USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -22:sc= 0.25 USER MOD Set 2.1: A 17 THR OG1 : rot -155:sc= 1.12 USER MOD Set 2.2: A 34 TYR OH : rot 30:sc= -0.0873 USER MOD Single : A 1 MET CE :methyl -148:sc= 0 (180deg=-0.353) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.101 (180deg=-0.0166) USER MOD Single : A 2 THR OG1 : rot 123:sc= 0.461 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.97) 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.678 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.00674) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= 0.417 X(o=0.42,f=-0.083) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 46 TYR OH : rot -150:sc= -2.52 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -12:sc= -0.198! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.464 1.799 4.084 1.00 0.00 N ATOM 2 CA MET A 1 -15.801 2.095 2.781 1.00 0.00 C ATOM 3 C MET A 1 -14.862 0.950 2.393 1.00 0.00 C ATOM 4 O MET A 1 -14.870 -0.104 3.001 1.00 0.00 O ATOM 5 CB MET A 1 -15.008 3.380 3.022 1.00 0.00 C ATOM 6 CG MET A 1 -15.964 4.574 3.042 1.00 0.00 C ATOM 7 SD MET A 1 -15.091 6.056 2.480 1.00 0.00 S ATOM 8 CE MET A 1 -13.985 6.219 3.903 1.00 0.00 C ATOM 0 H1 MET A 1 -17.495 1.874 3.974 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.217 0.836 4.388 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.142 2.481 4.800 1.00 0.00 H new ATOM 0 HA MET A 1 -16.519 2.206 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.470 3.316 3.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.261 3.511 2.239 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.821 4.378 2.398 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.351 4.727 4.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.775 7.274 4.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.461 5.790 4.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.052 5.692 3.701 1.00 0.00 H new ATOM 20 N THR A 2 -14.056 1.152 1.382 1.00 0.00 N ATOM 21 CA THR A 2 -13.111 0.083 0.941 1.00 0.00 C ATOM 22 C THR A 2 -11.820 0.142 1.761 1.00 0.00 C ATOM 23 O THR A 2 -11.084 1.110 1.704 1.00 0.00 O ATOM 24 CB THR A 2 -12.825 0.389 -0.528 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.053 0.507 -1.234 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.992 -0.741 -1.131 1.00 0.00 C ATOM 0 H THR A 2 -14.012 2.016 0.841 1.00 0.00 H new ATOM 0 HA THR A 2 -13.527 -0.915 1.078 1.00 0.00 H new ATOM 0 HB THR A 2 -12.272 1.325 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.100 1.387 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.788 -0.523 -2.179 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.051 -0.829 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.543 -1.679 -1.056 1.00 0.00 H new ATOM 34 N THR A 3 -11.546 -0.884 2.526 1.00 0.00 N ATOM 35 CA THR A 3 -10.316 -0.900 3.356 1.00 0.00 C ATOM 36 C THR A 3 -9.170 -1.601 2.620 1.00 0.00 C ATOM 37 O THR A 3 -9.068 -2.814 2.628 1.00 0.00 O ATOM 38 CB THR A 3 -10.700 -1.680 4.614 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.966 -1.233 5.078 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.646 -1.451 5.697 1.00 0.00 C ATOM 0 H THR A 3 -12.130 -1.716 2.608 1.00 0.00 H new ATOM 0 HA THR A 3 -9.967 0.107 3.584 1.00 0.00 H new ATOM 0 HB THR A 3 -10.754 -2.744 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.214 -1.733 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.919 -2.007 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.676 -1.795 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.590 -0.388 5.932 1.00 0.00 H new ATOM 48 N PHE A 4 -8.303 -0.846 1.992 1.00 0.00 N ATOM 49 CA PHE A 4 -7.153 -1.463 1.261 1.00 0.00 C ATOM 50 C PHE A 4 -6.024 -1.789 2.247 1.00 0.00 C ATOM 51 O PHE A 4 -6.069 -1.401 3.399 1.00 0.00 O ATOM 52 CB PHE A 4 -6.692 -0.395 0.266 1.00 0.00 C ATOM 53 CG PHE A 4 -7.744 -0.179 -0.792 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.841 -1.055 -1.879 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.618 0.909 -0.690 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.814 -0.844 -2.864 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.588 1.123 -1.674 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.687 0.246 -2.761 1.00 0.00 C ATOM 0 H PHE A 4 -8.342 0.173 1.954 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.431 -2.392 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.496 0.540 0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.755 -0.702 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.165 -1.894 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.543 1.584 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.891 -1.521 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.261 1.964 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.437 0.410 -3.520 1.00 0.00 H new ATOM 68 N LYS A 5 -5.014 -2.493 1.801 1.00 0.00 N ATOM 69 CA LYS A 5 -3.878 -2.841 2.711 1.00 0.00 C ATOM 70 C LYS A 5 -2.553 -2.821 1.943 1.00 0.00 C ATOM 71 O LYS A 5 -2.383 -3.527 0.967 1.00 0.00 O ATOM 72 CB LYS A 5 -4.185 -4.255 3.210 1.00 0.00 C ATOM 73 CG LYS A 5 -4.952 -4.176 4.531 1.00 0.00 C ATOM 74 CD LYS A 5 -5.934 -5.346 4.622 1.00 0.00 C ATOM 75 CE LYS A 5 -7.138 -4.936 5.474 1.00 0.00 C ATOM 76 NZ LYS A 5 -7.537 -6.174 6.201 1.00 0.00 N ATOM 0 H LYS A 5 -4.926 -2.842 0.847 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.779 -2.131 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.773 -4.794 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.258 -4.812 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.257 -4.205 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.490 -3.230 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.263 -5.637 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.443 -6.214 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.876 -4.138 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.952 -4.564 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.358 -5.972 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.787 -6.914 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.745 -6.501 6.790 1.00 0.00 H new ATOM 90 N LEU A 6 -1.613 -2.019 2.382 1.00 0.00 N ATOM 91 CA LEU A 6 -0.293 -1.953 1.683 1.00 0.00 C ATOM 92 C LEU A 6 0.742 -2.804 2.428 1.00 0.00 C ATOM 93 O LEU A 6 0.997 -2.593 3.600 1.00 0.00 O ATOM 94 CB LEU A 6 0.107 -0.468 1.707 1.00 0.00 C ATOM 95 CG LEU A 6 1.515 -0.290 1.113 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.487 -0.597 -0.387 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.989 1.151 1.335 1.00 0.00 C ATOM 0 H LEU A 6 -1.704 -1.408 3.194 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.348 -2.338 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.613 0.120 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.086 -0.094 2.731 1.00 0.00 H new ATOM 0 HG LEU A 6 2.202 -0.977 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.486 -0.470 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.158 -1.624 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.797 0.084 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.987 1.275 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.300 1.840 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.018 1.364 2.404 1.00 0.00 H new ATOM 109 N ILE A 7 1.357 -3.743 1.751 1.00 0.00 N ATOM 110 CA ILE A 7 2.395 -4.582 2.416 1.00 0.00 C ATOM 111 C ILE A 7 3.683 -3.753 2.542 1.00 0.00 C ATOM 112 O ILE A 7 3.811 -2.712 1.922 1.00 0.00 O ATOM 113 CB ILE A 7 2.561 -5.828 1.506 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.014 -7.015 2.358 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.588 -5.594 0.385 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.836 -7.526 3.189 1.00 0.00 C ATOM 0 H ILE A 7 1.184 -3.962 0.770 1.00 0.00 H new ATOM 0 HA ILE A 7 2.131 -4.899 3.425 1.00 0.00 H new ATOM 0 HB ILE A 7 1.597 -6.030 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.394 -7.811 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.832 -6.715 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.671 -6.493 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.263 -4.760 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.559 -5.363 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.159 -8.372 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.477 -6.729 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.032 -7.842 2.524 1.00 0.00 H new ATOM 128 N ILE A 8 4.629 -4.193 3.330 1.00 0.00 N ATOM 129 CA ILE A 8 5.891 -3.410 3.476 1.00 0.00 C ATOM 130 C ILE A 8 7.109 -4.308 3.242 1.00 0.00 C ATOM 131 O ILE A 8 7.808 -4.670 4.167 1.00 0.00 O ATOM 132 CB ILE A 8 5.872 -2.875 4.912 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.618 -2.022 5.130 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.113 -2.013 5.158 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.499 -1.655 6.610 1.00 0.00 C ATOM 0 H ILE A 8 4.583 -5.054 3.875 1.00 0.00 H new ATOM 0 HA ILE A 8 5.957 -2.602 2.748 1.00 0.00 H new ATOM 0 HB ILE A 8 5.867 -3.717 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.671 -1.118 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.732 -2.570 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.096 -1.634 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.009 -2.615 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.118 -1.175 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.607 -1.048 6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.426 -2.565 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.379 -1.090 6.917 1.00 0.00 H new ATOM 147 N ASN A 9 7.378 -4.653 2.007 1.00 0.00 N ATOM 148 CA ASN A 9 8.567 -5.508 1.714 1.00 0.00 C ATOM 149 C ASN A 9 9.741 -4.608 1.327 1.00 0.00 C ATOM 150 O ASN A 9 10.416 -4.829 0.339 1.00 0.00 O ATOM 151 CB ASN A 9 8.149 -6.406 0.544 1.00 0.00 C ATOM 152 CG ASN A 9 7.967 -7.845 1.036 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.732 -8.322 1.851 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.979 -8.559 0.571 1.00 0.00 N ATOM 0 H ASN A 9 6.827 -4.380 1.193 1.00 0.00 H new ATOM 0 HA ASN A 9 8.881 -6.107 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.220 -6.041 0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.905 -6.373 -0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.848 -9.518 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.337 -8.158 -0.113 1.00 0.00 H new ATOM 161 N GLY A 10 9.976 -3.585 2.107 1.00 0.00 N ATOM 162 CA GLY A 10 11.090 -2.641 1.811 1.00 0.00 C ATOM 163 C GLY A 10 12.186 -2.794 2.862 1.00 0.00 C ATOM 164 O GLY A 10 11.926 -3.150 3.996 1.00 0.00 O ATOM 0 H GLY A 10 9.437 -3.363 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.494 -2.840 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.719 -1.616 1.805 1.00 0.00 H new ATOM 168 N LYS A 11 13.409 -2.510 2.495 1.00 0.00 N ATOM 169 CA LYS A 11 14.531 -2.618 3.474 1.00 0.00 C ATOM 170 C LYS A 11 14.441 -1.494 4.518 1.00 0.00 C ATOM 171 O LYS A 11 15.159 -1.502 5.501 1.00 0.00 O ATOM 172 CB LYS A 11 15.807 -2.475 2.642 1.00 0.00 C ATOM 173 CG LYS A 11 16.001 -3.728 1.785 1.00 0.00 C ATOM 174 CD LYS A 11 17.333 -3.635 1.037 1.00 0.00 C ATOM 175 CE LYS A 11 18.475 -4.036 1.973 1.00 0.00 C ATOM 176 NZ LYS A 11 19.681 -4.108 1.100 1.00 0.00 N ATOM 0 H LYS A 11 13.679 -2.208 1.559 1.00 0.00 H new ATOM 0 HA LYS A 11 14.506 -3.561 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.742 -1.593 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.667 -2.333 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.987 -4.618 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.180 -3.827 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.318 -4.288 0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.487 -2.619 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.608 -3.304 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.276 -4.995 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.507 -4.378 1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.528 -4.817 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.850 -3.179 0.664 1.00 0.00 H new ATOM 190 N THR A 12 13.569 -0.529 4.318 1.00 0.00 N ATOM 191 CA THR A 12 13.442 0.585 5.301 1.00 0.00 C ATOM 192 C THR A 12 12.422 0.223 6.383 1.00 0.00 C ATOM 193 O THR A 12 12.585 0.572 7.537 1.00 0.00 O ATOM 194 CB THR A 12 12.955 1.781 4.481 1.00 0.00 C ATOM 195 OG1 THR A 12 13.705 1.864 3.277 1.00 0.00 O ATOM 196 CG2 THR A 12 13.141 3.066 5.289 1.00 0.00 C ATOM 0 H THR A 12 12.943 -0.470 3.515 1.00 0.00 H new ATOM 0 HA THR A 12 14.382 0.796 5.811 1.00 0.00 H new ATOM 0 HB THR A 12 11.899 1.653 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.393 2.629 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.794 3.917 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.566 3.002 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.197 3.196 5.528 1.00 0.00 H new ATOM 204 N LEU A 13 11.370 -0.474 6.020 1.00 0.00 N ATOM 205 CA LEU A 13 10.340 -0.856 7.036 1.00 0.00 C ATOM 206 C LEU A 13 9.768 -2.244 6.728 1.00 0.00 C ATOM 207 O LEU A 13 10.081 -2.843 5.716 1.00 0.00 O ATOM 208 CB LEU A 13 9.249 0.215 6.919 1.00 0.00 C ATOM 209 CG LEU A 13 8.799 0.649 8.321 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.481 1.968 8.694 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.280 0.842 8.334 1.00 0.00 C ATOM 0 H LEU A 13 11.182 -0.793 5.069 1.00 0.00 H new ATOM 0 HA LEU A 13 10.757 -0.907 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.627 1.074 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.400 -0.176 6.359 1.00 0.00 H new ATOM 0 HG LEU A 13 9.075 -0.120 9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.160 2.275 9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.563 1.833 8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.206 2.737 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.961 1.150 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.005 1.610 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.792 -0.096 8.071 1.00 0.00 H new ATOM 223 N LYS A 14 8.932 -2.756 7.598 1.00 0.00 N ATOM 224 CA LYS A 14 8.333 -4.105 7.367 1.00 0.00 C ATOM 225 C LYS A 14 7.013 -4.242 8.134 1.00 0.00 C ATOM 226 O LYS A 14 6.866 -3.725 9.226 1.00 0.00 O ATOM 227 CB LYS A 14 9.370 -5.095 7.901 1.00 0.00 C ATOM 228 CG LYS A 14 9.077 -6.489 7.344 1.00 0.00 C ATOM 229 CD LYS A 14 10.284 -7.399 7.577 1.00 0.00 C ATOM 230 CE LYS A 14 10.147 -8.657 6.716 1.00 0.00 C ATOM 231 NZ LYS A 14 11.536 -9.168 6.555 1.00 0.00 N ATOM 0 H LYS A 14 8.639 -2.296 8.460 1.00 0.00 H new ATOM 0 HA LYS A 14 8.105 -4.279 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.373 -4.779 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.343 -5.114 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.195 -6.907 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.856 -6.427 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.204 -6.872 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.350 -7.671 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.508 -9.397 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.697 -8.427 5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.523 -10.031 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.120 -8.445 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.937 -9.385 7.490 1.00 0.00 H new ATOM 245 N GLY A 15 6.054 -4.935 7.569 1.00 0.00 N ATOM 246 CA GLY A 15 4.743 -5.109 8.257 1.00 0.00 C ATOM 247 C GLY A 15 3.606 -4.844 7.268 1.00 0.00 C ATOM 248 O GLY A 15 3.516 -5.475 6.232 1.00 0.00 O ATOM 0 H GLY A 15 6.126 -5.388 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.662 -6.120 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.671 -4.424 9.102 1.00 0.00 H new ATOM 252 N GLU A 16 2.739 -3.915 7.582 1.00 0.00 N ATOM 253 CA GLU A 16 1.602 -3.602 6.665 1.00 0.00 C ATOM 254 C GLU A 16 0.968 -2.263 7.051 1.00 0.00 C ATOM 255 O GLU A 16 1.227 -1.728 8.112 1.00 0.00 O ATOM 256 CB GLU A 16 0.605 -4.744 6.864 1.00 0.00 C ATOM 257 CG GLU A 16 -0.078 -5.064 5.532 1.00 0.00 C ATOM 258 CD GLU A 16 -1.098 -6.186 5.737 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.837 -7.057 6.550 1.00 0.00 O ATOM 260 OE2 GLU A 16 -2.124 -6.154 5.077 1.00 0.00 O ATOM 0 H GLU A 16 2.770 -3.359 8.436 1.00 0.00 H new ATOM 0 HA GLU A 16 1.920 -3.517 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.119 -5.628 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.140 -4.465 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.573 -4.175 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.665 -5.364 4.793 1.00 0.00 H new ATOM 267 N THR A 17 0.138 -1.721 6.195 1.00 0.00 N ATOM 268 CA THR A 17 -0.520 -0.416 6.505 1.00 0.00 C ATOM 269 C THR A 17 -2.006 -0.474 6.145 1.00 0.00 C ATOM 270 O THR A 17 -2.404 -1.158 5.220 1.00 0.00 O ATOM 271 CB THR A 17 0.203 0.611 5.633 1.00 0.00 C ATOM 272 OG1 THR A 17 1.605 0.397 5.716 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.130 2.022 6.123 1.00 0.00 C ATOM 0 H THR A 17 -0.112 -2.127 5.293 1.00 0.00 H new ATOM 0 HA THR A 17 -0.459 -0.165 7.564 1.00 0.00 H new ATOM 0 HB THR A 17 -0.120 0.502 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.076 1.234 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.385 2.754 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.206 2.185 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.193 2.133 7.158 1.00 0.00 H new ATOM 281 N THR A 18 -2.828 0.240 6.872 1.00 0.00 N ATOM 282 CA THR A 18 -4.293 0.233 6.582 1.00 0.00 C ATOM 283 C THR A 18 -4.860 1.652 6.683 1.00 0.00 C ATOM 284 O THR A 18 -4.415 2.452 7.485 1.00 0.00 O ATOM 285 CB THR A 18 -4.904 -0.665 7.659 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.551 -0.169 8.942 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.376 -2.092 7.498 1.00 0.00 C ATOM 0 H THR A 18 -2.546 0.829 7.656 1.00 0.00 H new ATOM 0 HA THR A 18 -4.513 -0.126 5.577 1.00 0.00 H new ATOM 0 HB THR A 18 -5.989 -0.669 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.943 -0.742 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.812 -2.730 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.648 -2.472 6.513 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.291 -2.092 7.600 1.00 0.00 H new ATOM 295 N THR A 19 -5.840 1.965 5.874 1.00 0.00 N ATOM 296 CA THR A 19 -6.448 3.330 5.913 1.00 0.00 C ATOM 297 C THR A 19 -7.798 3.327 5.189 1.00 0.00 C ATOM 298 O THR A 19 -7.928 2.787 4.106 1.00 0.00 O ATOM 299 CB THR A 19 -5.446 4.241 5.192 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.960 5.564 5.153 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.209 3.743 3.761 1.00 0.00 C ATOM 0 H THR A 19 -6.247 1.332 5.186 1.00 0.00 H new ATOM 0 HA THR A 19 -6.636 3.668 6.932 1.00 0.00 H new ATOM 0 HB THR A 19 -4.499 4.226 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.629 6.020 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.496 4.399 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.811 2.729 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.152 3.747 3.214 1.00 0.00 H new ATOM 309 N GLU A 20 -8.800 3.924 5.781 1.00 0.00 N ATOM 310 CA GLU A 20 -10.149 3.959 5.134 1.00 0.00 C ATOM 311 C GLU A 20 -10.085 4.733 3.814 1.00 0.00 C ATOM 312 O GLU A 20 -9.883 5.933 3.800 1.00 0.00 O ATOM 313 CB GLU A 20 -11.056 4.680 6.134 1.00 0.00 C ATOM 314 CG GLU A 20 -11.344 3.759 7.321 1.00 0.00 C ATOM 315 CD GLU A 20 -12.582 2.911 7.021 1.00 0.00 C ATOM 316 OE1 GLU A 20 -12.486 2.038 6.174 1.00 0.00 O ATOM 317 OE2 GLU A 20 -13.604 3.149 7.642 1.00 0.00 O ATOM 0 H GLU A 20 -8.744 4.390 6.686 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.516 2.960 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.578 5.596 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.989 4.970 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.486 3.114 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.505 4.350 8.223 1.00 0.00 H new ATOM 324 N ALA A 21 -10.259 4.055 2.706 1.00 0.00 N ATOM 325 CA ALA A 21 -10.211 4.748 1.383 1.00 0.00 C ATOM 326 C ALA A 21 -11.439 4.376 0.547 1.00 0.00 C ATOM 327 O ALA A 21 -11.845 3.230 0.503 1.00 0.00 O ATOM 328 CB ALA A 21 -8.932 4.242 0.715 1.00 0.00 C ATOM 0 H ALA A 21 -10.432 3.051 2.662 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.214 5.833 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.825 4.707 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.072 4.499 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.986 3.159 0.599 1.00 0.00 H new ATOM 334 N VAL A 22 -12.031 5.338 -0.115 1.00 0.00 N ATOM 335 CA VAL A 22 -13.237 5.047 -0.951 1.00 0.00 C ATOM 336 C VAL A 22 -12.892 4.026 -2.044 1.00 0.00 C ATOM 337 O VAL A 22 -13.718 3.222 -2.434 1.00 0.00 O ATOM 338 CB VAL A 22 -13.644 6.398 -1.562 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.499 6.960 -2.409 1.00 0.00 C ATOM 340 CG2 VAL A 22 -14.882 6.212 -2.445 1.00 0.00 C ATOM 0 H VAL A 22 -11.732 6.313 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.049 4.614 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.869 7.095 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.798 7.917 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.619 7.102 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.264 6.261 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.168 7.171 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.656 5.507 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.704 5.826 -1.842 1.00 0.00 H new ATOM 350 N ASP A 23 -11.676 4.050 -2.534 1.00 0.00 N ATOM 351 CA ASP A 23 -11.268 3.080 -3.598 1.00 0.00 C ATOM 352 C ASP A 23 -9.759 3.173 -3.852 1.00 0.00 C ATOM 353 O ASP A 23 -9.078 4.013 -3.296 1.00 0.00 O ATOM 354 CB ASP A 23 -12.051 3.495 -4.851 1.00 0.00 C ATOM 355 CG ASP A 23 -11.738 4.953 -5.225 1.00 0.00 C ATOM 356 OD1 ASP A 23 -10.958 5.582 -4.524 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.287 5.416 -6.211 1.00 0.00 O ATOM 0 H ASP A 23 -10.947 4.701 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.480 2.050 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.794 2.837 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.120 3.381 -4.673 1.00 0.00 H new ATOM 362 N ALA A 24 -9.235 2.308 -4.688 1.00 0.00 N ATOM 363 CA ALA A 24 -7.768 2.328 -4.986 1.00 0.00 C ATOM 364 C ALA A 24 -7.321 3.722 -5.445 1.00 0.00 C ATOM 365 O ALA A 24 -6.168 4.087 -5.311 1.00 0.00 O ATOM 366 CB ALA A 24 -7.572 1.310 -6.113 1.00 0.00 C ATOM 0 H ALA A 24 -9.763 1.586 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.176 2.085 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.518 1.269 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.898 0.326 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.160 1.610 -6.980 1.00 0.00 H new ATOM 372 N ALA A 25 -8.227 4.500 -5.985 1.00 0.00 N ATOM 373 CA ALA A 25 -7.857 5.872 -6.454 1.00 0.00 C ATOM 374 C ALA A 25 -7.401 6.728 -5.269 1.00 0.00 C ATOM 375 O ALA A 25 -6.474 7.508 -5.380 1.00 0.00 O ATOM 376 CB ALA A 25 -9.133 6.448 -7.072 1.00 0.00 C ATOM 0 H ALA A 25 -9.205 4.245 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.036 5.853 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.937 7.456 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.453 5.816 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.919 6.483 -6.318 1.00 0.00 H new ATOM 382 N THR A 26 -8.047 6.589 -4.139 1.00 0.00 N ATOM 383 CA THR A 26 -7.656 7.393 -2.941 1.00 0.00 C ATOM 384 C THR A 26 -6.664 6.610 -2.074 1.00 0.00 C ATOM 385 O THR A 26 -5.855 7.186 -1.371 1.00 0.00 O ATOM 386 CB THR A 26 -8.962 7.632 -2.180 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.936 8.160 -3.070 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.717 8.622 -1.041 1.00 0.00 C ATOM 0 H THR A 26 -8.830 5.952 -3.994 1.00 0.00 H new ATOM 0 HA THR A 26 -7.166 8.328 -3.215 1.00 0.00 H new ATOM 0 HB THR A 26 -9.321 6.689 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.453 8.856 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.648 8.791 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.970 8.215 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.358 9.566 -1.451 1.00 0.00 H new ATOM 396 N ALA A 27 -6.723 5.303 -2.120 1.00 0.00 N ATOM 397 CA ALA A 27 -5.787 4.473 -1.299 1.00 0.00 C ATOM 398 C ALA A 27 -4.345 4.650 -1.788 1.00 0.00 C ATOM 399 O ALA A 27 -3.451 4.946 -1.018 1.00 0.00 O ATOM 400 CB ALA A 27 -6.246 3.028 -1.503 1.00 0.00 C ATOM 0 H ALA A 27 -7.380 4.773 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.803 4.761 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.605 2.358 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.277 2.922 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.184 2.772 -2.561 1.00 0.00 H new ATOM 406 N GLU A 28 -4.116 4.467 -3.065 1.00 0.00 N ATOM 407 CA GLU A 28 -2.731 4.619 -3.621 1.00 0.00 C ATOM 408 C GLU A 28 -2.173 6.008 -3.301 1.00 0.00 C ATOM 409 O GLU A 28 -1.004 6.156 -3.010 1.00 0.00 O ATOM 410 CB GLU A 28 -2.887 4.434 -5.131 1.00 0.00 C ATOM 411 CG GLU A 28 -1.522 4.140 -5.757 1.00 0.00 C ATOM 412 CD GLU A 28 -1.526 4.585 -7.221 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.283 4.016 -7.990 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.773 5.487 -7.547 1.00 0.00 O ATOM 0 H GLU A 28 -4.829 4.218 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.035 3.898 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.577 3.616 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.316 5.332 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.738 4.663 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.301 3.075 -5.690 1.00 0.00 H new ATOM 421 N LYS A 29 -3.000 7.022 -3.340 1.00 0.00 N ATOM 422 CA LYS A 29 -2.510 8.402 -3.026 1.00 0.00 C ATOM 423 C LYS A 29 -1.959 8.444 -1.598 1.00 0.00 C ATOM 424 O LYS A 29 -1.017 9.156 -1.305 1.00 0.00 O ATOM 425 CB LYS A 29 -3.733 9.309 -3.157 1.00 0.00 C ATOM 426 CG LYS A 29 -4.070 9.498 -4.637 1.00 0.00 C ATOM 427 CD LYS A 29 -4.990 10.709 -4.800 1.00 0.00 C ATOM 428 CE LYS A 29 -5.286 10.930 -6.285 1.00 0.00 C ATOM 429 NZ LYS A 29 -6.700 11.394 -6.330 1.00 0.00 N ATOM 0 H LYS A 29 -3.990 6.956 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.707 8.716 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.582 8.871 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.535 10.275 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.156 9.642 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.556 8.604 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.919 10.549 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.519 11.596 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.613 11.672 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.154 10.010 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.977 11.567 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.318 10.665 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.794 12.274 -5.785 1.00 0.00 H new ATOM 443 N VAL A 30 -2.540 7.675 -0.713 1.00 0.00 N ATOM 444 CA VAL A 30 -2.060 7.649 0.700 1.00 0.00 C ATOM 445 C VAL A 30 -0.936 6.618 0.841 1.00 0.00 C ATOM 446 O VAL A 30 0.078 6.876 1.463 1.00 0.00 O ATOM 447 CB VAL A 30 -3.283 7.240 1.528 1.00 0.00 C ATOM 448 CG1 VAL A 30 -2.905 7.168 3.010 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.395 8.276 1.341 1.00 0.00 C ATOM 0 H VAL A 30 -3.330 7.061 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.659 8.608 1.027 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.631 6.262 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.778 6.877 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.114 6.431 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.554 8.144 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.265 7.986 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.042 9.253 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.670 8.328 0.288 1.00 0.00 H new ATOM 459 N PHE A 31 -1.109 5.457 0.261 1.00 0.00 N ATOM 460 CA PHE A 31 -0.048 4.408 0.351 1.00 0.00 C ATOM 461 C PHE A 31 1.199 4.869 -0.400 1.00 0.00 C ATOM 462 O PHE A 31 2.314 4.650 0.038 1.00 0.00 O ATOM 463 CB PHE A 31 -0.642 3.163 -0.313 1.00 0.00 C ATOM 464 CG PHE A 31 -1.787 2.633 0.519 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.613 2.396 1.890 1.00 0.00 C ATOM 466 CD2 PHE A 31 -3.022 2.375 -0.083 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.676 1.903 2.655 1.00 0.00 C ATOM 468 CE2 PHE A 31 -4.084 1.882 0.682 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.912 1.646 2.051 1.00 0.00 C ATOM 0 H PHE A 31 -1.938 5.190 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 31 0.246 4.209 1.382 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.992 3.407 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.126 2.397 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.659 2.594 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.156 2.556 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.543 1.721 3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.038 1.683 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.733 1.266 2.641 1.00 0.00 H new ATOM 479 N LYS A 32 1.018 5.513 -1.527 1.00 0.00 N ATOM 480 CA LYS A 32 2.193 5.997 -2.310 1.00 0.00 C ATOM 481 C LYS A 32 2.971 7.024 -1.484 1.00 0.00 C ATOM 482 O LYS A 32 4.170 6.916 -1.311 1.00 0.00 O ATOM 483 CB LYS A 32 1.611 6.651 -3.566 1.00 0.00 C ATOM 484 CG LYS A 32 2.748 7.090 -4.499 1.00 0.00 C ATOM 485 CD LYS A 32 2.863 6.111 -5.670 1.00 0.00 C ATOM 486 CE LYS A 32 3.553 6.802 -6.847 1.00 0.00 C ATOM 487 NZ LYS A 32 2.459 7.500 -7.578 1.00 0.00 N ATOM 0 H LYS A 32 0.108 5.723 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 32 2.880 5.190 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.956 5.949 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.002 7.512 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.557 8.096 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.689 7.126 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.431 5.231 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.873 5.765 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.310 7.507 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.058 6.080 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.867 8.217 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.920 6.809 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.825 7.962 -6.895 1.00 0.00 H new ATOM 501 N GLN A 33 2.287 8.013 -0.959 1.00 0.00 N ATOM 502 CA GLN A 33 2.975 9.047 -0.124 1.00 0.00 C ATOM 503 C GLN A 33 3.604 8.383 1.100 1.00 0.00 C ATOM 504 O GLN A 33 4.631 8.804 1.596 1.00 0.00 O ATOM 505 CB GLN A 33 1.878 10.029 0.294 1.00 0.00 C ATOM 506 CG GLN A 33 2.511 11.243 0.977 1.00 0.00 C ATOM 507 CD GLN A 33 2.721 12.357 -0.052 1.00 0.00 C ATOM 508 OE1 GLN A 33 1.887 13.229 -0.198 1.00 0.00 O ATOM 509 NE2 GLN A 33 3.807 12.365 -0.775 1.00 0.00 N ATOM 0 H GLN A 33 1.282 8.148 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 33 3.775 9.553 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.308 10.346 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.178 9.541 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.869 11.595 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.464 10.965 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.507 11.633 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.956 13.103 -1.463 1.00 0.00 H new ATOM 518 N TYR A 34 2.992 7.334 1.568 1.00 0.00 N ATOM 519 CA TYR A 34 3.534 6.597 2.748 1.00 0.00 C ATOM 520 C TYR A 34 4.843 5.905 2.339 1.00 0.00 C ATOM 521 O TYR A 34 5.837 5.971 3.038 1.00 0.00 O ATOM 522 CB TYR A 34 2.428 5.582 3.113 1.00 0.00 C ATOM 523 CG TYR A 34 2.972 4.455 3.967 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.059 4.605 5.353 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.389 3.265 3.362 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.564 3.561 6.139 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.894 2.221 4.144 1.00 0.00 C ATOM 528 CZ TYR A 34 3.982 2.368 5.534 1.00 0.00 C ATOM 529 OH TYR A 34 4.480 1.339 6.307 1.00 0.00 O ATOM 0 H TYR A 34 2.130 6.949 1.181 1.00 0.00 H new ATOM 0 HA TYR A 34 3.770 7.235 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.627 6.092 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.993 5.172 2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.737 5.525 5.818 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.321 3.152 2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.631 3.676 7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.216 1.302 3.676 1.00 0.00 H new ATOM 0 HH TYR A 34 4.064 1.365 7.194 1.00 0.00 H new ATOM 539 N ALA A 35 4.839 5.247 1.210 1.00 0.00 N ATOM 540 CA ALA A 35 6.072 4.549 0.739 1.00 0.00 C ATOM 541 C ALA A 35 7.100 5.575 0.258 1.00 0.00 C ATOM 542 O ALA A 35 8.287 5.427 0.479 1.00 0.00 O ATOM 543 CB ALA A 35 5.613 3.663 -0.419 1.00 0.00 C ATOM 0 H ALA A 35 4.032 5.162 0.591 1.00 0.00 H new ATOM 0 HA ALA A 35 6.546 3.966 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.467 3.116 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.864 2.956 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.180 4.284 -1.203 1.00 0.00 H new ATOM 549 N ASN A 36 6.650 6.614 -0.401 1.00 0.00 N ATOM 550 CA ASN A 36 7.592 7.658 -0.903 1.00 0.00 C ATOM 551 C ASN A 36 8.381 8.269 0.260 1.00 0.00 C ATOM 552 O ASN A 36 9.592 8.376 0.209 1.00 0.00 O ATOM 553 CB ASN A 36 6.706 8.719 -1.562 1.00 0.00 C ATOM 554 CG ASN A 36 6.332 8.268 -2.975 1.00 0.00 C ATOM 555 OD1 ASN A 36 6.247 7.087 -3.246 1.00 0.00 O ATOM 556 ND2 ASN A 36 6.104 9.167 -3.893 1.00 0.00 N ATOM 0 H ASN A 36 5.667 6.783 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 36 8.321 7.246 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.805 8.875 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.231 9.673 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.854 8.878 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.176 10.159 -3.665 1.00 0.00 H new ATOM 563 N ASP A 37 7.699 8.667 1.304 1.00 0.00 N ATOM 564 CA ASP A 37 8.403 9.272 2.478 1.00 0.00 C ATOM 565 C ASP A 37 9.374 8.259 3.089 1.00 0.00 C ATOM 566 O ASP A 37 10.555 8.521 3.218 1.00 0.00 O ATOM 567 CB ASP A 37 7.297 9.623 3.476 1.00 0.00 C ATOM 568 CG ASP A 37 6.641 10.943 3.068 1.00 0.00 C ATOM 569 OD1 ASP A 37 7.365 11.848 2.686 1.00 0.00 O ATOM 570 OD2 ASP A 37 5.427 11.026 3.143 1.00 0.00 O ATOM 0 H ASP A 37 6.685 8.600 1.395 1.00 0.00 H new ATOM 0 HA ASP A 37 8.988 10.148 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.552 8.828 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.712 9.706 4.480 1.00 0.00 H new ATOM 575 N ASN A 38 8.882 7.105 3.465 1.00 0.00 N ATOM 576 CA ASN A 38 9.773 6.066 4.069 1.00 0.00 C ATOM 577 C ASN A 38 10.861 5.661 3.071 1.00 0.00 C ATOM 578 O ASN A 38 12.031 5.610 3.402 1.00 0.00 O ATOM 579 CB ASN A 38 8.860 4.876 4.373 1.00 0.00 C ATOM 580 CG ASN A 38 8.025 5.179 5.619 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.563 5.477 6.667 1.00 0.00 O ATOM 582 ND2 ASN A 38 6.724 5.113 5.549 1.00 0.00 N ATOM 0 H ASN A 38 7.902 6.837 3.380 1.00 0.00 H new ATOM 0 HA ASN A 38 10.276 6.429 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.206 4.679 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.456 3.978 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.158 5.312 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.273 4.863 4.669 1.00 0.00 H new ATOM 589 N GLY A 39 10.479 5.374 1.853 1.00 0.00 N ATOM 590 CA GLY A 39 11.481 4.973 0.823 1.00 0.00 C ATOM 591 C GLY A 39 11.138 3.583 0.283 1.00 0.00 C ATOM 592 O GLY A 39 11.984 2.711 0.214 1.00 0.00 O ATOM 0 H GLY A 39 9.513 5.401 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.490 5.698 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.481 4.969 1.257 1.00 0.00 H new ATOM 596 N ILE A 40 9.903 3.372 -0.104 1.00 0.00 N ATOM 597 CA ILE A 40 9.504 2.037 -0.645 1.00 0.00 C ATOM 598 C ILE A 40 9.041 2.167 -2.100 1.00 0.00 C ATOM 599 O ILE A 40 7.863 2.095 -2.394 1.00 0.00 O ATOM 600 CB ILE A 40 8.361 1.557 0.259 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.898 1.379 1.685 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.814 0.214 -0.253 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.757 1.001 2.633 1.00 0.00 C ATOM 0 H ILE A 40 9.156 4.066 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 40 10.333 1.330 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 40 7.557 2.293 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.665 0.604 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.371 2.302 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.003 -0.119 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.440 0.337 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.611 -0.529 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.149 0.877 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.005 1.790 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.304 0.066 2.302 1.00 0.00 H new ATOM 615 N ASP A 41 9.966 2.332 -3.010 1.00 0.00 N ATOM 616 CA ASP A 41 9.598 2.438 -4.452 1.00 0.00 C ATOM 617 C ASP A 41 9.799 1.075 -5.117 1.00 0.00 C ATOM 618 O ASP A 41 10.280 0.974 -6.229 1.00 0.00 O ATOM 619 CB ASP A 41 10.558 3.474 -5.039 1.00 0.00 C ATOM 620 CG ASP A 41 10.296 4.837 -4.396 1.00 0.00 C ATOM 621 OD1 ASP A 41 9.183 5.322 -4.515 1.00 0.00 O ATOM 622 OD2 ASP A 41 11.213 5.373 -3.796 1.00 0.00 O ATOM 0 H ASP A 41 10.965 2.398 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 41 8.560 2.732 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.590 3.170 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.424 3.538 -6.119 1.00 0.00 H new ATOM 627 N GLY A 42 9.442 0.027 -4.422 1.00 0.00 N ATOM 628 CA GLY A 42 9.611 -1.348 -4.967 1.00 0.00 C ATOM 629 C GLY A 42 8.722 -1.548 -6.189 1.00 0.00 C ATOM 630 O GLY A 42 8.598 -0.682 -7.034 1.00 0.00 O ATOM 0 H GLY A 42 9.035 0.069 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.654 -1.513 -5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.359 -2.083 -4.202 1.00 0.00 H new ATOM 634 N GLU A 43 8.095 -2.691 -6.273 1.00 0.00 N ATOM 635 CA GLU A 43 7.197 -2.981 -7.414 1.00 0.00 C ATOM 636 C GLU A 43 5.768 -3.080 -6.897 1.00 0.00 C ATOM 637 O GLU A 43 5.436 -3.968 -6.133 1.00 0.00 O ATOM 638 CB GLU A 43 7.672 -4.319 -7.982 1.00 0.00 C ATOM 639 CG GLU A 43 8.988 -4.118 -8.737 1.00 0.00 C ATOM 640 CD GLU A 43 9.538 -5.477 -9.174 1.00 0.00 C ATOM 641 OE1 GLU A 43 8.813 -6.203 -9.835 1.00 0.00 O ATOM 642 OE2 GLU A 43 10.675 -5.768 -8.842 1.00 0.00 O ATOM 0 H GLU A 43 8.172 -3.442 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 43 7.219 -2.208 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.810 -5.039 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.916 -4.730 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.827 -3.482 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.711 -3.609 -8.100 1.00 0.00 H new ATOM 649 N TRP A 44 4.935 -2.150 -7.273 1.00 0.00 N ATOM 650 CA TRP A 44 3.543 -2.153 -6.770 1.00 0.00 C ATOM 651 C TRP A 44 2.640 -3.103 -7.546 1.00 0.00 C ATOM 652 O TRP A 44 2.730 -3.244 -8.750 1.00 0.00 O ATOM 653 CB TRP A 44 3.065 -0.716 -6.912 1.00 0.00 C ATOM 654 CG TRP A 44 3.633 0.070 -5.785 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.934 0.420 -5.663 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.954 0.585 -4.609 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.094 1.125 -4.484 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.901 1.251 -3.800 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.618 0.541 -4.171 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.537 1.849 -2.596 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.248 1.145 -2.960 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.207 1.797 -2.173 1.00 0.00 C ATOM 0 H TRP A 44 5.164 -1.387 -7.910 1.00 0.00 H new ATOM 0 HA TRP A 44 3.506 -2.506 -5.739 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.386 -0.300 -7.867 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.976 -0.673 -6.896 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.718 0.188 -6.369 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.983 1.505 -4.160 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.873 0.039 -4.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.279 2.350 -1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.219 1.107 -2.633 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.918 2.259 -1.240 1.00 0.00 H new ATOM 673 N THR A 45 1.751 -3.731 -6.836 1.00 0.00 N ATOM 674 CA THR A 45 0.784 -4.668 -7.458 1.00 0.00 C ATOM 675 C THR A 45 -0.470 -4.695 -6.590 1.00 0.00 C ATOM 676 O THR A 45 -0.394 -4.817 -5.381 1.00 0.00 O ATOM 677 CB THR A 45 1.467 -6.034 -7.473 1.00 0.00 C ATOM 678 OG1 THR A 45 2.199 -6.214 -6.270 1.00 0.00 O ATOM 679 CG2 THR A 45 2.417 -6.116 -8.669 1.00 0.00 C ATOM 0 H THR A 45 1.653 -3.631 -5.826 1.00 0.00 H new ATOM 0 HA THR A 45 0.498 -4.378 -8.469 1.00 0.00 H new ATOM 0 HB THR A 45 0.712 -6.816 -7.555 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.635 -7.091 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.905 -7.091 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.853 -5.982 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.172 -5.334 -8.589 1.00 0.00 H new ATOM 687 N TYR A 46 -1.612 -4.554 -7.192 1.00 0.00 N ATOM 688 CA TYR A 46 -2.879 -4.537 -6.408 1.00 0.00 C ATOM 689 C TYR A 46 -3.566 -5.907 -6.491 1.00 0.00 C ATOM 690 O TYR A 46 -4.101 -6.283 -7.517 1.00 0.00 O ATOM 691 CB TYR A 46 -3.705 -3.427 -7.083 1.00 0.00 C ATOM 692 CG TYR A 46 -5.156 -3.453 -6.643 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.526 -2.971 -5.380 1.00 0.00 C ATOM 694 CD2 TYR A 46 -6.133 -3.944 -7.517 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.869 -2.982 -4.994 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.477 -3.952 -7.131 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.847 -3.472 -5.871 1.00 0.00 C ATOM 698 OH TYR A 46 -9.174 -3.477 -5.496 1.00 0.00 O ATOM 0 H TYR A 46 -1.727 -4.449 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.739 -4.346 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.271 -2.456 -6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.652 -3.543 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.773 -2.591 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.849 -4.317 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.154 -2.613 -4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.230 -4.329 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.635 -4.222 -5.935 1.00 0.00 H new ATOM 708 N ASP A 47 -3.554 -6.646 -5.411 1.00 0.00 N ATOM 709 CA ASP A 47 -4.203 -7.990 -5.409 1.00 0.00 C ATOM 710 C ASP A 47 -5.719 -7.838 -5.267 1.00 0.00 C ATOM 711 O ASP A 47 -6.231 -7.628 -4.183 1.00 0.00 O ATOM 712 CB ASP A 47 -3.621 -8.716 -4.195 1.00 0.00 C ATOM 713 CG ASP A 47 -3.447 -10.201 -4.520 1.00 0.00 C ATOM 714 OD1 ASP A 47 -2.987 -10.499 -5.610 1.00 0.00 O ATOM 715 OD2 ASP A 47 -3.778 -11.015 -3.674 1.00 0.00 O ATOM 0 H ASP A 47 -3.121 -6.375 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.020 -8.538 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.661 -8.278 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.281 -8.596 -3.336 1.00 0.00 H new ATOM 720 N ASP A 48 -6.435 -7.940 -6.358 1.00 0.00 N ATOM 721 CA ASP A 48 -7.924 -7.803 -6.301 1.00 0.00 C ATOM 722 C ASP A 48 -8.531 -8.912 -5.433 1.00 0.00 C ATOM 723 O ASP A 48 -9.612 -8.765 -4.893 1.00 0.00 O ATOM 724 CB ASP A 48 -8.398 -7.929 -7.755 1.00 0.00 C ATOM 725 CG ASP A 48 -7.962 -9.281 -8.333 1.00 0.00 C ATOM 726 OD1 ASP A 48 -6.768 -9.482 -8.483 1.00 0.00 O ATOM 727 OD2 ASP A 48 -8.831 -10.089 -8.616 1.00 0.00 O ATOM 0 H ASP A 48 -6.053 -8.113 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.231 -6.856 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.483 -7.837 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.983 -7.118 -8.353 1.00 0.00 H new ATOM 732 N ALA A 49 -7.846 -10.023 -5.299 1.00 0.00 N ATOM 733 CA ALA A 49 -8.376 -11.153 -4.474 1.00 0.00 C ATOM 734 C ALA A 49 -8.756 -10.676 -3.065 1.00 0.00 C ATOM 735 O ALA A 49 -9.696 -11.169 -2.470 1.00 0.00 O ATOM 736 CB ALA A 49 -7.234 -12.169 -4.401 1.00 0.00 C ATOM 0 H ALA A 49 -6.937 -10.195 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.279 -11.578 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.549 -13.029 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.974 -12.497 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.365 -11.706 -3.934 1.00 0.00 H new ATOM 742 N THR A 50 -8.030 -9.725 -2.531 1.00 0.00 N ATOM 743 CA THR A 50 -8.346 -9.217 -1.161 1.00 0.00 C ATOM 744 C THR A 50 -8.015 -7.722 -1.041 1.00 0.00 C ATOM 745 O THR A 50 -7.899 -7.194 0.048 1.00 0.00 O ATOM 746 CB THR A 50 -7.459 -10.038 -0.223 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.097 -9.860 -0.586 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.829 -11.519 -0.331 1.00 0.00 C ATOM 0 H THR A 50 -7.233 -9.279 -2.985 1.00 0.00 H new ATOM 0 HA THR A 50 -9.405 -9.319 -0.924 1.00 0.00 H new ATOM 0 HB THR A 50 -7.609 -9.704 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.527 -10.384 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.196 -12.102 0.338 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.874 -11.654 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.681 -11.857 -1.357 1.00 0.00 H new ATOM 756 N LYS A 51 -7.867 -7.031 -2.151 1.00 0.00 N ATOM 757 CA LYS A 51 -7.549 -5.564 -2.108 1.00 0.00 C ATOM 758 C LYS A 51 -6.355 -5.285 -1.184 1.00 0.00 C ATOM 759 O LYS A 51 -6.524 -4.995 -0.013 1.00 0.00 O ATOM 760 CB LYS A 51 -8.819 -4.891 -1.564 1.00 0.00 C ATOM 761 CG LYS A 51 -9.411 -3.964 -2.632 1.00 0.00 C ATOM 762 CD LYS A 51 -10.566 -4.674 -3.344 1.00 0.00 C ATOM 763 CE LYS A 51 -11.740 -4.841 -2.375 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.911 -5.153 -3.241 1.00 0.00 N ATOM 0 H LYS A 51 -7.953 -7.423 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.273 -5.185 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.550 -5.648 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.584 -4.322 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.766 -3.042 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.642 -3.685 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.879 -4.098 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.239 -5.648 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.552 -5.643 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.907 -3.932 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.756 -5.282 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.070 -4.369 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.726 -6.027 -3.774 1.00 0.00 H new ATOM 778 N THR A 52 -5.157 -5.365 -1.703 1.00 0.00 N ATOM 779 CA THR A 52 -3.957 -5.102 -0.856 1.00 0.00 C ATOM 780 C THR A 52 -2.775 -4.648 -1.716 1.00 0.00 C ATOM 781 O THR A 52 -2.184 -5.432 -2.434 1.00 0.00 O ATOM 782 CB THR A 52 -3.644 -6.442 -0.186 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.789 -6.895 0.521 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.475 -6.270 0.786 1.00 0.00 C ATOM 0 H THR A 52 -4.959 -5.601 -2.675 1.00 0.00 H new ATOM 0 HA THR A 52 -4.138 -4.309 -0.130 1.00 0.00 H new ATOM 0 HB THR A 52 -3.374 -7.174 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.376 -6.135 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.254 -7.225 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.597 -5.924 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.741 -5.538 1.548 1.00 0.00 H new ATOM 792 N PHE A 53 -2.413 -3.389 -1.631 1.00 0.00 N ATOM 793 CA PHE A 53 -1.249 -2.884 -2.427 1.00 0.00 C ATOM 794 C PHE A 53 0.010 -3.644 -2.002 1.00 0.00 C ATOM 795 O PHE A 53 0.318 -3.725 -0.828 1.00 0.00 O ATOM 796 CB PHE A 53 -1.127 -1.401 -2.071 1.00 0.00 C ATOM 797 CG PHE A 53 -2.276 -0.633 -2.680 1.00 0.00 C ATOM 798 CD1 PHE A 53 -3.474 -0.482 -1.969 1.00 0.00 C ATOM 799 CD2 PHE A 53 -2.144 -0.068 -3.954 1.00 0.00 C ATOM 800 CE1 PHE A 53 -4.537 0.233 -2.531 1.00 0.00 C ATOM 801 CE2 PHE A 53 -3.207 0.649 -4.516 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.403 0.799 -3.806 1.00 0.00 C ATOM 0 H PHE A 53 -2.872 -2.691 -1.046 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.378 -3.024 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.127 -1.276 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.179 -1.006 -2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.577 -0.918 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.222 -0.185 -4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.460 0.349 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.104 1.086 -5.498 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.223 1.351 -4.241 1.00 0.00 H new ATOM 812 N THR A 54 0.718 -4.235 -2.929 1.00 0.00 N ATOM 813 CA THR A 54 1.931 -5.023 -2.533 1.00 0.00 C ATOM 814 C THR A 54 3.232 -4.475 -3.144 1.00 0.00 C ATOM 815 O THR A 54 3.591 -4.819 -4.255 1.00 0.00 O ATOM 816 CB THR A 54 1.654 -6.435 -3.054 1.00 0.00 C ATOM 817 OG1 THR A 54 0.409 -6.889 -2.543 1.00 0.00 O ATOM 818 CG2 THR A 54 2.768 -7.383 -2.603 1.00 0.00 C ATOM 0 H THR A 54 0.516 -4.210 -3.929 1.00 0.00 H new ATOM 0 HA THR A 54 2.086 -4.979 -1.455 1.00 0.00 H new ATOM 0 HB THR A 54 1.619 -6.417 -4.143 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.228 -7.793 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.565 -8.387 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.723 -7.035 -2.996 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.810 -7.403 -1.514 1.00 0.00 H new ATOM 826 N VAL A 55 3.967 -3.667 -2.406 1.00 0.00 N ATOM 827 CA VAL A 55 5.268 -3.155 -2.925 1.00 0.00 C ATOM 828 C VAL A 55 6.414 -3.981 -2.319 1.00 0.00 C ATOM 829 O VAL A 55 6.222 -4.729 -1.376 1.00 0.00 O ATOM 830 CB VAL A 55 5.383 -1.671 -2.514 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.515 -1.532 -0.999 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.624 -1.064 -3.170 1.00 0.00 C ATOM 0 H VAL A 55 3.717 -3.345 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 55 5.324 -3.241 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 55 4.481 -1.153 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.594 -0.477 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.637 -1.961 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.408 -2.058 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.711 -0.016 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.511 -1.605 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.536 -1.138 -4.254 1.00 0.00 H new ATOM 842 N THR A 56 7.595 -3.845 -2.853 1.00 0.00 N ATOM 843 CA THR A 56 8.760 -4.612 -2.329 1.00 0.00 C ATOM 844 C THR A 56 10.065 -3.943 -2.774 1.00 0.00 C ATOM 845 O THR A 56 10.419 -3.975 -3.939 1.00 0.00 O ATOM 846 CB THR A 56 8.613 -5.993 -2.970 1.00 0.00 C ATOM 847 OG1 THR A 56 7.401 -6.589 -2.530 1.00 0.00 O ATOM 848 CG2 THR A 56 9.792 -6.890 -2.579 1.00 0.00 C ATOM 0 H THR A 56 7.805 -3.229 -3.638 1.00 0.00 H new ATOM 0 HA THR A 56 8.787 -4.662 -1.240 1.00 0.00 H new ATOM 0 HB THR A 56 8.599 -5.880 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.033 -6.070 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.673 -7.869 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.723 -6.437 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.820 -7.003 -1.495 1.00 0.00 H new ATOM 856 N GLU A 57 10.778 -3.337 -1.857 1.00 0.00 N ATOM 857 CA GLU A 57 12.060 -2.661 -2.223 1.00 0.00 C ATOM 858 C GLU A 57 13.234 -3.629 -2.045 1.00 0.00 C ATOM 859 O GLU A 57 13.171 -4.446 -1.141 1.00 0.00 O ATOM 860 CB GLU A 57 12.182 -1.479 -1.253 1.00 0.00 C ATOM 861 CG GLU A 57 12.547 -0.208 -2.027 1.00 0.00 C ATOM 862 CD GLU A 57 13.935 -0.366 -2.651 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.906 -0.102 -1.962 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.003 -0.747 -3.808 1.00 0.00 O ATOM 865 OXT GLU A 57 14.175 -3.536 -2.816 1.00 0.00 O ATOM 0 H GLU A 57 10.527 -3.282 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 57 12.072 -2.333 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.242 -1.335 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.944 -1.690 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.807 -0.019 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.534 0.653 -1.359 1.00 0.00 H new TER 872 GLU A 57