USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 842 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 Single : A 1 GLY N :NH3+ -106:sc= 0.057 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0182 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.5!) USER MOD Single : A 17 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.371 K(o=-0.37,f=-3.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 48 ASN : amide:sc= -0.365 K(o=-0.36,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.316 K(o=-0.32,f=-0.91) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 81 SER OG : rot 70:sc= 0.435 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -90:sc= -1.29 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.513 28.159 35.329 1.00 0.00 N ATOM 2 CA GLY A 1 -27.738 27.799 34.154 1.00 0.00 C ATOM 3 C GLY A 1 -28.284 28.490 32.903 1.00 0.00 C ATOM 4 O GLY A 1 -29.467 28.822 32.840 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.966 28.820 35.916 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.401 28.612 35.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.727 27.303 35.879 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.695 28.079 34.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.761 26.718 34.016 1.00 0.00 H new ATOM 8 N SER A 2 -27.397 28.686 31.939 1.00 0.00 N ATOM 9 CA SER A 2 -27.776 29.332 30.693 1.00 0.00 C ATOM 10 C SER A 2 -26.834 28.895 29.570 1.00 0.00 C ATOM 11 O SER A 2 -27.276 28.342 28.564 1.00 0.00 O ATOM 12 CB SER A 2 -27.762 30.855 30.836 1.00 0.00 C ATOM 13 OG SER A 2 -29.071 31.386 31.024 1.00 0.00 O ATOM 0 H SER A 2 -26.417 28.409 31.995 1.00 0.00 H new ATOM 0 HA SER A 2 -28.793 29.027 30.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.133 31.134 31.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.315 31.299 29.946 1.00 0.00 H new ATOM 0 HG SER A 2 -29.583 30.793 31.612 1.00 0.00 H new ATOM 19 N SER A 3 -25.552 29.160 29.779 1.00 0.00 N ATOM 20 CA SER A 3 -24.544 28.801 28.796 1.00 0.00 C ATOM 21 C SER A 3 -23.148 29.101 29.345 1.00 0.00 C ATOM 22 O SER A 3 -23.008 29.811 30.341 1.00 0.00 O ATOM 23 CB SER A 3 -24.768 29.547 27.479 1.00 0.00 C ATOM 24 OG SER A 3 -24.689 30.960 27.646 1.00 0.00 O ATOM 0 H SER A 3 -25.189 29.619 30.614 1.00 0.00 H new ATOM 0 HA SER A 3 -24.627 27.733 28.596 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.024 29.226 26.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.745 29.284 27.075 1.00 0.00 H new ATOM 0 HG SER A 3 -24.836 31.400 26.783 1.00 0.00 H new ATOM 30 N GLY A 4 -22.150 28.546 28.673 1.00 0.00 N ATOM 31 CA GLY A 4 -20.770 28.746 29.081 1.00 0.00 C ATOM 32 C GLY A 4 -19.891 27.577 28.632 1.00 0.00 C ATOM 33 O GLY A 4 -19.810 26.558 29.316 1.00 0.00 O ATOM 0 H GLY A 4 -22.270 27.958 27.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.392 29.675 28.654 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.719 28.849 30.165 1.00 0.00 H new ATOM 37 N SER A 5 -19.255 27.763 27.485 1.00 0.00 N ATOM 38 CA SER A 5 -18.385 26.737 26.936 1.00 0.00 C ATOM 39 C SER A 5 -17.561 27.311 25.782 1.00 0.00 C ATOM 40 O SER A 5 -18.111 27.922 24.866 1.00 0.00 O ATOM 41 CB SER A 5 -19.192 25.527 26.462 1.00 0.00 C ATOM 42 OG SER A 5 -18.351 24.466 26.017 1.00 0.00 O ATOM 0 H SER A 5 -19.325 28.610 26.920 1.00 0.00 H new ATOM 0 HA SER A 5 -17.710 26.404 27.724 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.824 25.172 27.276 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.855 25.828 25.651 1.00 0.00 H new ATOM 0 HG SER A 5 -18.904 23.711 25.724 1.00 0.00 H new ATOM 48 N SER A 6 -16.256 27.096 25.863 1.00 0.00 N ATOM 49 CA SER A 6 -15.352 27.584 24.837 1.00 0.00 C ATOM 50 C SER A 6 -14.131 26.668 24.735 1.00 0.00 C ATOM 51 O SER A 6 -13.890 25.850 25.621 1.00 0.00 O ATOM 52 CB SER A 6 -14.913 29.021 25.127 1.00 0.00 C ATOM 53 OG SER A 6 -15.006 29.851 23.973 1.00 0.00 O ATOM 0 H SER A 6 -15.803 26.590 26.624 1.00 0.00 H new ATOM 0 HA SER A 6 -15.883 27.579 23.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.532 29.436 25.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.885 29.020 25.491 1.00 0.00 H new ATOM 0 HG SER A 6 -14.719 30.760 24.200 1.00 0.00 H new ATOM 59 N GLY A 7 -13.394 26.835 23.647 1.00 0.00 N ATOM 60 CA GLY A 7 -12.205 26.032 23.418 1.00 0.00 C ATOM 61 C GLY A 7 -12.553 24.729 22.696 1.00 0.00 C ATOM 62 O GLY A 7 -13.129 23.820 23.291 1.00 0.00 O ATOM 0 H GLY A 7 -13.597 27.515 22.914 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.487 26.600 22.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.725 25.807 24.370 1.00 0.00 H new ATOM 66 N ALA A 8 -12.188 24.681 21.423 1.00 0.00 N ATOM 67 CA ALA A 8 -12.455 23.504 20.613 1.00 0.00 C ATOM 68 C ALA A 8 -11.282 23.272 19.658 1.00 0.00 C ATOM 69 O ALA A 8 -10.565 24.208 19.310 1.00 0.00 O ATOM 70 CB ALA A 8 -13.782 23.683 19.873 1.00 0.00 C ATOM 0 H ALA A 8 -11.710 25.437 20.933 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.550 22.619 21.242 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.982 22.800 19.266 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.587 23.816 20.596 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.724 24.561 19.229 1.00 0.00 H new ATOM 76 N ILE A 9 -11.124 22.018 19.260 1.00 0.00 N ATOM 77 CA ILE A 9 -10.051 21.650 18.352 1.00 0.00 C ATOM 78 C ILE A 9 -10.108 22.546 17.113 1.00 0.00 C ATOM 79 O ILE A 9 -11.132 22.607 16.434 1.00 0.00 O ATOM 80 CB ILE A 9 -10.108 20.155 18.033 1.00 0.00 C ATOM 81 CG1 ILE A 9 -11.337 19.821 17.185 1.00 0.00 C ATOM 82 CG2 ILE A 9 -10.050 19.319 19.313 1.00 0.00 C ATOM 83 CD1 ILE A 9 -10.928 19.373 15.780 1.00 0.00 C ATOM 0 H ILE A 9 -11.721 21.244 19.550 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.081 21.815 18.821 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.230 19.899 17.441 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.914 19.033 17.669 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.985 20.695 17.118 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.092 18.260 19.058 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.120 19.528 19.842 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.896 19.572 19.952 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.820 19.142 15.198 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.372 20.173 15.290 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.300 18.485 15.850 1.00 0.00 H new ATOM 95 N TYR A 10 -8.996 23.218 16.856 1.00 0.00 N ATOM 96 CA TYR A 10 -8.906 24.107 15.711 1.00 0.00 C ATOM 97 C TYR A 10 -7.551 23.971 15.015 1.00 0.00 C ATOM 98 O TYR A 10 -6.945 24.969 14.626 1.00 0.00 O ATOM 99 CB TYR A 10 -9.040 25.526 16.267 1.00 0.00 C ATOM 100 CG TYR A 10 -7.735 26.104 16.818 1.00 0.00 C ATOM 101 CD1 TYR A 10 -7.165 25.564 17.952 1.00 0.00 C ATOM 102 CD2 TYR A 10 -7.128 27.167 16.180 1.00 0.00 C ATOM 103 CE1 TYR A 10 -5.937 26.108 18.471 1.00 0.00 C ATOM 104 CE2 TYR A 10 -5.899 27.711 16.698 1.00 0.00 C ATOM 105 CZ TYR A 10 -5.365 27.154 17.818 1.00 0.00 C ATOM 106 OH TYR A 10 -4.204 27.668 18.307 1.00 0.00 O ATOM 0 H TYR A 10 -8.149 23.165 17.422 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.679 23.869 14.980 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.411 26.181 15.478 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.788 25.526 17.059 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.640 24.732 18.451 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.575 27.591 15.293 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.481 25.695 19.358 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.413 28.542 16.208 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.910 28.410 17.739 1.00 0.00 H new ATOM 116 N VAL A 11 -7.114 22.727 14.879 1.00 0.00 N ATOM 117 CA VAL A 11 -5.841 22.448 14.237 1.00 0.00 C ATOM 118 C VAL A 11 -5.614 20.935 14.202 1.00 0.00 C ATOM 119 O VAL A 11 -5.598 20.282 15.244 1.00 0.00 O ATOM 120 CB VAL A 11 -4.718 23.204 14.949 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.006 22.304 15.961 1.00 0.00 C ATOM 122 CG2 VAL A 11 -3.726 23.789 13.942 1.00 0.00 C ATOM 0 H VAL A 11 -7.619 21.902 15.202 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.848 22.801 13.206 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.167 24.033 15.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.212 22.866 16.453 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.722 21.958 16.707 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.576 21.445 15.445 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.938 24.321 14.475 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.286 22.983 13.354 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.246 24.480 13.278 1.00 0.00 H new ATOM 132 N ASP A 12 -5.444 20.422 12.992 1.00 0.00 N ATOM 133 CA ASP A 12 -5.218 18.998 12.808 1.00 0.00 C ATOM 134 C ASP A 12 -4.930 18.719 11.331 1.00 0.00 C ATOM 135 O ASP A 12 -5.800 18.899 10.481 1.00 0.00 O ATOM 136 CB ASP A 12 -6.452 18.189 13.210 1.00 0.00 C ATOM 137 CG ASP A 12 -6.200 17.101 14.256 1.00 0.00 C ATOM 138 OD1 ASP A 12 -5.874 17.480 15.402 1.00 0.00 O ATOM 139 OD2 ASP A 12 -6.337 15.915 13.886 1.00 0.00 O ATOM 0 H ASP A 12 -5.458 20.967 12.130 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.375 18.706 13.435 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.207 18.874 13.595 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.869 17.724 12.317 1.00 0.00 H new ATOM 144 N LEU A 13 -3.706 18.284 11.072 1.00 0.00 N ATOM 145 CA LEU A 13 -3.292 17.978 9.714 1.00 0.00 C ATOM 146 C LEU A 13 -4.379 17.146 9.029 1.00 0.00 C ATOM 147 O LEU A 13 -5.152 16.459 9.696 1.00 0.00 O ATOM 148 CB LEU A 13 -1.915 17.312 9.710 1.00 0.00 C ATOM 149 CG LEU A 13 -0.713 18.256 9.780 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.387 17.679 10.673 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.197 18.592 8.379 1.00 0.00 C ATOM 0 H LEU A 13 -2.987 18.136 11.780 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.179 18.895 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.863 16.626 10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.827 16.710 8.805 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.040 19.191 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.229 18.370 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.002 17.533 11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.718 16.722 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.657 19.264 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.108 17.675 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.988 19.076 7.806 1.00 0.00 H new ATOM 163 N PRO A 14 -4.404 17.237 7.673 1.00 0.00 N ATOM 164 CA PRO A 14 -5.383 16.502 6.891 1.00 0.00 C ATOM 165 C PRO A 14 -5.023 15.017 6.819 1.00 0.00 C ATOM 166 O PRO A 14 -3.861 14.647 6.980 1.00 0.00 O ATOM 167 CB PRO A 14 -5.389 17.179 5.530 1.00 0.00 C ATOM 168 CG PRO A 14 -4.090 17.964 5.450 1.00 0.00 C ATOM 169 CD PRO A 14 -3.505 18.041 6.850 1.00 0.00 C ATOM 0 HA PRO A 14 -6.378 16.523 7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.451 16.443 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.251 17.838 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.391 17.477 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.272 18.964 5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.488 17.650 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.459 19.071 7.204 1.00 0.00 H new ATOM 177 N ASN A 15 -6.042 14.205 6.575 1.00 0.00 N ATOM 178 CA ASN A 15 -5.847 12.768 6.479 1.00 0.00 C ATOM 179 C ASN A 15 -7.001 12.153 5.685 1.00 0.00 C ATOM 180 O ASN A 15 -8.134 12.626 5.763 1.00 0.00 O ATOM 181 CB ASN A 15 -5.829 12.121 7.865 1.00 0.00 C ATOM 182 CG ASN A 15 -5.257 13.080 8.911 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.059 13.285 9.014 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.179 13.655 9.679 1.00 0.00 N ATOM 0 H ASN A 15 -7.005 14.515 6.441 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.892 12.590 5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.841 11.830 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.232 11.210 7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.899 14.312 10.407 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.166 13.439 9.539 1.00 0.00 H new ATOM 191 N ARG A 16 -6.674 11.108 4.940 1.00 0.00 N ATOM 192 CA ARG A 16 -7.669 10.423 4.133 1.00 0.00 C ATOM 193 C ARG A 16 -7.324 8.937 4.012 1.00 0.00 C ATOM 194 O ARG A 16 -6.175 8.582 3.753 1.00 0.00 O ATOM 195 CB ARG A 16 -7.758 11.035 2.733 1.00 0.00 C ATOM 196 CG ARG A 16 -8.973 10.495 1.975 1.00 0.00 C ATOM 197 CD ARG A 16 -10.270 11.103 2.515 1.00 0.00 C ATOM 198 NE ARG A 16 -10.561 12.375 1.817 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.764 12.965 1.801 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.795 12.401 2.445 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.937 14.119 1.142 1.00 0.00 N ATOM 0 H ARG A 16 -5.733 10.719 4.878 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.633 10.536 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.826 12.120 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.848 10.811 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.875 10.722 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.010 9.409 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.095 10.405 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.180 11.279 3.587 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.798 12.831 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.664 11.523 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.711 12.850 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.153 14.549 0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.853 14.567 1.130 1.00 0.00 H new ATOM 215 N GLN A 17 -8.340 8.109 4.204 1.00 0.00 N ATOM 216 CA GLN A 17 -8.159 6.670 4.120 1.00 0.00 C ATOM 217 C GLN A 17 -9.150 6.068 3.122 1.00 0.00 C ATOM 218 O GLN A 17 -10.230 6.616 2.907 1.00 0.00 O ATOM 219 CB GLN A 17 -8.303 6.018 5.497 1.00 0.00 C ATOM 220 CG GLN A 17 -9.628 6.408 6.153 1.00 0.00 C ATOM 221 CD GLN A 17 -10.067 5.354 7.172 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.334 4.981 8.072 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.301 4.897 6.979 1.00 0.00 N ATOM 0 H GLN A 17 -9.292 8.407 4.418 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.148 6.471 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.248 4.934 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.474 6.322 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.523 7.374 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.397 6.522 5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.861 5.253 6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.687 4.191 7.605 1.00 0.00 H new ATOM 232 N LEU A 18 -8.747 4.948 2.540 1.00 0.00 N ATOM 233 CA LEU A 18 -9.587 4.265 1.569 1.00 0.00 C ATOM 234 C LEU A 18 -9.517 2.757 1.814 1.00 0.00 C ATOM 235 O LEU A 18 -8.669 2.285 2.569 1.00 0.00 O ATOM 236 CB LEU A 18 -9.204 4.676 0.146 1.00 0.00 C ATOM 237 CG LEU A 18 -8.991 6.174 -0.085 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.910 6.418 -1.140 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.308 6.865 -0.443 1.00 0.00 C ATOM 0 H LEU A 18 -7.851 4.496 2.722 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.629 4.560 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.288 4.152 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.984 4.331 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.637 6.617 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.779 7.490 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.970 5.979 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.210 5.959 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.129 7.928 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.714 6.425 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.020 6.735 0.372 1.00 0.00 H new ATOM 251 N LYS A 19 -10.420 2.041 1.159 1.00 0.00 N ATOM 252 CA LYS A 19 -10.472 0.596 1.296 1.00 0.00 C ATOM 253 C LYS A 19 -10.175 -0.051 -0.059 1.00 0.00 C ATOM 254 O LYS A 19 -11.050 -0.130 -0.919 1.00 0.00 O ATOM 255 CB LYS A 19 -11.807 0.162 1.904 1.00 0.00 C ATOM 256 CG LYS A 19 -12.958 0.395 0.923 1.00 0.00 C ATOM 257 CD LYS A 19 -13.292 -0.886 0.155 1.00 0.00 C ATOM 258 CE LYS A 19 -14.722 -1.344 0.450 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.581 -1.160 -0.741 1.00 0.00 N ATOM 0 H LYS A 19 -11.121 2.435 0.532 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.705 0.252 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.762 -0.893 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.990 0.718 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.839 0.738 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.688 1.184 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.175 -0.714 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.590 -1.673 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.720 -2.393 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.126 -0.777 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.548 -1.476 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.596 -0.154 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.203 -1.721 -1.531 1.00 0.00 H new ATOM 273 N VAL A 20 -8.936 -0.498 -0.206 1.00 0.00 N ATOM 274 CA VAL A 20 -8.512 -1.136 -1.441 1.00 0.00 C ATOM 275 C VAL A 20 -8.960 -2.598 -1.434 1.00 0.00 C ATOM 276 O VAL A 20 -8.319 -3.445 -0.815 1.00 0.00 O ATOM 277 CB VAL A 20 -7.001 -0.974 -1.621 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.482 -1.882 -2.738 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.634 0.487 -1.887 1.00 0.00 C ATOM 0 H VAL A 20 -8.212 -0.431 0.510 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.981 -0.657 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.518 -1.276 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.406 -1.748 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.695 -2.922 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.975 -1.624 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.555 0.574 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.132 0.828 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.953 1.101 -1.045 1.00 0.00 H new ATOM 289 N LYS A 21 -10.059 -2.851 -2.131 1.00 0.00 N ATOM 290 CA LYS A 21 -10.600 -4.196 -2.214 1.00 0.00 C ATOM 291 C LYS A 21 -9.550 -5.127 -2.824 1.00 0.00 C ATOM 292 O LYS A 21 -9.249 -5.034 -4.013 1.00 0.00 O ATOM 293 CB LYS A 21 -11.932 -4.193 -2.967 1.00 0.00 C ATOM 294 CG LYS A 21 -11.707 -4.278 -4.479 1.00 0.00 C ATOM 295 CD LYS A 21 -12.982 -3.920 -5.244 1.00 0.00 C ATOM 296 CE LYS A 21 -13.016 -2.429 -5.586 1.00 0.00 C ATOM 297 NZ LYS A 21 -14.379 -2.021 -5.991 1.00 0.00 N ATOM 0 H LYS A 21 -10.589 -2.146 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.825 -4.578 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.542 -5.035 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.487 -3.285 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.903 -3.602 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.389 -5.286 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.038 -4.508 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.855 -4.179 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.696 -1.845 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.313 -2.219 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.384 -1.006 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.670 -2.566 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.042 -2.203 -5.211 1.00 0.00 H new ATOM 311 N VAL A 22 -9.023 -6.004 -1.983 1.00 0.00 N ATOM 312 CA VAL A 22 -8.013 -6.951 -2.425 1.00 0.00 C ATOM 313 C VAL A 22 -8.597 -8.365 -2.392 1.00 0.00 C ATOM 314 O VAL A 22 -9.815 -8.538 -2.411 1.00 0.00 O ATOM 315 CB VAL A 22 -6.751 -6.806 -1.573 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.332 -5.338 -1.458 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.948 -7.430 -0.190 1.00 0.00 C ATOM 0 H VAL A 22 -9.276 -6.079 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.720 -6.744 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.946 -7.346 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.432 -5.263 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.130 -4.938 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.135 -4.766 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.036 -7.313 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.773 -6.932 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.176 -8.490 -0.298 1.00 0.00 H new ATOM 327 N ALA A 23 -7.701 -9.340 -2.344 1.00 0.00 N ATOM 328 CA ALA A 23 -8.112 -10.733 -2.308 1.00 0.00 C ATOM 329 C ALA A 23 -7.244 -11.491 -1.302 1.00 0.00 C ATOM 330 O ALA A 23 -7.760 -12.117 -0.378 1.00 0.00 O ATOM 331 CB ALA A 23 -8.028 -11.327 -3.716 1.00 0.00 C ATOM 0 H ALA A 23 -6.692 -9.193 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.148 -10.819 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.336 -12.372 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.686 -10.772 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.002 -11.261 -4.078 1.00 0.00 H new ATOM 337 N ASP A 24 -5.939 -11.410 -1.516 1.00 0.00 N ATOM 338 CA ASP A 24 -4.993 -12.080 -0.640 1.00 0.00 C ATOM 339 C ASP A 24 -4.829 -11.266 0.645 1.00 0.00 C ATOM 340 O ASP A 24 -4.288 -10.162 0.619 1.00 0.00 O ATOM 341 CB ASP A 24 -3.619 -12.201 -1.302 1.00 0.00 C ATOM 342 CG ASP A 24 -3.640 -12.690 -2.752 1.00 0.00 C ATOM 343 OD1 ASP A 24 -4.161 -13.805 -2.967 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.134 -11.937 -3.612 1.00 0.00 O ATOM 0 H ASP A 24 -5.514 -10.890 -2.284 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.379 -13.077 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.130 -11.227 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.008 -12.884 -0.713 1.00 0.00 H new ATOM 349 N ARG A 25 -5.307 -11.843 1.738 1.00 0.00 N ATOM 350 CA ARG A 25 -5.220 -11.184 3.030 1.00 0.00 C ATOM 351 C ARG A 25 -3.882 -11.503 3.699 1.00 0.00 C ATOM 352 O ARG A 25 -3.209 -12.462 3.325 1.00 0.00 O ATOM 353 CB ARG A 25 -6.361 -11.625 3.950 1.00 0.00 C ATOM 354 CG ARG A 25 -6.319 -13.136 4.190 1.00 0.00 C ATOM 355 CD ARG A 25 -6.288 -13.453 5.686 1.00 0.00 C ATOM 356 NE ARG A 25 -6.557 -14.892 5.904 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.743 -15.476 5.686 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.777 -14.747 5.243 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.896 -16.788 5.911 1.00 0.00 N ATOM 0 H ARG A 25 -5.755 -12.759 1.755 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.298 -10.110 2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.289 -11.100 4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.318 -11.350 3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.191 -13.605 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.439 -13.560 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.316 -13.189 6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.032 -12.852 6.209 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.792 -15.476 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.661 -13.748 5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.680 -15.191 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.109 -17.343 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.799 -17.232 5.745 1.00 0.00 H new ATOM 373 N ARG A 26 -3.535 -10.680 4.678 1.00 0.00 N ATOM 374 CA ARG A 26 -2.289 -10.862 5.403 1.00 0.00 C ATOM 375 C ARG A 26 -2.563 -11.438 6.793 1.00 0.00 C ATOM 376 O ARG A 26 -3.161 -10.773 7.638 1.00 0.00 O ATOM 377 CB ARG A 26 -1.537 -9.537 5.547 1.00 0.00 C ATOM 378 CG ARG A 26 -0.132 -9.763 6.109 1.00 0.00 C ATOM 379 CD ARG A 26 0.230 -8.682 7.129 1.00 0.00 C ATOM 380 NE ARG A 26 1.700 -8.524 7.199 1.00 0.00 N ATOM 381 CZ ARG A 26 2.337 -7.841 8.160 1.00 0.00 C ATOM 382 NH1 ARG A 26 1.638 -7.249 9.138 1.00 0.00 N ATOM 383 NH2 ARG A 26 3.674 -7.750 8.143 1.00 0.00 N ATOM 0 H ARG A 26 -4.095 -9.885 4.986 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.672 -11.557 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.470 -9.045 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.093 -8.869 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.078 -10.745 6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.594 -9.759 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.233 -7.736 6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.162 -8.950 8.110 1.00 0.00 H new ATOM 0 HE ARG A 26 2.263 -8.962 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.620 -7.318 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.123 -6.729 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.206 -8.201 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.159 -7.230 8.874 1.00 0.00 H new ATOM 397 N VAL A 27 -2.113 -12.669 6.988 1.00 0.00 N ATOM 398 CA VAL A 27 -2.303 -13.343 8.262 1.00 0.00 C ATOM 399 C VAL A 27 -0.970 -13.390 9.011 1.00 0.00 C ATOM 400 O VAL A 27 0.091 -13.472 8.394 1.00 0.00 O ATOM 401 CB VAL A 27 -2.911 -14.728 8.036 1.00 0.00 C ATOM 402 CG1 VAL A 27 -1.903 -15.668 7.372 1.00 0.00 C ATOM 403 CG2 VAL A 27 -3.431 -15.319 9.348 1.00 0.00 C ATOM 0 H VAL A 27 -1.617 -13.217 6.285 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.008 -12.792 8.885 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.759 -14.616 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.361 -16.646 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.603 -15.257 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.026 -15.772 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.858 -16.304 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.608 -15.410 10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.197 -14.665 9.763 1.00 0.00 H new ATOM 413 N ILE A 28 -1.068 -13.338 10.332 1.00 0.00 N ATOM 414 CA ILE A 28 0.117 -13.374 11.172 1.00 0.00 C ATOM 415 C ILE A 28 0.963 -12.127 10.908 1.00 0.00 C ATOM 416 O ILE A 28 1.036 -11.651 9.776 1.00 0.00 O ATOM 417 CB ILE A 28 0.877 -14.687 10.971 1.00 0.00 C ATOM 418 CG1 ILE A 28 0.064 -15.876 11.487 1.00 0.00 C ATOM 419 CG2 ILE A 28 2.265 -14.620 11.610 1.00 0.00 C ATOM 420 CD1 ILE A 28 0.174 -17.070 10.537 1.00 0.00 C ATOM 0 H ILE A 28 -1.950 -13.271 10.841 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.162 -13.352 12.225 1.00 0.00 H new ATOM 0 HB ILE A 28 1.022 -14.837 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.419 -16.161 12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.982 -15.587 11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.784 -15.566 11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.837 -13.812 11.154 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.165 -14.435 12.679 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.413 -17.901 10.928 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.204 -16.789 9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.218 -17.372 10.451 1.00 0.00 H new ATOM 432 N SER A 29 1.580 -11.634 11.971 1.00 0.00 N ATOM 433 CA SER A 29 2.418 -10.451 11.868 1.00 0.00 C ATOM 434 C SER A 29 3.571 -10.710 10.896 1.00 0.00 C ATOM 435 O SER A 29 3.825 -9.905 10.001 1.00 0.00 O ATOM 436 CB SER A 29 2.962 -10.040 13.238 1.00 0.00 C ATOM 437 OG SER A 29 3.970 -9.038 13.134 1.00 0.00 O ATOM 0 H SER A 29 1.517 -12.032 12.908 1.00 0.00 H new ATOM 0 HA SER A 29 1.807 -9.632 11.489 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.144 -9.669 13.856 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.371 -10.915 13.743 1.00 0.00 H new ATOM 0 HG SER A 29 4.290 -8.802 14.030 1.00 0.00 H new ATOM 443 N THR A 30 4.238 -11.835 11.105 1.00 0.00 N ATOM 444 CA THR A 30 5.358 -12.210 10.258 1.00 0.00 C ATOM 445 C THR A 30 6.491 -11.191 10.391 1.00 0.00 C ATOM 446 O THR A 30 6.244 -9.987 10.454 1.00 0.00 O ATOM 447 CB THR A 30 4.839 -12.358 8.826 1.00 0.00 C ATOM 448 OG1 THR A 30 4.230 -13.647 8.809 1.00 0.00 O ATOM 449 CG2 THR A 30 5.970 -12.467 7.802 1.00 0.00 C ATOM 0 H THR A 30 4.025 -12.500 11.849 1.00 0.00 H new ATOM 0 HA THR A 30 5.784 -13.165 10.565 1.00 0.00 H new ATOM 0 HB THR A 30 4.207 -11.505 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.865 -13.825 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.547 -12.570 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.587 -11.569 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.583 -13.339 8.028 1.00 0.00 H new ATOM 457 N THR A 31 7.709 -11.710 10.428 1.00 0.00 N ATOM 458 CA THR A 31 8.882 -10.861 10.552 1.00 0.00 C ATOM 459 C THR A 31 8.810 -10.037 11.840 1.00 0.00 C ATOM 460 O THR A 31 8.386 -8.882 11.819 1.00 0.00 O ATOM 461 CB THR A 31 8.981 -10.005 9.288 1.00 0.00 C ATOM 462 OG1 THR A 31 9.340 -10.933 8.268 1.00 0.00 O ATOM 463 CG2 THR A 31 10.158 -9.028 9.334 1.00 0.00 C ATOM 0 H THR A 31 7.909 -12.709 10.374 1.00 0.00 H new ATOM 0 HA THR A 31 9.793 -11.454 10.633 1.00 0.00 H new ATOM 0 HB THR A 31 8.053 -9.450 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.424 -10.462 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.183 -8.445 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.041 -8.357 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.089 -9.585 9.436 1.00 0.00 H new ATOM 471 N ASP A 32 9.229 -10.663 12.929 1.00 0.00 N ATOM 472 CA ASP A 32 9.218 -10.003 14.223 1.00 0.00 C ATOM 473 C ASP A 32 10.271 -8.893 14.234 1.00 0.00 C ATOM 474 O ASP A 32 11.320 -9.021 13.604 1.00 0.00 O ATOM 475 CB ASP A 32 9.555 -10.985 15.347 1.00 0.00 C ATOM 476 CG ASP A 32 10.736 -11.915 15.060 1.00 0.00 C ATOM 477 OD1 ASP A 32 11.867 -11.389 14.984 1.00 0.00 O ATOM 478 OD2 ASP A 32 10.480 -13.131 14.923 1.00 0.00 O ATOM 0 H ASP A 32 9.579 -11.621 12.942 1.00 0.00 H new ATOM 0 HA ASP A 32 8.219 -9.599 14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.770 -10.418 16.252 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.675 -11.593 15.554 1.00 0.00 H new ATOM 483 N ALA A 33 9.955 -7.828 14.957 1.00 0.00 N ATOM 484 CA ALA A 33 10.862 -6.697 15.059 1.00 0.00 C ATOM 485 C ALA A 33 11.051 -6.075 13.674 1.00 0.00 C ATOM 486 O ALA A 33 11.602 -6.709 12.775 1.00 0.00 O ATOM 487 CB ALA A 33 12.184 -7.156 15.678 1.00 0.00 C ATOM 0 H ALA A 33 9.084 -7.725 15.477 1.00 0.00 H new ATOM 0 HA ALA A 33 10.447 -5.929 15.712 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.864 -6.308 15.754 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.998 -7.563 16.672 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.633 -7.925 15.049 1.00 0.00 H new ATOM 493 N GLU A 34 10.585 -4.842 13.545 1.00 0.00 N ATOM 494 CA GLU A 34 10.696 -4.128 12.284 1.00 0.00 C ATOM 495 C GLU A 34 11.546 -2.868 12.461 1.00 0.00 C ATOM 496 O GLU A 34 11.567 -2.275 13.539 1.00 0.00 O ATOM 497 CB GLU A 34 9.314 -3.782 11.726 1.00 0.00 C ATOM 498 CG GLU A 34 8.678 -4.995 11.044 1.00 0.00 C ATOM 499 CD GLU A 34 7.706 -5.707 11.987 1.00 0.00 C ATOM 500 OE1 GLU A 34 8.204 -6.399 12.900 1.00 0.00 O ATOM 501 OE2 GLU A 34 6.485 -5.542 11.773 1.00 0.00 O ATOM 0 H GLU A 34 10.130 -4.319 14.293 1.00 0.00 H new ATOM 0 HA GLU A 34 11.190 -4.779 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.669 -3.434 12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.401 -2.963 11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.150 -4.676 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.457 -5.689 10.727 1.00 0.00 H new ATOM 508 N ARG A 35 12.228 -2.498 11.387 1.00 0.00 N ATOM 509 CA ARG A 35 13.078 -1.320 11.411 1.00 0.00 C ATOM 510 C ARG A 35 13.633 -1.037 10.013 1.00 0.00 C ATOM 511 O ARG A 35 13.488 0.069 9.495 1.00 0.00 O ATOM 512 CB ARG A 35 14.243 -1.500 12.386 1.00 0.00 C ATOM 513 CG ARG A 35 14.069 -0.609 13.618 1.00 0.00 C ATOM 514 CD ARG A 35 15.380 -0.489 14.398 1.00 0.00 C ATOM 515 NE ARG A 35 15.921 0.883 14.270 1.00 0.00 N ATOM 516 CZ ARG A 35 17.166 1.235 14.621 1.00 0.00 C ATOM 517 NH1 ARG A 35 18.005 0.319 15.122 1.00 0.00 N ATOM 518 NH2 ARG A 35 17.571 2.503 14.470 1.00 0.00 N ATOM 0 H ARG A 35 12.209 -2.993 10.495 1.00 0.00 H new ATOM 0 HA ARG A 35 12.468 -0.479 11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.307 -2.544 12.694 1.00 0.00 H new ATOM 0 HB3 ARG A 35 15.181 -1.257 11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.733 0.381 13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.294 -1.022 14.264 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.211 -0.726 15.448 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.104 -1.211 14.021 1.00 0.00 H new ATOM 0 HE ARG A 35 15.308 1.605 13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.697 -0.647 15.236 1.00 0.00 H new ATOM 0 HH12 ARG A 35 18.952 0.587 15.389 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.932 3.200 14.088 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.518 2.771 14.737 1.00 0.00 H new ATOM 532 N GLN A 36 14.256 -2.057 9.441 1.00 0.00 N ATOM 533 CA GLN A 36 14.832 -1.933 8.113 1.00 0.00 C ATOM 534 C GLN A 36 13.760 -2.161 7.045 1.00 0.00 C ATOM 535 O GLN A 36 12.600 -2.410 7.369 1.00 0.00 O ATOM 536 CB GLN A 36 16.002 -2.902 7.930 1.00 0.00 C ATOM 537 CG GLN A 36 17.342 -2.178 8.079 1.00 0.00 C ATOM 538 CD GLN A 36 18.242 -2.892 9.089 1.00 0.00 C ATOM 539 OE1 GLN A 36 17.891 -3.910 9.662 1.00 0.00 O ATOM 540 NE2 GLN A 36 19.420 -2.303 9.275 1.00 0.00 N ATOM 0 H GLN A 36 14.374 -2.973 9.873 1.00 0.00 H new ATOM 0 HA GLN A 36 15.220 -0.921 8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.934 -3.703 8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.943 -3.367 6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.842 -2.129 7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.171 -1.151 8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.651 -1.452 8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.092 -2.703 9.930 1.00 0.00 H new ATOM 549 N ALA A 37 14.187 -2.066 5.794 1.00 0.00 N ATOM 550 CA ALA A 37 13.278 -2.259 4.677 1.00 0.00 C ATOM 551 C ALA A 37 12.736 -3.689 4.707 1.00 0.00 C ATOM 552 O ALA A 37 13.492 -4.639 4.904 1.00 0.00 O ATOM 553 CB ALA A 37 14.002 -1.937 3.369 1.00 0.00 C ATOM 0 H ALA A 37 15.150 -1.858 5.530 1.00 0.00 H new ATOM 0 HA ALA A 37 12.427 -1.583 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.320 -2.082 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.341 -0.901 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.861 -2.598 3.256 1.00 0.00 H new ATOM 559 N VAL A 38 11.430 -3.798 4.508 1.00 0.00 N ATOM 560 CA VAL A 38 10.779 -5.096 4.510 1.00 0.00 C ATOM 561 C VAL A 38 9.899 -5.222 3.264 1.00 0.00 C ATOM 562 O VAL A 38 9.972 -4.389 2.362 1.00 0.00 O ATOM 563 CB VAL A 38 10.000 -5.289 5.813 1.00 0.00 C ATOM 564 CG1 VAL A 38 10.930 -5.205 7.025 1.00 0.00 C ATOM 565 CG2 VAL A 38 8.859 -4.276 5.925 1.00 0.00 C ATOM 0 H VAL A 38 10.806 -3.008 4.344 1.00 0.00 H new ATOM 0 HA VAL A 38 11.520 -5.895 4.468 1.00 0.00 H new ATOM 0 HB VAL A 38 9.561 -6.287 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.351 -5.345 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.691 -5.982 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.411 -4.227 7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.322 -4.435 6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.267 -3.265 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.174 -4.405 5.087 1.00 0.00 H new ATOM 575 N THR A 39 9.090 -6.271 3.254 1.00 0.00 N ATOM 576 CA THR A 39 8.198 -6.517 2.133 1.00 0.00 C ATOM 577 C THR A 39 6.854 -5.821 2.359 1.00 0.00 C ATOM 578 O THR A 39 6.461 -5.578 3.498 1.00 0.00 O ATOM 579 CB THR A 39 8.075 -8.031 1.950 1.00 0.00 C ATOM 580 OG1 THR A 39 7.652 -8.502 3.226 1.00 0.00 O ATOM 581 CG2 THR A 39 9.431 -8.706 1.734 1.00 0.00 C ATOM 0 H THR A 39 9.033 -6.960 4.004 1.00 0.00 H new ATOM 0 HA THR A 39 8.596 -6.095 1.210 1.00 0.00 H new ATOM 0 HB THR A 39 7.425 -8.242 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.546 -9.476 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.287 -9.779 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.903 -8.297 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.070 -8.523 2.598 1.00 0.00 H new ATOM 589 N PRO A 40 6.169 -5.513 1.225 1.00 0.00 N ATOM 590 CA PRO A 40 6.707 -5.837 -0.085 1.00 0.00 C ATOM 591 C PRO A 40 7.837 -4.878 -0.466 1.00 0.00 C ATOM 592 O PRO A 40 7.764 -3.683 -0.184 1.00 0.00 O ATOM 593 CB PRO A 40 5.517 -5.758 -1.029 1.00 0.00 C ATOM 594 CG PRO A 40 4.460 -4.945 -0.300 1.00 0.00 C ATOM 595 CD PRO A 40 4.869 -4.851 1.161 1.00 0.00 C ATOM 0 HA PRO A 40 7.162 -6.827 -0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.795 -5.283 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.145 -6.753 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.375 -3.950 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.483 -5.419 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.937 -3.813 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.142 -5.342 1.808 1.00 0.00 H new ATOM 603 N PRO A 41 8.882 -5.453 -1.119 1.00 0.00 N ATOM 604 CA PRO A 41 10.026 -4.663 -1.541 1.00 0.00 C ATOM 605 C PRO A 41 9.683 -3.814 -2.767 1.00 0.00 C ATOM 606 O PRO A 41 9.825 -4.269 -3.901 1.00 0.00 O ATOM 607 CB PRO A 41 11.127 -5.676 -1.810 1.00 0.00 C ATOM 608 CG PRO A 41 10.428 -7.016 -1.977 1.00 0.00 C ATOM 609 CD PRO A 41 9.003 -6.865 -1.470 1.00 0.00 C ATOM 0 HA PRO A 41 10.341 -3.943 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.688 -5.414 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.839 -5.707 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.430 -7.320 -3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.952 -7.792 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.279 -7.146 -2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.820 -7.505 -0.607 1.00 0.00 H new ATOM 617 N GLY A 42 9.239 -2.595 -2.497 1.00 0.00 N ATOM 618 CA GLY A 42 8.875 -1.678 -3.564 1.00 0.00 C ATOM 619 C GLY A 42 7.743 -0.747 -3.125 1.00 0.00 C ATOM 620 O GLY A 42 7.861 0.472 -3.231 1.00 0.00 O ATOM 0 H GLY A 42 9.123 -2.221 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.744 -1.088 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.566 -2.242 -4.444 1.00 0.00 H new ATOM 624 N LEU A 43 6.672 -1.359 -2.640 1.00 0.00 N ATOM 625 CA LEU A 43 5.519 -0.600 -2.184 1.00 0.00 C ATOM 626 C LEU A 43 5.995 0.578 -1.332 1.00 0.00 C ATOM 627 O LEU A 43 5.493 1.693 -1.472 1.00 0.00 O ATOM 628 CB LEU A 43 4.525 -1.516 -1.468 1.00 0.00 C ATOM 629 CG LEU A 43 3.121 -0.946 -1.256 1.00 0.00 C ATOM 630 CD1 LEU A 43 2.472 -0.576 -2.592 1.00 0.00 C ATOM 631 CD2 LEU A 43 2.253 -1.911 -0.446 1.00 0.00 C ATOM 0 H LEU A 43 6.578 -2.371 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 43 4.977 -0.182 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.438 -2.441 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.940 -1.779 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 43 3.210 -0.028 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.475 -0.173 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.081 0.174 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.397 -1.465 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.261 -1.481 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.168 -2.858 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.711 -2.082 0.528 1.00 0.00 H new ATOM 643 N GLN A 44 6.957 0.292 -0.468 1.00 0.00 N ATOM 644 CA GLN A 44 7.506 1.314 0.407 1.00 0.00 C ATOM 645 C GLN A 44 8.335 2.315 -0.401 1.00 0.00 C ATOM 646 O GLN A 44 8.364 3.503 -0.082 1.00 0.00 O ATOM 647 CB GLN A 44 8.340 0.688 1.526 1.00 0.00 C ATOM 648 CG GLN A 44 9.334 -0.331 0.965 1.00 0.00 C ATOM 649 CD GLN A 44 10.749 -0.059 1.479 1.00 0.00 C ATOM 650 OE1 GLN A 44 11.116 -0.423 2.584 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.519 0.600 0.618 1.00 0.00 N ATOM 0 H GLN A 44 7.371 -0.633 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 44 6.678 1.849 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.878 1.469 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.682 0.201 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.027 -1.338 1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.325 -0.291 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.148 0.875 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.481 0.831 0.867 1.00 0.00 H new ATOM 660 N GLU A 45 8.989 1.798 -1.431 1.00 0.00 N ATOM 661 CA GLU A 45 9.816 2.632 -2.286 1.00 0.00 C ATOM 662 C GLU A 45 8.939 3.528 -3.163 1.00 0.00 C ATOM 663 O GLU A 45 9.104 4.747 -3.171 1.00 0.00 O ATOM 664 CB GLU A 45 10.754 1.778 -3.142 1.00 0.00 C ATOM 665 CG GLU A 45 11.654 2.657 -4.012 1.00 0.00 C ATOM 666 CD GLU A 45 11.244 2.574 -5.484 1.00 0.00 C ATOM 667 OE1 GLU A 45 11.331 1.456 -6.035 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.852 3.631 -6.025 1.00 0.00 O ATOM 0 H GLU A 45 8.963 0.812 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 45 10.433 3.269 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.368 1.148 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.168 1.112 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.596 3.691 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.692 2.343 -3.902 1.00 0.00 H new ATOM 675 N ALA A 46 8.025 2.890 -3.879 1.00 0.00 N ATOM 676 CA ALA A 46 7.121 3.614 -4.757 1.00 0.00 C ATOM 677 C ALA A 46 6.532 4.807 -4.002 1.00 0.00 C ATOM 678 O ALA A 46 6.809 5.957 -4.338 1.00 0.00 O ATOM 679 CB ALA A 46 6.042 2.662 -5.277 1.00 0.00 C ATOM 0 H ALA A 46 7.891 1.879 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 46 7.656 4.003 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.364 3.205 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.511 1.848 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.481 2.253 -4.436 1.00 0.00 H new ATOM 685 N ILE A 47 5.729 4.492 -2.996 1.00 0.00 N ATOM 686 CA ILE A 47 5.098 5.524 -2.191 1.00 0.00 C ATOM 687 C ILE A 47 6.170 6.479 -1.662 1.00 0.00 C ATOM 688 O ILE A 47 5.998 7.696 -1.707 1.00 0.00 O ATOM 689 CB ILE A 47 4.238 4.896 -1.092 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.103 4.064 -1.693 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.718 5.962 -0.126 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.815 2.830 -0.835 1.00 0.00 C ATOM 0 H ILE A 47 5.501 3.537 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 47 4.414 6.116 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 47 4.864 4.217 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.203 4.674 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.370 3.755 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.110 5.489 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.561 6.473 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.112 6.685 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.004 2.256 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.710 2.210 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.525 3.144 0.168 1.00 0.00 H new ATOM 704 N ASN A 48 7.252 5.891 -1.173 1.00 0.00 N ATOM 705 CA ASN A 48 8.351 6.675 -0.636 1.00 0.00 C ATOM 706 C ASN A 48 8.793 7.706 -1.677 1.00 0.00 C ATOM 707 O ASN A 48 8.935 8.887 -1.364 1.00 0.00 O ATOM 708 CB ASN A 48 9.554 5.786 -0.312 1.00 0.00 C ATOM 709 CG ASN A 48 10.847 6.604 -0.279 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.892 7.723 0.204 1.00 0.00 O ATOM 711 ND2 ASN A 48 11.892 5.984 -0.818 1.00 0.00 N ATOM 0 H ASN A 48 7.391 4.881 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 48 8.005 7.161 0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.402 5.300 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.638 4.996 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.801 6.446 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.785 5.046 -1.205 1.00 0.00 H new ATOM 718 N ASP A 49 8.997 7.222 -2.893 1.00 0.00 N ATOM 719 CA ASP A 49 9.419 8.087 -3.982 1.00 0.00 C ATOM 720 C ASP A 49 8.403 9.219 -4.151 1.00 0.00 C ATOM 721 O ASP A 49 8.760 10.322 -4.563 1.00 0.00 O ATOM 722 CB ASP A 49 9.492 7.317 -5.301 1.00 0.00 C ATOM 723 CG ASP A 49 10.582 7.789 -6.266 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.447 8.566 -5.809 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.525 7.361 -7.439 1.00 0.00 O ATOM 0 H ASP A 49 8.878 6.242 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 49 10.407 8.478 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.655 6.262 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.527 7.392 -5.802 1.00 0.00 H new ATOM 730 N LEU A 50 7.158 8.907 -3.824 1.00 0.00 N ATOM 731 CA LEU A 50 6.088 9.884 -3.935 1.00 0.00 C ATOM 732 C LEU A 50 6.116 10.806 -2.714 1.00 0.00 C ATOM 733 O LEU A 50 6.140 12.028 -2.855 1.00 0.00 O ATOM 734 CB LEU A 50 4.744 9.185 -4.147 1.00 0.00 C ATOM 735 CG LEU A 50 4.292 9.026 -5.601 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.500 7.731 -5.790 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.506 10.253 -6.068 1.00 0.00 C ATOM 0 H LEU A 50 6.866 7.991 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 50 6.236 10.513 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.796 8.195 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.978 9.743 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 50 5.180 8.955 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.191 7.642 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.126 6.879 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.618 7.747 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.197 10.114 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.624 10.381 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.136 11.139 -5.993 1.00 0.00 H new ATOM 749 N VAL A 51 6.113 10.185 -1.544 1.00 0.00 N ATOM 750 CA VAL A 51 6.137 10.934 -0.299 1.00 0.00 C ATOM 751 C VAL A 51 7.293 11.936 -0.335 1.00 0.00 C ATOM 752 O VAL A 51 7.253 12.959 0.347 1.00 0.00 O ATOM 753 CB VAL A 51 6.217 9.973 0.889 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.424 10.736 2.198 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.972 9.087 0.961 1.00 0.00 C ATOM 0 H VAL A 51 6.094 9.171 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 51 5.215 11.503 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 51 7.081 9.325 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.477 10.030 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.353 11.304 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.590 11.419 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.054 8.413 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.087 9.712 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.887 8.503 0.044 1.00 0.00 H new ATOM 765 N LYS A 52 8.294 11.608 -1.138 1.00 0.00 N ATOM 766 CA LYS A 52 9.459 12.466 -1.271 1.00 0.00 C ATOM 767 C LYS A 52 9.186 13.525 -2.342 1.00 0.00 C ATOM 768 O LYS A 52 9.659 14.656 -2.237 1.00 0.00 O ATOM 769 CB LYS A 52 10.713 11.631 -1.538 1.00 0.00 C ATOM 770 CG LYS A 52 11.369 11.194 -0.226 1.00 0.00 C ATOM 771 CD LYS A 52 12.758 11.817 -0.074 1.00 0.00 C ATOM 772 CE LYS A 52 12.954 12.382 1.335 1.00 0.00 C ATOM 773 NZ LYS A 52 14.386 12.365 1.705 1.00 0.00 N ATOM 0 H LYS A 52 8.323 10.760 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 52 9.650 12.996 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.451 10.753 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.422 12.211 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.741 11.488 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.449 10.107 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.522 11.066 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.887 12.611 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.573 13.402 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.380 11.795 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.501 12.752 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.739 11.387 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.926 12.944 1.031 1.00 0.00 H new ATOM 787 N LYS A 53 8.425 13.120 -3.348 1.00 0.00 N ATOM 788 CA LYS A 53 8.084 14.020 -4.437 1.00 0.00 C ATOM 789 C LYS A 53 7.101 15.078 -3.931 1.00 0.00 C ATOM 790 O LYS A 53 7.063 16.193 -4.448 1.00 0.00 O ATOM 791 CB LYS A 53 7.570 13.230 -5.643 1.00 0.00 C ATOM 792 CG LYS A 53 8.730 12.728 -6.505 1.00 0.00 C ATOM 793 CD LYS A 53 8.535 13.122 -7.970 1.00 0.00 C ATOM 794 CE LYS A 53 7.214 12.577 -8.514 1.00 0.00 C ATOM 795 NZ LYS A 53 6.702 13.444 -9.599 1.00 0.00 N ATOM 0 H LYS A 53 8.035 12.181 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 53 8.971 14.550 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.974 12.384 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.913 13.861 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.668 13.142 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.806 11.644 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.550 14.208 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.363 12.739 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.359 11.564 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.480 12.518 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.805 13.059 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.545 14.404 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.396 13.479 -10.372 1.00 0.00 H new ATOM 809 N TYR A 54 6.331 14.690 -2.925 1.00 0.00 N ATOM 810 CA TYR A 54 5.351 15.591 -2.342 1.00 0.00 C ATOM 811 C TYR A 54 5.963 16.400 -1.197 1.00 0.00 C ATOM 812 O TYR A 54 7.085 16.129 -0.771 1.00 0.00 O ATOM 813 CB TYR A 54 4.238 14.701 -1.785 1.00 0.00 C ATOM 814 CG TYR A 54 3.241 14.217 -2.840 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.698 13.642 -4.008 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.886 14.357 -2.623 1.00 0.00 C ATOM 817 CE1 TYR A 54 2.760 13.186 -5.001 1.00 0.00 C ATOM 818 CE2 TYR A 54 0.947 13.902 -3.616 1.00 0.00 C ATOM 819 CZ TYR A 54 1.431 13.339 -4.756 1.00 0.00 C ATOM 820 OH TYR A 54 0.545 12.908 -5.694 1.00 0.00 O ATOM 0 H TYR A 54 6.366 13.764 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 54 4.987 16.297 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.688 13.834 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.698 15.252 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.759 13.534 -4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.529 14.808 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.104 12.733 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.117 14.005 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.285 12.627 -5.255 1.00 0.00 H new ATOM 830 N THR A 55 5.198 17.376 -0.730 1.00 0.00 N ATOM 831 CA THR A 55 5.651 18.226 0.358 1.00 0.00 C ATOM 832 C THR A 55 5.056 17.755 1.686 1.00 0.00 C ATOM 833 O THR A 55 3.837 17.685 1.835 1.00 0.00 O ATOM 834 CB THR A 55 5.291 19.672 0.010 1.00 0.00 C ATOM 835 OG1 THR A 55 6.489 20.203 -0.549 1.00 0.00 O ATOM 836 CG2 THR A 55 5.047 20.530 1.253 1.00 0.00 C ATOM 0 H THR A 55 4.268 17.597 -1.085 1.00 0.00 H new ATOM 0 HA THR A 55 6.732 18.166 0.483 1.00 0.00 H new ATOM 0 HB THR A 55 4.401 19.683 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.344 21.138 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.795 21.546 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.224 20.109 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.948 20.547 1.866 1.00 0.00 H new ATOM 844 N LEU A 56 5.944 17.443 2.619 1.00 0.00 N ATOM 845 CA LEU A 56 5.522 16.980 3.930 1.00 0.00 C ATOM 846 C LEU A 56 4.365 15.992 3.768 1.00 0.00 C ATOM 847 O LEU A 56 3.323 16.142 4.405 1.00 0.00 O ATOM 848 CB LEU A 56 5.195 18.167 4.837 1.00 0.00 C ATOM 849 CG LEU A 56 6.387 19.013 5.291 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.589 18.129 5.631 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.734 20.076 4.247 1.00 0.00 C ATOM 0 H LEU A 56 6.954 17.502 2.493 1.00 0.00 H new ATOM 0 HA LEU A 56 6.332 16.445 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.493 18.816 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.683 17.792 5.723 1.00 0.00 H new ATOM 0 HG LEU A 56 6.105 19.538 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.422 18.755 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.321 17.444 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.881 17.558 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.584 20.663 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.989 19.591 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.877 20.732 4.097 1.00 0.00 H new ATOM 863 N ALA A 57 4.587 15.004 2.914 1.00 0.00 N ATOM 864 CA ALA A 57 3.576 13.991 2.661 1.00 0.00 C ATOM 865 C ALA A 57 3.867 12.760 3.522 1.00 0.00 C ATOM 866 O ALA A 57 4.952 12.635 4.087 1.00 0.00 O ATOM 867 CB ALA A 57 3.544 13.663 1.167 1.00 0.00 C ATOM 0 H ALA A 57 5.453 14.883 2.388 1.00 0.00 H new ATOM 0 HA ALA A 57 2.587 14.359 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.786 12.903 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.304 14.564 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.519 13.288 0.856 1.00 0.00 H new ATOM 873 N ARG A 58 2.877 11.882 3.596 1.00 0.00 N ATOM 874 CA ARG A 58 3.013 10.666 4.379 1.00 0.00 C ATOM 875 C ARG A 58 1.917 9.667 4.002 1.00 0.00 C ATOM 876 O ARG A 58 0.732 9.995 4.046 1.00 0.00 O ATOM 877 CB ARG A 58 2.929 10.963 5.878 1.00 0.00 C ATOM 878 CG ARG A 58 4.280 10.733 6.558 1.00 0.00 C ATOM 879 CD ARG A 58 4.120 10.633 8.076 1.00 0.00 C ATOM 880 NE ARG A 58 4.740 11.807 8.730 1.00 0.00 N ATOM 881 CZ ARG A 58 6.032 12.140 8.607 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.848 11.390 7.855 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.507 13.223 9.236 1.00 0.00 N ATOM 0 H ARG A 58 1.978 11.989 3.127 1.00 0.00 H new ATOM 0 HA ARG A 58 3.991 10.238 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.612 11.994 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.173 10.326 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.733 9.818 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.958 11.551 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.063 10.578 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.585 9.717 8.439 1.00 0.00 H new ATOM 0 HE ARG A 58 4.147 12.400 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.486 10.565 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.832 11.643 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.885 13.794 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.491 13.477 9.143 1.00 0.00 H new ATOM 897 N ALA A 59 2.351 8.469 3.641 1.00 0.00 N ATOM 898 CA ALA A 59 1.421 7.420 3.257 1.00 0.00 C ATOM 899 C ALA A 59 1.825 6.111 3.938 1.00 0.00 C ATOM 900 O ALA A 59 3.008 5.867 4.170 1.00 0.00 O ATOM 901 CB ALA A 59 1.391 7.298 1.732 1.00 0.00 C ATOM 0 H ALA A 59 3.334 8.201 3.606 1.00 0.00 H new ATOM 0 HA ALA A 59 0.411 7.664 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.694 6.511 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.070 8.245 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.388 7.051 1.367 1.00 0.00 H new ATOM 907 N PHE A 60 0.819 5.304 4.241 1.00 0.00 N ATOM 908 CA PHE A 60 1.055 4.026 4.892 1.00 0.00 C ATOM 909 C PHE A 60 -0.103 3.059 4.636 1.00 0.00 C ATOM 910 O PHE A 60 -1.151 3.459 4.132 1.00 0.00 O ATOM 911 CB PHE A 60 1.152 4.301 6.394 1.00 0.00 C ATOM 912 CG PHE A 60 2.297 5.239 6.782 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.585 4.877 6.539 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.026 6.435 7.370 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.647 5.747 6.899 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.088 7.305 7.731 1.00 0.00 C ATOM 917 CZ PHE A 60 4.377 6.943 7.487 1.00 0.00 C ATOM 0 H PHE A 60 -0.161 5.510 4.048 1.00 0.00 H new ATOM 0 HA PHE A 60 1.966 3.572 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.211 4.732 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.278 3.354 6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.800 3.927 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.003 6.723 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.670 5.459 6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.873 8.254 8.199 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.185 7.605 7.760 1.00 0.00 H new ATOM 927 N VAL A 61 0.126 1.805 4.995 1.00 0.00 N ATOM 928 CA VAL A 61 -0.885 0.777 4.811 1.00 0.00 C ATOM 929 C VAL A 61 -1.136 0.070 6.144 1.00 0.00 C ATOM 930 O VAL A 61 -0.213 -0.115 6.936 1.00 0.00 O ATOM 931 CB VAL A 61 -0.460 -0.181 3.697 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.664 0.453 2.320 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.991 -0.630 3.884 1.00 0.00 C ATOM 0 H VAL A 61 0.997 1.477 5.413 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.829 1.222 4.496 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.095 -1.065 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.354 -0.250 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.717 0.699 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.066 1.362 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.268 -1.310 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.647 0.241 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.093 -1.140 4.842 1.00 0.00 H new ATOM 943 N ARG A 62 -2.390 -0.306 6.352 1.00 0.00 N ATOM 944 CA ARG A 62 -2.774 -0.988 7.575 1.00 0.00 C ATOM 945 C ARG A 62 -3.983 -1.891 7.322 1.00 0.00 C ATOM 946 O ARG A 62 -5.055 -1.410 6.958 1.00 0.00 O ATOM 947 CB ARG A 62 -3.116 0.013 8.680 1.00 0.00 C ATOM 948 CG ARG A 62 -2.856 -0.587 10.064 1.00 0.00 C ATOM 949 CD ARG A 62 -3.424 0.309 11.166 1.00 0.00 C ATOM 950 NE ARG A 62 -4.120 -0.514 12.180 1.00 0.00 N ATOM 951 CZ ARG A 62 -4.649 -0.026 13.309 1.00 0.00 C ATOM 952 NH1 ARG A 62 -4.565 1.284 13.577 1.00 0.00 N ATOM 953 NH2 ARG A 62 -5.262 -0.848 14.172 1.00 0.00 N ATOM 0 H ARG A 62 -3.153 -0.151 5.693 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.926 -1.592 7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.520 0.917 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.162 0.307 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.308 -1.577 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.784 -0.717 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.620 0.876 11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.116 1.033 10.736 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.202 -1.516 12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.098 1.910 12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.968 1.655 14.437 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.326 -1.846 13.969 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.665 -0.476 15.032 1.00 0.00 H new ATOM 967 N PRO A 63 -3.765 -3.217 7.531 1.00 0.00 N ATOM 968 CA PRO A 63 -4.824 -4.191 7.330 1.00 0.00 C ATOM 969 C PRO A 63 -5.838 -4.142 8.475 1.00 0.00 C ATOM 970 O PRO A 63 -5.481 -4.345 9.634 1.00 0.00 O ATOM 971 CB PRO A 63 -4.112 -5.529 7.224 1.00 0.00 C ATOM 972 CG PRO A 63 -2.734 -5.319 7.830 1.00 0.00 C ATOM 973 CD PRO A 63 -2.508 -3.821 7.963 1.00 0.00 C ATOM 0 HA PRO A 63 -5.411 -3.995 6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.659 -6.306 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.037 -5.850 6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.667 -5.803 8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.967 -5.766 7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.269 -3.546 8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.675 -3.489 7.343 1.00 0.00 H new ATOM 981 N SER A 64 -7.083 -3.873 8.109 1.00 0.00 N ATOM 982 CA SER A 64 -8.151 -3.795 9.091 1.00 0.00 C ATOM 983 C SER A 64 -9.272 -4.768 8.722 1.00 0.00 C ATOM 984 O SER A 64 -10.073 -4.490 7.830 1.00 0.00 O ATOM 985 CB SER A 64 -8.699 -2.370 9.197 1.00 0.00 C ATOM 986 OG SER A 64 -8.852 -1.957 10.552 1.00 0.00 O ATOM 0 H SER A 64 -7.376 -3.706 7.146 1.00 0.00 H new ATOM 0 HA SER A 64 -7.743 -4.072 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.027 -1.684 8.682 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.662 -2.313 8.690 1.00 0.00 H new ATOM 0 HG SER A 64 -9.202 -1.042 10.578 1.00 0.00 H new ATOM 992 N GLY A 65 -9.294 -5.890 9.427 1.00 0.00 N ATOM 993 CA GLY A 65 -10.304 -6.907 9.185 1.00 0.00 C ATOM 994 C GLY A 65 -9.704 -8.114 8.462 1.00 0.00 C ATOM 995 O GLY A 65 -9.379 -8.035 7.278 1.00 0.00 O ATOM 0 H GLY A 65 -8.629 -6.117 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.739 -7.225 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.113 -6.486 8.588 1.00 0.00 H new ATOM 999 N THR A 66 -9.574 -9.204 9.204 1.00 0.00 N ATOM 1000 CA THR A 66 -9.019 -10.426 8.649 1.00 0.00 C ATOM 1001 C THR A 66 -9.571 -10.672 7.243 1.00 0.00 C ATOM 1002 O THR A 66 -8.882 -11.230 6.390 1.00 0.00 O ATOM 1003 CB THR A 66 -9.314 -11.566 9.625 1.00 0.00 C ATOM 1004 OG1 THR A 66 -8.167 -11.606 10.469 1.00 0.00 O ATOM 1005 CG2 THR A 66 -9.323 -12.935 8.942 1.00 0.00 C ATOM 0 H THR A 66 -9.844 -9.266 10.186 1.00 0.00 H new ATOM 0 HA THR A 66 -7.938 -10.351 8.532 1.00 0.00 H new ATOM 0 HB THR A 66 -10.278 -11.393 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.275 -12.318 11.134 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.537 -13.708 9.680 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.090 -12.950 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.348 -13.123 8.492 1.00 0.00 H new ATOM 1013 N GLU A 67 -10.809 -10.244 7.045 1.00 0.00 N ATOM 1014 CA GLU A 67 -11.462 -10.411 5.758 1.00 0.00 C ATOM 1015 C GLU A 67 -10.654 -9.716 4.659 1.00 0.00 C ATOM 1016 O GLU A 67 -9.531 -9.274 4.895 1.00 0.00 O ATOM 1017 CB GLU A 67 -12.898 -9.885 5.798 1.00 0.00 C ATOM 1018 CG GLU A 67 -13.896 -10.987 5.440 1.00 0.00 C ATOM 1019 CD GLU A 67 -15.141 -10.909 6.327 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -16.056 -10.143 5.954 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -15.150 -11.617 7.357 1.00 0.00 O ATOM 0 H GLU A 67 -11.377 -9.782 7.755 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.507 -11.476 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.120 -9.498 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.004 -9.053 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.185 -10.895 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.423 -11.962 5.556 1.00 0.00 H new ATOM 1028 N ASP A 68 -11.259 -9.641 3.483 1.00 0.00 N ATOM 1029 CA ASP A 68 -10.610 -9.007 2.347 1.00 0.00 C ATOM 1030 C ASP A 68 -10.590 -7.492 2.557 1.00 0.00 C ATOM 1031 O ASP A 68 -11.003 -7.001 3.607 1.00 0.00 O ATOM 1032 CB ASP A 68 -11.367 -9.294 1.049 1.00 0.00 C ATOM 1033 CG ASP A 68 -11.943 -10.707 0.935 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -11.281 -11.633 1.453 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -13.032 -10.829 0.334 1.00 0.00 O ATOM 0 H ASP A 68 -12.191 -10.008 3.292 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.599 -9.407 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.183 -8.577 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.694 -9.123 0.208 1.00 0.00 H new ATOM 1040 N ILE A 69 -10.105 -6.792 1.542 1.00 0.00 N ATOM 1041 CA ILE A 69 -10.026 -5.342 1.602 1.00 0.00 C ATOM 1042 C ILE A 69 -8.870 -4.937 2.520 1.00 0.00 C ATOM 1043 O ILE A 69 -8.522 -5.668 3.446 1.00 0.00 O ATOM 1044 CB ILE A 69 -11.375 -4.748 2.013 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -12.524 -5.433 1.271 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -11.388 -3.231 1.817 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -13.873 -5.068 1.894 1.00 0.00 C ATOM 0 H ILE A 69 -9.763 -7.202 0.673 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.810 -4.931 0.616 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.522 -4.936 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.512 -5.137 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.387 -6.514 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.358 -2.834 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -10.606 -2.779 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.209 -2.998 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.673 -5.568 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.891 -5.387 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.018 -3.989 1.842 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.307 -3.773 2.230 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.198 -3.261 3.018 1.00 0.00 C ATOM 1061 C VAL A 70 -7.433 -1.780 3.319 1.00 0.00 C ATOM 1062 O VAL A 70 -7.934 -1.042 2.472 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.877 -3.522 2.291 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.738 -2.716 2.920 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.547 -5.016 2.272 1.00 0.00 C ATOM 0 H VAL A 70 -8.598 -3.170 1.461 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.136 -3.780 3.974 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.991 -3.192 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.810 -2.919 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.967 -1.652 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.624 -3.002 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.603 -5.174 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.461 -5.383 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.341 -5.558 1.758 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.059 -1.389 4.529 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.223 -0.009 4.952 1.00 0.00 C ATOM 1077 C ARG A 71 -5.950 0.789 4.665 1.00 0.00 C ATOM 1078 O ARG A 71 -4.864 0.413 5.104 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.542 0.075 6.447 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.040 0.283 6.677 1.00 0.00 C ATOM 1081 CD ARG A 71 -9.395 1.771 6.662 1.00 0.00 C ATOM 1082 NE ARG A 71 -10.858 1.941 6.519 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.744 1.677 7.489 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.320 1.228 8.679 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -13.053 1.860 7.270 1.00 0.00 N ATOM 0 H ARG A 71 -6.643 -2.004 5.229 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.056 0.413 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.218 -0.840 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.984 0.897 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.606 -0.237 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.329 -0.154 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.054 2.244 7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.881 2.268 5.839 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.215 2.281 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.324 1.088 8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.994 1.027 9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.376 2.201 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.727 1.659 8.009 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.125 1.877 3.928 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.003 2.731 3.577 1.00 0.00 C ATOM 1101 C VAL A 72 -5.116 4.053 4.338 1.00 0.00 C ATOM 1102 O VAL A 72 -6.207 4.446 4.749 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.944 2.919 2.059 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.972 4.039 1.683 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.570 1.610 1.360 1.00 0.00 C ATOM 0 H VAL A 72 -7.027 2.186 3.565 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.062 2.266 3.871 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.937 3.210 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.949 4.152 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.300 4.973 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.974 3.791 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.535 1.770 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.593 1.277 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.316 0.849 1.590 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.974 4.704 4.504 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.931 5.974 5.209 1.00 0.00 C ATOM 1117 C TYR A 73 -2.836 6.879 4.642 1.00 0.00 C ATOM 1118 O TYR A 73 -1.752 6.408 4.301 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.596 5.637 6.663 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.817 6.797 7.637 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.078 7.332 7.798 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.753 7.308 8.353 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.286 8.423 8.715 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -2.961 8.399 9.270 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.217 8.903 9.405 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.412 9.934 10.270 1.00 0.00 O ATOM 0 H TYR A 73 -3.071 4.376 4.162 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.880 6.501 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.205 4.790 6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.555 5.320 6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.910 6.933 7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.765 6.890 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.269 8.850 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.138 8.808 9.838 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.561 10.172 10.693 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.156 8.162 4.559 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.213 9.137 4.040 1.00 0.00 C ATOM 1138 C ALA A 74 -2.457 10.487 4.717 1.00 0.00 C ATOM 1139 O ALA A 74 -3.594 10.829 5.037 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.347 9.216 2.518 1.00 0.00 C ATOM 0 H ALA A 74 -4.056 8.549 4.843 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.189 8.837 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.639 9.948 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.136 8.239 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.361 9.518 2.257 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.369 11.218 4.916 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.451 12.523 5.550 1.00 0.00 C ATOM 1148 C GLU A 75 -0.349 13.441 5.018 1.00 0.00 C ATOM 1149 O GLU A 75 0.832 13.106 5.090 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.373 12.399 7.073 1.00 0.00 C ATOM 1151 CG GLU A 75 0.032 11.987 7.518 1.00 0.00 C ATOM 1152 CD GLU A 75 0.807 13.187 8.066 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.729 14.255 7.421 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.460 13.008 9.117 1.00 0.00 O ATOM 0 H GLU A 75 -0.427 10.931 4.650 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.416 12.965 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.640 13.350 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.099 11.663 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.037 11.214 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.572 11.555 6.676 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.774 14.581 4.494 1.00 0.00 N ATOM 1162 CA ALA A 76 0.162 15.550 3.950 1.00 0.00 C ATOM 1163 C ALA A 76 -0.086 16.913 4.600 1.00 0.00 C ATOM 1164 O ALA A 76 -1.123 17.127 5.226 1.00 0.00 O ATOM 1165 CB ALA A 76 0.021 15.596 2.427 1.00 0.00 C ATOM 0 H ALA A 76 -1.755 14.856 4.435 1.00 0.00 H new ATOM 0 HA ALA A 76 1.189 15.260 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.723 16.323 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.236 14.611 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.996 15.887 2.164 1.00 0.00 H new ATOM 1171 N ASN A 77 0.883 17.800 4.428 1.00 0.00 N ATOM 1172 CA ASN A 77 0.783 19.136 4.990 1.00 0.00 C ATOM 1173 C ASN A 77 -0.442 19.840 4.404 1.00 0.00 C ATOM 1174 O ASN A 77 -0.970 20.776 5.004 1.00 0.00 O ATOM 1175 CB ASN A 77 2.018 19.972 4.647 1.00 0.00 C ATOM 1176 CG ASN A 77 1.787 21.449 4.968 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.257 21.810 6.007 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.212 22.282 4.022 1.00 0.00 N ATOM 0 H ASN A 77 1.741 17.619 3.907 1.00 0.00 H new ATOM 0 HA ASN A 77 0.701 19.041 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.877 19.604 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.256 19.859 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.103 23.289 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.647 21.914 3.176 1.00 0.00 H new ATOM 1185 N SER A 78 -0.858 19.365 3.240 1.00 0.00 N ATOM 1186 CA SER A 78 -2.011 19.937 2.566 1.00 0.00 C ATOM 1187 C SER A 78 -2.993 18.830 2.178 1.00 0.00 C ATOM 1188 O SER A 78 -2.585 17.773 1.701 1.00 0.00 O ATOM 1189 CB SER A 78 -1.588 20.730 1.328 1.00 0.00 C ATOM 1190 OG SER A 78 -0.228 21.149 1.401 1.00 0.00 O ATOM 0 H SER A 78 -0.417 18.590 2.746 1.00 0.00 H new ATOM 0 HA SER A 78 -2.503 20.625 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.731 20.117 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.231 21.603 1.220 1.00 0.00 H new ATOM 0 HG SER A 78 0.004 21.650 0.591 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.269 19.112 2.398 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.313 18.153 2.078 1.00 0.00 C ATOM 1198 C GLN A 79 -5.280 17.811 0.587 1.00 0.00 C ATOM 1199 O GLN A 79 -5.600 16.690 0.196 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.689 18.682 2.489 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.754 17.591 2.368 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.156 18.168 2.578 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.338 19.346 2.837 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.133 17.274 2.451 1.00 0.00 N ATOM 0 H GLN A 79 -4.603 19.991 2.794 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.127 17.241 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.651 19.046 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.959 19.530 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.692 17.125 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.564 16.809 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.910 16.303 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.105 17.560 2.572 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.890 18.799 -0.206 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.810 18.617 -1.645 1.00 0.00 C ATOM 1215 C GLU A 80 -3.879 17.451 -1.982 1.00 0.00 C ATOM 1216 O GLU A 80 -4.081 16.758 -2.978 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.352 19.903 -2.336 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.361 20.344 -3.398 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.879 19.969 -4.801 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.936 18.761 -5.117 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.464 20.899 -5.526 1.00 0.00 O ATOM 0 H GLU A 80 -4.626 19.728 0.122 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.806 18.379 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.229 20.694 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.378 19.744 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.326 19.876 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.511 21.422 -3.337 1.00 0.00 H new ATOM 1228 N SER A 81 -2.878 17.271 -1.133 1.00 0.00 N ATOM 1229 CA SER A 81 -1.914 16.201 -1.329 1.00 0.00 C ATOM 1230 C SER A 81 -2.408 14.921 -0.650 1.00 0.00 C ATOM 1231 O SER A 81 -2.309 13.835 -1.219 1.00 0.00 O ATOM 1232 CB SER A 81 -0.538 16.592 -0.785 1.00 0.00 C ATOM 1233 OG SER A 81 -0.506 17.945 -0.339 1.00 0.00 O ATOM 0 H SER A 81 -2.713 17.848 -0.308 1.00 0.00 H new ATOM 0 HA SER A 81 -1.814 16.023 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.273 15.932 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.213 16.448 -1.562 1.00 0.00 H new ATOM 0 HG SER A 81 -1.048 18.035 0.473 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.929 15.092 0.556 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.438 13.965 1.318 1.00 0.00 C ATOM 1241 C ALA A 82 -4.315 13.098 0.413 1.00 0.00 C ATOM 1242 O ALA A 82 -3.958 11.964 0.098 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.195 14.478 2.545 1.00 0.00 C ATOM 0 H ALA A 82 -3.010 15.995 1.024 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.618 13.343 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.577 13.632 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.521 15.064 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.027 15.104 2.224 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.446 13.664 0.020 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.377 12.957 -0.843 1.00 0.00 C ATOM 1251 C ASP A 83 -5.606 12.306 -1.993 1.00 0.00 C ATOM 1252 O ASP A 83 -5.625 11.086 -2.146 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.406 13.915 -1.447 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.846 13.400 -1.450 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -9.005 12.160 -1.466 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.756 14.257 -1.436 1.00 0.00 O ATOM 0 H ASP A 83 -5.739 14.605 0.283 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.892 12.208 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.373 14.854 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.114 14.138 -2.473 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.945 13.149 -2.772 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.169 12.671 -3.904 1.00 0.00 C ATOM 1263 C ARG A 84 -3.330 11.458 -3.497 1.00 0.00 C ATOM 1264 O ARG A 84 -3.528 10.360 -4.015 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.244 13.766 -4.439 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.681 14.220 -5.833 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.636 13.842 -6.885 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.867 14.613 -8.127 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.189 14.421 -9.268 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.235 13.482 -9.330 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.466 15.168 -10.345 1.00 0.00 N ATOM 0 H ARG A 84 -4.931 14.161 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.869 12.386 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.249 14.617 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.220 13.395 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.638 13.763 -6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.833 15.299 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.635 14.042 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.689 12.774 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.587 15.336 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.025 12.914 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.719 13.336 -10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.192 15.882 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.951 15.022 -11.213 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.410 11.697 -2.574 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.540 10.638 -2.092 1.00 0.00 C ATOM 1287 C LEU A 85 -2.388 9.423 -1.709 1.00 0.00 C ATOM 1288 O LEU A 85 -2.144 8.316 -2.188 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.651 11.149 -0.957 1.00 0.00 C ATOM 1290 CG LEU A 85 0.630 10.354 -0.698 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.671 10.623 -1.786 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.178 10.638 0.702 1.00 0.00 C ATOM 0 H LEU A 85 -2.248 12.609 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.858 10.317 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.377 12.181 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.239 11.162 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 85 0.387 9.292 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.572 10.046 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.268 10.330 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.916 11.685 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.089 10.060 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.401 11.701 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.435 10.356 1.448 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.365 9.670 -0.850 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.250 8.610 -0.397 1.00 0.00 C ATOM 1306 C ALA A 86 -4.794 7.853 -1.611 1.00 0.00 C ATOM 1307 O ALA A 86 -4.447 6.693 -1.830 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.364 9.207 0.464 1.00 0.00 C ATOM 0 H ALA A 86 -3.564 10.589 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.707 7.896 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.027 8.412 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.927 9.708 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.932 9.927 -0.125 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.638 8.539 -2.367 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.233 7.946 -3.552 1.00 0.00 C ATOM 1316 C TYR A 87 -5.169 7.274 -4.422 1.00 0.00 C ATOM 1317 O TYR A 87 -5.318 6.115 -4.806 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.857 9.104 -4.335 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.993 8.839 -5.835 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.700 7.740 -6.281 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.409 9.698 -6.744 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.828 7.490 -7.693 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -6.537 9.448 -8.156 1.00 0.00 C ATOM 1324 CZ TYR A 87 -7.240 8.357 -8.561 1.00 0.00 C ATOM 1325 OH TYR A 87 -7.361 8.121 -9.895 1.00 0.00 O ATOM 0 H TYR A 87 -5.924 9.500 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.964 7.186 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.843 9.318 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.250 9.997 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.157 7.068 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.856 10.558 -6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.378 6.634 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.085 10.112 -8.877 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.892 8.821 -10.395 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.119 8.029 -4.707 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.030 7.520 -5.524 1.00 0.00 C ATOM 1337 C GLU A 88 -2.485 6.220 -4.931 1.00 0.00 C ATOM 1338 O GLU A 88 -2.508 5.178 -5.584 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.921 8.564 -5.671 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.400 9.760 -6.496 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.524 9.958 -7.735 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.479 10.627 -7.590 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.921 9.435 -8.799 1.00 0.00 O ATOM 0 H GLU A 88 -3.999 8.990 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.417 7.307 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.602 8.902 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.052 8.112 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.436 9.606 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.378 10.661 -5.883 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.006 6.323 -3.700 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.455 5.168 -3.012 1.00 0.00 C ATOM 1352 C VAL A 89 -2.315 3.940 -3.317 1.00 0.00 C ATOM 1353 O VAL A 89 -1.800 2.907 -3.741 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.337 5.458 -1.514 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.161 4.164 -0.717 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.194 6.435 -1.233 1.00 0.00 C ATOM 0 H VAL A 89 -1.988 7.189 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.447 4.956 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.266 5.927 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.080 4.399 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.022 3.516 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.256 3.654 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.132 6.624 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.746 6.005 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.380 7.373 -1.757 1.00 0.00 H new ATOM 1366 N SER A 90 -3.612 4.094 -3.089 1.00 0.00 N ATOM 1367 CA SER A 90 -4.548 3.010 -3.334 1.00 0.00 C ATOM 1368 C SER A 90 -4.179 2.282 -4.628 1.00 0.00 C ATOM 1369 O SER A 90 -3.799 1.112 -4.599 1.00 0.00 O ATOM 1370 CB SER A 90 -5.985 3.531 -3.409 1.00 0.00 C ATOM 1371 OG SER A 90 -6.269 4.466 -2.373 1.00 0.00 O ATOM 0 H SER A 90 -4.036 4.953 -2.738 1.00 0.00 H new ATOM 0 HA SER A 90 -4.487 2.310 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.149 4.003 -4.378 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.678 2.693 -3.341 1.00 0.00 H new ATOM 0 HG SER A 90 -6.615 3.990 -1.589 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.304 3.004 -5.732 1.00 0.00 N ATOM 1378 CA LEU A 91 -3.988 2.441 -7.034 1.00 0.00 C ATOM 1379 C LEU A 91 -2.620 1.758 -6.971 1.00 0.00 C ATOM 1380 O LEU A 91 -2.474 0.614 -7.400 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.090 3.514 -8.120 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.505 3.969 -8.482 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.173 4.674 -7.300 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -5.495 4.842 -9.739 1.00 0.00 C ATOM 0 H LEU A 91 -4.620 3.974 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.715 1.675 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.521 4.386 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.609 3.136 -9.022 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.101 3.085 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.178 4.987 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.232 3.989 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.586 5.548 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.513 5.152 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.878 5.724 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.087 4.273 -10.574 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.654 2.487 -6.433 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.304 1.965 -6.308 1.00 0.00 C ATOM 1398 C LEU A 92 -0.353 0.586 -5.648 1.00 0.00 C ATOM 1399 O LEU A 92 0.383 -0.320 -6.037 1.00 0.00 O ATOM 1400 CB LEU A 92 0.592 2.966 -5.575 1.00 0.00 C ATOM 1401 CG LEU A 92 0.452 4.429 -6.001 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.746 5.202 -5.740 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.005 4.534 -7.460 1.00 0.00 C ATOM 0 H LEU A 92 -1.779 3.435 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 92 0.145 1.831 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.382 2.897 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.630 2.665 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.326 4.890 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.620 6.239 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.981 5.169 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.560 4.750 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.087 5.584 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.742 4.052 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.959 4.041 -7.581 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.229 0.469 -4.660 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.384 -0.785 -3.942 1.00 0.00 C ATOM 1417 C VAL A 93 -2.067 -1.808 -4.852 1.00 0.00 C ATOM 1418 O VAL A 93 -1.595 -2.935 -4.988 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.142 -0.548 -2.634 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -1.890 -1.685 -1.641 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.774 0.805 -2.024 1.00 0.00 C ATOM 0 H VAL A 93 -1.838 1.222 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.410 -1.192 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.208 -0.533 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.440 -1.492 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.226 -2.627 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.824 -1.746 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.327 0.948 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.704 0.832 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.028 1.601 -2.724 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.167 -1.377 -5.452 1.00 0.00 N ATOM 1432 CA PHE A 94 -3.919 -2.241 -6.346 1.00 0.00 C ATOM 1433 C PHE A 94 -3.001 -2.886 -7.387 1.00 0.00 C ATOM 1434 O PHE A 94 -3.160 -4.060 -7.717 1.00 0.00 O ATOM 1435 CB PHE A 94 -4.943 -1.360 -7.063 1.00 0.00 C ATOM 1436 CG PHE A 94 -5.737 -2.088 -8.150 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.718 -2.964 -7.805 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -5.462 -1.857 -9.462 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.454 -3.639 -8.814 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -6.199 -2.532 -10.471 1.00 0.00 C ATOM 1441 CZ PHE A 94 -7.180 -3.409 -10.126 1.00 0.00 C ATOM 0 H PHE A 94 -3.555 -0.441 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.396 -3.039 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.639 -0.957 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.426 -0.511 -7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.937 -3.146 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.683 -1.161 -9.736 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.232 -4.336 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.981 -2.349 -11.513 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.741 -3.922 -10.893 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.060 -2.090 -7.874 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.117 -2.568 -8.870 1.00 0.00 C ATOM 1453 C GLN A 95 0.106 -3.187 -8.189 1.00 0.00 C ATOM 1454 O GLN A 95 0.394 -4.368 -8.377 1.00 0.00 O ATOM 1455 CB GLN A 95 -0.704 -1.442 -9.820 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.593 -1.422 -11.065 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.784 -1.747 -12.322 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.116 -0.904 -12.897 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -0.879 -3.015 -12.714 1.00 0.00 N ATOM 0 H GLN A 95 -1.931 -1.117 -7.597 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.607 -3.339 -9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.772 -0.484 -9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.337 -1.573 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.401 -2.145 -10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.056 -0.441 -11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.456 -3.670 -12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.374 -3.332 -13.542 1.00 0.00 H new ATOM 1468 N LEU A 96 0.792 -2.362 -7.412 1.00 0.00 N ATOM 1469 CA LEU A 96 1.977 -2.813 -6.703 1.00 0.00 C ATOM 1470 C LEU A 96 1.623 -4.036 -5.854 1.00 0.00 C ATOM 1471 O LEU A 96 2.067 -5.146 -6.143 1.00 0.00 O ATOM 1472 CB LEU A 96 2.590 -1.664 -5.900 1.00 0.00 C ATOM 1473 CG LEU A 96 4.037 -1.863 -5.443 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.135 -2.981 -4.403 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.960 -2.110 -6.638 1.00 0.00 C ATOM 0 H LEU A 96 0.550 -1.383 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 96 2.747 -3.126 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.542 -0.758 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.972 -1.492 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 96 4.372 -0.945 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.174 -3.102 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.527 -2.725 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.774 -3.914 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.982 -2.248 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.635 -3.004 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.921 -1.254 -7.311 1.00 0.00 H new ATOM 1487 N ALA A 97 0.826 -3.791 -4.824 1.00 0.00 N ATOM 1488 CA ALA A 97 0.407 -4.859 -3.932 1.00 0.00 C ATOM 1489 C ALA A 97 -0.276 -5.960 -4.746 1.00 0.00 C ATOM 1490 O ALA A 97 0.331 -6.991 -5.034 1.00 0.00 O ATOM 1491 CB ALA A 97 -0.505 -4.288 -2.844 1.00 0.00 C ATOM 0 H ALA A 97 0.460 -2.869 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 97 1.269 -5.303 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.819 -5.089 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.036 -3.532 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.383 -3.836 -3.305 1.00 0.00 H new ATOM 1497 N GLY A 98 -1.528 -5.704 -5.094 1.00 0.00 N ATOM 1498 CA GLY A 98 -2.300 -6.660 -5.869 1.00 0.00 C ATOM 1499 C GLY A 98 -3.769 -6.653 -5.444 1.00 0.00 C ATOM 1500 O GLY A 98 -4.215 -7.541 -4.720 1.00 0.00 O ATOM 0 H GLY A 98 -2.027 -4.848 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.224 -6.420 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.885 -7.659 -5.738 1.00 0.00 H new ATOM 1504 N GLY A 99 -4.482 -5.639 -5.912 1.00 0.00 N ATOM 1505 CA GLY A 99 -5.893 -5.503 -5.589 1.00 0.00 C ATOM 1506 C GLY A 99 -6.767 -6.117 -6.685 1.00 0.00 C ATOM 1507 O GLY A 99 -6.298 -6.361 -7.795 1.00 0.00 O ATOM 0 H GLY A 99 -4.109 -4.904 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.101 -5.991 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.142 -4.449 -5.468 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.024 -6.348 -6.334 1.00 0.00 N ATOM 1512 CA ILE A 100 -8.968 -6.928 -7.273 1.00 0.00 C ATOM 1513 C ILE A 100 -9.975 -5.859 -7.704 1.00 0.00 C ATOM 1514 O ILE A 100 -10.272 -4.939 -6.943 1.00 0.00 O ATOM 1515 CB ILE A 100 -9.617 -8.179 -6.677 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.575 -7.812 -5.542 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.556 -9.186 -6.229 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.491 -8.988 -5.196 1.00 0.00 C ATOM 0 H ILE A 100 -8.410 -6.144 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.452 -7.262 -8.173 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.210 -8.660 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.005 -7.519 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.177 -6.951 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.044 -10.066 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.950 -9.481 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.918 -8.730 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.162 -8.701 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.077 -9.263 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.887 -9.839 -4.882 1.00 0.00 H new ATOM 1530 N GLY A 101 -10.471 -6.015 -8.922 1.00 0.00 N ATOM 1531 CA GLY A 101 -11.438 -5.075 -9.463 1.00 0.00 C ATOM 1532 C GLY A 101 -10.896 -4.395 -10.722 1.00 0.00 C ATOM 1533 O GLY A 101 -10.158 -5.006 -11.493 1.00 0.00 O ATOM 0 H GLY A 101 -10.221 -6.779 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.366 -5.597 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.677 -4.321 -8.713 1.00 0.00 H new ATOM 1537 N GLU A 102 -11.284 -3.139 -10.891 1.00 0.00 N ATOM 1538 CA GLU A 102 -10.847 -2.370 -12.043 1.00 0.00 C ATOM 1539 C GLU A 102 -10.247 -1.036 -11.594 1.00 0.00 C ATOM 1540 O GLU A 102 -10.642 0.022 -12.082 1.00 0.00 O ATOM 1541 CB GLU A 102 -12.000 -2.150 -13.025 1.00 0.00 C ATOM 1542 CG GLU A 102 -12.368 -3.452 -13.739 1.00 0.00 C ATOM 1543 CD GLU A 102 -13.186 -3.172 -15.001 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -14.423 -3.059 -14.861 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -12.557 -3.078 -16.077 1.00 0.00 O ATOM 0 H GLU A 102 -11.896 -2.635 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.074 -2.937 -12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.869 -1.766 -12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.718 -1.395 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.461 -3.996 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.939 -4.092 -13.066 1.00 0.00 H new ATOM 1552 N ARG A 103 -9.304 -1.129 -10.668 1.00 0.00 N ATOM 1553 CA ARG A 103 -8.646 0.057 -10.148 1.00 0.00 C ATOM 1554 C ARG A 103 -9.666 0.979 -9.479 1.00 0.00 C ATOM 1555 O ARG A 103 -10.714 1.272 -10.053 1.00 0.00 O ATOM 1556 CB ARG A 103 -7.929 0.823 -11.261 1.00 0.00 C ATOM 1557 CG ARG A 103 -6.450 1.021 -10.926 1.00 0.00 C ATOM 1558 CD ARG A 103 -5.732 1.784 -12.042 1.00 0.00 C ATOM 1559 NE ARG A 103 -4.855 0.864 -12.800 1.00 0.00 N ATOM 1560 CZ ARG A 103 -3.950 1.264 -13.704 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -3.798 2.568 -13.968 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -3.197 0.358 -14.344 1.00 0.00 N ATOM 0 H ARG A 103 -8.980 -2.008 -10.264 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.909 -0.268 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.023 0.279 -12.201 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.406 1.793 -11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.356 1.568 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.974 0.052 -10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.462 2.238 -12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.141 2.596 -11.617 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.945 -0.137 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.371 3.257 -13.481 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.109 2.872 -14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.313 -0.635 -14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.508 0.662 -15.032 1.00 0.00 H new ATOM 1576 N PRO A 104 -9.316 1.423 -8.242 1.00 0.00 N ATOM 1577 CA PRO A 104 -10.190 2.306 -7.488 1.00 0.00 C ATOM 1578 C PRO A 104 -10.146 3.729 -8.049 1.00 0.00 C ATOM 1579 O PRO A 104 -9.080 4.228 -8.404 1.00 0.00 O ATOM 1580 CB PRO A 104 -9.696 2.218 -6.053 1.00 0.00 C ATOM 1581 CG PRO A 104 -8.286 1.657 -6.132 1.00 0.00 C ATOM 1582 CD PRO A 104 -8.084 1.097 -7.530 1.00 0.00 C ATOM 0 HA PRO A 104 -11.239 2.016 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.700 3.199 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.341 1.572 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.553 2.436 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.143 0.877 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.216 1.545 -8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.914 0.021 -7.505 1.00 0.00 H new ATOM 1590 N GLN A 105 -11.319 4.343 -8.110 1.00 0.00 N ATOM 1591 CA GLN A 105 -11.428 5.699 -8.621 1.00 0.00 C ATOM 1592 C GLN A 105 -11.844 6.656 -7.502 1.00 0.00 C ATOM 1593 O GLN A 105 -12.500 6.250 -6.545 1.00 0.00 O ATOM 1594 CB GLN A 105 -12.410 5.766 -9.793 1.00 0.00 C ATOM 1595 CG GLN A 105 -11.811 5.127 -11.047 1.00 0.00 C ATOM 1596 CD GLN A 105 -11.037 6.159 -11.871 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -9.821 6.237 -11.832 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -11.809 6.944 -12.618 1.00 0.00 N ATOM 0 H GLN A 105 -12.202 3.926 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.450 6.007 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.335 5.255 -9.527 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -12.667 6.805 -9.998 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.147 4.311 -10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.606 4.694 -11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.822 6.825 -12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.388 7.664 -13.205 1.00 0.00 H new ATOM 1607 N PRO A 106 -11.433 7.943 -7.665 1.00 0.00 N ATOM 1608 CA PRO A 106 -11.756 8.961 -6.680 1.00 0.00 C ATOM 1609 C PRO A 106 -13.224 9.379 -6.784 1.00 0.00 C ATOM 1610 O PRO A 106 -13.826 9.283 -7.853 1.00 0.00 O ATOM 1611 CB PRO A 106 -10.792 10.101 -6.963 1.00 0.00 C ATOM 1612 CG PRO A 106 -10.283 9.876 -8.377 1.00 0.00 C ATOM 1613 CD PRO A 106 -10.655 8.460 -8.786 1.00 0.00 C ATOM 0 HA PRO A 106 -11.643 8.606 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.292 11.066 -6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.970 10.103 -6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.725 10.600 -9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.203 10.015 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.237 8.454 -9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.767 7.853 -8.965 1.00 0.00 H new ATOM 1621 N SER A 107 -13.758 9.835 -5.661 1.00 0.00 N ATOM 1622 CA SER A 107 -15.144 10.268 -5.612 1.00 0.00 C ATOM 1623 C SER A 107 -15.261 11.705 -6.125 1.00 0.00 C ATOM 1624 O SER A 107 -15.324 12.646 -5.336 1.00 0.00 O ATOM 1625 CB SER A 107 -15.704 10.164 -4.193 1.00 0.00 C ATOM 1626 OG SER A 107 -17.080 10.530 -4.134 1.00 0.00 O ATOM 0 H SER A 107 -13.255 9.914 -4.777 1.00 0.00 H new ATOM 0 HA SER A 107 -15.731 9.610 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 107 -15.585 9.143 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 107 -15.129 10.808 -3.528 1.00 0.00 H new ATOM 0 HG SER A 107 -17.401 10.449 -3.212 1.00 0.00 H new ATOM 1632 N GLY A 108 -15.286 11.828 -7.444 1.00 0.00 N ATOM 1633 CA GLY A 108 -15.395 13.134 -8.072 1.00 0.00 C ATOM 1634 C GLY A 108 -14.786 13.120 -9.475 1.00 0.00 C ATOM 1635 O GLY A 108 -14.229 12.111 -9.904 1.00 0.00 O ATOM 0 H GLY A 108 -15.233 11.045 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -16.443 13.427 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.888 13.880 -7.459 1.00 0.00 H new ATOM 1639 N PRO A 109 -14.916 14.282 -10.170 1.00 0.00 N ATOM 1640 CA PRO A 109 -14.386 14.413 -11.516 1.00 0.00 C ATOM 1641 C PRO A 109 -12.862 14.557 -11.493 1.00 0.00 C ATOM 1642 O PRO A 109 -12.275 14.814 -10.444 1.00 0.00 O ATOM 1643 CB PRO A 109 -15.088 15.628 -12.100 1.00 0.00 C ATOM 1644 CG PRO A 109 -15.634 16.404 -10.912 1.00 0.00 C ATOM 1645 CD PRO A 109 -15.570 15.498 -9.694 1.00 0.00 C ATOM 0 HA PRO A 109 -14.571 13.531 -12.128 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.396 16.238 -12.680 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.891 15.329 -12.774 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -15.049 17.309 -10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -16.661 16.718 -11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -15.005 15.961 -8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -16.566 15.286 -9.306 1.00 0.00 H new ATOM 1653 N SER A 110 -12.266 14.385 -12.664 1.00 0.00 N ATOM 1654 CA SER A 110 -10.823 14.493 -12.792 1.00 0.00 C ATOM 1655 C SER A 110 -10.465 15.230 -14.084 1.00 0.00 C ATOM 1656 O SER A 110 -11.306 15.383 -14.968 1.00 0.00 O ATOM 1657 CB SER A 110 -10.163 13.112 -12.768 1.00 0.00 C ATOM 1658 OG SER A 110 -9.044 13.070 -11.888 1.00 0.00 O ATOM 0 H SER A 110 -12.756 14.172 -13.533 1.00 0.00 H new ATOM 0 HA SER A 110 -10.446 15.061 -11.941 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.895 12.366 -12.459 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.842 12.846 -13.775 1.00 0.00 H new ATOM 0 HG SER A 110 -8.652 12.172 -11.900 1.00 0.00 H new ATOM 1664 N SER A 111 -9.216 15.667 -14.152 1.00 0.00 N ATOM 1665 CA SER A 111 -8.737 16.385 -15.321 1.00 0.00 C ATOM 1666 C SER A 111 -7.259 16.070 -15.558 1.00 0.00 C ATOM 1667 O SER A 111 -6.888 15.580 -16.623 1.00 0.00 O ATOM 1668 CB SER A 111 -8.941 17.893 -15.163 1.00 0.00 C ATOM 1669 OG SER A 111 -9.371 18.503 -16.377 1.00 0.00 O ATOM 0 H SER A 111 -8.521 15.538 -13.417 1.00 0.00 H new ATOM 0 HA SER A 111 -9.315 16.057 -16.185 1.00 0.00 H new ATOM 0 HB2 SER A 111 -9.679 18.079 -14.382 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.008 18.353 -14.837 1.00 0.00 H new ATOM 0 HG SER A 111 -9.492 19.465 -16.235 1.00 0.00 H new ATOM 1675 N GLY A 112 -6.454 16.366 -14.548 1.00 0.00 N ATOM 1676 CA GLY A 112 -5.025 16.122 -14.633 1.00 0.00 C ATOM 1677 C GLY A 112 -4.314 16.574 -13.356 1.00 0.00 C ATOM 1678 O GLY A 112 -3.174 16.186 -13.105 1.00 0.00 O ATOM 0 H GLY A 112 -6.765 16.773 -13.666 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.843 15.060 -14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.612 16.653 -15.491 1.00 0.00 H new TER 1682 GLY A 112