USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 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= -2.84 F(o=-3.6!,f=-1.4) USER MOD Set 1.2: A 103 TYR OH : rot -151:sc= 1.48 USER MOD Set 2.1: A 30 SER OG : rot -63:sc= -0.769 USER MOD Set 2.2: A 100 MET CE :methyl -133:sc= -2 (180deg=-3.95!) USER MOD Set 3.1: A 23 MET CE :methyl 166:sc= -0.199 (180deg=-0.622) USER MOD Set 3.2: A 126 THR OG1 : rot -139:sc= -0.146 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.16 K(o=1.2,f=-2.4!) USER MOD Single : A 63 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.35) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.13) USER MOD Single : A 76 LYS NZ :NH3+ -106:sc= 1.02 (180deg=-0.708) USER MOD Single : A 77 THR OG1 : rot -175:sc= 1.45 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 0.488 (180deg=0.0847) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 95 MET CE :methyl -109:sc= -1.04 (180deg=-6.53!) USER MOD Single : A 105 ASN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 106 MET CE :methyl -164:sc= 0 (180deg=-0.596) USER MOD Single : A 124 LYS NZ :NH3+ -138:sc= 1.22 (180deg=0.556) USER MOD Single : A 129 LYS NZ :NH3+ 152:sc= 2.43 (180deg=-0.0818) USER MOD Single : A 130 THR OG1 : rot 160:sc= 0.0935 USER MOD Single : A 133 LYS NZ :NH3+ -170:sc= 0.897 (180deg=0.457) 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 10.194 1.377 9.698 1.00 43.40 N ATOM 342 CA MET A 23 9.516 1.626 8.419 1.00 64.34 C ATOM 343 C MET A 23 10.456 2.326 7.430 1.00 22.45 C ATOM 344 O MET A 23 11.397 3.011 7.830 1.00 11.32 O ATOM 345 CB MET A 23 8.266 2.485 8.628 1.00 74.55 C ATOM 346 CG MET A 23 8.528 3.763 9.417 1.00 72.44 C ATOM 347 SD MET A 23 7.124 4.896 9.413 1.00 52.14 S ATOM 348 CE MET A 23 5.766 3.770 9.716 1.00 55.13 C ATOM 0 HA MET A 23 9.222 0.661 8.007 1.00 64.34 H new ATOM 0 HB2 MET A 23 7.849 2.747 7.656 1.00 74.55 H new ATOM 0 HB3 MET A 23 7.513 1.894 9.149 1.00 74.55 H new ATOM 0 HG2 MET A 23 8.775 3.503 10.446 1.00 72.44 H new ATOM 0 HG3 MET A 23 9.398 4.270 8.999 1.00 72.44 H new ATOM 0 HE1 MET A 23 4.876 4.338 9.987 1.00 55.13 H new ATOM 0 HE2 MET A 23 5.566 3.190 8.815 1.00 55.13 H new ATOM 0 HE3 MET A 23 6.028 3.095 10.531 1.00 55.13 H new ATOM 358 N LEU A 24 10.194 2.154 6.142 1.00 74.25 N ATOM 359 CA LEU A 24 10.988 2.801 5.092 1.00 63.52 C ATOM 360 C LEU A 24 10.240 3.976 4.461 1.00 63.21 C ATOM 361 O LEU A 24 9.094 3.841 4.029 1.00 23.00 O ATOM 362 CB LEU A 24 11.392 1.783 4.014 1.00 52.10 C ATOM 363 CG LEU A 24 12.742 1.093 4.257 1.00 3.10 C ATOM 364 CD1 LEU A 24 12.898 -0.132 3.365 1.00 42.32 C ATOM 365 CD2 LEU A 24 13.892 2.073 4.021 1.00 45.41 C ATOM 0 H LEU A 24 9.435 1.570 5.792 1.00 74.25 H new ATOM 0 HA LEU A 24 11.890 3.195 5.560 1.00 63.52 H new ATOM 0 HB2 LEU A 24 10.617 1.020 3.945 1.00 52.10 H new ATOM 0 HB3 LEU A 24 11.427 2.290 3.050 1.00 52.10 H new ATOM 0 HG LEU A 24 12.771 0.762 5.295 1.00 3.10 H new ATOM 0 HD11 LEU A 24 13.863 -0.602 3.557 1.00 42.32 H new ATOM 0 HD12 LEU A 24 12.099 -0.842 3.579 1.00 42.32 H new ATOM 0 HD13 LEU A 24 12.844 0.170 2.319 1.00 42.32 H new ATOM 0 HD21 LEU A 24 14.842 1.568 4.197 1.00 45.41 H new ATOM 0 HD22 LEU A 24 13.858 2.433 2.993 1.00 45.41 H new ATOM 0 HD23 LEU A 24 13.797 2.917 4.704 1.00 45.41 H new ATOM 377 N GLU A 25 10.895 5.132 4.427 1.00 71.33 N ATOM 378 CA GLU A 25 10.325 6.330 3.811 1.00 3.24 C ATOM 379 C GLU A 25 10.275 6.218 2.290 1.00 21.31 C ATOM 380 O GLU A 25 11.302 6.216 1.605 1.00 61.32 O ATOM 381 CB GLU A 25 11.110 7.571 4.229 1.00 45.01 C ATOM 382 CG GLU A 25 10.698 8.094 5.589 1.00 52.13 C ATOM 383 CD GLU A 25 11.695 9.090 6.161 1.00 2.13 C ATOM 384 OE1 GLU A 25 11.779 10.218 5.633 1.00 44.32 O ATOM 385 OE2 GLU A 25 12.405 8.743 7.130 1.00 4.11 O ATOM 0 H GLU A 25 11.826 5.267 4.821 1.00 71.33 H new ATOM 0 HA GLU A 25 9.299 6.424 4.167 1.00 3.24 H new ATOM 0 HB2 GLU A 25 12.174 7.335 4.242 1.00 45.01 H new ATOM 0 HB3 GLU A 25 10.966 8.354 3.485 1.00 45.01 H new ATOM 0 HG2 GLU A 25 9.720 8.569 5.510 1.00 52.13 H new ATOM 0 HG3 GLU A 25 10.591 7.257 6.279 1.00 52.13 H new ATOM 392 N VAL A 26 9.060 6.164 1.781 1.00 73.11 N ATOM 393 CA VAL A 26 8.807 5.934 0.355 1.00 21.54 C ATOM 394 C VAL A 26 7.758 6.906 -0.200 1.00 24.14 C ATOM 395 O VAL A 26 6.949 7.451 0.546 1.00 52.53 O ATOM 396 CB VAL A 26 8.323 4.482 0.095 1.00 20.44 C ATOM 397 CG1 VAL A 26 9.385 3.461 0.506 1.00 33.20 C ATOM 398 CG2 VAL A 26 7.006 4.219 0.825 1.00 3.21 C ATOM 0 H VAL A 26 8.213 6.277 2.338 1.00 73.11 H new ATOM 0 HA VAL A 26 9.755 6.101 -0.156 1.00 21.54 H new ATOM 0 HB VAL A 26 8.154 4.370 -0.976 1.00 20.44 H new ATOM 0 HG11 VAL A 26 9.016 2.454 0.312 1.00 33.20 H new ATOM 0 HG12 VAL A 26 10.295 3.631 -0.069 1.00 33.20 H new ATOM 0 HG13 VAL A 26 9.602 3.569 1.569 1.00 33.20 H new ATOM 0 HG21 VAL A 26 6.681 3.197 0.632 1.00 3.21 H new ATOM 0 HG22 VAL A 26 7.150 4.358 1.896 1.00 3.21 H new ATOM 0 HG23 VAL A 26 6.247 4.915 0.468 1.00 3.21 H new ATOM 408 N GLU A 27 7.770 7.117 -1.513 1.00 23.01 N ATOM 409 CA GLU A 27 6.751 7.953 -2.158 1.00 14.25 C ATOM 410 C GLU A 27 5.648 7.081 -2.783 1.00 51.12 C ATOM 411 O GLU A 27 5.908 6.280 -3.681 1.00 35.23 O ATOM 412 CB GLU A 27 7.388 8.864 -3.216 1.00 74.13 C ATOM 413 CG GLU A 27 6.411 9.866 -3.823 1.00 53.15 C ATOM 414 CD GLU A 27 7.087 10.851 -4.761 1.00 4.14 C ATOM 415 OE1 GLU A 27 7.358 10.482 -5.917 1.00 15.21 O ATOM 416 OE2 GLU A 27 7.356 11.997 -4.341 1.00 24.33 O ATOM 0 H GLU A 27 8.465 6.727 -2.150 1.00 23.01 H new ATOM 0 HA GLU A 27 6.295 8.584 -1.395 1.00 14.25 H new ATOM 0 HB2 GLU A 27 8.219 9.406 -2.765 1.00 74.13 H new ATOM 0 HB3 GLU A 27 7.805 8.247 -4.012 1.00 74.13 H new ATOM 0 HG2 GLU A 27 5.635 9.327 -4.367 1.00 53.15 H new ATOM 0 HG3 GLU A 27 5.916 10.415 -3.022 1.00 53.15 H new ATOM 423 N VAL A 28 4.424 7.249 -2.290 1.00 14.42 N ATOM 424 CA VAL A 28 3.283 6.407 -2.671 1.00 43.21 C ATOM 425 C VAL A 28 2.518 6.989 -3.868 1.00 32.34 C ATOM 426 O VAL A 28 1.850 8.017 -3.752 1.00 21.22 O ATOM 427 CB VAL A 28 2.298 6.253 -1.484 1.00 71.33 C ATOM 428 CG1 VAL A 28 1.183 5.265 -1.822 1.00 22.11 C ATOM 429 CG2 VAL A 28 3.040 5.837 -0.215 1.00 4.22 C ATOM 0 H VAL A 28 4.190 7.974 -1.612 1.00 14.42 H new ATOM 0 HA VAL A 28 3.689 5.435 -2.951 1.00 43.21 H new ATOM 0 HB VAL A 28 1.835 7.222 -1.299 1.00 71.33 H new ATOM 0 HG11 VAL A 28 0.506 5.176 -0.972 1.00 22.11 H new ATOM 0 HG12 VAL A 28 0.630 5.623 -2.690 1.00 22.11 H new ATOM 0 HG13 VAL A 28 1.616 4.290 -2.045 1.00 22.11 H new ATOM 0 HG21 VAL A 28 2.329 5.735 0.605 1.00 4.22 H new ATOM 0 HG22 VAL A 28 3.541 4.883 -0.382 1.00 4.22 H new ATOM 0 HG23 VAL A 28 3.780 6.596 0.039 1.00 4.22 H new ATOM 439 N ILE A 29 2.602 6.329 -5.017 1.00 23.55 N ATOM 440 CA ILE A 29 1.938 6.822 -6.229 1.00 22.11 C ATOM 441 C ILE A 29 0.565 6.164 -6.433 1.00 71.22 C ATOM 442 O ILE A 29 0.292 5.094 -5.889 1.00 10.44 O ATOM 443 CB ILE A 29 2.802 6.576 -7.488 1.00 41.34 C ATOM 444 CG1 ILE A 29 4.294 6.635 -7.129 1.00 62.42 C ATOM 445 CG2 ILE A 29 2.462 7.611 -8.564 1.00 63.25 C ATOM 446 CD1 ILE A 29 5.209 6.318 -8.288 1.00 33.52 C ATOM 0 H ILE A 29 3.118 5.458 -5.140 1.00 23.55 H new ATOM 0 HA ILE A 29 1.802 7.894 -6.089 1.00 22.11 H new ATOM 0 HB ILE A 29 2.585 5.583 -7.880 1.00 41.34 H new ATOM 0 HG12 ILE A 29 4.529 7.631 -6.753 1.00 62.42 H new ATOM 0 HG13 ILE A 29 4.492 5.933 -6.319 1.00 62.42 H new ATOM 0 HG21 ILE A 29 3.074 7.432 -9.448 1.00 63.25 H new ATOM 0 HG22 ILE A 29 1.408 7.527 -8.830 1.00 63.25 H new ATOM 0 HG23 ILE A 29 2.661 8.612 -8.182 1.00 63.25 H new ATOM 0 HD11 ILE A 29 6.247 6.379 -7.960 1.00 33.52 H new ATOM 0 HD12 ILE A 29 5.002 5.311 -8.650 1.00 33.52 H new ATOM 0 HD13 ILE A 29 5.040 7.035 -9.092 1.00 33.52 H new ATOM 458 N SER A 30 -0.289 6.806 -7.232 1.00 52.22 N ATOM 459 CA SER A 30 -1.630 6.279 -7.520 1.00 54.50 C ATOM 460 C SER A 30 -1.844 6.097 -9.030 1.00 51.25 C ATOM 461 O SER A 30 -1.911 7.070 -9.782 1.00 61.13 O ATOM 462 CB SER A 30 -2.708 7.206 -6.948 1.00 63.10 C ATOM 463 OG SER A 30 -4.000 6.630 -7.066 1.00 33.54 O ATOM 0 H SER A 30 -0.079 7.692 -7.692 1.00 52.22 H new ATOM 0 HA SER A 30 -1.711 5.303 -7.042 1.00 54.50 H new ATOM 0 HB2 SER A 30 -2.494 7.412 -5.899 1.00 63.10 H new ATOM 0 HB3 SER A 30 -2.684 8.161 -7.472 1.00 63.10 H new ATOM 0 HG SER A 30 -4.220 6.512 -8.014 1.00 33.54 H new ATOM 469 N GLY A 31 -1.943 4.843 -9.467 1.00 21.33 N ATOM 470 CA GLY A 31 -2.121 4.545 -10.887 1.00 32.33 C ATOM 471 C GLY A 31 -3.527 4.841 -11.400 1.00 60.45 C ATOM 472 O GLY A 31 -4.494 4.213 -10.969 1.00 22.15 O ATOM 0 H GLY A 31 -1.903 4.022 -8.863 1.00 21.33 H new ATOM 0 HA2 GLY A 31 -1.402 5.126 -11.465 1.00 32.33 H new ATOM 0 HA3 GLY A 31 -1.894 3.493 -11.061 1.00 32.33 H new ATOM 711 N GLU A 47 -12.826 -8.691 -8.772 1.00 61.23 N ATOM 712 CA GLU A 47 -11.810 -8.131 -9.670 1.00 34.14 C ATOM 713 C GLU A 47 -11.363 -6.735 -9.198 1.00 43.03 C ATOM 714 O GLU A 47 -10.189 -6.381 -9.298 1.00 50.35 O ATOM 715 CB GLU A 47 -12.327 -8.069 -11.116 1.00 4.34 C ATOM 716 CG GLU A 47 -12.476 -9.437 -11.786 1.00 4.24 C ATOM 717 CD GLU A 47 -13.646 -10.260 -11.254 1.00 51.12 C ATOM 718 OE1 GLU A 47 -13.495 -10.926 -10.209 1.00 14.25 O ATOM 719 OE2 GLU A 47 -14.724 -10.248 -11.885 1.00 11.34 O ATOM 0 HA GLU A 47 -10.945 -8.793 -9.644 1.00 34.14 H new ATOM 0 HB2 GLU A 47 -13.294 -7.566 -11.123 1.00 4.34 H new ATOM 0 HB3 GLU A 47 -11.645 -7.459 -11.708 1.00 4.34 H new ATOM 0 HG2 GLU A 47 -12.603 -9.294 -12.859 1.00 4.24 H new ATOM 0 HG3 GLU A 47 -11.554 -10.002 -11.647 1.00 4.24 H new ATOM 726 N TYR A 48 -12.311 -5.961 -8.663 1.00 4.20 N ATOM 727 CA TYR A 48 -12.012 -4.653 -8.060 1.00 73.23 C ATOM 728 C TYR A 48 -11.021 -4.828 -6.895 1.00 52.40 C ATOM 729 O TYR A 48 -10.075 -4.056 -6.732 1.00 74.43 O ATOM 730 CB TYR A 48 -13.319 -4.011 -7.554 1.00 72.52 C ATOM 731 CG TYR A 48 -13.236 -2.516 -7.281 1.00 32.12 C ATOM 732 CD1 TYR A 48 -12.534 -2.008 -6.192 1.00 70.14 C ATOM 733 CD2 TYR A 48 -13.881 -1.612 -8.117 1.00 62.20 C ATOM 734 CE1 TYR A 48 -12.474 -0.650 -5.953 1.00 3.21 C ATOM 735 CE2 TYR A 48 -13.827 -0.256 -7.886 1.00 50.33 C ATOM 736 CZ TYR A 48 -13.123 0.223 -6.803 1.00 12.43 C ATOM 737 OH TYR A 48 -13.068 1.576 -6.568 1.00 11.34 O ATOM 0 H TYR A 48 -13.298 -6.217 -8.634 1.00 4.20 H new ATOM 0 HA TYR A 48 -11.560 -4.003 -8.809 1.00 73.23 H new ATOM 0 HB2 TYR A 48 -14.102 -4.188 -8.291 1.00 72.52 H new ATOM 0 HB3 TYR A 48 -13.624 -4.516 -6.638 1.00 72.52 H new ATOM 0 HD1 TYR A 48 -12.028 -2.688 -5.523 1.00 70.14 H new ATOM 0 HD2 TYR A 48 -14.437 -1.981 -8.966 1.00 62.20 H new ATOM 0 HE1 TYR A 48 -11.922 -0.272 -5.105 1.00 3.21 H new ATOM 0 HE2 TYR A 48 -14.334 0.429 -8.550 1.00 50.33 H new ATOM 0 HH TYR A 48 -13.576 2.049 -7.260 1.00 11.34 H new ATOM 747 N PHE A 49 -11.248 -5.880 -6.109 1.00 54.25 N ATOM 748 CA PHE A 49 -10.408 -6.217 -4.957 1.00 2.31 C ATOM 749 C PHE A 49 -8.978 -6.562 -5.413 1.00 31.42 C ATOM 750 O PHE A 49 -8.025 -5.828 -5.136 1.00 35.32 O ATOM 751 CB PHE A 49 -11.059 -7.407 -4.220 1.00 45.31 C ATOM 752 CG PHE A 49 -10.360 -7.879 -2.964 1.00 11.34 C ATOM 753 CD1 PHE A 49 -9.311 -8.789 -3.032 1.00 12.21 C ATOM 754 CD2 PHE A 49 -10.777 -7.443 -1.715 1.00 13.01 C ATOM 755 CE1 PHE A 49 -8.690 -9.242 -1.883 1.00 21.34 C ATOM 756 CE2 PHE A 49 -10.162 -7.898 -0.563 1.00 21.04 C ATOM 757 CZ PHE A 49 -9.117 -8.798 -0.648 1.00 13.20 C ATOM 0 H PHE A 49 -12.024 -6.527 -6.253 1.00 54.25 H new ATOM 0 HA PHE A 49 -10.334 -5.364 -4.282 1.00 2.31 H new ATOM 0 HB2 PHE A 49 -12.081 -7.131 -3.960 1.00 45.31 H new ATOM 0 HB3 PHE A 49 -11.122 -8.246 -4.913 1.00 45.31 H new ATOM 0 HD1 PHE A 49 -8.977 -9.147 -3.995 1.00 12.21 H new ATOM 0 HD2 PHE A 49 -11.593 -6.739 -1.641 1.00 13.01 H new ATOM 0 HE1 PHE A 49 -7.871 -9.943 -1.952 1.00 21.34 H new ATOM 0 HE2 PHE A 49 -10.498 -7.550 0.403 1.00 21.04 H new ATOM 0 HZ PHE A 49 -8.635 -9.153 0.251 1.00 13.20 H new ATOM 767 N ASN A 50 -8.848 -7.653 -6.162 1.00 73.44 N ATOM 768 CA ASN A 50 -7.537 -8.144 -6.610 1.00 11.34 C ATOM 769 C ASN A 50 -6.756 -7.097 -7.432 1.00 71.33 C ATOM 770 O ASN A 50 -5.529 -7.173 -7.543 1.00 43.33 O ATOM 771 CB ASN A 50 -7.717 -9.425 -7.432 1.00 4.32 C ATOM 772 CG ASN A 50 -8.256 -10.573 -6.597 1.00 32.24 C ATOM 773 OD1 ASN A 50 -7.959 -10.692 -5.413 1.00 2.23 O ATOM 774 ND2 ASN A 50 -9.070 -11.419 -7.196 1.00 1.45 N ATOM 0 H ASN A 50 -9.635 -8.220 -6.476 1.00 73.44 H new ATOM 0 HA ASN A 50 -6.948 -8.351 -5.716 1.00 11.34 H new ATOM 0 HB2 ASN A 50 -8.398 -9.230 -8.261 1.00 4.32 H new ATOM 0 HB3 ASN A 50 -6.760 -9.713 -7.867 1.00 4.32 H new ATOM 0 HD21 ASN A 50 -9.471 -12.198 -6.673 1.00 1.45 H new ATOM 0 HD22 ASN A 50 -9.299 -11.295 -8.182 1.00 1.45 H new ATOM 781 N ALA A 51 -7.462 -6.123 -8.003 1.00 41.01 N ATOM 782 CA ALA A 51 -6.828 -5.103 -8.848 1.00 10.34 C ATOM 783 C ALA A 51 -6.173 -3.968 -8.035 1.00 45.21 C ATOM 784 O ALA A 51 -5.168 -3.399 -8.462 1.00 35.24 O ATOM 785 CB ALA A 51 -7.846 -4.525 -9.823 1.00 33.03 C ATOM 0 H ALA A 51 -8.471 -6.015 -7.899 1.00 41.01 H new ATOM 0 HA ALA A 51 -6.028 -5.601 -9.396 1.00 10.34 H new ATOM 0 HB1 ALA A 51 -7.366 -3.770 -10.445 1.00 33.03 H new ATOM 0 HB2 ALA A 51 -8.236 -5.322 -10.456 1.00 33.03 H new ATOM 0 HB3 ALA A 51 -8.665 -4.070 -9.266 1.00 33.03 H new ATOM 791 N VAL A 52 -6.740 -3.631 -6.873 1.00 73.33 N ATOM 792 CA VAL A 52 -6.239 -2.491 -6.078 1.00 43.45 C ATOM 793 C VAL A 52 -5.692 -2.905 -4.697 1.00 24.05 C ATOM 794 O VAL A 52 -5.318 -2.049 -3.898 1.00 51.44 O ATOM 795 CB VAL A 52 -7.340 -1.413 -5.881 1.00 63.25 C ATOM 796 CG1 VAL A 52 -7.823 -0.876 -7.228 1.00 63.03 C ATOM 797 CG2 VAL A 52 -8.508 -1.968 -5.063 1.00 22.32 C ATOM 0 H VAL A 52 -7.535 -4.119 -6.461 1.00 73.33 H new ATOM 0 HA VAL A 52 -5.412 -2.078 -6.656 1.00 43.45 H new ATOM 0 HB VAL A 52 -6.904 -0.584 -5.324 1.00 63.25 H new ATOM 0 HG11 VAL A 52 -8.594 -0.123 -7.064 1.00 63.03 H new ATOM 0 HG12 VAL A 52 -6.985 -0.428 -7.763 1.00 63.03 H new ATOM 0 HG13 VAL A 52 -8.235 -1.694 -7.819 1.00 63.03 H new ATOM 0 HG21 VAL A 52 -9.266 -1.194 -4.939 1.00 22.32 H new ATOM 0 HG22 VAL A 52 -8.943 -2.822 -5.583 1.00 22.32 H new ATOM 0 HG23 VAL A 52 -8.149 -2.284 -4.084 1.00 22.32 H new ATOM 807 N ASN A 53 -5.634 -4.208 -4.414 1.00 30.10 N ATOM 808 CA ASN A 53 -5.175 -4.688 -3.095 1.00 74.42 C ATOM 809 C ASN A 53 -3.676 -5.038 -3.060 1.00 71.33 C ATOM 810 O ASN A 53 -3.255 -5.868 -2.256 1.00 41.20 O ATOM 811 CB ASN A 53 -5.987 -5.914 -2.647 1.00 53.32 C ATOM 812 CG ASN A 53 -7.376 -5.553 -2.158 1.00 63.10 C ATOM 813 OD1 ASN A 53 -8.045 -4.650 -2.847 1.00 23.23 O flip ATOM 814 ND2 ASN A 53 -7.860 -6.099 -1.178 1.00 63.20 N flip ATOM 0 H ASN A 53 -5.894 -4.947 -5.067 1.00 30.10 H new ATOM 0 HA ASN A 53 -5.335 -3.857 -2.408 1.00 74.42 H new ATOM 0 HB2 ASN A 53 -6.070 -6.613 -3.479 1.00 53.32 H new ATOM 0 HB3 ASN A 53 -5.449 -6.429 -1.851 1.00 53.32 H new ATOM 0 HD21 ASN A 53 -7.320 -6.794 -0.663 1.00 63.20 H new ATOM 0 HD22 ASN A 53 -8.804 -5.859 -0.875 1.00 63.20 H new ATOM 821 N TYR A 54 -2.858 -4.395 -3.890 1.00 44.40 N ATOM 822 CA TYR A 54 -1.410 -4.659 -3.866 1.00 21.45 C ATOM 823 C TYR A 54 -0.590 -3.391 -4.144 1.00 0.25 C ATOM 824 O TYR A 54 -1.042 -2.481 -4.840 1.00 33.30 O ATOM 825 CB TYR A 54 -1.039 -5.763 -4.873 1.00 1.34 C ATOM 826 CG TYR A 54 -1.174 -5.365 -6.335 1.00 24.32 C ATOM 827 CD1 TYR A 54 -2.423 -5.231 -6.937 1.00 64.13 C ATOM 828 CD2 TYR A 54 -0.045 -5.131 -7.116 1.00 31.20 C ATOM 829 CE1 TYR A 54 -2.538 -4.875 -8.268 1.00 22.30 C ATOM 830 CE2 TYR A 54 -0.156 -4.779 -8.445 1.00 64.21 C ATOM 831 CZ TYR A 54 -1.402 -4.653 -9.017 1.00 12.32 C ATOM 832 OH TYR A 54 -1.510 -4.305 -10.346 1.00 53.23 O ATOM 0 H TYR A 54 -3.158 -3.701 -4.575 1.00 44.40 H new ATOM 0 HA TYR A 54 -1.164 -4.999 -2.860 1.00 21.45 H new ATOM 0 HB2 TYR A 54 -0.010 -6.072 -4.689 1.00 1.34 H new ATOM 0 HB3 TYR A 54 -1.671 -6.632 -4.688 1.00 1.34 H new ATOM 0 HD1 TYR A 54 -3.315 -5.408 -6.355 1.00 64.13 H new ATOM 0 HD2 TYR A 54 0.935 -5.227 -6.673 1.00 31.20 H new ATOM 0 HE1 TYR A 54 -3.514 -4.771 -8.719 1.00 22.30 H new ATOM 0 HE2 TYR A 54 0.731 -4.603 -9.035 1.00 64.21 H new ATOM 0 HH TYR A 54 -0.615 -4.184 -10.726 1.00 53.23 H new ATOM 842 N ALA A 55 0.621 -3.357 -3.594 1.00 32.13 N ATOM 843 CA ALA A 55 1.549 -2.239 -3.797 1.00 22.22 C ATOM 844 C ALA A 55 2.891 -2.736 -4.345 1.00 3.14 C ATOM 845 O ALA A 55 3.395 -3.778 -3.924 1.00 1.24 O ATOM 846 CB ALA A 55 1.761 -1.488 -2.486 1.00 24.25 C ATOM 0 H ALA A 55 0.989 -4.098 -2.997 1.00 32.13 H new ATOM 0 HA ALA A 55 1.112 -1.560 -4.529 1.00 22.22 H new ATOM 0 HB1 ALA A 55 2.451 -0.660 -2.648 1.00 24.25 H new ATOM 0 HB2 ALA A 55 0.806 -1.100 -2.131 1.00 24.25 H new ATOM 0 HB3 ALA A 55 2.177 -2.167 -1.741 1.00 24.25 H new ATOM 852 N GLU A 56 3.464 -1.995 -5.288 1.00 72.01 N ATOM 853 CA GLU A 56 4.752 -2.363 -5.880 1.00 23.44 C ATOM 854 C GLU A 56 5.919 -1.640 -5.182 1.00 40.45 C ATOM 855 O GLU A 56 6.057 -0.419 -5.282 1.00 15.15 O ATOM 856 CB GLU A 56 4.752 -2.064 -7.387 1.00 73.43 C ATOM 857 CG GLU A 56 3.671 -2.827 -8.155 1.00 33.05 C ATOM 858 CD GLU A 56 3.773 -2.667 -9.666 1.00 51.05 C ATOM 859 OE1 GLU A 56 4.483 -3.473 -10.311 1.00 4.43 O ATOM 860 OE2 GLU A 56 3.138 -1.746 -10.219 1.00 63.01 O ATOM 0 H GLU A 56 3.060 -1.136 -5.661 1.00 72.01 H new ATOM 0 HA GLU A 56 4.894 -3.434 -5.736 1.00 23.44 H new ATOM 0 HB2 GLU A 56 4.609 -0.994 -7.538 1.00 73.43 H new ATOM 0 HB3 GLU A 56 5.728 -2.316 -7.801 1.00 73.43 H new ATOM 0 HG2 GLU A 56 3.737 -3.886 -7.904 1.00 33.05 H new ATOM 0 HG3 GLU A 56 2.691 -2.482 -7.826 1.00 33.05 H new ATOM 867 N ILE A 57 6.756 -2.409 -4.480 1.00 14.02 N ATOM 868 CA ILE A 57 7.906 -1.865 -3.744 1.00 34.34 C ATOM 869 C ILE A 57 9.223 -2.259 -4.434 1.00 43.14 C ATOM 870 O ILE A 57 9.335 -3.349 -4.998 1.00 70.34 O ATOM 871 CB ILE A 57 7.955 -2.382 -2.272 1.00 64.12 C ATOM 872 CG1 ILE A 57 6.612 -2.162 -1.543 1.00 20.40 C ATOM 873 CG2 ILE A 57 9.095 -1.715 -1.499 1.00 14.10 C ATOM 874 CD1 ILE A 57 5.574 -3.230 -1.834 1.00 53.33 C ATOM 0 H ILE A 57 6.658 -3.422 -4.404 1.00 14.02 H new ATOM 0 HA ILE A 57 7.787 -0.782 -3.737 1.00 34.34 H new ATOM 0 HB ILE A 57 8.140 -3.456 -2.312 1.00 64.12 H new ATOM 0 HG12 ILE A 57 6.794 -2.129 -0.469 1.00 20.40 H new ATOM 0 HG13 ILE A 57 6.209 -1.190 -1.829 1.00 20.40 H new ATOM 0 HG21 ILE A 57 9.110 -2.091 -0.476 1.00 14.10 H new ATOM 0 HG22 ILE A 57 10.045 -1.943 -1.983 1.00 14.10 H new ATOM 0 HG23 ILE A 57 8.944 -0.636 -1.487 1.00 14.10 H new ATOM 0 HD11 ILE A 57 4.659 -3.006 -1.286 1.00 53.33 H new ATOM 0 HD12 ILE A 57 5.362 -3.249 -2.903 1.00 53.33 H new ATOM 0 HD13 ILE A 57 5.955 -4.202 -1.522 1.00 53.33 H new ATOM 886 N ASN A 58 10.211 -1.366 -4.379 1.00 12.14 N ATOM 887 CA ASN A 58 11.525 -1.619 -4.979 1.00 35.42 C ATOM 888 C ASN A 58 12.223 -2.832 -4.335 1.00 25.11 C ATOM 889 O ASN A 58 12.007 -3.147 -3.163 1.00 44.41 O ATOM 890 CB ASN A 58 12.410 -0.374 -4.855 1.00 5.52 C ATOM 891 CG ASN A 58 13.802 -0.587 -5.428 1.00 24.24 C ATOM 892 OD1 ASN A 58 14.738 -0.954 -4.723 1.00 13.21 O ATOM 893 ND2 ASN A 58 13.947 -0.382 -6.718 1.00 52.11 N ATOM 0 H ASN A 58 10.128 -0.457 -3.924 1.00 12.14 H new ATOM 0 HA ASN A 58 11.369 -1.848 -6.033 1.00 35.42 H new ATOM 0 HB2 ASN A 58 11.933 0.459 -5.370 1.00 5.52 H new ATOM 0 HB3 ASN A 58 12.492 -0.094 -3.805 1.00 5.52 H new ATOM 0 HD21 ASN A 58 14.855 -0.528 -7.159 1.00 52.11 H new ATOM 0 HD22 ASN A 58 13.151 -0.077 -7.279 1.00 52.11 H new ATOM 900 N GLU A 59 13.075 -3.491 -5.118 1.00 53.55 N ATOM 901 CA GLU A 59 13.791 -4.699 -4.688 1.00 15.44 C ATOM 902 C GLU A 59 14.603 -4.460 -3.402 1.00 61.41 C ATOM 903 O GLU A 59 14.494 -5.214 -2.431 1.00 12.41 O ATOM 904 CB GLU A 59 14.716 -5.153 -5.830 1.00 1.53 C ATOM 905 CG GLU A 59 15.368 -6.519 -5.638 1.00 0.24 C ATOM 906 CD GLU A 59 16.565 -6.520 -4.700 1.00 55.10 C ATOM 907 OE1 GLU A 59 17.339 -5.541 -4.705 1.00 3.05 O ATOM 908 OE2 GLU A 59 16.736 -7.506 -3.955 1.00 60.00 O ATOM 0 H GLU A 59 13.292 -3.204 -6.073 1.00 53.55 H new ATOM 0 HA GLU A 59 13.061 -5.476 -4.460 1.00 15.44 H new ATOM 0 HB2 GLU A 59 14.141 -5.170 -6.756 1.00 1.53 H new ATOM 0 HB3 GLU A 59 15.502 -4.408 -5.957 1.00 1.53 H new ATOM 0 HG2 GLU A 59 14.621 -7.213 -5.254 1.00 0.24 H new ATOM 0 HG3 GLU A 59 15.684 -6.897 -6.610 1.00 0.24 H new ATOM 915 N GLU A 60 15.437 -3.430 -3.419 1.00 52.24 N ATOM 916 CA GLU A 60 16.262 -3.072 -2.253 1.00 11.02 C ATOM 917 C GLU A 60 15.415 -2.840 -0.985 1.00 4.42 C ATOM 918 O GLU A 60 15.667 -3.452 0.058 1.00 22.41 O ATOM 919 CB GLU A 60 17.110 -1.829 -2.558 1.00 21.41 C ATOM 920 CG GLU A 60 18.118 -2.031 -3.687 1.00 23.12 C ATOM 921 CD GLU A 60 19.059 -0.849 -3.852 1.00 61.24 C ATOM 922 OE1 GLU A 60 19.913 -0.642 -2.962 1.00 70.24 O ATOM 923 OE2 GLU A 60 18.951 -0.124 -4.864 1.00 52.54 O ATOM 0 H GLU A 60 15.567 -2.820 -4.226 1.00 52.24 H new ATOM 0 HA GLU A 60 16.920 -3.918 -2.054 1.00 11.02 H new ATOM 0 HB2 GLU A 60 16.447 -1.004 -2.819 1.00 21.41 H new ATOM 0 HB3 GLU A 60 17.645 -1.535 -1.655 1.00 21.41 H new ATOM 0 HG2 GLU A 60 18.702 -2.930 -3.491 1.00 23.12 H new ATOM 0 HG3 GLU A 60 17.582 -2.197 -4.622 1.00 23.12 H new ATOM 930 N ASP A 61 14.407 -1.970 -1.078 1.00 42.10 N ATOM 931 CA ASP A 61 13.528 -1.676 0.071 1.00 52.42 C ATOM 932 C ASP A 61 12.796 -2.945 0.532 1.00 54.11 C ATOM 933 O ASP A 61 12.574 -3.167 1.727 1.00 43.23 O ATOM 934 CB ASP A 61 12.507 -0.597 -0.305 1.00 42.42 C ATOM 935 CG ASP A 61 13.168 0.669 -0.814 1.00 75.22 C ATOM 936 OD1 ASP A 61 13.432 0.751 -2.025 1.00 53.34 O ATOM 937 OD2 ASP A 61 13.430 1.586 -0.006 1.00 32.01 O ATOM 0 H ASP A 61 14.175 -1.457 -1.928 1.00 42.10 H new ATOM 0 HA ASP A 61 14.148 -1.312 0.890 1.00 52.42 H new ATOM 0 HB2 ASP A 61 11.835 -0.986 -1.070 1.00 42.42 H new ATOM 0 HB3 ASP A 61 11.895 -0.360 0.565 1.00 42.42 H new ATOM 942 N TRP A 62 12.442 -3.774 -0.442 1.00 33.35 N ATOM 943 CA TRP A 62 11.782 -5.057 -0.201 1.00 34.31 C ATOM 944 C TRP A 62 12.560 -5.918 0.809 1.00 34.53 C ATOM 945 O TRP A 62 12.012 -6.376 1.816 1.00 52.23 O ATOM 946 CB TRP A 62 11.669 -5.795 -1.540 1.00 13.23 C ATOM 947 CG TRP A 62 10.929 -7.089 -1.472 1.00 43.00 C ATOM 948 CD1 TRP A 62 11.432 -8.311 -1.136 1.00 51.54 C ATOM 949 CD2 TRP A 62 9.549 -7.283 -1.766 1.00 64.31 C ATOM 950 NE1 TRP A 62 10.441 -9.254 -1.197 1.00 63.24 N ATOM 951 CE2 TRP A 62 9.274 -8.647 -1.582 1.00 60.43 C ATOM 952 CE3 TRP A 62 8.519 -6.431 -2.159 1.00 13.13 C ATOM 953 CZ2 TRP A 62 8.012 -9.178 -1.786 1.00 21.15 C ATOM 954 CZ3 TRP A 62 7.264 -6.962 -2.360 1.00 32.44 C ATOM 955 CH2 TRP A 62 7.018 -8.325 -2.170 1.00 73.44 C ATOM 0 H TRP A 62 12.605 -3.576 -1.429 1.00 33.35 H new ATOM 0 HA TRP A 62 10.796 -4.874 0.225 1.00 34.31 H new ATOM 0 HB2 TRP A 62 11.172 -5.144 -2.259 1.00 13.23 H new ATOM 0 HB3 TRP A 62 12.672 -5.984 -1.922 1.00 13.23 H new ATOM 0 HD1 TRP A 62 12.458 -8.506 -0.863 1.00 51.54 H new ATOM 0 HE1 TRP A 62 10.553 -10.246 -0.990 1.00 63.24 H new ATOM 0 HE3 TRP A 62 8.701 -5.376 -2.303 1.00 13.13 H new ATOM 0 HZ2 TRP A 62 7.820 -10.232 -1.646 1.00 21.15 H new ATOM 0 HZ3 TRP A 62 6.457 -6.315 -2.669 1.00 32.44 H new ATOM 0 HH2 TRP A 62 6.022 -8.711 -2.330 1.00 73.44 H new ATOM 966 N ASN A 63 13.843 -6.134 0.534 1.00 62.33 N ATOM 967 CA ASN A 63 14.697 -6.943 1.407 1.00 4.13 C ATOM 968 C ASN A 63 15.054 -6.197 2.698 1.00 42.21 C ATOM 969 O ASN A 63 15.238 -6.814 3.749 1.00 31.35 O ATOM 970 CB ASN A 63 15.969 -7.363 0.665 1.00 11.14 C ATOM 971 CG ASN A 63 15.664 -8.254 -0.522 1.00 70.31 C ATOM 972 OD1 ASN A 63 15.624 -9.475 -0.406 1.00 30.21 O ATOM 973 ND2 ASN A 63 15.442 -7.658 -1.673 1.00 2.32 N ATOM 0 H ASN A 63 14.318 -5.760 -0.288 1.00 62.33 H new ATOM 0 HA ASN A 63 14.136 -7.835 1.685 1.00 4.13 H new ATOM 0 HB2 ASN A 63 16.501 -6.474 0.325 1.00 11.14 H new ATOM 0 HB3 ASN A 63 16.633 -7.888 1.352 1.00 11.14 H new ATOM 0 HD21 ASN A 63 15.229 -8.213 -2.502 1.00 2.32 H new ATOM 0 HD22 ASN A 63 15.483 -6.641 -1.737 1.00 2.32 H new ATOM 980 N ALA A 64 15.129 -4.867 2.622 1.00 14.34 N ATOM 981 CA ALA A 64 15.404 -4.035 3.801 1.00 22.53 C ATOM 982 C ALA A 64 14.348 -4.246 4.902 1.00 65.10 C ATOM 983 O ALA A 64 14.655 -4.195 6.096 1.00 11.51 O ATOM 984 CB ALA A 64 15.468 -2.568 3.399 1.00 40.14 C ATOM 0 H ALA A 64 15.004 -4.340 1.758 1.00 14.34 H new ATOM 0 HA ALA A 64 16.368 -4.337 4.209 1.00 22.53 H new ATOM 0 HB1 ALA A 64 15.672 -1.958 4.279 1.00 40.14 H new ATOM 0 HB2 ALA A 64 16.263 -2.426 2.667 1.00 40.14 H new ATOM 0 HB3 ALA A 64 14.515 -2.268 2.963 1.00 40.14 H new ATOM 990 N LEU A 65 13.101 -4.475 4.485 1.00 35.33 N ATOM 991 CA LEU A 65 12.003 -4.780 5.415 1.00 43.24 C ATOM 992 C LEU A 65 11.882 -6.296 5.667 1.00 40.12 C ATOM 993 O LEU A 65 11.199 -6.733 6.596 1.00 24.33 O ATOM 994 CB LEU A 65 10.683 -4.241 4.848 1.00 33.34 C ATOM 995 CG LEU A 65 10.635 -2.719 4.642 1.00 40.14 C ATOM 996 CD1 LEU A 65 9.374 -2.310 3.885 1.00 31.34 C ATOM 997 CD2 LEU A 65 10.723 -1.988 5.982 1.00 13.25 C ATOM 0 H LEU A 65 12.822 -4.456 3.504 1.00 35.33 H new ATOM 0 HA LEU A 65 12.221 -4.297 6.368 1.00 43.24 H new ATOM 0 HB2 LEU A 65 10.491 -4.728 3.892 1.00 33.34 H new ATOM 0 HB3 LEU A 65 9.873 -4.527 5.520 1.00 33.34 H new ATOM 0 HG LEU A 65 11.497 -2.433 4.040 1.00 40.14 H new ATOM 0 HD11 LEU A 65 9.364 -1.228 3.752 1.00 31.34 H new ATOM 0 HD12 LEU A 65 9.362 -2.795 2.909 1.00 31.34 H new ATOM 0 HD13 LEU A 65 8.494 -2.614 4.452 1.00 31.34 H new ATOM 0 HD21 LEU A 65 10.687 -0.912 5.812 1.00 13.25 H new ATOM 0 HD22 LEU A 65 9.885 -2.284 6.614 1.00 13.25 H new ATOM 0 HD23 LEU A 65 11.659 -2.246 6.477 1.00 13.25 H new ATOM 1009 N GLY A 66 12.549 -7.089 4.830 1.00 21.24 N ATOM 1010 CA GLY A 66 12.482 -8.545 4.944 1.00 53.12 C ATOM 1011 C GLY A 66 11.170 -9.119 4.423 1.00 72.04 C ATOM 1012 O GLY A 66 10.557 -9.984 5.057 1.00 42.14 O ATOM 0 H GLY A 66 13.139 -6.750 4.070 1.00 21.24 H new ATOM 0 HA2 GLY A 66 13.311 -8.987 4.391 1.00 53.12 H new ATOM 0 HA3 GLY A 66 12.608 -8.829 5.989 1.00 53.12 H new ATOM 1016 N LEU A 67 10.738 -8.634 3.265 1.00 43.51 N ATOM 1017 CA LEU A 67 9.488 -9.082 2.653 1.00 32.41 C ATOM 1018 C LEU A 67 9.679 -10.356 1.814 1.00 65.54 C ATOM 1019 O LEU A 67 10.751 -10.607 1.258 1.00 72.22 O ATOM 1020 CB LEU A 67 8.920 -7.965 1.766 1.00 41.13 C ATOM 1021 CG LEU A 67 8.475 -6.692 2.504 1.00 43.53 C ATOM 1022 CD1 LEU A 67 8.131 -5.577 1.514 1.00 24.43 C ATOM 1023 CD2 LEU A 67 7.280 -6.993 3.402 1.00 22.04 C ATOM 0 H LEU A 67 11.237 -7.926 2.726 1.00 43.51 H new ATOM 0 HA LEU A 67 8.792 -9.317 3.458 1.00 32.41 H new ATOM 0 HB2 LEU A 67 9.675 -7.691 1.029 1.00 41.13 H new ATOM 0 HB3 LEU A 67 8.067 -8.361 1.215 1.00 41.13 H new ATOM 0 HG LEU A 67 9.304 -6.350 3.124 1.00 43.53 H new ATOM 0 HD11 LEU A 67 7.819 -4.688 2.062 1.00 24.43 H new ATOM 0 HD12 LEU A 67 9.008 -5.343 0.911 1.00 24.43 H new ATOM 0 HD13 LEU A 67 7.320 -5.905 0.864 1.00 24.43 H new ATOM 0 HD21 LEU A 67 6.975 -6.083 3.919 1.00 22.04 H new ATOM 0 HD22 LEU A 67 6.452 -7.361 2.795 1.00 22.04 H new ATOM 0 HD23 LEU A 67 7.557 -7.751 4.135 1.00 22.04 H new ATOM 1035 N GLN A 68 8.628 -11.161 1.744 1.00 44.32 N ATOM 1036 CA GLN A 68 8.567 -12.295 0.823 1.00 44.53 C ATOM 1037 C GLN A 68 7.464 -12.047 -0.209 1.00 43.15 C ATOM 1038 O GLN A 68 6.440 -11.436 0.104 1.00 64.21 O ATOM 1039 CB GLN A 68 8.293 -13.606 1.578 1.00 70.15 C ATOM 1040 CG GLN A 68 8.299 -14.840 0.678 1.00 21.55 C ATOM 1041 CD GLN A 68 7.948 -16.122 1.414 1.00 31.24 C ATOM 1042 OE1 GLN A 68 7.187 -16.114 2.376 1.00 52.42 O ATOM 1043 NE2 GLN A 68 8.499 -17.235 0.969 1.00 3.13 N ATOM 0 H GLN A 68 7.794 -11.050 2.321 1.00 44.32 H new ATOM 0 HA GLN A 68 9.530 -12.390 0.321 1.00 44.53 H new ATOM 0 HB2 GLN A 68 9.045 -13.731 2.358 1.00 70.15 H new ATOM 0 HB3 GLN A 68 7.326 -13.534 2.076 1.00 70.15 H new ATOM 0 HG2 GLN A 68 7.590 -14.691 -0.136 1.00 21.55 H new ATOM 0 HG3 GLN A 68 9.285 -14.947 0.226 1.00 21.55 H new ATOM 0 HE21 GLN A 68 9.128 -17.207 0.166 1.00 3.13 H new ATOM 0 HE22 GLN A 68 8.296 -18.123 1.428 1.00 3.13 H new ATOM 1052 N GLU A 69 7.676 -12.492 -1.442 1.00 12.21 N ATOM 1053 CA GLU A 69 6.713 -12.249 -2.518 1.00 51.41 C ATOM 1054 C GLU A 69 5.348 -12.885 -2.213 1.00 43.31 C ATOM 1055 O GLU A 69 5.101 -14.064 -2.481 1.00 40.31 O ATOM 1056 CB GLU A 69 7.303 -12.719 -3.854 1.00 61.23 C ATOM 1057 CG GLU A 69 8.507 -11.870 -4.266 1.00 21.01 C ATOM 1058 CD GLU A 69 9.327 -12.469 -5.400 1.00 53.44 C ATOM 1059 OE1 GLU A 69 9.913 -13.555 -5.201 1.00 33.14 O ATOM 1060 OE2 GLU A 69 9.428 -11.840 -6.475 1.00 52.04 O ATOM 0 H GLU A 69 8.501 -13.021 -1.724 1.00 12.21 H new ATOM 0 HA GLU A 69 6.527 -11.178 -2.594 1.00 51.41 H new ATOM 0 HB2 GLU A 69 7.604 -13.763 -3.772 1.00 61.23 H new ATOM 0 HB3 GLU A 69 6.538 -12.667 -4.629 1.00 61.23 H new ATOM 0 HG2 GLU A 69 8.157 -10.883 -4.567 1.00 21.01 H new ATOM 0 HG3 GLU A 69 9.153 -11.729 -3.399 1.00 21.01 H new ATOM 1067 N GLY A 70 4.476 -12.070 -1.618 1.00 21.43 N ATOM 1068 CA GLY A 70 3.160 -12.530 -1.170 1.00 43.24 C ATOM 1069 C GLY A 70 2.773 -12.001 0.217 1.00 5.55 C ATOM 1070 O GLY A 70 1.643 -12.203 0.666 1.00 23.42 O ATOM 0 H GLY A 70 4.658 -11.083 -1.434 1.00 21.43 H new ATOM 0 HA2 GLY A 70 2.407 -12.217 -1.894 1.00 43.24 H new ATOM 0 HA3 GLY A 70 3.150 -13.620 -1.151 1.00 43.24 H new ATOM 1074 N ASP A 71 3.709 -11.334 0.903 1.00 31.55 N ATOM 1075 CA ASP A 71 3.458 -10.777 2.248 1.00 74.41 C ATOM 1076 C ASP A 71 2.476 -9.585 2.235 1.00 24.35 C ATOM 1077 O ASP A 71 2.001 -9.157 1.183 1.00 13.32 O ATOM 1078 CB ASP A 71 4.781 -10.335 2.899 1.00 5.52 C ATOM 1079 CG ASP A 71 5.639 -11.494 3.385 1.00 54.31 C ATOM 1080 OD1 ASP A 71 5.192 -12.655 3.310 1.00 31.11 O ATOM 1081 OD2 ASP A 71 6.765 -11.239 3.870 1.00 41.34 O ATOM 0 H ASP A 71 4.651 -11.164 0.552 1.00 31.55 H new ATOM 0 HA ASP A 71 2.997 -11.576 2.829 1.00 74.41 H new ATOM 0 HB2 ASP A 71 5.352 -9.748 2.179 1.00 5.52 H new ATOM 0 HB3 ASP A 71 4.560 -9.679 3.741 1.00 5.52 H new ATOM 1086 N ARG A 72 2.187 -9.059 3.430 1.00 64.35 N ATOM 1087 CA ARG A 72 1.302 -7.898 3.595 1.00 3.32 C ATOM 1088 C ARG A 72 2.092 -6.689 4.123 1.00 40.55 C ATOM 1089 O ARG A 72 2.947 -6.833 5.001 1.00 25.32 O ATOM 1090 CB ARG A 72 0.176 -8.237 4.580 1.00 63.44 C ATOM 1091 CG ARG A 72 -0.537 -9.552 4.278 1.00 4.10 C ATOM 1092 CD ARG A 72 -1.515 -9.925 5.387 1.00 1.53 C ATOM 1093 NE ARG A 72 -0.893 -9.848 6.709 1.00 61.45 N ATOM 1094 CZ ARG A 72 -0.159 -10.790 7.239 1.00 71.12 C ATOM 1095 NH1 ARG A 72 0.055 -11.899 6.611 1.00 73.52 N ATOM 1096 NH2 ARG A 72 0.365 -10.615 8.408 1.00 60.25 N ATOM 0 H ARG A 72 2.558 -9.423 4.308 1.00 64.35 H new ATOM 0 HA ARG A 72 0.877 -7.648 2.623 1.00 3.32 H new ATOM 0 HB2 ARG A 72 0.590 -8.283 5.587 1.00 63.44 H new ATOM 0 HB3 ARG A 72 -0.555 -7.429 4.572 1.00 63.44 H new ATOM 0 HG2 ARG A 72 -1.072 -9.468 3.332 1.00 4.10 H new ATOM 0 HG3 ARG A 72 0.199 -10.347 4.158 1.00 4.10 H new ATOM 0 HD2 ARG A 72 -2.376 -9.258 5.351 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -1.887 -10.936 5.219 1.00 1.53 H new ATOM 0 HE ARG A 72 -1.043 -9.000 7.255 1.00 61.45 H new ATOM 0 HH11 ARG A 72 -0.352 -12.049 5.688 1.00 73.52 H new ATOM 0 HH12 ARG A 72 0.630 -12.624 7.039 1.00 73.52 H new ATOM 0 HH21 ARG A 72 0.205 -9.744 8.913 1.00 60.25 H new ATOM 0 HH22 ARG A 72 0.939 -11.348 8.825 1.00 60.25 H new ATOM 1110 N VAL A 73 1.800 -5.498 3.603 1.00 4.21 N ATOM 1111 CA VAL A 73 2.524 -4.286 4.004 1.00 73.14 C ATOM 1112 C VAL A 73 1.586 -3.169 4.498 1.00 44.13 C ATOM 1113 O VAL A 73 0.505 -2.945 3.947 1.00 34.24 O ATOM 1114 CB VAL A 73 3.402 -3.736 2.848 1.00 35.44 C ATOM 1115 CG1 VAL A 73 4.529 -4.709 2.509 1.00 4.11 C ATOM 1116 CG2 VAL A 73 2.557 -3.439 1.609 1.00 12.02 C ATOM 0 H VAL A 73 1.071 -5.343 2.906 1.00 4.21 H new ATOM 0 HA VAL A 73 3.163 -4.588 4.834 1.00 73.14 H new ATOM 0 HB VAL A 73 3.848 -2.801 3.186 1.00 35.44 H new ATOM 0 HG11 VAL A 73 5.130 -4.301 1.696 1.00 4.11 H new ATOM 0 HG12 VAL A 73 5.158 -4.857 3.387 1.00 4.11 H new ATOM 0 HG13 VAL A 73 4.104 -5.665 2.202 1.00 4.11 H new ATOM 0 HG21 VAL A 73 3.198 -3.055 0.815 1.00 12.02 H new ATOM 0 HG22 VAL A 73 2.071 -4.355 1.272 1.00 12.02 H new ATOM 0 HG23 VAL A 73 1.799 -2.695 1.855 1.00 12.02 H new ATOM 1126 N LYS A 74 2.018 -2.486 5.557 1.00 14.42 N ATOM 1127 CA LYS A 74 1.334 -1.293 6.067 1.00 64.41 C ATOM 1128 C LYS A 74 1.898 -0.028 5.394 1.00 33.23 C ATOM 1129 O LYS A 74 3.114 0.168 5.335 1.00 1.55 O ATOM 1130 CB LYS A 74 1.512 -1.191 7.594 1.00 11.12 C ATOM 1131 CG LYS A 74 0.941 0.090 8.214 1.00 72.12 C ATOM 1132 CD LYS A 74 -0.579 0.051 8.390 1.00 41.45 C ATOM 1133 CE LYS A 74 -0.997 -0.870 9.536 1.00 14.35 C ATOM 1134 NZ LYS A 74 -2.431 -0.697 9.894 1.00 64.14 N ATOM 0 H LYS A 74 2.851 -2.742 6.087 1.00 14.42 H new ATOM 0 HA LYS A 74 0.272 -1.376 5.836 1.00 64.41 H new ATOM 0 HB2 LYS A 74 1.033 -2.051 8.062 1.00 11.12 H new ATOM 0 HB3 LYS A 74 2.575 -1.251 7.829 1.00 11.12 H new ATOM 0 HG2 LYS A 74 1.408 0.255 9.185 1.00 72.12 H new ATOM 0 HG3 LYS A 74 1.205 0.939 7.584 1.00 72.12 H new ATOM 0 HD2 LYS A 74 -0.948 1.059 8.581 1.00 41.45 H new ATOM 0 HD3 LYS A 74 -1.043 -0.288 7.464 1.00 41.45 H new ATOM 0 HE2 LYS A 74 -0.816 -1.907 9.252 1.00 14.35 H new ATOM 0 HE3 LYS A 74 -0.378 -0.666 10.410 1.00 14.35 H new ATOM 0 HZ1 LYS A 74 -2.653 -1.276 10.729 1.00 64.14 H new ATOM 0 HZ2 LYS A 74 -2.617 0.304 10.108 1.00 64.14 H new ATOM 0 HZ3 LYS A 74 -3.027 -0.997 9.096 1.00 64.14 H new ATOM 1148 N VAL A 75 1.010 0.828 4.904 1.00 32.34 N ATOM 1149 CA VAL A 75 1.402 2.066 4.221 1.00 5.44 C ATOM 1150 C VAL A 75 0.839 3.272 4.976 1.00 63.31 C ATOM 1151 O VAL A 75 -0.364 3.342 5.229 1.00 53.45 O ATOM 1152 CB VAL A 75 0.895 2.092 2.756 1.00 73.10 C ATOM 1153 CG1 VAL A 75 1.364 3.358 2.037 1.00 34.12 C ATOM 1154 CG2 VAL A 75 1.345 0.838 2.003 1.00 12.32 C ATOM 0 H VAL A 75 0.001 0.690 4.966 1.00 32.34 H new ATOM 0 HA VAL A 75 2.491 2.110 4.205 1.00 5.44 H new ATOM 0 HB VAL A 75 -0.195 2.102 2.776 1.00 73.10 H new ATOM 0 HG11 VAL A 75 0.995 3.352 1.011 1.00 34.12 H new ATOM 0 HG12 VAL A 75 0.978 4.235 2.556 1.00 34.12 H new ATOM 0 HG13 VAL A 75 2.454 3.390 2.030 1.00 34.12 H new ATOM 0 HG21 VAL A 75 0.978 0.878 0.977 1.00 12.32 H new ATOM 0 HG22 VAL A 75 2.434 0.788 1.997 1.00 12.32 H new ATOM 0 HG23 VAL A 75 0.944 -0.047 2.498 1.00 12.32 H new ATOM 1164 N LYS A 76 1.703 4.216 5.344 1.00 55.41 N ATOM 1165 CA LYS A 76 1.306 5.315 6.236 1.00 23.03 C ATOM 1166 C LYS A 76 1.784 6.686 5.746 1.00 1.44 C ATOM 1167 O LYS A 76 2.952 6.875 5.403 1.00 22.41 O ATOM 1168 CB LYS A 76 1.843 5.038 7.644 1.00 50.34 C ATOM 1169 CG LYS A 76 1.213 3.811 8.293 1.00 21.32 C ATOM 1170 CD LYS A 76 2.006 3.319 9.491 1.00 30.42 C ATOM 1171 CE LYS A 76 2.105 4.368 10.599 1.00 73.30 C ATOM 1172 NZ LYS A 76 0.768 4.780 11.109 1.00 13.12 N ATOM 0 H LYS A 76 2.677 4.247 5.043 1.00 55.41 H new ATOM 0 HA LYS A 76 0.217 5.354 6.245 1.00 23.03 H new ATOM 0 HB2 LYS A 76 2.923 4.901 7.594 1.00 50.34 H new ATOM 0 HB3 LYS A 76 1.661 5.909 8.274 1.00 50.34 H new ATOM 0 HG2 LYS A 76 0.197 4.050 8.607 1.00 21.32 H new ATOM 0 HG3 LYS A 76 1.139 3.011 7.556 1.00 21.32 H new ATOM 0 HD2 LYS A 76 1.537 2.419 9.888 1.00 30.42 H new ATOM 0 HD3 LYS A 76 3.009 3.040 9.169 1.00 30.42 H new ATOM 0 HE2 LYS A 76 2.698 3.969 11.422 1.00 73.30 H new ATOM 0 HE3 LYS A 76 2.633 5.244 10.221 1.00 73.30 H new ATOM 0 HZ1 LYS A 76 0.540 5.731 10.756 1.00 13.12 H new ATOM 0 HZ2 LYS A 76 0.048 4.106 10.779 1.00 13.12 H new ATOM 0 HZ3 LYS A 76 0.781 4.791 12.149 1.00 13.12 H new ATOM 1186 N THR A 77 0.861 7.644 5.733 1.00 51.13 N ATOM 1187 CA THR A 77 1.153 9.028 5.321 1.00 65.32 C ATOM 1188 C THR A 77 0.424 10.035 6.222 1.00 32.54 C ATOM 1189 O THR A 77 -0.260 9.656 7.179 1.00 53.44 O ATOM 1190 CB THR A 77 0.719 9.313 3.860 1.00 4.10 C ATOM 1191 OG1 THR A 77 -0.714 9.334 3.773 1.00 71.22 O ATOM 1192 CG2 THR A 77 1.280 8.278 2.884 1.00 53.11 C ATOM 0 H THR A 77 -0.110 7.491 6.006 1.00 51.13 H new ATOM 0 HA THR A 77 2.234 9.141 5.407 1.00 65.32 H new ATOM 0 HB THR A 77 1.123 10.286 3.580 1.00 4.10 H new ATOM 0 HG1 THR A 77 -0.983 9.432 2.836 1.00 71.22 H new ATOM 0 HG21 THR A 77 0.951 8.516 1.872 1.00 53.11 H new ATOM 0 HG22 THR A 77 2.369 8.293 2.924 1.00 53.11 H new ATOM 0 HG23 THR A 77 0.920 7.286 3.159 1.00 53.11 H new ATOM 1200 N GLU A 78 0.551 11.321 5.896 1.00 71.04 N ATOM 1201 CA GLU A 78 -0.140 12.383 6.639 1.00 62.13 C ATOM 1202 C GLU A 78 -1.661 12.349 6.398 1.00 32.01 C ATOM 1203 O GLU A 78 -2.424 13.025 7.093 1.00 4.31 O ATOM 1204 CB GLU A 78 0.425 13.756 6.247 1.00 22.34 C ATOM 1205 CG GLU A 78 0.262 14.095 4.768 1.00 54.23 C ATOM 1206 CD GLU A 78 0.905 15.421 4.396 1.00 65.44 C ATOM 1207 OE1 GLU A 78 0.271 16.477 4.607 1.00 51.34 O ATOM 1208 OE2 GLU A 78 2.056 15.416 3.908 1.00 14.51 O ATOM 0 H GLU A 78 1.125 11.656 5.123 1.00 71.04 H new ATOM 0 HA GLU A 78 0.033 12.210 7.701 1.00 62.13 H new ATOM 0 HB2 GLU A 78 -0.069 14.524 6.842 1.00 22.34 H new ATOM 0 HB3 GLU A 78 1.484 13.788 6.502 1.00 22.34 H new ATOM 0 HG2 GLU A 78 0.703 13.300 4.167 1.00 54.23 H new ATOM 0 HG3 GLU A 78 -0.799 14.129 4.522 1.00 54.23 H new ATOM 1215 N PHE A 79 -2.095 11.561 5.411 1.00 3.22 N ATOM 1216 CA PHE A 79 -3.524 11.407 5.102 1.00 53.41 C ATOM 1217 C PHE A 79 -4.149 10.260 5.910 1.00 3.12 C ATOM 1218 O PHE A 79 -5.269 10.376 6.406 1.00 71.43 O ATOM 1219 CB PHE A 79 -3.723 11.162 3.598 1.00 14.12 C ATOM 1220 CG PHE A 79 -3.334 12.338 2.738 1.00 31.21 C ATOM 1221 CD1 PHE A 79 -2.023 12.506 2.317 1.00 61.43 C ATOM 1222 CD2 PHE A 79 -4.282 13.277 2.353 1.00 3.45 C ATOM 1223 CE1 PHE A 79 -1.667 13.584 1.529 1.00 3.22 C ATOM 1224 CE2 PHE A 79 -3.929 14.355 1.565 1.00 64.31 C ATOM 1225 CZ PHE A 79 -2.619 14.510 1.154 1.00 71.42 C ATOM 0 H PHE A 79 -1.477 11.017 4.809 1.00 3.22 H new ATOM 0 HA PHE A 79 -4.027 12.333 5.382 1.00 53.41 H new ATOM 0 HB2 PHE A 79 -3.136 10.294 3.299 1.00 14.12 H new ATOM 0 HB3 PHE A 79 -4.769 10.918 3.413 1.00 14.12 H new ATOM 0 HD1 PHE A 79 -1.272 11.786 2.608 1.00 61.43 H new ATOM 0 HD2 PHE A 79 -5.307 13.163 2.673 1.00 3.45 H new ATOM 0 HE1 PHE A 79 -0.643 13.702 1.206 1.00 3.22 H new ATOM 0 HE2 PHE A 79 -4.677 15.076 1.270 1.00 64.31 H new ATOM 0 HZ PHE A 79 -2.341 15.354 0.541 1.00 71.42 H new ATOM 1235 N GLY A 80 -3.420 9.158 6.050 1.00 24.42 N ATOM 1236 CA GLY A 80 -3.922 8.010 6.803 1.00 43.42 C ATOM 1237 C GLY A 80 -3.033 6.781 6.661 1.00 12.43 C ATOM 1238 O GLY A 80 -1.813 6.904 6.536 1.00 4.35 O ATOM 0 H GLY A 80 -2.487 9.034 5.656 1.00 24.42 H new ATOM 0 HA2 GLY A 80 -4.000 8.278 7.857 1.00 43.42 H new ATOM 0 HA3 GLY A 80 -4.928 7.768 6.461 1.00 43.42 H new ATOM 1242 N GLU A 81 -3.633 5.592 6.689 1.00 2.22 N ATOM 1243 CA GLU A 81 -2.877 4.348 6.516 1.00 44.51 C ATOM 1244 C GLU A 81 -3.752 3.207 5.980 1.00 5.31 C ATOM 1245 O GLU A 81 -4.968 3.193 6.172 1.00 71.32 O ATOM 1246 CB GLU A 81 -2.208 3.926 7.833 1.00 45.44 C ATOM 1247 CG GLU A 81 -3.172 3.706 8.992 1.00 71.00 C ATOM 1248 CD GLU A 81 -2.465 3.201 10.240 1.00 63.44 C ATOM 1249 OE1 GLU A 81 -1.721 3.982 10.867 1.00 20.42 O ATOM 1250 OE2 GLU A 81 -2.626 2.011 10.584 1.00 12.31 O ATOM 0 H GLU A 81 -4.635 5.462 6.829 1.00 2.22 H new ATOM 0 HA GLU A 81 -2.105 4.549 5.773 1.00 44.51 H new ATOM 0 HB2 GLU A 81 -1.649 3.006 7.663 1.00 45.44 H new ATOM 0 HB3 GLU A 81 -1.485 4.690 8.119 1.00 45.44 H new ATOM 0 HG2 GLU A 81 -3.683 4.641 9.220 1.00 71.00 H new ATOM 0 HG3 GLU A 81 -3.937 2.989 8.695 1.00 71.00 H new ATOM 1257 N VAL A 82 -3.116 2.250 5.309 1.00 51.13 N ATOM 1258 CA VAL A 82 -3.820 1.103 4.724 1.00 3.11 C ATOM 1259 C VAL A 82 -2.920 -0.146 4.695 1.00 23.35 C ATOM 1260 O VAL A 82 -1.695 -0.037 4.706 1.00 51.32 O ATOM 1261 CB VAL A 82 -4.302 1.434 3.285 1.00 73.05 C ATOM 1262 CG1 VAL A 82 -3.118 1.617 2.335 1.00 23.22 C ATOM 1263 CG2 VAL A 82 -5.272 0.375 2.763 1.00 41.53 C ATOM 0 H VAL A 82 -2.108 2.243 5.154 1.00 51.13 H new ATOM 0 HA VAL A 82 -4.686 0.892 5.352 1.00 3.11 H new ATOM 0 HB VAL A 82 -4.843 2.379 3.329 1.00 73.05 H new ATOM 0 HG11 VAL A 82 -3.486 1.848 1.335 1.00 23.22 H new ATOM 0 HG12 VAL A 82 -2.491 2.435 2.689 1.00 23.22 H new ATOM 0 HG13 VAL A 82 -2.532 0.699 2.303 1.00 23.22 H new ATOM 0 HG21 VAL A 82 -5.589 0.638 1.754 1.00 41.53 H new ATOM 0 HG22 VAL A 82 -4.776 -0.596 2.746 1.00 41.53 H new ATOM 0 HG23 VAL A 82 -6.143 0.326 3.416 1.00 41.53 H new ATOM 1273 N VAL A 83 -3.532 -1.332 4.680 1.00 43.54 N ATOM 1274 CA VAL A 83 -2.781 -2.592 4.585 1.00 30.52 C ATOM 1275 C VAL A 83 -3.108 -3.331 3.279 1.00 74.22 C ATOM 1276 O VAL A 83 -4.252 -3.738 3.059 1.00 53.35 O ATOM 1277 CB VAL A 83 -3.081 -3.535 5.779 1.00 2.44 C ATOM 1278 CG1 VAL A 83 -2.197 -4.782 5.721 1.00 12.00 C ATOM 1279 CG2 VAL A 83 -2.904 -2.809 7.108 1.00 70.53 C ATOM 0 H VAL A 83 -4.544 -1.449 4.732 1.00 43.54 H new ATOM 0 HA VAL A 83 -1.724 -2.325 4.603 1.00 30.52 H new ATOM 0 HB VAL A 83 -4.122 -3.850 5.704 1.00 2.44 H new ATOM 0 HG11 VAL A 83 -2.425 -5.429 6.568 1.00 12.00 H new ATOM 0 HG12 VAL A 83 -2.387 -5.320 4.792 1.00 12.00 H new ATOM 0 HG13 VAL A 83 -1.148 -4.487 5.761 1.00 12.00 H new ATOM 0 HG21 VAL A 83 -3.121 -3.493 7.928 1.00 70.53 H new ATOM 0 HG22 VAL A 83 -1.877 -2.453 7.194 1.00 70.53 H new ATOM 0 HG23 VAL A 83 -3.587 -1.961 7.153 1.00 70.53 H new ATOM 1289 N VAL A 84 -2.099 -3.503 2.424 1.00 10.50 N ATOM 1290 CA VAL A 84 -2.272 -4.181 1.126 1.00 32.44 C ATOM 1291 C VAL A 84 -1.263 -5.331 0.958 1.00 25.14 C ATOM 1292 O VAL A 84 -0.408 -5.549 1.817 1.00 43.13 O ATOM 1293 CB VAL A 84 -2.105 -3.188 -0.059 1.00 72.43 C ATOM 1294 CG1 VAL A 84 -3.178 -2.100 -0.023 1.00 25.32 C ATOM 1295 CG2 VAL A 84 -0.707 -2.569 -0.055 1.00 52.32 C ATOM 0 H VAL A 84 -1.147 -3.183 2.603 1.00 10.50 H new ATOM 0 HA VAL A 84 -3.284 -4.585 1.116 1.00 32.44 H new ATOM 0 HB VAL A 84 -2.228 -3.750 -0.985 1.00 72.43 H new ATOM 0 HG11 VAL A 84 -3.036 -1.421 -0.863 1.00 25.32 H new ATOM 0 HG12 VAL A 84 -4.164 -2.559 -0.091 1.00 25.32 H new ATOM 0 HG13 VAL A 84 -3.100 -1.543 0.911 1.00 25.32 H new ATOM 0 HG21 VAL A 84 -0.613 -1.878 -0.893 1.00 52.32 H new ATOM 0 HG22 VAL A 84 -0.550 -2.030 0.880 1.00 52.32 H new ATOM 0 HG23 VAL A 84 0.040 -3.357 -0.149 1.00 52.32 H new ATOM 1305 N PHE A 85 -1.373 -6.068 -0.146 1.00 12.13 N ATOM 1306 CA PHE A 85 -0.414 -7.137 -0.459 1.00 61.14 C ATOM 1307 C PHE A 85 0.904 -6.565 -1.014 1.00 4.11 C ATOM 1308 O PHE A 85 0.953 -5.435 -1.507 1.00 75.44 O ATOM 1309 CB PHE A 85 -1.021 -8.141 -1.453 1.00 64.31 C ATOM 1310 CG PHE A 85 -2.129 -8.983 -0.862 1.00 34.33 C ATOM 1311 CD1 PHE A 85 -1.834 -10.031 -0.001 1.00 0.24 C ATOM 1312 CD2 PHE A 85 -3.461 -8.730 -1.169 1.00 52.54 C ATOM 1313 CE1 PHE A 85 -2.841 -10.808 0.540 1.00 30.13 C ATOM 1314 CE2 PHE A 85 -4.471 -9.504 -0.628 1.00 23.12 C ATOM 1315 CZ PHE A 85 -4.161 -10.542 0.227 1.00 14.22 C ATOM 0 H PHE A 85 -2.112 -5.949 -0.839 1.00 12.13 H new ATOM 0 HA PHE A 85 -0.190 -7.659 0.471 1.00 61.14 H new ATOM 0 HB2 PHE A 85 -1.409 -7.597 -2.314 1.00 64.31 H new ATOM 0 HB3 PHE A 85 -0.233 -8.798 -1.820 1.00 64.31 H new ATOM 0 HD1 PHE A 85 -0.805 -10.242 0.249 1.00 0.24 H new ATOM 0 HD2 PHE A 85 -3.710 -7.919 -1.838 1.00 52.54 H new ATOM 0 HE1 PHE A 85 -2.597 -11.622 1.206 1.00 30.13 H new ATOM 0 HE2 PHE A 85 -5.502 -9.296 -0.874 1.00 23.12 H new ATOM 0 HZ PHE A 85 -4.949 -11.146 0.651 1.00 14.22 H new ATOM 1325 N ALA A 86 1.962 -7.368 -0.951 1.00 24.13 N ATOM 1326 CA ALA A 86 3.308 -6.916 -1.310 1.00 60.45 C ATOM 1327 C ALA A 86 3.729 -7.427 -2.698 1.00 21.30 C ATOM 1328 O ALA A 86 3.680 -8.627 -2.980 1.00 11.10 O ATOM 1329 CB ALA A 86 4.307 -7.361 -0.247 1.00 33.02 C ATOM 0 H ALA A 86 1.915 -8.342 -0.653 1.00 24.13 H new ATOM 0 HA ALA A 86 3.297 -5.827 -1.356 1.00 60.45 H new ATOM 0 HB1 ALA A 86 5.306 -7.021 -0.521 1.00 33.02 H new ATOM 0 HB2 ALA A 86 4.029 -6.932 0.716 1.00 33.02 H new ATOM 0 HB3 ALA A 86 4.301 -8.449 -0.175 1.00 33.02 H new ATOM 1335 N LYS A 87 4.155 -6.502 -3.552 1.00 35.23 N ATOM 1336 CA LYS A 87 4.567 -6.821 -4.921 1.00 14.04 C ATOM 1337 C LYS A 87 5.912 -6.187 -5.252 1.00 55.32 C ATOM 1338 O LYS A 87 6.122 -5.000 -5.035 1.00 31.33 O ATOM 1339 CB LYS A 87 3.484 -6.338 -5.902 1.00 14.23 C ATOM 1340 CG LYS A 87 2.730 -7.461 -6.615 1.00 23.25 C ATOM 1341 CD LYS A 87 3.155 -7.585 -8.081 1.00 14.21 C ATOM 1342 CE LYS A 87 3.015 -6.259 -8.825 1.00 53.31 C ATOM 1343 NZ LYS A 87 3.517 -6.326 -10.224 1.00 53.11 N ATOM 0 H LYS A 87 4.226 -5.512 -3.319 1.00 35.23 H new ATOM 0 HA LYS A 87 4.683 -7.901 -5.012 1.00 14.04 H new ATOM 0 HB2 LYS A 87 2.766 -5.724 -5.358 1.00 14.23 H new ATOM 0 HB3 LYS A 87 3.949 -5.697 -6.651 1.00 14.23 H new ATOM 0 HG2 LYS A 87 2.913 -8.405 -6.102 1.00 23.25 H new ATOM 0 HG3 LYS A 87 1.658 -7.271 -6.561 1.00 23.25 H new ATOM 0 HD2 LYS A 87 4.190 -7.923 -8.132 1.00 14.21 H new ATOM 0 HD3 LYS A 87 2.547 -8.344 -8.573 1.00 14.21 H new ATOM 0 HE2 LYS A 87 1.966 -5.962 -8.834 1.00 53.31 H new ATOM 0 HE3 LYS A 87 3.561 -5.485 -8.285 1.00 53.31 H new ATOM 0 HZ1 LYS A 87 3.921 -5.406 -10.492 1.00 53.11 H new ATOM 0 HZ2 LYS A 87 4.250 -7.060 -10.295 1.00 53.11 H new ATOM 0 HZ3 LYS A 87 2.731 -6.558 -10.864 1.00 53.11 H new ATOM 1357 N LYS A 88 6.822 -6.994 -5.772 1.00 54.14 N ATOM 1358 CA LYS A 88 8.163 -6.531 -6.075 1.00 73.10 C ATOM 1359 C LYS A 88 8.188 -5.762 -7.405 1.00 63.12 C ATOM 1360 O LYS A 88 8.219 -6.356 -8.487 1.00 31.42 O ATOM 1361 CB LYS A 88 9.124 -7.724 -6.106 1.00 43.32 C ATOM 1362 CG LYS A 88 10.577 -7.303 -6.133 1.00 62.53 C ATOM 1363 CD LYS A 88 11.530 -8.493 -6.041 1.00 13.23 C ATOM 1364 CE LYS A 88 11.384 -9.235 -4.716 1.00 4.31 C ATOM 1365 NZ LYS A 88 12.284 -10.415 -4.632 1.00 25.45 N ATOM 0 H LYS A 88 6.654 -7.976 -5.993 1.00 54.14 H new ATOM 0 HA LYS A 88 8.487 -5.842 -5.295 1.00 73.10 H new ATOM 0 HB2 LYS A 88 8.948 -8.350 -5.231 1.00 43.32 H new ATOM 0 HB3 LYS A 88 8.911 -8.335 -6.983 1.00 43.32 H new ATOM 0 HG2 LYS A 88 10.776 -6.752 -7.052 1.00 62.53 H new ATOM 0 HG3 LYS A 88 10.770 -6.621 -5.305 1.00 62.53 H new ATOM 0 HD2 LYS A 88 11.335 -9.179 -6.865 1.00 13.23 H new ATOM 0 HD3 LYS A 88 12.557 -8.145 -6.152 1.00 13.23 H new ATOM 0 HE2 LYS A 88 11.603 -8.554 -3.894 1.00 4.31 H new ATOM 0 HE3 LYS A 88 10.350 -9.559 -4.595 1.00 4.31 H new ATOM 0 HZ1 LYS A 88 12.151 -10.888 -3.716 1.00 25.45 H new ATOM 0 HZ2 LYS A 88 12.059 -11.079 -5.400 1.00 25.45 H new ATOM 0 HZ3 LYS A 88 13.273 -10.105 -4.721 1.00 25.45 H new ATOM 1379 N GLY A 89 8.157 -4.436 -7.312 1.00 34.15 N ATOM 1380 CA GLY A 89 8.038 -3.598 -8.499 1.00 45.43 C ATOM 1381 C GLY A 89 9.370 -3.071 -9.023 1.00 43.14 C ATOM 1382 O GLY A 89 10.368 -3.038 -8.307 1.00 32.05 O ATOM 0 H GLY A 89 8.212 -3.922 -6.433 1.00 34.15 H new ATOM 0 HA2 GLY A 89 7.550 -4.170 -9.288 1.00 45.43 H new ATOM 0 HA3 GLY A 89 7.389 -2.753 -8.271 1.00 45.43 H new ATOM 1386 N ASP A 90 9.370 -2.648 -10.284 1.00 13.32 N ATOM 1387 CA ASP A 90 10.558 -2.069 -10.923 1.00 34.45 C ATOM 1388 C ASP A 90 10.647 -0.549 -10.682 1.00 62.11 C ATOM 1389 O ASP A 90 11.404 0.164 -11.348 1.00 55.53 O ATOM 1390 CB ASP A 90 10.534 -2.387 -12.425 1.00 22.12 C ATOM 1391 CG ASP A 90 9.222 -1.997 -13.088 1.00 1.42 C ATOM 1392 OD1 ASP A 90 8.203 -2.689 -12.857 1.00 14.14 O ATOM 1393 OD2 ASP A 90 9.203 -1.008 -13.852 1.00 15.01 O ATOM 0 H ASP A 90 8.553 -2.694 -10.893 1.00 13.32 H new ATOM 0 HA ASP A 90 11.446 -2.514 -10.475 1.00 34.45 H new ATOM 0 HB2 ASP A 90 11.354 -1.863 -12.916 1.00 22.12 H new ATOM 0 HB3 ASP A 90 10.706 -3.454 -12.569 1.00 22.12 H new ATOM 1398 N VAL A 91 9.867 -0.072 -9.717 1.00 30.22 N ATOM 1399 CA VAL A 91 9.871 1.340 -9.313 1.00 15.32 C ATOM 1400 C VAL A 91 11.169 1.708 -8.562 1.00 54.13 C ATOM 1401 O VAL A 91 11.837 0.834 -8.013 1.00 71.24 O ATOM 1402 CB VAL A 91 8.646 1.652 -8.414 1.00 63.20 C ATOM 1403 CG1 VAL A 91 7.343 1.439 -9.186 1.00 74.20 C ATOM 1404 CG2 VAL A 91 8.667 0.793 -7.146 1.00 4.33 C ATOM 0 H VAL A 91 9.212 -0.649 -9.190 1.00 30.22 H new ATOM 0 HA VAL A 91 9.816 1.940 -10.222 1.00 15.32 H new ATOM 0 HB VAL A 91 8.702 2.699 -8.116 1.00 63.20 H new ATOM 0 HG11 VAL A 91 6.495 1.663 -8.538 1.00 74.20 H new ATOM 0 HG12 VAL A 91 7.322 2.099 -10.053 1.00 74.20 H new ATOM 0 HG13 VAL A 91 7.282 0.403 -9.518 1.00 74.20 H new ATOM 0 HG21 VAL A 91 7.798 1.030 -6.532 1.00 4.33 H new ATOM 0 HG22 VAL A 91 8.641 -0.262 -7.420 1.00 4.33 H new ATOM 0 HG23 VAL A 91 9.577 0.999 -6.582 1.00 4.33 H new ATOM 1414 N PRO A 92 11.547 3.007 -8.533 1.00 22.51 N ATOM 1415 CA PRO A 92 12.794 3.463 -7.880 1.00 2.45 C ATOM 1416 C PRO A 92 12.842 3.176 -6.364 1.00 44.32 C ATOM 1417 O PRO A 92 11.807 3.014 -5.715 1.00 70.31 O ATOM 1418 CB PRO A 92 12.805 4.982 -8.138 1.00 2.54 C ATOM 1419 CG PRO A 92 11.869 5.184 -9.284 1.00 5.11 C ATOM 1420 CD PRO A 92 10.806 4.132 -9.132 1.00 22.03 C ATOM 0 HA PRO A 92 13.659 2.934 -8.281 1.00 2.45 H new ATOM 0 HB2 PRO A 92 12.477 5.535 -7.258 1.00 2.54 H new ATOM 0 HB3 PRO A 92 13.808 5.334 -8.380 1.00 2.54 H new ATOM 0 HG2 PRO A 92 11.436 6.184 -9.264 1.00 5.11 H new ATOM 0 HG3 PRO A 92 12.389 5.081 -10.237 1.00 5.11 H new ATOM 0 HD2 PRO A 92 9.992 4.469 -8.490 1.00 22.03 H new ATOM 0 HD3 PRO A 92 10.364 3.861 -10.091 1.00 22.03 H new ATOM 1428 N LYS A 93 14.056 3.125 -5.810 1.00 24.11 N ATOM 1429 CA LYS A 93 14.253 2.883 -4.373 1.00 44.42 C ATOM 1430 C LYS A 93 13.628 4.005 -3.525 1.00 35.44 C ATOM 1431 O LYS A 93 13.637 5.171 -3.923 1.00 71.04 O ATOM 1432 CB LYS A 93 15.753 2.759 -4.068 1.00 42.34 C ATOM 1433 CG LYS A 93 16.069 2.311 -2.644 1.00 74.44 C ATOM 1434 CD LYS A 93 17.564 2.082 -2.442 1.00 72.31 C ATOM 1435 CE LYS A 93 17.873 1.498 -1.068 1.00 4.51 C ATOM 1436 NZ LYS A 93 19.326 1.230 -0.897 1.00 43.43 N ATOM 0 H LYS A 93 14.922 3.248 -6.335 1.00 24.11 H new ATOM 0 HA LYS A 93 13.752 1.951 -4.112 1.00 44.42 H new ATOM 0 HB2 LYS A 93 16.196 2.049 -4.767 1.00 42.34 H new ATOM 0 HB3 LYS A 93 16.229 3.723 -4.247 1.00 42.34 H new ATOM 0 HG2 LYS A 93 15.718 3.065 -1.939 1.00 74.44 H new ATOM 0 HG3 LYS A 93 15.527 1.391 -2.423 1.00 74.44 H new ATOM 0 HD2 LYS A 93 17.935 1.408 -3.214 1.00 72.31 H new ATOM 0 HD3 LYS A 93 18.095 3.026 -2.562 1.00 72.31 H new ATOM 0 HE2 LYS A 93 17.537 2.189 -0.295 1.00 4.51 H new ATOM 0 HE3 LYS A 93 17.314 0.572 -0.932 1.00 4.51 H new ATOM 0 HZ1 LYS A 93 19.497 0.834 0.049 1.00 43.43 H new ATOM 0 HZ2 LYS A 93 19.641 0.551 -1.619 1.00 43.43 H new ATOM 0 HZ3 LYS A 93 19.857 2.118 -1.002 1.00 43.43 H new ATOM 1450 N GLY A 94 13.100 3.652 -2.349 1.00 22.42 N ATOM 1451 CA GLY A 94 12.388 4.626 -1.525 1.00 64.12 C ATOM 1452 C GLY A 94 11.146 5.188 -2.216 1.00 72.52 C ATOM 1453 O GLY A 94 10.772 6.349 -2.013 1.00 12.22 O ATOM 0 H GLY A 94 13.152 2.713 -1.953 1.00 22.42 H new ATOM 0 HA2 GLY A 94 12.095 4.156 -0.586 1.00 64.12 H new ATOM 0 HA3 GLY A 94 13.062 5.446 -1.275 1.00 64.12 H new ATOM 1457 N MET A 95 10.504 4.362 -3.036 1.00 42.24 N ATOM 1458 CA MET A 95 9.346 4.780 -3.820 1.00 12.45 C ATOM 1459 C MET A 95 8.452 3.565 -4.134 1.00 1.35 C ATOM 1460 O MET A 95 8.956 2.495 -4.477 1.00 35.24 O ATOM 1461 CB MET A 95 9.860 5.431 -5.109 1.00 63.43 C ATOM 1462 CG MET A 95 8.814 6.175 -5.909 1.00 11.53 C ATOM 1463 SD MET A 95 9.551 7.060 -7.302 1.00 21.23 S ATOM 1464 CE MET A 95 8.175 8.055 -7.859 1.00 35.33 C ATOM 0 H MET A 95 10.770 3.387 -3.176 1.00 42.24 H new ATOM 0 HA MET A 95 8.742 5.495 -3.261 1.00 12.45 H new ATOM 0 HB2 MET A 95 10.662 6.124 -4.854 1.00 63.43 H new ATOM 0 HB3 MET A 95 10.296 4.657 -5.740 1.00 63.43 H new ATOM 0 HG2 MET A 95 8.068 5.471 -6.278 1.00 11.53 H new ATOM 0 HG3 MET A 95 8.294 6.881 -5.262 1.00 11.53 H new ATOM 0 HE1 MET A 95 7.812 7.673 -8.813 1.00 35.33 H new ATOM 0 HE2 MET A 95 7.373 8.012 -7.122 1.00 35.33 H new ATOM 0 HE3 MET A 95 8.499 9.088 -7.982 1.00 35.33 H new ATOM 1474 N ILE A 96 7.132 3.719 -4.004 1.00 13.45 N ATOM 1475 CA ILE A 96 6.201 2.598 -4.237 1.00 3.02 C ATOM 1476 C ILE A 96 4.994 3.019 -5.092 1.00 72.43 C ATOM 1477 O ILE A 96 4.564 4.172 -5.067 1.00 52.22 O ATOM 1478 CB ILE A 96 5.684 1.979 -2.907 1.00 22.53 C ATOM 1479 CG1 ILE A 96 4.851 2.995 -2.107 1.00 45.45 C ATOM 1480 CG2 ILE A 96 6.848 1.453 -2.064 1.00 41.45 C ATOM 1481 CD1 ILE A 96 4.219 2.415 -0.858 1.00 31.35 C ATOM 0 H ILE A 96 6.682 4.596 -3.742 1.00 13.45 H new ATOM 0 HA ILE A 96 6.776 1.846 -4.778 1.00 3.02 H new ATOM 0 HB ILE A 96 5.036 1.140 -3.160 1.00 22.53 H new ATOM 0 HG12 ILE A 96 5.489 3.833 -1.825 1.00 45.45 H new ATOM 0 HG13 ILE A 96 4.066 3.394 -2.749 1.00 45.45 H new ATOM 0 HG21 ILE A 96 6.463 1.025 -1.139 1.00 41.45 H new ATOM 0 HG22 ILE A 96 7.385 0.686 -2.623 1.00 41.45 H new ATOM 0 HG23 ILE A 96 7.527 2.273 -1.829 1.00 41.45 H new ATOM 0 HD11 ILE A 96 3.648 3.189 -0.346 1.00 31.35 H new ATOM 0 HD12 ILE A 96 3.555 1.596 -1.133 1.00 31.35 H new ATOM 0 HD13 ILE A 96 5.000 2.042 -0.195 1.00 31.35 H new ATOM 1493 N PHE A 97 4.450 2.067 -5.840 1.00 44.43 N ATOM 1494 CA PHE A 97 3.300 2.319 -6.715 1.00 21.35 C ATOM 1495 C PHE A 97 2.045 1.588 -6.210 1.00 4.11 C ATOM 1496 O PHE A 97 2.092 0.397 -5.907 1.00 1.43 O ATOM 1497 CB PHE A 97 3.633 1.859 -8.143 1.00 54.42 C ATOM 1498 CG PHE A 97 2.524 2.085 -9.144 1.00 61.02 C ATOM 1499 CD1 PHE A 97 1.531 1.132 -9.331 1.00 24.32 C ATOM 1500 CD2 PHE A 97 2.479 3.249 -9.900 1.00 35.13 C ATOM 1501 CE1 PHE A 97 0.518 1.335 -10.247 1.00 50.12 C ATOM 1502 CE2 PHE A 97 1.468 3.455 -10.819 1.00 52.20 C ATOM 1503 CZ PHE A 97 0.488 2.496 -10.992 1.00 32.41 C ATOM 0 H PHE A 97 4.786 1.104 -5.861 1.00 44.43 H new ATOM 0 HA PHE A 97 3.091 3.389 -6.710 1.00 21.35 H new ATOM 0 HB2 PHE A 97 4.526 2.385 -8.483 1.00 54.42 H new ATOM 0 HB3 PHE A 97 3.877 0.797 -8.122 1.00 54.42 H new ATOM 0 HD1 PHE A 97 1.552 0.220 -8.752 1.00 24.32 H new ATOM 0 HD2 PHE A 97 3.243 4.001 -9.768 1.00 35.13 H new ATOM 0 HE1 PHE A 97 -0.249 0.587 -10.380 1.00 50.12 H new ATOM 0 HE2 PHE A 97 1.444 4.364 -11.401 1.00 52.20 H new ATOM 0 HZ PHE A 97 -0.302 2.655 -11.711 1.00 32.41 H new ATOM 1513 N ILE A 98 0.926 2.310 -6.116 1.00 44.23 N ATOM 1514 CA ILE A 98 -0.367 1.707 -5.744 1.00 55.10 C ATOM 1515 C ILE A 98 -1.476 2.121 -6.735 1.00 53.21 C ATOM 1516 O ILE A 98 -1.646 3.306 -7.025 1.00 73.50 O ATOM 1517 CB ILE A 98 -0.798 2.108 -4.303 1.00 14.12 C ATOM 1518 CG1 ILE A 98 0.268 1.673 -3.281 1.00 0.42 C ATOM 1519 CG2 ILE A 98 -2.158 1.503 -3.951 1.00 74.11 C ATOM 1520 CD1 ILE A 98 -0.101 1.965 -1.838 1.00 51.14 C ATOM 0 H ILE A 98 0.884 3.314 -6.291 1.00 44.23 H new ATOM 0 HA ILE A 98 -0.230 0.626 -5.780 1.00 55.10 H new ATOM 0 HB ILE A 98 -0.891 3.193 -4.266 1.00 14.12 H new ATOM 0 HG12 ILE A 98 0.445 0.603 -3.390 1.00 0.42 H new ATOM 0 HG13 ILE A 98 1.206 2.177 -3.514 1.00 0.42 H new ATOM 0 HG21 ILE A 98 -2.437 1.798 -2.939 1.00 74.11 H new ATOM 0 HG22 ILE A 98 -2.909 1.863 -4.654 1.00 74.11 H new ATOM 0 HG23 ILE A 98 -2.099 0.416 -4.009 1.00 74.11 H new ATOM 0 HD11 ILE A 98 0.702 1.628 -1.182 1.00 51.14 H new ATOM 0 HD12 ILE A 98 -0.249 3.037 -1.710 1.00 51.14 H new ATOM 0 HD13 ILE A 98 -1.021 1.439 -1.584 1.00 51.14 H new ATOM 1532 N PRO A 99 -2.232 1.151 -7.290 1.00 53.51 N ATOM 1533 CA PRO A 99 -3.372 1.452 -8.183 1.00 22.24 C ATOM 1534 C PRO A 99 -4.423 2.372 -7.526 1.00 43.43 C ATOM 1535 O PRO A 99 -4.724 2.238 -6.336 1.00 50.14 O ATOM 1536 CB PRO A 99 -3.966 0.062 -8.476 1.00 70.23 C ATOM 1537 CG PRO A 99 -2.843 -0.892 -8.241 1.00 61.51 C ATOM 1538 CD PRO A 99 -2.034 -0.302 -7.116 1.00 72.25 C ATOM 0 HA PRO A 99 -3.058 1.994 -9.075 1.00 22.24 H new ATOM 0 HB2 PRO A 99 -4.811 -0.153 -7.821 1.00 70.23 H new ATOM 0 HB3 PRO A 99 -4.332 -0.003 -9.501 1.00 70.23 H new ATOM 0 HG2 PRO A 99 -3.218 -1.881 -7.976 1.00 61.51 H new ATOM 0 HG3 PRO A 99 -2.236 -1.011 -9.139 1.00 61.51 H new ATOM 0 HD2 PRO A 99 -2.387 -0.644 -6.143 1.00 72.25 H new ATOM 0 HD3 PRO A 99 -0.982 -0.577 -7.188 1.00 72.25 H new ATOM 1546 N MET A 100 -4.976 3.311 -8.300 1.00 75.00 N ATOM 1547 CA MET A 100 -5.966 4.263 -7.778 1.00 50.13 C ATOM 1548 C MET A 100 -7.199 3.526 -7.237 1.00 72.40 C ATOM 1549 O MET A 100 -8.019 3.013 -7.999 1.00 51.11 O ATOM 1550 CB MET A 100 -6.387 5.254 -8.876 1.00 54.24 C ATOM 1551 CG MET A 100 -6.976 6.572 -8.369 1.00 42.31 C ATOM 1552 SD MET A 100 -8.303 6.367 -7.161 1.00 40.11 S ATOM 1553 CE MET A 100 -7.411 6.572 -5.619 1.00 74.22 C ATOM 0 H MET A 100 -4.757 3.434 -9.289 1.00 75.00 H new ATOM 0 HA MET A 100 -5.505 4.816 -6.959 1.00 50.13 H new ATOM 0 HB2 MET A 100 -5.518 5.477 -9.496 1.00 54.24 H new ATOM 0 HB3 MET A 100 -7.121 4.769 -9.519 1.00 54.24 H new ATOM 0 HG2 MET A 100 -6.179 7.166 -7.921 1.00 42.31 H new ATOM 0 HG3 MET A 100 -7.356 7.139 -9.219 1.00 42.31 H new ATOM 0 HE1 MET A 100 -7.692 5.777 -4.928 1.00 74.22 H new ATOM 0 HE2 MET A 100 -6.339 6.525 -5.810 1.00 74.22 H new ATOM 0 HE3 MET A 100 -7.660 7.538 -5.181 1.00 74.22 H new ATOM 1563 N GLY A 101 -7.315 3.471 -5.915 1.00 63.32 N ATOM 1564 CA GLY A 101 -8.457 2.808 -5.292 1.00 1.12 C ATOM 1565 C GLY A 101 -8.706 3.287 -3.873 1.00 71.53 C ATOM 1566 O GLY A 101 -8.024 4.198 -3.402 1.00 70.23 O ATOM 0 H GLY A 101 -6.643 3.871 -5.260 1.00 63.32 H new ATOM 0 HA2 GLY A 101 -9.348 2.986 -5.893 1.00 1.12 H new ATOM 0 HA3 GLY A 101 -8.288 1.731 -5.284 1.00 1.12 H new ATOM 1570 N PRO A 102 -9.664 2.678 -3.145 1.00 35.54 N ATOM 1571 CA PRO A 102 -9.973 3.077 -1.758 1.00 53.24 C ATOM 1572 C PRO A 102 -8.763 2.881 -0.831 1.00 23.31 C ATOM 1573 O PRO A 102 -8.607 3.573 0.171 1.00 22.24 O ATOM 1574 CB PRO A 102 -11.134 2.147 -1.363 1.00 32.53 C ATOM 1575 CG PRO A 102 -11.057 0.998 -2.315 1.00 14.13 C ATOM 1576 CD PRO A 102 -10.510 1.559 -3.601 1.00 21.10 C ATOM 0 HA PRO A 102 -10.228 4.133 -1.674 1.00 53.24 H new ATOM 0 HB2 PRO A 102 -11.035 1.811 -0.331 1.00 32.53 H new ATOM 0 HB3 PRO A 102 -12.093 2.659 -1.441 1.00 32.53 H new ATOM 0 HG2 PRO A 102 -10.410 0.212 -1.926 1.00 14.13 H new ATOM 0 HG3 PRO A 102 -12.040 0.554 -2.470 1.00 14.13 H new ATOM 0 HD2 PRO A 102 -9.933 0.816 -4.152 1.00 21.10 H new ATOM 0 HD3 PRO A 102 -11.306 1.899 -4.263 1.00 21.10 H new ATOM 1584 N TYR A 103 -7.899 1.938 -1.205 1.00 74.15 N ATOM 1585 CA TYR A 103 -6.666 1.657 -0.468 1.00 24.22 C ATOM 1586 C TYR A 103 -5.673 2.813 -0.610 1.00 32.23 C ATOM 1587 O TYR A 103 -5.185 3.354 0.381 1.00 30.14 O ATOM 1588 CB TYR A 103 -6.043 0.353 -0.982 1.00 33.13 C ATOM 1589 CG TYR A 103 -6.953 -0.853 -0.824 1.00 14.51 C ATOM 1590 CD1 TYR A 103 -8.162 -0.927 -1.509 1.00 34.34 C ATOM 1591 CD2 TYR A 103 -6.615 -1.905 0.016 1.00 54.43 C ATOM 1592 CE1 TYR A 103 -9.001 -2.010 -1.363 1.00 53.20 C ATOM 1593 CE2 TYR A 103 -7.449 -2.994 0.167 1.00 31.15 C ATOM 1594 CZ TYR A 103 -8.643 -3.041 -0.526 1.00 34.31 C ATOM 1595 OH TYR A 103 -9.480 -4.125 -0.388 1.00 25.23 O ATOM 0 H TYR A 103 -8.033 1.348 -2.026 1.00 74.15 H new ATOM 0 HA TYR A 103 -6.907 1.547 0.589 1.00 24.22 H new ATOM 0 HB2 TYR A 103 -5.788 0.471 -2.035 1.00 33.13 H new ATOM 0 HB3 TYR A 103 -5.111 0.169 -0.447 1.00 33.13 H new ATOM 0 HD1 TYR A 103 -8.448 -0.120 -2.168 1.00 34.34 H new ATOM 0 HD2 TYR A 103 -5.683 -1.871 0.561 1.00 54.43 H new ATOM 0 HE1 TYR A 103 -9.935 -2.049 -1.903 1.00 53.20 H new ATOM 0 HE2 TYR A 103 -7.170 -3.805 0.823 1.00 31.15 H new ATOM 0 HH TYR A 103 -9.366 -4.515 0.504 1.00 25.23 H new ATOM 1605 N ALA A 104 -5.385 3.192 -1.851 1.00 12.12 N ATOM 1606 CA ALA A 104 -4.549 4.360 -2.117 1.00 43.52 C ATOM 1607 C ALA A 104 -5.182 5.628 -1.526 1.00 34.22 C ATOM 1608 O ALA A 104 -4.496 6.470 -0.961 1.00 14.34 O ATOM 1609 CB ALA A 104 -4.331 4.525 -3.617 1.00 31.34 C ATOM 0 H ALA A 104 -5.716 2.710 -2.687 1.00 12.12 H new ATOM 0 HA ALA A 104 -3.582 4.206 -1.638 1.00 43.52 H new ATOM 0 HB1 ALA A 104 -3.706 5.399 -3.800 1.00 31.34 H new ATOM 0 HB2 ALA A 104 -3.838 3.637 -4.013 1.00 31.34 H new ATOM 0 HB3 ALA A 104 -5.293 4.656 -4.112 1.00 31.34 H new ATOM 1615 N ASN A 105 -6.505 5.736 -1.642 1.00 63.34 N ATOM 1616 CA ASN A 105 -7.262 6.880 -1.115 1.00 30.14 C ATOM 1617 C ASN A 105 -6.993 7.110 0.388 1.00 31.52 C ATOM 1618 O ASN A 105 -7.117 8.225 0.889 1.00 70.25 O ATOM 1619 CB ASN A 105 -8.757 6.648 -1.379 1.00 10.01 C ATOM 1620 CG ASN A 105 -9.656 7.666 -0.708 1.00 20.30 C ATOM 1621 OD1 ASN A 105 -9.922 8.735 -1.246 1.00 34.33 O ATOM 1622 ND2 ASN A 105 -10.149 7.330 0.464 1.00 20.35 N ATOM 0 H ASN A 105 -7.086 5.035 -2.103 1.00 63.34 H new ATOM 0 HA ASN A 105 -6.933 7.784 -1.628 1.00 30.14 H new ATOM 0 HB2 ASN A 105 -8.935 6.671 -2.454 1.00 10.01 H new ATOM 0 HB3 ASN A 105 -9.028 5.651 -1.032 1.00 10.01 H new ATOM 0 HD21 ASN A 105 -10.775 7.968 0.956 1.00 20.35 H new ATOM 0 HD22 ASN A 105 -9.905 6.432 0.881 1.00 20.35 H new ATOM 1629 N MET A 106 -6.614 6.046 1.094 1.00 12.12 N ATOM 1630 CA MET A 106 -6.279 6.138 2.521 1.00 42.02 C ATOM 1631 C MET A 106 -5.000 6.955 2.759 1.00 42.32 C ATOM 1632 O MET A 106 -4.852 7.609 3.793 1.00 42.33 O ATOM 1633 CB MET A 106 -6.087 4.733 3.105 1.00 24.14 C ATOM 1634 CG MET A 106 -7.324 3.859 3.008 1.00 12.34 C ATOM 1635 SD MET A 106 -8.633 4.390 4.126 1.00 41.13 S ATOM 1636 CE MET A 106 -8.007 3.788 5.692 1.00 73.04 C ATOM 0 H MET A 106 -6.530 5.107 0.704 1.00 12.12 H new ATOM 0 HA MET A 106 -7.107 6.645 3.016 1.00 42.02 H new ATOM 0 HB2 MET A 106 -5.264 4.242 2.585 1.00 24.14 H new ATOM 0 HB3 MET A 106 -5.796 4.821 4.152 1.00 24.14 H new ATOM 0 HG2 MET A 106 -7.697 3.875 1.984 1.00 12.34 H new ATOM 0 HG3 MET A 106 -7.055 2.827 3.233 1.00 12.34 H new ATOM 0 HE1 MET A 106 -8.812 3.780 6.427 1.00 73.04 H new ATOM 0 HE2 MET A 106 -7.622 2.776 5.565 1.00 73.04 H new ATOM 0 HE3 MET A 106 -7.206 4.441 6.039 1.00 73.04 H new ATOM 1646 N VAL A 107 -4.084 6.922 1.790 1.00 4.44 N ATOM 1647 CA VAL A 107 -2.743 7.497 1.969 1.00 34.44 C ATOM 1648 C VAL A 107 -2.406 8.583 0.932 1.00 42.41 C ATOM 1649 O VAL A 107 -1.443 9.332 1.104 1.00 34.54 O ATOM 1650 CB VAL A 107 -1.659 6.389 1.913 1.00 33.12 C ATOM 1651 CG1 VAL A 107 -1.835 5.402 3.066 1.00 54.52 C ATOM 1652 CG2 VAL A 107 -1.691 5.664 0.566 1.00 0.02 C ATOM 0 H VAL A 107 -4.243 6.504 0.873 1.00 4.44 H new ATOM 0 HA VAL A 107 -2.750 7.969 2.951 1.00 34.44 H new ATOM 0 HB VAL A 107 -0.683 6.863 2.018 1.00 33.12 H new ATOM 0 HG11 VAL A 107 -1.064 4.633 3.008 1.00 54.52 H new ATOM 0 HG12 VAL A 107 -1.748 5.932 4.015 1.00 54.52 H new ATOM 0 HG13 VAL A 107 -2.818 4.936 2.999 1.00 54.52 H new ATOM 0 HG21 VAL A 107 -0.922 4.892 0.550 1.00 0.02 H new ATOM 0 HG22 VAL A 107 -2.669 5.205 0.423 1.00 0.02 H new ATOM 0 HG23 VAL A 107 -1.504 6.378 -0.236 1.00 0.02 H new ATOM 1662 N ILE A 108 -3.189 8.678 -0.137 1.00 12.14 N ATOM 1663 CA ILE A 108 -2.922 9.661 -1.194 1.00 52.42 C ATOM 1664 C ILE A 108 -3.865 10.873 -1.097 1.00 1.51 C ATOM 1665 O ILE A 108 -4.709 10.953 -0.206 1.00 62.05 O ATOM 1666 CB ILE A 108 -3.056 9.050 -2.611 1.00 11.20 C ATOM 1667 CG1 ILE A 108 -4.528 8.889 -3.001 1.00 42.42 C ATOM 1668 CG2 ILE A 108 -2.331 7.706 -2.715 1.00 2.53 C ATOM 1669 CD1 ILE A 108 -4.700 8.642 -4.469 1.00 0.44 C ATOM 0 H ILE A 108 -4.009 8.094 -0.299 1.00 12.14 H new ATOM 0 HA ILE A 108 -1.892 9.984 -1.040 1.00 52.42 H new ATOM 0 HB ILE A 108 -2.584 9.743 -3.308 1.00 11.20 H new ATOM 0 HG12 ILE A 108 -4.962 8.060 -2.441 1.00 42.42 H new ATOM 0 HG13 ILE A 108 -5.077 9.787 -2.718 1.00 42.42 H new ATOM 0 HG21 ILE A 108 -2.447 7.307 -3.723 1.00 2.53 H new ATOM 0 HG22 ILE A 108 -1.272 7.846 -2.500 1.00 2.53 H new ATOM 0 HG23 ILE A 108 -2.758 7.006 -1.997 1.00 2.53 H new ATOM 0 HD11 ILE A 108 -5.760 8.534 -4.698 1.00 0.44 H new ATOM 0 HD12 ILE A 108 -4.291 9.483 -5.030 1.00 0.44 H new ATOM 0 HD13 ILE A 108 -4.174 7.729 -4.748 1.00 0.44 H new ATOM 1681 N ASP A 109 -3.712 11.810 -2.031 1.00 25.32 N ATOM 1682 CA ASP A 109 -4.628 12.947 -2.157 1.00 33.02 C ATOM 1683 C ASP A 109 -5.489 12.808 -3.430 1.00 3.11 C ATOM 1684 O ASP A 109 -5.031 13.110 -4.532 1.00 33.43 O ATOM 1685 CB ASP A 109 -3.837 14.261 -2.183 1.00 14.30 C ATOM 1686 CG ASP A 109 -4.720 15.478 -2.418 1.00 33.23 C ATOM 1687 OD1 ASP A 109 -5.706 15.663 -1.673 1.00 23.45 O ATOM 1688 OD2 ASP A 109 -4.430 16.256 -3.354 1.00 31.10 O ATOM 0 H ASP A 109 -2.957 11.805 -2.717 1.00 25.32 H new ATOM 0 HA ASP A 109 -5.293 12.958 -1.294 1.00 33.02 H new ATOM 0 HB2 ASP A 109 -3.307 14.379 -1.238 1.00 14.30 H new ATOM 0 HB3 ASP A 109 -3.082 14.209 -2.967 1.00 14.30 H new ATOM 1862 N GLY A 122 4.217 10.597 -6.606 1.00 0.03 N ATOM 1863 CA GLY A 122 2.979 10.443 -5.855 1.00 35.31 C ATOM 1864 C GLY A 122 3.023 11.111 -4.488 1.00 10.44 C ATOM 1865 O GLY A 122 3.803 12.038 -4.260 1.00 63.51 O ATOM 0 HA2 GLY A 122 2.156 10.864 -6.432 1.00 35.31 H new ATOM 0 HA3 GLY A 122 2.768 9.381 -5.727 1.00 35.31 H new ATOM 1869 N VAL A 123 2.182 10.640 -3.579 1.00 21.25 N ATOM 1870 CA VAL A 123 2.133 11.177 -2.214 1.00 32.11 C ATOM 1871 C VAL A 123 3.175 10.506 -1.308 1.00 71.31 C ATOM 1872 O VAL A 123 3.136 9.298 -1.088 1.00 5.23 O ATOM 1873 CB VAL A 123 0.731 11.000 -1.594 1.00 22.40 C ATOM 1874 CG1 VAL A 123 0.681 11.567 -0.174 1.00 62.03 C ATOM 1875 CG2 VAL A 123 -0.331 11.648 -2.483 1.00 31.22 C ATOM 0 H VAL A 123 1.520 9.885 -3.756 1.00 21.25 H new ATOM 0 HA VAL A 123 2.361 12.241 -2.286 1.00 32.11 H new ATOM 0 HB VAL A 123 0.518 9.933 -1.529 1.00 22.40 H new ATOM 0 HG11 VAL A 123 -0.319 11.429 0.238 1.00 62.03 H new ATOM 0 HG12 VAL A 123 1.407 11.047 0.451 1.00 62.03 H new ATOM 0 HG13 VAL A 123 0.919 12.630 -0.198 1.00 62.03 H new ATOM 0 HG21 VAL A 123 -1.314 11.514 -2.032 1.00 31.22 H new ATOM 0 HG22 VAL A 123 -0.120 12.713 -2.585 1.00 31.22 H new ATOM 0 HG23 VAL A 123 -0.317 11.180 -3.467 1.00 31.22 H new ATOM 1885 N LYS A 124 4.098 11.300 -0.773 1.00 65.24 N ATOM 1886 CA LYS A 124 5.189 10.775 0.066 1.00 41.41 C ATOM 1887 C LYS A 124 4.679 10.211 1.405 1.00 1.12 C ATOM 1888 O LYS A 124 3.687 10.685 1.962 1.00 1.34 O ATOM 1889 CB LYS A 124 6.240 11.866 0.326 1.00 61.40 C ATOM 1890 CG LYS A 124 6.921 12.379 -0.940 1.00 10.44 C ATOM 1891 CD LYS A 124 7.994 13.420 -0.624 1.00 51.52 C ATOM 1892 CE LYS A 124 8.689 13.924 -1.887 1.00 60.22 C ATOM 1893 NZ LYS A 124 9.313 12.818 -2.661 1.00 51.40 N ATOM 0 H LYS A 124 4.119 12.312 -0.901 1.00 65.24 H new ATOM 0 HA LYS A 124 5.645 9.953 -0.485 1.00 41.41 H new ATOM 0 HB2 LYS A 124 5.763 12.703 0.835 1.00 61.40 H new ATOM 0 HB3 LYS A 124 6.999 11.472 1.002 1.00 61.40 H new ATOM 0 HG2 LYS A 124 7.372 11.543 -1.475 1.00 10.44 H new ATOM 0 HG3 LYS A 124 6.174 12.816 -1.603 1.00 10.44 H new ATOM 0 HD2 LYS A 124 7.540 14.261 -0.099 1.00 51.52 H new ATOM 0 HD3 LYS A 124 8.734 12.986 0.049 1.00 51.52 H new ATOM 0 HE2 LYS A 124 7.966 14.443 -2.516 1.00 60.22 H new ATOM 0 HE3 LYS A 124 9.454 14.651 -1.614 1.00 60.22 H new ATOM 0 HZ1 LYS A 124 10.249 13.117 -3.000 1.00 51.40 H new ATOM 0 HZ2 LYS A 124 9.417 11.982 -2.051 1.00 51.40 H new ATOM 0 HZ3 LYS A 124 8.710 12.580 -3.474 1.00 51.40 H new ATOM 1907 N GLY A 125 5.381 9.197 1.917 1.00 53.21 N ATOM 1908 CA GLY A 125 5.016 8.576 3.190 1.00 50.14 C ATOM 1909 C GLY A 125 5.989 7.475 3.631 1.00 41.21 C ATOM 1910 O GLY A 125 7.202 7.585 3.423 1.00 20.53 O ATOM 0 H GLY A 125 6.203 8.790 1.470 1.00 53.21 H new ATOM 0 HA2 GLY A 125 4.974 9.344 3.962 1.00 50.14 H new ATOM 0 HA3 GLY A 125 4.015 8.154 3.106 1.00 50.14 H new ATOM 1914 N THR A 126 5.462 6.414 4.248 1.00 52.53 N ATOM 1915 CA THR A 126 6.287 5.294 4.743 1.00 35.24 C ATOM 1916 C THR A 126 5.622 3.935 4.476 1.00 1.34 C ATOM 1917 O THR A 126 4.410 3.855 4.263 1.00 33.14 O ATOM 1918 CB THR A 126 6.549 5.400 6.266 1.00 51.43 C ATOM 1919 OG1 THR A 126 5.302 5.422 6.978 1.00 65.24 O ATOM 1920 CG2 THR A 126 7.355 6.649 6.611 1.00 3.01 C ATOM 0 H THR A 126 4.463 6.301 4.420 1.00 52.53 H new ATOM 0 HA THR A 126 7.230 5.360 4.200 1.00 35.24 H new ATOM 0 HB THR A 126 7.130 4.527 6.564 1.00 51.43 H new ATOM 0 HG1 THR A 126 5.352 6.077 7.705 1.00 65.24 H new ATOM 0 HG21 THR A 126 7.519 6.690 7.688 1.00 3.01 H new ATOM 0 HG22 THR A 126 8.316 6.615 6.098 1.00 3.01 H new ATOM 0 HG23 THR A 126 6.806 7.536 6.294 1.00 3.01 H new ATOM 1928 N VAL A 127 6.425 2.868 4.494 1.00 33.23 N ATOM 1929 CA VAL A 127 5.911 1.501 4.339 1.00 44.31 C ATOM 1930 C VAL A 127 6.713 0.495 5.193 1.00 1.32 C ATOM 1931 O VAL A 127 7.922 0.640 5.379 1.00 62.15 O ATOM 1932 CB VAL A 127 5.938 1.050 2.851 1.00 14.10 C ATOM 1933 CG1 VAL A 127 7.372 0.959 2.331 1.00 33.15 C ATOM 1934 CG2 VAL A 127 5.205 -0.279 2.670 1.00 74.24 C ATOM 0 H VAL A 127 7.436 2.923 4.615 1.00 33.23 H new ATOM 0 HA VAL A 127 4.878 1.513 4.687 1.00 44.31 H new ATOM 0 HB VAL A 127 5.416 1.805 2.263 1.00 14.10 H new ATOM 0 HG11 VAL A 127 7.361 0.642 1.288 1.00 33.15 H new ATOM 0 HG12 VAL A 127 7.850 1.936 2.408 1.00 33.15 H new ATOM 0 HG13 VAL A 127 7.929 0.235 2.925 1.00 33.15 H new ATOM 0 HG21 VAL A 127 5.238 -0.573 1.621 1.00 74.24 H new ATOM 0 HG22 VAL A 127 5.687 -1.046 3.277 1.00 74.24 H new ATOM 0 HG23 VAL A 127 4.167 -0.168 2.983 1.00 74.24 H new ATOM 1944 N GLU A 128 6.024 -0.515 5.719 1.00 65.03 N ATOM 1945 CA GLU A 128 6.658 -1.578 6.514 1.00 13.22 C ATOM 1946 C GLU A 128 5.816 -2.859 6.475 1.00 15.22 C ATOM 1947 O GLU A 128 4.634 -2.815 6.135 1.00 1.52 O ATOM 1948 CB GLU A 128 6.835 -1.127 7.975 1.00 71.51 C ATOM 1949 CG GLU A 128 5.532 -0.725 8.666 1.00 32.34 C ATOM 1950 CD GLU A 128 5.686 -0.544 10.170 1.00 21.24 C ATOM 1951 OE1 GLU A 128 6.048 0.568 10.614 1.00 42.02 O ATOM 1952 OE2 GLU A 128 5.439 -1.516 10.918 1.00 12.13 O ATOM 0 H GLU A 128 5.016 -0.625 5.610 1.00 65.03 H new ATOM 0 HA GLU A 128 7.637 -1.782 6.080 1.00 13.22 H new ATOM 0 HB2 GLU A 128 7.299 -1.936 8.540 1.00 71.51 H new ATOM 0 HB3 GLU A 128 7.524 -0.283 8.003 1.00 71.51 H new ATOM 0 HG2 GLU A 128 5.168 0.205 8.229 1.00 32.34 H new ATOM 0 HG3 GLU A 128 4.775 -1.486 8.473 1.00 32.34 H new ATOM 1959 N LYS A 129 6.407 -4.006 6.813 1.00 33.40 N ATOM 1960 CA LYS A 129 5.619 -5.236 6.940 1.00 32.20 C ATOM 1961 C LYS A 129 4.902 -5.266 8.288 1.00 25.42 C ATOM 1962 O LYS A 129 5.512 -5.047 9.335 1.00 2.44 O ATOM 1963 CB LYS A 129 6.470 -6.502 6.769 1.00 62.13 C ATOM 1964 CG LYS A 129 5.675 -7.789 7.035 1.00 61.25 C ATOM 1965 CD LYS A 129 6.256 -9.011 6.328 1.00 75.25 C ATOM 1966 CE LYS A 129 7.700 -9.288 6.721 1.00 33.12 C ATOM 1967 NZ LYS A 129 8.202 -10.545 6.107 1.00 33.32 N ATOM 0 H LYS A 129 7.404 -4.111 7.000 1.00 33.40 H new ATOM 0 HA LYS A 129 4.886 -5.229 6.133 1.00 32.20 H new ATOM 0 HB2 LYS A 129 6.872 -6.531 5.756 1.00 62.13 H new ATOM 0 HB3 LYS A 129 7.321 -6.458 7.449 1.00 62.13 H new ATOM 0 HG2 LYS A 129 5.648 -7.977 8.108 1.00 61.25 H new ATOM 0 HG3 LYS A 129 4.644 -7.645 6.711 1.00 61.25 H new ATOM 0 HD2 LYS A 129 5.647 -9.884 6.562 1.00 75.25 H new ATOM 0 HD3 LYS A 129 6.200 -8.862 5.250 1.00 75.25 H new ATOM 0 HE2 LYS A 129 8.329 -8.454 6.410 1.00 33.12 H new ATOM 0 HE3 LYS A 129 7.776 -9.357 7.806 1.00 33.12 H new ATOM 0 HZ1 LYS A 129 9.232 -10.481 5.979 1.00 33.32 H new ATOM 0 HZ2 LYS A 129 7.980 -11.348 6.729 1.00 33.32 H new ATOM 0 HZ3 LYS A 129 7.746 -10.686 5.183 1.00 33.32 H new ATOM 1981 N THR A 130 3.610 -5.557 8.261 1.00 61.10 N ATOM 1982 CA THR A 130 2.776 -5.460 9.460 1.00 32.53 C ATOM 1983 C THR A 130 2.175 -6.806 9.870 1.00 2.43 C ATOM 1984 O THR A 130 2.014 -7.710 9.049 1.00 22.32 O ATOM 1985 CB THR A 130 1.620 -4.453 9.256 1.00 12.01 C ATOM 1986 OG1 THR A 130 0.824 -4.364 10.446 1.00 21.44 O ATOM 1987 CG2 THR A 130 0.737 -4.858 8.078 1.00 11.12 C ATOM 0 H THR A 130 3.112 -5.862 7.425 1.00 61.10 H new ATOM 0 HA THR A 130 3.439 -5.117 10.254 1.00 32.53 H new ATOM 0 HB THR A 130 2.060 -3.479 9.039 1.00 12.01 H new ATOM 0 HG1 THR A 130 0.314 -3.527 10.437 1.00 21.44 H new ATOM 0 HG21 THR A 130 -0.067 -4.131 7.959 1.00 11.12 H new ATOM 0 HG22 THR A 130 1.336 -4.889 7.168 1.00 11.12 H new ATOM 0 HG23 THR A 130 0.311 -5.844 8.265 1.00 11.12 H new ATOM 1995 N ASP A 131 1.837 -6.921 11.151 1.00 2.11 N ATOM 1996 CA ASP A 131 1.135 -8.094 11.670 1.00 74.42 C ATOM 1997 C ASP A 131 -0.348 -8.041 11.269 1.00 50.12 C ATOM 1998 O ASP A 131 -1.077 -9.033 11.377 1.00 21.43 O ATOM 1999 CB ASP A 131 1.280 -8.142 13.194 1.00 20.34 C ATOM 2000 CG ASP A 131 2.718 -7.920 13.630 1.00 52.03 C ATOM 2001 OD1 ASP A 131 3.540 -8.850 13.494 1.00 22.54 O ATOM 2002 OD2 ASP A 131 3.036 -6.802 14.089 1.00 11.02 O ATOM 0 H ASP A 131 2.039 -6.211 11.855 1.00 2.11 H new ATOM 0 HA ASP A 131 1.572 -8.997 11.245 1.00 74.42 H new ATOM 0 HB2 ASP A 131 0.642 -7.381 13.644 1.00 20.34 H new ATOM 0 HB3 ASP A 131 0.933 -9.108 13.562 1.00 20.34 H new ATOM 2007 N GLU A 132 -0.769 -6.866 10.793 1.00 3.52 N ATOM 2008 CA GLU A 132 -2.149 -6.619 10.369 1.00 11.34 C ATOM 2009 C GLU A 132 -2.526 -7.358 9.080 1.00 42.14 C ATOM 2010 O GLU A 132 -1.699 -7.573 8.189 1.00 63.52 O ATOM 2011 CB GLU A 132 -2.377 -5.107 10.179 1.00 32.43 C ATOM 2012 CG GLU A 132 -2.839 -4.386 11.441 1.00 4.43 C ATOM 2013 CD GLU A 132 -4.294 -4.680 11.772 1.00 54.31 C ATOM 2014 OE1 GLU A 132 -4.587 -5.782 12.274 1.00 3.34 O ATOM 2015 OE2 GLU A 132 -5.156 -3.815 11.502 1.00 5.21 O ATOM 0 H GLU A 132 -0.158 -6.055 10.691 1.00 3.52 H new ATOM 0 HA GLU A 132 -2.792 -7.006 11.160 1.00 11.34 H new ATOM 0 HB2 GLU A 132 -1.450 -4.651 9.831 1.00 32.43 H new ATOM 0 HB3 GLU A 132 -3.119 -4.958 9.395 1.00 32.43 H new ATOM 0 HG2 GLU A 132 -2.210 -4.686 12.279 1.00 4.43 H new ATOM 0 HG3 GLU A 132 -2.708 -3.312 11.312 1.00 4.43 H new ATOM 2022 N LYS A 133 -3.795 -7.734 9.006 1.00 4.44 N ATOM 2023 CA LYS A 133 -4.381 -8.343 7.808 1.00 34.14 C ATOM 2024 C LYS A 133 -4.675 -7.287 6.729 1.00 73.14 C ATOM 2025 O LYS A 133 -4.833 -6.103 7.032 1.00 63.21 O ATOM 2026 CB LYS A 133 -5.689 -9.077 8.171 1.00 72.42 C ATOM 2027 CG LYS A 133 -6.864 -8.158 8.543 1.00 74.20 C ATOM 2028 CD LYS A 133 -6.600 -7.340 9.810 1.00 75.43 C ATOM 2029 CE LYS A 133 -7.710 -6.333 10.085 1.00 24.15 C ATOM 2030 NZ LYS A 133 -7.395 -5.460 11.250 1.00 32.24 N ATOM 0 H LYS A 133 -4.455 -7.627 9.776 1.00 4.44 H new ATOM 0 HA LYS A 133 -3.656 -9.053 7.410 1.00 34.14 H new ATOM 0 HB2 LYS A 133 -5.986 -9.699 7.327 1.00 72.42 H new ATOM 0 HB3 LYS A 133 -5.492 -9.748 9.007 1.00 72.42 H new ATOM 0 HG2 LYS A 133 -7.065 -7.480 7.714 1.00 74.20 H new ATOM 0 HG3 LYS A 133 -7.760 -8.762 8.686 1.00 74.20 H new ATOM 0 HD2 LYS A 133 -6.503 -8.013 10.662 1.00 75.43 H new ATOM 0 HD3 LYS A 133 -5.651 -6.814 9.710 1.00 75.43 H new ATOM 0 HE2 LYS A 133 -7.866 -5.715 9.201 1.00 24.15 H new ATOM 0 HE3 LYS A 133 -8.643 -6.864 10.272 1.00 24.15 H new ATOM 0 HZ1 LYS A 133 -8.238 -4.909 11.509 1.00 32.24 H new ATOM 0 HZ2 LYS A 133 -7.106 -6.049 12.057 1.00 32.24 H new ATOM 0 HZ3 LYS A 133 -6.621 -4.812 10.999 1.00 32.24 H new ATOM 2044 N VAL A 134 -4.759 -7.722 5.474 1.00 24.21 N ATOM 2045 CA VAL A 134 -5.132 -6.824 4.376 1.00 54.21 C ATOM 2046 C VAL A 134 -6.596 -6.388 4.502 1.00 40.44 C ATOM 2047 O VAL A 134 -7.489 -7.217 4.689 1.00 24.20 O ATOM 2048 CB VAL A 134 -4.912 -7.490 2.992 1.00 65.45 C ATOM 2049 CG1 VAL A 134 -5.454 -6.611 1.863 1.00 31.21 C ATOM 2050 CG2 VAL A 134 -3.431 -7.785 2.774 1.00 74.35 C ATOM 0 H VAL A 134 -4.576 -8.684 5.190 1.00 24.21 H new ATOM 0 HA VAL A 134 -4.486 -5.949 4.447 1.00 54.21 H new ATOM 0 HB VAL A 134 -5.463 -8.430 2.979 1.00 65.45 H new ATOM 0 HG11 VAL A 134 -5.286 -7.104 0.905 1.00 31.21 H new ATOM 0 HG12 VAL A 134 -6.523 -6.452 2.006 1.00 31.21 H new ATOM 0 HG13 VAL A 134 -4.940 -5.650 1.872 1.00 31.21 H new ATOM 0 HG21 VAL A 134 -3.293 -8.252 1.799 1.00 74.35 H new ATOM 0 HG22 VAL A 134 -2.865 -6.854 2.814 1.00 74.35 H new ATOM 0 HG23 VAL A 134 -3.076 -8.460 3.553 1.00 74.35 H new ATOM 2060 N LEU A 135 -6.833 -5.085 4.408 1.00 14.25 N ATOM 2061 CA LEU A 135 -8.189 -4.543 4.484 1.00 52.52 C ATOM 2062 C LEU A 135 -9.037 -4.979 3.287 1.00 34.25 C ATOM 2063 O LEU A 135 -8.699 -4.690 2.146 1.00 13.33 O ATOM 2064 CB LEU A 135 -8.157 -3.007 4.541 1.00 45.53 C ATOM 2065 CG LEU A 135 -7.788 -2.396 5.900 1.00 54.32 C ATOM 2066 CD1 LEU A 135 -7.746 -0.871 5.807 1.00 64.23 C ATOM 2067 CD2 LEU A 135 -8.787 -2.845 6.964 1.00 71.51 C ATOM 0 H LEU A 135 -6.105 -4.382 4.279 1.00 14.25 H new ATOM 0 HA LEU A 135 -8.640 -4.936 5.395 1.00 52.52 H new ATOM 0 HB2 LEU A 135 -7.444 -2.650 3.798 1.00 45.53 H new ATOM 0 HB3 LEU A 135 -9.138 -2.631 4.249 1.00 45.53 H new ATOM 0 HG LEU A 135 -6.796 -2.746 6.185 1.00 54.32 H new ATOM 0 HD11 LEU A 135 -7.483 -0.454 6.779 1.00 64.23 H new ATOM 0 HD12 LEU A 135 -7.001 -0.572 5.070 1.00 64.23 H new ATOM 0 HD13 LEU A 135 -8.725 -0.498 5.505 1.00 64.23 H new ATOM 0 HD21 LEU A 135 -8.517 -2.407 7.925 1.00 71.51 H new ATOM 0 HD22 LEU A 135 -9.788 -2.518 6.684 1.00 71.51 H new ATOM 0 HD23 LEU A 135 -8.770 -3.932 7.044 1.00 71.51 H new ATOM 2079 N SER A 136 -10.129 -5.689 3.546 1.00 51.43 N ATOM 2080 CA SER A 136 -11.126 -5.935 2.501 1.00 14.31 C ATOM 2081 C SER A 136 -11.789 -4.617 2.105 1.00 74.32 C ATOM 2082 O SER A 136 -11.934 -3.724 2.940 1.00 1.42 O ATOM 2083 CB SER A 136 -12.197 -6.927 2.971 1.00 51.43 C ATOM 2084 OG SER A 136 -13.232 -7.056 2.005 1.00 60.33 O ATOM 0 H SER A 136 -10.348 -6.100 4.453 1.00 51.43 H new ATOM 0 HA SER A 136 -10.615 -6.369 1.641 1.00 14.31 H new ATOM 0 HB2 SER A 136 -11.741 -7.900 3.153 1.00 51.43 H new ATOM 0 HB3 SER A 136 -12.619 -6.590 3.918 1.00 51.43 H new ATOM 0 HG SER A 136 -13.902 -7.695 2.327 1.00 60.33 H new ATOM 2090 N VAL A 137 -12.192 -4.494 0.844 1.00 5.32 N ATOM 2091 CA VAL A 137 -12.824 -3.262 0.348 1.00 61.53 C ATOM 2092 C VAL A 137 -13.908 -2.752 1.316 1.00 42.22 C ATOM 2093 O VAL A 137 -14.017 -1.552 1.569 1.00 63.44 O ATOM 2094 CB VAL A 137 -13.451 -3.482 -1.054 1.00 75.22 C ATOM 2095 CG1 VAL A 137 -14.110 -2.202 -1.574 1.00 70.25 C ATOM 2096 CG2 VAL A 137 -12.399 -3.986 -2.041 1.00 43.44 C ATOM 0 H VAL A 137 -12.095 -5.228 0.142 1.00 5.32 H new ATOM 0 HA VAL A 137 -12.038 -2.510 0.276 1.00 61.53 H new ATOM 0 HB VAL A 137 -14.227 -4.242 -0.958 1.00 75.22 H new ATOM 0 HG11 VAL A 137 -14.540 -2.388 -2.558 1.00 70.25 H new ATOM 0 HG12 VAL A 137 -14.897 -1.893 -0.886 1.00 70.25 H new ATOM 0 HG13 VAL A 137 -13.362 -1.412 -1.648 1.00 70.25 H new ATOM 0 HG21 VAL A 137 -12.858 -4.134 -3.018 1.00 43.44 H new ATOM 0 HG22 VAL A 137 -11.597 -3.252 -2.124 1.00 43.44 H new ATOM 0 HG23 VAL A 137 -11.990 -4.932 -1.685 1.00 43.44 H new ATOM 2106 N LYS A 138 -14.685 -3.681 1.871 1.00 61.42 N ATOM 2107 CA LYS A 138 -15.746 -3.345 2.826 1.00 10.44 C ATOM 2108 C LYS A 138 -15.181 -2.928 4.202 1.00 14.13 C ATOM 2109 O LYS A 138 -15.625 -1.942 4.789 1.00 51.33 O ATOM 2110 CB LYS A 138 -16.695 -4.535 2.986 1.00 20.23 C ATOM 2111 CG LYS A 138 -17.887 -4.261 3.896 1.00 12.13 C ATOM 2112 CD LYS A 138 -18.782 -5.488 4.029 1.00 0.24 C ATOM 2113 CE LYS A 138 -18.032 -6.671 4.633 1.00 14.12 C ATOM 2114 NZ LYS A 138 -18.891 -7.879 4.741 1.00 60.10 N ATOM 0 H LYS A 138 -14.601 -4.679 1.676 1.00 61.42 H new ATOM 0 HA LYS A 138 -16.291 -2.490 2.427 1.00 10.44 H new ATOM 0 HB2 LYS A 138 -17.062 -4.828 2.002 1.00 20.23 H new ATOM 0 HB3 LYS A 138 -16.135 -5.382 3.383 1.00 20.23 H new ATOM 0 HG2 LYS A 138 -17.532 -3.960 4.882 1.00 12.13 H new ATOM 0 HG3 LYS A 138 -18.466 -3.428 3.498 1.00 12.13 H new ATOM 0 HD2 LYS A 138 -19.642 -5.245 4.653 1.00 0.24 H new ATOM 0 HD3 LYS A 138 -19.168 -5.765 3.048 1.00 0.24 H new ATOM 0 HE2 LYS A 138 -17.161 -6.899 4.019 1.00 14.12 H new ATOM 0 HE3 LYS A 138 -17.663 -6.399 5.622 1.00 14.12 H new ATOM 0 HZ1 LYS A 138 -18.343 -8.659 5.156 1.00 60.10 H new ATOM 0 HZ2 LYS A 138 -19.709 -7.670 5.348 1.00 60.10 H new ATOM 0 HZ3 LYS A 138 -19.223 -8.155 3.795 1.00 60.10 H new ATOM 2128 N GLU A 139 -14.194 -3.673 4.705 1.00 43.34 N ATOM 2129 CA GLU A 139 -13.577 -3.364 6.003 1.00 74.22 C ATOM 2130 C GLU A 139 -12.934 -1.968 5.967 1.00 64.14 C ATOM 2131 O GLU A 139 -12.961 -1.218 6.944 1.00 3.51 O ATOM 2132 CB GLU A 139 -12.527 -4.433 6.347 1.00 54.23 C ATOM 2133 CG GLU A 139 -11.827 -4.233 7.691 1.00 53.23 C ATOM 2134 CD GLU A 139 -12.776 -4.285 8.878 1.00 62.14 C ATOM 2135 OE1 GLU A 139 -13.228 -5.394 9.231 1.00 14.41 O ATOM 2136 OE2 GLU A 139 -13.051 -3.227 9.476 1.00 44.42 O ATOM 0 H GLU A 139 -13.804 -4.492 4.238 1.00 43.34 H new ATOM 0 HA GLU A 139 -14.347 -3.367 6.774 1.00 74.22 H new ATOM 0 HB2 GLU A 139 -13.010 -5.410 6.346 1.00 54.23 H new ATOM 0 HB3 GLU A 139 -11.774 -4.449 5.559 1.00 54.23 H new ATOM 0 HG2 GLU A 139 -11.063 -5.000 7.812 1.00 53.23 H new ATOM 0 HG3 GLU A 139 -11.315 -3.271 7.686 1.00 53.23 H new ATOM 2143 N LEU A 140 -12.373 -1.628 4.811 1.00 4.14 N ATOM 2144 CA LEU A 140 -11.822 -0.303 4.567 1.00 44.20 C ATOM 2145 C LEU A 140 -12.913 0.776 4.700 1.00 62.25 C ATOM 2146 O LEU A 140 -12.676 1.853 5.255 1.00 61.41 O ATOM 2147 CB LEU A 140 -11.178 -0.282 3.177 1.00 71.21 C ATOM 2148 CG LEU A 140 -10.004 0.689 3.022 1.00 4.42 C ATOM 2149 CD1 LEU A 140 -9.155 0.308 1.822 1.00 1.13 C ATOM 2150 CD2 LEU A 140 -10.487 2.131 2.896 1.00 31.23 C ATOM 0 H LEU A 140 -12.288 -2.264 4.018 1.00 4.14 H new ATOM 0 HA LEU A 140 -11.060 -0.079 5.314 1.00 44.20 H new ATOM 0 HB2 LEU A 140 -10.832 -1.288 2.938 1.00 71.21 H new ATOM 0 HB3 LEU A 140 -11.942 -0.025 2.443 1.00 71.21 H new ATOM 0 HG LEU A 140 -9.393 0.619 3.922 1.00 4.42 H new ATOM 0 HD11 LEU A 140 -8.325 1.008 1.726 1.00 1.13 H new ATOM 0 HD12 LEU A 140 -8.765 -0.701 1.958 1.00 1.13 H new ATOM 0 HD13 LEU A 140 -9.765 0.343 0.919 1.00 1.13 H new ATOM 0 HD21 LEU A 140 -9.629 2.794 2.788 1.00 31.23 H new ATOM 0 HD22 LEU A 140 -11.130 2.224 2.021 1.00 31.23 H new ATOM 0 HD23 LEU A 140 -11.048 2.406 3.789 1.00 31.23 H new ATOM 2162 N LEU A 141 -14.120 0.467 4.219 1.00 25.54 N ATOM 2163 CA LEU A 141 -15.268 1.371 4.375 1.00 71.13 C ATOM 2164 C LEU A 141 -15.517 1.654 5.863 1.00 55.42 C ATOM 2165 O LEU A 141 -15.690 2.802 6.280 1.00 21.02 O ATOM 2166 CB LEU A 141 -16.537 0.754 3.760 1.00 13.11 C ATOM 2167 CG LEU A 141 -16.414 0.263 2.310 1.00 73.22 C ATOM 2168 CD1 LEU A 141 -17.712 -0.400 1.851 1.00 51.30 C ATOM 2169 CD2 LEU A 141 -16.031 1.403 1.374 1.00 32.33 C ATOM 0 H LEU A 141 -14.330 -0.398 3.720 1.00 25.54 H new ATOM 0 HA LEU A 141 -15.038 2.302 3.856 1.00 71.13 H new ATOM 0 HB2 LEU A 141 -16.846 -0.086 4.382 1.00 13.11 H new ATOM 0 HB3 LEU A 141 -17.335 1.495 3.805 1.00 13.11 H new ATOM 0 HG LEU A 141 -15.618 -0.481 2.275 1.00 73.22 H new ATOM 0 HD11 LEU A 141 -17.602 -0.740 0.821 1.00 51.30 H new ATOM 0 HD12 LEU A 141 -17.932 -1.253 2.493 1.00 51.30 H new ATOM 0 HD13 LEU A 141 -18.529 0.319 1.910 1.00 51.30 H new ATOM 0 HD21 LEU A 141 -15.951 1.026 0.355 1.00 32.33 H new ATOM 0 HD22 LEU A 141 -16.795 2.179 1.415 1.00 32.33 H new ATOM 0 HD23 LEU A 141 -15.073 1.821 1.682 1.00 32.33 H new