USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 141:sc= -0.609 (180deg=-3.05!) USER MOD Set 1.2: A 35 SER OG : rot -149:sc= -1.02 USER MOD Single : A 5 THR OG1 : rot 41:sc= 0.575 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -0.225 (180deg=-0.314) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= -0.304 (180deg=-1.38!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 130:sc= -2.41! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 57:sc= 0.145! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.025) USER MOD Single : A 52 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.041) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -25:sc= -1.94 USER MOD Single : A 60 ASN : amide:sc= -4.39! C(o=-4.4!,f=-4.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.245) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.5!) USER MOD Single : A 78 HIS : no HD1:sc= -0.758 X(o=-0.76,f=-1.1) USER MOD Single : A 79 THR OG1 : rot -49:sc= 0.596 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0761) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.751 F(o=-1.5,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -12.220 16.503 -3.868 1.00 0.00 N ATOM 23 CA PHE A 2 -11.009 16.350 -4.667 1.00 0.00 C ATOM 24 C PHE A 2 -10.160 15.191 -4.152 1.00 0.00 C ATOM 25 O PHE A 2 -9.095 15.397 -3.571 1.00 0.00 O ATOM 26 CB PHE A 2 -10.195 17.645 -4.648 1.00 0.00 C ATOM 27 CG PHE A 2 -8.955 17.589 -5.494 1.00 0.00 C ATOM 28 CD1 PHE A 2 -9.045 17.428 -6.867 1.00 0.00 C ATOM 29 CD2 PHE A 2 -7.701 17.698 -4.916 1.00 0.00 C ATOM 30 CE1 PHE A 2 -7.906 17.377 -7.649 1.00 0.00 C ATOM 31 CE2 PHE A 2 -6.559 17.648 -5.692 1.00 0.00 C ATOM 32 CZ PHE A 2 -6.661 17.486 -7.059 1.00 0.00 C ATOM 0 HA PHE A 2 -11.304 16.130 -5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.824 18.465 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.913 17.872 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.016 17.341 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.615 17.823 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.989 17.252 -8.719 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.587 17.736 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.769 17.444 -7.667 1.00 0.00 H new ATOM 42 N ILE A 3 -10.642 13.971 -4.369 1.00 0.00 N ATOM 43 CA ILE A 3 -9.930 12.778 -3.929 1.00 0.00 C ATOM 44 C ILE A 3 -8.640 12.587 -4.719 1.00 0.00 C ATOM 45 O ILE A 3 -8.656 12.539 -5.950 1.00 0.00 O ATOM 46 CB ILE A 3 -10.803 11.516 -4.074 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.163 11.731 -3.406 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.098 10.307 -3.476 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.075 11.949 -1.912 1.00 0.00 C ATOM 0 H ILE A 3 -11.523 13.784 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.689 12.922 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.965 11.327 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.651 12.592 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.796 10.865 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.729 9.426 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.153 10.144 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.906 10.484 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.076 12.094 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.616 11.078 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.469 12.832 -1.708 1.00 0.00 H new ATOM 61 N ALA A 4 -7.524 12.479 -4.005 1.00 0.00 N ATOM 62 CA ALA A 4 -6.225 12.294 -4.641 1.00 0.00 C ATOM 63 C ALA A 4 -5.932 10.815 -4.873 1.00 0.00 C ATOM 64 O ALA A 4 -5.433 10.124 -3.986 1.00 0.00 O ATOM 65 CB ALA A 4 -5.129 12.925 -3.794 1.00 0.00 C ATOM 0 H ALA A 4 -7.493 12.516 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.250 12.789 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.164 12.780 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.323 13.992 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.114 12.456 -2.810 1.00 0.00 H new ATOM 71 N THR A 5 -6.244 10.337 -6.073 1.00 0.00 N ATOM 72 CA THR A 5 -6.013 8.941 -6.425 1.00 0.00 C ATOM 73 C THR A 5 -4.742 8.796 -7.256 1.00 0.00 C ATOM 74 O THR A 5 -4.763 8.972 -8.474 1.00 0.00 O ATOM 75 CB THR A 5 -7.207 8.382 -7.198 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.495 9.187 -8.328 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.469 8.290 -6.367 1.00 0.00 C ATOM 0 H THR A 5 -6.658 10.897 -6.819 1.00 0.00 H new ATOM 0 HA THR A 5 -5.891 8.374 -5.502 1.00 0.00 H new ATOM 0 HB THR A 5 -6.912 7.375 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.657 9.463 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.277 7.886 -6.976 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.296 7.635 -5.513 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.744 9.283 -6.012 1.00 0.00 H new ATOM 85 N LEU A 6 -3.638 8.478 -6.589 1.00 0.00 N ATOM 86 CA LEU A 6 -2.357 8.312 -7.269 1.00 0.00 C ATOM 87 C LEU A 6 -1.923 6.849 -7.268 1.00 0.00 C ATOM 88 O LEU A 6 -1.392 6.349 -6.278 1.00 0.00 O ATOM 89 CB LEU A 6 -1.281 9.175 -6.602 1.00 0.00 C ATOM 90 CG LEU A 6 -1.465 9.402 -5.100 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.117 9.584 -4.419 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.358 10.607 -4.847 1.00 0.00 C ATOM 0 H LEU A 6 -3.603 8.330 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.482 8.635 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.310 8.708 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.256 10.145 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.948 8.522 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.267 9.744 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.490 8.692 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.393 10.447 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.477 10.753 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.903 11.495 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.335 10.438 -5.301 1.00 0.00 H new ATOM 104 N LYS A 7 -2.154 6.171 -8.388 1.00 0.00 N ATOM 105 CA LYS A 7 -1.788 4.765 -8.522 1.00 0.00 C ATOM 106 C LYS A 7 -0.609 4.601 -9.475 1.00 0.00 C ATOM 107 O LYS A 7 -0.740 4.814 -10.681 1.00 0.00 O ATOM 108 CB LYS A 7 -2.981 3.949 -9.023 1.00 0.00 C ATOM 109 CG LYS A 7 -4.295 4.308 -8.345 1.00 0.00 C ATOM 110 CD LYS A 7 -5.253 4.993 -9.307 1.00 0.00 C ATOM 111 CE LYS A 7 -5.836 4.009 -10.309 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.963 4.610 -11.666 1.00 0.00 N ATOM 0 H LYS A 7 -2.593 6.573 -9.216 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.494 4.397 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.085 4.096 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.778 2.890 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.760 3.405 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.100 4.964 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.060 5.463 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.730 5.788 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.201 3.125 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.816 3.678 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.364 3.908 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.589 5.439 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.025 4.903 -12.005 1.00 0.00 H new ATOM 126 N GLY A 8 0.542 4.224 -8.928 1.00 0.00 N ATOM 127 CA GLY A 8 1.726 4.040 -9.745 1.00 0.00 C ATOM 128 C GLY A 8 2.134 2.584 -9.861 1.00 0.00 C ATOM 129 O GLY A 8 2.200 1.869 -8.861 1.00 0.00 O ATOM 0 H GLY A 8 0.675 4.043 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.542 4.442 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.550 4.612 -9.318 1.00 0.00 H new ATOM 133 N ILE A 9 2.407 2.146 -11.086 1.00 0.00 N ATOM 134 CA ILE A 9 2.811 0.767 -11.332 1.00 0.00 C ATOM 135 C ILE A 9 4.334 0.635 -11.302 1.00 0.00 C ATOM 136 O ILE A 9 5.034 1.212 -12.133 1.00 0.00 O ATOM 137 CB ILE A 9 2.259 0.258 -12.689 1.00 0.00 C ATOM 138 CG1 ILE A 9 0.935 -0.481 -12.474 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.262 -0.645 -13.400 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.087 -1.795 -11.738 1.00 0.00 C ATOM 0 H ILE A 9 2.356 2.726 -11.923 1.00 0.00 H new ATOM 0 HA ILE A 9 2.391 0.152 -10.537 1.00 0.00 H new ATOM 0 HB ILE A 9 2.086 1.125 -13.327 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.256 0.163 -11.915 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.472 -0.668 -13.443 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.840 -0.982 -14.347 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.181 -0.090 -13.589 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.482 -1.509 -12.773 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.109 -2.262 -11.622 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.740 -2.457 -12.306 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.521 -1.613 -10.755 1.00 0.00 H new ATOM 152 N PHE A 10 4.835 -0.131 -10.338 1.00 0.00 N ATOM 153 CA PHE A 10 6.270 -0.344 -10.198 1.00 0.00 C ATOM 154 C PHE A 10 6.758 -1.372 -11.213 1.00 0.00 C ATOM 155 O PHE A 10 6.531 -2.571 -11.051 1.00 0.00 O ATOM 156 CB PHE A 10 6.603 -0.815 -8.779 1.00 0.00 C ATOM 157 CG PHE A 10 6.526 0.268 -7.734 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.748 1.402 -7.931 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.230 0.147 -6.547 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.679 2.388 -6.966 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.165 1.131 -5.580 1.00 0.00 C ATOM 162 CZ PHE A 10 6.388 2.253 -5.789 1.00 0.00 C ATOM 0 H PHE A 10 4.267 -0.615 -9.642 1.00 0.00 H new ATOM 0 HA PHE A 10 6.777 0.603 -10.385 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.919 -1.618 -8.505 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.608 -1.237 -8.775 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.191 1.514 -8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.838 -0.729 -6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.070 3.265 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.722 1.023 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.335 3.023 -5.034 1.00 0.00 H new ATOM 172 N THR A 11 7.422 -0.895 -12.261 1.00 0.00 N ATOM 173 CA THR A 11 7.933 -1.777 -13.303 1.00 0.00 C ATOM 174 C THR A 11 9.326 -2.280 -12.963 1.00 0.00 C ATOM 175 O THR A 11 10.310 -1.540 -13.052 1.00 0.00 O ATOM 176 CB THR A 11 7.949 -1.057 -14.652 1.00 0.00 C ATOM 177 OG1 THR A 11 8.256 0.316 -14.485 1.00 0.00 O ATOM 178 CG2 THR A 11 6.632 -1.145 -15.392 1.00 0.00 C ATOM 0 H THR A 11 7.618 0.095 -12.411 1.00 0.00 H new ATOM 0 HA THR A 11 7.267 -2.637 -13.368 1.00 0.00 H new ATOM 0 HB THR A 11 8.714 -1.564 -15.240 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.263 0.758 -15.359 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.711 -0.614 -16.341 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.390 -2.191 -15.581 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.845 -0.694 -14.788 1.00 0.00 H new ATOM 186 N LEU A 12 9.397 -3.549 -12.574 1.00 0.00 N ATOM 187 CA LEU A 12 10.662 -4.172 -12.216 1.00 0.00 C ATOM 188 C LEU A 12 11.359 -3.380 -11.118 1.00 0.00 C ATOM 189 O LEU A 12 11.377 -2.150 -11.138 1.00 0.00 O ATOM 190 CB LEU A 12 11.579 -4.287 -13.442 1.00 0.00 C ATOM 191 CG LEU A 12 10.887 -4.160 -14.805 1.00 0.00 C ATOM 192 CD1 LEU A 12 11.872 -4.432 -15.931 1.00 0.00 C ATOM 193 CD2 LEU A 12 9.696 -5.105 -14.896 1.00 0.00 C ATOM 0 H LEU A 12 8.589 -4.166 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 12 10.449 -5.174 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.347 -3.517 -13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.089 -5.250 -13.402 1.00 0.00 H new ATOM 0 HG LEU A 12 10.520 -3.139 -14.907 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.363 -4.337 -16.890 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.689 -3.713 -15.881 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.271 -5.441 -15.830 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.220 -4.998 -15.871 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.036 -6.133 -14.769 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.978 -4.861 -14.113 1.00 0.00 H new ATOM 205 N LYS A 13 11.938 -4.089 -10.162 1.00 0.00 N ATOM 206 CA LYS A 13 12.644 -3.443 -9.058 1.00 0.00 C ATOM 207 C LYS A 13 13.583 -2.352 -9.576 1.00 0.00 C ATOM 208 O LYS A 13 13.906 -1.406 -8.858 1.00 0.00 O ATOM 209 CB LYS A 13 13.433 -4.473 -8.245 1.00 0.00 C ATOM 210 CG LYS A 13 14.139 -5.518 -9.094 1.00 0.00 C ATOM 211 CD LYS A 13 15.022 -6.419 -8.245 1.00 0.00 C ATOM 212 CE LYS A 13 14.228 -7.101 -7.141 1.00 0.00 C ATOM 213 NZ LYS A 13 12.971 -7.711 -7.656 1.00 0.00 N ATOM 0 H LYS A 13 11.935 -5.108 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 13 11.900 -2.980 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.173 -3.952 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.753 -4.976 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.399 -6.122 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.745 -5.023 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.488 -7.174 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.827 -5.831 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.842 -7.872 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.987 -6.374 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.809 -8.623 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.172 -7.074 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.053 -7.862 -8.682 1.00 0.00 H new ATOM 227 N ASP A 14 14.008 -2.488 -10.832 1.00 0.00 N ATOM 228 CA ASP A 14 14.897 -1.513 -11.453 1.00 0.00 C ATOM 229 C ASP A 14 14.320 -0.102 -11.352 1.00 0.00 C ATOM 230 O ASP A 14 15.047 0.850 -11.074 1.00 0.00 O ATOM 231 CB ASP A 14 15.142 -1.873 -12.919 1.00 0.00 C ATOM 232 CG ASP A 14 16.417 -1.257 -13.460 1.00 0.00 C ATOM 233 OD1 ASP A 14 16.363 -0.104 -13.939 1.00 0.00 O ATOM 234 OD2 ASP A 14 17.469 -1.927 -13.405 1.00 0.00 O ATOM 0 H ASP A 14 13.749 -3.266 -11.438 1.00 0.00 H new ATOM 0 HA ASP A 14 15.846 -1.535 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.194 -2.957 -13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.296 -1.537 -13.519 1.00 0.00 H new ATOM 239 N LEU A 15 13.013 0.028 -11.585 1.00 0.00 N ATOM 240 CA LEU A 15 12.350 1.327 -11.511 1.00 0.00 C ATOM 241 C LEU A 15 11.602 1.487 -10.184 1.00 0.00 C ATOM 242 O LEU A 15 10.386 1.305 -10.128 1.00 0.00 O ATOM 243 CB LEU A 15 11.384 1.496 -12.687 1.00 0.00 C ATOM 244 CG LEU A 15 11.900 2.367 -13.837 1.00 0.00 C ATOM 245 CD1 LEU A 15 13.325 1.979 -14.208 1.00 0.00 C ATOM 246 CD2 LEU A 15 10.983 2.249 -15.045 1.00 0.00 C ATOM 0 H LEU A 15 12.396 -0.748 -11.825 1.00 0.00 H new ATOM 0 HA LEU A 15 13.114 2.102 -11.566 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.141 0.509 -13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.455 1.928 -12.314 1.00 0.00 H new ATOM 0 HG LEU A 15 11.904 3.406 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.672 2.609 -15.027 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.976 2.115 -13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.348 0.935 -14.519 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.364 2.874 -15.853 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.948 1.211 -15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.980 2.578 -14.774 1.00 0.00 H new ATOM 258 N PRO A 16 12.316 1.821 -9.092 1.00 0.00 N ATOM 259 CA PRO A 16 11.707 1.993 -7.764 1.00 0.00 C ATOM 260 C PRO A 16 10.852 3.252 -7.652 1.00 0.00 C ATOM 261 O PRO A 16 11.058 4.074 -6.760 1.00 0.00 O ATOM 262 CB PRO A 16 12.914 2.102 -6.838 1.00 0.00 C ATOM 263 CG PRO A 16 13.997 2.645 -7.699 1.00 0.00 C ATOM 264 CD PRO A 16 13.774 2.046 -9.057 1.00 0.00 C ATOM 0 HA PRO A 16 11.028 1.173 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.709 2.762 -5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.185 1.131 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.956 3.733 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.979 2.377 -7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.097 2.719 -9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 16 14.328 1.116 -9.183 1.00 0.00 H new ATOM 272 N GLU A 17 9.889 3.387 -8.551 1.00 0.00 N ATOM 273 CA GLU A 17 8.992 4.540 -8.553 1.00 0.00 C ATOM 274 C GLU A 17 9.758 5.841 -8.774 1.00 0.00 C ATOM 275 O GLU A 17 9.669 6.450 -9.839 1.00 0.00 O ATOM 276 CB GLU A 17 8.215 4.611 -7.237 1.00 0.00 C ATOM 277 CG GLU A 17 6.795 5.132 -7.396 1.00 0.00 C ATOM 278 CD GLU A 17 6.733 6.646 -7.451 1.00 0.00 C ATOM 279 OE1 GLU A 17 7.490 7.299 -6.703 1.00 0.00 O ATOM 280 OE2 GLU A 17 5.928 7.178 -8.243 1.00 0.00 O ATOM 0 H GLU A 17 9.706 2.711 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 17 8.292 4.414 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.181 3.617 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.753 5.254 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.361 4.721 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.186 4.777 -6.564 1.00 0.00 H new ATOM 287 N GLU A 18 10.505 6.268 -7.759 1.00 0.00 N ATOM 288 CA GLU A 18 11.275 7.504 -7.846 1.00 0.00 C ATOM 289 C GLU A 18 12.729 7.289 -7.445 1.00 0.00 C ATOM 290 O GLU A 18 13.638 7.886 -8.020 1.00 0.00 O ATOM 291 CB GLU A 18 10.644 8.581 -6.963 1.00 0.00 C ATOM 292 CG GLU A 18 11.058 9.993 -7.340 1.00 0.00 C ATOM 293 CD GLU A 18 11.891 10.663 -6.265 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.588 10.467 -5.070 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.848 11.384 -6.619 1.00 0.00 O ATOM 0 H GLU A 18 10.593 5.777 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 18 11.259 7.832 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.559 8.500 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.919 8.395 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.626 9.965 -8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.166 10.591 -7.529 1.00 0.00 H new ATOM 302 N PHE A 19 12.938 6.436 -6.456 1.00 0.00 N ATOM 303 CA PHE A 19 14.284 6.142 -5.974 1.00 0.00 C ATOM 304 C PHE A 19 14.281 4.955 -5.012 1.00 0.00 C ATOM 305 O PHE A 19 14.769 3.876 -5.346 1.00 0.00 O ATOM 306 CB PHE A 19 14.882 7.371 -5.285 1.00 0.00 C ATOM 307 CG PHE A 19 16.379 7.449 -5.387 1.00 0.00 C ATOM 308 CD1 PHE A 19 17.000 7.502 -6.624 1.00 0.00 C ATOM 309 CD2 PHE A 19 17.163 7.470 -4.245 1.00 0.00 C ATOM 310 CE1 PHE A 19 18.378 7.575 -6.721 1.00 0.00 C ATOM 311 CE2 PHE A 19 18.540 7.543 -4.335 1.00 0.00 C ATOM 312 CZ PHE A 19 19.148 7.596 -5.575 1.00 0.00 C ATOM 0 H PHE A 19 12.196 5.934 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 19 14.898 5.880 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.449 8.270 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.598 7.361 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.402 7.486 -7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 19 16.693 7.429 -3.274 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.851 7.615 -7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 19 19.140 7.559 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 19 20.224 7.654 -5.648 1.00 0.00 H new ATOM 322 N ARG A 20 13.731 5.162 -3.820 1.00 0.00 N ATOM 323 CA ARG A 20 13.670 4.107 -2.814 1.00 0.00 C ATOM 324 C ARG A 20 12.230 3.869 -2.359 1.00 0.00 C ATOM 325 O ARG A 20 11.625 4.728 -1.720 1.00 0.00 O ATOM 326 CB ARG A 20 14.546 4.474 -1.612 1.00 0.00 C ATOM 327 CG ARG A 20 15.642 3.461 -1.326 1.00 0.00 C ATOM 328 CD ARG A 20 16.617 3.351 -2.488 1.00 0.00 C ATOM 329 NE ARG A 20 17.706 2.420 -2.202 1.00 0.00 N ATOM 330 CZ ARG A 20 18.576 1.995 -3.115 1.00 0.00 C ATOM 331 NH1 ARG A 20 18.490 2.415 -4.372 1.00 0.00 N ATOM 332 NH2 ARG A 20 19.535 1.146 -2.772 1.00 0.00 N ATOM 0 H ARG A 20 13.322 6.049 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 20 14.044 3.187 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.001 5.449 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.914 4.572 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.181 3.751 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.196 2.486 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.083 3.022 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.030 4.335 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 20 17.805 2.076 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.754 3.067 -4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.160 2.085 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.606 0.819 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.202 0.820 -3.472 1.00 0.00 H new ATOM 346 N PRO A 21 11.657 2.696 -2.688 1.00 0.00 N ATOM 347 CA PRO A 21 10.292 2.351 -2.321 1.00 0.00 C ATOM 348 C PRO A 21 10.217 1.584 -1.005 1.00 0.00 C ATOM 349 O PRO A 21 11.240 1.286 -0.389 1.00 0.00 O ATOM 350 CB PRO A 21 9.865 1.460 -3.483 1.00 0.00 C ATOM 351 CG PRO A 21 11.118 0.768 -3.922 1.00 0.00 C ATOM 352 CD PRO A 21 12.288 1.608 -3.452 1.00 0.00 C ATOM 0 HA PRO A 21 9.664 3.228 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.106 0.742 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.434 2.048 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.171 -0.235 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.136 0.658 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.972 1.029 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.867 1.993 -4.292 1.00 0.00 H new ATOM 360 N PHE A 22 8.999 1.259 -0.586 1.00 0.00 N ATOM 361 CA PHE A 22 8.790 0.516 0.651 1.00 0.00 C ATOM 362 C PHE A 22 8.742 -0.985 0.375 1.00 0.00 C ATOM 363 O PHE A 22 9.098 -1.796 1.229 1.00 0.00 O ATOM 364 CB PHE A 22 7.492 0.963 1.329 1.00 0.00 C ATOM 365 CG PHE A 22 7.506 2.399 1.769 1.00 0.00 C ATOM 366 CD1 PHE A 22 7.192 3.414 0.879 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.833 2.735 3.073 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.203 4.737 1.281 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.846 4.055 3.482 1.00 0.00 C ATOM 370 CZ PHE A 22 7.530 5.058 2.584 1.00 0.00 C ATOM 0 H PHE A 22 8.142 1.498 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 22 9.627 0.722 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.661 0.811 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.307 0.328 2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.936 3.169 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.081 1.956 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.956 5.518 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.103 4.303 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.539 6.090 2.901 1.00 0.00 H new ATOM 380 N VAL A 23 8.302 -1.343 -0.829 1.00 0.00 N ATOM 381 CA VAL A 23 8.208 -2.743 -1.226 1.00 0.00 C ATOM 382 C VAL A 23 9.586 -3.345 -1.491 1.00 0.00 C ATOM 383 O VAL A 23 9.730 -4.562 -1.592 1.00 0.00 O ATOM 384 CB VAL A 23 7.343 -2.910 -2.490 1.00 0.00 C ATOM 385 CG1 VAL A 23 5.871 -2.710 -2.165 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.794 -1.944 -3.575 1.00 0.00 C ATOM 0 H VAL A 23 8.005 -0.681 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 23 7.741 -3.270 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 23 7.471 -3.926 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.278 -2.832 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.558 -3.447 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.720 -1.707 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.172 -2.076 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.698 -0.920 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.835 -2.143 -3.830 1.00 0.00 H new ATOM 396 N ASP A 24 10.599 -2.488 -1.608 1.00 0.00 N ATOM 397 CA ASP A 24 11.962 -2.944 -1.863 1.00 0.00 C ATOM 398 C ASP A 24 12.352 -4.065 -0.905 1.00 0.00 C ATOM 399 O ASP A 24 13.037 -5.012 -1.290 1.00 0.00 O ATOM 400 CB ASP A 24 12.946 -1.780 -1.739 1.00 0.00 C ATOM 401 CG ASP A 24 12.987 -1.204 -0.336 1.00 0.00 C ATOM 402 OD1 ASP A 24 11.917 -1.122 0.303 1.00 0.00 O ATOM 403 OD2 ASP A 24 14.089 -0.839 0.123 1.00 0.00 O ATOM 0 H ASP A 24 10.501 -1.476 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 24 12.002 -3.334 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.943 -2.120 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.667 -0.996 -2.443 1.00 0.00 H new ATOM 408 N TYR A 25 11.905 -3.954 0.341 1.00 0.00 N ATOM 409 CA TYR A 25 12.205 -4.967 1.344 1.00 0.00 C ATOM 410 C TYR A 25 11.660 -6.325 0.910 1.00 0.00 C ATOM 411 O TYR A 25 12.178 -7.367 1.309 1.00 0.00 O ATOM 412 CB TYR A 25 11.628 -4.563 2.707 1.00 0.00 C ATOM 413 CG TYR A 25 10.145 -4.828 2.861 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.244 -4.460 1.870 1.00 0.00 C ATOM 415 CD2 TYR A 25 9.648 -5.445 4.002 1.00 0.00 C ATOM 416 CE1 TYR A 25 7.891 -4.700 2.011 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.296 -5.690 4.151 1.00 0.00 C ATOM 418 CZ TYR A 25 7.421 -5.315 3.152 1.00 0.00 C ATOM 419 OH TYR A 25 6.074 -5.555 3.297 1.00 0.00 O ATOM 0 H TYR A 25 11.337 -3.177 0.679 1.00 0.00 H new ATOM 0 HA TYR A 25 13.288 -5.046 1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.164 -5.101 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.814 -3.501 2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.607 -3.978 0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.330 -5.738 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.204 -4.407 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.926 -6.172 5.044 1.00 0.00 H new ATOM 0 HH TYR A 25 5.911 -5.996 4.157 1.00 0.00 H new ATOM 429 N LYS A 26 10.617 -6.303 0.084 1.00 0.00 N ATOM 430 CA LYS A 26 10.008 -7.530 -0.413 1.00 0.00 C ATOM 431 C LYS A 26 10.974 -8.274 -1.327 1.00 0.00 C ATOM 432 O LYS A 26 11.034 -9.504 -1.315 1.00 0.00 O ATOM 433 CB LYS A 26 8.711 -7.214 -1.162 1.00 0.00 C ATOM 434 CG LYS A 26 7.577 -8.180 -0.855 1.00 0.00 C ATOM 435 CD LYS A 26 6.341 -7.868 -1.683 1.00 0.00 C ATOM 436 CE LYS A 26 5.434 -6.871 -0.976 1.00 0.00 C ATOM 437 NZ LYS A 26 4.634 -6.067 -1.940 1.00 0.00 N ATOM 0 H LYS A 26 10.177 -5.447 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 26 9.775 -8.168 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.393 -6.202 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.908 -7.228 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.903 -9.201 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.329 -8.127 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.642 -7.466 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.790 -8.788 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.762 -7.405 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.038 -6.204 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.147 -5.301 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.265 -5.659 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.931 -6.678 -2.402 1.00 0.00 H new ATOM 451 N ALA A 27 11.736 -7.520 -2.116 1.00 0.00 N ATOM 452 CA ALA A 27 12.704 -8.111 -3.029 1.00 0.00 C ATOM 453 C ALA A 27 13.814 -8.816 -2.259 1.00 0.00 C ATOM 454 O ALA A 27 14.416 -9.771 -2.751 1.00 0.00 O ATOM 455 CB ALA A 27 13.287 -7.048 -3.948 1.00 0.00 C ATOM 0 H ALA A 27 11.700 -6.501 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 27 12.188 -8.852 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.009 -7.507 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.486 -6.590 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.784 -6.284 -3.351 1.00 0.00 H new ATOM 461 N GLY A 28 14.079 -8.340 -1.046 1.00 0.00 N ATOM 462 CA GLY A 28 15.116 -8.939 -0.225 1.00 0.00 C ATOM 463 C GLY A 28 14.607 -9.346 1.145 1.00 0.00 C ATOM 464 O GLY A 28 15.366 -9.368 2.114 1.00 0.00 O ATOM 0 H GLY A 28 13.595 -7.551 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.519 -9.814 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.937 -8.232 -0.109 1.00 0.00 H new ATOM 468 N LEU A 29 13.319 -9.664 1.227 1.00 0.00 N ATOM 469 CA LEU A 29 12.709 -10.067 2.492 1.00 0.00 C ATOM 470 C LEU A 29 13.055 -11.510 2.847 1.00 0.00 C ATOM 471 O LEU A 29 12.827 -11.952 3.974 1.00 0.00 O ATOM 472 CB LEU A 29 11.190 -9.899 2.426 1.00 0.00 C ATOM 473 CG LEU A 29 10.532 -9.443 3.729 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.621 -10.536 4.783 1.00 0.00 C ATOM 475 CD2 LEU A 29 11.177 -8.161 4.234 1.00 0.00 C ATOM 0 H LEU A 29 12.677 -9.651 0.434 1.00 0.00 H new ATOM 0 HA LEU A 29 13.111 -9.421 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.953 -9.176 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.747 -10.849 2.126 1.00 0.00 H new ATOM 0 HG LEU A 29 9.479 -9.242 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.148 -10.194 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.111 -11.430 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.668 -10.769 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.695 -7.852 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.238 -8.335 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.061 -7.376 3.486 1.00 0.00 H new ATOM 487 N GLU A 30 13.605 -12.244 1.886 1.00 0.00 N ATOM 488 CA GLU A 30 13.978 -13.636 2.109 1.00 0.00 C ATOM 489 C GLU A 30 14.631 -14.233 0.867 1.00 0.00 C ATOM 490 O GLU A 30 14.298 -15.341 0.447 1.00 0.00 O ATOM 491 CB GLU A 30 12.747 -14.460 2.498 1.00 0.00 C ATOM 492 CG GLU A 30 11.602 -14.349 1.504 1.00 0.00 C ATOM 493 CD GLU A 30 10.243 -14.363 2.176 1.00 0.00 C ATOM 494 OE1 GLU A 30 10.047 -15.180 3.100 1.00 0.00 O ATOM 495 OE2 GLU A 30 9.376 -13.557 1.778 1.00 0.00 O ATOM 0 H GLU A 30 13.802 -11.899 0.947 1.00 0.00 H new ATOM 0 HA GLU A 30 14.700 -13.665 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.036 -15.507 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.398 -14.136 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.711 -13.428 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.661 -15.174 0.794 1.00 0.00 H new ATOM 502 N LYS A 31 15.564 -13.490 0.283 1.00 0.00 N ATOM 503 CA LYS A 31 16.266 -13.944 -0.911 1.00 0.00 C ATOM 504 C LYS A 31 15.293 -14.154 -2.064 1.00 0.00 C ATOM 505 O LYS A 31 15.346 -15.168 -2.761 1.00 0.00 O ATOM 506 CB LYS A 31 17.026 -15.239 -0.623 1.00 0.00 C ATOM 507 CG LYS A 31 18.371 -15.324 -1.326 1.00 0.00 C ATOM 508 CD LYS A 31 18.902 -16.747 -1.345 1.00 0.00 C ATOM 509 CE LYS A 31 18.293 -17.554 -2.479 1.00 0.00 C ATOM 510 NZ LYS A 31 19.083 -18.781 -2.777 1.00 0.00 N ATOM 0 H LYS A 31 15.852 -12.570 0.617 1.00 0.00 H new ATOM 0 HA LYS A 31 16.980 -13.172 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.181 -15.328 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.412 -16.086 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.272 -14.958 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.087 -14.674 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.987 -16.730 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.682 -17.231 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.273 -17.834 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.234 -16.935 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.633 -19.303 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.050 -18.513 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.118 -19.385 -1.931 1.00 0.00 H new ATOM 524 N LYS A 32 14.404 -13.187 -2.262 1.00 0.00 N ATOM 525 CA LYS A 32 13.418 -13.262 -3.334 1.00 0.00 C ATOM 526 C LYS A 32 14.087 -13.191 -4.706 1.00 0.00 C ATOM 527 O LYS A 32 13.462 -13.482 -5.725 1.00 0.00 O ATOM 528 CB LYS A 32 12.394 -12.134 -3.196 1.00 0.00 C ATOM 529 CG LYS A 32 11.174 -12.308 -4.086 1.00 0.00 C ATOM 530 CD LYS A 32 10.488 -13.641 -3.837 1.00 0.00 C ATOM 531 CE LYS A 32 8.982 -13.534 -4.016 1.00 0.00 C ATOM 532 NZ LYS A 32 8.397 -12.456 -3.171 1.00 0.00 N ATOM 0 H LYS A 32 14.346 -12.342 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 32 12.907 -14.221 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.070 -12.074 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.876 -11.186 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.470 -11.496 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.473 -12.241 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.885 -14.389 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.712 -13.984 -2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.754 -13.338 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.518 -14.487 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.434 -12.724 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.986 -12.320 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.362 -11.570 -3.714 1.00 0.00 H new ATOM 546 N LYS A 33 15.363 -12.803 -4.727 1.00 0.00 N ATOM 547 CA LYS A 33 16.111 -12.694 -5.975 1.00 0.00 C ATOM 548 C LYS A 33 15.643 -11.491 -6.786 1.00 0.00 C ATOM 549 O LYS A 33 14.547 -10.974 -6.573 1.00 0.00 O ATOM 550 CB LYS A 33 15.967 -13.975 -6.802 1.00 0.00 C ATOM 551 CG LYS A 33 17.170 -14.268 -7.683 1.00 0.00 C ATOM 552 CD LYS A 33 17.376 -15.764 -7.868 1.00 0.00 C ATOM 553 CE LYS A 33 16.870 -16.237 -9.222 1.00 0.00 C ATOM 554 NZ LYS A 33 15.962 -17.410 -9.097 1.00 0.00 N ATOM 0 H LYS A 33 15.898 -12.560 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 33 17.163 -12.554 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.807 -14.817 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.079 -13.895 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.033 -13.796 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.063 -13.829 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.436 -16.000 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.857 -16.304 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.343 -15.422 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.718 -16.500 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.639 -17.701 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.472 -18.197 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.140 -17.152 -8.515 1.00 0.00 H new ATOM 568 N LEU A 34 16.485 -11.050 -7.715 1.00 0.00 N ATOM 569 CA LEU A 34 16.161 -9.905 -8.559 1.00 0.00 C ATOM 570 C LEU A 34 15.205 -10.309 -9.676 1.00 0.00 C ATOM 571 O LEU A 34 15.632 -10.757 -10.740 1.00 0.00 O ATOM 572 CB LEU A 34 17.437 -9.305 -9.156 1.00 0.00 C ATOM 573 CG LEU A 34 18.392 -8.657 -8.150 1.00 0.00 C ATOM 574 CD1 LEU A 34 17.724 -7.479 -7.458 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.867 -9.677 -7.126 1.00 0.00 C ATOM 0 H LEU A 34 17.396 -11.468 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 34 15.672 -9.154 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.974 -10.091 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.154 -8.557 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 34 19.261 -8.288 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.419 -7.033 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.437 -6.735 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.836 -7.824 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.545 -9.196 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.009 -10.079 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.389 -10.488 -7.635 1.00 0.00 H new ATOM 587 N SER A 35 13.908 -10.146 -9.431 1.00 0.00 N ATOM 588 CA SER A 35 12.894 -10.493 -10.418 1.00 0.00 C ATOM 589 C SER A 35 12.628 -9.320 -11.355 1.00 0.00 C ATOM 590 O SER A 35 11.717 -8.525 -11.126 1.00 0.00 O ATOM 591 CB SER A 35 11.598 -10.914 -9.724 1.00 0.00 C ATOM 592 OG SER A 35 11.354 -10.124 -8.574 1.00 0.00 O ATOM 0 H SER A 35 13.536 -9.776 -8.557 1.00 0.00 H new ATOM 0 HA SER A 35 13.267 -11.330 -11.009 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.763 -10.819 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.659 -11.965 -9.441 1.00 0.00 H new ATOM 0 HG SER A 35 10.872 -10.657 -7.907 1.00 0.00 H new ATOM 598 N ASP A 36 13.428 -9.220 -12.409 1.00 0.00 N ATOM 599 CA ASP A 36 13.279 -8.145 -13.382 1.00 0.00 C ATOM 600 C ASP A 36 11.894 -8.169 -14.023 1.00 0.00 C ATOM 601 O ASP A 36 11.442 -7.167 -14.576 1.00 0.00 O ATOM 602 CB ASP A 36 14.355 -8.258 -14.464 1.00 0.00 C ATOM 603 CG ASP A 36 14.363 -9.621 -15.129 1.00 0.00 C ATOM 604 OD1 ASP A 36 14.583 -10.626 -14.420 1.00 0.00 O ATOM 605 OD2 ASP A 36 14.149 -9.683 -16.358 1.00 0.00 O ATOM 0 H ASP A 36 14.187 -9.870 -12.612 1.00 0.00 H new ATOM 0 HA ASP A 36 13.396 -7.198 -12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.190 -7.489 -15.219 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.333 -8.066 -14.022 1.00 0.00 H new ATOM 610 N ASP A 37 11.225 -9.317 -13.952 1.00 0.00 N ATOM 611 CA ASP A 37 9.895 -9.460 -14.532 1.00 0.00 C ATOM 612 C ASP A 37 8.800 -9.305 -13.476 1.00 0.00 C ATOM 613 O ASP A 37 7.620 -9.497 -13.768 1.00 0.00 O ATOM 614 CB ASP A 37 9.764 -10.822 -15.219 1.00 0.00 C ATOM 615 CG ASP A 37 8.938 -10.751 -16.487 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.913 -9.675 -17.121 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.314 -11.772 -16.847 1.00 0.00 O ATOM 0 H ASP A 37 11.582 -10.159 -13.500 1.00 0.00 H new ATOM 0 HA ASP A 37 9.768 -8.666 -15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.757 -11.203 -15.456 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.306 -11.531 -14.529 1.00 0.00 H new ATOM 622 N ASP A 38 9.189 -8.959 -12.251 1.00 0.00 N ATOM 623 CA ASP A 38 8.226 -8.784 -11.169 1.00 0.00 C ATOM 624 C ASP A 38 7.683 -7.359 -11.146 1.00 0.00 C ATOM 625 O ASP A 38 8.316 -6.432 -11.654 1.00 0.00 O ATOM 626 CB ASP A 38 8.870 -9.123 -9.824 1.00 0.00 C ATOM 627 CG ASP A 38 8.525 -10.522 -9.355 1.00 0.00 C ATOM 628 OD1 ASP A 38 8.232 -11.381 -10.213 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.546 -10.760 -8.129 1.00 0.00 O ATOM 0 H ASP A 38 10.160 -8.795 -11.985 1.00 0.00 H new ATOM 0 HA ASP A 38 7.393 -9.465 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.953 -9.028 -9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.544 -8.401 -9.076 1.00 0.00 H new ATOM 634 N GLU A 39 6.504 -7.192 -10.554 1.00 0.00 N ATOM 635 CA GLU A 39 5.873 -5.881 -10.466 1.00 0.00 C ATOM 636 C GLU A 39 5.085 -5.741 -9.167 1.00 0.00 C ATOM 637 O GLU A 39 4.715 -6.735 -8.543 1.00 0.00 O ATOM 638 CB GLU A 39 4.948 -5.658 -11.662 1.00 0.00 C ATOM 639 CG GLU A 39 5.682 -5.564 -12.989 1.00 0.00 C ATOM 640 CD GLU A 39 4.752 -5.686 -14.181 1.00 0.00 C ATOM 641 OE1 GLU A 39 4.122 -4.672 -14.548 1.00 0.00 O ATOM 642 OE2 GLU A 39 4.654 -6.796 -14.746 1.00 0.00 O ATOM 0 H GLU A 39 5.967 -7.948 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 39 6.659 -5.126 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.228 -6.475 -11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.379 -4.741 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.210 -4.612 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.436 -6.350 -13.039 1.00 0.00 H new ATOM 649 N ILE A 40 4.834 -4.499 -8.766 1.00 0.00 N ATOM 650 CA ILE A 40 4.091 -4.230 -7.542 1.00 0.00 C ATOM 651 C ILE A 40 3.257 -2.960 -7.670 1.00 0.00 C ATOM 652 O ILE A 40 3.795 -1.868 -7.854 1.00 0.00 O ATOM 653 CB ILE A 40 5.035 -4.090 -6.332 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.023 -5.259 -6.295 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.236 -4.017 -5.040 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.014 -5.180 -5.155 1.00 0.00 C ATOM 0 H ILE A 40 5.134 -3.665 -9.270 1.00 0.00 H new ATOM 0 HA ILE A 40 3.429 -5.081 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 40 5.601 -3.164 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.465 -6.192 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.569 -5.292 -7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.918 -3.918 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.571 -3.154 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.646 -4.926 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.681 -6.041 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.598 -4.264 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.478 -5.178 -4.206 1.00 0.00 H new ATOM 668 N ALA A 41 1.941 -3.111 -7.573 1.00 0.00 N ATOM 669 CA ALA A 41 1.032 -1.977 -7.678 1.00 0.00 C ATOM 670 C ALA A 41 0.869 -1.279 -6.332 1.00 0.00 C ATOM 671 O ALA A 41 0.552 -1.915 -5.327 1.00 0.00 O ATOM 672 CB ALA A 41 -0.320 -2.432 -8.207 1.00 0.00 C ATOM 0 H ALA A 41 1.480 -4.008 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 41 1.461 -1.261 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.989 -1.575 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.193 -2.879 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.748 -3.169 -7.527 1.00 0.00 H new ATOM 678 N ILE A 42 1.090 0.031 -6.321 1.00 0.00 N ATOM 679 CA ILE A 42 0.968 0.819 -5.099 1.00 0.00 C ATOM 680 C ILE A 42 -0.195 1.801 -5.195 1.00 0.00 C ATOM 681 O ILE A 42 -0.180 2.718 -6.017 1.00 0.00 O ATOM 682 CB ILE A 42 2.264 1.600 -4.805 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.474 0.666 -4.866 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.179 2.281 -3.447 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.463 -0.410 -3.801 1.00 0.00 C ATOM 0 H ILE A 42 1.355 0.570 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 42 0.782 0.119 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 42 2.386 2.370 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.509 0.194 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.384 1.257 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.102 2.828 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.338 2.975 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.035 1.529 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.350 -1.034 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.460 0.054 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.571 -1.026 -3.915 1.00 0.00 H new ATOM 697 N ILE A 43 -1.202 1.603 -4.350 1.00 0.00 N ATOM 698 CA ILE A 43 -2.373 2.472 -4.340 1.00 0.00 C ATOM 699 C ILE A 43 -2.289 3.495 -3.213 1.00 0.00 C ATOM 700 O ILE A 43 -2.446 3.156 -2.040 1.00 0.00 O ATOM 701 CB ILE A 43 -3.675 1.661 -4.186 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.701 0.501 -5.181 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.885 2.562 -4.382 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.644 0.944 -6.627 1.00 0.00 C ATOM 0 H ILE A 43 -1.230 0.849 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.389 2.991 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.712 1.249 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.858 -0.160 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.608 -0.082 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.797 1.976 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.871 3.357 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.855 3.000 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.666 0.069 -7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.501 1.581 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.724 1.502 -6.801 1.00 0.00 H new ATOM 716 N SER A 44 -2.040 4.749 -3.576 1.00 0.00 N ATOM 717 CA SER A 44 -1.935 5.823 -2.596 1.00 0.00 C ATOM 718 C SER A 44 -3.266 6.554 -2.448 1.00 0.00 C ATOM 719 O SER A 44 -3.696 7.273 -3.351 1.00 0.00 O ATOM 720 CB SER A 44 -0.838 6.809 -3.001 1.00 0.00 C ATOM 721 OG SER A 44 -0.985 8.046 -2.323 1.00 0.00 O ATOM 0 H SER A 44 -1.907 5.046 -4.543 1.00 0.00 H new ATOM 0 HA SER A 44 -1.675 5.380 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.139 6.382 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.874 6.975 -4.078 1.00 0.00 H new ATOM 0 HG SER A 44 -0.130 8.301 -1.918 1.00 0.00 H new ATOM 727 N ILE A 45 -3.914 6.364 -1.303 1.00 0.00 N ATOM 728 CA ILE A 45 -5.195 7.003 -1.032 1.00 0.00 C ATOM 729 C ILE A 45 -5.382 7.231 0.466 1.00 0.00 C ATOM 730 O ILE A 45 -4.441 7.082 1.245 1.00 0.00 O ATOM 731 CB ILE A 45 -6.367 6.157 -1.574 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.418 4.796 -0.874 1.00 0.00 C ATOM 733 CG2 ILE A 45 -6.236 5.978 -3.079 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.712 4.046 -1.104 1.00 0.00 C ATOM 0 H ILE A 45 -3.571 5.771 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.192 7.966 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.299 6.683 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.586 4.185 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.277 4.942 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.069 5.380 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.248 6.954 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.297 5.472 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.678 3.091 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.547 4.637 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.845 3.868 -2.171 1.00 0.00 H new ATOM 746 N LYS A 46 -6.600 7.595 0.865 1.00 0.00 N ATOM 747 CA LYS A 46 -6.904 7.844 2.272 1.00 0.00 C ATOM 748 C LYS A 46 -6.347 6.732 3.160 1.00 0.00 C ATOM 749 O LYS A 46 -5.315 6.905 3.809 1.00 0.00 O ATOM 750 CB LYS A 46 -8.418 7.970 2.472 1.00 0.00 C ATOM 751 CG LYS A 46 -8.838 9.282 3.114 1.00 0.00 C ATOM 752 CD LYS A 46 -10.147 9.134 3.877 1.00 0.00 C ATOM 753 CE LYS A 46 -11.311 9.737 3.107 1.00 0.00 C ATOM 754 NZ LYS A 46 -11.898 8.770 2.139 1.00 0.00 N ATOM 0 H LYS A 46 -7.391 7.724 0.234 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.427 8.781 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.913 7.872 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.764 7.144 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.056 9.623 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.948 10.046 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.342 8.078 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.060 9.621 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.080 10.061 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.972 10.625 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.688 9.220 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.171 8.480 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.245 7.934 2.651 1.00 0.00 H new ATOM 768 N GLY A 47 -7.035 5.591 3.181 1.00 0.00 N ATOM 769 CA GLY A 47 -6.595 4.464 3.989 1.00 0.00 C ATOM 770 C GLY A 47 -6.140 4.874 5.377 1.00 0.00 C ATOM 771 O GLY A 47 -5.162 4.339 5.901 1.00 0.00 O ATOM 0 H GLY A 47 -7.891 5.427 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.411 3.746 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.777 3.956 3.479 1.00 0.00 H new ATOM 775 N THR A 48 -6.846 5.832 5.972 1.00 0.00 N ATOM 776 CA THR A 48 -6.509 6.321 7.306 1.00 0.00 C ATOM 777 C THR A 48 -5.032 6.701 7.391 1.00 0.00 C ATOM 778 O THR A 48 -4.310 6.239 8.276 1.00 0.00 O ATOM 779 CB THR A 48 -6.843 5.269 8.367 1.00 0.00 C ATOM 780 OG1 THR A 48 -6.660 3.960 7.856 1.00 0.00 O ATOM 781 CG2 THR A 48 -8.264 5.368 8.879 1.00 0.00 C ATOM 0 H THR A 48 -7.656 6.286 5.550 1.00 0.00 H new ATOM 0 HA THR A 48 -7.106 7.213 7.496 1.00 0.00 H new ATOM 0 HB THR A 48 -6.160 5.467 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.741 3.861 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.436 4.595 9.628 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.422 6.349 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.959 5.232 8.051 1.00 0.00 H new ATOM 789 N GLN A 49 -4.590 7.544 6.463 1.00 0.00 N ATOM 790 CA GLN A 49 -3.201 7.988 6.427 1.00 0.00 C ATOM 791 C GLN A 49 -2.266 6.818 6.133 1.00 0.00 C ATOM 792 O GLN A 49 -1.470 6.416 6.982 1.00 0.00 O ATOM 793 CB GLN A 49 -2.817 8.646 7.755 1.00 0.00 C ATOM 794 CG GLN A 49 -1.532 9.454 7.686 1.00 0.00 C ATOM 795 CD GLN A 49 -1.133 10.027 9.031 1.00 0.00 C ATOM 796 OE1 GLN A 49 -1.610 11.088 9.434 1.00 0.00 O ATOM 797 NE2 GLN A 49 -0.252 9.326 9.735 1.00 0.00 N ATOM 0 H GLN A 49 -5.175 7.934 5.724 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.099 8.721 5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.629 9.298 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.710 7.873 8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.728 8.820 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.656 10.267 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.118 8.451 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.055 9.662 10.648 1.00 0.00 H new ATOM 806 N SER A 50 -2.369 6.275 4.924 1.00 0.00 N ATOM 807 CA SER A 50 -1.534 5.150 4.517 1.00 0.00 C ATOM 808 C SER A 50 -1.807 4.763 3.068 1.00 0.00 C ATOM 809 O SER A 50 -2.784 5.213 2.468 1.00 0.00 O ATOM 810 CB SER A 50 -1.778 3.949 5.432 1.00 0.00 C ATOM 811 OG SER A 50 -0.621 3.135 5.527 1.00 0.00 O ATOM 0 H SER A 50 -3.022 6.596 4.209 1.00 0.00 H new ATOM 0 HA SER A 50 -0.491 5.457 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.064 4.297 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.611 3.359 5.049 1.00 0.00 H new ATOM 0 HG SER A 50 -0.803 2.375 6.119 1.00 0.00 H new ATOM 817 N ASN A 51 -0.938 3.925 2.512 1.00 0.00 N ATOM 818 CA ASN A 51 -1.086 3.473 1.133 1.00 0.00 C ATOM 819 C ASN A 51 -1.236 1.956 1.072 1.00 0.00 C ATOM 820 O ASN A 51 -0.533 1.227 1.770 1.00 0.00 O ATOM 821 CB ASN A 51 0.122 3.910 0.298 1.00 0.00 C ATOM 822 CG ASN A 51 1.439 3.578 0.970 1.00 0.00 C ATOM 823 OD1 ASN A 51 2.079 2.578 0.648 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.852 4.418 1.912 1.00 0.00 N ATOM 0 H ASN A 51 -0.124 3.545 2.995 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.988 3.928 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.082 3.424 -0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.068 4.984 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.731 4.245 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.290 5.236 2.148 1.00 0.00 H new ATOM 831 N HIS A 52 -2.157 1.490 0.237 1.00 0.00 N ATOM 832 CA HIS A 52 -2.398 0.060 0.089 1.00 0.00 C ATOM 833 C HIS A 52 -1.507 -0.534 -0.998 1.00 0.00 C ATOM 834 O HIS A 52 -1.485 -0.050 -2.129 1.00 0.00 O ATOM 835 CB HIS A 52 -3.868 -0.200 -0.242 1.00 0.00 C ATOM 836 CG HIS A 52 -4.821 0.462 0.705 1.00 0.00 C ATOM 837 ND1 HIS A 52 -6.039 0.975 0.313 1.00 0.00 N ATOM 838 CD2 HIS A 52 -4.728 0.693 2.037 1.00 0.00 C ATOM 839 CE1 HIS A 52 -6.653 1.494 1.361 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.880 1.336 2.418 1.00 0.00 N ATOM 0 H HIS A 52 -2.749 2.081 -0.347 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.155 -0.423 1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.072 0.151 -1.254 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.049 -1.275 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.903 0.422 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.624 1.968 1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.102 1.642 3.365 1.00 0.00 H new ATOM 849 N VAL A 53 -0.773 -1.585 -0.644 1.00 0.00 N ATOM 850 CA VAL A 53 0.121 -2.245 -1.589 1.00 0.00 C ATOM 851 C VAL A 53 -0.414 -3.619 -1.982 1.00 0.00 C ATOM 852 O VAL A 53 -0.987 -4.331 -1.159 1.00 0.00 O ATOM 853 CB VAL A 53 1.539 -2.400 -1.004 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.523 -3.295 0.227 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.498 -2.942 -2.055 1.00 0.00 C ATOM 0 H VAL A 53 -0.780 -1.997 0.289 1.00 0.00 H new ATOM 0 HA VAL A 53 0.171 -1.613 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 53 1.890 -1.414 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.535 -3.389 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.876 -2.857 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.146 -4.281 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.493 -3.044 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.150 -3.917 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.539 -2.254 -2.900 1.00 0.00 H new ATOM 865 N LEU A 54 -0.224 -3.984 -3.247 1.00 0.00 N ATOM 866 CA LEU A 54 -0.688 -5.273 -3.749 1.00 0.00 C ATOM 867 C LEU A 54 0.320 -5.873 -4.723 1.00 0.00 C ATOM 868 O LEU A 54 0.639 -5.273 -5.750 1.00 0.00 O ATOM 869 CB LEU A 54 -2.047 -5.118 -4.434 1.00 0.00 C ATOM 870 CG LEU A 54 -3.246 -5.069 -3.485 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.305 -4.111 -4.010 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.830 -6.460 -3.297 1.00 0.00 C ATOM 0 H LEU A 54 0.248 -3.406 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.792 -5.949 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.036 -4.205 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.185 -5.948 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.905 -4.704 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.150 -4.090 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.881 -3.111 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.644 -4.445 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.682 -6.408 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.156 -6.851 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.071 -7.119 -2.876 1.00 0.00 H new ATOM 884 N PHE A 55 0.820 -7.060 -4.394 1.00 0.00 N ATOM 885 CA PHE A 55 1.793 -7.740 -5.241 1.00 0.00 C ATOM 886 C PHE A 55 1.119 -8.355 -6.462 1.00 0.00 C ATOM 887 O PHE A 55 0.070 -8.990 -6.351 1.00 0.00 O ATOM 888 CB PHE A 55 2.520 -8.826 -4.446 1.00 0.00 C ATOM 889 CG PHE A 55 3.886 -9.149 -4.983 1.00 0.00 C ATOM 890 CD1 PHE A 55 5.001 -8.460 -4.534 1.00 0.00 C ATOM 891 CD2 PHE A 55 4.053 -10.141 -5.935 1.00 0.00 C ATOM 892 CE1 PHE A 55 6.259 -8.754 -5.026 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.308 -10.439 -6.432 1.00 0.00 C ATOM 894 CZ PHE A 55 6.412 -9.745 -5.976 1.00 0.00 C ATOM 0 H PHE A 55 0.568 -7.570 -3.548 1.00 0.00 H new ATOM 0 HA PHE A 55 2.517 -7.001 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.613 -8.505 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.914 -9.732 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.886 -7.684 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.193 -10.688 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.121 -8.210 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.425 -11.213 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.394 -9.977 -6.362 1.00 0.00 H new ATOM 904 N LEU A 56 1.728 -8.163 -7.627 1.00 0.00 N ATOM 905 CA LEU A 56 1.188 -8.702 -8.869 1.00 0.00 C ATOM 906 C LEU A 56 1.892 -10.000 -9.247 1.00 0.00 C ATOM 907 O LEU A 56 3.062 -9.996 -9.631 1.00 0.00 O ATOM 908 CB LEU A 56 1.333 -7.680 -9.998 1.00 0.00 C ATOM 909 CG LEU A 56 0.295 -6.557 -9.993 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.264 -5.863 -8.640 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.589 -5.557 -11.101 1.00 0.00 C ATOM 0 H LEU A 56 2.596 -7.638 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 56 0.130 -8.915 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.327 -7.236 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.274 -8.204 -10.952 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.687 -6.994 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.481 -5.067 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.006 -6.586 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.245 -5.438 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.159 -4.764 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.578 -5.126 -10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.558 -6.063 -12.066 1.00 0.00 H new ATOM 923 N SER A 57 1.173 -11.112 -9.135 1.00 0.00 N ATOM 924 CA SER A 57 1.729 -12.419 -9.464 1.00 0.00 C ATOM 925 C SER A 57 1.364 -12.825 -10.888 1.00 0.00 C ATOM 926 O SER A 57 2.181 -13.398 -11.609 1.00 0.00 O ATOM 927 CB SER A 57 1.225 -13.473 -8.476 1.00 0.00 C ATOM 928 OG SER A 57 1.917 -14.699 -8.641 1.00 0.00 O ATOM 0 H SER A 57 0.204 -11.134 -8.819 1.00 0.00 H new ATOM 0 HA SER A 57 2.815 -12.352 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.356 -13.112 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.157 -13.632 -8.623 1.00 0.00 H new ATOM 0 HG SER A 57 1.578 -15.355 -7.997 1.00 0.00 H new ATOM 934 N SER A 58 0.132 -12.525 -11.287 1.00 0.00 N ATOM 935 CA SER A 58 -0.340 -12.860 -12.626 1.00 0.00 C ATOM 936 C SER A 58 -1.190 -11.733 -13.204 1.00 0.00 C ATOM 937 O SER A 58 -2.143 -11.977 -13.944 1.00 0.00 O ATOM 938 CB SER A 58 -1.148 -14.158 -12.594 1.00 0.00 C ATOM 939 OG SER A 58 -0.304 -15.290 -12.717 1.00 0.00 O ATOM 0 H SER A 58 -0.557 -12.051 -10.703 1.00 0.00 H new ATOM 0 HA SER A 58 0.531 -12.997 -13.266 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.708 -14.218 -11.661 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.878 -14.155 -13.404 1.00 0.00 H new ATOM 0 HG SER A 58 -0.846 -16.106 -12.692 1.00 0.00 H new ATOM 945 N TYR A 59 -0.837 -10.498 -12.862 1.00 0.00 N ATOM 946 CA TYR A 59 -1.568 -9.334 -13.349 1.00 0.00 C ATOM 947 C TYR A 59 -1.386 -9.172 -14.856 1.00 0.00 C ATOM 948 O TYR A 59 -0.815 -10.039 -15.514 1.00 0.00 O ATOM 949 CB TYR A 59 -1.096 -8.070 -12.626 1.00 0.00 C ATOM 950 CG TYR A 59 -2.205 -7.078 -12.352 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.283 -7.417 -11.544 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.173 -5.802 -12.902 1.00 0.00 C ATOM 953 CE1 TYR A 59 -4.298 -6.513 -11.292 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.185 -4.893 -12.655 1.00 0.00 C ATOM 955 CZ TYR A 59 -4.244 -5.253 -11.850 1.00 0.00 C ATOM 956 OH TYR A 59 -5.252 -4.350 -11.601 1.00 0.00 O ATOM 0 H TYR A 59 -0.051 -10.278 -12.251 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.627 -9.486 -13.143 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.632 -8.354 -11.681 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.326 -7.585 -13.226 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.329 -8.403 -11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.344 -5.516 -13.533 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.129 -6.792 -10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.146 -3.906 -13.091 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.075 -4.832 -11.378 1.00 0.00 H new ATOM 966 N ASN A 60 -1.879 -8.053 -15.388 1.00 0.00 N ATOM 967 CA ASN A 60 -1.782 -7.753 -16.817 1.00 0.00 C ATOM 968 C ASN A 60 -2.238 -8.931 -17.678 1.00 0.00 C ATOM 969 O ASN A 60 -1.563 -9.956 -17.764 1.00 0.00 O ATOM 970 CB ASN A 60 -0.351 -7.339 -17.188 1.00 0.00 C ATOM 971 CG ASN A 60 0.636 -8.491 -17.137 1.00 0.00 C ATOM 972 OD1 ASN A 60 1.223 -8.776 -16.093 1.00 0.00 O ATOM 973 ND2 ASN A 60 0.826 -9.158 -18.270 1.00 0.00 N ATOM 0 H ASN A 60 -2.354 -7.333 -14.844 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.453 -6.918 -17.020 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.351 -6.913 -18.191 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.019 -6.554 -16.509 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.480 -9.941 -18.298 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.318 -8.888 -19.112 1.00 0.00 H new ATOM 980 N SER A 61 -3.392 -8.773 -18.320 1.00 0.00 N ATOM 981 CA SER A 61 -3.940 -9.819 -19.177 1.00 0.00 C ATOM 982 C SER A 61 -5.228 -9.352 -19.848 1.00 0.00 C ATOM 983 O SER A 61 -5.371 -9.439 -21.068 1.00 0.00 O ATOM 984 CB SER A 61 -4.205 -11.088 -18.363 1.00 0.00 C ATOM 985 OG SER A 61 -3.872 -12.248 -19.106 1.00 0.00 O ATOM 0 H SER A 61 -3.965 -7.931 -18.263 1.00 0.00 H new ATOM 0 HA SER A 61 -3.207 -10.041 -19.953 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.622 -11.062 -17.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.255 -11.126 -18.074 1.00 0.00 H new ATOM 0 HG SER A 61 -4.048 -13.045 -18.564 1.00 0.00 H new ATOM 991 N VAL A 62 -6.162 -8.857 -19.044 1.00 0.00 N ATOM 992 CA VAL A 62 -7.439 -8.375 -19.558 1.00 0.00 C ATOM 993 C VAL A 62 -7.948 -7.199 -18.736 1.00 0.00 C ATOM 994 O VAL A 62 -7.259 -6.716 -17.843 1.00 0.00 O ATOM 995 CB VAL A 62 -8.502 -9.492 -19.558 1.00 0.00 C ATOM 996 CG1 VAL A 62 -8.263 -10.458 -20.708 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.505 -10.229 -18.227 1.00 0.00 C ATOM 0 H VAL A 62 -6.059 -8.779 -18.032 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.269 -8.050 -20.584 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.481 -9.034 -19.696 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.023 -11.239 -20.691 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.318 -9.919 -21.654 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.276 -10.910 -20.605 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.262 -11.013 -18.247 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.525 -10.675 -18.056 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.730 -9.528 -17.423 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.156 -6.738 -19.039 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.745 -5.621 -18.310 1.00 0.00 C ATOM 1009 C ASP A 63 -10.394 -6.100 -17.012 1.00 0.00 C ATOM 1010 O ASP A 63 -10.971 -5.309 -16.266 1.00 0.00 O ATOM 1011 CB ASP A 63 -10.781 -4.904 -19.177 1.00 0.00 C ATOM 1012 CG ASP A 63 -10.146 -3.927 -20.148 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -9.358 -4.373 -21.008 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -10.438 -2.717 -20.048 1.00 0.00 O ATOM 0 H ASP A 63 -9.744 -7.118 -19.781 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.946 -4.922 -18.061 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.358 -5.642 -19.734 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.481 -4.370 -18.535 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.296 -7.402 -16.748 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.874 -7.987 -15.548 1.00 0.00 C ATOM 1021 C GLU A 64 -9.924 -7.859 -14.364 1.00 0.00 C ATOM 1022 O GLU A 64 -10.361 -7.743 -13.219 1.00 0.00 O ATOM 1023 CB GLU A 64 -11.215 -9.459 -15.787 1.00 0.00 C ATOM 1024 CG GLU A 64 -12.546 -9.881 -15.188 1.00 0.00 C ATOM 1025 CD GLU A 64 -13.028 -11.216 -15.722 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -13.506 -11.255 -16.876 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -12.928 -12.221 -14.987 1.00 0.00 O ATOM 0 H GLU A 64 -9.819 -8.070 -17.354 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.788 -7.442 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.233 -9.649 -16.860 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.424 -10.079 -15.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.450 -9.941 -14.104 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.294 -9.117 -15.400 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.621 -7.879 -14.639 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.631 -7.762 -13.572 1.00 0.00 C ATOM 1036 C ILE A 65 -7.433 -6.298 -13.175 1.00 0.00 C ATOM 1037 O ILE A 65 -7.052 -5.998 -12.043 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.270 -8.419 -13.950 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.250 -7.387 -14.448 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -6.470 -9.506 -14.996 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -5.707 -6.619 -15.664 1.00 0.00 C ATOM 0 H ILE A 65 -8.231 -7.974 -15.577 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.022 -8.309 -12.714 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.868 -8.868 -13.042 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.037 -6.683 -13.644 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.315 -7.897 -14.681 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.507 -9.952 -15.246 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.134 -10.274 -14.600 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.912 -9.071 -15.892 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.934 -5.909 -15.957 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.892 -7.313 -16.484 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.625 -6.080 -15.430 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.712 -5.391 -14.109 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.579 -3.964 -13.846 1.00 0.00 C ATOM 1055 C ARG A 66 -8.768 -3.465 -13.033 1.00 0.00 C ATOM 1056 O ARG A 66 -8.624 -2.603 -12.166 1.00 0.00 O ATOM 1057 CB ARG A 66 -7.451 -3.183 -15.162 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.779 -2.866 -15.836 1.00 0.00 C ATOM 1059 CD ARG A 66 -9.314 -1.512 -15.397 1.00 0.00 C ATOM 1060 NE ARG A 66 -10.003 -0.816 -16.482 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.171 0.505 -16.529 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -9.703 1.277 -15.556 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -10.811 1.054 -17.553 1.00 0.00 N ATOM 0 H ARG A 66 -8.030 -5.620 -15.051 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.671 -3.799 -13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.924 -2.249 -14.966 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.835 -3.758 -15.853 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.651 -2.875 -16.918 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.506 -3.642 -15.595 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.000 -1.647 -14.560 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.490 -0.896 -15.037 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.377 -1.375 -17.249 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.211 0.860 -14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.835 2.288 -15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.174 0.465 -18.303 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.941 2.065 -17.591 1.00 0.00 H new ATOM 1077 N LYS A 67 -9.943 -4.025 -13.310 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.154 -3.647 -12.594 1.00 0.00 C ATOM 1079 C LYS A 67 -11.039 -4.045 -11.126 1.00 0.00 C ATOM 1080 O LYS A 67 -11.565 -3.367 -10.243 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.379 -4.313 -13.226 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.509 -3.344 -13.535 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.021 -2.665 -12.274 1.00 0.00 C ATOM 1084 CE LYS A 67 -15.204 -3.412 -11.678 1.00 0.00 C ATOM 1085 NZ LYS A 67 -14.810 -4.216 -10.489 1.00 0.00 N ATOM 0 H LYS A 67 -10.080 -4.740 -14.024 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.275 -2.566 -12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.076 -4.810 -14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.749 -5.086 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.160 -2.589 -14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.326 -3.879 -14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.218 -2.608 -11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.315 -1.641 -12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.978 -2.699 -11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.637 -4.068 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.531 -4.943 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.894 -4.675 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.729 -3.593 -9.660 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.340 -5.148 -10.875 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.143 -5.638 -9.518 1.00 0.00 C ATOM 1101 C GLU A 68 -9.343 -4.632 -8.699 1.00 0.00 C ATOM 1102 O GLU A 68 -9.772 -4.206 -7.627 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.424 -6.989 -9.537 1.00 0.00 C ATOM 1104 CG GLU A 68 -10.368 -8.180 -9.467 1.00 0.00 C ATOM 1105 CD GLU A 68 -10.222 -8.968 -8.179 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -10.693 -8.482 -7.129 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.637 -10.071 -8.221 1.00 0.00 O ATOM 0 H GLU A 68 -9.900 -5.719 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.121 -5.768 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.827 -7.061 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.731 -7.035 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.396 -7.829 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.179 -8.839 -10.315 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.177 -4.248 -9.214 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.324 -3.284 -8.529 1.00 0.00 C ATOM 1116 C LEU A 69 -8.045 -1.951 -8.368 1.00 0.00 C ATOM 1117 O LEU A 69 -8.072 -1.374 -7.281 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.017 -3.083 -9.298 1.00 0.00 C ATOM 1119 CG LEU A 69 -5.034 -2.099 -8.660 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.242 -2.776 -7.553 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -4.098 -1.525 -9.713 1.00 0.00 C ATOM 0 H LEU A 69 -7.804 -4.589 -10.100 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.092 -3.678 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.523 -4.049 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.255 -2.735 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.603 -1.280 -8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.549 -2.060 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.926 -3.139 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.683 -3.615 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.405 -0.827 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.536 -2.334 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.681 -1.002 -10.472 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.638 -1.470 -9.457 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.369 -0.208 -9.434 1.00 0.00 C ATOM 1135 C GLU A 70 -10.482 -0.259 -8.393 1.00 0.00 C ATOM 1136 O GLU A 70 -10.809 0.749 -7.765 1.00 0.00 O ATOM 1137 CB GLU A 70 -9.954 0.094 -10.814 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.167 1.577 -11.073 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.975 1.840 -12.328 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -12.115 1.336 -12.416 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -10.470 2.549 -13.223 1.00 0.00 O ATOM 0 H GLU A 70 -8.626 -1.935 -10.365 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.675 0.588 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.288 -0.308 -11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.907 -0.425 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.676 2.022 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.199 2.070 -11.159 1.00 0.00 H new ATOM 1148 N GLU A 71 -11.053 -1.446 -8.211 1.00 0.00 N ATOM 1149 CA GLU A 71 -12.124 -1.639 -7.242 1.00 0.00 C ATOM 1150 C GLU A 71 -11.602 -1.445 -5.823 1.00 0.00 C ATOM 1151 O GLU A 71 -12.277 -0.861 -4.976 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.728 -3.037 -7.389 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.970 -3.255 -6.540 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.298 -4.724 -6.353 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.043 -5.276 -7.191 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.811 -5.321 -5.371 1.00 0.00 O ATOM 0 H GLU A 71 -10.791 -2.288 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.899 -0.897 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.979 -3.207 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.977 -3.779 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.824 -2.792 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.818 -2.754 -7.007 1.00 0.00 H new ATOM 1163 N ALA A 72 -10.391 -1.934 -5.573 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.774 -1.809 -4.259 1.00 0.00 C ATOM 1165 C ALA A 72 -9.179 -0.418 -4.052 1.00 0.00 C ATOM 1166 O ALA A 72 -8.695 -0.096 -2.965 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.704 -2.875 -4.078 1.00 0.00 C ATOM 0 H ALA A 72 -9.819 -2.420 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.551 -1.953 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.250 -2.771 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.156 -3.863 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.938 -2.756 -4.844 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.213 0.406 -5.098 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.668 1.748 -5.002 1.00 0.00 C ATOM 1175 C GLY A 73 -9.651 2.742 -4.415 1.00 0.00 C ATOM 1176 O GLY A 73 -9.421 3.286 -3.334 1.00 0.00 O ATOM 0 H GLY A 73 -9.608 0.167 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.769 1.727 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.367 2.085 -5.994 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.748 2.989 -5.127 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.761 3.935 -4.666 1.00 0.00 C ATOM 1182 C ALA A 74 -13.076 3.239 -4.333 1.00 0.00 C ATOM 1183 O ALA A 74 -13.938 3.809 -3.666 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.987 5.016 -5.713 1.00 0.00 C ATOM 0 H ALA A 74 -10.958 2.549 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.390 4.395 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.744 5.715 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.054 5.551 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.325 4.557 -6.642 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.224 2.007 -4.800 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.436 1.237 -4.551 1.00 0.00 C ATOM 1192 C LYS A 75 -14.222 0.242 -3.409 1.00 0.00 C ATOM 1193 O LYS A 75 -13.333 0.427 -2.578 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.864 0.512 -5.831 1.00 0.00 C ATOM 1195 CG LYS A 75 -14.902 1.418 -7.053 1.00 0.00 C ATOM 1196 CD LYS A 75 -14.599 0.650 -8.329 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.262 1.293 -9.537 1.00 0.00 C ATOM 1198 NZ LYS A 75 -14.454 2.418 -10.083 1.00 0.00 N ATOM 0 H LYS A 75 -12.520 1.519 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.231 1.921 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.177 -0.313 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.851 0.076 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.885 1.882 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.178 2.224 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.521 0.609 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.945 -0.378 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.408 0.542 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.250 1.659 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.941 2.828 -10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.335 3.147 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.520 2.065 -10.375 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.040 -0.812 -3.368 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.937 -1.830 -2.323 1.00 0.00 C ATOM 1214 C ILE A 76 -13.483 -2.224 -2.067 1.00 0.00 C ATOM 1215 O ILE A 76 -12.758 -2.595 -2.991 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.745 -3.093 -2.689 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.194 -2.724 -3.019 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -15.698 -4.105 -1.553 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.711 -3.382 -4.281 1.00 0.00 C ATOM 0 H ILE A 76 -15.781 -0.982 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.351 -1.390 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.294 -3.546 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.833 -3.008 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -17.270 -1.642 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.273 -4.989 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.663 -4.390 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.124 -3.662 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.743 -3.077 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.096 -3.078 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.667 -4.466 -4.171 1.00 0.00 H new ATOM 1231 N ASN A 77 -13.064 -2.135 -0.808 1.00 0.00 N ATOM 1232 CA ASN A 77 -11.697 -2.478 -0.429 1.00 0.00 C ATOM 1233 C ASN A 77 -11.626 -3.881 0.165 1.00 0.00 C ATOM 1234 O ASN A 77 -12.623 -4.601 0.205 1.00 0.00 O ATOM 1235 CB ASN A 77 -11.156 -1.455 0.574 1.00 0.00 C ATOM 1236 CG ASN A 77 -12.113 -1.213 1.725 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -12.014 -1.850 2.774 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -13.046 -0.287 1.534 1.00 0.00 N ATOM 0 H ASN A 77 -13.652 -1.828 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.082 -2.459 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.201 -1.805 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.964 -0.513 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.718 -0.080 2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.091 0.217 0.648 1.00 0.00 H new ATOM 1245 N HIS A 78 -10.438 -4.263 0.625 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.231 -5.582 1.215 1.00 0.00 C ATOM 1247 C HIS A 78 -11.083 -5.759 2.469 1.00 0.00 C ATOM 1248 O HIS A 78 -11.909 -6.667 2.544 1.00 0.00 O ATOM 1249 CB HIS A 78 -8.754 -5.790 1.559 1.00 0.00 C ATOM 1250 CG HIS A 78 -7.812 -5.257 0.523 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -7.655 -5.834 -0.720 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -6.975 -4.193 0.551 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -6.762 -5.146 -1.411 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -6.336 -4.146 -0.663 1.00 0.00 N ATOM 0 H HIS A 78 -9.603 -3.677 0.601 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.534 -6.328 0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.541 -5.308 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.568 -6.856 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -6.836 -3.509 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.436 -5.365 -2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.644 -3.451 -0.942 1.00 0.00 H new ATOM 1263 N THR A 79 -10.871 -4.886 3.452 1.00 0.00 N ATOM 1264 CA THR A 79 -11.614 -4.939 4.712 1.00 0.00 C ATOM 1265 C THR A 79 -11.666 -6.361 5.268 1.00 0.00 C ATOM 1266 O THR A 79 -12.629 -6.742 5.933 1.00 0.00 O ATOM 1267 CB THR A 79 -13.033 -4.396 4.521 1.00 0.00 C ATOM 1268 OG1 THR A 79 -13.683 -4.248 5.771 1.00 0.00 O ATOM 1269 CG2 THR A 79 -13.907 -5.274 3.652 1.00 0.00 C ATOM 0 H THR A 79 -10.188 -4.130 3.401 1.00 0.00 H new ATOM 0 HA THR A 79 -11.089 -4.313 5.433 1.00 0.00 H new ATOM 0 HB THR A 79 -12.906 -3.436 4.021 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.576 -5.069 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.897 -4.826 3.562 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.459 -5.368 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.995 -6.261 4.105 1.00 0.00 H new ATOM 1277 N THR A 80 -10.621 -7.138 4.994 1.00 0.00 N ATOM 1278 CA THR A 80 -10.541 -8.518 5.470 1.00 0.00 C ATOM 1279 C THR A 80 -9.305 -9.221 4.914 1.00 0.00 C ATOM 1280 O THR A 80 -8.763 -10.131 5.541 1.00 0.00 O ATOM 1281 CB THR A 80 -11.799 -9.300 5.080 1.00 0.00 C ATOM 1282 OG1 THR A 80 -11.620 -10.687 5.311 1.00 0.00 O ATOM 1283 CG2 THR A 80 -12.191 -9.127 3.628 1.00 0.00 C ATOM 0 H THR A 80 -9.817 -6.836 4.444 1.00 0.00 H new ATOM 0 HA THR A 80 -10.465 -8.487 6.557 1.00 0.00 H new ATOM 0 HB THR A 80 -12.594 -8.892 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.435 -11.169 5.057 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.090 -9.708 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.386 -8.074 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.380 -9.474 2.988 1.00 0.00 H new ATOM 1291 N LEU A 81 -8.864 -8.796 3.730 1.00 0.00 N ATOM 1292 CA LEU A 81 -7.693 -9.388 3.086 1.00 0.00 C ATOM 1293 C LEU A 81 -8.024 -10.763 2.514 1.00 0.00 C ATOM 1294 O LEU A 81 -7.138 -11.596 2.317 1.00 0.00 O ATOM 1295 CB LEU A 81 -6.526 -9.498 4.071 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.296 -8.263 4.943 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.586 -8.645 6.232 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.496 -7.217 4.181 1.00 0.00 C ATOM 0 H LEU A 81 -9.301 -8.044 3.198 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.397 -8.732 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.699 -10.356 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.614 -9.702 3.509 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.265 -7.836 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.431 -7.754 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.195 -9.360 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.622 -9.096 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.341 -6.344 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.530 -7.634 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.043 -6.922 3.285 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.305 -10.996 2.244 1.00 0.00 N ATOM 1311 CA LYS A 82 -9.748 -12.267 1.691 1.00 0.00 C ATOM 1312 C LYS A 82 -9.392 -12.366 0.213 1.00 0.00 C ATOM 1313 O LYS A 82 -9.162 -13.456 -0.308 1.00 0.00 O ATOM 1314 CB LYS A 82 -11.256 -12.435 1.881 1.00 0.00 C ATOM 1315 CG LYS A 82 -11.676 -13.861 2.200 1.00 0.00 C ATOM 1316 CD LYS A 82 -11.929 -14.665 0.935 1.00 0.00 C ATOM 1317 CE LYS A 82 -11.674 -16.147 1.158 1.00 0.00 C ATOM 1318 NZ LYS A 82 -12.466 -16.682 2.300 1.00 0.00 N ATOM 0 H LYS A 82 -10.053 -10.320 2.400 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.235 -13.067 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.587 -11.779 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.766 -12.109 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.899 -14.346 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.579 -13.847 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.958 -14.517 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.285 -14.300 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.925 -16.699 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.612 -16.308 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.411 -17.721 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.082 -16.311 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.459 -16.389 2.201 1.00 0.00 H new ATOM 1332 N ILE A 83 -9.339 -11.217 -0.457 1.00 0.00 N ATOM 1333 CA ILE A 83 -8.999 -11.180 -1.872 1.00 0.00 C ATOM 1334 C ILE A 83 -7.628 -11.798 -2.106 1.00 0.00 C ATOM 1335 O ILE A 83 -7.496 -12.785 -2.829 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.009 -9.738 -2.422 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.342 -9.057 -2.111 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -8.748 -9.740 -3.922 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -10.414 -7.623 -2.588 1.00 0.00 C ATOM 0 H ILE A 83 -9.527 -10.304 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.757 -11.757 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.213 -9.176 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.148 -9.626 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.511 -9.082 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.758 -8.716 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.775 -10.189 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -9.524 -10.317 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.387 -7.203 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.630 -7.039 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.277 -7.592 -3.669 1.00 0.00 H new ATOM 1351 N LEU A 84 -6.608 -11.221 -1.476 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.252 -11.732 -1.609 1.00 0.00 C ATOM 1353 C LEU A 84 -5.203 -13.201 -1.210 1.00 0.00 C ATOM 1354 O LEU A 84 -4.473 -13.996 -1.806 1.00 0.00 O ATOM 1355 CB LEU A 84 -4.282 -10.921 -0.751 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.803 -10.604 0.643 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.031 -11.382 1.698 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -4.736 -9.108 0.920 1.00 0.00 C ATOM 0 H LEU A 84 -6.696 -10.404 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.950 -11.638 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.346 -11.472 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.054 -9.986 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.848 -10.911 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.421 -11.140 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.143 -12.451 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.976 -11.114 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.114 -8.906 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.702 -8.770 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.344 -8.575 0.189 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.005 -13.558 -0.210 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.071 -14.936 0.253 1.00 0.00 C ATOM 1372 C GLU A 85 -6.678 -15.825 -0.828 1.00 0.00 C ATOM 1373 O GLU A 85 -6.400 -17.022 -0.890 1.00 0.00 O ATOM 1374 CB GLU A 85 -6.899 -15.029 1.535 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.623 -16.285 2.347 1.00 0.00 C ATOM 1376 CD GLU A 85 -6.523 -16.008 3.833 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -6.100 -14.892 4.203 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -6.869 -16.906 4.629 1.00 0.00 O ATOM 0 H GLU A 85 -6.615 -12.913 0.292 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.059 -15.279 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.696 -14.155 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.958 -14.998 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.417 -17.010 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.694 -16.739 2.002 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.503 -15.225 -1.683 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.131 -15.973 -2.755 1.00 0.00 C ATOM 1387 C GLY A 86 -7.148 -16.350 -3.845 1.00 0.00 C ATOM 1388 O GLY A 86 -7.279 -17.403 -4.469 1.00 0.00 O ATOM 0 H GLY A 86 -7.746 -14.235 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.583 -16.877 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.938 -15.379 -3.185 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.160 -15.489 -4.078 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.156 -15.747 -5.103 1.00 0.00 C ATOM 1394 C HIS A 87 -3.988 -14.770 -4.989 1.00 0.00 C ATOM 1395 O HIS A 87 -3.826 -13.878 -5.822 1.00 0.00 O ATOM 1396 CB HIS A 87 -5.784 -15.657 -6.496 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.345 -14.306 -6.815 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.846 -13.342 -6.007 1.00 0.00 N flip ATOM 1399 CD2 HIS A 87 -6.434 -13.812 -8.100 1.00 0.00 C flip ATOM 1400 CE1 HIS A 87 -7.224 -12.295 -6.811 1.00 0.00 C flip ATOM 1401 NE2 HIS A 87 -6.965 -12.602 -8.068 1.00 0.00 N flip ATOM 0 H HIS A 87 -6.035 -14.612 -3.573 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.771 -16.755 -4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.032 -15.914 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.578 -16.399 -6.576 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.119 -14.332 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.663 -11.369 -6.470 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.144 -12.007 -8.877 1.00 0.00 H new ATOM 1410 N LEU A 88 -3.177 -14.948 -3.952 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.021 -14.087 -3.727 1.00 0.00 C ATOM 1412 C LEU A 88 -1.121 -14.666 -2.639 1.00 0.00 C ATOM 1413 O LEU A 88 -0.040 -14.088 -2.397 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.477 -12.679 -3.338 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.827 -11.540 -4.129 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.311 -11.664 -4.099 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.335 -11.530 -5.562 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.506 -15.690 -2.038 1.00 0.00 O ATOM 0 H LEU A 88 -3.299 -15.681 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.450 -14.031 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.558 -12.617 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.271 -12.528 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.102 -10.595 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.132 -10.846 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.037 -11.620 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.015 -12.615 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.863 -10.714 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.091 -12.478 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.416 -11.390 -5.564 1.00 0.00 H new