USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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 -28:sc= 0.18 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.0563 USER MOD Set 2.1: A 33 GLN : amide:sc= -1.99! K(o=-2.6!,f=1) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.626! K(o=-2.6!,f=0.65) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.281 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.0915 (180deg=-0.574!) USER MOD Single : A 9 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 1.35 (180deg=0.492) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= 1.21 (180deg=-0.155) USER MOD Single : A 17 THR OG1 : rot 180:sc= 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 -160:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.26 K(o=1.3,f=-0.012) USER MOD Single : A 45 THR OG1 : rot -50:sc= -0.314 USER MOD Single : A 46 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0.879 (180deg=0.722) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.208 -0.438 0.744 1.00 0.00 N ATOM 2 CA MET A 1 -15.499 -1.031 -0.404 1.00 0.00 C ATOM 3 C MET A 1 -14.920 0.098 -1.258 1.00 0.00 C ATOM 4 O MET A 1 -15.025 1.265 -0.875 1.00 0.00 O ATOM 5 CB MET A 1 -16.390 -2.029 -1.165 1.00 0.00 C ATOM 6 CG MET A 1 -15.584 -2.959 -2.086 1.00 0.00 C ATOM 7 SD MET A 1 -15.913 -4.728 -1.900 1.00 0.00 S ATOM 8 CE MET A 1 -14.546 -5.353 -2.910 1.00 0.00 C ATOM 0 H1 MET A 1 -15.916 -0.919 1.619 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.976 0.574 0.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.234 -0.550 0.614 1.00 0.00 H new ATOM 0 HA MET A 1 -14.659 -1.638 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.950 -2.630 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.120 -1.479 -1.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.784 -2.678 -3.120 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.523 -2.785 -1.908 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.572 -6.443 -2.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.643 -4.975 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.599 -5.018 -2.488 1.00 0.00 H new ATOM 18 N GLY A 2 -14.347 -0.226 -2.416 1.00 0.00 N ATOM 19 CA GLY A 2 -13.740 0.700 -3.348 1.00 0.00 C ATOM 20 C GLY A 2 -12.366 0.186 -3.748 1.00 0.00 C ATOM 21 O GLY A 2 -11.882 -0.837 -3.243 1.00 0.00 O ATOM 0 H GLY A 2 -14.295 -1.192 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.370 0.810 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.653 1.687 -2.893 1.00 0.00 H new ATOM 25 N THR A 3 -11.752 0.876 -4.699 1.00 0.00 N ATOM 26 CA THR A 3 -10.432 0.544 -5.192 1.00 0.00 C ATOM 27 C THR A 3 -9.426 1.277 -4.315 1.00 0.00 C ATOM 28 O THR A 3 -9.613 2.450 -3.976 1.00 0.00 O ATOM 29 CB THR A 3 -10.308 0.958 -6.664 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.371 0.375 -7.389 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.986 0.478 -7.274 1.00 0.00 C ATOM 0 H THR A 3 -12.165 1.691 -5.152 1.00 0.00 H new ATOM 0 HA THR A 3 -10.246 -0.529 -5.145 1.00 0.00 H new ATOM 0 HB THR A 3 -10.340 2.046 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.304 0.633 -8.332 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.933 0.789 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.152 0.912 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.932 -0.609 -7.216 1.00 0.00 H new ATOM 39 N TYR A 4 -8.365 0.594 -3.921 1.00 0.00 N ATOM 40 CA TYR A 4 -7.290 1.120 -3.109 1.00 0.00 C ATOM 41 C TYR A 4 -6.032 1.131 -3.975 1.00 0.00 C ATOM 42 O TYR A 4 -5.898 0.307 -4.886 1.00 0.00 O ATOM 43 CB TYR A 4 -7.124 0.236 -1.871 1.00 0.00 C ATOM 44 CG TYR A 4 -8.212 0.463 -0.850 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.094 1.517 0.076 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.348 -0.361 -0.839 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.095 1.729 1.040 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.367 -0.118 0.087 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.249 0.920 1.037 1.00 0.00 C ATOM 50 OH TYR A 4 -11.262 1.165 1.908 1.00 0.00 O ATOM 0 H TYR A 4 -8.227 -0.385 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.495 2.133 -2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.126 -0.811 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.154 0.434 -1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.231 2.165 0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.434 -1.177 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.980 2.508 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.255 -0.732 0.076 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.979 0.512 1.767 1.00 0.00 H new ATOM 60 N LYS A 5 -5.088 2.028 -3.685 1.00 0.00 N ATOM 61 CA LYS A 5 -3.823 2.164 -4.403 1.00 0.00 C ATOM 62 C LYS A 5 -2.681 2.196 -3.405 1.00 0.00 C ATOM 63 O LYS A 5 -2.826 2.730 -2.308 1.00 0.00 O ATOM 64 CB LYS A 5 -3.821 3.426 -5.282 1.00 0.00 C ATOM 65 CG LYS A 5 -2.659 3.401 -6.297 1.00 0.00 C ATOM 66 CD LYS A 5 -1.580 4.465 -6.094 1.00 0.00 C ATOM 67 CE LYS A 5 -2.062 5.795 -6.676 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.951 6.734 -6.924 1.00 0.00 N ATOM 0 H LYS A 5 -5.187 2.698 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.695 1.307 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.769 3.503 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.737 4.311 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.187 2.419 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.073 3.516 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.361 4.578 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.654 4.157 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.593 5.609 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.775 6.252 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.275 7.708 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.162 6.515 -6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.633 6.643 -7.910 1.00 0.00 H new ATOM 82 N LEU A 6 -1.537 1.639 -3.770 1.00 0.00 N ATOM 83 CA LEU A 6 -0.350 1.608 -2.929 1.00 0.00 C ATOM 84 C LEU A 6 0.770 2.320 -3.654 1.00 0.00 C ATOM 85 O LEU A 6 0.880 2.197 -4.873 1.00 0.00 O ATOM 86 CB LEU A 6 0.059 0.161 -2.661 1.00 0.00 C ATOM 87 CG LEU A 6 1.375 -0.032 -1.872 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.292 0.565 -0.458 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.681 -1.531 -1.800 1.00 0.00 C ATOM 0 H LEU A 6 -1.405 1.188 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.558 2.099 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.746 -0.329 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.152 -0.353 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 6 2.175 0.496 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.238 0.407 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.090 1.634 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.489 0.078 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.607 -1.687 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.864 -2.045 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.790 -1.929 -2.809 1.00 0.00 H new ATOM 101 N ILE A 7 1.590 3.023 -2.883 1.00 0.00 N ATOM 102 CA ILE A 7 2.757 3.761 -3.334 1.00 0.00 C ATOM 103 C ILE A 7 3.925 3.249 -2.492 1.00 0.00 C ATOM 104 O ILE A 7 4.026 3.508 -1.293 1.00 0.00 O ATOM 105 CB ILE A 7 2.554 5.286 -3.244 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.293 5.731 -4.013 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.810 6.014 -3.760 1.00 0.00 C ATOM 108 CD1 ILE A 7 1.060 7.246 -4.003 1.00 0.00 C ATOM 0 H ILE A 7 1.449 3.096 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 7 2.954 3.592 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 7 2.402 5.554 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.371 5.392 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.423 5.237 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.659 7.091 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.670 5.730 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.991 5.736 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.155 7.479 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.948 7.590 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.911 7.748 -4.463 1.00 0.00 H new ATOM 120 N LEU A 8 4.751 2.409 -3.096 1.00 0.00 N ATOM 121 CA LEU A 8 5.928 1.833 -2.484 1.00 0.00 C ATOM 122 C LEU A 8 7.027 2.880 -2.614 1.00 0.00 C ATOM 123 O LEU A 8 7.506 3.128 -3.719 1.00 0.00 O ATOM 124 CB LEU A 8 6.328 0.556 -3.229 1.00 0.00 C ATOM 125 CG LEU A 8 5.413 -0.641 -3.035 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.987 -1.807 -3.849 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.264 -1.098 -1.595 1.00 0.00 C ATOM 0 H LEU A 8 4.611 2.102 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 8 5.751 1.569 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.379 0.781 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.333 0.275 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 8 4.420 -0.332 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.350 -2.683 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.028 -1.530 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.992 -2.038 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.594 -1.956 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.240 -1.380 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.851 -0.286 -0.996 1.00 0.00 H new ATOM 139 N ASN A 9 7.385 3.524 -1.508 1.00 0.00 N ATOM 140 CA ASN A 9 8.427 4.545 -1.438 1.00 0.00 C ATOM 141 C ASN A 9 9.621 3.988 -0.673 1.00 0.00 C ATOM 142 O ASN A 9 9.975 4.441 0.423 1.00 0.00 O ATOM 143 CB ASN A 9 7.913 5.829 -0.766 1.00 0.00 C ATOM 144 CG ASN A 9 7.168 6.756 -1.697 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.105 6.569 -2.907 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.607 7.800 -1.133 1.00 0.00 N ATOM 0 H ASN A 9 6.944 3.345 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 9 8.728 4.806 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.256 5.556 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.759 6.365 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.104 8.479 -1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.674 7.932 -0.124 1.00 0.00 H new ATOM 153 N GLY A 10 10.357 3.094 -1.319 1.00 0.00 N ATOM 154 CA GLY A 10 11.521 2.481 -0.727 1.00 0.00 C ATOM 155 C GLY A 10 12.786 3.198 -1.115 1.00 0.00 C ATOM 156 O GLY A 10 12.894 3.802 -2.180 1.00 0.00 O ATOM 0 H GLY A 10 10.157 2.778 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.420 2.482 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.583 1.439 -1.040 1.00 0.00 H new ATOM 160 N LYS A 11 13.768 3.153 -0.225 1.00 0.00 N ATOM 161 CA LYS A 11 15.063 3.793 -0.445 1.00 0.00 C ATOM 162 C LYS A 11 15.902 3.025 -1.462 1.00 0.00 C ATOM 163 O LYS A 11 16.916 3.560 -1.917 1.00 0.00 O ATOM 164 CB LYS A 11 15.827 3.893 0.885 1.00 0.00 C ATOM 165 CG LYS A 11 15.076 4.598 2.025 1.00 0.00 C ATOM 166 CD LYS A 11 14.573 6.015 1.698 1.00 0.00 C ATOM 167 CE LYS A 11 13.197 6.062 1.010 1.00 0.00 C ATOM 168 NZ LYS A 11 12.099 5.645 1.906 1.00 0.00 N ATOM 0 H LYS A 11 13.692 2.672 0.671 1.00 0.00 H new ATOM 0 HA LYS A 11 14.880 4.791 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.087 2.886 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.763 4.422 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.222 3.984 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.734 4.654 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.523 6.591 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.303 6.507 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.007 7.075 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.211 5.415 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.298 5.304 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.431 4.882 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.795 6.455 2.483 1.00 0.00 H new ATOM 182 N THR A 12 15.460 1.843 -1.885 1.00 0.00 N ATOM 183 CA THR A 12 16.165 0.977 -2.821 1.00 0.00 C ATOM 184 C THR A 12 15.313 0.677 -4.056 1.00 0.00 C ATOM 185 O THR A 12 15.833 0.685 -5.173 1.00 0.00 O ATOM 186 CB THR A 12 16.591 -0.298 -2.069 1.00 0.00 C ATOM 187 OG1 THR A 12 15.458 -0.958 -1.556 1.00 0.00 O ATOM 188 CG2 THR A 12 17.493 -0.005 -0.864 1.00 0.00 C ATOM 0 H THR A 12 14.571 1.451 -1.574 1.00 0.00 H new ATOM 0 HA THR A 12 17.056 1.478 -3.198 1.00 0.00 H new ATOM 0 HB THR A 12 17.133 -0.902 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.738 -1.768 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.761 -0.941 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.398 0.500 -1.201 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.962 0.635 -0.159 1.00 0.00 H new ATOM 196 N LEU A 13 14.007 0.453 -3.881 1.00 0.00 N ATOM 197 CA LEU A 13 13.038 0.157 -4.946 1.00 0.00 C ATOM 198 C LEU A 13 11.805 0.991 -4.678 1.00 0.00 C ATOM 199 O LEU A 13 11.586 1.337 -3.522 1.00 0.00 O ATOM 200 CB LEU A 13 12.700 -1.355 -4.913 1.00 0.00 C ATOM 201 CG LEU A 13 11.393 -1.839 -5.601 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.513 -3.320 -5.971 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.149 -1.747 -4.700 1.00 0.00 C ATOM 0 H LEU A 13 13.576 0.473 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 13 13.438 0.395 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.532 -1.891 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.658 -1.662 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 13 11.271 -1.185 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.593 -3.650 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.350 -3.457 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.682 -3.908 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.276 -2.102 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.296 -2.363 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.993 -0.711 -4.400 1.00 0.00 H new ATOM 215 N LYS A 14 11.016 1.336 -5.692 1.00 0.00 N ATOM 216 CA LYS A 14 9.759 2.078 -5.571 1.00 0.00 C ATOM 217 C LYS A 14 8.773 1.460 -6.558 1.00 0.00 C ATOM 218 O LYS A 14 9.186 0.759 -7.490 1.00 0.00 O ATOM 219 CB LYS A 14 9.887 3.595 -5.796 1.00 0.00 C ATOM 220 CG LYS A 14 10.562 4.354 -4.641 1.00 0.00 C ATOM 221 CD LYS A 14 11.699 5.295 -5.031 1.00 0.00 C ATOM 222 CE LYS A 14 12.848 4.582 -5.726 1.00 0.00 C ATOM 223 NZ LYS A 14 13.754 3.955 -4.755 1.00 0.00 N ATOM 0 H LYS A 14 11.241 1.099 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 14 9.412 1.991 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.456 3.768 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.892 4.011 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.800 4.934 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.949 3.624 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.310 6.073 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.075 5.792 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.452 3.822 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.403 5.293 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.081 3.040 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.573 4.576 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.251 3.804 -3.857 1.00 0.00 H new ATOM 237 N GLY A 15 7.475 1.676 -6.383 1.00 0.00 N ATOM 238 CA GLY A 15 6.467 1.126 -7.281 1.00 0.00 C ATOM 239 C GLY A 15 5.054 1.531 -6.892 1.00 0.00 C ATOM 240 O GLY A 15 4.859 2.232 -5.900 1.00 0.00 O ATOM 0 H GLY A 15 7.093 2.234 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.670 1.461 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.542 0.039 -7.283 1.00 0.00 H new ATOM 244 N GLU A 16 4.066 1.122 -7.690 1.00 0.00 N ATOM 245 CA GLU A 16 2.655 1.398 -7.444 1.00 0.00 C ATOM 246 C GLU A 16 1.837 0.186 -7.891 1.00 0.00 C ATOM 247 O GLU A 16 2.235 -0.536 -8.809 1.00 0.00 O ATOM 248 CB GLU A 16 2.168 2.674 -8.156 1.00 0.00 C ATOM 249 CG GLU A 16 2.674 3.948 -7.465 1.00 0.00 C ATOM 250 CD GLU A 16 2.012 5.237 -7.953 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.850 5.217 -8.427 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.620 6.324 -7.818 1.00 0.00 O ATOM 0 H GLU A 16 4.230 0.581 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 16 2.521 1.575 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.509 2.664 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.078 2.683 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.510 3.854 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.750 4.026 -7.618 1.00 0.00 H new ATOM 259 N THR A 17 0.717 -0.082 -7.221 1.00 0.00 N ATOM 260 CA THR A 17 -0.194 -1.186 -7.518 1.00 0.00 C ATOM 261 C THR A 17 -1.581 -0.797 -6.977 1.00 0.00 C ATOM 262 O THR A 17 -1.674 0.083 -6.117 1.00 0.00 O ATOM 263 CB THR A 17 0.369 -2.504 -6.929 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.256 -3.626 -7.511 1.00 0.00 O ATOM 265 CG2 THR A 17 0.234 -2.616 -5.401 1.00 0.00 C ATOM 0 H THR A 17 0.409 0.483 -6.430 1.00 0.00 H new ATOM 0 HA THR A 17 -0.292 -1.366 -8.589 1.00 0.00 H new ATOM 0 HB THR A 17 1.432 -2.483 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.117 -4.446 -7.124 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.651 -3.566 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.774 -1.796 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.819 -2.565 -5.124 1.00 0.00 H new ATOM 273 N THR A 18 -2.654 -1.436 -7.439 1.00 0.00 N ATOM 274 CA THR A 18 -4.030 -1.169 -7.021 1.00 0.00 C ATOM 275 C THR A 18 -4.748 -2.498 -6.774 1.00 0.00 C ATOM 276 O THR A 18 -4.420 -3.496 -7.417 1.00 0.00 O ATOM 277 CB THR A 18 -4.780 -0.358 -8.103 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.561 -0.855 -9.412 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.365 1.110 -8.128 1.00 0.00 C ATOM 0 H THR A 18 -2.588 -2.177 -8.137 1.00 0.00 H new ATOM 0 HA THR A 18 -4.015 -0.582 -6.102 1.00 0.00 H new ATOM 0 HB THR A 18 -5.830 -0.458 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.058 -0.309 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.922 1.632 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.579 1.565 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.297 1.183 -8.335 1.00 0.00 H new ATOM 287 N THR A 19 -5.635 -2.554 -5.783 1.00 0.00 N ATOM 288 CA THR A 19 -6.429 -3.728 -5.429 1.00 0.00 C ATOM 289 C THR A 19 -7.783 -3.226 -4.911 1.00 0.00 C ATOM 290 O THR A 19 -7.880 -2.083 -4.460 1.00 0.00 O ATOM 291 CB THR A 19 -5.658 -4.634 -4.451 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.259 -5.904 -4.311 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.585 -4.015 -3.065 1.00 0.00 C ATOM 0 H THR A 19 -5.828 -1.753 -5.182 1.00 0.00 H new ATOM 0 HA THR A 19 -6.620 -4.368 -6.290 1.00 0.00 H new ATOM 0 HB THR A 19 -4.661 -4.743 -4.878 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.570 -6.572 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.035 -4.679 -2.398 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.074 -3.054 -3.122 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.594 -3.868 -2.679 1.00 0.00 H new ATOM 301 N GLU A 20 -8.855 -4.000 -5.035 1.00 0.00 N ATOM 302 CA GLU A 20 -10.175 -3.609 -4.548 1.00 0.00 C ATOM 303 C GLU A 20 -10.358 -4.333 -3.219 1.00 0.00 C ATOM 304 O GLU A 20 -10.225 -5.558 -3.176 1.00 0.00 O ATOM 305 CB GLU A 20 -11.254 -3.958 -5.576 1.00 0.00 C ATOM 306 CG GLU A 20 -10.977 -3.236 -6.905 1.00 0.00 C ATOM 307 CD GLU A 20 -12.111 -3.356 -7.920 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.005 -4.215 -7.756 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.122 -2.559 -8.893 1.00 0.00 O ATOM 0 H GLU A 20 -8.834 -4.919 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.263 -2.533 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.277 -5.036 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.235 -3.671 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.793 -2.181 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.065 -3.640 -7.344 1.00 0.00 H new ATOM 316 N ALA A 21 -10.636 -3.608 -2.130 1.00 0.00 N ATOM 317 CA ALA A 21 -10.805 -4.197 -0.810 1.00 0.00 C ATOM 318 C ALA A 21 -12.143 -3.817 -0.191 1.00 0.00 C ATOM 319 O ALA A 21 -12.651 -2.702 -0.351 1.00 0.00 O ATOM 320 CB ALA A 21 -9.650 -3.767 0.084 1.00 0.00 C ATOM 0 H ALA A 21 -10.749 -2.594 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.800 -5.282 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.773 -4.206 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.709 -4.106 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.640 -2.680 0.168 1.00 0.00 H new ATOM 326 N VAL A 22 -12.673 -4.736 0.604 1.00 0.00 N ATOM 327 CA VAL A 22 -13.952 -4.567 1.275 1.00 0.00 C ATOM 328 C VAL A 22 -13.870 -3.470 2.329 1.00 0.00 C ATOM 329 O VAL A 22 -14.788 -2.656 2.417 1.00 0.00 O ATOM 330 CB VAL A 22 -14.447 -5.913 1.836 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.719 -6.347 3.112 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.952 -5.855 2.102 1.00 0.00 C ATOM 0 H VAL A 22 -12.221 -5.629 0.803 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.697 -4.238 0.551 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.225 -6.659 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.118 -7.303 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.654 -6.451 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.866 -5.596 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.289 -6.813 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.163 -5.068 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.478 -5.642 1.171 1.00 0.00 H new ATOM 342 N ASP A 23 -12.769 -3.384 3.069 1.00 0.00 N ATOM 343 CA ASP A 23 -12.520 -2.399 4.111 1.00 0.00 C ATOM 344 C ASP A 23 -11.034 -2.057 4.098 1.00 0.00 C ATOM 345 O ASP A 23 -10.233 -2.701 3.405 1.00 0.00 O ATOM 346 CB ASP A 23 -13.027 -2.856 5.494 1.00 0.00 C ATOM 347 CG ASP A 23 -12.396 -4.118 6.096 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.223 -4.434 5.802 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.094 -4.799 6.884 1.00 0.00 O ATOM 0 H ASP A 23 -11.990 -4.032 2.951 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.093 -1.495 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.875 -2.036 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.102 -3.019 5.421 1.00 0.00 H new ATOM 354 N ALA A 24 -10.680 -1.010 4.843 1.00 0.00 N ATOM 355 CA ALA A 24 -9.315 -0.535 4.946 1.00 0.00 C ATOM 356 C ALA A 24 -8.395 -1.611 5.521 1.00 0.00 C ATOM 357 O ALA A 24 -7.220 -1.627 5.167 1.00 0.00 O ATOM 358 CB ALA A 24 -9.272 0.740 5.792 1.00 0.00 C ATOM 0 H ALA A 24 -11.345 -0.468 5.394 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.951 -0.303 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.243 1.093 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.886 1.509 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.656 0.528 6.790 1.00 0.00 H new ATOM 364 N ALA A 25 -8.892 -2.499 6.394 1.00 0.00 N ATOM 365 CA ALA A 25 -8.060 -3.549 6.962 1.00 0.00 C ATOM 366 C ALA A 25 -7.631 -4.525 5.866 1.00 0.00 C ATOM 367 O ALA A 25 -6.441 -4.807 5.773 1.00 0.00 O ATOM 368 CB ALA A 25 -8.745 -4.216 8.155 1.00 0.00 C ATOM 0 H ALA A 25 -9.860 -2.505 6.715 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.146 -3.113 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.098 -4.996 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.938 -3.471 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.688 -4.657 7.833 1.00 0.00 H new ATOM 374 N THR A 26 -8.539 -5.027 5.019 1.00 0.00 N ATOM 375 CA THR A 26 -8.157 -5.944 3.939 1.00 0.00 C ATOM 376 C THR A 26 -7.156 -5.220 3.044 1.00 0.00 C ATOM 377 O THR A 26 -6.151 -5.809 2.654 1.00 0.00 O ATOM 378 CB THR A 26 -9.373 -6.377 3.103 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.297 -7.170 3.825 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.024 -7.136 1.815 1.00 0.00 C ATOM 0 H THR A 26 -9.536 -4.815 5.060 1.00 0.00 H new ATOM 0 HA THR A 26 -7.722 -6.844 4.373 1.00 0.00 H new ATOM 0 HB THR A 26 -9.825 -5.421 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.860 -7.669 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.941 -7.402 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.409 -6.503 1.175 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.473 -8.043 2.065 1.00 0.00 H new ATOM 388 N ALA A 27 -7.418 -3.945 2.737 1.00 0.00 N ATOM 389 CA ALA A 27 -6.549 -3.175 1.876 1.00 0.00 C ATOM 390 C ALA A 27 -5.127 -3.117 2.421 1.00 0.00 C ATOM 391 O ALA A 27 -4.173 -3.445 1.713 1.00 0.00 O ATOM 392 CB ALA A 27 -7.119 -1.753 1.716 1.00 0.00 C ATOM 0 H ALA A 27 -8.231 -3.433 3.080 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.505 -3.666 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.466 -1.170 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.114 -1.807 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.181 -1.274 2.693 1.00 0.00 H new ATOM 398 N GLU A 28 -5.004 -2.743 3.687 1.00 0.00 N ATOM 399 CA GLU A 28 -3.752 -2.615 4.403 1.00 0.00 C ATOM 400 C GLU A 28 -3.015 -3.957 4.469 1.00 0.00 C ATOM 401 O GLU A 28 -1.810 -3.987 4.246 1.00 0.00 O ATOM 402 CB GLU A 28 -4.080 -2.031 5.781 1.00 0.00 C ATOM 403 CG GLU A 28 -2.877 -1.497 6.557 1.00 0.00 C ATOM 404 CD GLU A 28 -3.374 -0.993 7.910 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.976 0.102 7.980 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.277 -1.763 8.897 1.00 0.00 O ATOM 0 H GLU A 28 -5.812 -2.511 4.264 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.064 -1.944 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.800 -1.223 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.567 -2.801 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.132 -2.281 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.394 -0.691 6.004 1.00 0.00 H new ATOM 413 N LYS A 29 -3.716 -5.066 4.737 1.00 0.00 N ATOM 414 CA LYS A 29 -3.109 -6.400 4.809 1.00 0.00 C ATOM 415 C LYS A 29 -2.585 -6.808 3.438 1.00 0.00 C ATOM 416 O LYS A 29 -1.426 -7.207 3.316 1.00 0.00 O ATOM 417 CB LYS A 29 -4.141 -7.446 5.245 1.00 0.00 C ATOM 418 CG LYS A 29 -4.689 -7.269 6.668 1.00 0.00 C ATOM 419 CD LYS A 29 -6.045 -7.980 6.762 1.00 0.00 C ATOM 420 CE LYS A 29 -6.804 -7.522 7.999 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.204 -8.009 8.001 1.00 0.00 N ATOM 0 H LYS A 29 -4.721 -5.063 4.910 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.297 -6.355 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.977 -7.422 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.688 -8.434 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.993 -7.685 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.800 -6.210 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.634 -7.771 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.894 -9.059 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.293 -7.882 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.798 -6.433 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.686 -7.675 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.699 -7.645 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.210 -9.049 7.982 1.00 0.00 H new ATOM 435 N VAL A 30 -3.426 -6.685 2.407 1.00 0.00 N ATOM 436 CA VAL A 30 -3.048 -7.053 1.045 1.00 0.00 C ATOM 437 C VAL A 30 -1.821 -6.258 0.623 1.00 0.00 C ATOM 438 O VAL A 30 -0.853 -6.818 0.100 1.00 0.00 O ATOM 439 CB VAL A 30 -4.261 -6.866 0.113 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.939 -6.905 -1.387 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.238 -8.005 0.394 1.00 0.00 C ATOM 0 H VAL A 30 -4.379 -6.331 2.494 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.767 -8.104 0.986 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.658 -5.873 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.856 -6.765 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.235 -6.109 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.498 -7.869 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.111 -7.903 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.750 -8.960 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.551 -7.967 1.437 1.00 0.00 H new ATOM 451 N PHE A 31 -1.840 -4.947 0.853 1.00 0.00 N ATOM 452 CA PHE A 31 -0.718 -4.112 0.495 1.00 0.00 C ATOM 453 C PHE A 31 0.500 -4.451 1.334 1.00 0.00 C ATOM 454 O PHE A 31 1.581 -4.496 0.754 1.00 0.00 O ATOM 455 CB PHE A 31 -1.111 -2.643 0.564 1.00 0.00 C ATOM 456 CG PHE A 31 -1.966 -2.126 -0.580 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.018 -2.767 -1.841 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.665 -0.920 -0.395 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.738 -2.199 -2.900 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.379 -0.350 -1.464 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.413 -0.987 -2.716 1.00 0.00 C ATOM 0 H PHE A 31 -2.620 -4.451 1.284 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.434 -4.311 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.649 -2.475 1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.200 -2.046 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.498 -3.702 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.654 -0.431 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.772 -2.696 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.904 0.583 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.959 -0.542 -3.535 1.00 0.00 H new ATOM 471 N LYS A 32 0.376 -4.732 2.637 1.00 0.00 N ATOM 472 CA LYS A 32 1.530 -5.093 3.464 1.00 0.00 C ATOM 473 C LYS A 32 2.226 -6.300 2.870 1.00 0.00 C ATOM 474 O LYS A 32 3.442 -6.290 2.705 1.00 0.00 O ATOM 475 CB LYS A 32 1.140 -5.376 4.922 1.00 0.00 C ATOM 476 CG LYS A 32 1.321 -4.140 5.824 1.00 0.00 C ATOM 477 CD LYS A 32 1.922 -4.545 7.172 1.00 0.00 C ATOM 478 CE LYS A 32 2.437 -3.347 7.980 1.00 0.00 C ATOM 479 NZ LYS A 32 1.351 -2.497 8.501 1.00 0.00 N ATOM 0 H LYS A 32 -0.512 -4.716 3.139 1.00 0.00 H new ATOM 0 HA LYS A 32 2.207 -4.239 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.101 -5.703 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.747 -6.196 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.970 -3.415 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.359 -3.652 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.169 -5.074 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.742 -5.243 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.040 -3.709 8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.092 -2.745 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.758 -1.705 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.790 -2.126 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.739 -3.060 9.125 1.00 0.00 H new ATOM 493 N GLN A 33 1.460 -7.327 2.516 1.00 0.00 N ATOM 494 CA GLN A 33 2.002 -8.535 1.945 1.00 0.00 C ATOM 495 C GLN A 33 2.692 -8.197 0.627 1.00 0.00 C ATOM 496 O GLN A 33 3.794 -8.685 0.383 1.00 0.00 O ATOM 497 CB GLN A 33 0.866 -9.548 1.752 1.00 0.00 C ATOM 498 CG GLN A 33 1.373 -10.945 1.375 1.00 0.00 C ATOM 499 CD GLN A 33 1.835 -11.717 2.603 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.043 -12.412 3.235 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.087 -11.591 3.006 1.00 0.00 N ATOM 0 H GLN A 33 0.445 -7.336 2.621 1.00 0.00 H new ATOM 0 HA GLN A 33 2.744 -8.981 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.284 -9.614 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.193 -9.188 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.580 -11.498 0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.197 -10.856 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.738 -11.012 2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.403 -12.073 3.848 1.00 0.00 H new ATOM 510 N TYR A 34 2.077 -7.344 -0.196 1.00 0.00 N ATOM 511 CA TYR A 34 2.669 -6.988 -1.484 1.00 0.00 C ATOM 512 C TYR A 34 3.963 -6.193 -1.294 1.00 0.00 C ATOM 513 O TYR A 34 4.944 -6.397 -2.003 1.00 0.00 O ATOM 514 CB TYR A 34 1.655 -6.218 -2.327 1.00 0.00 C ATOM 515 CG TYR A 34 2.182 -5.833 -3.695 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.098 -6.717 -4.792 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.819 -4.593 -3.850 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.623 -6.345 -6.049 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.341 -4.223 -5.094 1.00 0.00 C ATOM 520 CZ TYR A 34 3.240 -5.081 -6.204 1.00 0.00 C ATOM 521 OH TYR A 34 3.750 -4.649 -7.388 1.00 0.00 O ATOM 0 H TYR A 34 1.184 -6.894 0.003 1.00 0.00 H new ATOM 0 HA TYR A 34 2.931 -7.903 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.758 -6.825 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.359 -5.316 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.630 -7.683 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.907 -3.923 -3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.554 -7.022 -6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.828 -3.265 -5.204 1.00 0.00 H new ATOM 0 HH TYR A 34 4.127 -3.752 -7.274 1.00 0.00 H new ATOM 531 N ALA A 35 4.008 -5.262 -0.350 1.00 0.00 N ATOM 532 CA ALA A 35 5.207 -4.474 -0.103 1.00 0.00 C ATOM 533 C ALA A 35 6.320 -5.387 0.398 1.00 0.00 C ATOM 534 O ALA A 35 7.428 -5.332 -0.132 1.00 0.00 O ATOM 535 CB ALA A 35 4.883 -3.373 0.884 1.00 0.00 C ATOM 0 H ALA A 35 3.223 -5.034 0.260 1.00 0.00 H new ATOM 0 HA ALA A 35 5.556 -4.006 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.777 -2.779 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.103 -2.733 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.535 -3.813 1.819 1.00 0.00 H new ATOM 541 N ASN A 36 6.011 -6.272 1.351 1.00 0.00 N ATOM 542 CA ASN A 36 6.973 -7.228 1.901 1.00 0.00 C ATOM 543 C ASN A 36 7.506 -8.118 0.768 1.00 0.00 C ATOM 544 O ASN A 36 8.658 -8.543 0.815 1.00 0.00 O ATOM 545 CB ASN A 36 6.362 -8.044 3.066 1.00 0.00 C ATOM 546 CG ASN A 36 6.417 -9.555 2.873 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.253 -10.234 3.456 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.555 -10.111 2.032 1.00 0.00 N ATOM 0 H ASN A 36 5.081 -6.344 1.764 1.00 0.00 H new ATOM 0 HA ASN A 36 7.815 -6.687 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.886 -7.788 3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.322 -7.744 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.583 -11.117 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.864 -9.533 1.554 1.00 0.00 H new ATOM 555 N ASP A 37 6.688 -8.401 -0.253 1.00 0.00 N ATOM 556 CA ASP A 37 7.078 -9.219 -1.400 1.00 0.00 C ATOM 557 C ASP A 37 8.201 -8.517 -2.156 1.00 0.00 C ATOM 558 O ASP A 37 9.179 -9.142 -2.567 1.00 0.00 O ATOM 559 CB ASP A 37 5.909 -9.461 -2.355 1.00 0.00 C ATOM 560 CG ASP A 37 6.375 -10.328 -3.520 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.498 -11.565 -3.351 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.559 -9.801 -4.641 1.00 0.00 O ATOM 0 H ASP A 37 5.727 -8.063 -0.303 1.00 0.00 H new ATOM 0 HA ASP A 37 7.409 -10.187 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.090 -9.951 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.526 -8.510 -2.726 1.00 0.00 H new ATOM 567 N ASN A 38 8.057 -7.203 -2.332 1.00 0.00 N ATOM 568 CA ASN A 38 9.030 -6.347 -3.005 1.00 0.00 C ATOM 569 C ASN A 38 10.182 -6.003 -2.043 1.00 0.00 C ATOM 570 O ASN A 38 11.139 -5.353 -2.463 1.00 0.00 O ATOM 571 CB ASN A 38 8.366 -5.044 -3.500 1.00 0.00 C ATOM 572 CG ASN A 38 7.392 -5.238 -4.652 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.743 -5.094 -5.819 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.146 -5.539 -4.345 1.00 0.00 N ATOM 0 H ASN A 38 7.238 -6.693 -2.001 1.00 0.00 H new ATOM 0 HA ASN A 38 9.422 -6.889 -3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.838 -4.580 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.145 -4.348 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.453 -5.657 -5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.875 -5.654 -3.368 1.00 0.00 H new ATOM 581 N GLY A 39 10.105 -6.420 -0.771 1.00 0.00 N ATOM 582 CA GLY A 39 11.093 -6.166 0.266 1.00 0.00 C ATOM 583 C GLY A 39 11.049 -4.712 0.714 1.00 0.00 C ATOM 584 O GLY A 39 12.101 -4.095 0.883 1.00 0.00 O ATOM 0 H GLY A 39 9.314 -6.967 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.907 -6.819 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.088 -6.405 -0.108 1.00 0.00 H new ATOM 588 N VAL A 40 9.843 -4.176 0.913 1.00 0.00 N ATOM 589 CA VAL A 40 9.583 -2.811 1.334 1.00 0.00 C ATOM 590 C VAL A 40 8.736 -2.854 2.589 1.00 0.00 C ATOM 591 O VAL A 40 7.621 -3.381 2.564 1.00 0.00 O ATOM 592 CB VAL A 40 8.789 -2.046 0.260 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.631 -0.569 0.643 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.396 -2.179 -1.139 1.00 0.00 C ATOM 0 H VAL A 40 8.986 -4.712 0.777 1.00 0.00 H new ATOM 0 HA VAL A 40 10.536 -2.310 1.503 1.00 0.00 H new ATOM 0 HB VAL A 40 7.803 -2.508 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.067 -0.051 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.099 -0.494 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.615 -0.112 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.792 -1.618 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.412 -1.784 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.417 -3.230 -1.428 1.00 0.00 H new ATOM 604 N ASP A 41 9.239 -2.290 3.680 1.00 0.00 N ATOM 605 CA ASP A 41 8.480 -2.242 4.913 1.00 0.00 C ATOM 606 C ASP A 41 9.038 -1.139 5.793 1.00 0.00 C ATOM 607 O ASP A 41 10.068 -1.318 6.441 1.00 0.00 O ATOM 608 CB ASP A 41 8.494 -3.580 5.621 1.00 0.00 C ATOM 609 CG ASP A 41 7.601 -3.489 6.861 1.00 0.00 C ATOM 610 OD1 ASP A 41 6.447 -3.008 6.724 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.049 -3.887 7.958 1.00 0.00 O ATOM 0 H ASP A 41 10.164 -1.863 3.732 1.00 0.00 H new ATOM 0 HA ASP A 41 7.437 -2.022 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.136 -4.364 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.512 -3.845 5.907 1.00 0.00 H new ATOM 616 N GLY A 42 8.378 0.015 5.754 1.00 0.00 N ATOM 617 CA GLY A 42 8.754 1.199 6.514 1.00 0.00 C ATOM 618 C GLY A 42 7.549 1.843 7.190 1.00 0.00 C ATOM 619 O GLY A 42 6.718 1.162 7.789 1.00 0.00 O ATOM 0 H GLY A 42 7.547 0.154 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.492 0.927 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.228 1.922 5.850 1.00 0.00 H new ATOM 623 N GLU A 43 7.478 3.174 7.137 1.00 0.00 N ATOM 624 CA GLU A 43 6.391 3.949 7.712 1.00 0.00 C ATOM 625 C GLU A 43 5.231 3.990 6.722 1.00 0.00 C ATOM 626 O GLU A 43 5.344 4.608 5.659 1.00 0.00 O ATOM 627 CB GLU A 43 6.846 5.377 8.050 1.00 0.00 C ATOM 628 CG GLU A 43 5.671 6.181 8.637 1.00 0.00 C ATOM 629 CD GLU A 43 6.087 7.540 9.192 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.448 8.443 8.401 1.00 0.00 O ATOM 631 OE2 GLU A 43 6.027 7.705 10.432 1.00 0.00 O ATOM 0 H GLU A 43 8.189 3.748 6.684 1.00 0.00 H new ATOM 0 HA GLU A 43 6.072 3.473 8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.668 5.346 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.222 5.869 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.918 6.328 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.203 5.600 9.431 1.00 0.00 H new ATOM 638 N TRP A 44 4.134 3.323 7.070 1.00 0.00 N ATOM 639 CA TRP A 44 2.926 3.268 6.264 1.00 0.00 C ATOM 640 C TRP A 44 2.016 4.458 6.599 1.00 0.00 C ATOM 641 O TRP A 44 1.768 4.727 7.775 1.00 0.00 O ATOM 642 CB TRP A 44 2.204 1.954 6.558 1.00 0.00 C ATOM 643 CG TRP A 44 2.898 0.714 6.072 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.995 0.156 6.624 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.597 -0.112 4.911 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.423 -0.918 5.877 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.597 -1.121 4.798 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.600 -0.087 3.919 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.613 -2.039 3.744 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.600 -1.007 2.858 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.598 -1.983 2.774 1.00 0.00 C ATOM 0 H TRP A 44 4.062 2.795 7.940 1.00 0.00 H new ATOM 0 HA TRP A 44 3.183 3.319 5.206 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.061 1.871 7.635 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.213 1.995 6.107 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.472 0.504 7.528 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.242 -1.486 6.095 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.818 0.656 3.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.395 -2.781 3.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.827 -0.961 2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.589 -2.695 1.962 1.00 0.00 H new ATOM 662 N THR A 45 1.439 5.095 5.583 1.00 0.00 N ATOM 663 CA THR A 45 0.537 6.244 5.661 1.00 0.00 C ATOM 664 C THR A 45 -0.768 5.942 4.908 1.00 0.00 C ATOM 665 O THR A 45 -0.848 4.918 4.221 1.00 0.00 O ATOM 666 CB THR A 45 1.247 7.477 5.072 1.00 0.00 C ATOM 667 OG1 THR A 45 1.400 7.313 3.679 1.00 0.00 O ATOM 668 CG2 THR A 45 2.642 7.719 5.658 1.00 0.00 C ATOM 0 H THR A 45 1.599 4.804 4.619 1.00 0.00 H new ATOM 0 HA THR A 45 0.281 6.448 6.701 1.00 0.00 H new ATOM 0 HB THR A 45 0.619 8.332 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.801 6.438 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.082 8.603 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.563 7.872 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.275 6.854 5.460 1.00 0.00 H new ATOM 676 N TYR A 46 -1.795 6.792 5.000 1.00 0.00 N ATOM 677 CA TYR A 46 -3.066 6.597 4.310 1.00 0.00 C ATOM 678 C TYR A 46 -3.613 7.952 3.868 1.00 0.00 C ATOM 679 O TYR A 46 -3.509 8.931 4.606 1.00 0.00 O ATOM 680 CB TYR A 46 -4.051 5.852 5.226 1.00 0.00 C ATOM 681 CG TYR A 46 -5.418 5.586 4.615 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.518 4.844 3.423 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.586 6.077 5.231 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.767 4.610 2.829 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.846 5.818 4.662 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.938 5.094 3.452 1.00 0.00 C ATOM 687 OH TYR A 46 -9.157 4.876 2.890 1.00 0.00 O ATOM 0 H TYR A 46 -1.763 7.642 5.562 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.920 5.984 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.607 4.899 5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.184 6.431 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.624 4.451 2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.514 6.653 6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.833 4.063 1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.742 6.172 5.149 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.859 5.064 3.548 1.00 0.00 H new ATOM 697 N ASP A 47 -4.236 7.998 2.694 1.00 0.00 N ATOM 698 CA ASP A 47 -4.824 9.172 2.068 1.00 0.00 C ATOM 699 C ASP A 47 -6.208 8.757 1.571 1.00 0.00 C ATOM 700 O ASP A 47 -6.371 8.377 0.407 1.00 0.00 O ATOM 701 CB ASP A 47 -3.962 9.676 0.895 1.00 0.00 C ATOM 702 CG ASP A 47 -2.632 10.312 1.294 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.618 9.598 1.476 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.547 11.561 1.295 1.00 0.00 O ATOM 0 H ASP A 47 -4.349 7.162 2.121 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.887 9.992 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.760 8.839 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.540 10.405 0.327 1.00 0.00 H new ATOM 709 N ASP A 48 -7.223 8.800 2.440 1.00 0.00 N ATOM 710 CA ASP A 48 -8.607 8.419 2.101 1.00 0.00 C ATOM 711 C ASP A 48 -9.160 9.247 0.938 1.00 0.00 C ATOM 712 O ASP A 48 -9.948 8.769 0.121 1.00 0.00 O ATOM 713 CB ASP A 48 -9.527 8.578 3.314 1.00 0.00 C ATOM 714 CG ASP A 48 -10.722 7.615 3.267 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.198 7.233 2.174 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.275 7.273 4.334 1.00 0.00 O ATOM 0 H ASP A 48 -7.111 9.102 3.408 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.579 7.373 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.956 8.402 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.891 9.604 3.359 1.00 0.00 H new ATOM 721 N ALA A 49 -8.655 10.475 0.808 1.00 0.00 N ATOM 722 CA ALA A 49 -9.010 11.436 -0.236 1.00 0.00 C ATOM 723 C ALA A 49 -8.891 10.844 -1.643 1.00 0.00 C ATOM 724 O ALA A 49 -9.562 11.300 -2.568 1.00 0.00 O ATOM 725 CB ALA A 49 -8.061 12.623 -0.145 1.00 0.00 C ATOM 0 H ALA A 49 -7.958 10.842 1.456 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.048 11.726 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.312 13.350 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.154 13.089 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.036 12.281 -0.288 1.00 0.00 H new ATOM 731 N THR A 50 -8.000 9.870 -1.819 1.00 0.00 N ATOM 732 CA THR A 50 -7.756 9.169 -3.077 1.00 0.00 C ATOM 733 C THR A 50 -7.673 7.646 -2.831 1.00 0.00 C ATOM 734 O THR A 50 -7.406 6.870 -3.749 1.00 0.00 O ATOM 735 CB THR A 50 -6.528 9.814 -3.752 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.230 9.258 -5.015 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.270 9.774 -2.879 1.00 0.00 C ATOM 0 H THR A 50 -7.406 9.535 -1.060 1.00 0.00 H new ATOM 0 HA THR A 50 -8.581 9.275 -3.781 1.00 0.00 H new ATOM 0 HB THR A 50 -6.821 10.854 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.532 8.326 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.443 10.243 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.455 10.312 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.016 8.738 -2.654 1.00 0.00 H new ATOM 745 N LYS A 51 -7.956 7.202 -1.601 1.00 0.00 N ATOM 746 CA LYS A 51 -7.941 5.819 -1.135 1.00 0.00 C ATOM 747 C LYS A 51 -6.603 5.182 -1.480 1.00 0.00 C ATOM 748 O LYS A 51 -6.544 4.093 -2.054 1.00 0.00 O ATOM 749 CB LYS A 51 -9.190 5.066 -1.636 1.00 0.00 C ATOM 750 CG LYS A 51 -10.440 5.907 -1.336 1.00 0.00 C ATOM 751 CD LYS A 51 -11.779 5.218 -1.580 1.00 0.00 C ATOM 752 CE LYS A 51 -12.330 4.502 -0.338 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.676 5.461 0.737 1.00 0.00 N ATOM 0 H LYS A 51 -8.219 7.848 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.015 5.768 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.111 4.879 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.264 4.095 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.400 6.223 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.402 6.810 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.505 5.959 -1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.665 4.494 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.215 3.927 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.590 3.792 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.227 4.974 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.804 5.844 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.240 6.239 0.340 1.00 0.00 H new ATOM 767 N THR A 52 -5.532 5.866 -1.091 1.00 0.00 N ATOM 768 CA THR A 52 -4.178 5.432 -1.347 1.00 0.00 C ATOM 769 C THR A 52 -3.420 5.256 -0.039 1.00 0.00 C ATOM 770 O THR A 52 -3.760 5.856 0.976 1.00 0.00 O ATOM 771 CB THR A 52 -3.527 6.450 -2.295 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.264 6.464 -3.502 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.078 6.145 -2.662 1.00 0.00 C ATOM 0 H THR A 52 -5.589 6.748 -0.583 1.00 0.00 H new ATOM 0 HA THR A 52 -4.160 4.455 -1.830 1.00 0.00 H new ATOM 0 HB THR A 52 -3.532 7.401 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.865 7.110 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.703 6.917 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.470 6.124 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.024 5.175 -3.157 1.00 0.00 H new ATOM 781 N PHE A 53 -2.384 4.428 -0.074 1.00 0.00 N ATOM 782 CA PHE A 53 -1.487 4.105 1.017 1.00 0.00 C ATOM 783 C PHE A 53 -0.075 4.334 0.504 1.00 0.00 C ATOM 784 O PHE A 53 0.180 4.149 -0.690 1.00 0.00 O ATOM 785 CB PHE A 53 -1.639 2.624 1.363 1.00 0.00 C ATOM 786 CG PHE A 53 -2.878 2.275 2.150 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.854 2.272 3.557 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.024 1.863 1.459 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.970 1.811 4.277 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.137 1.385 2.175 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.105 1.354 3.582 1.00 0.00 C ATOM 0 H PHE A 53 -2.135 3.931 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.701 4.711 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.641 2.049 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.765 2.308 1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.979 2.624 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.054 1.912 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.956 1.808 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.014 1.043 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.956 0.978 4.131 1.00 0.00 H new ATOM 801 N THR A 54 0.851 4.760 1.355 1.00 0.00 N ATOM 802 CA THR A 54 2.228 4.966 0.945 1.00 0.00 C ATOM 803 C THR A 54 3.117 4.362 2.024 1.00 0.00 C ATOM 804 O THR A 54 2.827 4.549 3.202 1.00 0.00 O ATOM 805 CB THR A 54 2.480 6.451 0.657 1.00 0.00 C ATOM 806 OG1 THR A 54 1.478 6.943 -0.222 1.00 0.00 O ATOM 807 CG2 THR A 54 3.860 6.679 0.050 1.00 0.00 C ATOM 0 H THR A 54 0.668 4.969 2.336 1.00 0.00 H new ATOM 0 HA THR A 54 2.462 4.464 0.006 1.00 0.00 H new ATOM 0 HB THR A 54 2.439 6.990 1.603 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.640 7.892 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.003 7.743 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.625 6.329 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.941 6.129 -0.887 1.00 0.00 H new ATOM 815 N VAL A 55 4.146 3.601 1.660 1.00 0.00 N ATOM 816 CA VAL A 55 5.063 2.988 2.616 1.00 0.00 C ATOM 817 C VAL A 55 6.442 3.572 2.364 1.00 0.00 C ATOM 818 O VAL A 55 7.039 3.330 1.314 1.00 0.00 O ATOM 819 CB VAL A 55 4.987 1.452 2.590 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.123 0.837 1.197 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.037 0.841 3.531 1.00 0.00 C ATOM 0 H VAL A 55 4.368 3.391 0.687 1.00 0.00 H new ATOM 0 HA VAL A 55 4.781 3.226 3.642 1.00 0.00 H new ATOM 0 HB VAL A 55 3.982 1.209 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.058 -0.249 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.322 1.206 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.086 1.115 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.966 -0.246 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.033 1.150 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.857 1.185 4.549 1.00 0.00 H new ATOM 831 N THR A 56 6.917 4.390 3.295 1.00 0.00 N ATOM 832 CA THR A 56 8.212 5.033 3.201 1.00 0.00 C ATOM 833 C THR A 56 9.206 4.121 3.932 1.00 0.00 C ATOM 834 O THR A 56 9.285 4.150 5.162 1.00 0.00 O ATOM 835 CB THR A 56 8.181 6.439 3.818 1.00 0.00 C ATOM 836 OG1 THR A 56 6.868 6.974 3.902 1.00 0.00 O ATOM 837 CG2 THR A 56 9.052 7.366 2.969 1.00 0.00 C ATOM 0 H THR A 56 6.404 4.625 4.145 1.00 0.00 H new ATOM 0 HA THR A 56 8.506 5.168 2.160 1.00 0.00 H new ATOM 0 HB THR A 56 8.561 6.363 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.904 7.868 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.039 8.369 3.396 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.075 6.991 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.663 7.400 1.951 1.00 0.00 H new ATOM 845 N GLU A 57 9.909 3.260 3.198 1.00 0.00 N ATOM 846 CA GLU A 57 10.888 2.314 3.732 1.00 0.00 C ATOM 847 C GLU A 57 11.954 3.044 4.543 1.00 0.00 C ATOM 848 O GLU A 57 12.311 4.179 4.161 1.00 0.00 O ATOM 849 CB GLU A 57 11.530 1.561 2.576 1.00 0.00 C ATOM 850 CG GLU A 57 12.271 0.288 2.950 1.00 0.00 C ATOM 851 CD GLU A 57 13.561 0.192 2.113 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.526 0.519 0.902 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.627 -0.108 2.699 1.00 0.00 O ATOM 0 H GLU A 57 9.810 3.199 2.185 1.00 0.00 H new ATOM 0 HA GLU A 57 10.384 1.610 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.753 1.309 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.227 2.231 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.512 0.291 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.640 -0.582 2.769 1.00 0.00 H new TER 860 GLU A 57