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 : amide:sc= -0.542 X(o=0.76,f=0.8) USER MOD Set 1.2: A 103 TYR OH : rot 142:sc= 1.3 USER MOD Set 2.1: A 23 MET CE :methyl -147:sc= -1.96 (180deg=-2.11) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 142:sc= 0.965 (180deg=-1.51!) USER MOD Set 2.3: A 126 THR OG1 : rot -140:sc= -0.63 USER MOD Single : A 30 SER OG : rot -30:sc= -2.59! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0145 K(o=-0.015,f=-0.91) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.28 K(o=-3.3,f=-13!) USER MOD Single : A 63 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.81) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0.209! (180deg=-0.00367!) USER MOD Single : A 77 THR OG1 : rot -177:sc= 0.889 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 1.13 (180deg=1.03) USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 1.29 (180deg=0.784) USER MOD Single : A 95 MET CE :methyl 136:sc= -0.454 (180deg=-4.16!) USER MOD Single : A 100 MET CE :methyl -166:sc= -1.46 (180deg=-1.96) USER MOD Single : A 105 ASN : amide:sc= -0.0719 X(o=-0.072,f=-0.014) USER MOD Single : A 106 MET CE :methyl -123:sc= 0 (180deg=-0.0026) USER MOD Single : A 124 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.1) USER MOD Single : A 129 LYS NZ :NH3+ 146:sc= 2.31 (180deg=-0.0512) USER MOD Single : A 130 THR OG1 : rot 174:sc= 0.69 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0179) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 11.005 1.004 9.339 1.00 40.42 N ATOM 342 CA MET A 23 10.071 1.389 8.285 1.00 34.24 C ATOM 343 C MET A 23 10.741 2.345 7.278 1.00 55.41 C ATOM 344 O MET A 23 11.524 3.219 7.661 1.00 24.11 O ATOM 345 CB MET A 23 8.833 2.037 8.913 1.00 52.02 C ATOM 346 CG MET A 23 9.123 3.325 9.676 1.00 24.53 C ATOM 347 SD MET A 23 7.739 3.840 10.709 1.00 63.41 S ATOM 348 CE MET A 23 6.382 3.607 9.564 1.00 63.51 C ATOM 0 HA MET A 23 9.766 0.497 7.737 1.00 34.24 H new ATOM 0 HB2 MET A 23 8.109 2.249 8.127 1.00 52.02 H new ATOM 0 HB3 MET A 23 8.367 1.323 9.592 1.00 52.02 H new ATOM 0 HG2 MET A 23 10.005 3.183 10.300 1.00 24.53 H new ATOM 0 HG3 MET A 23 9.358 4.119 8.967 1.00 24.53 H new ATOM 0 HE1 MET A 23 5.614 4.357 9.753 1.00 63.51 H new ATOM 0 HE2 MET A 23 6.746 3.711 8.542 1.00 63.51 H new ATOM 0 HE3 MET A 23 5.959 2.612 9.699 1.00 63.51 H new ATOM 358 N LEU A 24 10.438 2.165 5.997 1.00 74.05 N ATOM 359 CA LEU A 24 11.084 2.938 4.928 1.00 23.43 C ATOM 360 C LEU A 24 10.188 4.057 4.401 1.00 51.51 C ATOM 361 O LEU A 24 9.022 3.835 4.074 1.00 65.20 O ATOM 362 CB LEU A 24 11.481 2.001 3.781 1.00 13.44 C ATOM 363 CG LEU A 24 12.745 1.171 4.042 1.00 25.34 C ATOM 364 CD1 LEU A 24 12.726 -0.117 3.231 1.00 51.13 C ATOM 365 CD2 LEU A 24 13.998 1.985 3.719 1.00 21.14 C ATOM 0 H LEU A 24 9.748 1.490 5.667 1.00 74.05 H new ATOM 0 HA LEU A 24 11.973 3.407 5.351 1.00 23.43 H new ATOM 0 HB2 LEU A 24 10.652 1.323 3.580 1.00 13.44 H new ATOM 0 HB3 LEU A 24 11.632 2.595 2.880 1.00 13.44 H new ATOM 0 HG LEU A 24 12.764 0.908 5.100 1.00 25.34 H new ATOM 0 HD11 LEU A 24 13.632 -0.688 3.433 1.00 51.13 H new ATOM 0 HD12 LEU A 24 11.854 -0.709 3.509 1.00 51.13 H new ATOM 0 HD13 LEU A 24 12.678 0.123 2.169 1.00 51.13 H new ATOM 0 HD21 LEU A 24 14.884 1.380 3.910 1.00 21.14 H new ATOM 0 HD22 LEU A 24 13.980 2.280 2.670 1.00 21.14 H new ATOM 0 HD23 LEU A 24 14.025 2.876 4.346 1.00 21.14 H new ATOM 377 N GLU A 25 10.741 5.262 4.320 1.00 31.14 N ATOM 378 CA GLU A 25 10.031 6.390 3.755 1.00 62.50 C ATOM 379 C GLU A 25 9.981 6.275 2.228 1.00 20.43 C ATOM 380 O GLU A 25 11.012 6.339 1.552 1.00 4.22 O ATOM 381 CB GLU A 25 10.706 7.704 4.152 1.00 20.23 C ATOM 382 CG GLU A 25 9.908 8.908 3.703 1.00 55.14 C ATOM 383 CD GLU A 25 10.606 10.238 3.936 1.00 62.53 C ATOM 384 OE1 GLU A 25 11.436 10.637 3.089 1.00 21.50 O ATOM 385 OE2 GLU A 25 10.315 10.902 4.950 1.00 2.12 O ATOM 0 H GLU A 25 11.685 5.477 4.642 1.00 31.14 H new ATOM 0 HA GLU A 25 9.014 6.385 4.147 1.00 62.50 H new ATOM 0 HB2 GLU A 25 10.831 7.735 5.234 1.00 20.23 H new ATOM 0 HB3 GLU A 25 11.703 7.746 3.714 1.00 20.23 H new ATOM 0 HG2 GLU A 25 9.686 8.808 2.641 1.00 55.14 H new ATOM 0 HG3 GLU A 25 8.953 8.914 4.229 1.00 55.14 H new ATOM 392 N VAL A 26 8.778 6.108 1.693 1.00 33.30 N ATOM 393 CA VAL A 26 8.574 5.938 0.253 1.00 2.14 C ATOM 394 C VAL A 26 7.560 6.948 -0.301 1.00 62.14 C ATOM 395 O VAL A 26 6.763 7.519 0.442 1.00 53.24 O ATOM 396 CB VAL A 26 8.087 4.504 -0.076 1.00 32.42 C ATOM 397 CG1 VAL A 26 9.165 3.472 0.258 1.00 25.22 C ATOM 398 CG2 VAL A 26 6.787 4.192 0.668 1.00 21.13 C ATOM 0 H VAL A 26 7.917 6.086 2.239 1.00 33.30 H new ATOM 0 HA VAL A 26 9.540 6.113 -0.221 1.00 2.14 H new ATOM 0 HB VAL A 26 7.889 4.450 -1.147 1.00 32.42 H new ATOM 0 HG11 VAL A 26 8.799 2.473 0.018 1.00 25.22 H new ATOM 0 HG12 VAL A 26 10.061 3.680 -0.326 1.00 25.22 H new ATOM 0 HG13 VAL A 26 9.404 3.526 1.320 1.00 25.22 H new ATOM 0 HG21 VAL A 26 6.462 3.181 0.424 1.00 21.13 H new ATOM 0 HG22 VAL A 26 6.955 4.270 1.742 1.00 21.13 H new ATOM 0 HG23 VAL A 26 6.017 4.903 0.369 1.00 21.13 H new ATOM 408 N GLU A 27 7.593 7.173 -1.612 1.00 22.31 N ATOM 409 CA GLU A 27 6.614 8.048 -2.269 1.00 52.34 C ATOM 410 C GLU A 27 5.510 7.211 -2.936 1.00 42.30 C ATOM 411 O GLU A 27 5.760 6.475 -3.890 1.00 14.33 O ATOM 412 CB GLU A 27 7.311 8.953 -3.294 1.00 71.53 C ATOM 413 CG GLU A 27 6.436 10.093 -3.808 1.00 2.01 C ATOM 414 CD GLU A 27 7.188 11.031 -4.741 1.00 65.11 C ATOM 415 OE1 GLU A 27 8.303 11.466 -4.384 1.00 44.14 O ATOM 416 OE2 GLU A 27 6.679 11.329 -5.838 1.00 63.32 O ATOM 0 H GLU A 27 8.283 6.765 -2.243 1.00 22.31 H new ATOM 0 HA GLU A 27 6.149 8.683 -1.515 1.00 52.34 H new ATOM 0 HB2 GLU A 27 8.209 9.373 -2.842 1.00 71.53 H new ATOM 0 HB3 GLU A 27 7.634 8.346 -4.140 1.00 71.53 H new ATOM 0 HG2 GLU A 27 5.575 9.678 -4.332 1.00 2.01 H new ATOM 0 HG3 GLU A 27 6.050 10.661 -2.961 1.00 2.01 H new ATOM 423 N VAL A 28 4.298 7.326 -2.408 1.00 55.53 N ATOM 424 CA VAL A 28 3.165 6.498 -2.825 1.00 71.03 C ATOM 425 C VAL A 28 2.399 7.115 -4.004 1.00 60.03 C ATOM 426 O VAL A 28 1.854 8.213 -3.902 1.00 42.22 O ATOM 427 CB VAL A 28 2.180 6.302 -1.648 1.00 45.12 C ATOM 428 CG1 VAL A 28 1.036 5.370 -2.040 1.00 54.13 C ATOM 429 CG2 VAL A 28 2.911 5.786 -0.410 1.00 32.44 C ATOM 0 H VAL A 28 4.069 7.998 -1.675 1.00 55.53 H new ATOM 0 HA VAL A 28 3.577 5.540 -3.141 1.00 71.03 H new ATOM 0 HB VAL A 28 1.748 7.272 -1.404 1.00 45.12 H new ATOM 0 HG11 VAL A 28 0.359 5.250 -1.194 1.00 54.13 H new ATOM 0 HG12 VAL A 28 0.492 5.796 -2.883 1.00 54.13 H new ATOM 0 HG13 VAL A 28 1.439 4.398 -2.323 1.00 54.13 H new ATOM 0 HG21 VAL A 28 2.199 5.656 0.405 1.00 32.44 H new ATOM 0 HG22 VAL A 28 3.381 4.829 -0.638 1.00 32.44 H new ATOM 0 HG23 VAL A 28 3.675 6.504 -0.113 1.00 32.44 H new ATOM 439 N ILE A 29 2.349 6.400 -5.121 1.00 63.13 N ATOM 440 CA ILE A 29 1.611 6.872 -6.300 1.00 64.33 C ATOM 441 C ILE A 29 0.312 6.074 -6.505 1.00 74.31 C ATOM 442 O ILE A 29 0.153 4.980 -5.961 1.00 34.22 O ATOM 443 CB ILE A 29 2.474 6.770 -7.585 1.00 4.52 C ATOM 444 CG1 ILE A 29 3.971 6.795 -7.235 1.00 2.24 C ATOM 445 CG2 ILE A 29 2.127 7.918 -8.535 1.00 64.15 C ATOM 446 CD1 ILE A 29 4.885 6.569 -8.419 1.00 61.05 C ATOM 0 H ILE A 29 2.806 5.496 -5.241 1.00 63.13 H new ATOM 0 HA ILE A 29 1.364 7.918 -6.117 1.00 64.33 H new ATOM 0 HB ILE A 29 2.257 5.823 -8.080 1.00 4.52 H new ATOM 0 HG12 ILE A 29 4.211 7.757 -6.782 1.00 2.24 H new ATOM 0 HG13 ILE A 29 4.171 6.030 -6.484 1.00 2.24 H new ATOM 0 HG21 ILE A 29 2.736 7.842 -9.436 1.00 64.15 H new ATOM 0 HG22 ILE A 29 1.072 7.861 -8.804 1.00 64.15 H new ATOM 0 HG23 ILE A 29 2.325 8.870 -8.043 1.00 64.15 H new ATOM 0 HD11 ILE A 29 5.923 6.601 -8.089 1.00 61.05 H new ATOM 0 HD12 ILE A 29 4.675 5.595 -8.860 1.00 61.05 H new ATOM 0 HD13 ILE A 29 4.716 7.348 -9.163 1.00 61.05 H new ATOM 458 N SER A 30 -0.616 6.616 -7.298 1.00 2.55 N ATOM 459 CA SER A 30 -1.892 5.935 -7.580 1.00 74.20 C ATOM 460 C SER A 30 -2.217 5.923 -9.077 1.00 13.21 C ATOM 461 O SER A 30 -2.591 6.944 -9.655 1.00 74.41 O ATOM 462 CB SER A 30 -3.043 6.588 -6.805 1.00 71.14 C ATOM 463 OG SER A 30 -2.904 6.381 -5.410 1.00 0.34 O ATOM 0 H SER A 30 -0.513 7.521 -7.757 1.00 2.55 H new ATOM 0 HA SER A 30 -1.778 4.902 -7.251 1.00 74.20 H new ATOM 0 HB2 SER A 30 -3.067 7.657 -7.016 1.00 71.14 H new ATOM 0 HB3 SER A 30 -3.993 6.175 -7.144 1.00 71.14 H new ATOM 0 HG SER A 30 -2.443 5.531 -5.250 1.00 0.34 H new ATOM 469 N GLY A 31 -2.079 4.755 -9.699 1.00 40.41 N ATOM 470 CA GLY A 31 -2.421 4.606 -11.111 1.00 13.14 C ATOM 471 C GLY A 31 -3.855 4.131 -11.312 1.00 24.41 C ATOM 472 O GLY A 31 -4.189 2.989 -10.981 1.00 10.22 O ATOM 0 H GLY A 31 -1.736 3.905 -9.252 1.00 40.41 H new ATOM 0 HA2 GLY A 31 -2.282 5.560 -11.619 1.00 13.14 H new ATOM 0 HA3 GLY A 31 -1.737 3.896 -11.575 1.00 13.14 H new ATOM 711 N GLU A 47 -12.783 -8.214 -8.988 1.00 23.54 N ATOM 712 CA GLU A 47 -11.978 -7.377 -9.886 1.00 72.50 C ATOM 713 C GLU A 47 -11.345 -6.201 -9.129 1.00 10.02 C ATOM 714 O GLU A 47 -10.167 -5.884 -9.317 1.00 64.12 O ATOM 715 CB GLU A 47 -12.856 -6.837 -11.024 1.00 3.41 C ATOM 716 CG GLU A 47 -12.134 -5.873 -11.962 1.00 41.34 C ATOM 717 CD GLU A 47 -13.076 -5.170 -12.927 1.00 13.05 C ATOM 718 OE1 GLU A 47 -13.872 -4.318 -12.473 1.00 24.05 O ATOM 719 OE2 GLU A 47 -13.028 -5.456 -14.140 1.00 74.12 O ATOM 0 HA GLU A 47 -11.179 -7.995 -10.296 1.00 72.50 H new ATOM 0 HB2 GLU A 47 -13.236 -7.677 -11.605 1.00 3.41 H new ATOM 0 HB3 GLU A 47 -13.720 -6.330 -10.593 1.00 3.41 H new ATOM 0 HG2 GLU A 47 -11.604 -5.126 -11.370 1.00 41.34 H new ATOM 0 HG3 GLU A 47 -11.382 -6.421 -12.530 1.00 41.34 H new ATOM 726 N TYR A 48 -12.130 -5.563 -8.265 1.00 71.33 N ATOM 727 CA TYR A 48 -11.646 -4.421 -7.492 1.00 22.15 C ATOM 728 C TYR A 48 -10.633 -4.884 -6.433 1.00 2.41 C ATOM 729 O TYR A 48 -9.640 -4.208 -6.163 1.00 73.34 O ATOM 730 CB TYR A 48 -12.823 -3.684 -6.823 1.00 73.54 C ATOM 731 CG TYR A 48 -12.678 -2.171 -6.842 1.00 72.24 C ATOM 732 CD1 TYR A 48 -11.745 -1.528 -6.039 1.00 45.04 C ATOM 733 CD2 TYR A 48 -13.461 -1.390 -7.684 1.00 25.12 C ATOM 734 CE1 TYR A 48 -11.594 -0.155 -6.079 1.00 42.40 C ATOM 735 CE2 TYR A 48 -13.322 -0.017 -7.727 1.00 62.45 C ATOM 736 CZ TYR A 48 -12.384 0.598 -6.924 1.00 65.53 C ATOM 737 OH TYR A 48 -12.234 1.968 -6.967 1.00 21.00 O ATOM 0 H TYR A 48 -13.101 -5.816 -8.082 1.00 71.33 H new ATOM 0 HA TYR A 48 -11.148 -3.730 -8.172 1.00 22.15 H new ATOM 0 HB2 TYR A 48 -13.749 -3.959 -7.329 1.00 73.54 H new ATOM 0 HB3 TYR A 48 -12.912 -4.020 -5.790 1.00 73.54 H new ATOM 0 HD1 TYR A 48 -11.127 -2.111 -5.372 1.00 45.04 H new ATOM 0 HD2 TYR A 48 -14.194 -1.867 -8.318 1.00 25.12 H new ATOM 0 HE1 TYR A 48 -10.860 0.328 -5.451 1.00 42.40 H new ATOM 0 HE2 TYR A 48 -13.944 0.572 -8.385 1.00 62.45 H new ATOM 0 HH TYR A 48 -12.866 2.346 -7.614 1.00 21.00 H new ATOM 747 N PHE A 49 -10.886 -6.060 -5.856 1.00 42.42 N ATOM 748 CA PHE A 49 -10.025 -6.624 -4.816 1.00 73.43 C ATOM 749 C PHE A 49 -8.626 -6.950 -5.371 1.00 52.10 C ATOM 750 O PHE A 49 -7.636 -6.326 -4.991 1.00 1.32 O ATOM 751 CB PHE A 49 -10.677 -7.887 -4.223 1.00 62.41 C ATOM 752 CG PHE A 49 -9.930 -8.478 -3.048 1.00 55.31 C ATOM 753 CD1 PHE A 49 -10.183 -8.038 -1.755 1.00 30.20 C ATOM 754 CD2 PHE A 49 -8.985 -9.479 -3.234 1.00 34.55 C ATOM 755 CE1 PHE A 49 -9.510 -8.582 -0.677 1.00 55.40 C ATOM 756 CE2 PHE A 49 -8.309 -10.025 -2.158 1.00 51.20 C ATOM 757 CZ PHE A 49 -8.572 -9.577 -0.878 1.00 0.11 C ATOM 0 H PHE A 49 -11.687 -6.644 -6.094 1.00 42.42 H new ATOM 0 HA PHE A 49 -9.906 -5.881 -4.027 1.00 73.43 H new ATOM 0 HB2 PHE A 49 -11.692 -7.645 -3.909 1.00 62.41 H new ATOM 0 HB3 PHE A 49 -10.757 -8.642 -5.005 1.00 62.41 H new ATOM 0 HD1 PHE A 49 -10.915 -7.261 -1.590 1.00 30.20 H new ATOM 0 HD2 PHE A 49 -8.775 -9.835 -4.232 1.00 34.55 H new ATOM 0 HE1 PHE A 49 -9.717 -8.229 0.323 1.00 55.40 H new ATOM 0 HE2 PHE A 49 -7.576 -10.801 -2.318 1.00 51.20 H new ATOM 0 HZ PHE A 49 -8.046 -10.003 -0.036 1.00 0.11 H new ATOM 767 N ASN A 50 -8.561 -7.903 -6.303 1.00 1.24 N ATOM 768 CA ASN A 50 -7.278 -8.365 -6.865 1.00 43.45 C ATOM 769 C ASN A 50 -6.441 -7.217 -7.465 1.00 32.13 C ATOM 770 O ASN A 50 -5.239 -7.366 -7.684 1.00 52.10 O ATOM 771 CB ASN A 50 -7.519 -9.429 -7.945 1.00 65.23 C ATOM 772 CG ASN A 50 -8.277 -10.635 -7.427 1.00 61.13 C ATOM 773 OD1 ASN A 50 -8.221 -10.965 -6.250 1.00 10.13 O ATOM 774 ND2 ASN A 50 -8.981 -11.311 -8.310 1.00 2.34 N ATOM 0 H ASN A 50 -9.380 -8.374 -6.689 1.00 1.24 H new ATOM 0 HA ASN A 50 -6.713 -8.790 -6.035 1.00 43.45 H new ATOM 0 HB2 ASN A 50 -8.076 -8.983 -8.769 1.00 65.23 H new ATOM 0 HB3 ASN A 50 -6.560 -9.755 -8.347 1.00 65.23 H new ATOM 0 HD21 ASN A 50 -9.502 -12.139 -8.021 1.00 2.34 H new ATOM 0 HD22 ASN A 50 -9.005 -11.007 -9.283 1.00 2.34 H new ATOM 781 N ALA A 51 -7.085 -6.085 -7.740 1.00 13.12 N ATOM 782 CA ALA A 51 -6.410 -4.940 -8.360 1.00 51.04 C ATOM 783 C ALA A 51 -5.773 -3.999 -7.324 1.00 64.42 C ATOM 784 O ALA A 51 -4.569 -3.773 -7.344 1.00 22.24 O ATOM 785 CB ALA A 51 -7.389 -4.166 -9.234 1.00 54.24 C ATOM 0 H ALA A 51 -8.074 -5.933 -7.544 1.00 13.12 H new ATOM 0 HA ALA A 51 -5.602 -5.338 -8.974 1.00 51.04 H new ATOM 0 HB1 ALA A 51 -6.878 -3.318 -9.690 1.00 54.24 H new ATOM 0 HB2 ALA A 51 -7.774 -4.820 -10.016 1.00 54.24 H new ATOM 0 HB3 ALA A 51 -8.216 -3.805 -8.622 1.00 54.24 H new ATOM 791 N VAL A 52 -6.575 -3.452 -6.418 1.00 33.43 N ATOM 792 CA VAL A 52 -6.089 -2.404 -5.502 1.00 53.53 C ATOM 793 C VAL A 52 -5.662 -2.950 -4.126 1.00 52.54 C ATOM 794 O VAL A 52 -5.485 -2.188 -3.177 1.00 45.11 O ATOM 795 CB VAL A 52 -7.165 -1.306 -5.311 1.00 15.04 C ATOM 796 CG1 VAL A 52 -7.572 -0.718 -6.661 1.00 74.04 C ATOM 797 CG2 VAL A 52 -8.382 -1.855 -4.568 1.00 61.24 C ATOM 0 H VAL A 52 -7.555 -3.707 -6.291 1.00 33.43 H new ATOM 0 HA VAL A 52 -5.201 -1.980 -5.971 1.00 53.53 H new ATOM 0 HB VAL A 52 -6.735 -0.509 -4.704 1.00 15.04 H new ATOM 0 HG11 VAL A 52 -8.329 0.052 -6.509 1.00 74.04 H new ATOM 0 HG12 VAL A 52 -6.699 -0.279 -7.145 1.00 74.04 H new ATOM 0 HG13 VAL A 52 -7.979 -1.507 -7.294 1.00 74.04 H new ATOM 0 HG21 VAL A 52 -9.122 -1.064 -4.447 1.00 61.24 H new ATOM 0 HG22 VAL A 52 -8.817 -2.675 -5.139 1.00 61.24 H new ATOM 0 HG23 VAL A 52 -8.076 -2.218 -3.587 1.00 61.24 H new ATOM 807 N ASN A 53 -5.476 -4.266 -4.025 1.00 71.45 N ATOM 808 CA ASN A 53 -5.077 -4.901 -2.756 1.00 21.21 C ATOM 809 C ASN A 53 -3.571 -5.196 -2.683 1.00 72.30 C ATOM 810 O ASN A 53 -3.124 -5.925 -1.799 1.00 75.00 O ATOM 811 CB ASN A 53 -5.878 -6.191 -2.539 1.00 53.55 C ATOM 812 CG ASN A 53 -7.201 -5.923 -1.849 1.00 43.33 C ATOM 813 OD1 ASN A 53 -7.373 -6.231 -0.676 1.00 44.23 O ATOM 814 ND2 ASN A 53 -8.131 -5.304 -2.552 1.00 22.50 N ATOM 0 H ASN A 53 -5.593 -4.917 -4.801 1.00 71.45 H new ATOM 0 HA ASN A 53 -5.299 -4.189 -1.961 1.00 21.21 H new ATOM 0 HB2 ASN A 53 -6.060 -6.672 -3.500 1.00 53.55 H new ATOM 0 HB3 ASN A 53 -5.290 -6.887 -1.941 1.00 53.55 H new ATOM 0 HD21 ASN A 53 -9.024 -5.068 -2.120 1.00 22.50 H new ATOM 0 HD22 ASN A 53 -7.956 -5.061 -3.527 1.00 22.50 H new ATOM 821 N TYR A 54 -2.783 -4.620 -3.587 1.00 55.11 N ATOM 822 CA TYR A 54 -1.329 -4.824 -3.562 1.00 31.32 C ATOM 823 C TYR A 54 -0.562 -3.528 -3.856 1.00 32.14 C ATOM 824 O TYR A 54 -1.123 -2.554 -4.355 1.00 44.15 O ATOM 825 CB TYR A 54 -0.912 -5.917 -4.563 1.00 63.50 C ATOM 826 CG TYR A 54 -1.069 -5.528 -6.026 1.00 74.02 C ATOM 827 CD1 TYR A 54 -0.040 -4.885 -6.711 1.00 72.15 C ATOM 828 CD2 TYR A 54 -2.238 -5.811 -6.722 1.00 11.45 C ATOM 829 CE1 TYR A 54 -0.178 -4.533 -8.041 1.00 74.05 C ATOM 830 CE2 TYR A 54 -2.379 -5.462 -8.053 1.00 33.14 C ATOM 831 CZ TYR A 54 -1.349 -4.822 -8.706 1.00 41.04 C ATOM 832 OH TYR A 54 -1.490 -4.475 -10.032 1.00 22.53 O ATOM 0 H TYR A 54 -3.116 -4.016 -4.338 1.00 55.11 H new ATOM 0 HA TYR A 54 -1.071 -5.146 -2.553 1.00 31.32 H new ATOM 0 HB2 TYR A 54 0.130 -6.181 -4.380 1.00 63.50 H new ATOM 0 HB3 TYR A 54 -1.505 -6.811 -4.373 1.00 63.50 H new ATOM 0 HD1 TYR A 54 0.881 -4.658 -6.194 1.00 72.15 H new ATOM 0 HD2 TYR A 54 -3.050 -6.312 -6.215 1.00 11.45 H new ATOM 0 HE1 TYR A 54 0.629 -4.034 -8.556 1.00 74.05 H new ATOM 0 HE2 TYR A 54 -3.294 -5.691 -8.579 1.00 33.14 H new ATOM 0 HH TYR A 54 -2.375 -4.751 -10.350 1.00 22.53 H new ATOM 842 N ALA A 55 0.728 -3.539 -3.545 1.00 24.33 N ATOM 843 CA ALA A 55 1.618 -2.415 -3.845 1.00 41.34 C ATOM 844 C ALA A 55 2.917 -2.906 -4.500 1.00 1.12 C ATOM 845 O ALA A 55 3.398 -3.999 -4.192 1.00 74.44 O ATOM 846 CB ALA A 55 1.924 -1.638 -2.568 1.00 33.14 C ATOM 0 H ALA A 55 1.189 -4.321 -3.080 1.00 24.33 H new ATOM 0 HA ALA A 55 1.115 -1.753 -4.550 1.00 41.34 H new ATOM 0 HB1 ALA A 55 2.586 -0.804 -2.800 1.00 33.14 H new ATOM 0 HB2 ALA A 55 0.996 -1.257 -2.143 1.00 33.14 H new ATOM 0 HB3 ALA A 55 2.409 -2.297 -1.848 1.00 33.14 H new ATOM 852 N GLU A 56 3.471 -2.105 -5.404 1.00 20.11 N ATOM 853 CA GLU A 56 4.727 -2.446 -6.083 1.00 14.50 C ATOM 854 C GLU A 56 5.929 -1.759 -5.410 1.00 62.31 C ATOM 855 O GLU A 56 6.079 -0.537 -5.482 1.00 5.22 O ATOM 856 CB GLU A 56 4.649 -2.053 -7.569 1.00 71.12 C ATOM 857 CG GLU A 56 3.599 -2.837 -8.355 1.00 20.01 C ATOM 858 CD GLU A 56 3.525 -2.438 -9.824 1.00 51.53 C ATOM 859 OE1 GLU A 56 4.543 -2.576 -10.540 1.00 65.53 O ATOM 860 OE2 GLU A 56 2.439 -2.013 -10.281 1.00 21.22 O ATOM 0 H GLU A 56 3.072 -1.210 -5.688 1.00 20.11 H new ATOM 0 HA GLU A 56 4.872 -3.524 -6.007 1.00 14.50 H new ATOM 0 HB2 GLU A 56 4.426 -0.989 -7.643 1.00 71.12 H new ATOM 0 HB3 GLU A 56 5.625 -2.208 -8.029 1.00 71.12 H new ATOM 0 HG2 GLU A 56 3.823 -3.902 -8.285 1.00 20.01 H new ATOM 0 HG3 GLU A 56 2.623 -2.686 -7.895 1.00 20.01 H new ATOM 867 N ILE A 57 6.779 -2.556 -4.753 1.00 54.51 N ATOM 868 CA ILE A 57 7.956 -2.036 -4.038 1.00 34.04 C ATOM 869 C ILE A 57 9.262 -2.436 -4.746 1.00 23.24 C ATOM 870 O ILE A 57 9.386 -3.548 -5.263 1.00 35.20 O ATOM 871 CB ILE A 57 8.021 -2.557 -2.568 1.00 21.21 C ATOM 872 CG1 ILE A 57 6.725 -2.247 -1.788 1.00 61.12 C ATOM 873 CG2 ILE A 57 9.229 -1.968 -1.837 1.00 74.31 C ATOM 874 CD1 ILE A 57 5.588 -3.211 -2.060 1.00 4.20 C ATOM 0 H ILE A 57 6.675 -3.569 -4.700 1.00 54.51 H new ATOM 0 HA ILE A 57 7.852 -0.951 -4.033 1.00 34.04 H new ATOM 0 HB ILE A 57 8.129 -3.641 -2.617 1.00 21.21 H new ATOM 0 HG12 ILE A 57 6.946 -2.256 -0.721 1.00 61.12 H new ATOM 0 HG13 ILE A 57 6.398 -1.238 -2.037 1.00 61.12 H new ATOM 0 HG21 ILE A 57 9.255 -2.345 -0.814 1.00 74.31 H new ATOM 0 HG22 ILE A 57 10.144 -2.258 -2.354 1.00 74.31 H new ATOM 0 HG23 ILE A 57 9.150 -0.881 -1.821 1.00 74.31 H new ATOM 0 HD11 ILE A 57 4.717 -2.921 -1.473 1.00 4.20 H new ATOM 0 HD12 ILE A 57 5.336 -3.186 -3.120 1.00 4.20 H new ATOM 0 HD13 ILE A 57 5.893 -4.220 -1.783 1.00 4.20 H new ATOM 886 N ASN A 58 10.234 -1.521 -4.761 1.00 61.22 N ATOM 887 CA ASN A 58 11.561 -1.803 -5.322 1.00 32.15 C ATOM 888 C ASN A 58 12.258 -2.926 -4.532 1.00 10.54 C ATOM 889 O ASN A 58 12.187 -2.962 -3.304 1.00 10.24 O ATOM 890 CB ASN A 58 12.416 -0.528 -5.304 1.00 12.55 C ATOM 891 CG ASN A 58 13.763 -0.693 -5.987 1.00 55.44 C ATOM 892 OD1 ASN A 58 14.384 -1.748 -5.944 1.00 74.11 O ATOM 893 ND2 ASN A 58 14.220 0.344 -6.645 1.00 35.35 N ATOM 0 H ASN A 58 10.128 -0.576 -4.391 1.00 61.22 H new ATOM 0 HA ASN A 58 11.441 -2.136 -6.353 1.00 32.15 H new ATOM 0 HB2 ASN A 58 11.866 0.276 -5.793 1.00 12.55 H new ATOM 0 HB3 ASN A 58 12.577 -0.222 -4.270 1.00 12.55 H new ATOM 0 HD21 ASN A 58 15.112 0.284 -7.136 1.00 35.35 H new ATOM 0 HD22 ASN A 58 13.684 1.212 -6.666 1.00 35.35 H new ATOM 900 N GLU A 59 12.939 -3.827 -5.243 1.00 5.11 N ATOM 901 CA GLU A 59 13.612 -4.972 -4.615 1.00 64.12 C ATOM 902 C GLU A 59 14.582 -4.545 -3.499 1.00 45.04 C ATOM 903 O GLU A 59 14.770 -5.263 -2.520 1.00 3.23 O ATOM 904 CB GLU A 59 14.358 -5.803 -5.670 1.00 62.21 C ATOM 905 CG GLU A 59 15.137 -6.975 -5.078 1.00 34.54 C ATOM 906 CD GLU A 59 15.557 -8.002 -6.117 1.00 61.41 C ATOM 907 OE1 GLU A 59 16.499 -7.725 -6.889 1.00 44.22 O ATOM 908 OE2 GLU A 59 14.955 -9.097 -6.154 1.00 13.03 O ATOM 0 H GLU A 59 13.041 -3.788 -6.257 1.00 5.11 H new ATOM 0 HA GLU A 59 12.834 -5.582 -4.155 1.00 64.12 H new ATOM 0 HB2 GLU A 59 13.640 -6.183 -6.397 1.00 62.21 H new ATOM 0 HB3 GLU A 59 15.047 -5.155 -6.212 1.00 62.21 H new ATOM 0 HG2 GLU A 59 16.025 -6.594 -4.573 1.00 34.54 H new ATOM 0 HG3 GLU A 59 14.525 -7.464 -4.320 1.00 34.54 H new ATOM 915 N GLU A 60 15.183 -3.375 -3.648 1.00 44.12 N ATOM 916 CA GLU A 60 16.106 -2.844 -2.638 1.00 55.52 C ATOM 917 C GLU A 60 15.405 -2.643 -1.278 1.00 64.41 C ATOM 918 O GLU A 60 15.845 -3.175 -0.255 1.00 73.14 O ATOM 919 CB GLU A 60 16.718 -1.527 -3.129 1.00 71.30 C ATOM 920 CG GLU A 60 17.388 -1.631 -4.498 1.00 24.25 C ATOM 921 CD GLU A 60 18.519 -2.652 -4.536 1.00 15.21 C ATOM 922 OE1 GLU A 60 18.243 -3.858 -4.717 1.00 34.03 O ATOM 923 OE2 GLU A 60 19.692 -2.253 -4.377 1.00 44.34 O ATOM 0 H GLU A 60 15.053 -2.769 -4.458 1.00 44.12 H new ATOM 0 HA GLU A 60 16.902 -3.574 -2.490 1.00 55.52 H new ATOM 0 HB2 GLU A 60 15.936 -0.769 -3.174 1.00 71.30 H new ATOM 0 HB3 GLU A 60 17.453 -1.185 -2.400 1.00 71.30 H new ATOM 0 HG2 GLU A 60 16.639 -1.900 -5.243 1.00 24.25 H new ATOM 0 HG3 GLU A 60 17.780 -0.653 -4.779 1.00 24.25 H new ATOM 930 N ASP A 61 14.312 -1.878 -1.272 1.00 20.11 N ATOM 931 CA ASP A 61 13.515 -1.671 -0.054 1.00 60.52 C ATOM 932 C ASP A 61 12.853 -2.988 0.381 1.00 54.12 C ATOM 933 O ASP A 61 12.714 -3.277 1.572 1.00 31.11 O ATOM 934 CB ASP A 61 12.449 -0.599 -0.302 1.00 11.52 C ATOM 935 CG ASP A 61 13.051 0.689 -0.830 1.00 31.21 C ATOM 936 OD1 ASP A 61 13.785 1.363 -0.076 1.00 61.33 O ATOM 937 OD2 ASP A 61 12.818 1.017 -2.011 1.00 15.41 O ATOM 0 H ASP A 61 13.956 -1.391 -2.094 1.00 20.11 H new ATOM 0 HA ASP A 61 14.175 -1.334 0.745 1.00 60.52 H new ATOM 0 HB2 ASP A 61 11.715 -0.975 -1.015 1.00 11.52 H new ATOM 0 HB3 ASP A 61 11.916 -0.396 0.627 1.00 11.52 H new ATOM 942 N TRP A 62 12.461 -3.771 -0.616 1.00 12.43 N ATOM 943 CA TRP A 62 11.912 -5.115 -0.423 1.00 4.22 C ATOM 944 C TRP A 62 12.854 -5.979 0.436 1.00 32.00 C ATOM 945 O TRP A 62 12.432 -6.619 1.404 1.00 35.40 O ATOM 946 CB TRP A 62 11.724 -5.745 -1.809 1.00 72.35 C ATOM 947 CG TRP A 62 11.050 -7.078 -1.825 1.00 0.30 C ATOM 948 CD1 TRP A 62 11.637 -8.302 -1.683 1.00 22.20 C ATOM 949 CD2 TRP A 62 9.659 -7.319 -2.025 1.00 2.43 C ATOM 950 NE1 TRP A 62 10.688 -9.286 -1.783 1.00 53.22 N ATOM 951 CE2 TRP A 62 9.467 -8.708 -1.989 1.00 71.14 C ATOM 952 CE3 TRP A 62 8.552 -6.487 -2.223 1.00 14.51 C ATOM 953 CZ2 TRP A 62 8.217 -9.286 -2.154 1.00 41.34 C ATOM 954 CZ3 TRP A 62 7.311 -7.065 -2.382 1.00 11.33 C ATOM 955 CH2 TRP A 62 7.152 -8.453 -2.347 1.00 42.14 C ATOM 0 H TRP A 62 12.514 -3.491 -1.595 1.00 12.43 H new ATOM 0 HA TRP A 62 10.959 -5.055 0.103 1.00 4.22 H new ATOM 0 HB2 TRP A 62 11.145 -5.057 -2.426 1.00 72.35 H new ATOM 0 HB3 TRP A 62 12.703 -5.847 -2.278 1.00 72.35 H new ATOM 0 HD1 TRP A 62 12.691 -8.470 -1.517 1.00 22.20 H new ATOM 0 HE1 TRP A 62 10.865 -10.288 -1.715 1.00 53.22 H new ATOM 0 HE3 TRP A 62 8.667 -5.414 -2.251 1.00 14.51 H new ATOM 0 HZ2 TRP A 62 8.090 -10.358 -2.131 1.00 41.34 H new ATOM 0 HZ3 TRP A 62 6.447 -6.435 -2.536 1.00 11.33 H new ATOM 0 HH2 TRP A 62 6.166 -8.876 -2.475 1.00 42.14 H new ATOM 966 N ASN A 63 14.137 -5.971 0.078 1.00 62.33 N ATOM 967 CA ASN A 63 15.164 -6.722 0.805 1.00 3.42 C ATOM 968 C ASN A 63 15.431 -6.124 2.194 1.00 12.00 C ATOM 969 O ASN A 63 15.715 -6.851 3.148 1.00 41.10 O ATOM 970 CB ASN A 63 16.463 -6.756 -0.006 1.00 20.20 C ATOM 971 CG ASN A 63 16.327 -7.563 -1.288 1.00 13.30 C ATOM 972 OD1 ASN A 63 15.574 -8.528 -1.353 1.00 73.13 O ATOM 973 ND2 ASN A 63 17.063 -7.187 -2.316 1.00 4.14 N ATOM 0 H ASN A 63 14.495 -5.447 -0.720 1.00 62.33 H new ATOM 0 HA ASN A 63 14.793 -7.737 0.945 1.00 3.42 H new ATOM 0 HB2 ASN A 63 16.761 -5.737 -0.252 1.00 20.20 H new ATOM 0 HB3 ASN A 63 17.258 -7.182 0.605 1.00 20.20 H new ATOM 0 HD21 ASN A 63 17.014 -7.704 -3.194 1.00 4.14 H new ATOM 0 HD22 ASN A 63 17.681 -6.380 -2.233 1.00 4.14 H new ATOM 980 N ALA A 64 15.346 -4.799 2.301 1.00 33.51 N ATOM 981 CA ALA A 64 15.508 -4.118 3.592 1.00 1.30 C ATOM 982 C ALA A 64 14.460 -4.597 4.608 1.00 50.21 C ATOM 983 O ALA A 64 14.794 -5.015 5.720 1.00 13.00 O ATOM 984 CB ALA A 64 15.415 -2.608 3.404 1.00 50.53 C ATOM 0 H ALA A 64 15.167 -4.174 1.515 1.00 33.51 H new ATOM 0 HA ALA A 64 16.494 -4.366 3.986 1.00 1.30 H new ATOM 0 HB1 ALA A 64 15.536 -2.113 4.368 1.00 50.53 H new ATOM 0 HB2 ALA A 64 16.200 -2.277 2.725 1.00 50.53 H new ATOM 0 HB3 ALA A 64 14.442 -2.353 2.985 1.00 50.53 H new ATOM 990 N LEU A 65 13.193 -4.554 4.204 1.00 33.12 N ATOM 991 CA LEU A 65 12.086 -5.013 5.055 1.00 44.41 C ATOM 992 C LEU A 65 12.004 -6.550 5.111 1.00 71.32 C ATOM 993 O LEU A 65 11.182 -7.105 5.845 1.00 35.01 O ATOM 994 CB LEU A 65 10.756 -4.446 4.536 1.00 11.23 C ATOM 995 CG LEU A 65 10.626 -2.915 4.571 1.00 72.44 C ATOM 996 CD1 LEU A 65 9.348 -2.465 3.868 1.00 52.20 C ATOM 997 CD2 LEU A 65 10.659 -2.403 6.009 1.00 32.44 C ATOM 0 H LEU A 65 12.902 -4.206 3.291 1.00 33.12 H new ATOM 0 HA LEU A 65 12.276 -4.650 6.065 1.00 44.41 H new ATOM 0 HB2 LEU A 65 10.616 -4.781 3.508 1.00 11.23 H new ATOM 0 HB3 LEU A 65 9.945 -4.875 5.125 1.00 11.23 H new ATOM 0 HG LEU A 65 11.476 -2.489 4.038 1.00 72.44 H new ATOM 0 HD11 LEU A 65 9.276 -1.378 3.905 1.00 52.20 H new ATOM 0 HD12 LEU A 65 9.370 -2.792 2.829 1.00 52.20 H new ATOM 0 HD13 LEU A 65 8.484 -2.903 4.368 1.00 52.20 H new ATOM 0 HD21 LEU A 65 10.566 -1.317 6.011 1.00 32.44 H new ATOM 0 HD22 LEU A 65 9.832 -2.839 6.570 1.00 32.44 H new ATOM 0 HD23 LEU A 65 11.603 -2.687 6.475 1.00 32.44 H new ATOM 1009 N GLY A 66 12.850 -7.231 4.335 1.00 53.51 N ATOM 1010 CA GLY A 66 12.821 -8.693 4.279 1.00 3.42 C ATOM 1011 C GLY A 66 11.466 -9.236 3.833 1.00 10.43 C ATOM 1012 O GLY A 66 10.897 -10.123 4.471 1.00 11.52 O ATOM 0 H GLY A 66 13.558 -6.798 3.742 1.00 53.51 H new ATOM 0 HA2 GLY A 66 13.592 -9.042 3.592 1.00 3.42 H new ATOM 0 HA3 GLY A 66 13.064 -9.096 5.262 1.00 3.42 H new ATOM 1016 N LEU A 67 10.950 -8.692 2.736 1.00 31.41 N ATOM 1017 CA LEU A 67 9.612 -9.034 2.248 1.00 5.42 C ATOM 1018 C LEU A 67 9.601 -10.268 1.332 1.00 65.44 C ATOM 1019 O LEU A 67 10.626 -10.687 0.786 1.00 23.40 O ATOM 1020 CB LEU A 67 9.008 -7.838 1.498 1.00 71.24 C ATOM 1021 CG LEU A 67 8.687 -6.606 2.356 1.00 13.24 C ATOM 1022 CD1 LEU A 67 8.246 -5.434 1.481 1.00 12.21 C ATOM 1023 CD2 LEU A 67 7.613 -6.939 3.388 1.00 63.21 C ATOM 0 H LEU A 67 11.440 -8.006 2.161 1.00 31.41 H new ATOM 0 HA LEU A 67 9.013 -9.279 3.125 1.00 5.42 H new ATOM 0 HB2 LEU A 67 9.700 -7.539 0.711 1.00 71.24 H new ATOM 0 HB3 LEU A 67 8.091 -8.166 1.008 1.00 71.24 H new ATOM 0 HG LEU A 67 9.594 -6.312 2.884 1.00 13.24 H new ATOM 0 HD11 LEU A 67 8.024 -4.573 2.111 1.00 12.21 H new ATOM 0 HD12 LEU A 67 9.045 -5.178 0.785 1.00 12.21 H new ATOM 0 HD13 LEU A 67 7.354 -5.714 0.921 1.00 12.21 H new ATOM 0 HD21 LEU A 67 7.398 -6.054 3.987 1.00 63.21 H new ATOM 0 HD22 LEU A 67 6.705 -7.261 2.878 1.00 63.21 H new ATOM 0 HD23 LEU A 67 7.968 -7.740 4.037 1.00 63.21 H new ATOM 1035 N GLN A 68 8.413 -10.838 1.188 1.00 10.21 N ATOM 1036 CA GLN A 68 8.152 -11.935 0.257 1.00 61.20 C ATOM 1037 C GLN A 68 6.828 -11.681 -0.473 1.00 72.34 C ATOM 1038 O GLN A 68 5.942 -11.009 0.053 1.00 13.34 O ATOM 1039 CB GLN A 68 8.097 -13.267 1.014 1.00 70.31 C ATOM 1040 CG GLN A 68 7.858 -14.480 0.123 1.00 45.43 C ATOM 1041 CD GLN A 68 7.754 -15.777 0.906 1.00 74.11 C ATOM 1042 OE1 GLN A 68 7.317 -15.794 2.053 1.00 62.22 O ATOM 1043 NE2 GLN A 68 8.141 -16.876 0.293 1.00 42.14 N ATOM 0 H GLN A 68 7.591 -10.551 1.719 1.00 10.21 H new ATOM 0 HA GLN A 68 8.958 -11.988 -0.475 1.00 61.20 H new ATOM 0 HB2 GLN A 68 9.034 -13.405 1.553 1.00 70.31 H new ATOM 0 HB3 GLN A 68 7.304 -13.216 1.760 1.00 70.31 H new ATOM 0 HG2 GLN A 68 6.941 -14.331 -0.447 1.00 45.43 H new ATOM 0 HG3 GLN A 68 8.672 -14.561 -0.598 1.00 45.43 H new ATOM 0 HE21 GLN A 68 8.500 -16.829 -0.661 1.00 42.14 H new ATOM 0 HE22 GLN A 68 8.082 -17.775 0.772 1.00 42.14 H new ATOM 1052 N GLU A 69 6.702 -12.198 -1.686 1.00 52.11 N ATOM 1053 CA GLU A 69 5.526 -11.926 -2.507 1.00 74.35 C ATOM 1054 C GLU A 69 4.254 -12.487 -1.866 1.00 52.13 C ATOM 1055 O GLU A 69 4.034 -13.700 -1.825 1.00 32.14 O ATOM 1056 CB GLU A 69 5.718 -12.466 -3.925 1.00 54.20 C ATOM 1057 CG GLU A 69 6.905 -11.833 -4.649 1.00 51.10 C ATOM 1058 CD GLU A 69 8.257 -12.374 -4.199 1.00 53.24 C ATOM 1059 OE1 GLU A 69 8.324 -13.547 -3.773 1.00 4.30 O ATOM 1060 OE2 GLU A 69 9.260 -11.639 -4.285 1.00 33.01 O ATOM 0 H GLU A 69 7.394 -12.805 -2.124 1.00 52.11 H new ATOM 0 HA GLU A 69 5.406 -10.845 -2.571 1.00 74.35 H new ATOM 0 HB2 GLU A 69 5.860 -13.546 -3.881 1.00 54.20 H new ATOM 0 HB3 GLU A 69 4.810 -12.288 -4.502 1.00 54.20 H new ATOM 0 HG2 GLU A 69 6.796 -11.999 -5.721 1.00 51.10 H new ATOM 0 HG3 GLU A 69 6.884 -10.755 -4.489 1.00 51.10 H new ATOM 1067 N GLY A 70 3.422 -11.579 -1.366 1.00 2.33 N ATOM 1068 CA GLY A 70 2.225 -11.965 -0.623 1.00 72.13 C ATOM 1069 C GLY A 70 2.235 -11.474 0.825 1.00 2.41 C ATOM 1070 O GLY A 70 1.236 -11.601 1.534 1.00 10.23 O ATOM 0 H GLY A 70 3.553 -10.572 -1.461 1.00 2.33 H new ATOM 0 HA2 GLY A 70 1.346 -11.567 -1.130 1.00 72.13 H new ATOM 0 HA3 GLY A 70 2.133 -13.051 -0.632 1.00 72.13 H new ATOM 1074 N ASP A 71 3.370 -10.926 1.271 1.00 62.02 N ATOM 1075 CA ASP A 71 3.480 -10.355 2.624 1.00 14.42 C ATOM 1076 C ASP A 71 2.550 -9.146 2.816 1.00 3.40 C ATOM 1077 O ASP A 71 2.230 -8.429 1.864 1.00 71.50 O ATOM 1078 CB ASP A 71 4.931 -9.944 2.930 1.00 10.54 C ATOM 1079 CG ASP A 71 5.822 -11.113 3.324 1.00 43.32 C ATOM 1080 OD1 ASP A 71 5.334 -12.265 3.358 1.00 50.41 O ATOM 1081 OD2 ASP A 71 7.014 -10.875 3.622 1.00 33.30 O ATOM 0 H ASP A 71 4.225 -10.864 0.719 1.00 62.02 H new ATOM 0 HA ASP A 71 3.172 -11.135 3.321 1.00 14.42 H new ATOM 0 HB2 ASP A 71 5.354 -9.454 2.053 1.00 10.54 H new ATOM 0 HB3 ASP A 71 4.930 -9.210 3.736 1.00 10.54 H new ATOM 1086 N ARG A 72 2.133 -8.928 4.059 1.00 32.20 N ATOM 1087 CA ARG A 72 1.247 -7.812 4.404 1.00 2.33 C ATOM 1088 C ARG A 72 2.057 -6.567 4.794 1.00 3.43 C ATOM 1089 O ARG A 72 2.752 -6.558 5.817 1.00 2.23 O ATOM 1090 CB ARG A 72 0.339 -8.219 5.566 1.00 71.21 C ATOM 1091 CG ARG A 72 -0.345 -9.568 5.369 1.00 4.30 C ATOM 1092 CD ARG A 72 -0.946 -10.072 6.676 1.00 10.42 C ATOM 1093 NE ARG A 72 0.005 -9.936 7.778 1.00 34.42 N ATOM 1094 CZ ARG A 72 0.875 -10.848 8.124 1.00 22.34 C ATOM 1095 NH1 ARG A 72 0.877 -12.010 7.560 1.00 23.23 N ATOM 1096 NH2 ARG A 72 1.745 -10.591 9.046 1.00 14.15 N ATOM 0 H ARG A 72 2.395 -9.512 4.853 1.00 32.20 H new ATOM 0 HA ARG A 72 0.643 -7.569 3.530 1.00 2.33 H new ATOM 0 HB2 ARG A 72 0.929 -8.252 6.482 1.00 71.21 H new ATOM 0 HB3 ARG A 72 -0.423 -7.452 5.705 1.00 71.21 H new ATOM 0 HG2 ARG A 72 -1.128 -9.476 4.616 1.00 4.30 H new ATOM 0 HG3 ARG A 72 0.376 -10.294 4.992 1.00 4.30 H new ATOM 0 HD2 ARG A 72 -1.853 -9.512 6.903 1.00 10.42 H new ATOM 0 HD3 ARG A 72 -1.235 -11.117 6.568 1.00 10.42 H new ATOM 0 HE ARG A 72 -0.012 -9.069 8.314 1.00 34.42 H new ATOM 0 HH11 ARG A 72 0.194 -12.226 6.834 1.00 23.23 H new ATOM 0 HH12 ARG A 72 1.562 -12.712 7.840 1.00 23.23 H new ATOM 0 HH21 ARG A 72 1.751 -9.678 9.501 1.00 14.15 H new ATOM 0 HH22 ARG A 72 2.425 -11.301 9.318 1.00 14.15 H new ATOM 1110 N VAL A 73 1.969 -5.520 3.983 1.00 24.20 N ATOM 1111 CA VAL A 73 2.682 -4.268 4.252 1.00 74.55 C ATOM 1112 C VAL A 73 1.716 -3.110 4.542 1.00 42.54 C ATOM 1113 O VAL A 73 0.705 -2.937 3.858 1.00 65.14 O ATOM 1114 CB VAL A 73 3.610 -3.873 3.072 1.00 20.42 C ATOM 1115 CG1 VAL A 73 4.745 -4.883 2.920 1.00 32.20 C ATOM 1116 CG2 VAL A 73 2.819 -3.746 1.769 1.00 42.44 C ATOM 0 H VAL A 73 1.410 -5.509 3.130 1.00 24.20 H new ATOM 0 HA VAL A 73 3.290 -4.449 5.138 1.00 74.55 H new ATOM 0 HB VAL A 73 4.045 -2.899 3.296 1.00 20.42 H new ATOM 0 HG11 VAL A 73 5.385 -4.589 2.088 1.00 32.20 H new ATOM 0 HG12 VAL A 73 5.333 -4.910 3.837 1.00 32.20 H new ATOM 0 HG13 VAL A 73 4.329 -5.872 2.726 1.00 32.20 H new ATOM 0 HG21 VAL A 73 3.494 -3.468 0.959 1.00 42.44 H new ATOM 0 HG22 VAL A 73 2.346 -4.700 1.536 1.00 42.44 H new ATOM 0 HG23 VAL A 73 2.053 -2.979 1.882 1.00 42.44 H new ATOM 1126 N LYS A 74 2.024 -2.324 5.570 1.00 2.12 N ATOM 1127 CA LYS A 74 1.250 -1.124 5.875 1.00 73.44 C ATOM 1128 C LYS A 74 1.931 0.131 5.313 1.00 22.41 C ATOM 1129 O LYS A 74 3.159 0.215 5.240 1.00 11.01 O ATOM 1130 CB LYS A 74 1.027 -0.970 7.389 1.00 4.15 C ATOM 1131 CG LYS A 74 0.427 0.385 7.774 1.00 35.03 C ATOM 1132 CD LYS A 74 0.032 0.461 9.245 1.00 70.41 C ATOM 1133 CE LYS A 74 -1.226 -0.342 9.541 1.00 1.02 C ATOM 1134 NZ LYS A 74 -1.635 -0.219 10.961 1.00 74.43 N ATOM 0 H LYS A 74 2.803 -2.496 6.205 1.00 2.12 H new ATOM 0 HA LYS A 74 0.278 -1.237 5.395 1.00 73.44 H new ATOM 0 HB2 LYS A 74 0.366 -1.765 7.735 1.00 4.15 H new ATOM 0 HB3 LYS A 74 1.978 -1.099 7.905 1.00 4.15 H new ATOM 0 HG2 LYS A 74 1.149 1.172 7.555 1.00 35.03 H new ATOM 0 HG3 LYS A 74 -0.451 0.577 7.157 1.00 35.03 H new ATOM 0 HD2 LYS A 74 0.852 0.090 9.860 1.00 70.41 H new ATOM 0 HD3 LYS A 74 -0.129 1.502 9.524 1.00 70.41 H new ATOM 0 HE2 LYS A 74 -2.036 0.001 8.898 1.00 1.02 H new ATOM 0 HE3 LYS A 74 -1.052 -1.391 9.302 1.00 1.02 H new ATOM 0 HZ1 LYS A 74 -2.486 -0.793 11.128 1.00 74.43 H new ATOM 0 HZ2 LYS A 74 -0.865 -0.554 11.574 1.00 74.43 H new ATOM 0 HZ3 LYS A 74 -1.842 0.777 11.178 1.00 74.43 H new ATOM 1148 N VAL A 75 1.113 1.100 4.928 1.00 34.13 N ATOM 1149 CA VAL A 75 1.586 2.375 4.394 1.00 53.30 C ATOM 1150 C VAL A 75 1.041 3.521 5.253 1.00 43.44 C ATOM 1151 O VAL A 75 -0.150 3.551 5.563 1.00 65.24 O ATOM 1152 CB VAL A 75 1.142 2.580 2.922 1.00 21.24 C ATOM 1153 CG1 VAL A 75 1.685 3.897 2.366 1.00 60.30 C ATOM 1154 CG2 VAL A 75 1.578 1.399 2.053 1.00 4.34 C ATOM 0 H VAL A 75 0.097 1.026 4.976 1.00 34.13 H new ATOM 0 HA VAL A 75 2.676 2.367 4.420 1.00 53.30 H new ATOM 0 HB VAL A 75 0.053 2.631 2.902 1.00 21.24 H new ATOM 0 HG11 VAL A 75 1.360 4.017 1.333 1.00 60.30 H new ATOM 0 HG12 VAL A 75 1.309 4.727 2.964 1.00 60.30 H new ATOM 0 HG13 VAL A 75 2.774 3.887 2.405 1.00 60.30 H new ATOM 0 HG21 VAL A 75 1.256 1.565 1.025 1.00 4.34 H new ATOM 0 HG22 VAL A 75 2.664 1.307 2.082 1.00 4.34 H new ATOM 0 HG23 VAL A 75 1.126 0.482 2.431 1.00 4.34 H new ATOM 1164 N LYS A 76 1.908 4.445 5.647 1.00 54.11 N ATOM 1165 CA LYS A 76 1.520 5.544 6.540 1.00 43.23 C ATOM 1166 C LYS A 76 1.862 6.916 5.939 1.00 21.04 C ATOM 1167 O LYS A 76 3.005 7.175 5.558 1.00 11.20 O ATOM 1168 CB LYS A 76 2.217 5.365 7.898 1.00 22.41 C ATOM 1169 CG LYS A 76 1.616 4.252 8.764 1.00 31.23 C ATOM 1170 CD LYS A 76 2.690 3.449 9.498 1.00 1.23 C ATOM 1171 CE LYS A 76 2.152 2.802 10.771 1.00 65.31 C ATOM 1172 NZ LYS A 76 3.210 2.096 11.548 1.00 61.53 N ATOM 0 H LYS A 76 2.888 4.460 5.365 1.00 54.11 H new ATOM 0 HA LYS A 76 0.439 5.512 6.673 1.00 43.23 H new ATOM 0 HB2 LYS A 76 3.272 5.150 7.728 1.00 22.41 H new ATOM 0 HB3 LYS A 76 2.168 6.305 8.447 1.00 22.41 H new ATOM 0 HG2 LYS A 76 0.931 4.689 9.491 1.00 31.23 H new ATOM 0 HG3 LYS A 76 1.029 3.582 8.136 1.00 31.23 H new ATOM 0 HD2 LYS A 76 3.080 2.676 8.836 1.00 1.23 H new ATOM 0 HD3 LYS A 76 3.524 4.104 9.749 1.00 1.23 H new ATOM 0 HE2 LYS A 76 1.696 3.568 11.398 1.00 65.31 H new ATOM 0 HE3 LYS A 76 1.365 2.094 10.510 1.00 65.31 H new ATOM 0 HZ1 LYS A 76 3.046 2.237 12.565 1.00 61.53 H new ATOM 0 HZ2 LYS A 76 3.181 1.079 11.330 1.00 61.53 H new ATOM 0 HZ3 LYS A 76 4.143 2.478 11.291 1.00 61.53 H new ATOM 1186 N THR A 77 0.857 7.783 5.847 1.00 64.14 N ATOM 1187 CA THR A 77 1.040 9.161 5.357 1.00 64.51 C ATOM 1188 C THR A 77 0.233 10.149 6.207 1.00 43.03 C ATOM 1189 O THR A 77 -0.339 9.782 7.235 1.00 75.34 O ATOM 1190 CB THR A 77 0.584 9.329 3.885 1.00 51.33 C ATOM 1191 OG1 THR A 77 -0.848 9.275 3.807 1.00 73.22 O ATOM 1192 CG2 THR A 77 1.185 8.258 2.979 1.00 24.11 C ATOM 0 H THR A 77 -0.104 7.560 6.106 1.00 64.14 H new ATOM 0 HA THR A 77 2.108 9.367 5.428 1.00 64.51 H new ATOM 0 HB THR A 77 0.939 10.300 3.540 1.00 51.33 H new ATOM 0 HG1 THR A 77 -1.127 9.341 2.870 1.00 73.22 H new ATOM 0 HG21 THR A 77 0.841 8.411 1.956 1.00 24.11 H new ATOM 0 HG22 THR A 77 2.273 8.324 3.009 1.00 24.11 H new ATOM 0 HG23 THR A 77 0.872 7.272 3.323 1.00 24.11 H new ATOM 1200 N GLU A 78 0.177 11.404 5.768 1.00 4.13 N ATOM 1201 CA GLU A 78 -0.629 12.430 6.445 1.00 5.22 C ATOM 1202 C GLU A 78 -2.139 12.177 6.260 1.00 11.33 C ATOM 1203 O GLU A 78 -2.968 12.736 6.981 1.00 73.31 O ATOM 1204 CB GLU A 78 -0.270 13.824 5.911 1.00 73.34 C ATOM 1205 CG GLU A 78 -0.611 14.027 4.438 1.00 64.01 C ATOM 1206 CD GLU A 78 -0.301 15.433 3.953 1.00 32.22 C ATOM 1207 OE1 GLU A 78 -1.148 16.333 4.145 1.00 41.32 O ATOM 1208 OE2 GLU A 78 0.794 15.648 3.389 1.00 64.45 O ATOM 0 H GLU A 78 0.679 11.740 4.946 1.00 4.13 H new ATOM 0 HA GLU A 78 -0.403 12.377 7.510 1.00 5.22 H new ATOM 0 HB2 GLU A 78 -0.794 14.575 6.502 1.00 73.34 H new ATOM 0 HB3 GLU A 78 0.797 13.994 6.054 1.00 73.34 H new ATOM 0 HG2 GLU A 78 -0.053 13.309 3.838 1.00 64.01 H new ATOM 0 HG3 GLU A 78 -1.669 13.818 4.282 1.00 64.01 H new ATOM 1215 N PHE A 79 -2.494 11.338 5.286 1.00 63.34 N ATOM 1216 CA PHE A 79 -3.903 11.030 4.998 1.00 72.21 C ATOM 1217 C PHE A 79 -4.419 9.839 5.826 1.00 5.33 C ATOM 1218 O PHE A 79 -5.628 9.677 6.006 1.00 0.13 O ATOM 1219 CB PHE A 79 -4.091 10.762 3.497 1.00 3.11 C ATOM 1220 CG PHE A 79 -3.807 11.968 2.634 1.00 75.23 C ATOM 1221 CD1 PHE A 79 -4.750 12.981 2.507 1.00 52.32 C ATOM 1222 CD2 PHE A 79 -2.600 12.097 1.959 1.00 72.22 C ATOM 1223 CE1 PHE A 79 -4.494 14.093 1.725 1.00 20.33 C ATOM 1224 CE2 PHE A 79 -2.342 13.207 1.178 1.00 51.21 C ATOM 1225 CZ PHE A 79 -3.288 14.206 1.061 1.00 33.53 C ATOM 0 H PHE A 79 -1.828 10.858 4.681 1.00 63.34 H new ATOM 0 HA PHE A 79 -4.493 11.901 5.285 1.00 72.21 H new ATOM 0 HB2 PHE A 79 -3.434 9.946 3.196 1.00 3.11 H new ATOM 0 HB3 PHE A 79 -5.114 10.430 3.320 1.00 3.11 H new ATOM 0 HD1 PHE A 79 -5.694 12.899 3.025 1.00 52.32 H new ATOM 0 HD2 PHE A 79 -1.854 11.320 2.046 1.00 72.22 H new ATOM 0 HE1 PHE A 79 -5.236 14.872 1.634 1.00 20.33 H new ATOM 0 HE2 PHE A 79 -1.399 13.293 0.658 1.00 51.21 H new ATOM 0 HZ PHE A 79 -3.085 15.074 0.451 1.00 33.53 H new ATOM 1235 N GLY A 80 -3.501 9.010 6.317 1.00 31.34 N ATOM 1236 CA GLY A 80 -3.876 7.874 7.154 1.00 24.44 C ATOM 1237 C GLY A 80 -2.953 6.674 6.972 1.00 33.24 C ATOM 1238 O GLY A 80 -1.773 6.829 6.649 1.00 73.11 O ATOM 0 H GLY A 80 -2.499 9.103 6.151 1.00 31.34 H new ATOM 0 HA2 GLY A 80 -3.864 8.180 8.200 1.00 24.44 H new ATOM 0 HA3 GLY A 80 -4.899 7.578 6.920 1.00 24.44 H new ATOM 1242 N GLU A 81 -3.492 5.477 7.190 1.00 44.10 N ATOM 1243 CA GLU A 81 -2.723 4.236 7.036 1.00 13.22 C ATOM 1244 C GLU A 81 -3.590 3.091 6.486 1.00 12.11 C ATOM 1245 O GLU A 81 -4.797 3.027 6.737 1.00 1.22 O ATOM 1246 CB GLU A 81 -2.102 3.809 8.375 1.00 3.50 C ATOM 1247 CG GLU A 81 -3.117 3.626 9.504 1.00 52.31 C ATOM 1248 CD GLU A 81 -2.541 2.902 10.714 1.00 42.22 C ATOM 1249 OE1 GLU A 81 -1.405 3.212 11.124 1.00 10.32 O ATOM 1250 OE2 GLU A 81 -3.215 1.994 11.248 1.00 32.10 O ATOM 0 H GLU A 81 -4.461 5.336 7.475 1.00 44.10 H new ATOM 0 HA GLU A 81 -1.929 4.442 6.318 1.00 13.22 H new ATOM 0 HB2 GLU A 81 -1.562 2.873 8.231 1.00 3.50 H new ATOM 0 HB3 GLU A 81 -1.369 4.556 8.678 1.00 3.50 H new ATOM 0 HG2 GLU A 81 -3.486 4.603 9.815 1.00 52.31 H new ATOM 0 HG3 GLU A 81 -3.974 3.067 9.127 1.00 52.31 H new ATOM 1257 N VAL A 82 -2.961 2.181 5.743 1.00 40.24 N ATOM 1258 CA VAL A 82 -3.662 1.026 5.167 1.00 42.21 C ATOM 1259 C VAL A 82 -2.731 -0.201 5.068 1.00 11.42 C ATOM 1260 O VAL A 82 -1.523 -0.055 4.885 1.00 33.45 O ATOM 1261 CB VAL A 82 -4.229 1.367 3.762 1.00 71.25 C ATOM 1262 CG1 VAL A 82 -3.101 1.633 2.763 1.00 3.23 C ATOM 1263 CG2 VAL A 82 -5.169 0.268 3.257 1.00 74.43 C ATOM 0 H VAL A 82 -1.966 2.218 5.524 1.00 40.24 H new ATOM 0 HA VAL A 82 -4.489 0.782 5.834 1.00 42.21 H new ATOM 0 HB VAL A 82 -4.815 2.282 3.855 1.00 71.25 H new ATOM 0 HG11 VAL A 82 -3.527 1.869 1.788 1.00 3.23 H new ATOM 0 HG12 VAL A 82 -2.499 2.473 3.109 1.00 3.23 H new ATOM 0 HG13 VAL A 82 -2.472 0.746 2.679 1.00 3.23 H new ATOM 0 HG21 VAL A 82 -5.548 0.538 2.271 1.00 74.43 H new ATOM 0 HG22 VAL A 82 -4.625 -0.674 3.191 1.00 74.43 H new ATOM 0 HG23 VAL A 82 -6.004 0.157 3.949 1.00 74.43 H new ATOM 1273 N VAL A 83 -3.297 -1.404 5.201 1.00 24.55 N ATOM 1274 CA VAL A 83 -2.518 -2.652 5.097 1.00 52.34 C ATOM 1275 C VAL A 83 -2.874 -3.415 3.805 1.00 42.22 C ATOM 1276 O VAL A 83 -4.026 -3.812 3.612 1.00 1.11 O ATOM 1277 CB VAL A 83 -2.756 -3.581 6.324 1.00 12.24 C ATOM 1278 CG1 VAL A 83 -1.808 -4.780 6.300 1.00 31.23 C ATOM 1279 CG2 VAL A 83 -2.607 -2.812 7.636 1.00 34.32 C ATOM 0 H VAL A 83 -4.291 -1.545 5.381 1.00 24.55 H new ATOM 0 HA VAL A 83 -1.466 -2.369 5.073 1.00 52.34 H new ATOM 0 HB VAL A 83 -3.779 -3.952 6.259 1.00 12.24 H new ATOM 0 HG11 VAL A 83 -1.997 -5.411 7.169 1.00 31.23 H new ATOM 0 HG12 VAL A 83 -1.973 -5.356 5.390 1.00 31.23 H new ATOM 0 HG13 VAL A 83 -0.776 -4.429 6.324 1.00 31.23 H new ATOM 0 HG21 VAL A 83 -2.779 -3.487 8.475 1.00 34.32 H new ATOM 0 HG22 VAL A 83 -1.601 -2.399 7.703 1.00 34.32 H new ATOM 0 HG23 VAL A 83 -3.335 -2.001 7.667 1.00 34.32 H new ATOM 1289 N VAL A 84 -1.883 -3.607 2.927 1.00 72.40 N ATOM 1290 CA VAL A 84 -2.089 -4.271 1.624 1.00 31.43 C ATOM 1291 C VAL A 84 -1.075 -5.410 1.391 1.00 40.41 C ATOM 1292 O VAL A 84 -0.203 -5.660 2.222 1.00 23.31 O ATOM 1293 CB VAL A 84 -1.966 -3.256 0.454 1.00 0.24 C ATOM 1294 CG1 VAL A 84 -3.016 -2.153 0.571 1.00 11.34 C ATOM 1295 CG2 VAL A 84 -0.556 -2.661 0.393 1.00 24.20 C ATOM 0 H VAL A 84 -0.921 -3.311 3.093 1.00 72.40 H new ATOM 0 HA VAL A 84 -3.095 -4.690 1.649 1.00 31.43 H new ATOM 0 HB VAL A 84 -2.147 -3.795 -0.476 1.00 0.24 H new ATOM 0 HG11 VAL A 84 -2.907 -1.457 -0.261 1.00 11.34 H new ATOM 0 HG12 VAL A 84 -4.012 -2.595 0.546 1.00 11.34 H new ATOM 0 HG13 VAL A 84 -2.880 -1.619 1.511 1.00 11.34 H new ATOM 0 HG21 VAL A 84 -0.495 -1.954 -0.434 1.00 24.20 H new ATOM 0 HG22 VAL A 84 -0.338 -2.145 1.328 1.00 24.20 H new ATOM 0 HG23 VAL A 84 0.170 -3.460 0.241 1.00 24.20 H new ATOM 1305 N PHE A 85 -1.197 -6.101 0.254 1.00 33.43 N ATOM 1306 CA PHE A 85 -0.232 -7.142 -0.134 1.00 73.12 C ATOM 1307 C PHE A 85 1.007 -6.535 -0.814 1.00 11.43 C ATOM 1308 O PHE A 85 0.914 -5.540 -1.536 1.00 71.24 O ATOM 1309 CB PHE A 85 -0.879 -8.164 -1.083 1.00 23.44 C ATOM 1310 CG PHE A 85 -1.930 -9.033 -0.437 1.00 30.33 C ATOM 1311 CD1 PHE A 85 -1.562 -10.076 0.402 1.00 52.22 C ATOM 1312 CD2 PHE A 85 -3.280 -8.820 -0.681 1.00 13.35 C ATOM 1313 CE1 PHE A 85 -2.519 -10.885 0.986 1.00 41.24 C ATOM 1314 CE2 PHE A 85 -4.240 -9.626 -0.098 1.00 43.53 C ATOM 1315 CZ PHE A 85 -3.858 -10.659 0.733 1.00 12.10 C ATOM 0 H PHE A 85 -1.953 -5.961 -0.416 1.00 33.43 H new ATOM 0 HA PHE A 85 0.080 -7.645 0.781 1.00 73.12 H new ATOM 0 HB2 PHE A 85 -1.330 -7.631 -1.920 1.00 23.44 H new ATOM 0 HB3 PHE A 85 -0.099 -8.804 -1.496 1.00 23.44 H new ATOM 0 HD1 PHE A 85 -0.516 -10.258 0.601 1.00 52.22 H new ATOM 0 HD2 PHE A 85 -3.584 -8.015 -1.334 1.00 13.35 H new ATOM 0 HE1 PHE A 85 -2.220 -11.692 1.639 1.00 41.24 H new ATOM 0 HE2 PHE A 85 -5.287 -9.447 -0.293 1.00 43.53 H new ATOM 0 HZ PHE A 85 -4.607 -11.292 1.186 1.00 12.10 H new ATOM 1325 N ALA A 86 2.163 -7.147 -0.593 1.00 70.54 N ATOM 1326 CA ALA A 86 3.416 -6.664 -1.176 1.00 65.11 C ATOM 1327 C ALA A 86 3.796 -7.430 -2.455 1.00 4.40 C ATOM 1328 O ALA A 86 3.854 -8.662 -2.461 1.00 22.02 O ATOM 1329 CB ALA A 86 4.537 -6.772 -0.151 1.00 73.10 C ATOM 0 H ALA A 86 2.263 -7.981 -0.014 1.00 70.54 H new ATOM 0 HA ALA A 86 3.268 -5.621 -1.455 1.00 65.11 H new ATOM 0 HB1 ALA A 86 5.467 -6.411 -0.590 1.00 73.10 H new ATOM 0 HB2 ALA A 86 4.290 -6.169 0.723 1.00 73.10 H new ATOM 0 HB3 ALA A 86 4.657 -7.813 0.149 1.00 73.10 H new ATOM 1335 N LYS A 87 4.054 -6.690 -3.536 1.00 3.15 N ATOM 1336 CA LYS A 87 4.572 -7.272 -4.785 1.00 3.42 C ATOM 1337 C LYS A 87 5.803 -6.504 -5.269 1.00 42.31 C ATOM 1338 O LYS A 87 5.886 -5.283 -5.144 1.00 61.02 O ATOM 1339 CB LYS A 87 3.499 -7.287 -5.888 1.00 72.33 C ATOM 1340 CG LYS A 87 2.252 -8.093 -5.553 1.00 34.15 C ATOM 1341 CD LYS A 87 1.365 -8.271 -6.784 1.00 21.02 C ATOM 1342 CE LYS A 87 0.030 -8.904 -6.431 1.00 13.34 C ATOM 1343 NZ LYS A 87 -0.768 -9.250 -7.642 1.00 30.13 N ATOM 0 H LYS A 87 3.913 -5.681 -3.575 1.00 3.15 H new ATOM 0 HA LYS A 87 4.856 -8.302 -4.571 1.00 3.42 H new ATOM 0 HB2 LYS A 87 3.204 -6.260 -6.103 1.00 72.33 H new ATOM 0 HB3 LYS A 87 3.941 -7.689 -6.800 1.00 72.33 H new ATOM 0 HG2 LYS A 87 2.540 -9.070 -5.164 1.00 34.15 H new ATOM 0 HG3 LYS A 87 1.690 -7.590 -4.766 1.00 34.15 H new ATOM 0 HD2 LYS A 87 1.195 -7.302 -7.253 1.00 21.02 H new ATOM 0 HD3 LYS A 87 1.880 -8.893 -7.516 1.00 21.02 H new ATOM 0 HE2 LYS A 87 0.202 -9.805 -5.842 1.00 13.34 H new ATOM 0 HE3 LYS A 87 -0.541 -8.218 -5.806 1.00 13.34 H new ATOM 0 HZ1 LYS A 87 -1.670 -9.679 -7.352 1.00 30.13 H new ATOM 0 HZ2 LYS A 87 -0.955 -8.388 -8.192 1.00 30.13 H new ATOM 0 HZ3 LYS A 87 -0.236 -9.925 -8.227 1.00 30.13 H new ATOM 1357 N LYS A 88 6.761 -7.241 -5.808 1.00 63.04 N ATOM 1358 CA LYS A 88 8.027 -6.666 -6.241 1.00 11.24 C ATOM 1359 C LYS A 88 7.876 -5.941 -7.590 1.00 21.43 C ATOM 1360 O LYS A 88 7.452 -6.538 -8.583 1.00 25.13 O ATOM 1361 CB LYS A 88 9.074 -7.777 -6.337 1.00 43.11 C ATOM 1362 CG LYS A 88 10.495 -7.252 -6.388 1.00 3.23 C ATOM 1363 CD LYS A 88 11.524 -8.376 -6.495 1.00 13.33 C ATOM 1364 CE LYS A 88 11.523 -9.276 -5.264 1.00 35.02 C ATOM 1365 NZ LYS A 88 12.527 -10.365 -5.373 1.00 11.01 N ATOM 0 H LYS A 88 6.686 -8.247 -5.957 1.00 63.04 H new ATOM 0 HA LYS A 88 8.349 -5.925 -5.509 1.00 11.24 H new ATOM 0 HB2 LYS A 88 8.969 -8.442 -5.480 1.00 43.11 H new ATOM 0 HB3 LYS A 88 8.881 -8.374 -7.229 1.00 43.11 H new ATOM 0 HG2 LYS A 88 10.602 -6.582 -7.241 1.00 3.23 H new ATOM 0 HG3 LYS A 88 10.695 -6.663 -5.493 1.00 3.23 H new ATOM 0 HD2 LYS A 88 11.315 -8.975 -7.381 1.00 13.33 H new ATOM 0 HD3 LYS A 88 12.517 -7.946 -6.628 1.00 13.33 H new ATOM 0 HE2 LYS A 88 11.731 -8.678 -4.377 1.00 35.02 H new ATOM 0 HE3 LYS A 88 10.531 -9.708 -5.131 1.00 35.02 H new ATOM 0 HZ1 LYS A 88 12.627 -10.838 -4.452 1.00 11.01 H new ATOM 0 HZ2 LYS A 88 12.214 -11.056 -6.085 1.00 11.01 H new ATOM 0 HZ3 LYS A 88 13.444 -9.965 -5.658 1.00 11.01 H new ATOM 1379 N GLY A 89 8.228 -4.657 -7.620 1.00 72.33 N ATOM 1380 CA GLY A 89 8.074 -3.855 -8.831 1.00 33.24 C ATOM 1381 C GLY A 89 9.362 -3.159 -9.269 1.00 12.35 C ATOM 1382 O GLY A 89 10.317 -3.057 -8.501 1.00 23.40 O ATOM 0 H GLY A 89 8.619 -4.153 -6.825 1.00 72.33 H new ATOM 0 HA2 GLY A 89 7.724 -4.496 -9.640 1.00 33.24 H new ATOM 0 HA3 GLY A 89 7.303 -3.103 -8.664 1.00 33.24 H new ATOM 1386 N ASP A 90 9.373 -2.655 -10.503 1.00 42.40 N ATOM 1387 CA ASP A 90 10.563 -2.002 -11.073 1.00 11.11 C ATOM 1388 C ASP A 90 10.649 -0.505 -10.707 1.00 54.43 C ATOM 1389 O ASP A 90 11.430 0.243 -11.301 1.00 40.13 O ATOM 1390 CB ASP A 90 10.550 -2.168 -12.595 1.00 51.40 C ATOM 1391 CG ASP A 90 10.528 -3.628 -13.002 1.00 34.13 C ATOM 1392 OD1 ASP A 90 11.614 -4.232 -13.135 1.00 44.11 O ATOM 1393 OD2 ASP A 90 9.422 -4.189 -13.171 1.00 54.21 O ATOM 0 H ASP A 90 8.571 -2.684 -11.133 1.00 42.40 H new ATOM 0 HA ASP A 90 11.442 -2.485 -10.646 1.00 11.11 H new ATOM 0 HB2 ASP A 90 9.677 -1.662 -13.008 1.00 51.40 H new ATOM 0 HB3 ASP A 90 11.430 -1.685 -13.021 1.00 51.40 H new ATOM 1398 N VAL A 91 9.866 -0.086 -9.718 1.00 60.43 N ATOM 1399 CA VAL A 91 9.841 1.317 -9.273 1.00 21.41 C ATOM 1400 C VAL A 91 11.186 1.751 -8.645 1.00 4.41 C ATOM 1401 O VAL A 91 11.949 0.916 -8.160 1.00 5.15 O ATOM 1402 CB VAL A 91 8.698 1.544 -8.249 1.00 34.24 C ATOM 1403 CG1 VAL A 91 7.336 1.291 -8.895 1.00 44.43 C ATOM 1404 CG2 VAL A 91 8.886 0.655 -7.018 1.00 14.25 C ATOM 0 H VAL A 91 9.234 -0.697 -9.202 1.00 60.43 H new ATOM 0 HA VAL A 91 9.667 1.927 -10.159 1.00 21.41 H new ATOM 0 HB VAL A 91 8.735 2.584 -7.925 1.00 34.24 H new ATOM 0 HG11 VAL A 91 6.548 1.456 -8.160 1.00 44.43 H new ATOM 0 HG12 VAL A 91 7.198 1.974 -9.733 1.00 44.43 H new ATOM 0 HG13 VAL A 91 7.289 0.263 -9.253 1.00 44.43 H new ATOM 0 HG21 VAL A 91 8.073 0.832 -6.314 1.00 14.25 H new ATOM 0 HG22 VAL A 91 8.883 -0.392 -7.321 1.00 14.25 H new ATOM 0 HG23 VAL A 91 9.837 0.891 -6.540 1.00 14.25 H new ATOM 1414 N PRO A 92 11.508 3.067 -8.667 1.00 13.10 N ATOM 1415 CA PRO A 92 12.740 3.595 -8.041 1.00 24.31 C ATOM 1416 C PRO A 92 12.757 3.403 -6.512 1.00 72.50 C ATOM 1417 O PRO A 92 11.710 3.405 -5.869 1.00 25.13 O ATOM 1418 CB PRO A 92 12.715 5.091 -8.403 1.00 35.12 C ATOM 1419 CG PRO A 92 11.285 5.391 -8.700 1.00 10.31 C ATOM 1420 CD PRO A 92 10.719 4.136 -9.306 1.00 34.51 C ATOM 0 HA PRO A 92 13.630 3.074 -8.395 1.00 24.31 H new ATOM 0 HB2 PRO A 92 13.084 5.703 -7.580 1.00 35.12 H new ATOM 0 HB3 PRO A 92 13.349 5.300 -9.264 1.00 35.12 H new ATOM 0 HG2 PRO A 92 10.746 5.664 -7.793 1.00 10.31 H new ATOM 0 HG3 PRO A 92 11.197 6.232 -9.388 1.00 10.31 H new ATOM 0 HD2 PRO A 92 9.655 4.032 -9.095 1.00 34.51 H new ATOM 0 HD3 PRO A 92 10.832 4.126 -10.390 1.00 34.51 H new ATOM 1428 N LYS A 93 13.951 3.240 -5.932 1.00 63.13 N ATOM 1429 CA LYS A 93 14.068 2.983 -4.489 1.00 4.24 C ATOM 1430 C LYS A 93 13.552 4.172 -3.660 1.00 64.55 C ATOM 1431 O LYS A 93 13.745 5.332 -4.033 1.00 40.52 O ATOM 1432 CB LYS A 93 15.518 2.668 -4.097 1.00 14.32 C ATOM 1433 CG LYS A 93 15.644 2.203 -2.652 1.00 32.10 C ATOM 1434 CD LYS A 93 17.084 1.980 -2.219 1.00 63.11 C ATOM 1435 CE LYS A 93 17.147 1.379 -0.820 1.00 15.44 C ATOM 1436 NZ LYS A 93 16.400 2.196 0.178 1.00 52.23 N ATOM 0 H LYS A 93 14.840 3.280 -6.430 1.00 63.13 H new ATOM 0 HA LYS A 93 13.448 2.114 -4.270 1.00 4.24 H new ATOM 0 HB2 LYS A 93 15.910 1.896 -4.759 1.00 14.32 H new ATOM 0 HB3 LYS A 93 16.132 3.557 -4.244 1.00 14.32 H new ATOM 0 HG2 LYS A 93 15.185 2.944 -1.997 1.00 32.10 H new ATOM 0 HG3 LYS A 93 15.085 1.276 -2.525 1.00 32.10 H new ATOM 0 HD2 LYS A 93 17.582 1.317 -2.926 1.00 63.11 H new ATOM 0 HD3 LYS A 93 17.624 2.927 -2.236 1.00 63.11 H new ATOM 0 HE2 LYS A 93 16.736 0.370 -0.841 1.00 15.44 H new ATOM 0 HE3 LYS A 93 18.188 1.293 -0.510 1.00 15.44 H new ATOM 0 HZ1 LYS A 93 16.672 1.905 1.139 1.00 52.23 H new ATOM 0 HZ2 LYS A 93 16.628 3.202 0.043 1.00 52.23 H new ATOM 0 HZ3 LYS A 93 15.378 2.052 0.049 1.00 52.23 H new ATOM 1450 N GLY A 94 12.922 3.877 -2.522 1.00 5.33 N ATOM 1451 CA GLY A 94 12.290 4.919 -1.717 1.00 33.02 C ATOM 1452 C GLY A 94 11.025 5.487 -2.364 1.00 51.12 C ATOM 1453 O GLY A 94 10.598 6.602 -2.053 1.00 51.42 O ATOM 0 H GLY A 94 12.837 2.935 -2.141 1.00 5.33 H new ATOM 0 HA2 GLY A 94 12.040 4.512 -0.737 1.00 33.02 H new ATOM 0 HA3 GLY A 94 13.003 5.727 -1.554 1.00 33.02 H new ATOM 1457 N MET A 95 10.421 4.716 -3.264 1.00 14.13 N ATOM 1458 CA MET A 95 9.218 5.135 -3.978 1.00 60.04 C ATOM 1459 C MET A 95 8.410 3.902 -4.415 1.00 44.12 C ATOM 1460 O MET A 95 8.978 2.929 -4.900 1.00 41.20 O ATOM 1461 CB MET A 95 9.644 5.974 -5.188 1.00 34.25 C ATOM 1462 CG MET A 95 8.505 6.655 -5.915 1.00 11.11 C ATOM 1463 SD MET A 95 9.104 7.888 -7.090 1.00 1.05 S ATOM 1464 CE MET A 95 7.571 8.639 -7.624 1.00 72.21 C ATOM 0 H MET A 95 10.751 3.785 -3.519 1.00 14.13 H new ATOM 0 HA MET A 95 8.579 5.735 -3.330 1.00 60.04 H new ATOM 0 HB2 MET A 95 10.351 6.734 -4.856 1.00 34.25 H new ATOM 0 HB3 MET A 95 10.174 5.331 -5.891 1.00 34.25 H new ATOM 0 HG2 MET A 95 7.912 5.908 -6.442 1.00 11.11 H new ATOM 0 HG3 MET A 95 7.845 7.133 -5.191 1.00 11.11 H new ATOM 0 HE1 MET A 95 7.687 9.722 -7.651 1.00 72.21 H new ATOM 0 HE2 MET A 95 7.315 8.276 -8.620 1.00 72.21 H new ATOM 0 HE3 MET A 95 6.775 8.377 -6.927 1.00 72.21 H new ATOM 1474 N ILE A 96 7.084 3.937 -4.245 1.00 20.31 N ATOM 1475 CA ILE A 96 6.246 2.763 -4.540 1.00 12.22 C ATOM 1476 C ILE A 96 4.991 3.130 -5.345 1.00 2.43 C ATOM 1477 O ILE A 96 4.450 4.231 -5.225 1.00 33.24 O ATOM 1478 CB ILE A 96 5.803 2.019 -3.246 1.00 1.34 C ATOM 1479 CG1 ILE A 96 4.950 2.936 -2.350 1.00 32.23 C ATOM 1480 CG2 ILE A 96 7.017 1.499 -2.476 1.00 32.44 C ATOM 1481 CD1 ILE A 96 4.383 2.245 -1.123 1.00 60.41 C ATOM 0 H ILE A 96 6.571 4.752 -3.910 1.00 20.31 H new ATOM 0 HA ILE A 96 6.875 2.104 -5.139 1.00 12.22 H new ATOM 0 HB ILE A 96 5.192 1.166 -3.542 1.00 1.34 H new ATOM 0 HG12 ILE A 96 5.558 3.782 -2.030 1.00 32.23 H new ATOM 0 HG13 ILE A 96 4.127 3.340 -2.940 1.00 32.23 H new ATOM 0 HG21 ILE A 96 6.683 0.983 -1.576 1.00 32.44 H new ATOM 0 HG22 ILE A 96 7.577 0.807 -3.105 1.00 32.44 H new ATOM 0 HG23 ILE A 96 7.657 2.336 -2.198 1.00 32.44 H new ATOM 0 HD11 ILE A 96 3.795 2.957 -0.544 1.00 60.41 H new ATOM 0 HD12 ILE A 96 3.747 1.416 -1.434 1.00 60.41 H new ATOM 0 HD13 ILE A 96 5.200 1.865 -0.509 1.00 60.41 H new ATOM 1493 N PHE A 97 4.529 2.188 -6.157 1.00 70.41 N ATOM 1494 CA PHE A 97 3.318 2.375 -6.963 1.00 4.41 C ATOM 1495 C PHE A 97 2.149 1.559 -6.390 1.00 25.20 C ATOM 1496 O PHE A 97 2.284 0.362 -6.135 1.00 45.22 O ATOM 1497 CB PHE A 97 3.580 1.954 -8.419 1.00 75.25 C ATOM 1498 CG PHE A 97 2.372 2.080 -9.320 1.00 11.24 C ATOM 1499 CD1 PHE A 97 1.472 1.029 -9.457 1.00 5.33 C ATOM 1500 CD2 PHE A 97 2.134 3.251 -10.025 1.00 74.42 C ATOM 1501 CE1 PHE A 97 0.366 1.145 -10.276 1.00 62.02 C ATOM 1502 CE2 PHE A 97 1.029 3.370 -10.846 1.00 53.01 C ATOM 1503 CZ PHE A 97 0.145 2.314 -10.971 1.00 70.00 C ATOM 0 H PHE A 97 4.975 1.279 -6.279 1.00 70.41 H new ATOM 0 HA PHE A 97 3.051 3.432 -6.936 1.00 4.41 H new ATOM 0 HB2 PHE A 97 4.388 2.564 -8.823 1.00 75.25 H new ATOM 0 HB3 PHE A 97 3.924 0.920 -8.432 1.00 75.25 H new ATOM 0 HD1 PHE A 97 1.640 0.110 -8.916 1.00 5.33 H new ATOM 0 HD2 PHE A 97 2.821 4.079 -9.931 1.00 74.42 H new ATOM 0 HE1 PHE A 97 -0.325 0.320 -10.372 1.00 62.02 H new ATOM 0 HE2 PHE A 97 0.856 4.287 -11.390 1.00 53.01 H new ATOM 0 HZ PHE A 97 -0.718 2.406 -11.613 1.00 70.00 H new ATOM 1513 N ILE A 98 1.005 2.207 -6.187 1.00 30.42 N ATOM 1514 CA ILE A 98 -0.210 1.510 -5.750 1.00 23.14 C ATOM 1515 C ILE A 98 -1.369 1.774 -6.728 1.00 50.31 C ATOM 1516 O ILE A 98 -1.593 2.913 -7.144 1.00 23.21 O ATOM 1517 CB ILE A 98 -0.635 1.939 -4.316 1.00 10.31 C ATOM 1518 CG1 ILE A 98 0.489 1.625 -3.310 1.00 33.24 C ATOM 1519 CG2 ILE A 98 -1.939 1.246 -3.901 1.00 42.34 C ATOM 1520 CD1 ILE A 98 0.127 1.908 -1.863 1.00 25.12 C ATOM 0 H ILE A 98 0.890 3.212 -6.317 1.00 30.42 H new ATOM 0 HA ILE A 98 0.019 0.444 -5.737 1.00 23.14 H new ATOM 0 HB ILE A 98 -0.811 3.015 -4.318 1.00 10.31 H new ATOM 0 HG12 ILE A 98 0.763 0.574 -3.405 1.00 33.24 H new ATOM 0 HG13 ILE A 98 1.370 2.210 -3.573 1.00 33.24 H new ATOM 0 HG21 ILE A 98 -2.215 1.562 -2.895 1.00 42.34 H new ATOM 0 HG22 ILE A 98 -2.733 1.517 -4.597 1.00 42.34 H new ATOM 0 HG23 ILE A 98 -1.797 0.165 -3.915 1.00 42.34 H new ATOM 0 HD11 ILE A 98 0.972 1.660 -1.221 1.00 25.12 H new ATOM 0 HD12 ILE A 98 -0.118 2.964 -1.749 1.00 25.12 H new ATOM 0 HD13 ILE A 98 -0.734 1.303 -1.578 1.00 25.12 H new ATOM 1532 N PRO A 99 -2.092 0.722 -7.155 1.00 42.44 N ATOM 1533 CA PRO A 99 -3.301 0.884 -7.979 1.00 1.55 C ATOM 1534 C PRO A 99 -4.366 1.761 -7.285 1.00 34.03 C ATOM 1535 O PRO A 99 -4.728 1.519 -6.130 1.00 52.43 O ATOM 1536 CB PRO A 99 -3.805 -0.559 -8.160 1.00 23.43 C ATOM 1537 CG PRO A 99 -2.599 -1.411 -7.942 1.00 13.40 C ATOM 1538 CD PRO A 99 -1.782 -0.698 -6.902 1.00 64.21 C ATOM 0 HA PRO A 99 -3.094 1.391 -8.921 1.00 1.55 H new ATOM 0 HB2 PRO A 99 -4.592 -0.796 -7.444 1.00 23.43 H new ATOM 0 HB3 PRO A 99 -4.223 -0.711 -9.155 1.00 23.43 H new ATOM 0 HG2 PRO A 99 -2.880 -2.408 -7.604 1.00 13.40 H new ATOM 0 HG3 PRO A 99 -2.035 -1.535 -8.866 1.00 13.40 H new ATOM 0 HD2 PRO A 99 -2.062 -0.999 -5.892 1.00 64.21 H new ATOM 0 HD3 PRO A 99 -0.718 -0.905 -7.013 1.00 64.21 H new ATOM 1546 N MET A 100 -4.857 2.777 -7.997 1.00 2.04 N ATOM 1547 CA MET A 100 -5.826 3.733 -7.441 1.00 0.55 C ATOM 1548 C MET A 100 -7.071 3.012 -6.895 1.00 72.24 C ATOM 1549 O MET A 100 -7.836 2.412 -7.652 1.00 54.04 O ATOM 1550 CB MET A 100 -6.234 4.739 -8.529 1.00 63.33 C ATOM 1551 CG MET A 100 -6.760 6.081 -8.018 1.00 54.10 C ATOM 1552 SD MET A 100 -8.069 5.930 -6.781 1.00 40.22 S ATOM 1553 CE MET A 100 -7.140 6.169 -5.265 1.00 22.23 C ATOM 0 H MET A 100 -4.600 2.963 -8.966 1.00 2.04 H new ATOM 0 HA MET A 100 -5.355 4.260 -6.611 1.00 0.55 H new ATOM 0 HB2 MET A 100 -5.372 4.926 -9.169 1.00 63.33 H new ATOM 0 HB3 MET A 100 -7.001 4.281 -9.154 1.00 63.33 H new ATOM 0 HG2 MET A 100 -5.932 6.646 -7.590 1.00 54.10 H new ATOM 0 HG3 MET A 100 -7.136 6.658 -8.863 1.00 54.10 H new ATOM 0 HE1 MET A 100 -7.747 5.862 -4.414 1.00 22.23 H new ATOM 0 HE2 MET A 100 -6.231 5.569 -5.297 1.00 22.23 H new ATOM 0 HE3 MET A 100 -6.877 7.222 -5.162 1.00 22.23 H new ATOM 1563 N GLY A 101 -7.258 3.064 -5.579 1.00 40.41 N ATOM 1564 CA GLY A 101 -8.424 2.429 -4.965 1.00 64.32 C ATOM 1565 C GLY A 101 -8.684 2.921 -3.547 1.00 13.42 C ATOM 1566 O GLY A 101 -8.049 3.877 -3.103 1.00 22.24 O ATOM 0 H GLY A 101 -6.630 3.531 -4.925 1.00 40.41 H new ATOM 0 HA2 GLY A 101 -9.303 2.623 -5.579 1.00 64.32 H new ATOM 0 HA3 GLY A 101 -8.278 1.349 -4.949 1.00 64.32 H new ATOM 1570 N PRO A 102 -9.595 2.274 -2.788 1.00 44.13 N ATOM 1571 CA PRO A 102 -9.916 2.703 -1.416 1.00 43.53 C ATOM 1572 C PRO A 102 -8.710 2.542 -0.480 1.00 24.41 C ATOM 1573 O PRO A 102 -8.561 3.272 0.497 1.00 70.41 O ATOM 1574 CB PRO A 102 -11.077 1.782 -1.004 1.00 22.11 C ATOM 1575 CG PRO A 102 -10.976 0.592 -1.905 1.00 41.21 C ATOM 1576 CD PRO A 102 -10.358 1.077 -3.192 1.00 23.33 C ATOM 0 HA PRO A 102 -10.180 3.759 -1.359 1.00 43.53 H new ATOM 0 HB2 PRO A 102 -10.995 1.491 0.043 1.00 22.11 H new ATOM 0 HB3 PRO A 102 -12.038 2.284 -1.121 1.00 22.11 H new ATOM 0 HG2 PRO A 102 -10.364 -0.187 -1.451 1.00 41.21 H new ATOM 0 HG3 PRO A 102 -11.960 0.159 -2.087 1.00 41.21 H new ATOM 0 HD2 PRO A 102 -9.710 0.320 -3.635 1.00 23.33 H new ATOM 0 HD3 PRO A 102 -11.118 1.319 -3.934 1.00 23.33 H new ATOM 1584 N TYR A 103 -7.842 1.591 -0.812 1.00 41.13 N ATOM 1585 CA TYR A 103 -6.608 1.351 -0.060 1.00 43.15 C ATOM 1586 C TYR A 103 -5.642 2.523 -0.240 1.00 42.22 C ATOM 1587 O TYR A 103 -5.179 3.122 0.729 1.00 51.14 O ATOM 1588 CB TYR A 103 -5.950 0.049 -0.534 1.00 64.34 C ATOM 1589 CG TYR A 103 -6.843 -1.172 -0.399 1.00 31.13 C ATOM 1590 CD1 TYR A 103 -8.022 -1.276 -1.129 1.00 64.02 C ATOM 1591 CD2 TYR A 103 -6.506 -2.220 0.448 1.00 63.31 C ATOM 1592 CE1 TYR A 103 -8.839 -2.379 -1.015 1.00 61.05 C ATOM 1593 CE2 TYR A 103 -7.317 -3.329 0.563 1.00 42.45 C ATOM 1594 CZ TYR A 103 -8.482 -3.403 -0.174 1.00 62.30 C ATOM 1595 OH TYR A 103 -9.294 -4.510 -0.072 1.00 30.34 O ATOM 0 H TYR A 103 -7.971 0.965 -1.607 1.00 41.13 H new ATOM 0 HA TYR A 103 -6.854 1.259 0.998 1.00 43.15 H new ATOM 0 HB2 TYR A 103 -5.657 0.160 -1.578 1.00 64.34 H new ATOM 0 HB3 TYR A 103 -5.037 -0.115 0.038 1.00 64.34 H new ATOM 0 HD1 TYR A 103 -8.303 -0.476 -1.798 1.00 64.02 H new ATOM 0 HD2 TYR A 103 -5.595 -2.165 1.025 1.00 63.31 H new ATOM 0 HE1 TYR A 103 -9.755 -2.438 -1.584 1.00 61.05 H new ATOM 0 HE2 TYR A 103 -7.042 -4.136 1.226 1.00 42.45 H new ATOM 0 HH TYR A 103 -8.741 -5.315 0.006 1.00 30.34 H new ATOM 1605 N ALA A 104 -5.358 2.858 -1.497 1.00 60.14 N ATOM 1606 CA ALA A 104 -4.538 4.024 -1.816 1.00 73.20 C ATOM 1607 C ALA A 104 -5.177 5.310 -1.275 1.00 54.43 C ATOM 1608 O ALA A 104 -4.490 6.193 -0.781 1.00 75.40 O ATOM 1609 CB ALA A 104 -4.331 4.126 -3.321 1.00 61.33 C ATOM 0 H ALA A 104 -5.684 2.338 -2.312 1.00 60.14 H new ATOM 0 HA ALA A 104 -3.568 3.901 -1.335 1.00 73.20 H new ATOM 0 HB1 ALA A 104 -3.718 4.999 -3.546 1.00 61.33 H new ATOM 0 HB2 ALA A 104 -3.829 3.228 -3.681 1.00 61.33 H new ATOM 0 HB3 ALA A 104 -5.297 4.224 -3.815 1.00 61.33 H new ATOM 1615 N ASN A 105 -6.504 5.388 -1.354 1.00 4.11 N ATOM 1616 CA ASN A 105 -7.270 6.535 -0.841 1.00 73.42 C ATOM 1617 C ASN A 105 -6.963 6.830 0.644 1.00 35.00 C ATOM 1618 O ASN A 105 -7.141 7.951 1.116 1.00 2.43 O ATOM 1619 CB ASN A 105 -8.769 6.259 -1.045 1.00 73.43 C ATOM 1620 CG ASN A 105 -9.673 7.255 -0.343 1.00 50.33 C ATOM 1621 OD1 ASN A 105 -10.016 8.298 -0.885 1.00 65.43 O ATOM 1622 ND2 ASN A 105 -10.076 6.928 0.869 1.00 55.20 N ATOM 0 H ASN A 105 -7.083 4.661 -1.774 1.00 4.11 H new ATOM 0 HA ASN A 105 -6.974 7.425 -1.397 1.00 73.42 H new ATOM 0 HB2 ASN A 105 -8.990 6.271 -2.112 1.00 73.43 H new ATOM 0 HB3 ASN A 105 -8.997 5.256 -0.683 1.00 73.43 H new ATOM 0 HD21 ASN A 105 -10.694 7.553 1.387 1.00 55.20 H new ATOM 0 HD22 ASN A 105 -9.770 6.050 1.289 1.00 55.20 H new ATOM 1629 N MET A 106 -6.489 5.818 1.371 1.00 53.22 N ATOM 1630 CA MET A 106 -6.155 5.966 2.796 1.00 40.45 C ATOM 1631 C MET A 106 -4.805 6.667 3.000 1.00 31.24 C ATOM 1632 O MET A 106 -4.475 7.074 4.112 1.00 1.10 O ATOM 1633 CB MET A 106 -6.112 4.585 3.463 1.00 61.31 C ATOM 1634 CG MET A 106 -7.409 3.806 3.334 1.00 12.43 C ATOM 1635 SD MET A 106 -8.723 4.463 4.380 1.00 54.41 S ATOM 1636 CE MET A 106 -8.291 3.736 5.960 1.00 52.51 C ATOM 0 H MET A 106 -6.326 4.882 0.999 1.00 53.22 H new ATOM 0 HA MET A 106 -6.928 6.584 3.252 1.00 40.45 H new ATOM 0 HB2 MET A 106 -5.303 4.003 3.022 1.00 61.31 H new ATOM 0 HB3 MET A 106 -5.876 4.709 4.520 1.00 61.31 H new ATOM 0 HG2 MET A 106 -7.736 3.822 2.294 1.00 12.43 H new ATOM 0 HG3 MET A 106 -7.229 2.763 3.596 1.00 12.43 H new ATOM 0 HE1 MET A 106 -9.132 3.153 6.335 1.00 52.51 H new ATOM 0 HE2 MET A 106 -7.425 3.085 5.837 1.00 52.51 H new ATOM 0 HE3 MET A 106 -8.052 4.527 6.671 1.00 52.51 H new ATOM 1646 N VAL A 107 -4.024 6.802 1.927 1.00 50.43 N ATOM 1647 CA VAL A 107 -2.656 7.327 2.033 1.00 1.02 C ATOM 1648 C VAL A 107 -2.305 8.329 0.916 1.00 65.13 C ATOM 1649 O VAL A 107 -1.309 9.047 1.017 1.00 20.33 O ATOM 1650 CB VAL A 107 -1.610 6.177 2.026 1.00 10.11 C ATOM 1651 CG1 VAL A 107 -1.762 5.289 3.263 1.00 52.34 C ATOM 1652 CG2 VAL A 107 -1.722 5.346 0.748 1.00 31.41 C ATOM 0 H VAL A 107 -4.310 6.558 0.979 1.00 50.43 H new ATOM 0 HA VAL A 107 -2.620 7.858 2.984 1.00 1.02 H new ATOM 0 HB VAL A 107 -0.618 6.628 2.053 1.00 10.11 H new ATOM 0 HG11 VAL A 107 -1.018 4.493 3.233 1.00 52.34 H new ATOM 0 HG12 VAL A 107 -1.616 5.889 4.161 1.00 52.34 H new ATOM 0 HG13 VAL A 107 -2.761 4.852 3.277 1.00 52.34 H new ATOM 0 HG21 VAL A 107 -0.980 4.548 0.767 1.00 31.41 H new ATOM 0 HG22 VAL A 107 -2.720 4.912 0.682 1.00 31.41 H new ATOM 0 HG23 VAL A 107 -1.546 5.985 -0.118 1.00 31.41 H new ATOM 1662 N ILE A 108 -3.117 8.391 -0.136 1.00 23.55 N ATOM 1663 CA ILE A 108 -2.832 9.278 -1.268 1.00 45.32 C ATOM 1664 C ILE A 108 -3.765 10.504 -1.264 1.00 63.41 C ATOM 1665 O ILE A 108 -4.703 10.580 -0.473 1.00 43.24 O ATOM 1666 CB ILE A 108 -2.932 8.518 -2.628 1.00 33.43 C ATOM 1667 CG1 ILE A 108 -4.393 8.253 -3.039 1.00 61.41 C ATOM 1668 CG2 ILE A 108 -2.154 7.203 -2.569 1.00 64.42 C ATOM 1669 CD1 ILE A 108 -4.932 9.258 -4.031 1.00 71.42 C ATOM 0 H ILE A 108 -3.972 7.843 -0.231 1.00 23.55 H new ATOM 0 HA ILE A 108 -1.807 9.629 -1.154 1.00 45.32 H new ATOM 0 HB ILE A 108 -2.489 9.162 -3.387 1.00 33.43 H new ATOM 0 HG12 ILE A 108 -4.465 7.254 -3.470 1.00 61.41 H new ATOM 0 HG13 ILE A 108 -5.020 8.262 -2.148 1.00 61.41 H new ATOM 0 HG21 ILE A 108 -2.236 6.688 -3.526 1.00 64.42 H new ATOM 0 HG22 ILE A 108 -1.105 7.410 -2.357 1.00 64.42 H new ATOM 0 HG23 ILE A 108 -2.565 6.572 -1.781 1.00 64.42 H new ATOM 0 HD11 ILE A 108 -5.965 9.010 -4.275 1.00 71.42 H new ATOM 0 HD12 ILE A 108 -4.892 10.256 -3.596 1.00 71.42 H new ATOM 0 HD13 ILE A 108 -4.329 9.233 -4.938 1.00 71.42 H new ATOM 1681 N ASP A 109 -3.496 11.461 -2.150 1.00 11.44 N ATOM 1682 CA ASP A 109 -4.259 12.717 -2.199 1.00 65.21 C ATOM 1683 C ASP A 109 -5.409 12.654 -3.224 1.00 4.14 C ATOM 1684 O ASP A 109 -5.178 12.645 -4.435 1.00 10.43 O ATOM 1685 CB ASP A 109 -3.314 13.880 -2.526 1.00 61.34 C ATOM 1686 CG ASP A 109 -4.033 15.213 -2.643 1.00 22.34 C ATOM 1687 OD1 ASP A 109 -4.900 15.503 -1.793 1.00 3.14 O ATOM 1688 OD2 ASP A 109 -3.740 15.970 -3.590 1.00 14.13 O ATOM 0 H ASP A 109 -2.755 11.395 -2.847 1.00 11.44 H new ATOM 0 HA ASP A 109 -4.710 12.876 -1.220 1.00 65.21 H new ATOM 0 HB2 ASP A 109 -2.552 13.951 -1.750 1.00 61.34 H new ATOM 0 HB3 ASP A 109 -2.797 13.669 -3.462 1.00 61.34 H new ATOM 1862 N GLY A 122 3.917 10.962 -6.629 1.00 70.41 N ATOM 1863 CA GLY A 122 2.768 10.681 -5.773 1.00 4.31 C ATOM 1864 C GLY A 122 2.858 11.359 -4.407 1.00 65.10 C ATOM 1865 O GLY A 122 3.604 12.323 -4.229 1.00 1.22 O ATOM 0 HA2 GLY A 122 1.859 11.010 -6.276 1.00 4.31 H new ATOM 0 HA3 GLY A 122 2.682 9.604 -5.632 1.00 4.31 H new ATOM 1869 N VAL A 123 2.085 10.862 -3.446 1.00 62.14 N ATOM 1870 CA VAL A 123 2.115 11.387 -2.070 1.00 2.03 C ATOM 1871 C VAL A 123 3.199 10.695 -1.224 1.00 44.21 C ATOM 1872 O VAL A 123 3.272 9.472 -1.182 1.00 63.42 O ATOM 1873 CB VAL A 123 0.742 11.204 -1.377 1.00 23.02 C ATOM 1874 CG1 VAL A 123 0.788 11.664 0.084 1.00 34.40 C ATOM 1875 CG2 VAL A 123 -0.344 11.946 -2.152 1.00 15.11 C ATOM 0 H VAL A 123 1.427 10.096 -3.587 1.00 62.14 H new ATOM 0 HA VAL A 123 2.348 12.449 -2.142 1.00 2.03 H new ATOM 0 HB VAL A 123 0.501 10.141 -1.375 1.00 23.02 H new ATOM 0 HG11 VAL A 123 -0.191 11.522 0.541 1.00 34.40 H new ATOM 0 HG12 VAL A 123 1.530 11.078 0.627 1.00 34.40 H new ATOM 0 HG13 VAL A 123 1.058 12.719 0.125 1.00 34.40 H new ATOM 0 HG21 VAL A 123 -1.304 11.809 -1.654 1.00 15.11 H new ATOM 0 HG22 VAL A 123 -0.103 13.008 -2.190 1.00 15.11 H new ATOM 0 HG23 VAL A 123 -0.402 11.551 -3.166 1.00 15.11 H new ATOM 1885 N LYS A 124 4.030 11.485 -0.545 1.00 45.14 N ATOM 1886 CA LYS A 124 5.105 10.940 0.302 1.00 71.01 C ATOM 1887 C LYS A 124 4.560 10.255 1.564 1.00 23.41 C ATOM 1888 O LYS A 124 3.555 10.676 2.136 1.00 40.24 O ATOM 1889 CB LYS A 124 6.084 12.055 0.691 1.00 52.30 C ATOM 1890 CG LYS A 124 7.022 12.470 -0.442 1.00 54.44 C ATOM 1891 CD LYS A 124 8.244 11.556 -0.552 1.00 64.15 C ATOM 1892 CE LYS A 124 9.151 11.662 0.672 1.00 42.22 C ATOM 1893 NZ LYS A 124 10.408 10.882 0.505 1.00 44.00 N ATOM 0 H LYS A 124 3.984 12.504 -0.561 1.00 45.14 H new ATOM 0 HA LYS A 124 5.626 10.181 -0.282 1.00 71.01 H new ATOM 0 HB2 LYS A 124 5.517 12.926 1.019 1.00 52.30 H new ATOM 0 HB3 LYS A 124 6.680 11.723 1.541 1.00 52.30 H new ATOM 0 HG2 LYS A 124 6.476 12.457 -1.385 1.00 54.44 H new ATOM 0 HG3 LYS A 124 7.352 13.496 -0.279 1.00 54.44 H new ATOM 0 HD2 LYS A 124 7.915 10.524 -0.671 1.00 64.15 H new ATOM 0 HD3 LYS A 124 8.811 11.815 -1.446 1.00 64.15 H new ATOM 0 HE2 LYS A 124 9.395 12.709 0.852 1.00 42.22 H new ATOM 0 HE3 LYS A 124 8.616 11.303 1.551 1.00 42.22 H new ATOM 0 HZ1 LYS A 124 10.863 10.754 1.432 1.00 44.00 H new ATOM 0 HZ2 LYS A 124 10.187 9.952 0.096 1.00 44.00 H new ATOM 0 HZ3 LYS A 124 11.053 11.395 -0.129 1.00 44.00 H new ATOM 1907 N GLY A 125 5.247 9.200 1.990 1.00 75.23 N ATOM 1908 CA GLY A 125 4.836 8.446 3.172 1.00 14.45 C ATOM 1909 C GLY A 125 5.845 7.372 3.565 1.00 21.43 C ATOM 1910 O GLY A 125 7.028 7.477 3.244 1.00 5.42 O ATOM 0 H GLY A 125 6.090 8.847 1.536 1.00 75.23 H new ATOM 0 HA2 GLY A 125 4.699 9.133 4.007 1.00 14.45 H new ATOM 0 HA3 GLY A 125 3.870 7.979 2.982 1.00 14.45 H new ATOM 1914 N THR A 126 5.386 6.335 4.263 1.00 51.34 N ATOM 1915 CA THR A 126 6.266 5.233 4.688 1.00 53.02 C ATOM 1916 C THR A 126 5.622 3.861 4.452 1.00 4.43 C ATOM 1917 O THR A 126 4.401 3.749 4.333 1.00 52.24 O ATOM 1918 CB THR A 126 6.640 5.341 6.187 1.00 61.34 C ATOM 1919 OG1 THR A 126 5.451 5.291 6.993 1.00 2.34 O ATOM 1920 CG2 THR A 126 7.410 6.629 6.477 1.00 21.41 C ATOM 0 H THR A 126 4.413 6.229 4.549 1.00 51.34 H new ATOM 0 HA THR A 126 7.165 5.322 4.079 1.00 53.02 H new ATOM 0 HB THR A 126 7.285 4.498 6.435 1.00 61.34 H new ATOM 0 HG1 THR A 126 5.529 5.931 7.731 1.00 2.34 H new ATOM 0 HG21 THR A 126 7.657 6.674 7.538 1.00 21.41 H new ATOM 0 HG22 THR A 126 8.328 6.644 5.889 1.00 21.41 H new ATOM 0 HG23 THR A 126 6.795 7.488 6.211 1.00 21.41 H new ATOM 1928 N VAL A 127 6.454 2.821 4.377 1.00 32.53 N ATOM 1929 CA VAL A 127 5.979 1.442 4.221 1.00 63.34 C ATOM 1930 C VAL A 127 6.702 0.493 5.202 1.00 53.02 C ATOM 1931 O VAL A 127 7.889 0.668 5.500 1.00 63.15 O ATOM 1932 CB VAL A 127 6.186 0.943 2.765 1.00 20.41 C ATOM 1933 CG1 VAL A 127 7.672 0.840 2.423 1.00 31.22 C ATOM 1934 CG2 VAL A 127 5.477 -0.392 2.529 1.00 71.42 C ATOM 0 H VAL A 127 7.469 2.908 4.422 1.00 32.53 H new ATOM 0 HA VAL A 127 4.913 1.437 4.447 1.00 63.34 H new ATOM 0 HB VAL A 127 5.738 1.680 2.098 1.00 20.41 H new ATOM 0 HG11 VAL A 127 7.786 0.488 1.398 1.00 31.22 H new ATOM 0 HG12 VAL A 127 8.137 1.820 2.524 1.00 31.22 H new ATOM 0 HG13 VAL A 127 8.154 0.138 3.103 1.00 31.22 H new ATOM 0 HG21 VAL A 127 5.641 -0.714 1.501 1.00 71.42 H new ATOM 0 HG22 VAL A 127 5.876 -1.142 3.212 1.00 71.42 H new ATOM 0 HG23 VAL A 127 4.408 -0.272 2.706 1.00 71.42 H new ATOM 1944 N GLU A 128 5.979 -0.504 5.703 1.00 3.40 N ATOM 1945 CA GLU A 128 6.529 -1.469 6.666 1.00 42.55 C ATOM 1946 C GLU A 128 5.810 -2.825 6.574 1.00 64.03 C ATOM 1947 O GLU A 128 4.634 -2.882 6.219 1.00 22.33 O ATOM 1948 CB GLU A 128 6.375 -0.915 8.092 1.00 0.24 C ATOM 1949 CG GLU A 128 4.945 -0.475 8.410 1.00 12.31 C ATOM 1950 CD GLU A 128 4.732 -0.099 9.867 1.00 24.43 C ATOM 1951 OE1 GLU A 128 5.632 0.513 10.474 1.00 4.24 O ATOM 1952 OE2 GLU A 128 3.646 -0.399 10.411 1.00 73.20 O ATOM 0 H GLU A 128 5.003 -0.670 5.459 1.00 3.40 H new ATOM 0 HA GLU A 128 7.582 -1.620 6.428 1.00 42.55 H new ATOM 0 HB2 GLU A 128 6.682 -1.678 8.808 1.00 0.24 H new ATOM 0 HB3 GLU A 128 7.048 -0.067 8.221 1.00 0.24 H new ATOM 0 HG2 GLU A 128 4.689 0.379 7.782 1.00 12.31 H new ATOM 0 HG3 GLU A 128 4.259 -1.281 8.148 1.00 12.31 H new ATOM 1959 N LYS A 129 6.507 -3.919 6.892 1.00 14.01 N ATOM 1960 CA LYS A 129 5.838 -5.220 7.025 1.00 33.22 C ATOM 1961 C LYS A 129 5.229 -5.361 8.421 1.00 12.20 C ATOM 1962 O LYS A 129 5.919 -5.204 9.429 1.00 11.31 O ATOM 1963 CB LYS A 129 6.782 -6.402 6.749 1.00 64.31 C ATOM 1964 CG LYS A 129 6.150 -7.758 7.093 1.00 45.24 C ATOM 1965 CD LYS A 129 6.730 -8.921 6.286 1.00 74.03 C ATOM 1966 CE LYS A 129 8.227 -9.115 6.502 1.00 31.10 C ATOM 1967 NZ LYS A 129 8.713 -10.357 5.841 1.00 14.14 N ATOM 0 H LYS A 129 7.513 -3.934 7.060 1.00 14.01 H new ATOM 0 HA LYS A 129 5.051 -5.249 6.271 1.00 33.22 H new ATOM 0 HB2 LYS A 129 7.068 -6.395 5.697 1.00 64.31 H new ATOM 0 HB3 LYS A 129 7.696 -6.274 7.329 1.00 64.31 H new ATOM 0 HG2 LYS A 129 6.291 -7.957 8.155 1.00 45.24 H new ATOM 0 HG3 LYS A 129 5.075 -7.704 6.918 1.00 45.24 H new ATOM 0 HD2 LYS A 129 6.208 -9.839 6.557 1.00 74.03 H new ATOM 0 HD3 LYS A 129 6.542 -8.749 5.226 1.00 74.03 H new ATOM 0 HE2 LYS A 129 8.768 -8.255 6.107 1.00 31.10 H new ATOM 0 HE3 LYS A 129 8.439 -9.162 7.570 1.00 31.10 H new ATOM 0 HZ1 LYS A 129 9.682 -10.209 5.494 1.00 14.14 H new ATOM 0 HZ2 LYS A 129 8.706 -11.140 6.525 1.00 14.14 H new ATOM 0 HZ3 LYS A 129 8.091 -10.591 5.041 1.00 14.14 H new ATOM 1981 N THR A 130 3.947 -5.691 8.470 1.00 2.23 N ATOM 1982 CA THR A 130 3.198 -5.691 9.736 1.00 34.12 C ATOM 1983 C THR A 130 2.498 -7.033 10.000 1.00 54.31 C ATOM 1984 O THR A 130 2.212 -7.799 9.078 1.00 34.03 O ATOM 1985 CB THR A 130 2.142 -4.557 9.762 1.00 43.31 C ATOM 1986 OG1 THR A 130 1.403 -4.591 10.996 1.00 10.14 O ATOM 1987 CG2 THR A 130 1.176 -4.671 8.582 1.00 73.42 C ATOM 0 H THR A 130 3.397 -5.963 7.655 1.00 2.23 H new ATOM 0 HA THR A 130 3.933 -5.525 10.523 1.00 34.12 H new ATOM 0 HB THR A 130 2.672 -3.608 9.683 1.00 43.31 H new ATOM 0 HG1 THR A 130 0.806 -3.815 11.041 1.00 10.14 H new ATOM 0 HG21 THR A 130 0.448 -3.861 8.629 1.00 73.42 H new ATOM 0 HG22 THR A 130 1.733 -4.604 7.648 1.00 73.42 H new ATOM 0 HG23 THR A 130 0.657 -5.629 8.628 1.00 73.42 H new ATOM 1995 N ASP A 131 2.227 -7.309 11.273 1.00 62.41 N ATOM 1996 CA ASP A 131 1.524 -8.530 11.675 1.00 64.21 C ATOM 1997 C ASP A 131 -0.002 -8.370 11.526 1.00 43.52 C ATOM 1998 O ASP A 131 -0.761 -9.327 11.708 1.00 74.40 O ATOM 1999 CB ASP A 131 1.904 -8.898 13.113 1.00 10.20 C ATOM 2000 CG ASP A 131 1.572 -7.801 14.107 1.00 73.43 C ATOM 2001 OD1 ASP A 131 2.277 -6.771 14.116 1.00 22.31 O ATOM 2002 OD2 ASP A 131 0.605 -7.965 14.880 1.00 64.43 O ATOM 0 H ASP A 131 2.484 -6.701 12.050 1.00 62.41 H new ATOM 0 HA ASP A 131 1.829 -9.341 11.014 1.00 64.21 H new ATOM 0 HB2 ASP A 131 1.383 -9.812 13.399 1.00 10.20 H new ATOM 0 HB3 ASP A 131 2.972 -9.112 13.158 1.00 10.20 H new ATOM 2007 N GLU A 132 -0.431 -7.153 11.183 1.00 31.41 N ATOM 2008 CA GLU A 132 -1.844 -6.857 10.911 1.00 54.42 C ATOM 2009 C GLU A 132 -2.314 -7.522 9.613 1.00 45.44 C ATOM 2010 O GLU A 132 -1.504 -7.831 8.735 1.00 23.22 O ATOM 2011 CB GLU A 132 -2.050 -5.339 10.808 1.00 64.44 C ATOM 2012 CG GLU A 132 -1.652 -4.588 12.071 1.00 23.42 C ATOM 2013 CD GLU A 132 -1.646 -3.081 11.891 1.00 64.30 C ATOM 2014 OE1 GLU A 132 -2.730 -2.460 11.952 1.00 53.33 O ATOM 2015 OE2 GLU A 132 -0.555 -2.508 11.682 1.00 74.21 O ATOM 0 H GLU A 132 0.186 -6.347 11.086 1.00 31.41 H new ATOM 0 HA GLU A 132 -2.434 -7.257 11.736 1.00 54.42 H new ATOM 0 HB2 GLU A 132 -1.469 -4.957 9.969 1.00 64.44 H new ATOM 0 HB3 GLU A 132 -3.098 -5.136 10.589 1.00 64.44 H new ATOM 0 HG2 GLU A 132 -2.341 -4.849 12.874 1.00 23.42 H new ATOM 0 HG3 GLU A 132 -0.660 -4.915 12.383 1.00 23.42 H new ATOM 2022 N LYS A 133 -3.622 -7.733 9.490 1.00 72.12 N ATOM 2023 CA LYS A 133 -4.192 -8.344 8.286 1.00 62.23 C ATOM 2024 C LYS A 133 -4.525 -7.284 7.224 1.00 63.22 C ATOM 2025 O LYS A 133 -4.717 -6.105 7.542 1.00 61.44 O ATOM 2026 CB LYS A 133 -5.460 -9.143 8.630 1.00 33.03 C ATOM 2027 CG LYS A 133 -6.648 -8.276 9.043 1.00 21.40 C ATOM 2028 CD LYS A 133 -7.910 -9.106 9.268 1.00 62.01 C ATOM 2029 CE LYS A 133 -9.113 -8.227 9.595 1.00 52.04 C ATOM 2030 NZ LYS A 133 -10.344 -9.030 9.814 1.00 54.12 N ATOM 0 H LYS A 133 -4.308 -7.492 10.205 1.00 72.12 H new ATOM 0 HA LYS A 133 -3.441 -9.020 7.878 1.00 62.23 H new ATOM 0 HB2 LYS A 133 -5.744 -9.743 7.766 1.00 33.03 H new ATOM 0 HB3 LYS A 133 -5.231 -9.837 9.439 1.00 33.03 H new ATOM 0 HG2 LYS A 133 -6.402 -7.735 9.957 1.00 21.40 H new ATOM 0 HG3 LYS A 133 -6.838 -7.529 8.272 1.00 21.40 H new ATOM 0 HD2 LYS A 133 -8.122 -9.695 8.376 1.00 62.01 H new ATOM 0 HD3 LYS A 133 -7.742 -9.810 10.083 1.00 62.01 H new ATOM 0 HE2 LYS A 133 -8.900 -7.638 10.487 1.00 52.04 H new ATOM 0 HE3 LYS A 133 -9.280 -7.522 8.780 1.00 52.04 H new ATOM 0 HZ1 LYS A 133 -11.138 -8.395 10.034 1.00 54.12 H new ATOM 0 HZ2 LYS A 133 -10.562 -9.573 8.954 1.00 54.12 H new ATOM 0 HZ3 LYS A 133 -10.195 -9.685 10.608 1.00 54.12 H new ATOM 2044 N VAL A 134 -4.601 -7.712 5.967 1.00 1.43 N ATOM 2045 CA VAL A 134 -4.977 -6.821 4.866 1.00 72.41 C ATOM 2046 C VAL A 134 -6.457 -6.418 4.966 1.00 43.15 C ATOM 2047 O VAL A 134 -7.317 -7.244 5.284 1.00 31.11 O ATOM 2048 CB VAL A 134 -4.714 -7.485 3.486 1.00 2.31 C ATOM 2049 CG1 VAL A 134 -5.173 -6.587 2.333 1.00 60.12 C ATOM 2050 CG2 VAL A 134 -3.234 -7.838 3.333 1.00 21.44 C ATOM 0 H VAL A 134 -4.407 -8.672 5.682 1.00 1.43 H new ATOM 0 HA VAL A 134 -4.357 -5.928 4.949 1.00 72.41 H new ATOM 0 HB VAL A 134 -5.299 -8.403 3.445 1.00 2.31 H new ATOM 0 HG11 VAL A 134 -4.973 -7.084 1.383 1.00 60.12 H new ATOM 0 HG12 VAL A 134 -6.242 -6.395 2.425 1.00 60.12 H new ATOM 0 HG13 VAL A 134 -4.630 -5.642 2.369 1.00 60.12 H new ATOM 0 HG21 VAL A 134 -3.069 -8.302 2.361 1.00 21.44 H new ATOM 0 HG22 VAL A 134 -2.634 -6.931 3.409 1.00 21.44 H new ATOM 0 HG23 VAL A 134 -2.942 -8.533 4.121 1.00 21.44 H new ATOM 2060 N LEU A 135 -6.749 -5.149 4.709 1.00 54.03 N ATOM 2061 CA LEU A 135 -8.130 -4.660 4.749 1.00 73.30 C ATOM 2062 C LEU A 135 -8.949 -5.198 3.573 1.00 40.22 C ATOM 2063 O LEU A 135 -8.492 -5.190 2.438 1.00 61.41 O ATOM 2064 CB LEU A 135 -8.163 -3.119 4.746 1.00 31.42 C ATOM 2065 CG LEU A 135 -8.054 -2.460 6.129 1.00 64.05 C ATOM 2066 CD1 LEU A 135 -8.036 -0.937 6.010 1.00 41.14 C ATOM 2067 CD2 LEU A 135 -9.204 -2.921 7.022 1.00 23.42 C ATOM 0 H LEU A 135 -6.055 -4.440 4.471 1.00 54.03 H new ATOM 0 HA LEU A 135 -8.577 -5.025 5.674 1.00 73.30 H new ATOM 0 HB2 LEU A 135 -7.346 -2.755 4.123 1.00 31.42 H new ATOM 0 HB3 LEU A 135 -9.091 -2.792 4.278 1.00 31.42 H new ATOM 0 HG LEU A 135 -7.113 -2.768 6.585 1.00 64.05 H new ATOM 0 HD11 LEU A 135 -7.958 -0.495 7.003 1.00 41.14 H new ATOM 0 HD12 LEU A 135 -7.181 -0.629 5.408 1.00 41.14 H new ATOM 0 HD13 LEU A 135 -8.956 -0.598 5.533 1.00 41.14 H new ATOM 0 HD21 LEU A 135 -9.117 -2.448 8.000 1.00 23.42 H new ATOM 0 HD22 LEU A 135 -10.154 -2.641 6.566 1.00 23.42 H new ATOM 0 HD23 LEU A 135 -9.163 -4.004 7.138 1.00 23.42 H new ATOM 2079 N SER A 136 -10.153 -5.680 3.854 1.00 11.45 N ATOM 2080 CA SER A 136 -11.092 -6.041 2.789 1.00 42.14 C ATOM 2081 C SER A 136 -11.746 -4.774 2.235 1.00 45.32 C ATOM 2082 O SER A 136 -11.983 -3.823 2.983 1.00 50.45 O ATOM 2083 CB SER A 136 -12.170 -7.000 3.311 1.00 5.11 C ATOM 2084 OG SER A 136 -13.073 -7.368 2.280 1.00 70.42 O ATOM 0 H SER A 136 -10.504 -5.831 4.800 1.00 11.45 H new ATOM 0 HA SER A 136 -10.542 -6.547 1.996 1.00 42.14 H new ATOM 0 HB2 SER A 136 -11.698 -7.893 3.721 1.00 5.11 H new ATOM 0 HB3 SER A 136 -12.718 -6.527 4.126 1.00 5.11 H new ATOM 0 HG SER A 136 -13.748 -7.981 2.640 1.00 70.42 H new ATOM 2090 N VAL A 137 -12.035 -4.756 0.934 1.00 34.14 N ATOM 2091 CA VAL A 137 -12.610 -3.571 0.281 1.00 21.22 C ATOM 2092 C VAL A 137 -13.775 -2.977 1.094 1.00 41.20 C ATOM 2093 O VAL A 137 -13.831 -1.770 1.322 1.00 14.14 O ATOM 2094 CB VAL A 137 -13.091 -3.895 -1.159 1.00 63.01 C ATOM 2095 CG1 VAL A 137 -13.727 -2.669 -1.819 1.00 33.54 C ATOM 2096 CG2 VAL A 137 -11.930 -4.423 -2.003 1.00 43.40 C ATOM 0 H VAL A 137 -11.882 -5.547 0.308 1.00 34.14 H new ATOM 0 HA VAL A 137 -11.813 -2.829 0.228 1.00 21.22 H new ATOM 0 HB VAL A 137 -13.854 -4.671 -1.094 1.00 63.01 H new ATOM 0 HG11 VAL A 137 -14.054 -2.927 -2.826 1.00 33.54 H new ATOM 0 HG12 VAL A 137 -14.585 -2.343 -1.231 1.00 33.54 H new ATOM 0 HG13 VAL A 137 -12.995 -1.863 -1.870 1.00 33.54 H new ATOM 0 HG21 VAL A 137 -12.284 -4.645 -3.010 1.00 43.40 H new ATOM 0 HG22 VAL A 137 -11.144 -3.669 -2.053 1.00 43.40 H new ATOM 0 HG23 VAL A 137 -11.534 -5.331 -1.549 1.00 43.40 H new ATOM 2106 N LYS A 138 -14.683 -3.837 1.560 1.00 0.33 N ATOM 2107 CA LYS A 138 -15.836 -3.391 2.357 1.00 52.12 C ATOM 2108 C LYS A 138 -15.406 -2.937 3.761 1.00 31.43 C ATOM 2109 O LYS A 138 -15.888 -1.925 4.269 1.00 52.01 O ATOM 2110 CB LYS A 138 -16.886 -4.503 2.475 1.00 70.54 C ATOM 2111 CG LYS A 138 -18.155 -4.068 3.208 1.00 30.51 C ATOM 2112 CD LYS A 138 -19.111 -5.235 3.428 1.00 1.43 C ATOM 2113 CE LYS A 138 -18.519 -6.272 4.374 1.00 72.42 C ATOM 2114 NZ LYS A 138 -18.480 -5.795 5.785 1.00 53.35 N ATOM 0 H LYS A 138 -14.646 -4.844 1.402 1.00 0.33 H new ATOM 0 HA LYS A 138 -16.276 -2.540 1.836 1.00 52.12 H new ATOM 0 HB2 LYS A 138 -17.153 -4.847 1.476 1.00 70.54 H new ATOM 0 HB3 LYS A 138 -16.447 -5.352 2.998 1.00 70.54 H new ATOM 0 HG2 LYS A 138 -17.887 -3.631 4.170 1.00 30.51 H new ATOM 0 HG3 LYS A 138 -18.658 -3.290 2.634 1.00 30.51 H new ATOM 0 HD2 LYS A 138 -20.051 -4.864 3.836 1.00 1.43 H new ATOM 0 HD3 LYS A 138 -19.341 -5.703 2.471 1.00 1.43 H new ATOM 0 HE2 LYS A 138 -19.107 -7.188 4.319 1.00 72.42 H new ATOM 0 HE3 LYS A 138 -17.509 -6.522 4.049 1.00 72.42 H new ATOM 0 HZ1 LYS A 138 -18.149 -6.564 6.402 1.00 53.35 H new ATOM 0 HZ2 LYS A 138 -17.830 -4.986 5.860 1.00 53.35 H new ATOM 0 HZ3 LYS A 138 -19.434 -5.501 6.079 1.00 53.35 H new ATOM 2128 N GLU A 139 -14.483 -3.682 4.375 1.00 1.33 N ATOM 2129 CA GLU A 139 -13.961 -3.343 5.704 1.00 1.53 C ATOM 2130 C GLU A 139 -13.393 -1.918 5.686 1.00 35.24 C ATOM 2131 O GLU A 139 -13.525 -1.152 6.642 1.00 2.02 O ATOM 2132 CB GLU A 139 -12.863 -4.348 6.093 1.00 54.34 C ATOM 2133 CG GLU A 139 -12.329 -4.195 7.515 1.00 42.25 C ATOM 2134 CD GLU A 139 -13.369 -4.514 8.573 1.00 62.44 C ATOM 2135 OE1 GLU A 139 -13.819 -5.681 8.638 1.00 41.22 O ATOM 2136 OE2 GLU A 139 -13.728 -3.611 9.355 1.00 10.01 O ATOM 0 H GLU A 139 -14.080 -4.528 3.972 1.00 1.33 H new ATOM 0 HA GLU A 139 -14.765 -3.392 6.438 1.00 1.53 H new ATOM 0 HB2 GLU A 139 -13.256 -5.358 5.974 1.00 54.34 H new ATOM 0 HB3 GLU A 139 -12.032 -4.245 5.395 1.00 54.34 H new ATOM 0 HG2 GLU A 139 -11.469 -4.852 7.648 1.00 42.25 H new ATOM 0 HG3 GLU A 139 -11.975 -3.174 7.657 1.00 42.25 H new ATOM 2143 N LEU A 140 -12.775 -1.586 4.561 1.00 23.11 N ATOM 2144 CA LEU A 140 -12.224 -0.260 4.318 1.00 22.33 C ATOM 2145 C LEU A 140 -13.347 0.786 4.167 1.00 62.33 C ATOM 2146 O LEU A 140 -13.226 1.912 4.650 1.00 55.30 O ATOM 2147 CB LEU A 140 -11.347 -0.323 3.064 1.00 23.03 C ATOM 2148 CG LEU A 140 -10.093 0.551 3.103 1.00 65.42 C ATOM 2149 CD1 LEU A 140 -9.073 0.043 2.100 1.00 74.34 C ATOM 2150 CD2 LEU A 140 -10.437 2.009 2.833 1.00 53.23 C ATOM 0 H LEU A 140 -12.641 -2.234 3.785 1.00 23.11 H new ATOM 0 HA LEU A 140 -11.618 0.050 5.169 1.00 22.33 H new ATOM 0 HB2 LEU A 140 -11.045 -1.358 2.903 1.00 23.03 H new ATOM 0 HB3 LEU A 140 -11.949 -0.029 2.204 1.00 23.03 H new ATOM 0 HG LEU A 140 -9.660 0.491 4.102 1.00 65.42 H new ATOM 0 HD11 LEU A 140 -8.184 0.672 2.135 1.00 74.34 H new ATOM 0 HD12 LEU A 140 -8.801 -0.984 2.346 1.00 74.34 H new ATOM 0 HD13 LEU A 140 -9.501 0.075 1.098 1.00 74.34 H new ATOM 0 HD21 LEU A 140 -9.528 2.610 2.866 1.00 53.23 H new ATOM 0 HD22 LEU A 140 -10.895 2.098 1.848 1.00 53.23 H new ATOM 0 HD23 LEU A 140 -11.135 2.365 3.591 1.00 53.23 H new ATOM 2162 N LEU A 141 -14.449 0.402 3.509 1.00 62.41 N ATOM 2163 CA LEU A 141 -15.623 1.282 3.374 1.00 52.14 C ATOM 2164 C LEU A 141 -16.164 1.661 4.759 1.00 54.53 C ATOM 2165 O LEU A 141 -16.403 2.832 5.061 1.00 74.21 O ATOM 2166 CB LEU A 141 -16.741 0.581 2.584 1.00 11.33 C ATOM 2167 CG LEU A 141 -16.342 0.005 1.216 1.00 45.11 C ATOM 2168 CD1 LEU A 141 -17.505 -0.768 0.592 1.00 2.31 C ATOM 2169 CD2 LEU A 141 -15.853 1.104 0.275 1.00 55.10 C ATOM 0 H LEU A 141 -14.554 -0.509 3.062 1.00 62.41 H new ATOM 0 HA LEU A 141 -15.309 2.178 2.840 1.00 52.14 H new ATOM 0 HB2 LEU A 141 -17.137 -0.230 3.196 1.00 11.33 H new ATOM 0 HB3 LEU A 141 -17.553 1.292 2.433 1.00 11.33 H new ATOM 0 HG LEU A 141 -15.517 -0.689 1.374 1.00 45.11 H new ATOM 0 HD11 LEU A 141 -17.200 -1.166 -0.375 1.00 2.31 H new ATOM 0 HD12 LEU A 141 -17.790 -1.590 1.249 1.00 2.31 H new ATOM 0 HD13 LEU A 141 -18.355 -0.100 0.457 1.00 2.31 H new ATOM 0 HD21 LEU A 141 -15.578 0.666 -0.684 1.00 55.10 H new ATOM 0 HD22 LEU A 141 -16.647 1.835 0.126 1.00 55.10 H new ATOM 0 HD23 LEU A 141 -14.984 1.596 0.711 1.00 55.10 H new