USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 45 ASN : amide:sc= -0.0544 X(o=-0.28,f=-0.73) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.23 X(o=-0.28,f=-0.73) USER MOD Single : A 1 MET CE :methyl -133:sc= -0.0857 (180deg=-0.823) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.104 (180deg=-0.943) USER MOD Single : A 3 ASN : amide:sc= -0.486 K(o=-0.49,f=-6.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0807 (180deg=-0.833) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 11:sc= 1.19 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0125 K(o=0.013,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc=-0.00387 (180deg=-0.31) USER MOD Single : A 48 TYR OH : rot -118:sc= -0.421 USER MOD Single : A 52 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 108:sc= 1.26 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.03) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 23:sc= 0.294 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.786 -40.799 -42.344 1.00 0.00 N ATOM 2 CA MET A 1 -11.299 -41.369 -41.061 1.00 0.00 C ATOM 3 C MET A 1 -10.756 -40.570 -39.873 1.00 0.00 C ATOM 4 O MET A 1 -11.469 -40.286 -38.928 1.00 0.00 O ATOM 5 CB MET A 1 -10.781 -42.811 -41.021 1.00 0.00 C ATOM 6 CG MET A 1 -11.429 -43.635 -42.137 1.00 0.00 C ATOM 7 SD MET A 1 -13.212 -43.775 -41.842 1.00 0.00 S ATOM 8 CE MET A 1 -13.118 -44.940 -40.459 1.00 0.00 C ATOM 0 H1 MET A 1 -11.460 -41.004 -43.109 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.675 -39.769 -42.247 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.865 -41.226 -42.570 1.00 0.00 H new ATOM 0 HA MET A 1 -12.387 -41.329 -41.002 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.697 -42.819 -41.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.003 -43.259 -40.052 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.247 -43.163 -43.102 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.979 -44.627 -42.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.833 -45.748 -40.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.111 -45.353 -40.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.354 -44.421 -39.530 1.00 0.00 H new ATOM 20 N GLY A 2 -9.499 -40.205 -39.915 1.00 0.00 N ATOM 21 CA GLY A 2 -8.901 -39.423 -38.793 1.00 0.00 C ATOM 22 C GLY A 2 -7.397 -39.265 -39.022 1.00 0.00 C ATOM 23 O GLY A 2 -6.622 -40.166 -38.763 1.00 0.00 O ATOM 0 H GLY A 2 -8.860 -40.416 -40.681 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.374 -38.443 -38.727 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.084 -39.930 -37.845 1.00 0.00 H new ATOM 27 N ASN A 3 -6.985 -38.122 -39.508 1.00 0.00 N ATOM 28 CA ASN A 3 -5.532 -37.884 -39.763 1.00 0.00 C ATOM 29 C ASN A 3 -5.119 -36.511 -39.221 1.00 0.00 C ATOM 30 O ASN A 3 -4.482 -35.733 -39.905 1.00 0.00 O ATOM 31 CB ASN A 3 -5.383 -37.933 -41.289 1.00 0.00 C ATOM 32 CG ASN A 3 -6.264 -36.860 -41.943 1.00 0.00 C ATOM 33 OD1 ASN A 3 -6.945 -36.114 -41.266 1.00 0.00 O ATOM 34 ND2 ASN A 3 -6.278 -36.751 -43.243 1.00 0.00 N ATOM 0 H ASN A 3 -7.596 -37.339 -39.740 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.898 -38.621 -39.271 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.340 -37.775 -41.565 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.665 -38.919 -41.658 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.859 -36.041 -43.689 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.708 -37.375 -43.813 1.00 0.00 H new ATOM 41 N LYS A 4 -5.487 -36.209 -38.002 1.00 0.00 N ATOM 42 CA LYS A 4 -5.128 -34.879 -37.414 1.00 0.00 C ATOM 43 C LYS A 4 -3.607 -34.727 -37.314 1.00 0.00 C ATOM 44 O LYS A 4 -3.063 -33.680 -37.608 1.00 0.00 O ATOM 45 CB LYS A 4 -5.762 -34.868 -36.022 1.00 0.00 C ATOM 46 CG LYS A 4 -7.284 -34.796 -36.158 1.00 0.00 C ATOM 47 CD LYS A 4 -7.926 -34.880 -34.772 1.00 0.00 C ATOM 48 CE LYS A 4 -7.757 -33.543 -34.048 1.00 0.00 C ATOM 49 NZ LYS A 4 -8.572 -33.674 -32.808 1.00 0.00 N ATOM 0 H LYS A 4 -6.020 -36.824 -37.387 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.486 -34.054 -38.029 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.477 -35.766 -35.473 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.396 -34.015 -35.450 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.572 -33.866 -36.648 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.642 -35.611 -36.786 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.984 -35.124 -34.864 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.464 -35.680 -34.193 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.710 -33.350 -33.814 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.105 -32.713 -34.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.507 -32.795 -32.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.565 -33.851 -33.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.214 -34.467 -32.239 1.00 0.00 H new ATOM 63 N GLN A 5 -2.915 -35.764 -36.898 1.00 0.00 N ATOM 64 CA GLN A 5 -1.418 -35.687 -36.774 1.00 0.00 C ATOM 65 C GLN A 5 -1.009 -34.466 -35.944 1.00 0.00 C ATOM 66 O GLN A 5 -0.057 -33.779 -36.265 1.00 0.00 O ATOM 67 CB GLN A 5 -0.897 -35.550 -38.206 1.00 0.00 C ATOM 68 CG GLN A 5 -1.156 -36.848 -38.973 1.00 0.00 C ATOM 69 CD GLN A 5 -0.726 -36.668 -40.430 1.00 0.00 C ATOM 70 OE1 GLN A 5 -1.280 -35.857 -41.144 1.00 0.00 O ATOM 71 NE2 GLN A 5 0.246 -37.398 -40.905 1.00 0.00 N ATOM 0 H GLN A 5 -3.322 -36.663 -36.638 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.010 -36.565 -36.273 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.391 -34.716 -38.705 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.170 -35.329 -38.196 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.603 -37.670 -38.517 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.213 -37.109 -38.923 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.712 -38.079 -40.306 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.540 -37.287 -41.875 1.00 0.00 H new ATOM 80 N ALA A 6 -1.729 -34.186 -34.884 1.00 0.00 N ATOM 81 CA ALA A 6 -1.404 -33.000 -34.025 1.00 0.00 C ATOM 82 C ALA A 6 -1.339 -31.726 -34.874 1.00 0.00 C ATOM 83 O ALA A 6 -0.308 -31.392 -35.427 1.00 0.00 O ATOM 84 CB ALA A 6 -0.036 -33.296 -33.402 1.00 0.00 C ATOM 0 H ALA A 6 -2.533 -34.731 -34.574 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.166 -32.838 -33.262 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.259 -32.465 -32.761 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.096 -34.208 -32.809 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.703 -33.425 -34.192 1.00 0.00 H new ATOM 90 N LYS A 7 -2.433 -31.016 -34.980 1.00 0.00 N ATOM 91 CA LYS A 7 -2.440 -29.763 -35.790 1.00 0.00 C ATOM 92 C LYS A 7 -1.757 -28.639 -35.013 1.00 0.00 C ATOM 93 O LYS A 7 -1.875 -28.550 -33.806 1.00 0.00 O ATOM 94 CB LYS A 7 -3.914 -29.433 -36.022 1.00 0.00 C ATOM 95 CG LYS A 7 -4.545 -30.507 -36.908 1.00 0.00 C ATOM 96 CD LYS A 7 -6.027 -30.191 -37.113 1.00 0.00 C ATOM 97 CE LYS A 7 -6.677 -31.304 -37.937 1.00 0.00 C ATOM 98 NZ LYS A 7 -6.061 -31.194 -39.290 1.00 0.00 N ATOM 0 H LYS A 7 -3.322 -31.251 -34.540 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.903 -29.880 -36.732 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.440 -29.378 -35.069 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.009 -28.455 -36.495 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.034 -30.547 -37.870 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.432 -31.488 -36.446 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.527 -30.099 -36.149 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.139 -29.234 -37.623 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.488 -32.283 -37.496 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.759 -31.179 -37.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.708 -31.594 -39.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.882 -30.193 -39.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.163 -31.718 -39.306 1.00 0.00 H new ATOM 112 N ALA A 8 -1.045 -27.778 -35.699 1.00 0.00 N ATOM 113 CA ALA A 8 -0.340 -26.643 -35.017 1.00 0.00 C ATOM 114 C ALA A 8 0.658 -27.178 -33.977 1.00 0.00 C ATOM 115 O ALA A 8 0.574 -28.323 -33.577 1.00 0.00 O ATOM 116 CB ALA A 8 -1.434 -25.814 -34.332 1.00 0.00 C ATOM 0 H ALA A 8 -0.920 -27.812 -36.711 1.00 0.00 H new ATOM 0 HA ALA A 8 0.228 -26.043 -35.728 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.980 -24.968 -33.816 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.136 -25.447 -35.081 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.965 -26.436 -33.612 1.00 0.00 H new ATOM 122 N PRO A 9 1.580 -26.334 -33.567 1.00 0.00 N ATOM 123 CA PRO A 9 2.591 -26.753 -32.565 1.00 0.00 C ATOM 124 C PRO A 9 1.949 -26.859 -31.179 1.00 0.00 C ATOM 125 O PRO A 9 0.976 -26.188 -30.888 1.00 0.00 O ATOM 126 CB PRO A 9 3.626 -25.632 -32.606 1.00 0.00 C ATOM 127 CG PRO A 9 2.880 -24.432 -33.095 1.00 0.00 C ATOM 128 CD PRO A 9 1.769 -24.932 -33.983 1.00 0.00 C ATOM 0 HA PRO A 9 3.027 -27.730 -32.774 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.055 -25.455 -31.620 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.452 -25.882 -33.272 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.477 -23.862 -32.258 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.543 -23.765 -33.646 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.858 -24.350 -33.848 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.039 -24.862 -35.037 1.00 0.00 H new ATOM 136 N GLU A 10 2.487 -27.692 -30.323 1.00 0.00 N ATOM 137 CA GLU A 10 1.907 -27.838 -28.954 1.00 0.00 C ATOM 138 C GLU A 10 2.950 -27.474 -27.894 1.00 0.00 C ATOM 139 O GLU A 10 4.074 -27.935 -27.935 1.00 0.00 O ATOM 140 CB GLU A 10 1.520 -29.313 -28.838 1.00 0.00 C ATOM 141 CG GLU A 10 0.838 -29.560 -27.486 1.00 0.00 C ATOM 142 CD GLU A 10 -0.531 -28.864 -27.443 1.00 0.00 C ATOM 143 OE1 GLU A 10 -0.964 -28.362 -28.471 1.00 0.00 O ATOM 144 OE2 GLU A 10 -1.125 -28.843 -26.378 1.00 0.00 O ATOM 0 H GLU A 10 3.301 -28.276 -30.513 1.00 0.00 H new ATOM 0 HA GLU A 10 1.052 -27.180 -28.799 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.849 -29.589 -29.651 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.406 -29.941 -28.930 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.714 -30.631 -27.324 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.469 -29.186 -26.679 1.00 0.00 H new ATOM 151 N SER A 11 2.579 -26.653 -26.944 1.00 0.00 N ATOM 152 CA SER A 11 3.542 -26.259 -25.871 1.00 0.00 C ATOM 153 C SER A 11 3.139 -26.910 -24.546 1.00 0.00 C ATOM 154 O SER A 11 2.072 -26.660 -24.020 1.00 0.00 O ATOM 155 CB SER A 11 3.431 -24.737 -25.779 1.00 0.00 C ATOM 156 OG SER A 11 3.851 -24.160 -27.008 1.00 0.00 O ATOM 0 H SER A 11 1.650 -26.238 -26.865 1.00 0.00 H new ATOM 0 HA SER A 11 4.562 -26.578 -26.087 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.403 -24.448 -25.561 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.047 -24.365 -24.960 1.00 0.00 H new ATOM 0 HG SER A 11 3.779 -23.184 -26.953 1.00 0.00 H new ATOM 162 N LYS A 12 3.989 -27.746 -24.007 1.00 0.00 N ATOM 163 CA LYS A 12 3.666 -28.422 -22.713 1.00 0.00 C ATOM 164 C LYS A 12 3.546 -27.390 -21.590 1.00 0.00 C ATOM 165 O LYS A 12 2.658 -27.461 -20.763 1.00 0.00 O ATOM 166 CB LYS A 12 4.843 -29.365 -22.450 1.00 0.00 C ATOM 167 CG LYS A 12 4.913 -30.428 -23.551 1.00 0.00 C ATOM 168 CD LYS A 12 3.688 -31.344 -23.469 1.00 0.00 C ATOM 169 CE LYS A 12 3.772 -32.407 -24.566 1.00 0.00 C ATOM 170 NZ LYS A 12 2.567 -33.258 -24.366 1.00 0.00 N ATOM 0 H LYS A 12 4.895 -27.991 -24.407 1.00 0.00 H new ATOM 0 HA LYS A 12 2.717 -28.957 -22.755 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.774 -28.799 -22.419 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.727 -29.843 -21.477 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.955 -29.949 -24.529 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.825 -31.015 -23.444 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.641 -31.820 -22.489 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.775 -30.759 -23.583 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.775 -31.953 -25.557 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.688 -32.992 -24.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.552 -34.013 -25.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.595 -33.682 -23.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.711 -32.675 -24.460 1.00 0.00 H new ATOM 184 N ASP A 13 4.438 -26.433 -21.558 1.00 0.00 N ATOM 185 CA ASP A 13 4.388 -25.391 -20.491 1.00 0.00 C ATOM 186 C ASP A 13 3.777 -24.098 -21.037 1.00 0.00 C ATOM 187 O ASP A 13 4.063 -23.688 -22.146 1.00 0.00 O ATOM 188 CB ASP A 13 5.846 -25.166 -20.086 1.00 0.00 C ATOM 189 CG ASP A 13 6.394 -26.424 -19.404 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.611 -27.139 -18.798 1.00 0.00 O ATOM 191 OD2 ASP A 13 7.588 -26.652 -19.501 1.00 0.00 O ATOM 0 H ASP A 13 5.201 -26.329 -22.227 1.00 0.00 H new ATOM 0 HA ASP A 13 3.773 -25.698 -19.646 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.445 -24.927 -20.965 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.918 -24.314 -19.410 1.00 0.00 H new ATOM 196 N SER A 14 2.941 -23.456 -20.262 1.00 0.00 N ATOM 197 CA SER A 14 2.309 -22.185 -20.726 1.00 0.00 C ATOM 198 C SER A 14 1.722 -21.417 -19.531 1.00 0.00 C ATOM 199 O SER A 14 1.379 -22.012 -18.528 1.00 0.00 O ATOM 200 CB SER A 14 1.204 -22.614 -21.687 1.00 0.00 C ATOM 201 OG SER A 14 1.772 -22.894 -22.960 1.00 0.00 O ATOM 0 H SER A 14 2.669 -23.758 -19.327 1.00 0.00 H new ATOM 0 HA SER A 14 3.026 -21.520 -21.208 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.693 -23.496 -21.302 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.456 -21.826 -21.775 1.00 0.00 H new ATOM 0 HG SER A 14 2.749 -22.909 -22.886 1.00 0.00 H new ATOM 207 N PRO A 15 1.635 -20.110 -19.664 1.00 0.00 N ATOM 208 CA PRO A 15 1.094 -19.272 -18.563 1.00 0.00 C ATOM 209 C PRO A 15 -0.409 -19.498 -18.377 1.00 0.00 C ATOM 210 O PRO A 15 -0.933 -19.345 -17.292 1.00 0.00 O ATOM 211 CB PRO A 15 1.379 -17.844 -19.022 1.00 0.00 C ATOM 212 CG PRO A 15 1.473 -17.928 -20.511 1.00 0.00 C ATOM 213 CD PRO A 15 2.011 -19.296 -20.835 1.00 0.00 C ATOM 0 HA PRO A 15 1.545 -19.506 -17.599 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.584 -17.165 -18.714 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.306 -17.468 -18.589 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.495 -17.778 -20.969 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.130 -17.151 -20.902 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.574 -19.690 -21.753 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.091 -19.277 -20.978 1.00 0.00 H new ATOM 221 N ARG A 16 -1.113 -19.848 -19.431 1.00 0.00 N ATOM 222 CA ARG A 16 -2.596 -20.069 -19.323 1.00 0.00 C ATOM 223 C ARG A 16 -3.272 -18.873 -18.638 1.00 0.00 C ATOM 224 O ARG A 16 -4.308 -19.007 -18.017 1.00 0.00 O ATOM 225 CB ARG A 16 -2.754 -21.331 -18.469 1.00 0.00 C ATOM 226 CG ARG A 16 -2.162 -22.533 -19.208 1.00 0.00 C ATOM 227 CD ARG A 16 -3.068 -22.909 -20.383 1.00 0.00 C ATOM 228 NE ARG A 16 -2.336 -23.985 -21.105 1.00 0.00 N ATOM 229 CZ ARG A 16 -2.053 -23.843 -22.371 1.00 0.00 C ATOM 230 NH1 ARG A 16 -1.594 -22.705 -22.814 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.234 -24.838 -23.195 1.00 0.00 N ATOM 0 H ARG A 16 -0.725 -19.991 -20.363 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.062 -20.177 -20.303 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.252 -21.198 -17.511 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.808 -21.507 -18.255 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.161 -22.294 -19.569 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.062 -23.378 -18.527 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.040 -23.258 -20.036 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.250 -22.052 -21.031 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.056 -24.832 -20.611 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.456 -21.926 -22.171 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.373 -22.595 -23.804 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.597 -25.727 -22.850 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.013 -24.727 -24.185 1.00 0.00 H new ATOM 245 N ALA A 17 -2.678 -17.709 -18.742 1.00 0.00 N ATOM 246 CA ALA A 17 -3.266 -16.499 -18.096 1.00 0.00 C ATOM 247 C ALA A 17 -3.022 -15.256 -18.963 1.00 0.00 C ATOM 248 O ALA A 17 -2.007 -14.597 -18.842 1.00 0.00 O ATOM 249 CB ALA A 17 -2.526 -16.366 -16.767 1.00 0.00 C ATOM 0 H ALA A 17 -1.808 -17.547 -19.249 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.344 -16.588 -17.964 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.901 -15.496 -16.227 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.689 -17.262 -16.168 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.459 -16.245 -16.955 1.00 0.00 H new ATOM 255 N SER A 18 -3.946 -14.939 -19.834 1.00 0.00 N ATOM 256 CA SER A 18 -3.781 -13.747 -20.715 1.00 0.00 C ATOM 257 C SER A 18 -4.987 -12.828 -20.587 1.00 0.00 C ATOM 258 O SER A 18 -6.103 -13.231 -20.851 1.00 0.00 O ATOM 259 CB SER A 18 -3.724 -14.316 -22.132 1.00 0.00 C ATOM 260 OG SER A 18 -2.586 -15.151 -22.261 1.00 0.00 O ATOM 0 H SER A 18 -4.812 -15.459 -19.972 1.00 0.00 H new ATOM 0 HA SER A 18 -2.895 -13.166 -20.457 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.630 -14.883 -22.344 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.678 -13.505 -22.859 1.00 0.00 H new ATOM 0 HG SER A 18 -2.550 -15.517 -23.169 1.00 0.00 H new ATOM 266 N LEU A 19 -4.782 -11.578 -20.210 1.00 0.00 N ATOM 267 CA LEU A 19 -5.940 -10.618 -20.106 1.00 0.00 C ATOM 268 C LEU A 19 -7.075 -11.230 -19.258 1.00 0.00 C ATOM 269 O LEU A 19 -8.227 -10.855 -19.387 1.00 0.00 O ATOM 270 CB LEU A 19 -6.332 -10.445 -21.584 1.00 0.00 C ATOM 271 CG LEU A 19 -7.426 -9.404 -21.818 1.00 0.00 C ATOM 272 CD1 LEU A 19 -6.985 -8.051 -21.262 1.00 0.00 C ATOM 273 CD2 LEU A 19 -7.619 -9.286 -23.335 1.00 0.00 C ATOM 0 H LEU A 19 -3.871 -11.185 -19.972 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.712 -9.673 -19.613 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.447 -10.161 -22.153 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.668 -11.405 -21.975 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.350 -9.700 -21.322 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.770 -7.314 -21.433 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.798 -8.141 -20.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.072 -7.731 -21.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.395 -8.550 -23.547 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.684 -8.971 -23.797 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.916 -10.253 -23.740 1.00 0.00 H new ATOM 285 N ILE A 20 -6.746 -12.174 -18.396 1.00 0.00 N ATOM 286 CA ILE A 20 -7.792 -12.825 -17.546 1.00 0.00 C ATOM 287 C ILE A 20 -7.156 -13.455 -16.277 1.00 0.00 C ATOM 288 O ILE A 20 -6.787 -14.615 -16.281 1.00 0.00 O ATOM 289 CB ILE A 20 -8.412 -13.896 -18.457 1.00 0.00 C ATOM 290 CG1 ILE A 20 -9.531 -14.622 -17.710 1.00 0.00 C ATOM 291 CG2 ILE A 20 -7.346 -14.908 -18.893 1.00 0.00 C ATOM 292 CD1 ILE A 20 -10.429 -15.316 -18.731 1.00 0.00 C ATOM 0 H ILE A 20 -5.797 -12.517 -18.249 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.538 -12.118 -17.182 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.820 -13.409 -19.343 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.112 -15.352 -17.017 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.110 -13.915 -17.116 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.801 -15.660 -19.538 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.556 -14.392 -19.439 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.923 -15.392 -18.013 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.233 -15.839 -18.213 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.855 -14.573 -19.405 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.841 -16.032 -19.305 1.00 0.00 H new ATOM 304 N PRO A 21 -7.052 -12.666 -15.223 1.00 0.00 N ATOM 305 CA PRO A 21 -6.463 -13.167 -13.949 1.00 0.00 C ATOM 306 C PRO A 21 -7.443 -14.101 -13.230 1.00 0.00 C ATOM 307 O PRO A 21 -8.639 -14.041 -13.444 1.00 0.00 O ATOM 308 CB PRO A 21 -6.233 -11.895 -13.135 1.00 0.00 C ATOM 309 CG PRO A 21 -7.221 -10.908 -13.670 1.00 0.00 C ATOM 310 CD PRO A 21 -7.465 -11.257 -15.117 1.00 0.00 C ATOM 0 HA PRO A 21 -5.551 -13.744 -14.101 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.390 -12.074 -12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.211 -11.532 -13.250 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.151 -10.949 -13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.837 -9.892 -13.579 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.513 -11.128 -15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.884 -10.620 -15.784 1.00 0.00 H new ATOM 318 N ASP A 22 -6.942 -14.958 -12.374 1.00 0.00 N ATOM 319 CA ASP A 22 -7.838 -15.897 -11.633 1.00 0.00 C ATOM 320 C ASP A 22 -8.230 -15.296 -10.279 1.00 0.00 C ATOM 321 O ASP A 22 -8.070 -15.918 -9.244 1.00 0.00 O ATOM 322 CB ASP A 22 -7.003 -17.163 -11.433 1.00 0.00 C ATOM 323 CG ASP A 22 -7.875 -18.255 -10.812 1.00 0.00 C ATOM 324 OD1 ASP A 22 -8.847 -18.638 -11.441 1.00 0.00 O ATOM 325 OD2 ASP A 22 -7.558 -18.688 -9.716 1.00 0.00 O ATOM 0 H ASP A 22 -5.949 -15.047 -12.157 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.764 -16.098 -12.173 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.602 -17.502 -12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.151 -16.951 -10.787 1.00 0.00 H new ATOM 330 N ALA A 23 -8.740 -14.086 -10.274 1.00 0.00 N ATOM 331 CA ALA A 23 -9.142 -13.427 -8.985 1.00 0.00 C ATOM 332 C ALA A 23 -7.979 -13.458 -7.985 1.00 0.00 C ATOM 333 O ALA A 23 -7.977 -14.231 -7.046 1.00 0.00 O ATOM 334 CB ALA A 23 -10.330 -14.242 -8.463 1.00 0.00 C ATOM 0 H ALA A 23 -8.896 -13.523 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.407 -12.379 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.677 -13.817 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.139 -14.215 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.020 -15.275 -8.303 1.00 0.00 H new ATOM 340 N THR A 24 -6.988 -12.630 -8.196 1.00 0.00 N ATOM 341 CA THR A 24 -5.810 -12.608 -7.273 1.00 0.00 C ATOM 342 C THR A 24 -5.593 -11.198 -6.713 1.00 0.00 C ATOM 343 O THR A 24 -4.719 -10.474 -7.152 1.00 0.00 O ATOM 344 CB THR A 24 -4.616 -13.033 -8.140 1.00 0.00 C ATOM 345 OG1 THR A 24 -3.429 -12.973 -7.362 1.00 0.00 O ATOM 346 CG2 THR A 24 -4.480 -12.098 -9.350 1.00 0.00 C ATOM 0 H THR A 24 -6.943 -11.966 -8.969 1.00 0.00 H new ATOM 0 HA THR A 24 -5.949 -13.268 -6.417 1.00 0.00 H new ATOM 0 HB THR A 24 -4.777 -14.051 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.664 -13.245 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.630 -12.410 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.390 -12.143 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.324 -11.076 -9.004 1.00 0.00 H new ATOM 354 N HIS A 25 -6.380 -10.806 -5.742 1.00 0.00 N ATOM 355 CA HIS A 25 -6.220 -9.443 -5.146 1.00 0.00 C ATOM 356 C HIS A 25 -4.845 -9.312 -4.485 1.00 0.00 C ATOM 357 O HIS A 25 -4.142 -8.340 -4.687 1.00 0.00 O ATOM 358 CB HIS A 25 -7.328 -9.331 -4.096 1.00 0.00 C ATOM 359 CG HIS A 25 -8.548 -8.710 -4.717 1.00 0.00 C ATOM 360 ND1 HIS A 25 -9.515 -9.467 -5.365 1.00 0.00 N ATOM 361 CD2 HIS A 25 -8.973 -7.406 -4.800 1.00 0.00 C ATOM 362 CE1 HIS A 25 -10.464 -8.621 -5.806 1.00 0.00 C ATOM 363 NE2 HIS A 25 -10.179 -7.358 -5.489 1.00 0.00 N ATOM 0 H HIS A 25 -7.126 -11.371 -5.336 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.290 -8.657 -5.898 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.570 -10.318 -3.701 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.987 -8.726 -3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.452 -6.552 -4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.346 -8.927 -6.349 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.731 -6.529 -5.707 1.00 0.00 H new ATOM 372 N LEU A 26 -4.461 -10.286 -3.704 1.00 0.00 N ATOM 373 CA LEU A 26 -3.130 -10.235 -3.027 1.00 0.00 C ATOM 374 C LEU A 26 -2.504 -11.630 -2.964 1.00 0.00 C ATOM 375 O LEU A 26 -2.527 -12.284 -1.938 1.00 0.00 O ATOM 376 CB LEU A 26 -3.411 -9.711 -1.619 1.00 0.00 C ATOM 377 CG LEU A 26 -3.561 -8.192 -1.665 1.00 0.00 C ATOM 378 CD1 LEU A 26 -4.046 -7.693 -0.301 1.00 0.00 C ATOM 379 CD2 LEU A 26 -2.201 -7.556 -1.999 1.00 0.00 C ATOM 0 H LEU A 26 -5.014 -11.119 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.427 -9.598 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.320 -10.166 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.598 -9.987 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.285 -7.914 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.155 -6.609 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.008 -8.149 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.320 -7.966 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.305 -6.471 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.475 -7.827 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.858 -7.918 -2.968 1.00 0.00 H new ATOM 391 N GLY A 27 -1.942 -12.085 -4.053 1.00 0.00 N ATOM 392 CA GLY A 27 -1.307 -13.437 -4.064 1.00 0.00 C ATOM 393 C GLY A 27 0.211 -13.292 -3.879 1.00 0.00 C ATOM 394 O GLY A 27 0.686 -13.231 -2.764 1.00 0.00 O ATOM 0 H GLY A 27 -1.895 -11.578 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.724 -14.053 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.523 -13.944 -5.004 1.00 0.00 H new ATOM 398 N PRO A 28 0.937 -13.242 -4.978 1.00 0.00 N ATOM 399 CA PRO A 28 2.412 -13.104 -4.893 1.00 0.00 C ATOM 400 C PRO A 28 2.788 -11.692 -4.440 1.00 0.00 C ATOM 401 O PRO A 28 2.142 -10.726 -4.805 1.00 0.00 O ATOM 402 CB PRO A 28 2.883 -13.360 -6.323 1.00 0.00 C ATOM 403 CG PRO A 28 1.713 -13.004 -7.182 1.00 0.00 C ATOM 404 CD PRO A 28 0.474 -13.299 -6.377 1.00 0.00 C ATOM 0 HA PRO A 28 2.865 -13.787 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.753 -12.750 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.174 -14.401 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.748 -11.952 -7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.721 -13.584 -8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.310 -12.567 -6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.062 -14.278 -6.622 1.00 0.00 H new ATOM 412 N GLN A 29 3.832 -11.559 -3.660 1.00 0.00 N ATOM 413 CA GLN A 29 4.250 -10.202 -3.198 1.00 0.00 C ATOM 414 C GLN A 29 5.754 -9.997 -3.420 1.00 0.00 C ATOM 415 O GLN A 29 6.569 -10.252 -2.554 1.00 0.00 O ATOM 416 CB GLN A 29 3.887 -10.140 -1.707 1.00 0.00 C ATOM 417 CG GLN A 29 4.637 -11.227 -0.922 1.00 0.00 C ATOM 418 CD GLN A 29 3.638 -12.096 -0.153 1.00 0.00 C ATOM 419 OE1 GLN A 29 2.604 -11.622 0.273 1.00 0.00 O ATOM 420 NE2 GLN A 29 3.909 -13.355 0.049 1.00 0.00 N ATOM 0 H GLN A 29 4.410 -12.329 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 29 3.750 -9.410 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.137 -9.157 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.812 -10.271 -1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.220 -11.845 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.341 -10.767 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.777 -13.754 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.253 -13.942 0.565 1.00 0.00 H new ATOM 429 N PHE A 30 6.117 -9.527 -4.584 1.00 0.00 N ATOM 430 CA PHE A 30 7.558 -9.280 -4.894 1.00 0.00 C ATOM 431 C PHE A 30 7.783 -7.785 -5.139 1.00 0.00 C ATOM 432 O PHE A 30 7.017 -7.155 -5.845 1.00 0.00 O ATOM 433 CB PHE A 30 7.821 -10.077 -6.174 1.00 0.00 C ATOM 434 CG PHE A 30 8.013 -11.533 -5.836 1.00 0.00 C ATOM 435 CD1 PHE A 30 9.272 -11.989 -5.437 1.00 0.00 C ATOM 436 CD2 PHE A 30 6.937 -12.427 -5.921 1.00 0.00 C ATOM 437 CE1 PHE A 30 9.462 -13.338 -5.121 1.00 0.00 C ATOM 438 CE2 PHE A 30 7.126 -13.778 -5.605 1.00 0.00 C ATOM 439 CZ PHE A 30 8.389 -14.234 -5.205 1.00 0.00 C ATOM 0 H PHE A 30 5.472 -9.301 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 30 8.222 -9.578 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.985 -9.961 -6.864 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.707 -9.691 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.100 -11.298 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.964 -12.075 -6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.436 -13.689 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.298 -14.469 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.535 -15.276 -4.962 1.00 0.00 H new ATOM 449 N CYS A 31 8.820 -7.205 -4.572 1.00 0.00 N ATOM 450 CA CYS A 31 9.061 -5.748 -4.800 1.00 0.00 C ATOM 451 C CYS A 31 9.699 -5.526 -6.165 1.00 0.00 C ATOM 452 O CYS A 31 10.757 -6.040 -6.466 1.00 0.00 O ATOM 453 CB CYS A 31 10.008 -5.279 -3.696 1.00 0.00 C ATOM 454 SG CYS A 31 10.133 -3.463 -3.745 1.00 0.00 S ATOM 0 H CYS A 31 9.498 -7.673 -3.971 1.00 0.00 H new ATOM 0 HA CYS A 31 8.125 -5.190 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.640 -5.604 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.993 -5.727 -3.830 1.00 0.00 H new ATOM 459 N LYS A 32 9.058 -4.753 -6.984 1.00 0.00 N ATOM 460 CA LYS A 32 9.613 -4.455 -8.331 1.00 0.00 C ATOM 461 C LYS A 32 10.300 -3.079 -8.328 1.00 0.00 C ATOM 462 O LYS A 32 10.960 -2.710 -9.283 1.00 0.00 O ATOM 463 CB LYS A 32 8.401 -4.467 -9.276 1.00 0.00 C ATOM 464 CG LYS A 32 7.434 -3.329 -8.918 1.00 0.00 C ATOM 465 CD LYS A 32 6.287 -3.300 -9.924 1.00 0.00 C ATOM 466 CE LYS A 32 5.344 -4.474 -9.651 1.00 0.00 C ATOM 467 NZ LYS A 32 4.099 -4.148 -10.399 1.00 0.00 N ATOM 0 H LYS A 32 8.163 -4.308 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 32 10.367 -5.179 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.735 -4.358 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.887 -5.426 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.044 -3.472 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.961 -2.375 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.745 -2.358 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.678 -3.361 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.775 -5.415 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.147 -4.583 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.402 -4.908 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.708 -3.251 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.316 -4.057 -11.412 1.00 0.00 H new ATOM 481 N SER A 33 10.122 -2.301 -7.277 1.00 0.00 N ATOM 482 CA SER A 33 10.738 -0.940 -7.250 1.00 0.00 C ATOM 483 C SER A 33 12.250 -0.994 -6.988 1.00 0.00 C ATOM 484 O SER A 33 13.037 -0.664 -7.856 1.00 0.00 O ATOM 485 CB SER A 33 10.038 -0.227 -6.091 1.00 0.00 C ATOM 486 OG SER A 33 8.676 0.003 -6.431 1.00 0.00 O ATOM 0 H SER A 33 9.582 -2.552 -6.449 1.00 0.00 H new ATOM 0 HA SER A 33 10.617 -0.434 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.101 -0.832 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.536 0.719 -5.878 1.00 0.00 H new ATOM 0 HG SER A 33 8.226 0.458 -5.689 1.00 0.00 H new ATOM 492 N CYS A 34 12.671 -1.404 -5.810 1.00 0.00 N ATOM 493 CA CYS A 34 14.142 -1.464 -5.531 1.00 0.00 C ATOM 494 C CYS A 34 14.777 -2.751 -6.085 1.00 0.00 C ATOM 495 O CYS A 34 15.844 -2.720 -6.660 1.00 0.00 O ATOM 496 CB CYS A 34 14.312 -1.329 -4.003 1.00 0.00 C ATOM 497 SG CYS A 34 13.706 -2.793 -3.128 1.00 0.00 S ATOM 0 H CYS A 34 12.067 -1.695 -5.041 1.00 0.00 H new ATOM 0 HA CYS A 34 14.666 -0.654 -6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 34 15.365 -1.174 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.774 -0.448 -3.654 1.00 0.00 H new ATOM 502 N TRP A 35 14.133 -3.887 -5.901 1.00 0.00 N ATOM 503 CA TRP A 35 14.699 -5.199 -6.390 1.00 0.00 C ATOM 504 C TRP A 35 13.853 -6.356 -5.846 1.00 0.00 C ATOM 505 O TRP A 35 12.844 -6.144 -5.205 1.00 0.00 O ATOM 506 CB TRP A 35 16.138 -5.322 -5.837 1.00 0.00 C ATOM 507 CG TRP A 35 16.186 -4.925 -4.389 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.622 -5.617 -3.370 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.822 -3.758 -3.787 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.867 -4.947 -2.188 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.605 -3.798 -2.390 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.558 -2.681 -4.313 1.00 0.00 C ATOM 513 CZ2 TRP A 35 17.097 -2.805 -1.544 1.00 0.00 C ATOM 514 CZ3 TRP A 35 18.058 -1.679 -3.463 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.827 -1.742 -2.080 1.00 0.00 C ATOM 0 H TRP A 35 13.232 -3.964 -5.429 1.00 0.00 H new ATOM 0 HA TRP A 35 14.695 -5.235 -7.479 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.490 -6.347 -5.950 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.811 -4.689 -6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.071 -6.541 -3.466 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.542 -5.263 -1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.740 -2.623 -5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.915 -2.858 -0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.623 -0.856 -3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.213 -0.970 -1.431 1.00 0.00 H new ATOM 526 N PHE A 36 14.273 -7.576 -6.078 1.00 0.00 N ATOM 527 CA PHE A 36 13.503 -8.749 -5.560 1.00 0.00 C ATOM 528 C PHE A 36 14.039 -9.162 -4.184 1.00 0.00 C ATOM 529 O PHE A 36 15.159 -9.622 -4.063 1.00 0.00 O ATOM 530 CB PHE A 36 13.754 -9.871 -6.574 1.00 0.00 C ATOM 531 CG PHE A 36 13.033 -9.577 -7.866 1.00 0.00 C ATOM 532 CD1 PHE A 36 11.688 -9.933 -8.011 1.00 0.00 C ATOM 533 CD2 PHE A 36 13.713 -8.962 -8.925 1.00 0.00 C ATOM 534 CE1 PHE A 36 11.021 -9.674 -9.215 1.00 0.00 C ATOM 535 CE2 PHE A 36 13.046 -8.702 -10.128 1.00 0.00 C ATOM 536 CZ PHE A 36 11.700 -9.058 -10.272 1.00 0.00 C ATOM 0 H PHE A 36 15.115 -7.810 -6.603 1.00 0.00 H new ATOM 0 HA PHE A 36 12.442 -8.525 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.823 -9.970 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.412 -10.822 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.164 -10.408 -7.195 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.752 -8.688 -8.813 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.983 -9.950 -9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.570 -8.227 -10.944 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.185 -8.857 -11.200 1.00 0.00 H new ATOM 546 N GLU A 37 13.250 -9.007 -3.146 1.00 0.00 N ATOM 547 CA GLU A 37 13.718 -9.396 -1.778 1.00 0.00 C ATOM 548 C GLU A 37 12.527 -9.528 -0.821 1.00 0.00 C ATOM 549 O GLU A 37 11.746 -8.609 -0.660 1.00 0.00 O ATOM 550 CB GLU A 37 14.641 -8.257 -1.334 1.00 0.00 C ATOM 551 CG GLU A 37 15.232 -8.581 0.046 1.00 0.00 C ATOM 552 CD GLU A 37 16.255 -7.515 0.458 1.00 0.00 C ATOM 553 OE1 GLU A 37 16.270 -6.456 -0.149 1.00 0.00 O ATOM 554 OE2 GLU A 37 17.002 -7.772 1.387 1.00 0.00 O ATOM 0 H GLU A 37 12.304 -8.628 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 37 14.229 -10.359 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.442 -8.120 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.085 -7.320 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.434 -8.633 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.709 -9.561 0.023 1.00 0.00 H new ATOM 561 N ASN A 38 12.394 -10.660 -0.177 1.00 0.00 N ATOM 562 CA ASN A 38 11.263 -10.856 0.783 1.00 0.00 C ATOM 563 C ASN A 38 11.766 -10.771 2.236 1.00 0.00 C ATOM 564 O ASN A 38 11.063 -11.129 3.163 1.00 0.00 O ATOM 565 CB ASN A 38 10.737 -12.262 0.485 1.00 0.00 C ATOM 566 CG ASN A 38 10.079 -12.290 -0.897 1.00 0.00 C ATOM 567 OD1 ASN A 38 9.697 -11.264 -1.425 1.00 0.00 O ATOM 568 ND2 ASN A 38 9.933 -13.433 -1.512 1.00 0.00 N ATOM 0 H ASN A 38 13.021 -11.459 -0.274 1.00 0.00 H new ATOM 0 HA ASN A 38 10.493 -10.093 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.555 -12.981 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.016 -12.559 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.499 -13.464 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.253 -14.295 -1.070 1.00 0.00 H new ATOM 575 N LYS A 39 12.977 -10.312 2.436 1.00 0.00 N ATOM 576 CA LYS A 39 13.537 -10.214 3.823 1.00 0.00 C ATOM 577 C LYS A 39 12.705 -9.256 4.685 1.00 0.00 C ATOM 578 O LYS A 39 12.361 -9.566 5.810 1.00 0.00 O ATOM 579 CB LYS A 39 14.953 -9.665 3.632 1.00 0.00 C ATOM 580 CG LYS A 39 15.676 -9.614 4.977 1.00 0.00 C ATOM 581 CD LYS A 39 17.104 -9.110 4.763 1.00 0.00 C ATOM 582 CE LYS A 39 17.829 -9.052 6.108 1.00 0.00 C ATOM 583 NZ LYS A 39 18.186 -10.466 6.410 1.00 0.00 N ATOM 0 H LYS A 39 13.606 -9.999 1.696 1.00 0.00 H new ATOM 0 HA LYS A 39 13.527 -11.176 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.506 -10.295 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.910 -8.668 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.145 -8.955 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.692 -10.604 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.636 -9.771 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.088 -8.122 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.718 -8.423 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.190 -8.631 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.809 -10.727 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.778 -11.090 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.221 -10.570 6.413 1.00 0.00 H new ATOM 597 N GLY A 40 12.383 -8.098 4.168 1.00 0.00 N ATOM 598 CA GLY A 40 11.576 -7.116 4.954 1.00 0.00 C ATOM 599 C GLY A 40 10.590 -6.418 4.020 1.00 0.00 C ATOM 600 O GLY A 40 10.545 -5.204 3.944 1.00 0.00 O ATOM 0 H GLY A 40 12.645 -7.789 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.039 -7.625 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.231 -6.383 5.425 1.00 0.00 H new ATOM 604 N LEU A 41 9.812 -7.182 3.300 1.00 0.00 N ATOM 605 CA LEU A 41 8.832 -6.581 2.350 1.00 0.00 C ATOM 606 C LEU A 41 7.551 -6.148 3.073 1.00 0.00 C ATOM 607 O LEU A 41 7.047 -6.836 3.940 1.00 0.00 O ATOM 608 CB LEU A 41 8.526 -7.691 1.341 1.00 0.00 C ATOM 609 CG LEU A 41 7.548 -7.174 0.281 1.00 0.00 C ATOM 610 CD1 LEU A 41 8.237 -6.111 -0.579 1.00 0.00 C ATOM 611 CD2 LEU A 41 7.097 -8.337 -0.605 1.00 0.00 C ATOM 0 H LEU A 41 9.814 -8.202 3.330 1.00 0.00 H new ATOM 0 HA LEU A 41 9.232 -5.686 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.448 -8.027 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.099 -8.553 1.853 1.00 0.00 H new ATOM 0 HG LEU A 41 6.680 -6.733 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.540 -5.745 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.557 -5.283 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.106 -6.548 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.401 -7.971 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.965 -8.779 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.604 -9.091 0.008 1.00 0.00 H new ATOM 623 N VAL A 42 7.016 -5.022 2.691 1.00 0.00 N ATOM 624 CA VAL A 42 5.751 -4.524 3.302 1.00 0.00 C ATOM 625 C VAL A 42 4.650 -4.618 2.248 1.00 0.00 C ATOM 626 O VAL A 42 4.833 -4.195 1.121 1.00 0.00 O ATOM 627 CB VAL A 42 6.026 -3.064 3.672 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.770 -2.433 4.277 1.00 0.00 C ATOM 629 CG2 VAL A 42 7.163 -3.005 4.691 1.00 0.00 C ATOM 0 H VAL A 42 7.408 -4.416 1.970 1.00 0.00 H new ATOM 0 HA VAL A 42 5.438 -5.093 4.177 1.00 0.00 H new ATOM 0 HB VAL A 42 6.306 -2.514 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.974 -1.394 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.957 -2.472 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.483 -2.982 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.361 -1.966 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.879 -3.560 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.061 -3.447 4.260 1.00 0.00 H new ATOM 639 N GLU A 43 3.534 -5.203 2.583 1.00 0.00 N ATOM 640 CA GLU A 43 2.451 -5.363 1.572 1.00 0.00 C ATOM 641 C GLU A 43 1.466 -4.187 1.560 1.00 0.00 C ATOM 642 O GLU A 43 0.626 -4.052 2.429 1.00 0.00 O ATOM 643 CB GLU A 43 1.727 -6.650 1.980 1.00 0.00 C ATOM 644 CG GLU A 43 0.641 -6.981 0.948 1.00 0.00 C ATOM 645 CD GLU A 43 -0.057 -8.298 1.315 1.00 0.00 C ATOM 646 OE1 GLU A 43 0.486 -9.043 2.115 1.00 0.00 O ATOM 647 OE2 GLU A 43 -1.131 -8.537 0.786 1.00 0.00 O ATOM 0 H GLU A 43 3.325 -5.576 3.509 1.00 0.00 H new ATOM 0 HA GLU A 43 2.868 -5.399 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.439 -7.473 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.280 -6.530 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.090 -6.173 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.085 -7.061 -0.044 1.00 0.00 H new ATOM 654 N CYS A 44 1.516 -3.390 0.522 1.00 0.00 N ATOM 655 CA CYS A 44 0.530 -2.276 0.363 1.00 0.00 C ATOM 656 C CYS A 44 -0.812 -2.956 0.073 1.00 0.00 C ATOM 657 O CYS A 44 -0.844 -4.163 -0.097 1.00 0.00 O ATOM 658 CB CYS A 44 1.013 -1.479 -0.856 1.00 0.00 C ATOM 659 SG CYS A 44 0.785 0.301 -0.610 1.00 0.00 S ATOM 0 H CYS A 44 2.203 -3.464 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 44 0.434 -1.618 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.067 -1.691 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.466 -1.799 -1.743 1.00 0.00 H new ATOM 664 N ASN A 45 -1.917 -2.247 0.020 1.00 0.00 N ATOM 665 CA ASN A 45 -3.217 -2.956 -0.256 1.00 0.00 C ATOM 666 C ASN A 45 -3.100 -3.798 -1.545 1.00 0.00 C ATOM 667 O ASN A 45 -3.042 -5.010 -1.490 1.00 0.00 O ATOM 668 CB ASN A 45 -4.254 -1.840 -0.427 1.00 0.00 C ATOM 669 CG ASN A 45 -5.627 -2.454 -0.716 1.00 0.00 C ATOM 670 OD1 ASN A 45 -5.977 -3.476 -0.160 1.00 0.00 O ATOM 671 ND2 ASN A 45 -6.422 -1.873 -1.573 1.00 0.00 N ATOM 0 H ASN A 45 -1.980 -1.237 0.151 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.492 -3.642 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.300 -1.231 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.961 -1.179 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.336 -2.277 -1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.129 -1.015 -2.040 1.00 0.00 H new ATOM 678 N ASN A 46 -3.028 -3.169 -2.690 1.00 0.00 N ATOM 679 CA ASN A 46 -2.869 -3.931 -3.971 1.00 0.00 C ATOM 680 C ASN A 46 -1.455 -3.743 -4.544 1.00 0.00 C ATOM 681 O ASN A 46 -1.269 -3.730 -5.748 1.00 0.00 O ATOM 682 CB ASN A 46 -3.930 -3.356 -4.905 1.00 0.00 C ATOM 683 CG ASN A 46 -5.316 -3.769 -4.401 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.189 -2.940 -4.240 1.00 0.00 O ATOM 685 ND2 ASN A 46 -5.554 -5.027 -4.141 1.00 0.00 N ATOM 0 H ASN A 46 -3.072 -2.155 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.995 -5.005 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.851 -2.269 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.775 -3.720 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.473 -5.313 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.821 -5.723 -4.276 1.00 0.00 H new ATOM 692 N HIS A 47 -0.472 -3.538 -3.703 1.00 0.00 N ATOM 693 CA HIS A 47 0.918 -3.283 -4.210 1.00 0.00 C ATOM 694 C HIS A 47 1.966 -3.758 -3.174 1.00 0.00 C ATOM 695 O HIS A 47 1.688 -3.811 -1.998 1.00 0.00 O ATOM 696 CB HIS A 47 0.889 -1.747 -4.413 1.00 0.00 C ATOM 697 CG HIS A 47 2.239 -1.101 -4.254 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.404 0.108 -3.577 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.491 -1.475 -4.665 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.711 0.406 -3.602 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.411 -0.526 -4.250 1.00 0.00 N ATOM 0 H HIS A 47 -0.569 -3.536 -2.688 1.00 0.00 H new ATOM 0 HA HIS A 47 1.196 -3.817 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.503 -1.526 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.196 -1.306 -3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.724 -2.369 -5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.142 1.289 -3.154 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.419 -0.538 -4.408 1.00 0.00 H new ATOM 709 N TYR A 48 3.158 -4.133 -3.606 1.00 0.00 N ATOM 710 CA TYR A 48 4.191 -4.612 -2.621 1.00 0.00 C ATOM 711 C TYR A 48 5.478 -3.770 -2.671 1.00 0.00 C ATOM 712 O TYR A 48 6.107 -3.634 -3.703 1.00 0.00 O ATOM 713 CB TYR A 48 4.552 -6.047 -3.023 1.00 0.00 C ATOM 714 CG TYR A 48 3.318 -6.894 -3.205 1.00 0.00 C ATOM 715 CD1 TYR A 48 2.614 -7.374 -2.095 1.00 0.00 C ATOM 716 CD2 TYR A 48 2.890 -7.205 -4.498 1.00 0.00 C ATOM 717 CE1 TYR A 48 1.476 -8.166 -2.284 1.00 0.00 C ATOM 718 CE2 TYR A 48 1.757 -7.997 -4.687 1.00 0.00 C ATOM 719 CZ TYR A 48 1.048 -8.479 -3.581 1.00 0.00 C ATOM 720 OH TYR A 48 -0.071 -9.262 -3.769 1.00 0.00 O ATOM 0 H TYR A 48 3.454 -4.128 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 48 3.782 -4.537 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.126 -6.033 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.190 -6.491 -2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.948 -7.134 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.436 -6.832 -5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.928 -8.536 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.427 -8.238 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 48 0.182 -10.088 -4.232 1.00 0.00 H new ATOM 730 N LEU A 49 5.904 -3.273 -1.540 1.00 0.00 N ATOM 731 CA LEU A 49 7.190 -2.509 -1.463 1.00 0.00 C ATOM 732 C LEU A 49 7.874 -2.881 -0.143 1.00 0.00 C ATOM 733 O LEU A 49 7.232 -3.373 0.761 1.00 0.00 O ATOM 734 CB LEU A 49 6.830 -1.017 -1.493 1.00 0.00 C ATOM 735 CG LEU A 49 7.320 -0.391 -2.809 1.00 0.00 C ATOM 736 CD1 LEU A 49 6.710 1.006 -2.988 1.00 0.00 C ATOM 737 CD2 LEU A 49 8.842 -0.269 -2.781 1.00 0.00 C ATOM 0 H LEU A 49 5.410 -3.364 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 49 7.865 -2.738 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.751 -0.892 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.285 -0.506 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 49 7.013 -1.029 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.064 1.440 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.623 0.928 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.010 1.643 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.189 0.175 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.141 0.364 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.284 -1.258 -2.663 1.00 0.00 H new ATOM 749 N CYS A 50 9.157 -2.662 -0.018 1.00 0.00 N ATOM 750 CA CYS A 50 9.858 -3.019 1.263 1.00 0.00 C ATOM 751 C CYS A 50 9.958 -1.779 2.145 1.00 0.00 C ATOM 752 O CYS A 50 10.044 -0.669 1.661 1.00 0.00 O ATOM 753 CB CYS A 50 11.285 -3.517 0.935 1.00 0.00 C ATOM 754 SG CYS A 50 11.387 -4.329 -0.679 1.00 0.00 S ATOM 0 H CYS A 50 9.751 -2.254 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 50 9.300 -3.798 1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.974 -2.673 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.609 -4.213 1.709 1.00 0.00 H new ATOM 759 N LEU A 51 9.953 -1.967 3.434 1.00 0.00 N ATOM 760 CA LEU A 51 10.043 -0.808 4.368 1.00 0.00 C ATOM 761 C LEU A 51 11.342 -0.033 4.129 1.00 0.00 C ATOM 762 O LEU A 51 11.382 1.177 4.257 1.00 0.00 O ATOM 763 CB LEU A 51 10.030 -1.425 5.773 1.00 0.00 C ATOM 764 CG LEU A 51 10.018 -0.325 6.840 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.745 0.516 6.710 1.00 0.00 C ATOM 766 CD2 LEU A 51 10.057 -0.971 8.227 1.00 0.00 C ATOM 0 H LEU A 51 9.890 -2.880 3.885 1.00 0.00 H new ATOM 0 HA LEU A 51 9.225 -0.101 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.153 -2.062 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.906 -2.060 5.906 1.00 0.00 H new ATOM 0 HG LEU A 51 10.887 0.318 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.744 1.295 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.711 0.975 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.872 -0.123 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.049 -0.193 8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.186 -1.614 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.964 -1.567 8.326 1.00 0.00 H new ATOM 778 N ASN A 52 12.404 -0.721 3.803 1.00 0.00 N ATOM 779 CA ASN A 52 13.710 -0.028 3.573 1.00 0.00 C ATOM 780 C ASN A 52 13.623 0.953 2.398 1.00 0.00 C ATOM 781 O ASN A 52 14.100 2.068 2.487 1.00 0.00 O ATOM 782 CB ASN A 52 14.706 -1.144 3.245 1.00 0.00 C ATOM 783 CG ASN A 52 15.096 -1.893 4.520 1.00 0.00 C ATOM 784 OD1 ASN A 52 14.929 -1.389 5.614 1.00 0.00 O ATOM 785 ND2 ASN A 52 15.611 -3.088 4.423 1.00 0.00 N ATOM 0 H ASN A 52 12.426 -1.734 3.685 1.00 0.00 H new ATOM 0 HA ASN A 52 14.005 0.555 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.265 -1.836 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.595 -0.722 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.874 -3.600 5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.751 -3.510 3.505 1.00 0.00 H new ATOM 792 N CYS A 53 13.011 0.558 1.305 1.00 0.00 N ATOM 793 CA CYS A 53 12.897 1.493 0.140 1.00 0.00 C ATOM 794 C CYS A 53 11.616 2.322 0.267 1.00 0.00 C ATOM 795 O CYS A 53 11.545 3.447 -0.191 1.00 0.00 O ATOM 796 CB CYS A 53 12.913 0.622 -1.133 1.00 0.00 C ATOM 797 SG CYS A 53 11.526 -0.547 -1.151 1.00 0.00 S ATOM 0 H CYS A 53 12.590 -0.361 1.170 1.00 0.00 H new ATOM 0 HA CYS A 53 13.722 2.205 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.863 1.262 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.854 0.074 -1.189 1.00 0.00 H new ATOM 802 N LEU A 54 10.611 1.774 0.900 1.00 0.00 N ATOM 803 CA LEU A 54 9.328 2.520 1.083 1.00 0.00 C ATOM 804 C LEU A 54 9.551 3.757 1.962 1.00 0.00 C ATOM 805 O LEU A 54 8.995 4.807 1.712 1.00 0.00 O ATOM 806 CB LEU A 54 8.381 1.516 1.765 1.00 0.00 C ATOM 807 CG LEU A 54 6.950 2.067 1.906 1.00 0.00 C ATOM 808 CD1 LEU A 54 6.884 3.075 3.056 1.00 0.00 C ATOM 809 CD2 LEU A 54 6.485 2.739 0.601 1.00 0.00 C ATOM 0 H LEU A 54 10.623 0.836 1.301 1.00 0.00 H new ATOM 0 HA LEU A 54 8.919 2.883 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.357 0.592 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.770 1.265 2.752 1.00 0.00 H new ATOM 0 HG LEU A 54 6.286 1.229 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.867 3.458 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.171 2.585 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.566 3.901 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.471 3.119 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.154 3.564 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.500 2.010 -0.209 1.00 0.00 H new ATOM 821 N THR A 55 10.354 3.638 2.993 1.00 0.00 N ATOM 822 CA THR A 55 10.605 4.808 3.901 1.00 0.00 C ATOM 823 C THR A 55 11.138 5.999 3.095 1.00 0.00 C ATOM 824 O THR A 55 10.850 7.139 3.408 1.00 0.00 O ATOM 825 CB THR A 55 11.658 4.318 4.907 1.00 0.00 C ATOM 826 OG1 THR A 55 11.126 3.233 5.655 1.00 0.00 O ATOM 827 CG2 THR A 55 12.047 5.453 5.863 1.00 0.00 C ATOM 0 H THR A 55 10.847 2.782 3.247 1.00 0.00 H new ATOM 0 HA THR A 55 9.696 5.145 4.400 1.00 0.00 H new ATOM 0 HB THR A 55 12.545 3.993 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.552 2.398 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.794 5.093 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.460 6.284 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.164 5.789 6.407 1.00 0.00 H new ATOM 835 N LEU A 56 11.906 5.746 2.064 1.00 0.00 N ATOM 836 CA LEU A 56 12.446 6.878 1.247 1.00 0.00 C ATOM 837 C LEU A 56 11.295 7.681 0.631 1.00 0.00 C ATOM 838 O LEU A 56 11.313 8.897 0.634 1.00 0.00 O ATOM 839 CB LEU A 56 13.297 6.223 0.149 1.00 0.00 C ATOM 840 CG LEU A 56 14.715 5.939 0.669 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.396 7.254 1.058 1.00 0.00 C ATOM 842 CD2 LEU A 56 14.650 5.017 1.891 1.00 0.00 C ATOM 0 H LEU A 56 12.181 4.814 1.754 1.00 0.00 H new ATOM 0 HA LEU A 56 13.033 7.572 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.829 5.294 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.346 6.878 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 56 15.289 5.451 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.401 7.048 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.455 7.905 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.817 7.746 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.659 4.821 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.069 5.497 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.175 4.076 1.612 1.00 0.00 H new ATOM 854 N LEU A 57 10.286 7.014 0.127 1.00 0.00 N ATOM 855 CA LEU A 57 9.127 7.750 -0.464 1.00 0.00 C ATOM 856 C LEU A 57 7.925 7.707 0.491 1.00 0.00 C ATOM 857 O LEU A 57 6.830 8.088 0.128 1.00 0.00 O ATOM 858 CB LEU A 57 8.784 7.010 -1.763 1.00 0.00 C ATOM 859 CG LEU A 57 7.847 7.880 -2.613 1.00 0.00 C ATOM 860 CD1 LEU A 57 8.575 9.160 -3.028 1.00 0.00 C ATOM 861 CD2 LEU A 57 7.419 7.109 -3.865 1.00 0.00 C ATOM 0 H LEU A 57 10.215 5.997 0.099 1.00 0.00 H new ATOM 0 HA LEU A 57 9.368 8.798 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.695 6.787 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.307 6.056 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 57 6.964 8.136 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.910 9.778 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.875 9.713 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.459 8.903 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.754 7.730 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.300 6.849 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.897 6.198 -3.571 1.00 0.00 H new ATOM 873 N LEU A 58 8.103 7.224 1.708 1.00 0.00 N ATOM 874 CA LEU A 58 6.949 7.122 2.665 1.00 0.00 C ATOM 875 C LEU A 58 5.919 6.158 2.080 1.00 0.00 C ATOM 876 O LEU A 58 5.853 5.979 0.878 1.00 0.00 O ATOM 877 CB LEU A 58 6.355 8.538 2.799 1.00 0.00 C ATOM 878 CG LEU A 58 6.417 9.010 4.258 1.00 0.00 C ATOM 879 CD1 LEU A 58 5.631 8.052 5.157 1.00 0.00 C ATOM 880 CD2 LEU A 58 7.875 9.074 4.724 1.00 0.00 C ATOM 0 H LEU A 58 8.997 6.898 2.076 1.00 0.00 H new ATOM 0 HA LEU A 58 7.255 6.750 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.905 9.231 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.321 8.539 2.454 1.00 0.00 H new ATOM 0 HG LEU A 58 5.974 10.004 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.682 8.397 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.590 8.023 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.060 7.053 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.911 9.410 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.325 8.084 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.427 9.774 4.096 1.00 0.00 H new ATOM 892 N SER A 59 5.100 5.537 2.897 1.00 0.00 N ATOM 893 CA SER A 59 4.075 4.607 2.326 1.00 0.00 C ATOM 894 C SER A 59 3.145 5.437 1.445 1.00 0.00 C ATOM 895 O SER A 59 2.965 5.168 0.273 1.00 0.00 O ATOM 896 CB SER A 59 3.328 4.022 3.526 1.00 0.00 C ATOM 897 OG SER A 59 2.119 3.420 3.081 1.00 0.00 O ATOM 0 H SER A 59 5.096 5.631 3.913 1.00 0.00 H new ATOM 0 HA SER A 59 4.499 3.804 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.951 3.284 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.111 4.806 4.251 1.00 0.00 H new ATOM 0 HG SER A 59 1.640 3.043 3.848 1.00 0.00 H new ATOM 903 N VAL A 60 2.613 6.484 2.007 1.00 0.00 N ATOM 904 CA VAL A 60 1.745 7.415 1.239 1.00 0.00 C ATOM 905 C VAL A 60 1.862 8.819 1.837 1.00 0.00 C ATOM 906 O VAL A 60 0.900 9.351 2.362 1.00 0.00 O ATOM 907 CB VAL A 60 0.315 6.886 1.365 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.217 5.505 0.716 1.00 0.00 C ATOM 909 CG2 VAL A 60 -0.087 6.791 2.842 1.00 0.00 C ATOM 0 H VAL A 60 2.746 6.738 2.986 1.00 0.00 H new ATOM 0 HA VAL A 60 2.036 7.473 0.190 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.361 7.574 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.803 5.131 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.483 5.579 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.901 4.819 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.107 6.413 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.591 6.113 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.031 7.779 3.299 1.00 0.00 H new ATOM 919 N SER A 61 3.027 9.434 1.770 1.00 0.00 N ATOM 920 CA SER A 61 3.172 10.815 2.349 1.00 0.00 C ATOM 921 C SER A 61 2.108 11.725 1.734 1.00 0.00 C ATOM 922 O SER A 61 1.432 12.469 2.420 1.00 0.00 O ATOM 923 CB SER A 61 4.576 11.283 1.958 1.00 0.00 C ATOM 924 OG SER A 61 4.678 12.686 2.163 1.00 0.00 O ATOM 0 H SER A 61 3.870 9.046 1.347 1.00 0.00 H new ATOM 0 HA SER A 61 3.042 10.833 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.325 10.761 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.775 11.041 0.914 1.00 0.00 H new ATOM 0 HG SER A 61 5.577 12.988 1.915 1.00 0.00 H new ATOM 930 N ASN A 62 1.929 11.616 0.451 1.00 0.00 N ATOM 931 CA ASN A 62 0.879 12.404 -0.239 1.00 0.00 C ATOM 932 C ASN A 62 0.014 11.436 -1.043 1.00 0.00 C ATOM 933 O ASN A 62 -1.200 11.456 -0.969 1.00 0.00 O ATOM 934 CB ASN A 62 1.628 13.371 -1.157 1.00 0.00 C ATOM 935 CG ASN A 62 2.487 14.310 -0.308 1.00 0.00 C ATOM 936 OD1 ASN A 62 3.649 14.517 -0.595 1.00 0.00 O ATOM 937 ND2 ASN A 62 1.957 14.893 0.734 1.00 0.00 N ATOM 0 H ASN A 62 2.474 11.005 -0.157 1.00 0.00 H new ATOM 0 HA ASN A 62 0.229 12.953 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.256 12.816 -1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.920 13.947 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.519 15.522 1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.981 14.719 0.974 1.00 0.00 H new ATOM 944 N ARG A 63 0.645 10.582 -1.809 1.00 0.00 N ATOM 945 CA ARG A 63 -0.117 9.590 -2.629 1.00 0.00 C ATOM 946 C ARG A 63 0.769 8.396 -3.016 1.00 0.00 C ATOM 947 O ARG A 63 1.942 8.560 -3.299 1.00 0.00 O ATOM 948 CB ARG A 63 -0.513 10.368 -3.879 1.00 0.00 C ATOM 949 CG ARG A 63 -1.381 9.497 -4.787 1.00 0.00 C ATOM 950 CD ARG A 63 -1.685 10.279 -6.062 1.00 0.00 C ATOM 951 NE ARG A 63 -2.659 9.440 -6.828 1.00 0.00 N ATOM 952 CZ ARG A 63 -2.946 9.707 -8.089 1.00 0.00 C ATOM 953 NH1 ARG A 63 -2.332 10.665 -8.747 1.00 0.00 N ATOM 954 NH2 ARG A 63 -3.863 9.005 -8.697 1.00 0.00 N ATOM 0 H ARG A 63 1.659 10.529 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.970 9.181 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.057 11.270 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.380 10.689 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.865 8.568 -5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.307 9.226 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.108 11.257 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.778 10.453 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.109 8.648 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.615 11.223 -8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.573 10.850 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.349 8.260 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.094 9.202 -9.671 1.00 0.00 H new ATOM 968 N CYS A 64 0.211 7.210 -3.090 1.00 0.00 N ATOM 969 CA CYS A 64 1.018 6.030 -3.530 1.00 0.00 C ATOM 970 C CYS A 64 0.936 5.980 -5.067 1.00 0.00 C ATOM 971 O CYS A 64 -0.120 5.715 -5.606 1.00 0.00 O ATOM 972 CB CYS A 64 0.352 4.806 -2.889 1.00 0.00 C ATOM 973 SG CYS A 64 1.570 3.469 -2.712 1.00 0.00 S ATOM 0 H CYS A 64 -0.764 7.010 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 64 2.067 6.072 -3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.056 5.071 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.484 4.471 -3.504 1.00 0.00 H new ATOM 978 N PRO A 65 2.024 6.304 -5.736 1.00 0.00 N ATOM 979 CA PRO A 65 1.997 6.355 -7.226 1.00 0.00 C ATOM 980 C PRO A 65 1.785 4.978 -7.862 1.00 0.00 C ATOM 981 O PRO A 65 1.151 4.869 -8.895 1.00 0.00 O ATOM 982 CB PRO A 65 3.376 6.910 -7.586 1.00 0.00 C ATOM 983 CG PRO A 65 4.243 6.564 -6.421 1.00 0.00 C ATOM 984 CD PRO A 65 3.360 6.627 -5.205 1.00 0.00 C ATOM 0 HA PRO A 65 1.169 6.960 -7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.754 6.464 -8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.339 7.988 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.673 5.569 -6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.075 7.263 -6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.673 5.913 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.381 7.614 -4.744 1.00 0.00 H new ATOM 992 N ILE A 66 2.305 3.930 -7.272 1.00 0.00 N ATOM 993 CA ILE A 66 2.117 2.572 -7.874 1.00 0.00 C ATOM 994 C ILE A 66 0.672 2.095 -7.707 1.00 0.00 C ATOM 995 O ILE A 66 0.080 1.569 -8.632 1.00 0.00 O ATOM 996 CB ILE A 66 3.110 1.654 -7.163 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.528 2.197 -7.369 1.00 0.00 C ATOM 998 CG2 ILE A 66 3.024 0.249 -7.762 1.00 0.00 C ATOM 999 CD1 ILE A 66 5.509 1.440 -6.478 1.00 0.00 C ATOM 0 H ILE A 66 2.847 3.954 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 66 2.302 2.578 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 66 2.875 1.615 -6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.818 2.093 -8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.557 3.261 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.732 -0.407 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.014 -0.140 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.265 0.291 -8.824 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.515 1.831 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.224 1.567 -5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.490 0.381 -6.733 1.00 0.00 H new ATOM 1011 N CYS A 67 0.093 2.280 -6.544 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.326 1.843 -6.336 1.00 0.00 C ATOM 1013 C CYS A 67 -2.238 2.544 -7.351 1.00 0.00 C ATOM 1014 O CYS A 67 -3.325 2.085 -7.643 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.684 2.261 -4.912 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.073 1.013 -3.749 1.00 0.00 S ATOM 0 H CYS A 67 0.538 2.712 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.449 0.769 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.245 3.232 -4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.764 2.369 -4.813 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.795 3.659 -7.898 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.616 4.403 -8.906 1.00 0.00 C ATOM 1023 C LYS A 68 -3.915 4.889 -8.271 1.00 0.00 C ATOM 1024 O LYS A 68 -4.930 5.007 -8.932 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.909 3.400 -10.034 1.00 0.00 C ATOM 1026 CG LYS A 68 -2.691 4.060 -11.395 1.00 0.00 C ATOM 1027 CD LYS A 68 -2.818 3.000 -12.490 1.00 0.00 C ATOM 1028 CE LYS A 68 -4.259 2.482 -12.535 1.00 0.00 C ATOM 1029 NZ LYS A 68 -4.288 1.515 -13.666 1.00 0.00 N ATOM 0 H LYS A 68 -0.893 4.085 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.093 5.282 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.260 2.530 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.936 3.042 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.424 4.852 -11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.706 4.525 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.543 3.424 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.130 2.177 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.534 2.000 -11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.966 3.296 -12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.245 1.118 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.029 2.003 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.611 0.747 -13.484 1.00 0.00 H new ATOM 1043 N MET A 69 -3.891 5.177 -6.995 1.00 0.00 N ATOM 1044 CA MET A 69 -5.132 5.663 -6.321 1.00 0.00 C ATOM 1045 C MET A 69 -4.812 6.787 -5.322 1.00 0.00 C ATOM 1046 O MET A 69 -3.728 6.835 -4.775 1.00 0.00 O ATOM 1047 CB MET A 69 -5.705 4.438 -5.611 1.00 0.00 C ATOM 1048 CG MET A 69 -6.666 3.720 -6.562 1.00 0.00 C ATOM 1049 SD MET A 69 -7.455 2.335 -5.709 1.00 0.00 S ATOM 1050 CE MET A 69 -8.826 2.116 -6.869 1.00 0.00 C ATOM 0 H MET A 69 -3.071 5.097 -6.394 1.00 0.00 H new ATOM 0 HA MET A 69 -5.842 6.087 -7.031 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.901 3.767 -5.309 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.227 4.738 -4.703 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.424 4.416 -6.921 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.124 3.359 -7.436 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.459 1.294 -6.534 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.415 3.032 -6.914 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.432 1.889 -7.860 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.769 7.673 -5.129 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.573 8.816 -4.204 1.00 0.00 C ATOM 1062 C PRO A 70 -5.741 8.380 -2.747 1.00 0.00 C ATOM 1063 O PRO A 70 -6.353 7.371 -2.459 1.00 0.00 O ATOM 1064 CB PRO A 70 -6.676 9.791 -4.603 1.00 0.00 C ATOM 1065 CG PRO A 70 -7.753 8.950 -5.215 1.00 0.00 C ATOM 1066 CD PRO A 70 -7.110 7.692 -5.740 1.00 0.00 C ATOM 0 HA PRO A 70 -4.574 9.247 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.049 10.337 -3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.307 10.532 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.517 8.709 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.249 9.491 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.684 6.808 -5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.049 7.703 -6.828 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.212 9.149 -1.827 1.00 0.00 N ATOM 1075 CA LEU A 71 -5.353 8.799 -0.384 1.00 0.00 C ATOM 1076 C LEU A 71 -6.302 9.798 0.295 1.00 0.00 C ATOM 1077 O LEU A 71 -5.859 10.754 0.900 1.00 0.00 O ATOM 1078 CB LEU A 71 -3.937 8.903 0.194 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.319 7.504 0.338 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -4.144 6.671 1.321 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.285 6.799 -1.026 1.00 0.00 C ATOM 0 H LEU A 71 -4.689 10.004 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.771 7.804 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.315 9.518 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.968 9.397 1.165 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.301 7.607 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.701 5.680 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.155 7.162 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.165 6.577 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.845 5.808 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.300 6.703 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.686 7.384 -1.723 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.589 9.551 0.164 1.00 0.00 N ATOM 1094 CA PRO A 72 -8.599 10.457 0.769 1.00 0.00 C ATOM 1095 C PRO A 72 -8.565 10.360 2.295 1.00 0.00 C ATOM 1096 O PRO A 72 -8.143 9.366 2.856 1.00 0.00 O ATOM 1097 CB PRO A 72 -9.927 9.943 0.216 1.00 0.00 C ATOM 1098 CG PRO A 72 -9.670 8.511 -0.118 1.00 0.00 C ATOM 1099 CD PRO A 72 -8.229 8.426 -0.541 1.00 0.00 C ATOM 0 HA PRO A 72 -8.425 11.507 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.726 10.041 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.233 10.506 -0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.860 7.871 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.330 8.174 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.785 7.472 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.123 8.519 -1.622 1.00 0.00 H new ATOM 1107 N THR A 73 -9.007 11.390 2.964 1.00 0.00 N ATOM 1108 CA THR A 73 -9.009 11.382 4.458 1.00 0.00 C ATOM 1109 C THR A 73 -10.312 11.996 4.971 1.00 0.00 C ATOM 1110 O THR A 73 -10.981 12.726 4.263 1.00 0.00 O ATOM 1111 CB THR A 73 -7.806 12.240 4.872 1.00 0.00 C ATOM 1112 OG1 THR A 73 -7.775 12.349 6.289 1.00 0.00 O ATOM 1113 CG2 THR A 73 -7.922 13.640 4.260 1.00 0.00 C ATOM 0 H THR A 73 -9.370 12.243 2.538 1.00 0.00 H new ATOM 0 HA THR A 73 -8.939 10.375 4.869 1.00 0.00 H new ATOM 0 HB THR A 73 -6.891 11.769 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.007 12.895 6.558 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.063 14.241 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.948 13.561 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.838 14.116 4.611 1.00 0.00 H new ATOM 1121 N LYS A 74 -10.680 11.703 6.191 1.00 0.00 N ATOM 1122 CA LYS A 74 -11.944 12.270 6.746 1.00 0.00 C ATOM 1123 C LYS A 74 -11.626 13.352 7.778 1.00 0.00 C ATOM 1124 O LYS A 74 -10.740 13.198 8.597 1.00 0.00 O ATOM 1125 CB LYS A 74 -12.657 11.086 7.405 1.00 0.00 C ATOM 1126 CG LYS A 74 -12.946 10.005 6.358 1.00 0.00 C ATOM 1127 CD LYS A 74 -13.940 10.539 5.323 1.00 0.00 C ATOM 1128 CE LYS A 74 -14.224 9.454 4.283 1.00 0.00 C ATOM 1129 NZ LYS A 74 -15.215 10.065 3.353 1.00 0.00 N ATOM 0 H LYS A 74 -10.161 11.097 6.826 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.561 12.736 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.038 10.676 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.588 11.420 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.021 9.705 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.352 9.117 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.866 10.839 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.534 11.426 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.315 9.164 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.623 8.554 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.461 9.381 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.072 10.325 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.804 10.916 2.918 1.00 0.00 H new ATOM 1143 N LEU A 75 -12.345 14.445 7.743 1.00 0.00 N ATOM 1144 CA LEU A 75 -12.092 15.545 8.722 1.00 0.00 C ATOM 1145 C LEU A 75 -12.363 15.058 10.146 1.00 0.00 C ATOM 1146 O LEU A 75 -11.629 15.365 11.066 1.00 0.00 O ATOM 1147 CB LEU A 75 -13.067 16.662 8.343 1.00 0.00 C ATOM 1148 CG LEU A 75 -12.476 17.496 7.205 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -12.453 16.668 5.919 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -13.331 18.747 6.993 1.00 0.00 C ATOM 0 H LEU A 75 -13.097 14.623 7.078 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.057 15.887 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.022 16.236 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.263 17.296 9.208 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.458 17.790 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.032 17.264 5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.842 15.778 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.469 16.371 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.911 19.342 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.349 18.453 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.343 19.339 7.908 1.00 0.00 H new ATOM 1162 N ARG A 76 -13.422 14.305 10.336 1.00 0.00 N ATOM 1163 CA ARG A 76 -13.763 13.792 11.704 1.00 0.00 C ATOM 1164 C ARG A 76 -13.809 14.956 12.712 1.00 0.00 C ATOM 1165 O ARG A 76 -13.061 14.971 13.670 1.00 0.00 O ATOM 1166 CB ARG A 76 -12.649 12.803 12.053 1.00 0.00 C ATOM 1167 CG ARG A 76 -12.903 11.484 11.319 1.00 0.00 C ATOM 1168 CD ARG A 76 -11.568 10.803 11.018 1.00 0.00 C ATOM 1169 NE ARG A 76 -11.111 10.271 12.336 1.00 0.00 N ATOM 1170 CZ ARG A 76 -11.517 9.100 12.775 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -12.555 8.494 12.245 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -10.879 8.536 13.762 1.00 0.00 N ATOM 0 H ARG A 76 -14.068 14.022 9.599 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.742 13.315 11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.680 13.212 11.767 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.619 12.635 13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.527 10.831 11.928 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.446 11.670 10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.687 10.003 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.848 11.508 10.604 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.472 10.826 12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.064 8.932 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.852 7.586 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.076 9.003 14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.183 7.628 14.113 1.00 0.00 H new ATOM 1186 N PRO A 77 -14.686 15.905 12.457 1.00 0.00 N ATOM 1187 CA PRO A 77 -14.808 17.078 13.355 1.00 0.00 C ATOM 1188 C PRO A 77 -15.492 16.682 14.665 1.00 0.00 C ATOM 1189 O PRO A 77 -16.191 15.690 14.735 1.00 0.00 O ATOM 1190 CB PRO A 77 -15.667 18.056 12.559 1.00 0.00 C ATOM 1191 CG PRO A 77 -16.461 17.205 11.621 1.00 0.00 C ATOM 1192 CD PRO A 77 -15.640 15.975 11.334 1.00 0.00 C ATOM 0 HA PRO A 77 -13.845 17.503 13.637 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -16.319 18.632 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -15.049 18.771 12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.419 16.934 12.065 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.678 17.746 10.700 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -16.264 15.082 11.285 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.124 16.055 10.377 1.00 0.00 H new ATOM 1200 N SER A 78 -15.289 17.452 15.704 1.00 0.00 N ATOM 1201 CA SER A 78 -15.922 17.125 17.018 1.00 0.00 C ATOM 1202 C SER A 78 -17.435 17.340 16.942 1.00 0.00 C ATOM 1203 O SER A 78 -17.908 18.242 16.278 1.00 0.00 O ATOM 1204 CB SER A 78 -15.297 18.096 18.019 1.00 0.00 C ATOM 1205 OG SER A 78 -13.983 17.659 18.340 1.00 0.00 O ATOM 0 H SER A 78 -14.712 18.293 15.699 1.00 0.00 H new ATOM 0 HA SER A 78 -15.759 16.086 17.304 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.266 19.101 17.597 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.906 18.148 18.922 1.00 0.00 H new ATOM 0 HG SER A 78 -13.579 18.281 18.981 1.00 0.00 H new ATOM 1211 N ALA A 79 -18.192 16.519 17.624 1.00 0.00 N ATOM 1212 CA ALA A 79 -19.678 16.672 17.602 1.00 0.00 C ATOM 1213 C ALA A 79 -20.087 17.932 18.370 1.00 0.00 C ATOM 1214 O ALA A 79 -19.490 18.276 19.372 1.00 0.00 O ATOM 1215 CB ALA A 79 -20.223 15.422 18.295 1.00 0.00 C ATOM 0 H ALA A 79 -17.845 15.749 18.196 1.00 0.00 H new ATOM 0 HA ALA A 79 -20.066 16.773 16.588 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -21.312 15.464 18.317 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.905 14.535 17.748 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.841 15.376 19.315 1.00 0.00 H new ATOM 1221 N ALA A 80 -21.099 18.618 17.906 1.00 0.00 N ATOM 1222 CA ALA A 80 -21.557 19.855 18.605 1.00 0.00 C ATOM 1223 C ALA A 80 -23.015 20.164 18.225 1.00 0.00 C ATOM 1224 O ALA A 80 -23.263 21.010 17.388 1.00 0.00 O ATOM 1225 CB ALA A 80 -20.619 20.959 18.112 1.00 0.00 C ATOM 0 H ALA A 80 -21.630 18.374 17.070 1.00 0.00 H new ATOM 0 HA ALA A 80 -21.528 19.757 19.690 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -20.891 21.904 18.582 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -19.591 20.707 18.373 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -20.706 21.053 17.030 1.00 0.00 H new ATOM 1231 N PRO A 81 -23.942 19.461 18.845 1.00 0.00 N ATOM 1232 CA PRO A 81 -25.379 19.675 18.543 1.00 0.00 C ATOM 1233 C PRO A 81 -25.839 21.035 19.071 1.00 0.00 C ATOM 1234 O PRO A 81 -26.734 21.652 18.526 1.00 0.00 O ATOM 1235 CB PRO A 81 -26.081 18.534 19.280 1.00 0.00 C ATOM 1236 CG PRO A 81 -25.144 18.151 20.378 1.00 0.00 C ATOM 1237 CD PRO A 81 -23.750 18.428 19.880 1.00 0.00 C ATOM 0 HA PRO A 81 -25.595 19.676 17.475 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -27.045 18.854 19.677 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.274 17.693 18.614 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -25.352 18.725 21.281 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -25.260 17.098 20.635 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -23.102 18.782 20.682 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -23.287 17.531 19.468 1.00 0.00 H new ATOM 1245 N THR A 82 -25.229 21.502 20.131 1.00 0.00 N ATOM 1246 CA THR A 82 -25.621 22.821 20.705 1.00 0.00 C ATOM 1247 C THR A 82 -24.388 23.703 20.908 1.00 0.00 C ATOM 1248 O THR A 82 -23.393 23.273 21.462 1.00 0.00 O ATOM 1249 CB THR A 82 -26.267 22.491 22.052 1.00 0.00 C ATOM 1250 OG1 THR A 82 -25.362 21.721 22.832 1.00 0.00 O ATOM 1251 CG2 THR A 82 -27.553 21.696 21.823 1.00 0.00 C ATOM 0 H THR A 82 -24.475 21.024 20.624 1.00 0.00 H new ATOM 0 HA THR A 82 -26.297 23.368 20.048 1.00 0.00 H new ATOM 0 HB THR A 82 -26.505 23.415 22.578 1.00 0.00 H new ATOM 0 HG1 THR A 82 -24.446 21.883 22.525 1.00 0.00 H new ATOM 0 HG21 THR A 82 -28.012 21.462 22.784 1.00 0.00 H new ATOM 0 HG22 THR A 82 -28.245 22.288 21.225 1.00 0.00 H new ATOM 0 HG23 THR A 82 -27.320 20.770 21.297 1.00 0.00 H new ATOM 1259 N ALA A 83 -24.452 24.936 20.476 1.00 0.00 N ATOM 1260 CA ALA A 83 -23.290 25.855 20.652 1.00 0.00 C ATOM 1261 C ALA A 83 -23.210 26.332 22.112 1.00 0.00 C ATOM 1262 O ALA A 83 -22.179 26.202 22.738 1.00 0.00 O ATOM 1263 CB ALA A 83 -23.555 27.033 19.711 1.00 0.00 C ATOM 0 H ALA A 83 -25.261 25.346 20.008 1.00 0.00 H new ATOM 0 HA ALA A 83 -22.342 25.367 20.424 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -22.738 27.751 19.788 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -23.624 26.671 18.685 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -24.491 27.517 19.989 1.00 0.00 H new ATOM 1269 N PRO A 84 -24.301 26.872 22.620 1.00 0.00 N ATOM 1270 CA PRO A 84 -24.307 27.358 24.021 1.00 0.00 C ATOM 1271 C PRO A 84 -24.451 26.176 24.999 1.00 0.00 C ATOM 1272 O PRO A 84 -25.401 25.426 24.905 1.00 0.00 O ATOM 1273 CB PRO A 84 -25.539 28.255 24.084 1.00 0.00 C ATOM 1274 CG PRO A 84 -26.454 27.753 23.011 1.00 0.00 C ATOM 1275 CD PRO A 84 -25.603 27.085 21.960 1.00 0.00 C ATOM 0 HA PRO A 84 -23.389 27.877 24.296 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -26.015 28.200 25.063 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -25.273 29.299 23.917 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -27.177 27.048 23.423 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -27.023 28.576 22.577 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -26.042 26.142 21.634 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -25.501 27.712 21.074 1.00 0.00 H new ATOM 1283 N PRO A 85 -23.511 26.039 25.914 1.00 0.00 N ATOM 1284 CA PRO A 85 -23.584 24.926 26.895 1.00 0.00 C ATOM 1285 C PRO A 85 -24.745 25.144 27.875 1.00 0.00 C ATOM 1286 O PRO A 85 -25.259 24.208 28.458 1.00 0.00 O ATOM 1287 CB PRO A 85 -22.241 24.991 27.620 1.00 0.00 C ATOM 1288 CG PRO A 85 -21.787 26.405 27.460 1.00 0.00 C ATOM 1289 CD PRO A 85 -22.320 26.881 26.135 1.00 0.00 C ATOM 0 HA PRO A 85 -23.762 23.958 26.426 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.347 24.726 28.672 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -21.524 24.294 27.187 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -22.161 27.026 28.274 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -20.699 26.468 27.485 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -22.578 27.940 26.164 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -21.586 26.754 25.339 1.00 0.00 H new ATOM 1297 N THR A 86 -25.155 26.376 28.061 1.00 0.00 N ATOM 1298 CA THR A 86 -26.278 26.666 29.006 1.00 0.00 C ATOM 1299 C THR A 86 -27.569 25.999 28.516 1.00 0.00 C ATOM 1300 O THR A 86 -28.289 25.385 29.281 1.00 0.00 O ATOM 1301 CB THR A 86 -26.421 28.193 28.999 1.00 0.00 C ATOM 1302 OG1 THR A 86 -25.206 28.779 29.446 1.00 0.00 O ATOM 1303 CG2 THR A 86 -27.559 28.618 29.929 1.00 0.00 C ATOM 0 H THR A 86 -24.759 27.194 27.598 1.00 0.00 H new ATOM 0 HA THR A 86 -26.085 26.282 30.007 1.00 0.00 H new ATOM 0 HB THR A 86 -26.644 28.527 27.986 1.00 0.00 H new ATOM 0 HG1 THR A 86 -25.293 29.755 29.441 1.00 0.00 H new ATOM 0 HG21 THR A 86 -27.652 29.704 29.917 1.00 0.00 H new ATOM 0 HG22 THR A 86 -28.493 28.170 29.590 1.00 0.00 H new ATOM 0 HG23 THR A 86 -27.344 28.284 30.944 1.00 0.00 H new ATOM 1311 N GLY A 87 -27.861 26.119 27.246 1.00 0.00 N ATOM 1312 CA GLY A 87 -29.102 25.499 26.694 1.00 0.00 C ATOM 1313 C GLY A 87 -30.301 26.399 27.000 1.00 0.00 C ATOM 1314 O GLY A 87 -30.291 27.155 27.952 1.00 0.00 O ATOM 0 H GLY A 87 -27.291 26.622 26.566 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -29.004 25.359 25.617 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -29.254 24.512 27.131 1.00 0.00 H new ATOM 1318 N ALA A 88 -31.334 26.319 26.199 1.00 0.00 N ATOM 1319 CA ALA A 88 -32.542 27.166 26.441 1.00 0.00 C ATOM 1320 C ALA A 88 -33.301 26.657 27.669 1.00 0.00 C ATOM 1321 O ALA A 88 -33.381 25.466 27.908 1.00 0.00 O ATOM 1322 CB ALA A 88 -33.397 27.020 25.180 1.00 0.00 C ATOM 0 H ALA A 88 -31.393 25.704 25.388 1.00 0.00 H new ATOM 0 HA ALA A 88 -32.284 28.207 26.633 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -34.304 27.616 25.284 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -32.832 27.368 24.315 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -33.665 25.973 25.041 1.00 0.00 H new ATOM 1328 N ALA A 89 -33.858 27.550 28.449 1.00 0.00 N ATOM 1329 CA ALA A 89 -34.614 27.122 29.664 1.00 0.00 C ATOM 1330 C ALA A 89 -35.442 28.290 30.211 1.00 0.00 C ATOM 1331 O ALA A 89 -36.657 28.231 30.256 1.00 0.00 O ATOM 1332 CB ALA A 89 -33.542 26.706 30.671 1.00 0.00 C ATOM 0 H ALA A 89 -33.821 28.558 28.296 1.00 0.00 H new ATOM 0 HA ALA A 89 -35.311 26.311 29.453 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -34.018 26.377 31.595 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -32.951 25.889 30.257 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -32.891 27.555 30.881 1.00 0.00 H new ATOM 1338 N ASP A 90 -34.791 29.348 30.622 1.00 0.00 N ATOM 1339 CA ASP A 90 -35.532 30.528 31.164 1.00 0.00 C ATOM 1340 C ASP A 90 -35.631 31.635 30.105 1.00 0.00 C ATOM 1341 O ASP A 90 -35.857 32.787 30.427 1.00 0.00 O ATOM 1342 CB ASP A 90 -34.706 31.005 32.362 1.00 0.00 C ATOM 1343 CG ASP A 90 -35.493 32.056 33.156 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -36.711 32.057 33.067 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -34.861 32.844 33.840 1.00 0.00 O ATOM 0 H ASP A 90 -33.776 29.446 30.606 1.00 0.00 H new ATOM 0 HA ASP A 90 -36.553 30.272 31.448 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -34.461 30.160 33.005 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -33.762 31.428 32.018 1.00 0.00 H new ATOM 1350 N SER A 91 -35.456 31.298 28.850 1.00 0.00 N ATOM 1351 CA SER A 91 -35.537 32.333 27.773 1.00 0.00 C ATOM 1352 C SER A 91 -36.921 32.987 27.770 1.00 0.00 C ATOM 1353 O SER A 91 -37.046 34.193 27.667 1.00 0.00 O ATOM 1354 CB SER A 91 -35.299 31.578 26.465 1.00 0.00 C ATOM 1355 OG SER A 91 -35.683 32.399 25.371 1.00 0.00 O ATOM 0 H SER A 91 -35.261 30.351 28.525 1.00 0.00 H new ATOM 0 HA SER A 91 -34.807 33.130 27.917 1.00 0.00 H new ATOM 0 HB2 SER A 91 -34.248 31.303 26.377 1.00 0.00 H new ATOM 0 HB3 SER A 91 -35.872 30.651 26.457 1.00 0.00 H new ATOM 0 HG SER A 91 -35.530 31.918 24.531 1.00 0.00 H new ATOM 1361 N ILE A 92 -37.961 32.199 27.887 1.00 0.00 N ATOM 1362 CA ILE A 92 -39.340 32.773 27.895 1.00 0.00 C ATOM 1363 C ILE A 92 -40.069 32.361 29.179 1.00 0.00 C ATOM 1364 O ILE A 92 -40.133 31.195 29.519 1.00 0.00 O ATOM 1365 CB ILE A 92 -40.036 32.180 26.664 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -39.258 32.559 25.390 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -41.468 32.717 26.570 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -39.196 34.083 25.232 1.00 0.00 C ATOM 0 H ILE A 92 -37.914 31.184 27.977 1.00 0.00 H new ATOM 0 HA ILE A 92 -39.333 33.863 27.864 1.00 0.00 H new ATOM 0 HB ILE A 92 -40.063 31.094 26.759 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -38.248 32.151 25.439 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -39.739 32.116 24.518 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -41.959 32.293 25.694 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -42.021 32.437 27.467 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -41.444 33.803 26.482 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -38.643 34.333 24.327 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -40.208 34.483 25.161 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -38.694 34.518 26.096 1.00 0.00 H new ATOM 1380 N ARG A 93 -40.622 33.312 29.884 1.00 0.00 N ATOM 1381 CA ARG A 93 -41.355 32.995 31.144 1.00 0.00 C ATOM 1382 C ARG A 93 -42.115 34.241 31.630 1.00 0.00 C ATOM 1383 O ARG A 93 -41.901 34.700 32.735 1.00 0.00 O ATOM 1384 CB ARG A 93 -40.274 32.592 32.150 1.00 0.00 C ATOM 1385 CG ARG A 93 -40.800 31.455 33.030 1.00 0.00 C ATOM 1386 CD ARG A 93 -39.637 30.810 33.785 1.00 0.00 C ATOM 1387 NE ARG A 93 -39.648 31.460 35.123 1.00 0.00 N ATOM 1388 CZ ARG A 93 -38.534 31.887 35.648 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -37.541 31.061 35.830 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -38.412 33.140 35.990 1.00 0.00 N ATOM 0 H ARG A 93 -40.597 34.302 29.639 1.00 0.00 H new ATOM 0 HA ARG A 93 -42.090 32.202 31.010 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -39.373 32.274 31.625 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -39.998 33.447 32.767 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -41.537 31.839 33.736 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -41.305 30.710 32.415 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -39.769 29.731 33.868 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -38.690 30.977 33.271 1.00 0.00 H new ATOM 0 HE ARG A 93 -40.527 31.571 35.629 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -37.637 30.082 35.562 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -36.669 31.394 36.241 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -39.188 33.786 35.847 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -37.540 33.474 36.401 1.00 0.00 H new ATOM 1404 N PRO A 94 -42.982 34.759 30.785 1.00 0.00 N ATOM 1405 CA PRO A 94 -43.764 35.966 31.156 1.00 0.00 C ATOM 1406 C PRO A 94 -44.811 35.625 32.228 1.00 0.00 C ATOM 1407 O PRO A 94 -45.274 34.503 32.295 1.00 0.00 O ATOM 1408 CB PRO A 94 -44.433 36.379 29.846 1.00 0.00 C ATOM 1409 CG PRO A 94 -44.501 35.127 29.033 1.00 0.00 C ATOM 1410 CD PRO A 94 -43.319 34.283 29.430 1.00 0.00 C ATOM 0 HA PRO A 94 -43.149 36.759 31.581 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -45.427 36.789 30.023 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -43.857 37.150 29.335 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -45.435 34.596 29.219 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -44.471 35.356 27.968 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -43.568 33.222 29.430 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -42.485 34.415 28.741 1.00 0.00 H new ATOM 1418 N PRO A 95 -45.154 36.602 33.042 1.00 0.00 N ATOM 1419 CA PRO A 95 -46.158 36.371 34.114 1.00 0.00 C ATOM 1420 C PRO A 95 -47.575 36.273 33.518 1.00 0.00 C ATOM 1421 O PRO A 95 -48.088 37.253 33.014 1.00 0.00 O ATOM 1422 CB PRO A 95 -46.028 37.608 35.001 1.00 0.00 C ATOM 1423 CG PRO A 95 -45.473 38.675 34.112 1.00 0.00 C ATOM 1424 CD PRO A 95 -44.655 37.989 33.048 1.00 0.00 C ATOM 0 HA PRO A 95 -45.993 35.441 34.658 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -46.994 37.901 35.411 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -45.367 37.418 35.847 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -46.277 39.258 33.663 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -44.857 39.369 34.683 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -44.788 38.464 32.076 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -43.590 38.028 33.278 1.00 0.00 H new ATOM 1432 N PRO A 96 -48.173 35.099 33.588 1.00 0.00 N ATOM 1433 CA PRO A 96 -49.542 34.925 33.038 1.00 0.00 C ATOM 1434 C PRO A 96 -50.567 35.634 33.928 1.00 0.00 C ATOM 1435 O PRO A 96 -50.380 35.752 35.124 1.00 0.00 O ATOM 1436 CB PRO A 96 -49.754 33.414 33.062 1.00 0.00 C ATOM 1437 CG PRO A 96 -48.845 32.916 34.139 1.00 0.00 C ATOM 1438 CD PRO A 96 -47.660 33.846 34.174 1.00 0.00 C ATOM 0 HA PRO A 96 -49.659 35.348 32.040 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -50.793 33.164 33.275 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -49.509 32.965 32.099 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -49.356 32.905 35.102 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -48.528 31.893 33.935 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -47.302 33.999 35.192 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -46.824 33.449 33.598 1.00 0.00 H new ATOM 1446 N TYR A 97 -51.648 36.098 33.354 1.00 0.00 N ATOM 1447 CA TYR A 97 -52.691 36.793 34.167 1.00 0.00 C ATOM 1448 C TYR A 97 -54.051 36.123 33.958 1.00 0.00 C ATOM 1449 O TYR A 97 -54.491 35.934 32.840 1.00 0.00 O ATOM 1450 CB TYR A 97 -52.714 38.232 33.646 1.00 0.00 C ATOM 1451 CG TYR A 97 -53.681 39.051 34.470 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -53.315 39.487 35.750 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -54.942 39.377 33.955 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -54.210 40.246 36.514 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -55.837 40.136 34.719 1.00 0.00 C ATOM 1456 CZ TYR A 97 -55.470 40.571 35.999 1.00 0.00 C ATOM 1457 OH TYR A 97 -56.352 41.319 36.752 1.00 0.00 O ATOM 0 H TYR A 97 -51.853 36.025 32.357 1.00 0.00 H new ATOM 0 HA TYR A 97 -52.476 36.754 35.235 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -51.715 38.666 33.700 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -53.011 38.246 32.597 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -52.342 39.238 36.148 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -55.224 39.043 32.968 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -53.928 40.581 37.501 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -56.810 40.386 34.322 1.00 0.00 H new ATOM 0 HH TYR A 97 -57.180 41.455 36.246 1.00 0.00 H new ATOM 1467 N SER A 98 -54.718 35.767 35.026 1.00 0.00 N ATOM 1468 CA SER A 98 -56.054 35.111 34.897 1.00 0.00 C ATOM 1469 C SER A 98 -56.805 35.172 36.237 1.00 0.00 C ATOM 1470 O SER A 98 -56.719 34.255 37.029 1.00 0.00 O ATOM 1471 CB SER A 98 -55.750 33.664 34.510 1.00 0.00 C ATOM 1472 OG SER A 98 -56.888 33.101 33.868 1.00 0.00 O ATOM 0 H SER A 98 -54.394 35.903 35.984 1.00 0.00 H new ATOM 0 HA SER A 98 -56.688 35.602 34.158 1.00 0.00 H new ATOM 0 HB2 SER A 98 -54.887 33.627 33.845 1.00 0.00 H new ATOM 0 HB3 SER A 98 -55.494 33.084 35.397 1.00 0.00 H new ATOM 0 HG SER A 98 -56.696 32.173 33.617 1.00 0.00 H new ATOM 1478 N PRO A 99 -57.523 36.256 36.454 1.00 0.00 N ATOM 1479 CA PRO A 99 -58.285 36.413 37.716 1.00 0.00 C ATOM 1480 C PRO A 99 -59.531 35.524 37.700 1.00 0.00 C ATOM 1481 O PRO A 99 -60.141 35.410 36.651 1.00 0.00 O ATOM 1482 CB PRO A 99 -58.674 37.889 37.723 1.00 0.00 C ATOM 1483 CG PRO A 99 -58.677 38.300 36.285 1.00 0.00 C ATOM 1484 CD PRO A 99 -57.690 37.418 35.564 1.00 0.00 C ATOM 1485 OXT PRO A 99 -59.855 34.973 38.740 1.00 0.00 O ATOM 0 HA PRO A 99 -57.714 36.124 38.598 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -59.654 38.036 38.177 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -57.964 38.481 38.300 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -59.673 38.192 35.857 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -58.399 39.349 36.185 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -58.065 37.119 34.585 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -56.743 37.932 35.399 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.630 -2.632 -2.200 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.973 1.234 -2.711 1.00 0.00 ZN