USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 746 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0246) USER MOD Single : A 9 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0573) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 13:sc= 0.353! USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= -5.39! (180deg=-11.3!) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.0198 (180deg=-0.227) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.279 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 56 SER OG : rot 180:sc= -0.222 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.093 (180deg=-0.664) USER MOD Single : A 60 LYS NZ :NH3+ -131:sc= -5.95! (180deg=-14.7!) USER MOD Single : A 68 THR OG1 : rot 37:sc= 0.317 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 75 TYR OH : rot 150:sc= 0.385 USER MOD Single : A 82 THR OG1 : rot -75:sc= 0.797 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= -0.238 (180deg=-1.09) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0103 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.563 -5.671 0.539 1.00 0.00 N ATOM 2 CA MET A 1 -20.014 -6.428 -0.620 1.00 0.00 C ATOM 3 C MET A 1 -19.016 -5.545 -1.377 1.00 0.00 C ATOM 4 O MET A 1 -17.818 -5.669 -1.206 1.00 0.00 O ATOM 5 CB MET A 1 -21.162 -6.833 -1.554 1.00 0.00 C ATOM 6 CG MET A 1 -20.607 -7.582 -2.771 1.00 0.00 C ATOM 7 SD MET A 1 -21.855 -7.609 -4.083 1.00 0.00 S ATOM 8 CE MET A 1 -22.227 -9.379 -4.020 1.00 0.00 C ATOM 0 H1 MET A 1 -21.241 -6.268 1.054 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.787 -5.400 1.176 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.046 -4.815 0.198 1.00 0.00 H new ATOM 0 HA MET A 1 -19.505 -7.324 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.871 -7.465 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.707 -5.947 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.699 -7.096 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.335 -8.600 -2.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.988 -9.617 -4.763 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.322 -9.949 -4.232 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.595 -9.638 -3.027 1.00 0.00 H new ATOM 17 N GLU A 2 -19.505 -4.662 -2.212 1.00 0.00 N ATOM 18 CA GLU A 2 -18.604 -3.762 -2.998 1.00 0.00 C ATOM 19 C GLU A 2 -17.625 -4.598 -3.827 1.00 0.00 C ATOM 20 O GLU A 2 -16.582 -5.010 -3.353 1.00 0.00 O ATOM 21 CB GLU A 2 -17.821 -2.841 -2.056 1.00 0.00 C ATOM 22 CG GLU A 2 -16.966 -1.877 -2.886 1.00 0.00 C ATOM 23 CD GLU A 2 -16.665 -0.619 -2.068 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.526 0.244 -2.007 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.577 -0.538 -1.519 1.00 0.00 O ATOM 0 H GLU A 2 -20.501 -4.525 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.215 -3.153 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.508 -2.282 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.186 -3.432 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.035 -2.362 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.490 -1.609 -3.804 1.00 0.00 H new ATOM 32 N LYS A 3 -17.951 -4.847 -5.066 1.00 0.00 N ATOM 33 CA LYS A 3 -17.044 -5.651 -5.936 1.00 0.00 C ATOM 34 C LYS A 3 -15.965 -4.740 -6.535 1.00 0.00 C ATOM 35 O LYS A 3 -15.172 -5.161 -7.356 1.00 0.00 O ATOM 36 CB LYS A 3 -17.858 -6.289 -7.063 1.00 0.00 C ATOM 37 CG LYS A 3 -18.557 -7.550 -6.541 1.00 0.00 C ATOM 38 CD LYS A 3 -19.468 -8.122 -7.632 1.00 0.00 C ATOM 39 CE LYS A 3 -18.639 -8.962 -8.607 1.00 0.00 C ATOM 40 NZ LYS A 3 -18.401 -10.312 -8.021 1.00 0.00 N ATOM 0 H LYS A 3 -18.809 -4.527 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.568 -6.431 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.596 -5.580 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.205 -6.542 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.816 -8.293 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.142 -7.312 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.250 -8.734 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.965 -7.312 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.161 -9.054 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.688 -8.469 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.478 -10.671 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.407 -10.246 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.151 -10.962 -8.331 1.00 0.00 H new ATOM 54 N GLY A 4 -15.926 -3.497 -6.126 1.00 0.00 N ATOM 55 CA GLY A 4 -14.899 -2.559 -6.668 1.00 0.00 C ATOM 56 C GLY A 4 -15.322 -1.115 -6.384 1.00 0.00 C ATOM 57 O GLY A 4 -16.411 -0.700 -6.732 1.00 0.00 O ATOM 0 H GLY A 4 -16.562 -3.092 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.930 -2.761 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.784 -2.711 -7.741 1.00 0.00 H new ATOM 61 N GLY A 5 -14.466 -0.347 -5.756 1.00 0.00 N ATOM 62 CA GLY A 5 -14.810 1.075 -5.446 1.00 0.00 C ATOM 63 C GLY A 5 -14.080 2.002 -6.423 1.00 0.00 C ATOM 64 O GLY A 5 -14.693 2.759 -7.150 1.00 0.00 O ATOM 0 H GLY A 5 -13.542 -0.645 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.887 1.225 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.527 1.314 -4.421 1.00 0.00 H new ATOM 68 N GLU A 6 -12.774 1.944 -6.444 1.00 0.00 N ATOM 69 CA GLU A 6 -11.986 2.808 -7.368 1.00 0.00 C ATOM 70 C GLU A 6 -10.610 2.179 -7.527 1.00 0.00 C ATOM 71 O GLU A 6 -9.593 2.762 -7.200 1.00 0.00 O ATOM 72 CB GLU A 6 -11.868 4.228 -6.792 1.00 0.00 C ATOM 73 CG GLU A 6 -12.150 5.256 -7.893 1.00 0.00 C ATOM 74 CD GLU A 6 -13.661 5.391 -8.094 1.00 0.00 C ATOM 75 OE1 GLU A 6 -14.295 6.029 -7.269 1.00 0.00 O ATOM 76 OE2 GLU A 6 -14.160 4.854 -9.070 1.00 0.00 O ATOM 0 H GLU A 6 -12.215 1.328 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.479 2.883 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.573 4.358 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.870 4.383 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.721 6.221 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.675 4.946 -8.824 1.00 0.00 H new ATOM 83 N ALA A 7 -10.593 0.960 -7.992 1.00 0.00 N ATOM 84 CA ALA A 7 -9.320 0.214 -8.151 1.00 0.00 C ATOM 85 C ALA A 7 -8.918 -0.300 -6.772 1.00 0.00 C ATOM 86 O ALA A 7 -9.201 -1.428 -6.421 1.00 0.00 O ATOM 87 CB ALA A 7 -8.223 1.115 -8.737 1.00 0.00 C ATOM 0 H ALA A 7 -11.426 0.443 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.452 -0.616 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.301 0.544 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.537 1.482 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.051 1.960 -8.070 1.00 0.00 H new ATOM 93 N LEU A 8 -8.306 0.527 -5.969 1.00 0.00 N ATOM 94 CA LEU A 8 -7.930 0.103 -4.592 1.00 0.00 C ATOM 95 C LEU A 8 -8.250 1.259 -3.644 1.00 0.00 C ATOM 96 O LEU A 8 -7.602 1.448 -2.632 1.00 0.00 O ATOM 97 CB LEU A 8 -6.434 -0.248 -4.523 1.00 0.00 C ATOM 98 CG LEU A 8 -5.599 0.757 -5.326 1.00 0.00 C ATOM 99 CD1 LEU A 8 -5.420 2.044 -4.517 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.225 0.146 -5.623 1.00 0.00 C ATOM 0 H LEU A 8 -8.049 1.484 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.490 -0.788 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.105 -0.252 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.274 -1.253 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.110 0.989 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.826 2.755 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.397 2.477 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.909 1.817 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.627 0.856 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.719 -0.084 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.351 -0.769 -6.201 1.00 0.00 H new ATOM 112 N LYS A 9 -9.257 2.038 -3.971 1.00 0.00 N ATOM 113 CA LYS A 9 -9.630 3.186 -3.097 1.00 0.00 C ATOM 114 C LYS A 9 -10.569 2.697 -1.989 1.00 0.00 C ATOM 115 O LYS A 9 -10.928 1.536 -1.940 1.00 0.00 O ATOM 116 CB LYS A 9 -10.329 4.258 -3.939 1.00 0.00 C ATOM 117 CG LYS A 9 -10.414 5.571 -3.153 1.00 0.00 C ATOM 118 CD LYS A 9 -10.509 6.749 -4.127 1.00 0.00 C ATOM 119 CE LYS A 9 -11.976 7.010 -4.474 1.00 0.00 C ATOM 120 NZ LYS A 9 -12.623 7.759 -3.361 1.00 0.00 N ATOM 0 H LYS A 9 -9.833 1.924 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.734 3.612 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.782 4.416 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.330 3.923 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.284 5.558 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.536 5.683 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.066 7.640 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.943 6.531 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.046 7.581 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.495 6.066 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.616 7.462 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.123 7.559 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.582 8.779 -3.559 1.00 0.00 H new ATOM 134 N GLY A 10 -10.971 3.570 -1.100 1.00 0.00 N ATOM 135 CA GLY A 10 -11.888 3.154 0.002 1.00 0.00 C ATOM 136 C GLY A 10 -11.106 2.369 1.058 1.00 0.00 C ATOM 137 O GLY A 10 -11.614 2.069 2.120 1.00 0.00 O ATOM 0 H GLY A 10 -10.703 4.554 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.349 4.032 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.696 2.540 -0.397 1.00 0.00 H new ATOM 141 N LEU A 11 -9.876 2.032 0.770 1.00 0.00 N ATOM 142 CA LEU A 11 -9.054 1.262 1.748 1.00 0.00 C ATOM 143 C LEU A 11 -7.953 2.158 2.312 1.00 0.00 C ATOM 144 O LEU A 11 -7.525 3.109 1.687 1.00 0.00 O ATOM 145 CB LEU A 11 -8.414 0.059 1.044 1.00 0.00 C ATOM 146 CG LEU A 11 -9.504 -0.904 0.561 1.00 0.00 C ATOM 147 CD1 LEU A 11 -8.904 -1.886 -0.449 1.00 0.00 C ATOM 148 CD2 LEU A 11 -10.071 -1.683 1.754 1.00 0.00 C ATOM 0 H LEU A 11 -9.404 2.259 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.693 0.915 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.815 0.398 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.738 -0.456 1.727 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.304 -0.335 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.678 -2.572 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.503 -1.334 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.103 -2.452 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.846 -2.367 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.272 -2.251 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.499 -0.985 2.474 1.00 0.00 H new ATOM 160 N THR A 12 -7.492 1.846 3.493 1.00 0.00 N ATOM 161 CA THR A 12 -6.413 2.653 4.124 1.00 0.00 C ATOM 162 C THR A 12 -5.105 1.861 4.058 1.00 0.00 C ATOM 163 O THR A 12 -5.042 0.718 4.467 1.00 0.00 O ATOM 164 CB THR A 12 -6.785 2.933 5.584 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.805 3.922 5.624 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.559 3.433 6.354 1.00 0.00 C ATOM 0 H THR A 12 -7.821 1.059 4.051 1.00 0.00 H new ATOM 0 HA THR A 12 -6.291 3.601 3.599 1.00 0.00 H new ATOM 0 HB THR A 12 -7.142 2.013 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.048 4.104 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.835 3.629 7.390 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.776 2.675 6.324 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.192 4.352 5.897 1.00 0.00 H new ATOM 174 N PHE A 13 -4.063 2.465 3.552 1.00 0.00 N ATOM 175 CA PHE A 13 -2.747 1.764 3.457 1.00 0.00 C ATOM 176 C PHE A 13 -1.782 2.422 4.448 1.00 0.00 C ATOM 177 O PHE A 13 -1.579 3.620 4.419 1.00 0.00 O ATOM 178 CB PHE A 13 -2.201 1.895 2.026 1.00 0.00 C ATOM 179 CG PHE A 13 -2.756 0.796 1.134 1.00 0.00 C ATOM 180 CD1 PHE A 13 -3.987 0.185 1.426 1.00 0.00 C ATOM 181 CD2 PHE A 13 -2.035 0.389 0.004 1.00 0.00 C ATOM 182 CE1 PHE A 13 -4.487 -0.825 0.596 1.00 0.00 C ATOM 183 CE2 PHE A 13 -2.538 -0.623 -0.826 1.00 0.00 C ATOM 184 CZ PHE A 13 -3.763 -1.228 -0.530 1.00 0.00 C ATOM 0 H PHE A 13 -4.066 3.421 3.197 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.859 0.706 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.467 2.870 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.112 1.842 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.549 0.496 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.089 0.856 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.433 -1.293 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.978 -0.936 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.150 -2.006 -1.171 1.00 0.00 H new ATOM 194 N VAL A 14 -1.206 1.654 5.338 1.00 0.00 N ATOM 195 CA VAL A 14 -0.276 2.246 6.347 1.00 0.00 C ATOM 196 C VAL A 14 1.140 1.699 6.150 1.00 0.00 C ATOM 197 O VAL A 14 1.338 0.552 5.803 1.00 0.00 O ATOM 198 CB VAL A 14 -0.765 1.894 7.760 1.00 0.00 C ATOM 199 CG1 VAL A 14 0.038 2.678 8.800 1.00 0.00 C ATOM 200 CG2 VAL A 14 -2.252 2.245 7.900 1.00 0.00 C ATOM 0 H VAL A 14 -1.339 0.645 5.410 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.259 3.328 6.219 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.626 0.825 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.314 2.423 9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.094 2.423 8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.093 3.747 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.592 1.993 8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.392 3.312 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.830 1.680 7.169 1.00 0.00 H new ATOM 210 N ILE A 15 2.123 2.524 6.389 1.00 0.00 N ATOM 211 CA ILE A 15 3.545 2.093 6.246 1.00 0.00 C ATOM 212 C ILE A 15 4.188 2.138 7.629 1.00 0.00 C ATOM 213 O ILE A 15 4.183 3.168 8.273 1.00 0.00 O ATOM 214 CB ILE A 15 4.269 3.075 5.318 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.515 3.168 3.986 1.00 0.00 C ATOM 216 CG2 ILE A 15 5.704 2.606 5.068 1.00 0.00 C ATOM 217 CD1 ILE A 15 2.674 4.448 3.964 1.00 0.00 C ATOM 0 H ILE A 15 2.000 3.493 6.682 1.00 0.00 H new ATOM 0 HA ILE A 15 3.607 1.087 5.830 1.00 0.00 H new ATOM 0 HB ILE A 15 4.298 4.057 5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.221 3.170 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.873 2.296 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.208 3.312 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.239 2.551 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.689 1.621 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.138 4.515 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.958 4.427 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.327 5.314 4.073 1.00 0.00 H new ATOM 229 N THR A 16 4.729 1.045 8.113 1.00 0.00 N ATOM 230 CA THR A 16 5.347 1.072 9.469 1.00 0.00 C ATOM 231 C THR A 16 6.538 2.031 9.441 1.00 0.00 C ATOM 232 O THR A 16 7.651 1.640 9.152 1.00 0.00 O ATOM 233 CB THR A 16 5.795 -0.353 9.835 1.00 0.00 C ATOM 234 OG1 THR A 16 4.699 -1.052 10.408 1.00 0.00 O ATOM 235 CG2 THR A 16 6.946 -0.304 10.841 1.00 0.00 C ATOM 0 H THR A 16 4.768 0.147 7.631 1.00 0.00 H new ATOM 0 HA THR A 16 4.635 1.417 10.219 1.00 0.00 H new ATOM 0 HB THR A 16 6.135 -0.864 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.978 -1.962 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.254 -1.319 11.092 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.788 0.233 10.404 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.618 0.209 11.745 1.00 0.00 H new ATOM 243 N GLY A 17 6.301 3.294 9.710 1.00 0.00 N ATOM 244 CA GLY A 17 7.408 4.293 9.662 1.00 0.00 C ATOM 245 C GLY A 17 7.903 4.359 8.220 1.00 0.00 C ATOM 246 O GLY A 17 7.636 5.297 7.494 1.00 0.00 O ATOM 0 H GLY A 17 5.388 3.673 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.057 5.271 9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.217 4.002 10.332 1.00 0.00 H new ATOM 250 N GLU A 18 8.592 3.338 7.803 1.00 0.00 N ATOM 251 CA GLU A 18 9.092 3.268 6.410 1.00 0.00 C ATOM 252 C GLU A 18 9.423 1.810 6.098 1.00 0.00 C ATOM 253 O GLU A 18 10.440 1.294 6.520 1.00 0.00 O ATOM 254 CB GLU A 18 10.342 4.145 6.246 1.00 0.00 C ATOM 255 CG GLU A 18 11.160 4.147 7.544 1.00 0.00 C ATOM 256 CD GLU A 18 12.575 4.656 7.256 1.00 0.00 C ATOM 257 OE1 GLU A 18 12.764 5.862 7.267 1.00 0.00 O ATOM 258 OE2 GLU A 18 13.445 3.832 7.032 1.00 0.00 O ATOM 0 H GLU A 18 8.833 2.534 8.382 1.00 0.00 H new ATOM 0 HA GLU A 18 8.332 3.637 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.952 3.772 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.050 5.163 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.679 4.781 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.202 3.141 7.961 1.00 0.00 H new ATOM 265 N LEU A 19 8.561 1.131 5.377 1.00 0.00 N ATOM 266 CA LEU A 19 8.824 -0.301 5.057 1.00 0.00 C ATOM 267 C LEU A 19 10.164 -0.419 4.307 1.00 0.00 C ATOM 268 O LEU A 19 10.839 0.565 4.069 1.00 0.00 O ATOM 269 CB LEU A 19 7.697 -0.864 4.180 1.00 0.00 C ATOM 270 CG LEU A 19 6.351 -0.799 4.918 1.00 0.00 C ATOM 271 CD1 LEU A 19 5.342 -1.710 4.216 1.00 0.00 C ATOM 272 CD2 LEU A 19 6.524 -1.255 6.371 1.00 0.00 C ATOM 0 H LEU A 19 7.692 1.508 5.000 1.00 0.00 H new ATOM 0 HA LEU A 19 8.869 -0.870 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.635 -0.298 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.920 -1.896 3.911 1.00 0.00 H new ATOM 0 HG LEU A 19 5.989 0.229 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.386 -1.665 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.208 -1.379 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.711 -2.735 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.564 -1.205 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.892 -2.281 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.239 -0.604 6.874 1.00 0.00 H new ATOM 284 N SER A 20 10.554 -1.612 3.935 1.00 0.00 N ATOM 285 CA SER A 20 11.852 -1.788 3.206 1.00 0.00 C ATOM 286 C SER A 20 11.761 -1.178 1.798 1.00 0.00 C ATOM 287 O SER A 20 12.749 -1.084 1.094 1.00 0.00 O ATOM 288 CB SER A 20 12.172 -3.282 3.095 1.00 0.00 C ATOM 289 OG SER A 20 13.034 -3.509 1.988 1.00 0.00 O ATOM 0 H SER A 20 10.032 -2.472 4.103 1.00 0.00 H new ATOM 0 HA SER A 20 12.642 -1.280 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.645 -3.631 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.251 -3.852 2.974 1.00 0.00 H new ATOM 0 HG SER A 20 13.393 -2.654 1.672 1.00 0.00 H new ATOM 295 N ARG A 21 10.592 -0.758 1.386 1.00 0.00 N ATOM 296 CA ARG A 21 10.445 -0.152 0.026 1.00 0.00 C ATOM 297 C ARG A 21 10.406 1.376 0.153 1.00 0.00 C ATOM 298 O ARG A 21 10.312 1.905 1.244 1.00 0.00 O ATOM 299 CB ARG A 21 9.145 -0.654 -0.615 1.00 0.00 C ATOM 300 CG ARG A 21 9.475 -1.580 -1.791 1.00 0.00 C ATOM 301 CD ARG A 21 8.287 -1.637 -2.755 1.00 0.00 C ATOM 302 NE ARG A 21 8.533 -2.693 -3.778 1.00 0.00 N ATOM 303 CZ ARG A 21 9.058 -2.381 -4.934 1.00 0.00 C ATOM 304 NH1 ARG A 21 9.940 -1.422 -5.016 1.00 0.00 N ATOM 305 NH2 ARG A 21 8.699 -3.029 -6.007 1.00 0.00 N ATOM 0 H ARG A 21 9.732 -0.808 1.932 1.00 0.00 H new ATOM 0 HA ARG A 21 11.290 -0.440 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.546 -1.187 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.548 0.190 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.361 -1.219 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.706 -2.580 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.369 -1.852 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.150 -0.670 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 21 8.291 -3.663 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.221 -0.914 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.348 -1.180 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.010 -3.778 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.108 -2.787 -6.910 1.00 0.00 H new ATOM 319 N PRO A 22 10.475 2.081 -0.955 1.00 0.00 N ATOM 320 CA PRO A 22 10.445 3.573 -0.961 1.00 0.00 C ATOM 321 C PRO A 22 9.051 4.111 -0.607 1.00 0.00 C ATOM 322 O PRO A 22 8.388 4.738 -1.409 1.00 0.00 O ATOM 323 CB PRO A 22 10.840 3.947 -2.393 1.00 0.00 C ATOM 324 CG PRO A 22 10.473 2.764 -3.226 1.00 0.00 C ATOM 325 CD PRO A 22 10.591 1.535 -2.321 1.00 0.00 C ATOM 0 HA PRO A 22 11.115 4.004 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.312 4.841 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.906 4.162 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.459 2.863 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.136 2.676 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.804 0.810 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.542 1.023 -2.466 1.00 0.00 H new ATOM 333 N ARG A 23 8.606 3.815 0.588 1.00 0.00 N ATOM 334 CA ARG A 23 7.246 4.239 1.053 1.00 0.00 C ATOM 335 C ARG A 23 6.932 5.686 0.644 1.00 0.00 C ATOM 336 O ARG A 23 5.790 6.084 0.610 1.00 0.00 O ATOM 337 CB ARG A 23 7.186 4.123 2.579 1.00 0.00 C ATOM 338 CG ARG A 23 8.111 5.168 3.219 1.00 0.00 C ATOM 339 CD ARG A 23 7.278 6.339 3.752 1.00 0.00 C ATOM 340 NE ARG A 23 8.032 7.613 3.568 1.00 0.00 N ATOM 341 CZ ARG A 23 8.108 8.478 4.543 1.00 0.00 C ATOM 342 NH1 ARG A 23 8.801 8.194 5.613 1.00 0.00 N ATOM 343 NH2 ARG A 23 7.492 9.624 4.450 1.00 0.00 N ATOM 0 H ARG A 23 9.139 3.285 1.278 1.00 0.00 H new ATOM 0 HA ARG A 23 6.506 3.589 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.163 4.271 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.485 3.122 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.680 4.715 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.833 5.527 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.325 6.390 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.052 6.187 4.808 1.00 0.00 H new ATOM 0 HE ARG A 23 8.490 7.809 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.282 7.297 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.861 8.869 6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.950 9.845 3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.552 10.299 5.213 1.00 0.00 H new ATOM 357 N GLU A 24 7.921 6.466 0.301 1.00 0.00 N ATOM 358 CA GLU A 24 7.643 7.867 -0.133 1.00 0.00 C ATOM 359 C GLU A 24 7.219 7.843 -1.606 1.00 0.00 C ATOM 360 O GLU A 24 6.173 8.336 -1.979 1.00 0.00 O ATOM 361 CB GLU A 24 8.913 8.712 0.035 1.00 0.00 C ATOM 362 CG GLU A 24 8.679 10.127 -0.506 1.00 0.00 C ATOM 363 CD GLU A 24 7.488 10.766 0.215 1.00 0.00 C ATOM 364 OE1 GLU A 24 7.666 11.203 1.340 1.00 0.00 O ATOM 365 OE2 GLU A 24 6.418 10.806 -0.371 1.00 0.00 O ATOM 0 H GLU A 24 8.905 6.197 0.302 1.00 0.00 H new ATOM 0 HA GLU A 24 6.848 8.302 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.192 8.758 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.743 8.244 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.572 10.734 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.489 10.090 -1.579 1.00 0.00 H new ATOM 372 N GLU A 25 8.049 7.266 -2.433 1.00 0.00 N ATOM 373 CA GLU A 25 7.743 7.185 -3.892 1.00 0.00 C ATOM 374 C GLU A 25 6.416 6.447 -4.108 1.00 0.00 C ATOM 375 O GLU A 25 5.520 6.944 -4.766 1.00 0.00 O ATOM 376 CB GLU A 25 8.867 6.432 -4.610 1.00 0.00 C ATOM 377 CG GLU A 25 10.186 7.197 -4.454 1.00 0.00 C ATOM 378 CD GLU A 25 10.109 8.518 -5.226 1.00 0.00 C ATOM 379 OE1 GLU A 25 10.231 8.479 -6.439 1.00 0.00 O ATOM 380 OE2 GLU A 25 9.927 9.543 -4.590 1.00 0.00 O ATOM 0 H GLU A 25 8.935 6.843 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 25 7.662 8.194 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.967 5.428 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.624 6.319 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.383 7.391 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.014 6.594 -4.827 1.00 0.00 H new ATOM 387 N VAL A 26 6.287 5.260 -3.573 1.00 0.00 N ATOM 388 CA VAL A 26 5.023 4.484 -3.761 1.00 0.00 C ATOM 389 C VAL A 26 3.829 5.256 -3.190 1.00 0.00 C ATOM 390 O VAL A 26 2.746 5.209 -3.735 1.00 0.00 O ATOM 391 CB VAL A 26 5.139 3.122 -3.060 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.351 3.323 -1.558 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.853 2.318 -3.286 1.00 0.00 C ATOM 0 H VAL A 26 7.002 4.794 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 26 4.865 4.332 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 26 5.990 2.581 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.432 2.352 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.267 3.890 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.505 3.870 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.936 1.352 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.005 2.866 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.703 2.164 -4.355 1.00 0.00 H new ATOM 403 N LYS A 27 4.006 5.955 -2.097 1.00 0.00 N ATOM 404 CA LYS A 27 2.858 6.709 -1.508 1.00 0.00 C ATOM 405 C LYS A 27 2.397 7.805 -2.471 1.00 0.00 C ATOM 406 O LYS A 27 1.230 8.140 -2.523 1.00 0.00 O ATOM 407 CB LYS A 27 3.273 7.336 -0.175 1.00 0.00 C ATOM 408 CG LYS A 27 3.167 6.284 0.935 1.00 0.00 C ATOM 409 CD LYS A 27 1.692 5.996 1.245 1.00 0.00 C ATOM 410 CE LYS A 27 1.322 4.572 0.801 1.00 0.00 C ATOM 411 NZ LYS A 27 2.427 3.629 1.137 1.00 0.00 N ATOM 0 H LYS A 27 4.888 6.036 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 27 2.034 6.016 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.294 7.712 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.633 8.188 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.668 5.366 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.674 6.638 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.509 6.110 2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.058 6.720 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.402 4.257 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.132 4.555 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.769 3.171 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.207 4.153 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.077 2.904 1.796 1.00 0.00 H new ATOM 425 N ALA A 28 3.297 8.356 -3.242 1.00 0.00 N ATOM 426 CA ALA A 28 2.898 9.419 -4.209 1.00 0.00 C ATOM 427 C ALA A 28 2.072 8.778 -5.328 1.00 0.00 C ATOM 428 O ALA A 28 1.154 9.372 -5.859 1.00 0.00 O ATOM 429 CB ALA A 28 4.150 10.073 -4.798 1.00 0.00 C ATOM 0 H ALA A 28 4.288 8.116 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 28 2.306 10.182 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.857 10.850 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.741 10.516 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.746 9.320 -5.314 1.00 0.00 H new ATOM 435 N LEU A 29 2.393 7.559 -5.673 1.00 0.00 N ATOM 436 CA LEU A 29 1.632 6.847 -6.743 1.00 0.00 C ATOM 437 C LEU A 29 0.452 6.102 -6.111 1.00 0.00 C ATOM 438 O LEU A 29 -0.532 5.805 -6.762 1.00 0.00 O ATOM 439 CB LEU A 29 2.558 5.844 -7.440 1.00 0.00 C ATOM 440 CG LEU A 29 2.166 5.715 -8.917 1.00 0.00 C ATOM 441 CD1 LEU A 29 2.483 7.020 -9.657 1.00 0.00 C ATOM 442 CD2 LEU A 29 2.958 4.568 -9.550 1.00 0.00 C ATOM 0 H LEU A 29 3.154 7.022 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 29 1.260 7.566 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.594 6.173 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.491 4.872 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 29 1.098 5.512 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.202 6.921 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.922 7.839 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.550 7.229 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.683 4.472 -10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.025 4.776 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.731 3.638 -9.029 1.00 0.00 H new ATOM 454 N LEU A 30 0.553 5.802 -4.844 1.00 0.00 N ATOM 455 CA LEU A 30 -0.546 5.075 -4.143 1.00 0.00 C ATOM 456 C LEU A 30 -1.661 6.064 -3.791 1.00 0.00 C ATOM 457 O LEU A 30 -2.821 5.820 -4.062 1.00 0.00 O ATOM 458 CB LEU A 30 0.011 4.427 -2.866 1.00 0.00 C ATOM 459 CG LEU A 30 -1.075 3.617 -2.138 1.00 0.00 C ATOM 460 CD1 LEU A 30 -1.981 4.562 -1.342 1.00 0.00 C ATOM 461 CD2 LEU A 30 -1.916 2.828 -3.151 1.00 0.00 C ATOM 0 H LEU A 30 1.357 6.031 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.952 4.297 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.847 3.775 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.400 5.199 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.593 2.917 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.749 3.983 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.385 5.106 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.455 5.270 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.681 2.259 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.393 3.520 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.272 2.144 -3.704 1.00 0.00 H new ATOM 473 N ARG A 31 -1.321 7.181 -3.201 1.00 0.00 N ATOM 474 CA ARG A 31 -2.368 8.185 -2.846 1.00 0.00 C ATOM 475 C ARG A 31 -3.037 8.663 -4.132 1.00 0.00 C ATOM 476 O ARG A 31 -4.245 8.762 -4.216 1.00 0.00 O ATOM 477 CB ARG A 31 -1.726 9.373 -2.120 1.00 0.00 C ATOM 478 CG ARG A 31 -2.800 10.147 -1.349 1.00 0.00 C ATOM 479 CD ARG A 31 -2.321 11.581 -1.098 1.00 0.00 C ATOM 480 NE ARG A 31 -1.128 11.559 -0.205 1.00 0.00 N ATOM 481 CZ ARG A 31 -0.756 12.646 0.412 1.00 0.00 C ATOM 482 NH1 ARG A 31 -1.265 12.942 1.576 1.00 0.00 N ATOM 483 NH2 ARG A 31 0.124 13.439 -0.136 1.00 0.00 N ATOM 0 H ARG A 31 -0.367 7.441 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.109 7.733 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.956 9.020 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.236 10.030 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.731 10.158 -1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.009 9.652 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.072 12.063 -2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.119 12.167 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.603 10.694 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.954 12.323 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.974 13.792 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.521 13.209 -1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.415 14.289 0.347 1.00 0.00 H new ATOM 497 N ARG A 32 -2.248 8.938 -5.137 1.00 0.00 N ATOM 498 CA ARG A 32 -2.822 9.380 -6.442 1.00 0.00 C ATOM 499 C ARG A 32 -3.917 8.380 -6.830 1.00 0.00 C ATOM 500 O ARG A 32 -4.858 8.699 -7.529 1.00 0.00 O ATOM 501 CB ARG A 32 -1.727 9.389 -7.515 1.00 0.00 C ATOM 502 CG ARG A 32 -1.089 10.779 -7.590 1.00 0.00 C ATOM 503 CD ARG A 32 -0.032 10.801 -8.699 1.00 0.00 C ATOM 504 NE ARG A 32 0.562 12.165 -8.794 1.00 0.00 N ATOM 505 CZ ARG A 32 0.077 13.032 -9.642 1.00 0.00 C ATOM 506 NH1 ARG A 32 -1.032 13.663 -9.366 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.701 13.269 -10.762 1.00 0.00 N ATOM 0 H ARG A 32 -1.230 8.876 -5.111 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.232 10.386 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.968 8.642 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.150 9.120 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.853 11.531 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.632 11.032 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.747 10.068 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.483 10.522 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 32 1.348 12.421 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.519 13.479 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.412 14.340 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.568 12.777 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.322 13.946 -11.424 1.00 0.00 H new ATOM 521 N LEU A 33 -3.777 7.167 -6.361 1.00 0.00 N ATOM 522 CA LEU A 33 -4.767 6.092 -6.655 1.00 0.00 C ATOM 523 C LEU A 33 -5.796 6.005 -5.524 1.00 0.00 C ATOM 524 O LEU A 33 -6.320 4.946 -5.233 1.00 0.00 O ATOM 525 CB LEU A 33 -4.013 4.766 -6.740 1.00 0.00 C ATOM 526 CG LEU A 33 -4.730 3.808 -7.695 1.00 0.00 C ATOM 527 CD1 LEU A 33 -4.874 4.455 -9.077 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.910 2.523 -7.821 1.00 0.00 C ATOM 0 H LEU A 33 -2.998 6.872 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.283 6.308 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.994 4.941 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.941 4.317 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.721 3.582 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.385 3.766 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.453 5.374 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.886 4.685 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.414 1.835 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.921 2.760 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.810 2.057 -6.840 1.00 0.00 H new ATOM 540 N GLY A 34 -6.075 7.096 -4.870 1.00 0.00 N ATOM 541 CA GLY A 34 -7.050 7.058 -3.749 1.00 0.00 C ATOM 542 C GLY A 34 -6.371 6.414 -2.542 1.00 0.00 C ATOM 543 O GLY A 34 -5.408 6.940 -2.024 1.00 0.00 O ATOM 0 H GLY A 34 -5.670 8.012 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.385 8.066 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.935 6.489 -4.035 1.00 0.00 H new ATOM 547 N ALA A 35 -6.858 5.274 -2.112 1.00 0.00 N ATOM 548 CA ALA A 35 -6.257 4.549 -0.942 1.00 0.00 C ATOM 549 C ALA A 35 -5.673 5.525 0.091 1.00 0.00 C ATOM 550 O ALA A 35 -4.539 5.954 -0.016 1.00 0.00 O ATOM 551 CB ALA A 35 -5.158 3.606 -1.441 1.00 0.00 C ATOM 0 H ALA A 35 -7.662 4.805 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.047 3.980 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.719 3.078 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.586 2.884 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.385 4.184 -1.948 1.00 0.00 H new ATOM 557 N LYS A 36 -6.434 5.854 1.109 1.00 0.00 N ATOM 558 CA LYS A 36 -5.925 6.779 2.167 1.00 0.00 C ATOM 559 C LYS A 36 -4.550 6.288 2.627 1.00 0.00 C ATOM 560 O LYS A 36 -4.294 5.100 2.655 1.00 0.00 O ATOM 561 CB LYS A 36 -6.894 6.772 3.355 1.00 0.00 C ATOM 562 CG LYS A 36 -8.199 7.478 2.968 1.00 0.00 C ATOM 563 CD LYS A 36 -9.214 7.347 4.112 1.00 0.00 C ATOM 564 CE LYS A 36 -9.029 8.498 5.105 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.575 9.755 4.517 1.00 0.00 N ATOM 0 H LYS A 36 -7.387 5.520 1.251 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.845 7.792 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.102 5.746 3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.439 7.273 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.007 8.530 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.605 7.040 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.228 7.358 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.082 6.392 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.539 8.270 6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.972 8.623 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.796 10.427 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.869 10.175 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.441 9.541 3.982 1.00 0.00 H new ATOM 579 N VAL A 37 -3.654 7.180 2.974 1.00 0.00 N ATOM 580 CA VAL A 37 -2.297 6.733 3.411 1.00 0.00 C ATOM 581 C VAL A 37 -2.051 7.124 4.873 1.00 0.00 C ATOM 582 O VAL A 37 -2.530 8.136 5.346 1.00 0.00 O ATOM 583 CB VAL A 37 -1.232 7.389 2.521 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.471 6.997 1.061 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.309 8.915 2.654 1.00 0.00 C ATOM 0 H VAL A 37 -3.803 8.189 2.973 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.237 5.648 3.321 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.246 7.048 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.714 7.464 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.409 5.913 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.460 7.335 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.551 9.374 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.296 9.258 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.135 9.199 3.692 1.00 0.00 H new ATOM 595 N THR A 38 -1.296 6.324 5.585 1.00 0.00 N ATOM 596 CA THR A 38 -0.992 6.629 7.017 1.00 0.00 C ATOM 597 C THR A 38 0.278 5.873 7.425 1.00 0.00 C ATOM 598 O THR A 38 0.897 5.212 6.615 1.00 0.00 O ATOM 599 CB THR A 38 -2.159 6.179 7.911 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.369 6.193 7.165 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.286 7.124 9.112 1.00 0.00 C ATOM 0 H THR A 38 -0.874 5.465 5.232 1.00 0.00 H new ATOM 0 HA THR A 38 -0.847 7.703 7.136 1.00 0.00 H new ATOM 0 HB THR A 38 -1.966 5.167 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.110 5.904 7.738 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.114 6.801 9.743 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.362 7.105 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.473 8.138 8.759 1.00 0.00 H new ATOM 609 N ASP A 39 0.671 5.960 8.670 1.00 0.00 N ATOM 610 CA ASP A 39 1.902 5.236 9.116 1.00 0.00 C ATOM 611 C ASP A 39 1.775 4.828 10.591 1.00 0.00 C ATOM 612 O ASP A 39 2.703 4.299 11.173 1.00 0.00 O ATOM 613 CB ASP A 39 3.124 6.144 8.936 1.00 0.00 C ATOM 614 CG ASP A 39 3.096 7.260 9.985 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.357 8.210 9.790 1.00 0.00 O ATOM 616 OD2 ASP A 39 3.811 7.142 10.966 1.00 0.00 O ATOM 0 H ASP A 39 0.196 6.498 9.395 1.00 0.00 H new ATOM 0 HA ASP A 39 2.022 4.337 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.040 5.561 9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.126 6.573 7.934 1.00 0.00 H new ATOM 621 N SER A 40 0.641 5.067 11.200 1.00 0.00 N ATOM 622 CA SER A 40 0.459 4.693 12.634 1.00 0.00 C ATOM 623 C SER A 40 -0.863 3.939 12.798 1.00 0.00 C ATOM 624 O SER A 40 -1.675 3.890 11.893 1.00 0.00 O ATOM 625 CB SER A 40 0.431 5.959 13.492 1.00 0.00 C ATOM 626 OG SER A 40 1.562 6.764 13.178 1.00 0.00 O ATOM 0 H SER A 40 -0.169 5.507 10.763 1.00 0.00 H new ATOM 0 HA SER A 40 1.285 4.057 12.952 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.488 6.516 13.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.440 5.696 14.550 1.00 0.00 H new ATOM 0 HG SER A 40 1.547 7.577 13.725 1.00 0.00 H new ATOM 632 N VAL A 41 -1.085 3.353 13.947 1.00 0.00 N ATOM 633 CA VAL A 41 -2.355 2.601 14.177 1.00 0.00 C ATOM 634 C VAL A 41 -2.901 2.929 15.569 1.00 0.00 C ATOM 635 O VAL A 41 -2.156 3.171 16.499 1.00 0.00 O ATOM 636 CB VAL A 41 -2.093 1.094 14.071 1.00 0.00 C ATOM 637 CG1 VAL A 41 -1.706 0.740 12.633 1.00 0.00 C ATOM 638 CG2 VAL A 41 -0.954 0.696 15.017 1.00 0.00 C ATOM 0 H VAL A 41 -0.440 3.363 14.737 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.086 2.893 13.422 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.998 0.554 14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.520 -0.332 12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.518 1.014 11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.804 1.285 12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.773 -0.376 14.937 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.049 1.239 14.745 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.230 0.942 16.042 1.00 0.00 H new ATOM 648 N SER A 42 -4.201 2.943 15.713 1.00 0.00 N ATOM 649 CA SER A 42 -4.810 3.255 17.038 1.00 0.00 C ATOM 650 C SER A 42 -6.098 2.448 17.205 1.00 0.00 C ATOM 651 O SER A 42 -6.388 1.941 18.271 1.00 0.00 O ATOM 652 CB SER A 42 -5.133 4.750 17.111 1.00 0.00 C ATOM 653 OG SER A 42 -3.925 5.496 17.036 1.00 0.00 O ATOM 0 H SER A 42 -4.869 2.751 14.966 1.00 0.00 H new ATOM 0 HA SER A 42 -4.110 2.995 17.832 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.798 5.030 16.294 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.656 4.976 18.040 1.00 0.00 H new ATOM 0 HG SER A 42 -4.129 6.454 17.081 1.00 0.00 H new ATOM 659 N ARG A 43 -6.870 2.327 16.155 1.00 0.00 N ATOM 660 CA ARG A 43 -8.147 1.557 16.230 1.00 0.00 C ATOM 661 C ARG A 43 -8.799 1.561 14.846 1.00 0.00 C ATOM 662 O ARG A 43 -8.878 0.547 14.179 1.00 0.00 O ATOM 663 CB ARG A 43 -9.090 2.221 17.244 1.00 0.00 C ATOM 664 CG ARG A 43 -10.459 1.533 17.219 1.00 0.00 C ATOM 665 CD ARG A 43 -11.462 2.364 18.025 1.00 0.00 C ATOM 666 NE ARG A 43 -12.028 3.439 17.160 1.00 0.00 N ATOM 667 CZ ARG A 43 -12.584 4.491 17.700 1.00 0.00 C ATOM 668 NH1 ARG A 43 -13.418 4.351 18.694 1.00 0.00 N ATOM 669 NH2 ARG A 43 -12.304 5.681 17.245 1.00 0.00 N ATOM 0 H ARG A 43 -6.668 2.733 15.241 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.948 0.533 16.547 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.662 2.160 18.245 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.202 3.280 17.009 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.804 1.423 16.191 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.382 0.530 17.638 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.262 1.725 18.399 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.972 2.803 18.894 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.981 3.353 16.145 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.636 3.420 19.050 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.852 5.172 19.115 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.652 5.790 16.468 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.737 6.503 17.666 1.00 0.00 H new ATOM 683 N LYS A 44 -9.265 2.704 14.416 1.00 0.00 N ATOM 684 CA LYS A 44 -9.915 2.803 13.077 1.00 0.00 C ATOM 685 C LYS A 44 -8.854 2.688 11.977 1.00 0.00 C ATOM 686 O LYS A 44 -9.162 2.732 10.801 1.00 0.00 O ATOM 687 CB LYS A 44 -10.630 4.155 12.959 1.00 0.00 C ATOM 688 CG LYS A 44 -9.606 5.293 13.028 1.00 0.00 C ATOM 689 CD LYS A 44 -10.328 6.621 13.277 1.00 0.00 C ATOM 690 CE LYS A 44 -9.333 7.777 13.152 1.00 0.00 C ATOM 691 NZ LYS A 44 -9.920 9.007 13.757 1.00 0.00 N ATOM 0 H LYS A 44 -9.223 3.579 14.939 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.638 1.995 12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.180 4.205 12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.360 4.262 13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.889 5.102 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.041 5.344 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.139 6.746 12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.779 6.621 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.399 7.523 13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.094 7.953 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.244 9.792 13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.800 9.252 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.126 8.835 14.762 1.00 0.00 H new ATOM 705 N THR A 45 -7.607 2.540 12.351 1.00 0.00 N ATOM 706 CA THR A 45 -6.520 2.423 11.333 1.00 0.00 C ATOM 707 C THR A 45 -5.673 1.181 11.632 1.00 0.00 C ATOM 708 O THR A 45 -4.872 1.172 12.547 1.00 0.00 O ATOM 709 CB THR A 45 -5.637 3.675 11.386 1.00 0.00 C ATOM 710 OG1 THR A 45 -6.448 4.831 11.225 1.00 0.00 O ATOM 711 CG2 THR A 45 -4.594 3.623 10.266 1.00 0.00 C ATOM 0 H THR A 45 -7.295 2.495 13.321 1.00 0.00 H new ATOM 0 HA THR A 45 -6.957 2.331 10.339 1.00 0.00 H new ATOM 0 HB THR A 45 -5.127 3.716 12.349 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.886 5.633 11.260 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.969 4.515 10.309 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.971 2.738 10.390 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.098 3.579 9.301 1.00 0.00 H new ATOM 719 N SER A 46 -5.846 0.136 10.863 1.00 0.00 N ATOM 720 CA SER A 46 -5.054 -1.110 11.090 1.00 0.00 C ATOM 721 C SER A 46 -4.884 -1.845 9.756 1.00 0.00 C ATOM 722 O SER A 46 -5.388 -2.933 9.559 1.00 0.00 O ATOM 723 CB SER A 46 -5.780 -2.013 12.093 1.00 0.00 C ATOM 724 OG SER A 46 -6.437 -1.209 13.066 1.00 0.00 O ATOM 0 H SER A 46 -6.504 0.092 10.085 1.00 0.00 H new ATOM 0 HA SER A 46 -4.075 -0.853 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.505 -2.641 11.575 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.069 -2.681 12.578 1.00 0.00 H new ATOM 0 HG SER A 46 -6.903 -1.786 13.707 1.00 0.00 H new ATOM 730 N TYR A 47 -4.171 -1.250 8.841 1.00 0.00 N ATOM 731 CA TYR A 47 -3.945 -1.888 7.511 1.00 0.00 C ATOM 732 C TYR A 47 -2.570 -1.463 7.004 1.00 0.00 C ATOM 733 O TYR A 47 -2.305 -0.290 6.847 1.00 0.00 O ATOM 734 CB TYR A 47 -5.019 -1.413 6.526 1.00 0.00 C ATOM 735 CG TYR A 47 -6.349 -2.031 6.884 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.641 -3.343 6.491 1.00 0.00 C ATOM 737 CD2 TYR A 47 -7.292 -1.288 7.605 1.00 0.00 C ATOM 738 CE1 TYR A 47 -7.876 -3.913 6.822 1.00 0.00 C ATOM 739 CE2 TYR A 47 -8.527 -1.859 7.934 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.819 -3.171 7.543 1.00 0.00 C ATOM 741 OH TYR A 47 -10.037 -3.732 7.866 1.00 0.00 O ATOM 0 H TYR A 47 -3.729 -0.338 8.958 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.997 -2.973 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.094 -0.326 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.741 -1.690 5.509 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.914 -3.915 5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.067 -0.276 7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.101 -4.925 6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.255 -1.287 8.490 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.573 -3.083 8.368 1.00 0.00 H new ATOM 751 N LEU A 48 -1.692 -2.395 6.744 1.00 0.00 N ATOM 752 CA LEU A 48 -0.337 -2.014 6.249 1.00 0.00 C ATOM 753 C LEU A 48 -0.132 -2.555 4.841 1.00 0.00 C ATOM 754 O LEU A 48 -0.384 -3.711 4.558 1.00 0.00 O ATOM 755 CB LEU A 48 0.743 -2.569 7.203 1.00 0.00 C ATOM 756 CG LEU A 48 1.984 -3.062 6.430 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.232 -2.866 7.298 1.00 0.00 C ATOM 758 CD2 LEU A 48 1.829 -4.554 6.105 1.00 0.00 C ATOM 0 H LEU A 48 -1.852 -3.397 6.852 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.254 -0.928 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.038 -1.794 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.327 -3.390 7.786 1.00 0.00 H new ATOM 0 HG LEU A 48 2.083 -2.494 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.111 -3.213 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.347 -1.809 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.127 -3.437 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.706 -4.901 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.731 -5.120 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.939 -4.703 5.493 1.00 0.00 H new ATOM 770 N VAL A 49 0.353 -1.725 3.963 1.00 0.00 N ATOM 771 CA VAL A 49 0.622 -2.177 2.578 1.00 0.00 C ATOM 772 C VAL A 49 2.038 -2.741 2.560 1.00 0.00 C ATOM 773 O VAL A 49 2.980 -2.055 2.897 1.00 0.00 O ATOM 774 CB VAL A 49 0.505 -0.994 1.607 1.00 0.00 C ATOM 775 CG1 VAL A 49 1.502 0.107 1.991 1.00 0.00 C ATOM 776 CG2 VAL A 49 0.801 -1.472 0.182 1.00 0.00 C ATOM 0 H VAL A 49 0.575 -0.747 4.150 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.098 -2.934 2.267 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.507 -0.592 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.409 0.941 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.290 0.454 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.516 -0.290 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.718 -0.632 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.811 -1.880 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.085 -2.244 -0.099 1.00 0.00 H new ATOM 786 N VAL A 50 2.202 -3.991 2.221 1.00 0.00 N ATOM 787 CA VAL A 50 3.570 -4.589 2.242 1.00 0.00 C ATOM 788 C VAL A 50 4.531 -3.717 1.431 1.00 0.00 C ATOM 789 O VAL A 50 4.128 -2.855 0.675 1.00 0.00 O ATOM 790 CB VAL A 50 3.517 -6.002 1.645 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.927 -6.598 1.572 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.640 -6.892 2.532 1.00 0.00 C ATOM 0 H VAL A 50 1.454 -4.621 1.932 1.00 0.00 H new ATOM 0 HA VAL A 50 3.926 -4.644 3.271 1.00 0.00 H new ATOM 0 HB VAL A 50 3.099 -5.948 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.877 -7.600 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.556 -5.968 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.352 -6.650 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.599 -7.897 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.063 -6.935 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.633 -6.478 2.580 1.00 0.00 H new ATOM 802 N GLY A 51 5.803 -3.939 1.598 1.00 0.00 N ATOM 803 CA GLY A 51 6.816 -3.136 0.856 1.00 0.00 C ATOM 804 C GLY A 51 7.850 -4.073 0.235 1.00 0.00 C ATOM 805 O GLY A 51 8.004 -4.130 -0.970 1.00 0.00 O ATOM 0 H GLY A 51 6.189 -4.648 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.330 -2.546 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.305 -2.433 1.531 1.00 0.00 H new ATOM 809 N GLU A 52 8.564 -4.805 1.050 1.00 0.00 N ATOM 810 CA GLU A 52 9.595 -5.736 0.514 1.00 0.00 C ATOM 811 C GLU A 52 9.639 -7.005 1.381 1.00 0.00 C ATOM 812 O GLU A 52 8.635 -7.661 1.567 1.00 0.00 O ATOM 813 CB GLU A 52 10.954 -5.022 0.517 1.00 0.00 C ATOM 814 CG GLU A 52 11.769 -5.448 -0.710 1.00 0.00 C ATOM 815 CD GLU A 52 12.289 -6.876 -0.518 1.00 0.00 C ATOM 816 OE1 GLU A 52 11.583 -7.801 -0.889 1.00 0.00 O ATOM 817 OE2 GLU A 52 13.385 -7.022 -0.003 1.00 0.00 O ATOM 0 H GLU A 52 8.476 -4.796 2.066 1.00 0.00 H new ATOM 0 HA GLU A 52 9.351 -6.028 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.807 -3.942 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.500 -5.264 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.150 -5.394 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.605 -4.764 -0.858 1.00 0.00 H new ATOM 824 N ASN A 53 10.787 -7.358 1.908 1.00 0.00 N ATOM 825 CA ASN A 53 10.880 -8.583 2.756 1.00 0.00 C ATOM 826 C ASN A 53 11.430 -8.222 4.144 1.00 0.00 C ATOM 827 O ASN A 53 10.763 -8.415 5.143 1.00 0.00 O ATOM 828 CB ASN A 53 11.791 -9.614 2.083 1.00 0.00 C ATOM 829 CG ASN A 53 10.950 -10.772 1.542 1.00 0.00 C ATOM 830 OD1 ASN A 53 10.412 -11.553 2.300 1.00 0.00 O ATOM 831 ND2 ASN A 53 10.815 -10.916 0.252 1.00 0.00 N ATOM 0 H ASN A 53 11.662 -6.849 1.786 1.00 0.00 H new ATOM 0 HA ASN A 53 9.884 -9.011 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.348 -9.146 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.524 -9.987 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.257 -11.685 -0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.267 -10.260 -0.385 1.00 0.00 H new ATOM 838 N PRO A 54 12.640 -7.711 4.216 1.00 0.00 N ATOM 839 CA PRO A 54 13.273 -7.336 5.509 1.00 0.00 C ATOM 840 C PRO A 54 12.833 -5.947 5.979 1.00 0.00 C ATOM 841 O PRO A 54 13.518 -5.289 6.738 1.00 0.00 O ATOM 842 CB PRO A 54 14.769 -7.343 5.191 1.00 0.00 C ATOM 843 CG PRO A 54 14.879 -7.077 3.722 1.00 0.00 C ATOM 844 CD PRO A 54 13.533 -7.429 3.078 1.00 0.00 C ATOM 0 HA PRO A 54 12.996 -8.016 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.294 -6.580 5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.218 -8.302 5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.127 -6.031 3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.679 -7.674 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.156 -6.605 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.622 -8.293 2.420 1.00 0.00 H new ATOM 852 N GLY A 55 11.695 -5.495 5.523 1.00 0.00 N ATOM 853 CA GLY A 55 11.204 -4.148 5.927 1.00 0.00 C ATOM 854 C GLY A 55 10.696 -4.181 7.367 1.00 0.00 C ATOM 855 O GLY A 55 10.489 -5.232 7.944 1.00 0.00 O ATOM 0 H GLY A 55 11.083 -6.004 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.007 -3.417 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.404 -3.829 5.259 1.00 0.00 H new ATOM 859 N SER A 56 10.488 -3.028 7.942 1.00 0.00 N ATOM 860 CA SER A 56 9.984 -2.959 9.342 1.00 0.00 C ATOM 861 C SER A 56 8.534 -3.450 9.379 1.00 0.00 C ATOM 862 O SER A 56 7.939 -3.583 10.431 1.00 0.00 O ATOM 863 CB SER A 56 10.058 -1.511 9.829 1.00 0.00 C ATOM 864 OG SER A 56 9.697 -1.458 11.203 1.00 0.00 O ATOM 0 H SER A 56 10.647 -2.124 7.498 1.00 0.00 H new ATOM 0 HA SER A 56 10.593 -3.589 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.066 -1.120 9.691 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.389 -0.883 9.241 1.00 0.00 H new ATOM 0 HG SER A 56 9.745 -0.531 11.518 1.00 0.00 H new ATOM 870 N LYS A 57 7.968 -3.718 8.229 1.00 0.00 N ATOM 871 CA LYS A 57 6.559 -4.204 8.166 1.00 0.00 C ATOM 872 C LYS A 57 6.405 -5.466 9.022 1.00 0.00 C ATOM 873 O LYS A 57 5.319 -5.811 9.436 1.00 0.00 O ATOM 874 CB LYS A 57 6.208 -4.534 6.710 1.00 0.00 C ATOM 875 CG LYS A 57 7.102 -5.671 6.203 1.00 0.00 C ATOM 876 CD LYS A 57 6.637 -6.108 4.811 1.00 0.00 C ATOM 877 CE LYS A 57 7.571 -7.195 4.271 1.00 0.00 C ATOM 878 NZ LYS A 57 7.651 -8.322 5.243 1.00 0.00 N ATOM 0 H LYS A 57 8.428 -3.619 7.324 1.00 0.00 H new ATOM 0 HA LYS A 57 5.891 -3.430 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.160 -4.823 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.340 -3.650 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.140 -5.341 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.061 -6.514 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.615 -6.485 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.629 -5.253 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.205 -7.557 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.564 -6.781 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.021 -9.168 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.285 -8.062 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.703 -8.524 5.619 1.00 0.00 H new ATOM 892 N LEU A 58 7.485 -6.156 9.279 1.00 0.00 N ATOM 893 CA LEU A 58 7.419 -7.405 10.097 1.00 0.00 C ATOM 894 C LEU A 58 6.547 -7.195 11.343 1.00 0.00 C ATOM 895 O LEU A 58 5.997 -8.131 11.882 1.00 0.00 O ATOM 896 CB LEU A 58 8.836 -7.793 10.530 1.00 0.00 C ATOM 897 CG LEU A 58 8.857 -9.247 11.019 1.00 0.00 C ATOM 898 CD1 LEU A 58 8.878 -10.197 9.818 1.00 0.00 C ATOM 899 CD2 LEU A 58 10.109 -9.477 11.869 1.00 0.00 C ATOM 0 H LEU A 58 8.419 -5.906 8.954 1.00 0.00 H new ATOM 0 HA LEU A 58 6.977 -8.198 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.526 -7.672 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.177 -7.129 11.324 1.00 0.00 H new ATOM 0 HG LEU A 58 7.966 -9.440 11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.893 -11.228 10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.988 -10.034 9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.768 -10.006 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.127 -10.509 12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.997 -9.281 11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.095 -8.804 12.726 1.00 0.00 H new ATOM 911 N GLU A 59 6.417 -5.982 11.805 1.00 0.00 N ATOM 912 CA GLU A 59 5.584 -5.738 13.019 1.00 0.00 C ATOM 913 C GLU A 59 4.103 -5.692 12.646 1.00 0.00 C ATOM 914 O GLU A 59 3.329 -6.531 13.072 1.00 0.00 O ATOM 915 CB GLU A 59 5.998 -4.413 13.667 1.00 0.00 C ATOM 916 CG GLU A 59 5.522 -4.374 15.123 1.00 0.00 C ATOM 917 CD GLU A 59 3.998 -4.229 15.164 1.00 0.00 C ATOM 918 OE1 GLU A 59 3.506 -3.211 14.703 1.00 0.00 O ATOM 919 OE2 GLU A 59 3.348 -5.140 15.652 1.00 0.00 O ATOM 0 H GLU A 59 6.849 -5.152 11.398 1.00 0.00 H new ATOM 0 HA GLU A 59 5.741 -6.553 13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.081 -4.301 13.626 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.570 -3.578 13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.824 -5.285 15.639 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.990 -3.541 15.647 1.00 0.00 H new ATOM 926 N LYS A 60 3.690 -4.732 11.864 1.00 0.00 N ATOM 927 CA LYS A 60 2.249 -4.670 11.500 1.00 0.00 C ATOM 928 C LYS A 60 1.932 -5.763 10.483 1.00 0.00 C ATOM 929 O LYS A 60 0.869 -6.344 10.510 1.00 0.00 O ATOM 930 CB LYS A 60 1.909 -3.303 10.908 1.00 0.00 C ATOM 931 CG LYS A 60 0.386 -3.186 10.765 1.00 0.00 C ATOM 932 CD LYS A 60 -0.010 -1.718 10.613 1.00 0.00 C ATOM 933 CE LYS A 60 -1.483 -1.633 10.209 1.00 0.00 C ATOM 934 NZ LYS A 60 -1.815 -0.230 9.843 1.00 0.00 N ATOM 0 H LYS A 60 4.278 -3.999 11.467 1.00 0.00 H new ATOM 0 HA LYS A 60 1.651 -4.822 12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.289 -2.509 11.551 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.389 -3.183 9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.048 -3.754 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.104 -3.616 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.154 -1.186 11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.614 -1.237 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.679 -2.296 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.117 -1.966 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.683 0.061 10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.032 0.396 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.962 -0.165 8.816 1.00 0.00 H new ATOM 948 N ALA A 61 2.850 -6.057 9.598 1.00 0.00 N ATOM 949 CA ALA A 61 2.599 -7.121 8.585 1.00 0.00 C ATOM 950 C ALA A 61 2.441 -8.466 9.290 1.00 0.00 C ATOM 951 O ALA A 61 1.561 -9.238 8.959 1.00 0.00 O ATOM 952 CB ALA A 61 3.754 -7.190 7.594 1.00 0.00 C ATOM 0 H ALA A 61 3.762 -5.605 9.535 1.00 0.00 H new ATOM 0 HA ALA A 61 1.685 -6.885 8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.557 -7.971 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.855 -6.231 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.677 -7.417 8.127 1.00 0.00 H new ATOM 958 N ARG A 62 3.256 -8.757 10.282 1.00 0.00 N ATOM 959 CA ARG A 62 3.088 -10.049 11.005 1.00 0.00 C ATOM 960 C ARG A 62 1.678 -10.045 11.583 1.00 0.00 C ATOM 961 O ARG A 62 0.982 -11.039 11.560 1.00 0.00 O ATOM 962 CB ARG A 62 4.121 -10.160 12.132 1.00 0.00 C ATOM 963 CG ARG A 62 3.898 -11.455 12.921 1.00 0.00 C ATOM 964 CD ARG A 62 4.996 -11.607 13.977 1.00 0.00 C ATOM 965 NE ARG A 62 5.132 -13.044 14.347 1.00 0.00 N ATOM 966 CZ ARG A 62 5.253 -13.387 15.601 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.231 -12.907 16.319 1.00 0.00 N ATOM 968 NH2 ARG A 62 4.395 -14.211 16.136 1.00 0.00 N ATOM 0 H ARG A 62 4.016 -8.162 10.613 1.00 0.00 H new ATOM 0 HA ARG A 62 3.235 -10.897 10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.128 -10.147 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.040 -9.300 12.797 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.919 -11.437 13.400 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.907 -12.311 12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.942 -11.229 13.591 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.752 -11.015 14.859 1.00 0.00 H new ATOM 0 HE ARG A 62 5.131 -13.760 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.902 -12.263 15.901 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.324 -13.176 17.299 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.631 -14.587 15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.489 -14.480 17.116 1.00 0.00 H new ATOM 982 N ALA A 63 1.248 -8.895 12.044 1.00 0.00 N ATOM 983 CA ALA A 63 -0.140 -8.739 12.577 1.00 0.00 C ATOM 984 C ALA A 63 -0.553 -9.922 13.459 1.00 0.00 C ATOM 985 O ALA A 63 -1.034 -10.930 12.977 1.00 0.00 O ATOM 986 CB ALA A 63 -1.106 -8.634 11.394 1.00 0.00 C ATOM 0 H ALA A 63 1.811 -8.045 12.073 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.171 -7.840 13.193 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.125 -8.520 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.842 -7.769 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.040 -9.538 10.789 1.00 0.00 H new ATOM 992 N LEU A 64 -0.396 -9.800 14.749 1.00 0.00 N ATOM 993 CA LEU A 64 -0.801 -10.903 15.662 1.00 0.00 C ATOM 994 C LEU A 64 -2.320 -10.819 15.893 1.00 0.00 C ATOM 995 O LEU A 64 -2.838 -11.263 16.896 1.00 0.00 O ATOM 996 CB LEU A 64 -0.039 -10.737 16.989 1.00 0.00 C ATOM 997 CG LEU A 64 -0.482 -11.790 18.013 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.513 -13.179 17.365 1.00 0.00 C ATOM 999 CD2 LEU A 64 0.502 -11.800 19.187 1.00 0.00 C ATOM 0 H LEU A 64 -0.003 -8.980 15.210 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.564 -11.876 15.233 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.033 -10.826 16.811 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.213 -9.739 17.390 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.482 -11.542 18.368 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.829 -13.917 18.102 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.215 -13.176 16.531 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.482 -13.433 17.001 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.190 -12.547 19.917 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.500 -12.043 18.823 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.517 -10.817 19.658 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.044 -10.256 14.962 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.518 -10.147 15.124 1.00 0.00 C ATOM 1013 C GLY A 65 -5.025 -9.049 14.199 1.00 0.00 C ATOM 1014 O GLY A 65 -6.118 -9.117 13.671 1.00 0.00 O ATOM 0 H GLY A 65 -2.674 -9.867 14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.997 -11.096 14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.769 -9.916 16.159 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.229 -8.033 14.006 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.651 -6.912 13.116 1.00 0.00 C ATOM 1020 C VAL A 66 -4.558 -7.346 11.645 1.00 0.00 C ATOM 1021 O VAL A 66 -3.865 -8.285 11.315 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.762 -5.685 13.361 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -3.993 -5.165 14.783 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.285 -6.064 13.191 1.00 0.00 C ATOM 0 H VAL A 66 -3.305 -7.930 14.425 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.685 -6.650 13.342 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.017 -4.909 12.639 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.362 -4.294 14.959 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.040 -4.885 14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.742 -5.945 15.501 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.662 -5.187 13.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.025 -6.844 13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.118 -6.431 12.178 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.266 -6.672 10.766 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.278 -6.993 9.315 1.00 0.00 C ATOM 1036 C PRO A 67 -4.179 -6.268 8.518 1.00 0.00 C ATOM 1037 O PRO A 67 -3.897 -5.107 8.740 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.663 -6.523 8.869 1.00 0.00 C ATOM 1039 CG PRO A 67 -7.083 -5.461 9.845 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.143 -5.532 11.058 1.00 0.00 C ATOM 0 HA PRO A 67 -5.083 -8.051 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.631 -6.127 7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.372 -7.351 8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.033 -4.476 9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.117 -5.615 10.154 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.573 -4.610 11.175 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.698 -5.683 11.984 1.00 0.00 H new ATOM 1048 N THR A 68 -3.567 -6.962 7.587 1.00 0.00 N ATOM 1049 CA THR A 68 -2.485 -6.355 6.748 1.00 0.00 C ATOM 1050 C THR A 68 -2.820 -6.585 5.270 1.00 0.00 C ATOM 1051 O THR A 68 -3.117 -7.695 4.869 1.00 0.00 O ATOM 1052 CB THR A 68 -1.154 -7.034 7.072 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.262 -8.432 6.836 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.804 -6.788 8.537 1.00 0.00 C ATOM 0 H THR A 68 -3.775 -7.937 7.371 1.00 0.00 H new ATOM 0 HA THR A 68 -2.410 -5.287 6.953 1.00 0.00 H new ATOM 0 HB THR A 68 -0.371 -6.621 6.436 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.821 -8.588 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.145 -7.271 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.719 -5.716 8.716 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.587 -7.201 9.173 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.781 -5.561 4.453 1.00 0.00 N ATOM 1063 CA LEU A 69 -3.107 -5.749 3.006 1.00 0.00 C ATOM 1064 C LEU A 69 -1.816 -5.929 2.205 1.00 0.00 C ATOM 1065 O LEU A 69 -0.952 -5.071 2.196 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.861 -4.514 2.489 1.00 0.00 C ATOM 1067 CG LEU A 69 -5.250 -4.915 1.973 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.111 -5.892 0.802 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -6.052 -5.573 3.102 1.00 0.00 C ATOM 0 H LEU A 69 -2.539 -4.608 4.724 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.731 -6.635 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.961 -3.779 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.291 -4.040 1.690 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.774 -4.022 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.101 -6.171 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.552 -5.416 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.580 -6.784 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.037 -5.856 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.527 -6.462 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.163 -4.870 3.927 1.00 0.00 H new ATOM 1081 N THR A 70 -1.675 -7.043 1.537 1.00 0.00 N ATOM 1082 CA THR A 70 -0.442 -7.291 0.735 1.00 0.00 C ATOM 1083 C THR A 70 -0.317 -6.236 -0.367 1.00 0.00 C ATOM 1084 O THR A 70 -1.290 -5.853 -0.987 1.00 0.00 O ATOM 1085 CB THR A 70 -0.524 -8.680 0.093 1.00 0.00 C ATOM 1086 OG1 THR A 70 -1.085 -9.599 1.020 1.00 0.00 O ATOM 1087 CG2 THR A 70 0.877 -9.147 -0.307 1.00 0.00 C ATOM 0 H THR A 70 -2.364 -7.795 1.512 1.00 0.00 H new ATOM 0 HA THR A 70 0.428 -7.236 1.390 1.00 0.00 H new ATOM 0 HB THR A 70 -1.154 -8.630 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.139 -10.487 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.815 -10.135 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.305 -8.444 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.511 -9.195 0.578 1.00 0.00 H new ATOM 1095 N GLU A 71 0.881 -5.777 -0.623 1.00 0.00 N ATOM 1096 CA GLU A 71 1.087 -4.760 -1.697 1.00 0.00 C ATOM 1097 C GLU A 71 0.801 -5.399 -3.059 1.00 0.00 C ATOM 1098 O GLU A 71 0.547 -4.720 -4.031 1.00 0.00 O ATOM 1099 CB GLU A 71 2.534 -4.265 -1.654 1.00 0.00 C ATOM 1100 CG GLU A 71 2.645 -2.925 -2.389 1.00 0.00 C ATOM 1101 CD GLU A 71 3.982 -2.260 -2.045 1.00 0.00 C ATOM 1102 OE1 GLU A 71 4.998 -2.931 -2.127 1.00 0.00 O ATOM 1103 OE2 GLU A 71 3.966 -1.088 -1.702 1.00 0.00 O ATOM 0 H GLU A 71 1.728 -6.064 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 71 0.412 -3.918 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.859 -4.151 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.193 -5.000 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.571 -3.082 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.819 -2.273 -2.105 1.00 0.00 H new ATOM 1110 N GLU A 72 0.847 -6.706 -3.129 1.00 0.00 N ATOM 1111 CA GLU A 72 0.579 -7.409 -4.421 1.00 0.00 C ATOM 1112 C GLU A 72 -0.655 -6.795 -5.093 1.00 0.00 C ATOM 1113 O GLU A 72 -0.625 -6.431 -6.252 1.00 0.00 O ATOM 1114 CB GLU A 72 0.322 -8.895 -4.146 1.00 0.00 C ATOM 1115 CG GLU A 72 0.484 -9.699 -5.439 1.00 0.00 C ATOM 1116 CD GLU A 72 -0.231 -11.045 -5.297 1.00 0.00 C ATOM 1117 OE1 GLU A 72 -1.441 -11.073 -5.465 1.00 0.00 O ATOM 1118 OE2 GLU A 72 0.442 -12.025 -5.020 1.00 0.00 O ATOM 0 H GLU A 72 1.060 -7.319 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 72 1.441 -7.302 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.018 -9.260 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.683 -9.031 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.070 -9.142 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.541 -9.858 -5.651 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.737 -6.681 -4.366 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.981 -6.094 -4.943 1.00 0.00 C ATOM 1127 C GLU A 73 -2.724 -4.642 -5.363 1.00 0.00 C ATOM 1128 O GLU A 73 -3.301 -4.152 -6.316 1.00 0.00 O ATOM 1129 CB GLU A 73 -4.092 -6.135 -3.889 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.461 -6.173 -4.575 1.00 0.00 C ATOM 1131 CD GLU A 73 -5.770 -7.605 -5.024 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.229 -8.377 -4.198 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -5.544 -7.903 -6.185 1.00 0.00 O ATOM 0 H GLU A 73 -1.811 -6.972 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.283 -6.670 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.970 -7.012 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.024 -5.260 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.232 -5.821 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.468 -5.502 -5.434 1.00 0.00 H new ATOM 1140 N LEU A 74 -1.859 -3.953 -4.661 1.00 0.00 N ATOM 1141 CA LEU A 74 -1.559 -2.535 -5.021 1.00 0.00 C ATOM 1142 C LEU A 74 -0.997 -2.487 -6.441 1.00 0.00 C ATOM 1143 O LEU A 74 -1.469 -1.746 -7.279 1.00 0.00 O ATOM 1144 CB LEU A 74 -0.526 -1.958 -4.041 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.260 -0.482 -4.371 1.00 0.00 C ATOM 1146 CD1 LEU A 74 0.235 0.246 -3.118 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.810 -0.380 -5.466 1.00 0.00 C ATOM 0 H LEU A 74 -1.348 -4.312 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.473 -1.944 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.891 -2.051 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.402 -2.526 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.186 -0.024 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.423 1.293 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.522 0.182 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.157 -0.218 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.995 0.669 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.733 -0.843 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.463 -0.893 -6.363 1.00 0.00 H new ATOM 1159 N TYR A 75 0.008 -3.278 -6.716 1.00 0.00 N ATOM 1160 CA TYR A 75 0.610 -3.287 -8.082 1.00 0.00 C ATOM 1161 C TYR A 75 -0.456 -3.669 -9.113 1.00 0.00 C ATOM 1162 O TYR A 75 -0.449 -3.192 -10.228 1.00 0.00 O ATOM 1163 CB TYR A 75 1.752 -4.308 -8.129 1.00 0.00 C ATOM 1164 CG TYR A 75 2.879 -3.853 -7.230 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.699 -2.788 -7.622 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.104 -4.494 -6.005 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.741 -2.363 -6.791 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.147 -4.070 -5.174 1.00 0.00 C ATOM 1169 CZ TYR A 75 4.966 -3.005 -5.567 1.00 0.00 C ATOM 1170 OH TYR A 75 5.994 -2.585 -4.748 1.00 0.00 O ATOM 0 H TYR A 75 0.439 -3.920 -6.051 1.00 0.00 H new ATOM 0 HA TYR A 75 0.997 -2.294 -8.312 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.392 -5.286 -7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.112 -4.419 -9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.527 -2.294 -8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.472 -5.316 -5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.372 -1.540 -7.093 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.320 -4.564 -4.230 1.00 0.00 H new ATOM 0 HH TYR A 75 5.756 -2.752 -3.812 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.366 -4.532 -8.748 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.427 -4.952 -9.709 1.00 0.00 C ATOM 1182 C ARG A 76 -3.337 -3.763 -10.042 1.00 0.00 C ATOM 1183 O ARG A 76 -3.262 -3.196 -11.115 1.00 0.00 O ATOM 1184 CB ARG A 76 -3.257 -6.080 -9.084 1.00 0.00 C ATOM 1185 CG ARG A 76 -4.163 -6.705 -10.150 1.00 0.00 C ATOM 1186 CD ARG A 76 -5.202 -7.609 -9.477 1.00 0.00 C ATOM 1187 NE ARG A 76 -4.509 -8.706 -8.741 1.00 0.00 N ATOM 1188 CZ ARG A 76 -4.028 -9.731 -9.392 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -4.819 -10.474 -10.119 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -2.757 -10.013 -9.314 1.00 0.00 N ATOM 0 H ARG A 76 -1.421 -4.964 -7.826 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.961 -5.306 -10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.598 -6.839 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.860 -5.690 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.663 -5.923 -10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.566 -7.283 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.815 -7.026 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.874 -8.028 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.411 -8.655 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.813 -10.254 -10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.442 -11.274 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.140 -9.433 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.380 -10.813 -9.822 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.212 -3.404 -9.139 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.154 -2.277 -9.395 1.00 0.00 C ATOM 1206 C LEU A 77 -4.387 -1.011 -9.803 1.00 0.00 C ATOM 1207 O LEU A 77 -4.930 -0.140 -10.452 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.973 -2.022 -8.125 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.678 -3.326 -7.713 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -6.814 -3.387 -6.190 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -8.069 -3.390 -8.355 1.00 0.00 C ATOM 0 H LEU A 77 -4.314 -3.849 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.821 -2.540 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.323 -1.675 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.708 -1.237 -8.302 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.083 -4.173 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.314 -4.313 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.824 -3.355 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.401 -2.537 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.564 -4.315 -8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.663 -2.539 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.971 -3.361 -9.440 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.134 -0.903 -9.441 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.350 0.308 -9.830 1.00 0.00 C ATOM 1225 C LEU A 78 -1.794 0.125 -11.245 1.00 0.00 C ATOM 1226 O LEU A 78 -2.165 0.837 -12.157 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.195 0.519 -8.848 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.502 1.857 -9.142 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -0.183 2.574 -7.825 1.00 0.00 C ATOM 1230 CD2 LEU A 78 0.800 1.603 -9.910 1.00 0.00 C ATOM 0 H LEU A 78 -2.622 -1.597 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.003 1.180 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.569 0.510 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.479 -0.299 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.165 2.480 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.309 3.523 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.108 2.759 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.477 1.950 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.291 2.554 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.460 0.977 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.576 1.097 -10.849 1.00 0.00 H new ATOM 1242 N GLU A 79 -0.900 -0.817 -11.429 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.306 -1.042 -12.785 1.00 0.00 C ATOM 1244 C GLU A 79 -1.423 -1.113 -13.830 1.00 0.00 C ATOM 1245 O GLU A 79 -1.232 -0.760 -14.978 1.00 0.00 O ATOM 1246 CB GLU A 79 0.486 -2.352 -12.790 1.00 0.00 C ATOM 1247 CG GLU A 79 1.422 -2.380 -14.002 1.00 0.00 C ATOM 1248 CD GLU A 79 2.481 -3.469 -13.807 1.00 0.00 C ATOM 1249 OE1 GLU A 79 3.518 -3.165 -13.240 1.00 0.00 O ATOM 1250 OE2 GLU A 79 2.235 -4.589 -14.226 1.00 0.00 O ATOM 0 H GLU A 79 -0.556 -1.440 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 79 0.363 -0.216 -13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.063 -2.444 -11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.196 -3.201 -12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.851 -2.572 -14.911 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.902 -1.409 -14.126 1.00 0.00 H new ATOM 1257 N ALA A 80 -2.597 -1.537 -13.432 1.00 0.00 N ATOM 1258 CA ALA A 80 -3.731 -1.594 -14.395 1.00 0.00 C ATOM 1259 C ALA A 80 -4.301 -0.182 -14.525 1.00 0.00 C ATOM 1260 O ALA A 80 -4.225 0.431 -15.571 1.00 0.00 O ATOM 1261 CB ALA A 80 -4.809 -2.546 -13.869 1.00 0.00 C ATOM 0 H ALA A 80 -2.815 -1.844 -12.484 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.393 -1.959 -15.365 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.637 -2.585 -14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.387 -3.544 -13.750 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.172 -2.188 -12.905 1.00 0.00 H new ATOM 1267 N ARG A 81 -4.870 0.333 -13.460 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.445 1.713 -13.500 1.00 0.00 C ATOM 1269 C ARG A 81 -4.493 2.633 -14.273 1.00 0.00 C ATOM 1270 O ARG A 81 -4.902 3.355 -15.162 1.00 0.00 O ATOM 1271 CB ARG A 81 -5.627 2.240 -12.072 1.00 0.00 C ATOM 1272 CG ARG A 81 -6.270 3.633 -12.118 1.00 0.00 C ATOM 1273 CD ARG A 81 -7.436 3.699 -11.127 1.00 0.00 C ATOM 1274 NE ARG A 81 -8.591 2.924 -11.665 1.00 0.00 N ATOM 1275 CZ ARG A 81 -9.694 3.538 -11.999 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -9.686 4.418 -12.963 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -10.806 3.274 -11.367 1.00 0.00 N ATOM 0 H ARG A 81 -4.960 -0.145 -12.564 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.415 1.690 -13.997 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.254 1.557 -11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.663 2.289 -11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.529 4.394 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.625 3.847 -13.126 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.130 3.294 -10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.727 4.736 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.519 1.912 -11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.818 4.626 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.548 4.897 -13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.813 2.588 -10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.667 3.754 -11.628 1.00 0.00 H new ATOM 1291 N THR A 82 -3.221 2.592 -13.957 1.00 0.00 N ATOM 1292 CA THR A 82 -2.240 3.444 -14.693 1.00 0.00 C ATOM 1293 C THR A 82 -2.192 2.980 -16.150 1.00 0.00 C ATOM 1294 O THR A 82 -2.370 3.756 -17.070 1.00 0.00 O ATOM 1295 CB THR A 82 -0.847 3.297 -14.065 1.00 0.00 C ATOM 1296 OG1 THR A 82 -0.467 1.928 -14.066 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.867 3.818 -12.626 1.00 0.00 C ATOM 0 H THR A 82 -2.822 2.006 -13.223 1.00 0.00 H new ATOM 0 HA THR A 82 -2.544 4.489 -14.639 1.00 0.00 H new ATOM 0 HB THR A 82 -0.130 3.876 -14.647 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.954 1.453 -13.361 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.125 3.711 -12.186 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.153 4.870 -12.624 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.587 3.245 -12.042 1.00 0.00 H new ATOM 1305 N GLY A 83 -1.952 1.712 -16.358 1.00 0.00 N ATOM 1306 CA GLY A 83 -1.888 1.167 -17.745 1.00 0.00 C ATOM 1307 C GLY A 83 -0.463 1.303 -18.285 1.00 0.00 C ATOM 1308 O GLY A 83 -0.230 1.200 -19.474 1.00 0.00 O ATOM 0 H GLY A 83 -1.796 1.026 -15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.191 0.120 -17.749 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.585 1.703 -18.390 1.00 0.00 H new ATOM 1312 N LYS A 84 0.492 1.528 -17.418 1.00 0.00 N ATOM 1313 CA LYS A 84 1.907 1.665 -17.871 1.00 0.00 C ATOM 1314 C LYS A 84 2.803 0.808 -16.966 1.00 0.00 C ATOM 1315 O LYS A 84 2.658 -0.398 -16.908 1.00 0.00 O ATOM 1316 CB LYS A 84 2.323 3.141 -17.792 1.00 0.00 C ATOM 1317 CG LYS A 84 3.686 3.338 -18.467 1.00 0.00 C ATOM 1318 CD LYS A 84 3.485 3.818 -19.907 1.00 0.00 C ATOM 1319 CE LYS A 84 4.827 3.807 -20.643 1.00 0.00 C ATOM 1320 NZ LYS A 84 4.674 4.471 -21.968 1.00 0.00 N ATOM 0 H LYS A 84 0.350 1.623 -16.412 1.00 0.00 H new ATOM 0 HA LYS A 84 2.009 1.326 -18.902 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.573 3.765 -18.278 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.375 3.458 -16.750 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.276 4.066 -17.910 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.245 2.402 -18.460 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.772 3.173 -20.420 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.065 4.824 -19.911 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.583 4.323 -20.051 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.172 2.782 -20.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.586 4.463 -22.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.966 3.960 -22.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.363 5.454 -21.830 1.00 0.00 H new ATOM 1334 N LYS A 85 3.720 1.416 -16.255 1.00 0.00 N ATOM 1335 CA LYS A 85 4.614 0.635 -15.351 1.00 0.00 C ATOM 1336 C LYS A 85 4.430 1.129 -13.916 1.00 0.00 C ATOM 1337 O LYS A 85 4.680 2.281 -13.614 1.00 0.00 O ATOM 1338 CB LYS A 85 6.074 0.830 -15.773 1.00 0.00 C ATOM 1339 CG LYS A 85 6.295 0.226 -17.163 1.00 0.00 C ATOM 1340 CD LYS A 85 7.787 -0.052 -17.376 1.00 0.00 C ATOM 1341 CE LYS A 85 8.548 1.273 -17.485 1.00 0.00 C ATOM 1342 NZ LYS A 85 7.959 2.097 -18.577 1.00 0.00 N ATOM 0 H LYS A 85 3.887 2.422 -16.263 1.00 0.00 H new ATOM 0 HA LYS A 85 4.360 -0.423 -15.413 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.321 1.892 -15.784 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.738 0.356 -15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.725 -0.698 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.930 0.910 -17.929 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.179 -0.641 -16.547 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.931 -0.641 -18.282 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.496 1.813 -16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.602 1.083 -17.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.654 2.803 -18.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.702 1.482 -19.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.108 2.582 -18.226 1.00 0.00 H new ATOM 1356 N ALA A 86 3.979 0.271 -13.037 1.00 0.00 N ATOM 1357 CA ALA A 86 3.762 0.687 -11.619 1.00 0.00 C ATOM 1358 C ALA A 86 4.960 1.516 -11.139 1.00 0.00 C ATOM 1359 O ALA A 86 4.800 2.606 -10.626 1.00 0.00 O ATOM 1360 CB ALA A 86 3.613 -0.555 -10.739 1.00 0.00 C ATOM 0 H ALA A 86 3.751 -0.702 -13.241 1.00 0.00 H new ATOM 0 HA ALA A 86 2.856 1.289 -11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.455 -0.251 -9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.760 -1.142 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.518 -1.159 -10.805 1.00 0.00 H new ATOM 1366 N GLU A 87 6.156 1.009 -11.304 1.00 0.00 N ATOM 1367 CA GLU A 87 7.362 1.771 -10.859 1.00 0.00 C ATOM 1368 C GLU A 87 7.374 3.146 -11.532 1.00 0.00 C ATOM 1369 O GLU A 87 7.546 4.161 -10.886 1.00 0.00 O ATOM 1370 CB GLU A 87 8.627 1.004 -11.253 1.00 0.00 C ATOM 1371 CG GLU A 87 8.637 -0.365 -10.567 1.00 0.00 C ATOM 1372 CD GLU A 87 10.011 -1.017 -10.746 1.00 0.00 C ATOM 1373 OE1 GLU A 87 10.963 -0.514 -10.169 1.00 0.00 O ATOM 1374 OE2 GLU A 87 10.089 -2.007 -11.456 1.00 0.00 O ATOM 0 H GLU A 87 6.349 0.101 -11.727 1.00 0.00 H new ATOM 0 HA GLU A 87 7.333 1.894 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.666 0.879 -12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.512 1.572 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.411 -0.254 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.862 -1.002 -10.993 1.00 0.00 H new ATOM 1381 N GLU A 88 7.185 3.179 -12.828 1.00 0.00 N ATOM 1382 CA GLU A 88 7.172 4.479 -13.570 1.00 0.00 C ATOM 1383 C GLU A 88 8.564 5.126 -13.541 1.00 0.00 C ATOM 1384 O GLU A 88 8.808 6.107 -14.215 1.00 0.00 O ATOM 1385 CB GLU A 88 6.154 5.429 -12.930 1.00 0.00 C ATOM 1386 CG GLU A 88 5.455 6.245 -14.021 1.00 0.00 C ATOM 1387 CD GLU A 88 4.500 7.251 -13.375 1.00 0.00 C ATOM 1388 OE1 GLU A 88 4.974 8.276 -12.915 1.00 0.00 O ATOM 1389 OE2 GLU A 88 3.311 6.977 -13.349 1.00 0.00 O ATOM 0 H GLU A 88 7.038 2.354 -13.409 1.00 0.00 H new ATOM 0 HA GLU A 88 6.893 4.287 -14.606 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.419 4.860 -12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.655 6.096 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.194 6.768 -14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.905 5.582 -14.689 1.00 0.00 H new ATOM 1396 N LEU A 89 9.475 4.594 -12.765 1.00 0.00 N ATOM 1397 CA LEU A 89 10.844 5.189 -12.691 1.00 0.00 C ATOM 1398 C LEU A 89 11.891 4.100 -12.948 1.00 0.00 C ATOM 1399 O LEU A 89 11.632 3.140 -13.644 1.00 0.00 O ATOM 1400 CB LEU A 89 11.056 5.801 -11.298 1.00 0.00 C ATOM 1401 CG LEU A 89 10.879 4.722 -10.217 1.00 0.00 C ATOM 1402 CD1 LEU A 89 12.241 4.352 -9.616 1.00 0.00 C ATOM 1403 CD2 LEU A 89 9.968 5.258 -9.107 1.00 0.00 C ATOM 0 H LEU A 89 9.329 3.772 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 89 10.948 5.968 -13.447 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.054 6.235 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.345 6.611 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 89 10.432 3.836 -10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.106 3.587 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.893 3.969 -10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.693 5.237 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.841 4.494 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.418 6.146 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.996 5.515 -9.527 1.00 0.00 H new ATOM 1415 N VAL A 90 13.071 4.260 -12.392 1.00 0.00 N ATOM 1416 CA VAL A 90 14.173 3.259 -12.579 1.00 0.00 C ATOM 1417 C VAL A 90 14.917 3.546 -13.889 1.00 0.00 C ATOM 1418 O VAL A 90 16.094 3.268 -14.012 1.00 0.00 O ATOM 1419 CB VAL A 90 13.614 1.820 -12.568 1.00 0.00 C ATOM 1420 CG1 VAL A 90 13.640 1.212 -13.978 1.00 0.00 C ATOM 1421 CG2 VAL A 90 14.468 0.955 -11.635 1.00 0.00 C ATOM 0 H VAL A 90 13.321 5.057 -11.806 1.00 0.00 H new ATOM 0 HA VAL A 90 14.875 3.348 -11.750 1.00 0.00 H new ATOM 0 HB VAL A 90 12.582 1.851 -12.219 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.241 0.198 -13.944 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.031 1.819 -14.647 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.666 1.186 -14.344 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.078 -0.063 -11.623 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.498 0.944 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.436 1.367 -10.626 1.00 0.00 H new ATOM 1431 N GLY A 91 14.246 4.106 -14.863 1.00 0.00 N ATOM 1432 CA GLY A 91 14.922 4.415 -16.156 1.00 0.00 C ATOM 1433 C GLY A 91 13.973 4.124 -17.319 1.00 0.00 C ATOM 1434 O GLY A 91 12.792 4.413 -17.260 1.00 0.00 O ATOM 0 H GLY A 91 13.260 4.362 -14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.227 5.461 -16.177 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.828 3.817 -16.255 1.00 0.00 H new ATOM 1438 N SER A 92 14.487 3.547 -18.374 1.00 0.00 N ATOM 1439 CA SER A 92 13.635 3.226 -19.553 1.00 0.00 C ATOM 1440 C SER A 92 12.968 1.863 -19.344 1.00 0.00 C ATOM 1441 O SER A 92 12.061 1.788 -18.528 1.00 0.00 O ATOM 1442 CB SER A 92 14.504 3.186 -20.812 1.00 0.00 C ATOM 1443 OG SER A 92 15.626 2.341 -20.582 1.00 0.00 O ATOM 0 H SER A 92 15.468 3.283 -18.468 1.00 0.00 H new ATOM 0 HA SER A 92 12.866 3.990 -19.668 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.923 2.817 -21.657 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.838 4.191 -21.070 1.00 0.00 H new ATOM 0 HG SER A 92 16.184 2.312 -21.387 1.00 0.00 H new TER 1449 SER A 92