USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 7 THR OG1 : rot 128:sc= 0.943 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.613 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.526 (180deg=-1.85!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.78) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.227 K(o=0.23,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.072 (180deg=-0.134) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -4.8! C(o=-4.8!,f=-8.7!) USER MOD Single : A 41 GLN : amide:sc= -6.56! C(o=-6.6!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.66! C(o=-6.7!,f=-12!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -3.04! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 31:sc= 0.226 USER MOD Single : A 60 ASN : amide:sc= -1.59! C(o=-1.6!,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc=-0.00194 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.344 -20.282 -2.056 1.00 0.00 N ATOM 2 CA MET A 1 3.094 -19.238 -3.085 1.00 0.00 C ATOM 3 C MET A 1 4.016 -18.039 -2.889 1.00 0.00 C ATOM 4 O MET A 1 3.821 -17.235 -1.978 1.00 0.00 O ATOM 5 CB MET A 1 1.631 -18.799 -2.987 1.00 0.00 C ATOM 6 CG MET A 1 1.000 -18.489 -4.335 1.00 0.00 C ATOM 7 SD MET A 1 -0.795 -18.666 -4.321 1.00 0.00 S ATOM 8 CE MET A 1 -1.294 -17.018 -3.827 1.00 0.00 C ATOM 0 H1 MET A 1 2.703 -21.086 -2.214 1.00 0.00 H new ATOM 0 H2 MET A 1 4.330 -20.607 -2.124 1.00 0.00 H new ATOM 0 H3 MET A 1 3.175 -19.885 -1.110 1.00 0.00 H new ATOM 0 HA MET A 1 3.298 -19.652 -4.072 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.056 -19.585 -2.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.567 -17.915 -2.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.258 -17.471 -4.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.421 -19.153 -5.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.311 -16.827 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.257 -16.937 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.619 -16.286 -4.269 1.00 0.00 H new ATOM 20 N GLN A 2 5.023 -17.925 -3.750 1.00 0.00 N ATOM 21 CA GLN A 2 5.976 -16.825 -3.673 1.00 0.00 C ATOM 22 C GLN A 2 5.529 -15.653 -4.540 1.00 0.00 C ATOM 23 O GLN A 2 5.536 -15.739 -5.769 1.00 0.00 O ATOM 24 CB GLN A 2 7.365 -17.294 -4.107 1.00 0.00 C ATOM 25 CG GLN A 2 8.295 -16.157 -4.498 1.00 0.00 C ATOM 26 CD GLN A 2 9.717 -16.374 -4.021 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.578 -16.820 -4.779 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.971 -16.059 -2.756 1.00 0.00 N ATOM 0 H GLN A 2 5.199 -18.582 -4.510 1.00 0.00 H new ATOM 0 HA GLN A 2 6.020 -16.490 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.819 -17.861 -3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.262 -17.975 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.293 -16.048 -5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.915 -15.223 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.227 -15.692 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.910 -16.184 -2.378 1.00 0.00 H new ATOM 37 N LEU A 3 5.140 -14.559 -3.894 1.00 0.00 N ATOM 38 CA LEU A 3 4.690 -13.369 -4.606 1.00 0.00 C ATOM 39 C LEU A 3 5.686 -12.227 -4.436 1.00 0.00 C ATOM 40 O LEU A 3 6.545 -12.265 -3.554 1.00 0.00 O ATOM 41 CB LEU A 3 3.311 -12.938 -4.101 1.00 0.00 C ATOM 42 CG LEU A 3 2.266 -14.053 -4.038 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.918 -13.498 -3.605 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.151 -14.752 -5.384 1.00 0.00 C ATOM 0 H LEU A 3 5.127 -14.472 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 3 4.621 -13.613 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.423 -12.510 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.936 -12.145 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 3 2.588 -14.785 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.187 -14.306 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.011 -13.045 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.588 -12.745 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.403 -15.542 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.853 -14.030 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.115 -15.185 -5.653 1.00 0.00 H new ATOM 56 N PHE A 4 5.568 -11.214 -5.287 1.00 0.00 N ATOM 57 CA PHE A 4 6.460 -10.061 -5.230 1.00 0.00 C ATOM 58 C PHE A 4 5.679 -8.779 -4.964 1.00 0.00 C ATOM 59 O PHE A 4 4.466 -8.724 -5.171 1.00 0.00 O ATOM 60 CB PHE A 4 7.245 -9.930 -6.537 1.00 0.00 C ATOM 61 CG PHE A 4 8.040 -11.156 -6.886 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.433 -12.050 -5.898 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.395 -11.415 -8.206 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.167 -13.182 -6.218 1.00 0.00 C ATOM 65 CE2 PHE A 4 9.130 -12.544 -8.532 1.00 0.00 C ATOM 66 CZ PHE A 4 9.515 -13.430 -7.537 1.00 0.00 C ATOM 0 H PHE A 4 4.864 -11.167 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 4 7.159 -10.217 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.550 -9.715 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.921 -9.078 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.164 -11.861 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.095 -10.729 -8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.467 -13.869 -5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.403 -12.734 -9.560 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.085 -14.312 -7.789 1.00 0.00 H new ATOM 76 N VAL A 5 6.381 -7.751 -4.504 1.00 0.00 N ATOM 77 CA VAL A 5 5.758 -6.467 -4.209 1.00 0.00 C ATOM 78 C VAL A 5 6.736 -5.320 -4.441 1.00 0.00 C ATOM 79 O VAL A 5 7.553 -5.004 -3.577 1.00 0.00 O ATOM 80 CB VAL A 5 5.253 -6.407 -2.755 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.723 -5.019 -2.430 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.186 -7.464 -2.516 1.00 0.00 C ATOM 0 H VAL A 5 7.385 -7.782 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 5 4.909 -6.364 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 5 6.091 -6.614 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.371 -4.996 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.520 -4.286 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.898 -4.778 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.841 -7.406 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.346 -7.292 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.605 -8.453 -2.704 1.00 0.00 H new ATOM 92 N LYS A 6 6.648 -4.702 -5.614 1.00 0.00 N ATOM 93 CA LYS A 6 7.529 -3.592 -5.957 1.00 0.00 C ATOM 94 C LYS A 6 6.921 -2.260 -5.529 1.00 0.00 C ATOM 95 O LYS A 6 5.707 -2.148 -5.355 1.00 0.00 O ATOM 96 CB LYS A 6 7.811 -3.581 -7.461 1.00 0.00 C ATOM 97 CG LYS A 6 6.557 -3.482 -8.315 1.00 0.00 C ATOM 98 CD LYS A 6 6.854 -2.863 -9.671 1.00 0.00 C ATOM 99 CE LYS A 6 7.107 -1.369 -9.557 1.00 0.00 C ATOM 100 NZ LYS A 6 7.444 -0.761 -10.874 1.00 0.00 N ATOM 0 H LYS A 6 5.977 -4.950 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 6 8.468 -3.729 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.466 -2.741 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.351 -4.489 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.130 -4.475 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.809 -2.883 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.725 -3.348 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.016 -3.041 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.222 -0.881 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.922 -1.191 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.609 0.259 -10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.303 -1.209 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.656 -0.908 -11.536 1.00 0.00 H new ATOM 114 N THR A 7 7.773 -1.254 -5.362 1.00 0.00 N ATOM 115 CA THR A 7 7.322 0.072 -4.953 1.00 0.00 C ATOM 116 C THR A 7 7.747 1.128 -5.969 1.00 0.00 C ATOM 117 O THR A 7 8.176 0.802 -7.076 1.00 0.00 O ATOM 118 CB THR A 7 7.883 0.420 -3.573 1.00 0.00 C ATOM 119 OG1 THR A 7 9.286 0.613 -3.637 1.00 0.00 O ATOM 120 CG2 THR A 7 7.612 -0.642 -2.531 1.00 0.00 C ATOM 0 H THR A 7 8.780 -1.331 -5.504 1.00 0.00 H new ATOM 0 HA THR A 7 6.233 0.060 -4.903 1.00 0.00 H new ATOM 0 HB THR A 7 7.371 1.335 -3.275 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.517 1.473 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.037 -0.332 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.536 -0.779 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.068 -1.582 -2.842 1.00 0.00 H new ATOM 128 N LEU A 8 7.627 2.395 -5.584 1.00 0.00 N ATOM 129 CA LEU A 8 7.999 3.500 -6.460 1.00 0.00 C ATOM 130 C LEU A 8 9.482 3.835 -6.322 1.00 0.00 C ATOM 131 O LEU A 8 9.969 4.790 -6.926 1.00 0.00 O ATOM 132 CB LEU A 8 7.154 4.735 -6.144 1.00 0.00 C ATOM 133 CG LEU A 8 5.648 4.483 -6.057 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.998 5.461 -5.089 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.010 4.587 -7.434 1.00 0.00 C ATOM 0 H LEU A 8 7.275 2.682 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 8 7.811 3.192 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.492 5.155 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.337 5.488 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 8 5.489 3.472 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.927 5.267 -5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.435 5.337 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.166 6.481 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.938 4.405 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.179 5.585 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.455 3.846 -8.098 1.00 0.00 H new ATOM 147 N THR A 9 10.194 3.045 -5.525 1.00 0.00 N ATOM 148 CA THR A 9 11.620 3.261 -5.311 1.00 0.00 C ATOM 149 C THR A 9 12.443 2.175 -5.996 1.00 0.00 C ATOM 150 O THR A 9 13.631 2.013 -5.717 1.00 0.00 O ATOM 151 CB THR A 9 11.935 3.287 -3.815 1.00 0.00 C ATOM 152 OG1 THR A 9 11.227 2.266 -3.136 1.00 0.00 O ATOM 153 CG2 THR A 9 11.588 4.604 -3.154 1.00 0.00 C ATOM 0 H THR A 9 9.807 2.250 -5.017 1.00 0.00 H new ATOM 0 HA THR A 9 11.885 4.224 -5.748 1.00 0.00 H new ATOM 0 HB THR A 9 13.012 3.135 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.443 2.298 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.836 4.555 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.156 5.407 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.522 4.799 -3.268 1.00 0.00 H new ATOM 161 N GLY A 10 11.802 1.433 -6.892 1.00 0.00 N ATOM 162 CA GLY A 10 12.488 0.370 -7.603 1.00 0.00 C ATOM 163 C GLY A 10 12.801 -0.814 -6.711 1.00 0.00 C ATOM 164 O GLY A 10 13.552 -1.709 -7.096 1.00 0.00 O ATOM 0 H GLY A 10 10.819 1.549 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.871 0.039 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.415 0.758 -8.025 1.00 0.00 H new ATOM 168 N LYS A 11 12.220 -0.820 -5.515 1.00 0.00 N ATOM 169 CA LYS A 11 12.438 -1.903 -4.565 1.00 0.00 C ATOM 170 C LYS A 11 11.451 -3.040 -4.805 1.00 0.00 C ATOM 171 O LYS A 11 10.238 -2.838 -4.772 1.00 0.00 O ATOM 172 CB LYS A 11 12.302 -1.386 -3.130 1.00 0.00 C ATOM 173 CG LYS A 11 12.007 -2.479 -2.115 1.00 0.00 C ATOM 174 CD LYS A 11 12.018 -1.940 -0.694 1.00 0.00 C ATOM 175 CE LYS A 11 12.428 -3.011 0.303 1.00 0.00 C ATOM 176 NZ LYS A 11 13.825 -2.823 0.778 1.00 0.00 N ATOM 0 H LYS A 11 11.595 -0.086 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 11 13.448 -2.285 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.224 -0.878 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.505 -0.644 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.035 -2.922 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.747 -3.273 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.706 -1.097 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.028 -1.563 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.749 -2.992 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.331 -3.993 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.065 -3.574 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.476 -2.867 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.912 -1.897 1.242 1.00 0.00 H new ATOM 190 N THR A 12 11.980 -4.236 -5.045 1.00 0.00 N ATOM 191 CA THR A 12 11.143 -5.405 -5.289 1.00 0.00 C ATOM 192 C THR A 12 11.118 -6.317 -4.067 1.00 0.00 C ATOM 193 O THR A 12 12.140 -6.887 -3.684 1.00 0.00 O ATOM 194 CB THR A 12 11.653 -6.177 -6.507 1.00 0.00 C ATOM 195 OG1 THR A 12 12.064 -5.287 -7.528 1.00 0.00 O ATOM 196 CG2 THR A 12 10.618 -7.109 -7.100 1.00 0.00 C ATOM 0 H THR A 12 12.983 -4.421 -5.076 1.00 0.00 H new ATOM 0 HA THR A 12 10.127 -5.062 -5.485 1.00 0.00 H new ATOM 0 HB THR A 12 12.490 -6.773 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.388 -5.800 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.044 -7.626 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.315 -7.840 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.749 -6.533 -7.417 1.00 0.00 H new ATOM 204 N LEU A 13 9.944 -6.449 -3.457 1.00 0.00 N ATOM 205 CA LEU A 13 9.788 -7.290 -2.277 1.00 0.00 C ATOM 206 C LEU A 13 9.277 -8.677 -2.656 1.00 0.00 C ATOM 207 O LEU A 13 8.726 -8.872 -3.739 1.00 0.00 O ATOM 208 CB LEU A 13 8.826 -6.635 -1.283 1.00 0.00 C ATOM 209 CG LEU A 13 9.354 -6.522 0.148 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.473 -5.062 0.558 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.451 -7.277 1.111 1.00 0.00 C ATOM 0 H LEU A 13 9.088 -5.985 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 13 10.767 -7.400 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.579 -5.636 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.898 -7.207 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 13 10.346 -6.971 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.850 -5.000 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.161 -4.550 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.493 -4.588 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.842 -7.186 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.445 -6.858 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.417 -8.329 0.829 1.00 0.00 H new ATOM 223 N THR A 14 9.466 -9.637 -1.757 1.00 0.00 N ATOM 224 CA THR A 14 9.026 -11.006 -1.995 1.00 0.00 C ATOM 225 C THR A 14 8.603 -11.677 -0.692 1.00 0.00 C ATOM 226 O THR A 14 9.401 -11.812 0.236 1.00 0.00 O ATOM 227 CB THR A 14 10.141 -11.814 -2.659 1.00 0.00 C ATOM 228 OG1 THR A 14 10.608 -11.161 -3.825 1.00 0.00 O ATOM 229 CG2 THR A 14 9.712 -13.211 -3.056 1.00 0.00 C ATOM 0 H THR A 14 9.922 -9.492 -0.856 1.00 0.00 H new ATOM 0 HA THR A 14 8.164 -10.973 -2.662 1.00 0.00 H new ATOM 0 HB THR A 14 10.928 -11.892 -1.908 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.007 -11.358 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.550 -13.730 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.392 -13.759 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.885 -13.150 -3.763 1.00 0.00 H new ATOM 237 N VAL A 15 7.343 -12.095 -0.629 1.00 0.00 N ATOM 238 CA VAL A 15 6.815 -12.751 0.560 1.00 0.00 C ATOM 239 C VAL A 15 6.221 -14.113 0.218 1.00 0.00 C ATOM 240 O VAL A 15 5.980 -14.421 -0.950 1.00 0.00 O ATOM 241 CB VAL A 15 5.736 -11.891 1.243 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.377 -10.828 2.123 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.825 -11.256 0.205 1.00 0.00 C ATOM 0 H VAL A 15 6.669 -11.991 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 15 7.652 -12.884 1.246 1.00 0.00 H new ATOM 0 HB VAL A 15 5.130 -12.537 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.599 -10.230 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.984 -11.308 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.009 -10.183 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.068 -10.652 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.415 -10.623 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.338 -12.037 -0.378 1.00 0.00 H new ATOM 253 N GLU A 16 5.986 -14.926 1.243 1.00 0.00 N ATOM 254 CA GLU A 16 5.420 -16.256 1.050 1.00 0.00 C ATOM 255 C GLU A 16 4.051 -16.368 1.712 1.00 0.00 C ATOM 256 O GLU A 16 3.945 -16.420 2.936 1.00 0.00 O ATOM 257 CB GLU A 16 6.361 -17.320 1.616 1.00 0.00 C ATOM 258 CG GLU A 16 7.817 -16.885 1.658 1.00 0.00 C ATOM 259 CD GLU A 16 8.399 -16.665 0.275 1.00 0.00 C ATOM 260 OE1 GLU A 16 8.431 -17.632 -0.516 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.820 -15.527 -0.018 1.00 0.00 O ATOM 0 H GLU A 16 6.179 -14.687 2.216 1.00 0.00 H new ATOM 0 HA GLU A 16 5.299 -16.419 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.039 -17.579 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.278 -18.224 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.901 -15.964 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.404 -17.642 2.179 1.00 0.00 H new ATOM 268 N LEU A 17 3.006 -16.406 0.893 1.00 0.00 N ATOM 269 CA LEU A 17 1.642 -16.512 1.398 1.00 0.00 C ATOM 270 C LEU A 17 0.889 -17.638 0.698 1.00 0.00 C ATOM 271 O LEU A 17 1.434 -18.313 -0.177 1.00 0.00 O ATOM 272 CB LEU A 17 0.900 -15.189 1.207 1.00 0.00 C ATOM 273 CG LEU A 17 1.680 -13.943 1.630 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.444 -12.807 0.646 1.00 0.00 C ATOM 275 CD2 LEU A 17 1.292 -13.524 3.039 1.00 0.00 C ATOM 0 H LEU A 17 3.077 -16.365 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 17 1.692 -16.740 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.629 -15.090 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.030 -15.227 1.774 1.00 0.00 H new ATOM 0 HG LEU A 17 2.743 -14.183 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.007 -11.929 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.775 -13.111 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.381 -12.566 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.857 -12.636 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.225 -13.302 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.515 -14.334 3.734 1.00 0.00 H new ATOM 287 N GLU A 18 -0.366 -17.836 1.086 1.00 0.00 N ATOM 288 CA GLU A 18 -1.194 -18.881 0.494 1.00 0.00 C ATOM 289 C GLU A 18 -2.360 -18.277 -0.280 1.00 0.00 C ATOM 290 O GLU A 18 -2.844 -17.193 0.047 1.00 0.00 O ATOM 291 CB GLU A 18 -1.719 -19.821 1.581 1.00 0.00 C ATOM 292 CG GLU A 18 -0.701 -20.840 2.049 1.00 0.00 C ATOM 293 CD GLU A 18 -0.444 -20.766 3.541 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.224 -19.807 3.983 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.911 -21.667 4.270 1.00 0.00 O ATOM 0 H GLU A 18 -0.833 -17.287 1.808 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.577 -19.450 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.045 -19.228 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.597 -20.345 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.050 -21.840 1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.236 -20.683 1.515 1.00 0.00 H new ATOM 302 N PRO A 19 -2.828 -18.979 -1.323 1.00 0.00 N ATOM 303 CA PRO A 19 -3.946 -18.519 -2.153 1.00 0.00 C ATOM 304 C PRO A 19 -5.210 -18.278 -1.335 1.00 0.00 C ATOM 305 O PRO A 19 -6.103 -17.543 -1.756 1.00 0.00 O ATOM 306 CB PRO A 19 -4.162 -19.666 -3.150 1.00 0.00 C ATOM 307 CG PRO A 19 -3.453 -20.839 -2.562 1.00 0.00 C ATOM 308 CD PRO A 19 -2.308 -20.277 -1.773 1.00 0.00 C ATOM 0 HA PRO A 19 -3.727 -17.565 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.223 -19.875 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.760 -19.415 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.120 -21.418 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.096 -21.511 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.042 -20.919 -0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.413 -20.164 -2.384 1.00 0.00 H new ATOM 316 N SER A 20 -5.277 -18.901 -0.163 1.00 0.00 N ATOM 317 CA SER A 20 -6.431 -18.751 0.716 1.00 0.00 C ATOM 318 C SER A 20 -6.388 -17.407 1.436 1.00 0.00 C ATOM 319 O SER A 20 -7.390 -16.957 1.994 1.00 0.00 O ATOM 320 CB SER A 20 -6.474 -19.889 1.738 1.00 0.00 C ATOM 321 OG SER A 20 -5.252 -19.986 2.447 1.00 0.00 O ATOM 0 H SER A 20 -4.547 -19.514 0.200 1.00 0.00 H new ATOM 0 HA SER A 20 -7.332 -18.790 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.292 -19.721 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.678 -20.831 1.229 1.00 0.00 H new ATOM 0 HG SER A 20 -5.307 -20.720 3.095 1.00 0.00 H new ATOM 327 N ASP A 21 -5.222 -16.771 1.416 1.00 0.00 N ATOM 328 CA ASP A 21 -5.045 -15.477 2.064 1.00 0.00 C ATOM 329 C ASP A 21 -5.837 -14.396 1.337 1.00 0.00 C ATOM 330 O ASP A 21 -6.289 -14.598 0.209 1.00 0.00 O ATOM 331 CB ASP A 21 -3.563 -15.102 2.104 1.00 0.00 C ATOM 332 CG ASP A 21 -2.773 -15.969 3.064 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.645 -17.183 2.799 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.282 -15.434 4.080 1.00 0.00 O ATOM 0 H ASP A 21 -4.385 -17.131 0.958 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.419 -15.553 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.141 -15.195 1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.463 -14.057 2.397 1.00 0.00 H new ATOM 339 N THR A 22 -6.004 -13.250 1.988 1.00 0.00 N ATOM 340 CA THR A 22 -6.743 -12.140 1.401 1.00 0.00 C ATOM 341 C THR A 22 -5.899 -10.870 1.384 1.00 0.00 C ATOM 342 O THR A 22 -4.892 -10.771 2.085 1.00 0.00 O ATOM 343 CB THR A 22 -8.037 -11.895 2.177 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.812 -11.014 3.262 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.650 -13.162 2.733 1.00 0.00 C ATOM 0 H THR A 22 -5.638 -13.066 2.922 1.00 0.00 H new ATOM 0 HA THR A 22 -6.988 -12.404 0.372 1.00 0.00 H new ATOM 0 HB THR A 22 -8.729 -11.462 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.652 -10.869 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.565 -12.917 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.882 -13.843 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.945 -13.639 3.413 1.00 0.00 H new ATOM 353 N VAL A 23 -6.319 -9.898 0.581 1.00 0.00 N ATOM 354 CA VAL A 23 -5.604 -8.633 0.474 1.00 0.00 C ATOM 355 C VAL A 23 -5.203 -8.115 1.851 1.00 0.00 C ATOM 356 O VAL A 23 -4.049 -7.750 2.077 1.00 0.00 O ATOM 357 CB VAL A 23 -6.456 -7.566 -0.238 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.752 -6.217 -0.216 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.763 -7.994 -1.665 1.00 0.00 C ATOM 0 H VAL A 23 -7.151 -9.963 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.707 -8.822 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.400 -7.464 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.369 -5.476 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.590 -5.908 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.792 -6.299 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.366 -7.228 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.831 -8.126 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.313 -8.935 -1.652 1.00 0.00 H new ATOM 369 N GLU A 24 -6.164 -8.088 2.769 1.00 0.00 N ATOM 370 CA GLU A 24 -5.911 -7.617 4.126 1.00 0.00 C ATOM 371 C GLU A 24 -4.654 -8.266 4.697 1.00 0.00 C ATOM 372 O GLU A 24 -3.786 -7.585 5.243 1.00 0.00 O ATOM 373 CB GLU A 24 -7.110 -7.920 5.025 1.00 0.00 C ATOM 374 CG GLU A 24 -7.324 -6.890 6.122 1.00 0.00 C ATOM 375 CD GLU A 24 -6.400 -7.100 7.306 1.00 0.00 C ATOM 376 OE1 GLU A 24 -5.169 -7.006 7.122 1.00 0.00 O ATOM 377 OE2 GLU A 24 -6.909 -7.357 8.418 1.00 0.00 O ATOM 0 H GLU A 24 -7.124 -8.386 2.598 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.759 -6.538 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.009 -7.976 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.973 -8.901 5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.165 -5.892 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.359 -6.935 6.461 1.00 0.00 H new ATOM 384 N ASN A 25 -4.563 -9.586 4.565 1.00 0.00 N ATOM 385 CA ASN A 25 -3.410 -10.325 5.065 1.00 0.00 C ATOM 386 C ASN A 25 -2.120 -9.792 4.451 1.00 0.00 C ATOM 387 O ASN A 25 -1.193 -9.408 5.164 1.00 0.00 O ATOM 388 CB ASN A 25 -3.560 -11.816 4.756 1.00 0.00 C ATOM 389 CG ASN A 25 -4.675 -12.462 5.555 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.598 -13.051 4.991 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.596 -12.356 6.876 1.00 0.00 N ATOM 0 H ASN A 25 -5.273 -10.165 4.116 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.361 -10.190 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.757 -11.946 3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.621 -12.325 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.318 -12.772 7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.814 -11.859 7.302 1.00 0.00 H new ATOM 398 N LEU A 26 -2.068 -9.767 3.123 1.00 0.00 N ATOM 399 CA LEU A 26 -0.892 -9.275 2.415 1.00 0.00 C ATOM 400 C LEU A 26 -0.410 -7.966 3.032 1.00 0.00 C ATOM 401 O LEU A 26 0.759 -7.831 3.398 1.00 0.00 O ATOM 402 CB LEU A 26 -1.208 -9.070 0.932 1.00 0.00 C ATOM 403 CG LEU A 26 -0.278 -8.103 0.200 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.177 -8.429 0.502 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.537 -8.148 -1.298 1.00 0.00 C ATOM 0 H LEU A 26 -2.825 -10.081 2.516 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.100 -10.019 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.169 -10.037 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.231 -8.705 0.841 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.483 -7.093 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.824 -7.730 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.354 -8.345 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.397 -9.446 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.134 -7.454 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.360 -9.158 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.571 -7.865 -1.497 1.00 0.00 H new ATOM 417 N LYS A 27 -1.321 -7.006 3.152 1.00 0.00 N ATOM 418 CA LYS A 27 -0.990 -5.712 3.732 1.00 0.00 C ATOM 419 C LYS A 27 -0.394 -5.894 5.122 1.00 0.00 C ATOM 420 O LYS A 27 0.612 -5.272 5.466 1.00 0.00 O ATOM 421 CB LYS A 27 -2.236 -4.827 3.803 1.00 0.00 C ATOM 422 CG LYS A 27 -2.584 -4.161 2.483 1.00 0.00 C ATOM 423 CD LYS A 27 -4.087 -4.099 2.268 1.00 0.00 C ATOM 424 CE LYS A 27 -4.465 -3.003 1.286 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.614 -2.190 1.773 1.00 0.00 N ATOM 0 H LYS A 27 -2.292 -7.100 2.856 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.252 -5.224 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.082 -5.431 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.082 -4.057 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.171 -3.152 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.121 -4.711 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.442 -5.060 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.585 -3.922 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.606 -2.353 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.718 -3.449 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.156 -1.834 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.230 -2.780 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.259 -1.387 2.331 1.00 0.00 H new ATOM 439 N ALA A 28 -1.016 -6.760 5.917 1.00 0.00 N ATOM 440 CA ALA A 28 -0.538 -7.032 7.266 1.00 0.00 C ATOM 441 C ALA A 28 0.952 -7.345 7.247 1.00 0.00 C ATOM 442 O ALA A 28 1.696 -6.932 8.137 1.00 0.00 O ATOM 443 CB ALA A 28 -1.316 -8.185 7.882 1.00 0.00 C ATOM 0 H ALA A 28 -1.850 -7.283 5.650 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.697 -6.143 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.947 -8.376 8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.374 -7.928 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.185 -9.079 7.272 1.00 0.00 H new ATOM 449 N LYS A 29 1.383 -8.070 6.219 1.00 0.00 N ATOM 450 CA LYS A 29 2.787 -8.430 6.074 1.00 0.00 C ATOM 451 C LYS A 29 3.627 -7.185 5.819 1.00 0.00 C ATOM 452 O LYS A 29 4.668 -6.984 6.445 1.00 0.00 O ATOM 453 CB LYS A 29 2.968 -9.429 4.931 1.00 0.00 C ATOM 454 CG LYS A 29 2.116 -10.680 5.075 1.00 0.00 C ATOM 455 CD LYS A 29 2.477 -11.460 6.329 1.00 0.00 C ATOM 456 CE LYS A 29 3.090 -12.809 5.989 1.00 0.00 C ATOM 457 NZ LYS A 29 4.247 -13.130 6.869 1.00 0.00 N ATOM 0 H LYS A 29 0.779 -8.419 5.475 1.00 0.00 H new ATOM 0 HA LYS A 29 3.121 -8.897 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.722 -8.939 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.017 -9.719 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.063 -10.402 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.250 -11.315 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.179 -10.881 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.584 -11.608 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.333 -13.587 6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.414 -12.809 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.637 -14.057 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.981 -12.401 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.933 -13.156 7.860 1.00 0.00 H new ATOM 471 N ILE A 30 3.162 -6.343 4.899 1.00 0.00 N ATOM 472 CA ILE A 30 3.866 -5.111 4.568 1.00 0.00 C ATOM 473 C ILE A 30 3.987 -4.216 5.797 1.00 0.00 C ATOM 474 O ILE A 30 4.844 -3.334 5.859 1.00 0.00 O ATOM 475 CB ILE A 30 3.149 -4.336 3.445 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.893 -5.253 2.247 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.969 -3.124 3.025 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.476 -4.513 0.995 1.00 0.00 C ATOM 0 H ILE A 30 2.302 -6.493 4.371 1.00 0.00 H new ATOM 0 HA ILE A 30 4.860 -5.390 4.220 1.00 0.00 H new ATOM 0 HB ILE A 30 2.189 -3.985 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.798 -5.824 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.117 -5.972 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.447 -2.589 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.105 -2.462 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.943 -3.452 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.312 -5.227 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.554 -3.964 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.261 -3.814 0.707 1.00 0.00 H new ATOM 490 N GLN A 31 3.122 -4.456 6.777 1.00 0.00 N ATOM 491 CA GLN A 31 3.126 -3.681 8.011 1.00 0.00 C ATOM 492 C GLN A 31 4.160 -4.232 8.987 1.00 0.00 C ATOM 493 O GLN A 31 4.729 -3.491 9.788 1.00 0.00 O ATOM 494 CB GLN A 31 1.738 -3.697 8.652 1.00 0.00 C ATOM 495 CG GLN A 31 1.638 -2.848 9.908 1.00 0.00 C ATOM 496 CD GLN A 31 0.206 -2.510 10.273 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.072 -1.445 10.824 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.714 -3.419 9.965 1.00 0.00 N ATOM 0 H GLN A 31 2.408 -5.183 6.740 1.00 0.00 H new ATOM 0 HA GLN A 31 3.391 -2.652 7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.007 -3.343 7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.472 -4.725 8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.105 -3.378 10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.199 -1.925 9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.439 -4.289 9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.695 -3.247 10.185 1.00 0.00 H new ATOM 507 N ASP A 32 4.400 -5.536 8.913 1.00 0.00 N ATOM 508 CA ASP A 32 5.369 -6.188 9.785 1.00 0.00 C ATOM 509 C ASP A 32 6.757 -6.197 9.150 1.00 0.00 C ATOM 510 O ASP A 32 7.744 -6.543 9.799 1.00 0.00 O ATOM 511 CB ASP A 32 4.929 -7.614 10.095 1.00 0.00 C ATOM 512 CG ASP A 32 4.687 -7.838 11.575 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.565 -7.466 12.382 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.622 -8.386 11.926 1.00 0.00 O ATOM 0 H ASP A 32 3.936 -6.164 8.257 1.00 0.00 H new ATOM 0 HA ASP A 32 5.420 -5.621 10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.016 -7.837 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.691 -8.310 9.745 1.00 0.00 H new ATOM 519 N LYS A 33 6.824 -5.816 7.878 1.00 0.00 N ATOM 520 CA LYS A 33 8.090 -5.785 7.153 1.00 0.00 C ATOM 521 C LYS A 33 8.582 -4.353 6.967 1.00 0.00 C ATOM 522 O LYS A 33 9.604 -3.959 7.530 1.00 0.00 O ATOM 523 CB LYS A 33 7.939 -6.464 5.791 1.00 0.00 C ATOM 524 CG LYS A 33 8.141 -7.970 5.838 1.00 0.00 C ATOM 525 CD LYS A 33 9.491 -8.368 5.263 1.00 0.00 C ATOM 526 CE LYS A 33 9.685 -9.875 5.289 1.00 0.00 C ATOM 527 NZ LYS A 33 11.028 -10.271 4.783 1.00 0.00 N ATOM 0 H LYS A 33 6.016 -5.524 7.328 1.00 0.00 H new ATOM 0 HA LYS A 33 8.828 -6.328 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.946 -6.251 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.658 -6.031 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.067 -8.316 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.346 -8.463 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.571 -8.007 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.286 -7.888 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.559 -10.240 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.914 -10.351 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.120 -11.306 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.139 -9.946 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.764 -9.838 5.377 1.00 0.00 H new ATOM 541 N GLU A 34 7.851 -3.578 6.171 1.00 0.00 N ATOM 542 CA GLU A 34 8.217 -2.190 5.910 1.00 0.00 C ATOM 543 C GLU A 34 7.580 -1.253 6.933 1.00 0.00 C ATOM 544 O GLU A 34 7.684 -0.032 6.818 1.00 0.00 O ATOM 545 CB GLU A 34 7.792 -1.784 4.498 1.00 0.00 C ATOM 546 CG GLU A 34 8.806 -2.150 3.426 1.00 0.00 C ATOM 547 CD GLU A 34 10.097 -1.365 3.550 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.376 -0.852 4.654 1.00 0.00 O ATOM 549 OE2 GLU A 34 10.830 -1.264 2.544 1.00 0.00 O ATOM 0 H GLU A 34 7.003 -3.887 5.696 1.00 0.00 H new ATOM 0 HA GLU A 34 9.301 -2.107 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.840 -2.261 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.624 -0.707 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.026 -3.216 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.370 -1.972 2.443 1.00 0.00 H new ATOM 556 N GLY A 35 6.920 -1.830 7.932 1.00 0.00 N ATOM 557 CA GLY A 35 6.277 -1.028 8.956 1.00 0.00 C ATOM 558 C GLY A 35 5.249 -0.073 8.383 1.00 0.00 C ATOM 559 O GLY A 35 5.111 1.056 8.853 1.00 0.00 O ATOM 0 H GLY A 35 6.819 -2.838 8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.794 -1.686 9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.034 -0.460 9.497 1.00 0.00 H new ATOM 563 N ILE A 36 4.528 -0.526 7.362 1.00 0.00 N ATOM 564 CA ILE A 36 3.509 0.298 6.723 1.00 0.00 C ATOM 565 C ILE A 36 2.113 -0.263 6.970 1.00 0.00 C ATOM 566 O ILE A 36 1.896 -1.472 6.893 1.00 0.00 O ATOM 567 CB ILE A 36 3.743 0.398 5.204 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.235 0.554 4.903 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.953 1.559 4.621 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.557 0.546 3.425 1.00 0.00 C ATOM 0 H ILE A 36 4.631 -1.458 6.960 1.00 0.00 H new ATOM 0 HA ILE A 36 3.583 1.292 7.165 1.00 0.00 H new ATOM 0 HB ILE A 36 3.394 -0.523 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.590 1.488 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.782 -0.253 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.129 1.616 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.890 1.405 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.273 2.489 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.632 0.661 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.233 -0.398 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.038 1.370 2.935 1.00 0.00 H new ATOM 582 N PRO A 37 1.144 0.615 7.268 1.00 0.00 N ATOM 583 CA PRO A 37 -0.237 0.209 7.521 1.00 0.00 C ATOM 584 C PRO A 37 -0.992 -0.073 6.228 1.00 0.00 C ATOM 585 O PRO A 37 -0.708 0.524 5.192 1.00 0.00 O ATOM 586 CB PRO A 37 -0.827 1.420 8.237 1.00 0.00 C ATOM 587 CG PRO A 37 -0.066 2.581 7.696 1.00 0.00 C ATOM 588 CD PRO A 37 1.319 2.074 7.377 1.00 0.00 C ATOM 0 HA PRO A 37 -0.302 -0.714 8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.894 1.518 8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.710 1.338 9.318 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.549 2.979 6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.024 3.391 8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.697 2.502 6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.030 2.334 8.161 1.00 0.00 H new ATOM 596 N PRO A 38 -1.964 -0.994 6.274 1.00 0.00 N ATOM 597 CA PRO A 38 -2.762 -1.364 5.101 1.00 0.00 C ATOM 598 C PRO A 38 -3.462 -0.165 4.468 1.00 0.00 C ATOM 599 O PRO A 38 -3.649 -0.113 3.252 1.00 0.00 O ATOM 600 CB PRO A 38 -3.795 -2.347 5.662 1.00 0.00 C ATOM 601 CG PRO A 38 -3.183 -2.873 6.915 1.00 0.00 C ATOM 602 CD PRO A 38 -2.354 -1.753 7.473 1.00 0.00 C ATOM 0 HA PRO A 38 -2.141 -1.782 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.744 -1.850 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.000 -3.151 4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.951 -3.181 7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.568 -3.749 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.924 -1.139 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.484 -2.126 8.014 1.00 0.00 H new ATOM 610 N ASP A 39 -3.851 0.795 5.301 1.00 0.00 N ATOM 611 CA ASP A 39 -4.538 1.992 4.824 1.00 0.00 C ATOM 612 C ASP A 39 -3.568 2.976 4.175 1.00 0.00 C ATOM 613 O ASP A 39 -3.956 4.081 3.796 1.00 0.00 O ATOM 614 CB ASP A 39 -5.271 2.674 5.981 1.00 0.00 C ATOM 615 CG ASP A 39 -4.387 2.859 7.199 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.666 3.877 7.259 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.415 1.987 8.091 1.00 0.00 O ATOM 0 H ASP A 39 -3.703 0.768 6.310 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.259 1.681 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.639 3.646 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.143 2.080 6.255 1.00 0.00 H new ATOM 622 N GLN A 40 -2.306 2.575 4.049 1.00 0.00 N ATOM 623 CA GLN A 40 -1.294 3.434 3.444 1.00 0.00 C ATOM 624 C GLN A 40 -0.600 2.735 2.278 1.00 0.00 C ATOM 625 O GLN A 40 0.334 3.277 1.688 1.00 0.00 O ATOM 626 CB GLN A 40 -0.255 3.850 4.488 1.00 0.00 C ATOM 627 CG GLN A 40 -0.772 4.867 5.491 1.00 0.00 C ATOM 628 CD GLN A 40 0.276 5.263 6.511 1.00 0.00 C ATOM 629 OE1 GLN A 40 1.374 4.706 6.538 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.056 6.231 7.358 1.00 0.00 N ATOM 0 H GLN A 40 -1.961 1.665 4.356 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.798 4.322 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.084 2.963 5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.614 4.265 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.111 5.756 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.639 4.455 6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.977 6.665 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.610 6.540 8.066 1.00 0.00 H new ATOM 639 N GLN A 41 -1.057 1.529 1.949 1.00 0.00 N ATOM 640 CA GLN A 41 -0.468 0.770 0.850 1.00 0.00 C ATOM 641 C GLN A 41 -1.498 0.482 -0.237 1.00 0.00 C ATOM 642 O GLN A 41 -2.587 -0.021 0.042 1.00 0.00 O ATOM 643 CB GLN A 41 0.129 -0.544 1.361 1.00 0.00 C ATOM 644 CG GLN A 41 0.100 -0.685 2.874 1.00 0.00 C ATOM 645 CD GLN A 41 0.122 -2.131 3.324 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.083 -3.046 2.525 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.373 -2.348 4.610 1.00 0.00 N ATOM 0 H GLN A 41 -1.828 1.059 2.424 1.00 0.00 H new ATOM 0 HA GLN A 41 0.327 1.378 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.417 -1.377 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.161 -0.621 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.956 -0.162 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.795 -0.201 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.537 -1.561 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.402 -3.302 4.970 1.00 0.00 H new ATOM 656 N ARG A 42 -1.144 0.801 -1.477 1.00 0.00 N ATOM 657 CA ARG A 42 -2.034 0.575 -2.611 1.00 0.00 C ATOM 658 C ARG A 42 -1.419 -0.420 -3.590 1.00 0.00 C ATOM 659 O ARG A 42 -0.321 -0.202 -4.102 1.00 0.00 O ATOM 660 CB ARG A 42 -2.326 1.896 -3.326 1.00 0.00 C ATOM 661 CG ARG A 42 -3.660 2.515 -2.942 1.00 0.00 C ATOM 662 CD ARG A 42 -4.687 2.356 -4.052 1.00 0.00 C ATOM 663 NE ARG A 42 -6.001 2.858 -3.659 1.00 0.00 N ATOM 664 CZ ARG A 42 -6.277 4.146 -3.492 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.334 5.059 -3.682 1.00 0.00 N ATOM 666 NH2 ARG A 42 -7.497 4.524 -3.137 1.00 0.00 N ATOM 0 H ARG A 42 -0.246 1.217 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.968 0.159 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.529 2.604 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.310 1.728 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.031 2.046 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.521 3.573 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.346 2.889 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.767 1.303 -4.323 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.748 2.181 -3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.395 4.772 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.548 6.048 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.225 3.825 -2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.707 5.514 -3.009 1.00 0.00 H new ATOM 680 N LEU A 43 -2.130 -1.514 -3.845 1.00 0.00 N ATOM 681 CA LEU A 43 -1.646 -2.540 -4.764 1.00 0.00 C ATOM 682 C LEU A 43 -2.515 -2.605 -6.015 1.00 0.00 C ATOM 683 O LEU A 43 -3.741 -2.673 -5.931 1.00 0.00 O ATOM 684 CB LEU A 43 -1.621 -3.905 -4.073 1.00 0.00 C ATOM 685 CG LEU A 43 -1.210 -3.882 -2.600 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.302 -5.274 -1.997 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.199 -3.326 -2.450 1.00 0.00 C ATOM 0 H LEU A 43 -3.040 -1.713 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.632 -2.274 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.612 -4.352 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.935 -4.556 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.897 -3.230 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.006 -5.237 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.328 -5.636 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.639 -5.949 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.476 -3.316 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.898 -3.953 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.233 -2.310 -2.843 1.00 0.00 H new ATOM 699 N ILE A 44 -1.868 -2.586 -7.177 1.00 0.00 N ATOM 700 CA ILE A 44 -2.576 -2.645 -8.450 1.00 0.00 C ATOM 701 C ILE A 44 -2.040 -3.777 -9.321 1.00 0.00 C ATOM 702 O ILE A 44 -1.104 -3.585 -10.097 1.00 0.00 O ATOM 703 CB ILE A 44 -2.454 -1.317 -9.223 1.00 0.00 C ATOM 704 CG1 ILE A 44 -3.009 -0.162 -8.388 1.00 0.00 C ATOM 705 CG2 ILE A 44 -3.181 -1.410 -10.556 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.598 1.203 -8.895 1.00 0.00 C ATOM 0 H ILE A 44 -0.853 -2.530 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.626 -2.828 -8.222 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.399 -1.125 -9.419 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.097 -0.223 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.672 -0.275 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.085 -0.464 -11.089 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.744 -2.210 -11.154 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.236 -1.623 -10.381 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.028 1.973 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.511 1.284 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.959 1.336 -9.915 1.00 0.00 H new ATOM 718 N PHE A 45 -2.637 -4.956 -9.185 1.00 0.00 N ATOM 719 CA PHE A 45 -2.215 -6.118 -9.958 1.00 0.00 C ATOM 720 C PHE A 45 -2.794 -6.077 -11.369 1.00 0.00 C ATOM 721 O PHE A 45 -4.011 -6.032 -11.551 1.00 0.00 O ATOM 722 CB PHE A 45 -2.644 -7.409 -9.257 1.00 0.00 C ATOM 723 CG PHE A 45 -2.371 -8.647 -10.063 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.077 -9.142 -10.181 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.407 -9.318 -10.703 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.821 -10.284 -10.923 1.00 0.00 C ATOM 727 CE2 PHE A 45 -3.157 -10.460 -11.447 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.863 -10.944 -11.558 1.00 0.00 C ATOM 0 H PHE A 45 -3.414 -5.132 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.128 -6.095 -10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.124 -7.485 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.710 -7.356 -9.036 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.263 -8.631 -9.689 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.417 -8.945 -10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.188 -10.660 -11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.970 -10.973 -11.940 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.666 -11.834 -12.138 1.00 0.00 H new ATOM 738 N ALA A 46 -1.913 -6.096 -12.364 1.00 0.00 N ATOM 739 CA ALA A 46 -2.335 -6.064 -13.759 1.00 0.00 C ATOM 740 C ALA A 46 -3.237 -4.865 -14.035 1.00 0.00 C ATOM 741 O ALA A 46 -4.105 -4.916 -14.904 1.00 0.00 O ATOM 742 CB ALA A 46 -3.049 -7.357 -14.124 1.00 0.00 C ATOM 0 H ALA A 46 -0.903 -6.133 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.444 -5.965 -14.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.359 -7.319 -15.168 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.374 -8.200 -13.976 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.927 -7.479 -13.490 1.00 0.00 H new ATOM 748 N GLY A 47 -3.023 -3.786 -13.288 1.00 0.00 N ATOM 749 CA GLY A 47 -3.824 -2.590 -13.468 1.00 0.00 C ATOM 750 C GLY A 47 -5.077 -2.597 -12.614 1.00 0.00 C ATOM 751 O GLY A 47 -5.788 -1.595 -12.536 1.00 0.00 O ATOM 0 H GLY A 47 -2.310 -3.719 -12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.224 -1.714 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.104 -2.498 -14.517 1.00 0.00 H new ATOM 755 N LYS A 48 -5.348 -3.728 -11.972 1.00 0.00 N ATOM 756 CA LYS A 48 -6.523 -3.861 -11.120 1.00 0.00 C ATOM 757 C LYS A 48 -6.192 -3.497 -9.676 1.00 0.00 C ATOM 758 O LYS A 48 -5.314 -4.101 -9.059 1.00 0.00 O ATOM 759 CB LYS A 48 -7.069 -5.289 -11.185 1.00 0.00 C ATOM 760 CG LYS A 48 -8.202 -5.462 -12.183 1.00 0.00 C ATOM 761 CD LYS A 48 -9.324 -6.314 -11.611 1.00 0.00 C ATOM 762 CE LYS A 48 -10.614 -6.138 -12.395 1.00 0.00 C ATOM 763 NZ LYS A 48 -11.585 -7.233 -12.122 1.00 0.00 N ATOM 0 H LYS A 48 -4.769 -4.566 -12.026 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.284 -3.172 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.258 -5.968 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.420 -5.580 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.593 -4.484 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.819 -5.925 -13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.029 -7.363 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.491 -6.044 -10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.066 -5.180 -12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.390 -6.110 -13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.451 -7.075 -12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.164 -8.145 -12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.820 -7.244 -11.109 1.00 0.00 H new ATOM 777 N GLN A 49 -6.900 -2.507 -9.143 1.00 0.00 N ATOM 778 CA GLN A 49 -6.682 -2.064 -7.771 1.00 0.00 C ATOM 779 C GLN A 49 -7.217 -3.090 -6.778 1.00 0.00 C ATOM 780 O GLN A 49 -8.424 -3.186 -6.559 1.00 0.00 O ATOM 781 CB GLN A 49 -7.352 -0.709 -7.535 1.00 0.00 C ATOM 782 CG GLN A 49 -6.507 0.253 -6.718 1.00 0.00 C ATOM 783 CD GLN A 49 -5.634 -0.456 -5.702 1.00 0.00 C ATOM 784 OE1 GLN A 49 -4.408 -0.355 -5.741 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.263 -1.182 -4.784 1.00 0.00 N ATOM 0 H GLN A 49 -7.630 -1.996 -9.640 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.608 -1.960 -7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.578 -0.252 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.303 -0.867 -7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.877 0.837 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.160 0.957 -6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.281 -1.238 -4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.727 -1.683 -4.075 1.00 0.00 H new ATOM 794 N LEU A 50 -6.310 -3.856 -6.181 1.00 0.00 N ATOM 795 CA LEU A 50 -6.689 -4.876 -5.211 1.00 0.00 C ATOM 796 C LEU A 50 -7.715 -4.334 -4.221 1.00 0.00 C ATOM 797 O LEU A 50 -7.531 -3.261 -3.646 1.00 0.00 O ATOM 798 CB LEU A 50 -5.455 -5.380 -4.462 1.00 0.00 C ATOM 799 CG LEU A 50 -4.357 -5.972 -5.347 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.387 -6.797 -4.516 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.967 -6.818 -6.454 1.00 0.00 C ATOM 0 H LEU A 50 -5.307 -3.789 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.141 -5.707 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.033 -4.553 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.769 -6.137 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.803 -5.152 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.613 -7.210 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.926 -6.163 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.925 -7.611 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.173 -7.232 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.545 -7.631 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.621 -6.198 -7.067 1.00 0.00 H new ATOM 813 N GLU A 51 -8.796 -5.082 -4.028 1.00 0.00 N ATOM 814 CA GLU A 51 -9.852 -4.678 -3.108 1.00 0.00 C ATOM 815 C GLU A 51 -9.733 -5.423 -1.783 1.00 0.00 C ATOM 816 O GLU A 51 -9.908 -6.640 -1.725 1.00 0.00 O ATOM 817 CB GLU A 51 -11.225 -4.936 -3.731 1.00 0.00 C ATOM 818 CG GLU A 51 -11.490 -4.115 -4.982 1.00 0.00 C ATOM 819 CD GLU A 51 -12.422 -4.813 -5.952 1.00 0.00 C ATOM 820 OE1 GLU A 51 -12.536 -6.054 -5.875 1.00 0.00 O ATOM 821 OE2 GLU A 51 -13.036 -4.119 -6.789 1.00 0.00 O ATOM 0 H GLU A 51 -8.964 -5.972 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.743 -3.611 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.310 -5.995 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.997 -4.717 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.921 -3.155 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.544 -3.904 -5.481 1.00 0.00 H new ATOM 828 N ASP A 52 -9.434 -4.684 -0.718 1.00 0.00 N ATOM 829 CA ASP A 52 -9.292 -5.275 0.608 1.00 0.00 C ATOM 830 C ASP A 52 -10.538 -6.069 0.985 1.00 0.00 C ATOM 831 O ASP A 52 -11.480 -5.528 1.562 1.00 0.00 O ATOM 832 CB ASP A 52 -9.034 -4.186 1.649 1.00 0.00 C ATOM 833 CG ASP A 52 -8.643 -4.756 2.998 1.00 0.00 C ATOM 834 OD1 ASP A 52 -8.891 -5.959 3.229 1.00 0.00 O ATOM 835 OD2 ASP A 52 -8.090 -4.001 3.825 1.00 0.00 O ATOM 0 H ASP A 52 -9.286 -3.675 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.441 -5.956 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.242 -3.527 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.930 -3.575 1.762 1.00 0.00 H new ATOM 840 N GLY A 53 -10.534 -7.357 0.656 1.00 0.00 N ATOM 841 CA GLY A 53 -11.669 -8.204 0.969 1.00 0.00 C ATOM 842 C GLY A 53 -11.662 -9.498 0.181 1.00 0.00 C ATOM 843 O GLY A 53 -12.249 -10.493 0.605 1.00 0.00 O ATOM 0 H GLY A 53 -9.766 -7.828 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.665 -8.431 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.591 -7.661 0.762 1.00 0.00 H new ATOM 847 N ARG A 54 -10.995 -9.486 -0.968 1.00 0.00 N ATOM 848 CA ARG A 54 -10.915 -10.670 -1.817 1.00 0.00 C ATOM 849 C ARG A 54 -9.692 -11.510 -1.465 1.00 0.00 C ATOM 850 O ARG A 54 -8.800 -11.058 -0.748 1.00 0.00 O ATOM 851 CB ARG A 54 -10.862 -10.264 -3.291 1.00 0.00 C ATOM 852 CG ARG A 54 -11.542 -8.936 -3.581 1.00 0.00 C ATOM 853 CD ARG A 54 -12.963 -8.908 -3.043 1.00 0.00 C ATOM 854 NE ARG A 54 -13.907 -8.375 -4.019 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.159 -8.037 -3.725 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.612 -8.178 -2.487 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.957 -7.559 -4.670 1.00 0.00 N ATOM 0 H ARG A 54 -10.502 -8.671 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.808 -11.271 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.820 -10.206 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.333 -11.043 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.966 -8.126 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.556 -8.760 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.264 -9.917 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.996 -8.301 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.589 -8.255 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.000 -8.546 -1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.573 -7.918 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.611 -7.450 -5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.917 -7.300 -4.444 1.00 0.00 H new ATOM 871 N THR A 55 -9.659 -12.737 -1.975 1.00 0.00 N ATOM 872 CA THR A 55 -8.548 -13.645 -1.716 1.00 0.00 C ATOM 873 C THR A 55 -7.483 -13.524 -2.802 1.00 0.00 C ATOM 874 O THR A 55 -7.693 -12.867 -3.821 1.00 0.00 O ATOM 875 CB THR A 55 -9.050 -15.086 -1.637 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.738 -15.442 -2.824 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.985 -15.333 -0.474 1.00 0.00 C ATOM 0 H THR A 55 -10.390 -13.125 -2.571 1.00 0.00 H new ATOM 0 HA THR A 55 -8.100 -13.370 -0.761 1.00 0.00 H new ATOM 0 HB THR A 55 -8.157 -15.695 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.051 -16.368 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.303 -16.376 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.469 -15.115 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.858 -14.687 -0.566 1.00 0.00 H new ATOM 885 N LEU A 56 -6.339 -14.165 -2.578 1.00 0.00 N ATOM 886 CA LEU A 56 -5.243 -14.130 -3.539 1.00 0.00 C ATOM 887 C LEU A 56 -5.613 -14.889 -4.809 1.00 0.00 C ATOM 888 O LEU A 56 -5.480 -14.369 -5.917 1.00 0.00 O ATOM 889 CB LEU A 56 -3.976 -14.728 -2.926 1.00 0.00 C ATOM 890 CG LEU A 56 -3.491 -14.047 -1.644 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.991 -14.227 -1.479 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.853 -12.570 -1.659 1.00 0.00 C ATOM 0 H LEU A 56 -6.148 -14.714 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.054 -13.088 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.156 -15.782 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.177 -14.685 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.988 -14.516 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.664 -13.736 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.756 -15.290 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.475 -13.784 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.501 -12.100 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.382 -12.089 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.935 -12.461 -1.731 1.00 0.00 H new ATOM 904 N SER A 57 -6.076 -16.123 -4.639 1.00 0.00 N ATOM 905 CA SER A 57 -6.466 -16.957 -5.771 1.00 0.00 C ATOM 906 C SER A 57 -7.624 -16.324 -6.537 1.00 0.00 C ATOM 907 O SER A 57 -7.902 -16.693 -7.678 1.00 0.00 O ATOM 908 CB SER A 57 -6.859 -18.354 -5.289 1.00 0.00 C ATOM 909 OG SER A 57 -8.132 -18.728 -5.787 1.00 0.00 O ATOM 0 H SER A 57 -6.190 -16.568 -3.728 1.00 0.00 H new ATOM 0 HA SER A 57 -5.612 -17.040 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.111 -19.078 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.871 -18.376 -4.199 1.00 0.00 H new ATOM 0 HG SER A 57 -8.358 -19.626 -5.465 1.00 0.00 H new ATOM 915 N ASP A 58 -8.296 -15.371 -5.900 1.00 0.00 N ATOM 916 CA ASP A 58 -9.425 -14.686 -6.520 1.00 0.00 C ATOM 917 C ASP A 58 -8.955 -13.775 -7.649 1.00 0.00 C ATOM 918 O ASP A 58 -9.749 -13.349 -8.488 1.00 0.00 O ATOM 919 CB ASP A 58 -10.188 -13.871 -5.475 1.00 0.00 C ATOM 920 CG ASP A 58 -11.256 -14.687 -4.772 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.537 -15.815 -5.227 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.810 -14.197 -3.765 1.00 0.00 O ATOM 0 H ASP A 58 -8.079 -15.055 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.091 -15.440 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.486 -13.484 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.651 -13.010 -5.957 1.00 0.00 H new ATOM 927 N TYR A 59 -7.660 -13.480 -7.665 1.00 0.00 N ATOM 928 CA TYR A 59 -7.084 -12.618 -8.692 1.00 0.00 C ATOM 929 C TYR A 59 -6.167 -13.412 -9.618 1.00 0.00 C ATOM 930 O TYR A 59 -5.136 -12.910 -10.066 1.00 0.00 O ATOM 931 CB TYR A 59 -6.306 -11.470 -8.047 1.00 0.00 C ATOM 932 CG TYR A 59 -7.190 -10.437 -7.384 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.043 -9.634 -8.139 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.171 -10.262 -6.000 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.852 -8.685 -7.533 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.978 -9.315 -5.389 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.816 -8.531 -6.160 1.00 0.00 C ATOM 938 OH TYR A 59 -9.620 -7.589 -5.556 1.00 0.00 O ATOM 0 H TYR A 59 -6.989 -13.825 -6.979 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.901 -12.206 -9.285 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.620 -11.879 -7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.698 -10.981 -8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.074 -9.753 -9.212 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.518 -10.874 -5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.507 -8.069 -8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.952 -9.190 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.442 -7.478 -6.077 1.00 0.00 H new ATOM 948 N ASN A 60 -6.549 -14.653 -9.901 1.00 0.00 N ATOM 949 CA ASN A 60 -5.761 -15.515 -10.774 1.00 0.00 C ATOM 950 C ASN A 60 -4.268 -15.291 -10.555 1.00 0.00 C ATOM 951 O ASN A 60 -3.473 -15.374 -11.492 1.00 0.00 O ATOM 952 CB ASN A 60 -6.118 -15.256 -12.239 1.00 0.00 C ATOM 953 CG ASN A 60 -6.407 -13.793 -12.512 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.516 -13.033 -12.891 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.659 -13.392 -12.322 1.00 0.00 N ATOM 0 H ASN A 60 -7.399 -15.084 -9.538 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.995 -16.551 -10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.296 -15.586 -12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.989 -15.853 -12.509 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.914 -12.419 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.365 -14.057 -12.007 1.00 0.00 H new ATOM 962 N LEU A 61 -3.894 -15.007 -9.312 1.00 0.00 N ATOM 963 CA LEU A 61 -2.496 -14.772 -8.969 1.00 0.00 C ATOM 964 C LEU A 61 -1.685 -16.059 -9.073 1.00 0.00 C ATOM 965 O LEU A 61 -1.955 -17.032 -8.368 1.00 0.00 O ATOM 966 CB LEU A 61 -2.385 -14.195 -7.557 1.00 0.00 C ATOM 967 CG LEU A 61 -2.555 -12.678 -7.465 1.00 0.00 C ATOM 968 CD1 LEU A 61 -3.214 -12.293 -6.150 1.00 0.00 C ATOM 969 CD2 LEU A 61 -1.209 -11.982 -7.612 1.00 0.00 C ATOM 0 H LEU A 61 -4.539 -14.934 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.090 -14.052 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.137 -14.669 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.411 -14.462 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.202 -12.354 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.327 -11.210 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.195 -12.763 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.593 -12.630 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.348 -10.903 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.540 -12.312 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.774 -12.232 -8.580 1.00 0.00 H new ATOM 981 N GLN A 62 -0.692 -16.058 -9.956 1.00 0.00 N ATOM 982 CA GLN A 62 0.158 -17.227 -10.152 1.00 0.00 C ATOM 983 C GLN A 62 1.416 -17.135 -9.295 1.00 0.00 C ATOM 984 O GLN A 62 1.571 -16.209 -8.498 1.00 0.00 O ATOM 985 CB GLN A 62 0.540 -17.362 -11.627 1.00 0.00 C ATOM 986 CG GLN A 62 -0.538 -18.011 -12.478 1.00 0.00 C ATOM 987 CD GLN A 62 -0.023 -18.459 -13.831 1.00 0.00 C ATOM 988 OE1 GLN A 62 0.050 -19.655 -14.116 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.340 -17.499 -14.675 1.00 0.00 N ATOM 0 H GLN A 62 -0.456 -15.261 -10.547 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.403 -18.110 -9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.761 -16.373 -12.028 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.455 -17.949 -11.704 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.947 -18.870 -11.946 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.357 -17.306 -12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.263 -16.520 -14.398 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.696 -17.741 -15.600 1.00 0.00 H new ATOM 998 N LYS A 63 2.312 -18.102 -9.463 1.00 0.00 N ATOM 999 CA LYS A 63 3.557 -18.130 -8.703 1.00 0.00 C ATOM 1000 C LYS A 63 4.505 -17.031 -9.170 1.00 0.00 C ATOM 1001 O LYS A 63 4.784 -16.902 -10.361 1.00 0.00 O ATOM 1002 CB LYS A 63 4.234 -19.496 -8.844 1.00 0.00 C ATOM 1003 CG LYS A 63 5.007 -19.921 -7.606 1.00 0.00 C ATOM 1004 CD LYS A 63 6.113 -20.904 -7.950 1.00 0.00 C ATOM 1005 CE LYS A 63 5.553 -22.206 -8.501 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.474 -22.834 -9.487 1.00 0.00 N ATOM 0 H LYS A 63 2.200 -18.876 -10.118 1.00 0.00 H new ATOM 0 HA LYS A 63 3.317 -17.956 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.476 -20.247 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.914 -19.469 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.437 -19.042 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.325 -20.376 -6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.783 -20.456 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.707 -21.111 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.373 -22.900 -7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.590 -22.015 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.055 -23.719 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.626 -22.183 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.385 -23.040 -9.029 1.00 0.00 H new ATOM 1020 N GLU A 64 4.998 -16.240 -8.222 1.00 0.00 N ATOM 1021 CA GLU A 64 5.916 -15.151 -8.536 1.00 0.00 C ATOM 1022 C GLU A 64 5.217 -14.067 -9.348 1.00 0.00 C ATOM 1023 O GLU A 64 5.442 -13.934 -10.551 1.00 0.00 O ATOM 1024 CB GLU A 64 7.127 -15.683 -9.307 1.00 0.00 C ATOM 1025 CG GLU A 64 7.759 -16.911 -8.672 1.00 0.00 C ATOM 1026 CD GLU A 64 9.098 -17.262 -9.291 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.417 -16.714 -10.367 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.827 -18.087 -8.700 1.00 0.00 O ATOM 0 H GLU A 64 4.777 -16.333 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 64 6.256 -14.713 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.821 -15.927 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.876 -14.895 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.891 -16.736 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.081 -17.759 -8.775 1.00 0.00 H new ATOM 1035 N SER A 65 4.368 -13.291 -8.681 1.00 0.00 N ATOM 1036 CA SER A 65 3.634 -12.216 -9.339 1.00 0.00 C ATOM 1037 C SER A 65 4.226 -10.856 -8.983 1.00 0.00 C ATOM 1038 O SER A 65 4.713 -10.653 -7.870 1.00 0.00 O ATOM 1039 CB SER A 65 2.158 -12.261 -8.943 1.00 0.00 C ATOM 1040 OG SER A 65 1.661 -13.588 -8.975 1.00 0.00 O ATOM 0 H SER A 65 4.171 -13.387 -7.685 1.00 0.00 H new ATOM 0 HA SER A 65 3.719 -12.359 -10.416 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.034 -11.847 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.577 -11.635 -9.621 1.00 0.00 H new ATOM 0 HG SER A 65 2.092 -14.116 -8.270 1.00 0.00 H new ATOM 1046 N THR A 66 4.179 -9.928 -9.931 1.00 0.00 N ATOM 1047 CA THR A 66 4.707 -8.587 -9.715 1.00 0.00 C ATOM 1048 C THR A 66 3.589 -7.614 -9.356 1.00 0.00 C ATOM 1049 O THR A 66 2.786 -7.234 -10.209 1.00 0.00 O ATOM 1050 CB THR A 66 5.445 -8.098 -10.963 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.191 -9.150 -11.548 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.398 -6.956 -10.686 1.00 0.00 C ATOM 0 H THR A 66 3.780 -10.080 -10.857 1.00 0.00 H new ATOM 0 HA THR A 66 5.408 -8.630 -8.882 1.00 0.00 H new ATOM 0 HB THR A 66 4.667 -7.743 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.654 -8.818 -12.345 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.888 -6.658 -11.613 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.844 -6.110 -10.280 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.150 -7.276 -9.965 1.00 0.00 H new ATOM 1060 N ILE A 67 3.543 -7.215 -8.090 1.00 0.00 N ATOM 1061 CA ILE A 67 2.523 -6.287 -7.618 1.00 0.00 C ATOM 1062 C ILE A 67 3.082 -4.874 -7.487 1.00 0.00 C ATOM 1063 O ILE A 67 4.149 -4.669 -6.909 1.00 0.00 O ATOM 1064 CB ILE A 67 1.947 -6.727 -6.259 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.250 -8.082 -6.390 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.983 -5.678 -5.728 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.129 -8.830 -5.080 1.00 0.00 C ATOM 0 H ILE A 67 4.200 -7.520 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 67 1.725 -6.292 -8.361 1.00 0.00 H new ATOM 0 HB ILE A 67 2.768 -6.830 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.254 -7.930 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.801 -8.698 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.584 -6.003 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.509 -4.732 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.164 -5.546 -6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.625 -9.781 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.123 -9.014 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.552 -8.234 -4.373 1.00 0.00 H new ATOM 1079 N HIS A 68 2.353 -3.904 -8.026 1.00 0.00 N ATOM 1080 CA HIS A 68 2.774 -2.510 -7.970 1.00 0.00 C ATOM 1081 C HIS A 68 2.225 -1.826 -6.722 1.00 0.00 C ATOM 1082 O HIS A 68 1.011 -1.713 -6.548 1.00 0.00 O ATOM 1083 CB HIS A 68 2.311 -1.763 -9.222 1.00 0.00 C ATOM 1084 CG HIS A 68 2.699 -2.443 -10.498 1.00 0.00 C ATOM 1085 ND1 HIS A 68 2.831 -1.775 -11.697 1.00 0.00 N ATOM 1086 CD2 HIS A 68 2.987 -3.741 -10.759 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.182 -2.632 -12.640 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.284 -3.830 -12.096 1.00 0.00 N ATOM 0 H HIS A 68 1.467 -4.058 -8.507 1.00 0.00 H new ATOM 0 HA HIS A 68 3.863 -2.487 -7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.227 -1.655 -9.192 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.732 -0.757 -9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.984 -4.554 -10.048 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.356 -2.393 -13.679 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.542 -4.684 -12.590 1.00 0.00 H new ATOM 1097 N LEU A 69 3.126 -1.375 -5.855 1.00 0.00 N ATOM 1098 CA LEU A 69 2.731 -0.704 -4.623 1.00 0.00 C ATOM 1099 C LEU A 69 2.814 0.811 -4.776 1.00 0.00 C ATOM 1100 O LEU A 69 3.826 1.345 -5.233 1.00 0.00 O ATOM 1101 CB LEU A 69 3.615 -1.160 -3.461 1.00 0.00 C ATOM 1102 CG LEU A 69 3.028 -0.920 -2.069 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.410 -2.050 -1.126 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.495 0.419 -1.519 1.00 0.00 C ATOM 0 H LEU A 69 4.134 -1.462 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 69 1.696 -0.973 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.818 -2.225 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.573 -0.644 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 69 1.941 -0.897 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.983 -1.862 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.025 -2.993 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.496 -2.106 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.068 0.574 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.583 0.425 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.169 1.219 -2.184 1.00 0.00 H new ATOM 1116 N VAL A 70 1.744 1.498 -4.393 1.00 0.00 N ATOM 1117 CA VAL A 70 1.694 2.952 -4.488 1.00 0.00 C ATOM 1118 C VAL A 70 1.467 3.584 -3.120 1.00 0.00 C ATOM 1119 O VAL A 70 0.658 3.100 -2.327 1.00 0.00 O ATOM 1120 CB VAL A 70 0.584 3.429 -5.449 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.186 4.179 -6.627 1.00 0.00 C ATOM 1122 CG2 VAL A 70 -0.261 2.258 -5.930 1.00 0.00 C ATOM 0 H VAL A 70 0.899 1.071 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 70 2.660 3.269 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.068 4.111 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.389 4.508 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.736 5.047 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.865 3.520 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.035 2.621 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.373 1.544 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.726 1.769 -5.074 1.00 0.00 H new ATOM 1132 N LEU A 71 2.188 4.666 -2.849 1.00 0.00 N ATOM 1133 CA LEU A 71 2.068 5.368 -1.577 1.00 0.00 C ATOM 1134 C LEU A 71 0.759 6.148 -1.505 1.00 0.00 C ATOM 1135 O LEU A 71 0.756 7.379 -1.532 1.00 0.00 O ATOM 1136 CB LEU A 71 3.252 6.319 -1.383 1.00 0.00 C ATOM 1137 CG LEU A 71 3.712 6.491 0.065 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.747 7.385 0.829 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.843 5.137 0.746 1.00 0.00 C ATOM 0 H LEU A 71 2.863 5.077 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 71 2.071 4.625 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.092 5.955 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.982 7.297 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 71 4.691 6.970 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.091 7.496 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.704 8.365 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.754 6.936 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.171 5.278 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.877 4.631 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.574 4.530 0.212 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.351 5.423 -1.413 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.667 6.047 -1.336 1.00 0.00 C ATOM 1153 C ARG A 72 -1.725 7.300 -2.206 1.00 0.00 C ATOM 1154 O ARG A 72 -1.451 8.406 -1.739 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.002 6.401 0.114 1.00 0.00 C ATOM 1156 CG ARG A 72 -3.201 7.323 0.253 1.00 0.00 C ATOM 1157 CD ARG A 72 -3.851 7.188 1.621 1.00 0.00 C ATOM 1158 NE ARG A 72 -4.508 8.423 2.039 1.00 0.00 N ATOM 1159 CZ ARG A 72 -4.880 8.673 3.290 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -4.661 7.774 4.240 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -5.470 9.820 3.592 1.00 0.00 N ATOM 0 H ARG A 72 -0.366 4.403 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.404 5.334 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.194 5.482 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.135 6.875 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.888 8.355 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.931 7.092 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.581 6.379 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.095 6.913 2.356 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.692 9.134 1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.207 6.890 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.947 7.967 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.640 10.514 2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.755 10.010 4.553 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.084 7.118 -3.472 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.177 8.232 -4.409 1.00 0.00 C ATOM 1177 C LEU A 73 -3.259 9.219 -3.979 1.00 0.00 C ATOM 1178 O LEU A 73 -4.404 9.130 -4.419 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.473 7.715 -5.818 1.00 0.00 C ATOM 1180 CG LEU A 73 -2.184 8.707 -6.947 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -1.280 8.074 -7.994 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -3.481 9.186 -7.579 1.00 0.00 C ATOM 0 H LEU A 73 -2.316 6.209 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.219 8.752 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.885 6.813 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.523 7.426 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.668 9.570 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.085 8.793 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.338 7.780 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.769 7.194 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.257 9.891 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.023 8.333 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.094 9.678 -6.824 1.00 0.00 H new ATOM 1194 N ARG A 74 -2.885 10.159 -3.118 1.00 0.00 N ATOM 1195 CA ARG A 74 -3.821 11.165 -2.628 1.00 0.00 C ATOM 1196 C ARG A 74 -3.131 12.133 -1.673 1.00 0.00 C ATOM 1197 O ARG A 74 -2.763 13.243 -2.058 1.00 0.00 O ATOM 1198 CB ARG A 74 -5.003 10.492 -1.926 1.00 0.00 C ATOM 1199 CG ARG A 74 -6.296 10.546 -2.724 1.00 0.00 C ATOM 1200 CD ARG A 74 -7.273 11.550 -2.134 1.00 0.00 C ATOM 1201 NE ARG A 74 -8.648 11.283 -2.546 1.00 0.00 N ATOM 1202 CZ ARG A 74 -9.640 12.158 -2.415 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -9.408 13.352 -1.888 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -10.865 11.840 -2.812 1.00 0.00 N ATOM 0 H ARG A 74 -1.940 10.246 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.189 11.730 -3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.752 9.450 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.162 10.971 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.076 10.815 -3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.755 9.558 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.209 11.522 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.991 12.556 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.859 10.374 -2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.467 13.600 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.170 14.022 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.047 10.923 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.625 12.513 -2.711 1.00 0.00 H new ATOM 1218 N GLY A 75 -2.958 11.705 -0.427 1.00 0.00 N ATOM 1219 CA GLY A 75 -2.312 12.547 0.563 1.00 0.00 C ATOM 1220 C GLY A 75 -0.818 12.308 0.641 1.00 0.00 C ATOM 1221 O GLY A 75 -0.099 13.038 1.324 1.00 0.00 O ATOM 0 H GLY A 75 -3.253 10.791 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.497 13.594 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.758 12.361 1.540 1.00 0.00 H new ATOM 1225 N GLY A 76 -0.347 11.280 -0.059 1.00 0.00 N ATOM 1226 CA GLY A 76 1.069 10.964 -0.052 1.00 0.00 C ATOM 1227 C GLY A 76 1.620 10.741 -1.447 1.00 0.00 C ATOM 1228 O GLY A 76 2.585 9.960 -1.585 1.00 0.00 O ATOM 1229 OXT GLY A 76 1.087 11.345 -2.399 1.00 0.00 O ATOM 0 H GLY A 76 -0.921 10.661 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.617 11.776 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.236 10.070 0.548 1.00 0.00 H new TER 1233 GLY A 76