATOM 0 HD11 LEU A 141 -17.170 0.359 0.086 1.00 14.42 H new ATOM 0 HD12 LEU A 141 -17.898 -0.072 1.651 1.00 14.42 H new ATOM 0 HD13 LEU A 141 -18.063 1.584 1.019 1.00 14.42 H new ATOM 0 HD21 LEU A 141 -15.140 1.771 -0.009 1.00 2.40 H new ATOM 0 HD22 LEU A 141 -15.933 3.072 0.910 1.00 2.40 H new ATOM 0 HD23 LEU A 141 -14.396 2.384 1.487 1.00 2.40 H new