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 9 ASN : amide:sc= 1 K(o=2.2,f=-3.9) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0) USER MOD Single : A 1 MET CE :methyl -153:sc= 0 (180deg=-0.124) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.874 (180deg=0.505) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 4 TYR OH : rot 150:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.1 (180deg=0.818) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 122:sc= 0.677 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -5:sc= 0.899 USER MOD Single : A 26 THR OG1 : rot 180: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 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0428 USER MOD Single : A 36 ASN : amide:sc=-0.00571 X(o=-0.0057,f=-0.26) USER MOD Single : A 38 ASN : amide:sc= -0.0875 K(o=-0.088,f=-1.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc=-0.00698 (180deg=-0.0928) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 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 -16.206 3.406 4.860 1.00 0.00 N ATOM 2 CA MET A 1 -15.423 2.819 3.763 1.00 0.00 C ATOM 3 C MET A 1 -14.607 1.648 4.285 1.00 0.00 C ATOM 4 O MET A 1 -14.365 1.562 5.491 1.00 0.00 O ATOM 5 CB MET A 1 -14.516 3.878 3.132 1.00 0.00 C ATOM 6 CG MET A 1 -15.334 4.930 2.382 1.00 0.00 C ATOM 7 SD MET A 1 -14.389 6.356 1.807 1.00 0.00 S ATOM 8 CE MET A 1 -14.059 7.218 3.368 1.00 0.00 C ATOM 0 H1 MET A 1 -16.984 3.973 4.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.597 2.646 5.453 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.592 4.015 5.438 1.00 0.00 H new ATOM 0 HA MET A 1 -16.102 2.454 2.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.922 4.361 3.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.817 3.400 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.809 4.456 1.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.134 5.281 3.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.933 8.283 3.176 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.896 7.069 4.050 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.149 6.820 3.818 1.00 0.00 H new ATOM 18 N GLY A 2 -14.216 0.727 3.402 1.00 0.00 N ATOM 19 CA GLY A 2 -13.415 -0.415 3.800 1.00 0.00 C ATOM 20 C GLY A 2 -11.967 0.030 3.967 1.00 0.00 C ATOM 21 O GLY A 2 -11.498 0.910 3.241 1.00 0.00 O ATOM 0 H GLY A 2 -14.445 0.756 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.791 -0.832 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.483 -1.203 3.050 1.00 0.00 H new ATOM 25 N THR A 3 -11.254 -0.581 4.909 1.00 0.00 N ATOM 26 CA THR A 3 -9.866 -0.274 5.213 1.00 0.00 C ATOM 27 C THR A 3 -8.954 -1.235 4.462 1.00 0.00 C ATOM 28 O THR A 3 -9.067 -2.453 4.622 1.00 0.00 O ATOM 29 CB THR A 3 -9.644 -0.376 6.733 1.00 0.00 C ATOM 30 OG1 THR A 3 -10.326 0.670 7.389 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.176 -0.273 7.151 1.00 0.00 C ATOM 0 H THR A 3 -11.639 -1.322 5.495 1.00 0.00 H new ATOM 0 HA THR A 3 -9.629 0.741 4.894 1.00 0.00 H new ATOM 0 HB THR A 3 -10.018 -1.361 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.182 0.599 8.356 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.100 -0.353 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.608 -1.079 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.773 0.687 6.829 1.00 0.00 H new ATOM 39 N TYR A 4 -8.064 -0.678 3.639 1.00 0.00 N ATOM 40 CA TYR A 4 -7.078 -1.423 2.871 1.00 0.00 C ATOM 41 C TYR A 4 -5.780 -1.362 3.687 1.00 0.00 C ATOM 42 O TYR A 4 -5.384 -0.272 4.130 1.00 0.00 O ATOM 43 CB TYR A 4 -6.850 -0.785 1.491 1.00 0.00 C ATOM 44 CG TYR A 4 -8.005 -0.823 0.510 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.159 -1.928 -0.351 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.863 0.288 0.384 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.149 -1.915 -1.347 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.855 0.307 -0.613 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.992 -0.791 -1.490 1.00 0.00 C ATOM 50 OH TYR A 4 -10.947 -0.771 -2.454 1.00 0.00 O ATOM 0 H TYR A 4 -8.012 0.329 3.488 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.413 -2.446 2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.570 0.257 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.997 -1.280 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.514 -2.787 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.758 1.128 1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.266 -2.765 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.511 1.160 -0.708 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.704 -0.225 -2.154 1.00 0.00 H new ATOM 60 N LYS A 5 -5.166 -2.519 3.955 1.00 0.00 N ATOM 61 CA LYS A 5 -3.911 -2.608 4.702 1.00 0.00 C ATOM 62 C LYS A 5 -2.777 -2.395 3.717 1.00 0.00 C ATOM 63 O LYS A 5 -2.653 -3.185 2.777 1.00 0.00 O ATOM 64 CB LYS A 5 -3.750 -3.983 5.360 1.00 0.00 C ATOM 65 CG LYS A 5 -4.712 -4.195 6.527 1.00 0.00 C ATOM 66 CD LYS A 5 -4.680 -5.655 6.972 1.00 0.00 C ATOM 67 CE LYS A 5 -5.733 -5.867 8.062 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.175 -7.272 8.091 1.00 0.00 N ATOM 0 H LYS A 5 -5.529 -3.424 3.657 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.905 -1.856 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.915 -4.760 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.725 -4.094 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.436 -3.547 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.724 -3.919 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.878 -6.311 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.690 -5.912 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.321 -5.590 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.588 -5.215 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.889 -7.396 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.588 -7.525 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.360 -7.888 8.286 1.00 0.00 H new ATOM 82 N LEU A 6 -1.997 -1.336 3.911 1.00 0.00 N ATOM 83 CA LEU A 6 -0.865 -1.006 3.067 1.00 0.00 C ATOM 84 C LEU A 6 0.367 -1.642 3.698 1.00 0.00 C ATOM 85 O LEU A 6 0.718 -1.289 4.828 1.00 0.00 O ATOM 86 CB LEU A 6 -0.711 0.523 2.949 1.00 0.00 C ATOM 87 CG LEU A 6 0.126 1.017 1.751 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.506 0.375 1.600 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.637 0.843 0.436 1.00 0.00 C ATOM 0 H LEU A 6 -2.141 -0.675 4.674 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.006 -1.388 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.705 0.966 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.256 0.896 3.866 1.00 0.00 H new ATOM 0 HG LEU A 6 0.297 2.070 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.009 0.794 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.100 0.575 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.394 -0.702 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.023 1.200 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.870 -0.211 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.563 1.417 0.474 1.00 0.00 H new ATOM 101 N ILE A 7 0.990 -2.613 3.031 1.00 0.00 N ATOM 102 CA ILE A 7 2.202 -3.268 3.520 1.00 0.00 C ATOM 103 C ILE A 7 3.317 -2.850 2.555 1.00 0.00 C ATOM 104 O ILE A 7 3.120 -2.798 1.338 1.00 0.00 O ATOM 105 CB ILE A 7 2.044 -4.805 3.662 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.098 -5.234 4.809 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.398 -5.479 3.967 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.391 -5.006 4.543 1.00 0.00 C ATOM 0 H ILE A 7 0.666 -2.969 2.132 1.00 0.00 H new ATOM 0 HA ILE A 7 2.439 -2.954 4.536 1.00 0.00 H new ATOM 0 HB ILE A 7 1.628 -5.118 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.257 -6.293 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.377 -4.690 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.256 -6.556 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.097 -5.275 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.799 -5.083 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.970 -5.338 5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.572 -3.945 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.694 -5.572 3.662 1.00 0.00 H new ATOM 120 N LEU A 8 4.474 -2.519 3.116 1.00 0.00 N ATOM 121 CA LEU A 8 5.676 -2.107 2.415 1.00 0.00 C ATOM 122 C LEU A 8 6.627 -3.282 2.556 1.00 0.00 C ATOM 123 O LEU A 8 6.941 -3.651 3.688 1.00 0.00 O ATOM 124 CB LEU A 8 6.254 -0.835 3.068 1.00 0.00 C ATOM 125 CG LEU A 8 6.354 0.341 2.094 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.970 0.837 1.674 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.140 1.479 2.759 1.00 0.00 C ATOM 0 H LEU A 8 4.602 -2.533 4.128 1.00 0.00 H new ATOM 0 HA LEU A 8 5.495 -1.863 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.627 -0.549 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.244 -1.055 3.467 1.00 0.00 H new ATOM 0 HG LEU A 8 6.872 0.005 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.077 1.673 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.427 0.028 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.418 1.164 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.215 2.320 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.624 1.797 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.140 1.129 3.015 1.00 0.00 H new ATOM 139 N ASN A 9 7.088 -3.869 1.453 1.00 0.00 N ATOM 140 CA ASN A 9 7.993 -5.010 1.484 1.00 0.00 C ATOM 141 C ASN A 9 9.225 -4.694 0.637 1.00 0.00 C ATOM 142 O ASN A 9 9.294 -5.107 -0.522 1.00 0.00 O ATOM 143 CB ASN A 9 7.231 -6.265 1.026 1.00 0.00 C ATOM 144 CG ASN A 9 8.018 -7.531 1.317 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.654 -8.295 2.211 1.00 0.00 O ATOM 146 ND2 ASN A 9 9.116 -7.770 0.630 1.00 0.00 N ATOM 0 H ASN A 9 6.842 -3.564 0.511 1.00 0.00 H new ATOM 0 HA ASN A 9 8.352 -5.211 2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.266 -6.311 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.028 -6.199 -0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.677 -8.597 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.406 -7.128 -0.108 1.00 0.00 H new ATOM 153 N GLY A 10 10.172 -3.939 1.204 1.00 0.00 N ATOM 154 CA GLY A 10 11.399 -3.546 0.527 1.00 0.00 C ATOM 155 C GLY A 10 12.600 -4.371 0.994 1.00 0.00 C ATOM 156 O GLY A 10 12.608 -4.882 2.114 1.00 0.00 O ATOM 0 H GLY A 10 10.101 -3.583 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.274 -3.665 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.592 -2.489 0.710 1.00 0.00 H new ATOM 160 N LYS A 11 13.669 -4.393 0.189 1.00 0.00 N ATOM 161 CA LYS A 11 14.920 -5.120 0.433 1.00 0.00 C ATOM 162 C LYS A 11 15.688 -4.694 1.682 1.00 0.00 C ATOM 163 O LYS A 11 16.658 -5.369 2.028 1.00 0.00 O ATOM 164 CB LYS A 11 15.874 -5.063 -0.790 1.00 0.00 C ATOM 165 CG LYS A 11 16.437 -3.691 -1.220 1.00 0.00 C ATOM 166 CD LYS A 11 15.502 -2.917 -2.157 1.00 0.00 C ATOM 167 CE LYS A 11 16.190 -1.715 -2.810 1.00 0.00 C ATOM 168 NZ LYS A 11 15.221 -0.829 -3.493 1.00 0.00 N ATOM 0 H LYS A 11 13.686 -3.880 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 11 14.586 -6.143 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.720 -5.718 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.345 -5.487 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.628 -3.090 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.396 -3.839 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.135 -3.588 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.633 -2.573 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.728 -1.148 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.930 -2.067 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.691 0.060 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.862 -1.300 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.428 -0.623 -2.853 1.00 0.00 H new ATOM 182 N THR A 12 15.319 -3.604 2.346 1.00 0.00 N ATOM 183 CA THR A 12 16.029 -3.124 3.527 1.00 0.00 C ATOM 184 C THR A 12 15.108 -2.677 4.660 1.00 0.00 C ATOM 185 O THR A 12 15.562 -2.632 5.807 1.00 0.00 O ATOM 186 CB THR A 12 16.973 -1.983 3.093 1.00 0.00 C ATOM 187 OG1 THR A 12 16.348 -1.146 2.125 1.00 0.00 O ATOM 188 CG2 THR A 12 18.276 -2.525 2.487 1.00 0.00 C ATOM 0 H THR A 12 14.520 -3.028 2.081 1.00 0.00 H new ATOM 0 HA THR A 12 16.596 -3.958 3.941 1.00 0.00 H new ATOM 0 HB THR A 12 17.202 -1.411 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.964 -0.429 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.915 -1.692 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.794 -3.137 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.045 -3.131 1.611 1.00 0.00 H new ATOM 196 N LEU A 13 13.861 -2.298 4.374 1.00 0.00 N ATOM 197 CA LEU A 13 12.896 -1.858 5.369 1.00 0.00 C ATOM 198 C LEU A 13 11.497 -2.277 4.939 1.00 0.00 C ATOM 199 O LEU A 13 11.236 -2.499 3.753 1.00 0.00 O ATOM 200 CB LEU A 13 13.018 -0.341 5.646 1.00 0.00 C ATOM 201 CG LEU A 13 12.498 0.685 4.610 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.049 0.474 3.195 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.969 0.819 4.591 1.00 0.00 C ATOM 0 H LEU A 13 13.492 -2.290 3.423 1.00 0.00 H new ATOM 0 HA LEU A 13 13.109 -2.345 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.502 -0.142 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.074 -0.127 5.811 1.00 0.00 H new ATOM 0 HG LEU A 13 12.899 1.635 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.638 1.232 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.136 0.556 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.765 -0.516 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.678 1.555 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.522 -0.145 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.620 1.142 5.572 1.00 0.00 H new ATOM 215 N LYS A 14 10.588 -2.348 5.908 1.00 0.00 N ATOM 216 CA LYS A 14 9.190 -2.718 5.704 1.00 0.00 C ATOM 217 C LYS A 14 8.283 -1.757 6.458 1.00 0.00 C ATOM 218 O LYS A 14 8.770 -0.965 7.276 1.00 0.00 O ATOM 219 CB LYS A 14 8.959 -4.185 6.098 1.00 0.00 C ATOM 220 CG LYS A 14 9.790 -5.110 5.198 1.00 0.00 C ATOM 221 CD LYS A 14 9.243 -6.533 5.172 1.00 0.00 C ATOM 222 CE LYS A 14 10.188 -7.372 4.315 1.00 0.00 C ATOM 223 NZ LYS A 14 9.687 -8.741 4.098 1.00 0.00 N ATOM 0 H LYS A 14 10.809 -2.144 6.883 1.00 0.00 H new ATOM 0 HA LYS A 14 8.940 -2.635 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.234 -4.337 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.901 -4.432 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.805 -4.710 4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.822 -5.126 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.180 -6.938 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.235 -6.549 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.330 -6.883 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.165 -7.418 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.473 -9.356 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.276 -9.104 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.959 -8.731 3.356 1.00 0.00 H new ATOM 237 N GLY A 15 6.990 -1.761 6.163 1.00 0.00 N ATOM 238 CA GLY A 15 6.029 -0.884 6.808 1.00 0.00 C ATOM 239 C GLY A 15 4.650 -1.520 6.794 1.00 0.00 C ATOM 240 O GLY A 15 4.381 -2.412 5.985 1.00 0.00 O ATOM 0 H GLY A 15 6.578 -2.379 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.337 -0.687 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.000 0.077 6.294 1.00 0.00 H new ATOM 244 N GLU A 16 3.769 -1.055 7.673 1.00 0.00 N ATOM 245 CA GLU A 16 2.407 -1.539 7.803 1.00 0.00 C ATOM 246 C GLU A 16 1.543 -0.365 8.266 1.00 0.00 C ATOM 247 O GLU A 16 1.763 0.158 9.359 1.00 0.00 O ATOM 248 CB GLU A 16 2.390 -2.695 8.820 1.00 0.00 C ATOM 249 CG GLU A 16 0.991 -3.309 8.952 1.00 0.00 C ATOM 250 CD GLU A 16 0.876 -4.301 10.111 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.286 -3.997 11.259 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.152 -5.311 9.950 1.00 0.00 O ATOM 0 H GLU A 16 3.993 -0.309 8.332 1.00 0.00 H new ATOM 0 HA GLU A 16 2.015 -1.918 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.098 -3.464 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.721 -2.330 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.262 -2.510 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.734 -3.816 8.022 1.00 0.00 H new ATOM 259 N THR A 17 0.544 0.036 7.478 1.00 0.00 N ATOM 260 CA THR A 17 -0.366 1.139 7.794 1.00 0.00 C ATOM 261 C THR A 17 -1.772 0.789 7.273 1.00 0.00 C ATOM 262 O THR A 17 -1.940 -0.186 6.530 1.00 0.00 O ATOM 263 CB THR A 17 0.186 2.469 7.222 1.00 0.00 C ATOM 264 OG1 THR A 17 0.575 2.335 5.867 1.00 0.00 O ATOM 265 CG2 THR A 17 1.403 2.997 7.986 1.00 0.00 C ATOM 0 H THR A 17 0.340 -0.407 6.582 1.00 0.00 H new ATOM 0 HA THR A 17 -0.441 1.282 8.872 1.00 0.00 H new ATOM 0 HB THR A 17 -0.640 3.173 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.072 2.972 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.739 3.930 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.130 3.175 9.026 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.207 2.262 7.942 1.00 0.00 H new ATOM 273 N THR A 18 -2.799 1.566 7.628 1.00 0.00 N ATOM 274 CA THR A 18 -4.171 1.305 7.195 1.00 0.00 C ATOM 275 C THR A 18 -4.918 2.602 6.920 1.00 0.00 C ATOM 276 O THR A 18 -4.743 3.584 7.637 1.00 0.00 O ATOM 277 CB THR A 18 -4.915 0.535 8.305 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.465 0.859 9.614 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.797 -0.974 8.123 1.00 0.00 C ATOM 0 H THR A 18 -2.702 2.390 8.221 1.00 0.00 H new ATOM 0 HA THR A 18 -4.133 0.720 6.276 1.00 0.00 H new ATOM 0 HB THR A 18 -5.955 0.847 8.208 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.974 0.342 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.334 -1.480 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.226 -1.259 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.746 -1.263 8.151 1.00 0.00 H new ATOM 287 N THR A 19 -5.679 2.663 5.830 1.00 0.00 N ATOM 288 CA THR A 19 -6.494 3.811 5.443 1.00 0.00 C ATOM 289 C THR A 19 -7.733 3.300 4.696 1.00 0.00 C ATOM 290 O THR A 19 -7.612 2.319 3.946 1.00 0.00 O ATOM 291 CB THR A 19 -5.637 4.852 4.714 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.699 5.380 5.629 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.446 6.009 4.131 1.00 0.00 C ATOM 0 H THR A 19 -5.747 1.888 5.170 1.00 0.00 H new ATOM 0 HA THR A 19 -6.877 4.356 6.306 1.00 0.00 H new ATOM 0 HB THR A 19 -5.158 4.342 3.878 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.869 5.012 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.775 6.706 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.169 5.622 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.973 6.525 4.933 1.00 0.00 H new ATOM 301 N GLU A 20 -8.915 3.872 4.948 1.00 0.00 N ATOM 302 CA GLU A 20 -10.150 3.472 4.282 1.00 0.00 C ATOM 303 C GLU A 20 -10.459 4.383 3.101 1.00 0.00 C ATOM 304 O GLU A 20 -10.204 5.589 3.160 1.00 0.00 O ATOM 305 CB GLU A 20 -11.333 3.352 5.260 1.00 0.00 C ATOM 306 CG GLU A 20 -11.769 4.618 6.007 1.00 0.00 C ATOM 307 CD GLU A 20 -12.982 4.323 6.900 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.786 3.817 8.035 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.140 4.569 6.476 1.00 0.00 O ATOM 0 H GLU A 20 -9.038 4.627 5.622 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.993 2.470 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.192 2.978 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.080 2.595 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.945 4.991 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.018 5.402 5.292 1.00 0.00 H new ATOM 316 N ALA A 21 -10.995 3.801 2.025 1.00 0.00 N ATOM 317 CA ALA A 21 -11.343 4.526 0.815 1.00 0.00 C ATOM 318 C ALA A 21 -12.456 3.828 0.037 1.00 0.00 C ATOM 319 O ALA A 21 -12.779 2.663 0.288 1.00 0.00 O ATOM 320 CB ALA A 21 -10.104 4.653 -0.074 1.00 0.00 C ATOM 0 H ALA A 21 -11.199 2.803 1.976 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.705 5.512 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.362 5.197 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.325 5.194 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.741 3.659 -0.337 1.00 0.00 H new ATOM 326 N VAL A 22 -13.031 4.557 -0.916 1.00 0.00 N ATOM 327 CA VAL A 22 -14.098 4.076 -1.779 1.00 0.00 C ATOM 328 C VAL A 22 -13.554 3.020 -2.745 1.00 0.00 C ATOM 329 O VAL A 22 -14.275 2.088 -3.095 1.00 0.00 O ATOM 330 CB VAL A 22 -14.736 5.272 -2.523 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.793 5.941 -3.542 1.00 0.00 C ATOM 332 CG2 VAL A 22 -16.036 4.863 -3.228 1.00 0.00 C ATOM 0 H VAL A 22 -12.759 5.521 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.876 3.599 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.951 6.007 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.309 6.771 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.907 6.314 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.495 5.212 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.459 5.727 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.825 4.077 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.749 4.494 -2.491 1.00 0.00 H new ATOM 342 N ASP A 23 -12.293 3.136 -3.164 1.00 0.00 N ATOM 343 CA ASP A 23 -11.670 2.215 -4.101 1.00 0.00 C ATOM 344 C ASP A 23 -10.160 2.227 -3.874 1.00 0.00 C ATOM 345 O ASP A 23 -9.632 3.132 -3.213 1.00 0.00 O ATOM 346 CB ASP A 23 -12.009 2.694 -5.522 1.00 0.00 C ATOM 347 CG ASP A 23 -11.981 1.591 -6.577 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.440 0.487 -6.334 1.00 0.00 O ATOM 349 OD2 ASP A 23 -12.552 1.833 -7.665 1.00 0.00 O ATOM 0 H ASP A 23 -11.672 3.884 -2.855 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.033 1.197 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.000 3.148 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.303 3.474 -5.809 1.00 0.00 H new ATOM 354 N ALA A 24 -9.455 1.248 -4.440 1.00 0.00 N ATOM 355 CA ALA A 24 -8.012 1.131 -4.305 1.00 0.00 C ATOM 356 C ALA A 24 -7.299 2.333 -4.932 1.00 0.00 C ATOM 357 O ALA A 24 -6.224 2.696 -4.463 1.00 0.00 O ATOM 358 CB ALA A 24 -7.533 -0.186 -4.919 1.00 0.00 C ATOM 0 H ALA A 24 -9.876 0.512 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.761 1.126 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.451 -0.265 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.009 -1.021 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.797 -0.212 -5.976 1.00 0.00 H new ATOM 364 N ALA A 25 -7.902 2.990 -5.931 1.00 0.00 N ATOM 365 CA ALA A 25 -7.345 4.155 -6.613 1.00 0.00 C ATOM 366 C ALA A 25 -6.946 5.265 -5.640 1.00 0.00 C ATOM 367 O ALA A 25 -5.930 5.942 -5.839 1.00 0.00 O ATOM 368 CB ALA A 25 -8.385 4.703 -7.590 1.00 0.00 C ATOM 0 H ALA A 25 -8.815 2.715 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.444 3.833 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.978 5.574 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.638 3.935 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.282 4.992 -7.042 1.00 0.00 H new ATOM 374 N THR A 26 -7.760 5.511 -4.614 1.00 0.00 N ATOM 375 CA THR A 26 -7.461 6.536 -3.629 1.00 0.00 C ATOM 376 C THR A 26 -6.283 6.056 -2.776 1.00 0.00 C ATOM 377 O THR A 26 -5.335 6.810 -2.573 1.00 0.00 O ATOM 378 CB THR A 26 -8.713 6.814 -2.787 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.839 7.031 -3.620 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.553 8.021 -1.859 1.00 0.00 C ATOM 0 H THR A 26 -8.633 5.010 -4.448 1.00 0.00 H new ATOM 0 HA THR A 26 -7.178 7.474 -4.108 1.00 0.00 H new ATOM 0 HB THR A 26 -8.860 5.928 -2.169 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.628 7.205 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.471 8.167 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.725 7.845 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.349 8.912 -2.453 1.00 0.00 H new ATOM 388 N ALA A 27 -6.312 4.807 -2.297 1.00 0.00 N ATOM 389 CA ALA A 27 -5.253 4.249 -1.466 1.00 0.00 C ATOM 390 C ALA A 27 -3.889 4.277 -2.159 1.00 0.00 C ATOM 391 O ALA A 27 -2.901 4.708 -1.562 1.00 0.00 O ATOM 392 CB ALA A 27 -5.630 2.836 -1.007 1.00 0.00 C ATOM 0 H ALA A 27 -7.076 4.157 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.154 4.883 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.831 2.430 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.553 2.875 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.774 2.197 -1.878 1.00 0.00 H new ATOM 398 N GLU A 28 -3.863 3.851 -3.420 1.00 0.00 N ATOM 399 CA GLU A 28 -2.696 3.776 -4.285 1.00 0.00 C ATOM 400 C GLU A 28 -1.985 5.124 -4.342 1.00 0.00 C ATOM 401 O GLU A 28 -0.801 5.235 -4.022 1.00 0.00 O ATOM 402 CB GLU A 28 -3.235 3.416 -5.688 1.00 0.00 C ATOM 403 CG GLU A 28 -2.248 3.489 -6.870 1.00 0.00 C ATOM 404 CD GLU A 28 -2.985 3.848 -8.169 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.033 3.244 -8.472 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.560 4.788 -8.886 1.00 0.00 O ATOM 0 H GLU A 28 -4.709 3.530 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.979 3.041 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.634 2.403 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.072 4.079 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.480 4.234 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.740 2.532 -6.986 1.00 0.00 H new ATOM 413 N LYS A 29 -2.721 6.172 -4.716 1.00 0.00 N ATOM 414 CA LYS A 29 -2.136 7.496 -4.832 1.00 0.00 C ATOM 415 C LYS A 29 -1.883 8.173 -3.504 1.00 0.00 C ATOM 416 O LYS A 29 -0.889 8.877 -3.409 1.00 0.00 O ATOM 417 CB LYS A 29 -2.933 8.362 -5.807 1.00 0.00 C ATOM 418 CG LYS A 29 -2.813 7.757 -7.214 1.00 0.00 C ATOM 419 CD LYS A 29 -3.343 8.717 -8.272 1.00 0.00 C ATOM 420 CE LYS A 29 -3.223 8.070 -9.649 1.00 0.00 C ATOM 421 NZ LYS A 29 -3.934 8.854 -10.676 1.00 0.00 N ATOM 0 H LYS A 29 -3.715 6.124 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.140 7.361 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.979 8.408 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.554 9.384 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.770 7.520 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.368 6.820 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.384 8.966 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.781 9.650 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.171 7.981 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.630 7.059 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.833 8.388 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.942 8.917 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.529 9.811 -10.725 1.00 0.00 H new ATOM 435 N VAL A 30 -2.724 8.009 -2.483 1.00 0.00 N ATOM 436 CA VAL A 30 -2.515 8.660 -1.189 1.00 0.00 C ATOM 437 C VAL A 30 -1.223 8.158 -0.538 1.00 0.00 C ATOM 438 O VAL A 30 -0.344 8.971 -0.244 1.00 0.00 O ATOM 439 CB VAL A 30 -3.775 8.500 -0.309 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.568 8.851 1.169 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.894 9.417 -0.840 1.00 0.00 C ATOM 0 H VAL A 30 -3.561 7.428 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.375 9.732 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.031 7.442 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.503 8.710 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.802 8.202 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.252 9.891 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.783 9.304 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.560 10.454 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.132 9.143 -1.868 1.00 0.00 H new ATOM 451 N PHE A 31 -1.053 6.845 -0.346 1.00 0.00 N ATOM 452 CA PHE A 31 0.157 6.329 0.294 1.00 0.00 C ATOM 453 C PHE A 31 1.423 6.408 -0.567 1.00 0.00 C ATOM 454 O PHE A 31 2.501 6.167 -0.025 1.00 0.00 O ATOM 455 CB PHE A 31 -0.070 4.891 0.801 1.00 0.00 C ATOM 456 CG PHE A 31 -0.675 4.775 2.192 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.104 5.467 3.279 1.00 0.00 C ATOM 458 CD2 PHE A 31 -1.753 3.901 2.427 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.615 5.303 4.576 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.256 3.725 3.729 1.00 0.00 C ATOM 461 CZ PHE A 31 -1.694 4.434 4.803 1.00 0.00 C ATOM 0 H PHE A 31 -1.728 6.132 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 31 0.344 6.994 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.722 4.374 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.886 4.367 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.733 6.129 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.197 3.362 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.177 5.846 5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.076 3.044 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.090 4.311 5.800 1.00 0.00 H new ATOM 471 N LYS A 32 1.348 6.757 -1.860 1.00 0.00 N ATOM 472 CA LYS A 32 2.525 6.831 -2.734 1.00 0.00 C ATOM 473 C LYS A 32 3.660 7.672 -2.141 1.00 0.00 C ATOM 474 O LYS A 32 4.812 7.244 -2.197 1.00 0.00 O ATOM 475 CB LYS A 32 2.111 7.261 -4.149 1.00 0.00 C ATOM 476 CG LYS A 32 3.286 7.137 -5.125 1.00 0.00 C ATOM 477 CD LYS A 32 2.830 7.159 -6.588 1.00 0.00 C ATOM 478 CE LYS A 32 4.076 7.216 -7.477 1.00 0.00 C ATOM 479 NZ LYS A 32 3.764 6.992 -8.897 1.00 0.00 N ATOM 0 H LYS A 32 0.473 6.995 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 32 2.950 5.830 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.281 6.644 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.756 8.291 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.987 7.954 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.823 6.209 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.241 6.271 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.191 8.022 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.556 8.188 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.792 6.465 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.639 7.040 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.330 6.054 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.102 7.723 -9.226 1.00 0.00 H new ATOM 493 N GLN A 33 3.329 8.824 -1.551 1.00 0.00 N ATOM 494 CA GLN A 33 4.274 9.736 -0.917 1.00 0.00 C ATOM 495 C GLN A 33 5.061 8.970 0.142 1.00 0.00 C ATOM 496 O GLN A 33 6.272 8.838 0.030 1.00 0.00 O ATOM 497 CB GLN A 33 3.494 10.852 -0.190 1.00 0.00 C ATOM 498 CG GLN A 33 3.089 12.077 -1.017 1.00 0.00 C ATOM 499 CD GLN A 33 1.895 12.757 -0.344 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.995 13.263 0.771 1.00 0.00 O ATOM 501 NE2 GLN A 33 0.719 12.722 -0.949 1.00 0.00 N ATOM 0 H GLN A 33 2.365 9.154 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 33 4.936 10.156 -1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.589 10.413 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.099 11.196 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.925 12.773 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.829 11.777 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.634 12.302 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.103 13.115 -0.490 1.00 0.00 H new ATOM 510 N TYR A 34 4.347 8.402 1.118 1.00 0.00 N ATOM 511 CA TYR A 34 4.907 7.650 2.226 1.00 0.00 C ATOM 512 C TYR A 34 5.770 6.488 1.761 1.00 0.00 C ATOM 513 O TYR A 34 6.869 6.330 2.281 1.00 0.00 O ATOM 514 CB TYR A 34 3.773 7.174 3.149 1.00 0.00 C ATOM 515 CG TYR A 34 4.006 5.844 3.836 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.939 5.736 4.886 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.328 4.701 3.376 1.00 0.00 C ATOM 518 CE1 TYR A 34 5.190 4.486 5.479 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.560 3.456 3.977 1.00 0.00 C ATOM 520 CZ TYR A 34 4.497 3.342 5.029 1.00 0.00 C ATOM 521 OH TYR A 34 4.758 2.131 5.586 1.00 0.00 O ATOM 0 H TYR A 34 3.329 8.460 1.152 1.00 0.00 H new ATOM 0 HA TYR A 34 5.569 8.312 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.607 7.934 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.856 7.105 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.462 6.614 5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.627 4.783 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.912 4.402 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.023 2.584 3.636 1.00 0.00 H new ATOM 0 HH TYR A 34 4.195 1.449 5.164 1.00 0.00 H new ATOM 531 N ALA A 35 5.308 5.700 0.787 1.00 0.00 N ATOM 532 CA ALA A 35 6.074 4.556 0.326 1.00 0.00 C ATOM 533 C ALA A 35 7.474 4.959 -0.140 1.00 0.00 C ATOM 534 O ALA A 35 8.467 4.484 0.422 1.00 0.00 O ATOM 535 CB ALA A 35 5.305 3.848 -0.790 1.00 0.00 C ATOM 0 H ALA A 35 4.416 5.837 0.311 1.00 0.00 H new ATOM 0 HA ALA A 35 6.208 3.870 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.878 2.989 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.340 3.511 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.148 4.539 -1.618 1.00 0.00 H new ATOM 541 N ASN A 36 7.565 5.900 -1.088 1.00 0.00 N ATOM 542 CA ASN A 36 8.875 6.307 -1.583 1.00 0.00 C ATOM 543 C ASN A 36 9.629 7.144 -0.558 1.00 0.00 C ATOM 544 O ASN A 36 10.859 7.106 -0.525 1.00 0.00 O ATOM 545 CB ASN A 36 8.787 7.036 -2.921 1.00 0.00 C ATOM 546 CG ASN A 36 10.185 7.149 -3.519 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.867 6.145 -3.703 1.00 0.00 O ATOM 548 ND2 ASN A 36 10.640 8.339 -3.863 1.00 0.00 N ATOM 0 H ASN A 36 6.771 6.378 -1.514 1.00 0.00 H new ATOM 0 HA ASN A 36 9.440 5.390 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.129 6.495 -3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.356 8.027 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.564 8.429 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.067 9.169 -3.707 1.00 0.00 H new ATOM 555 N ASP A 37 8.920 7.895 0.286 1.00 0.00 N ATOM 556 CA ASP A 37 9.524 8.722 1.328 1.00 0.00 C ATOM 557 C ASP A 37 10.208 7.828 2.365 1.00 0.00 C ATOM 558 O ASP A 37 11.210 8.224 2.968 1.00 0.00 O ATOM 559 CB ASP A 37 8.476 9.602 2.015 1.00 0.00 C ATOM 560 CG ASP A 37 9.122 10.516 3.047 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.688 11.558 2.647 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.993 10.262 4.265 1.00 0.00 O ATOM 0 H ASP A 37 7.901 7.946 0.264 1.00 0.00 H new ATOM 0 HA ASP A 37 10.262 9.374 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.954 10.202 1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.728 8.973 2.498 1.00 0.00 H new ATOM 567 N ASN A 38 9.687 6.613 2.552 1.00 0.00 N ATOM 568 CA ASN A 38 10.207 5.615 3.473 1.00 0.00 C ATOM 569 C ASN A 38 11.299 4.773 2.800 1.00 0.00 C ATOM 570 O ASN A 38 12.035 4.072 3.490 1.00 0.00 O ATOM 571 CB ASN A 38 9.057 4.744 4.001 1.00 0.00 C ATOM 572 CG ASN A 38 9.408 4.005 5.285 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.391 4.304 5.965 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.578 3.054 5.676 1.00 0.00 N ATOM 0 H ASN A 38 8.862 6.291 2.045 1.00 0.00 H new ATOM 0 HA ASN A 38 10.668 6.117 4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.185 5.373 4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.778 4.019 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.747 2.557 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.768 2.817 5.103 1.00 0.00 H new ATOM 581 N GLY A 39 11.449 4.848 1.472 1.00 0.00 N ATOM 582 CA GLY A 39 12.462 4.125 0.707 1.00 0.00 C ATOM 583 C GLY A 39 11.969 2.890 -0.041 1.00 0.00 C ATOM 584 O GLY A 39 12.797 2.049 -0.386 1.00 0.00 O ATOM 0 H GLY A 39 10.850 5.431 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.905 4.812 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.257 3.822 1.388 1.00 0.00 H new ATOM 588 N VAL A 40 10.664 2.734 -0.282 1.00 0.00 N ATOM 589 CA VAL A 40 10.134 1.577 -0.997 1.00 0.00 C ATOM 590 C VAL A 40 9.271 2.045 -2.160 1.00 0.00 C ATOM 591 O VAL A 40 8.377 2.876 -2.021 1.00 0.00 O ATOM 592 CB VAL A 40 9.369 0.628 -0.057 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.966 -0.678 -0.764 1.00 0.00 C ATOM 594 CG2 VAL A 40 10.188 0.248 1.183 1.00 0.00 C ATOM 0 H VAL A 40 9.952 3.403 0.012 1.00 0.00 H new ATOM 0 HA VAL A 40 10.968 1.001 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 40 8.481 1.182 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.429 -1.319 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.323 -0.448 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.860 -1.193 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.604 -0.422 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.106 -0.252 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.437 1.148 1.744 1.00 0.00 H new ATOM 604 N ASP A 41 9.562 1.495 -3.324 1.00 0.00 N ATOM 605 CA ASP A 41 8.897 1.723 -4.586 1.00 0.00 C ATOM 606 C ASP A 41 8.921 0.346 -5.227 1.00 0.00 C ATOM 607 O ASP A 41 9.982 -0.281 -5.251 1.00 0.00 O ATOM 608 CB ASP A 41 9.628 2.770 -5.422 1.00 0.00 C ATOM 609 CG ASP A 41 8.928 2.936 -6.764 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.679 3.020 -6.772 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.634 3.038 -7.788 1.00 0.00 O ATOM 0 H ASP A 41 10.328 0.827 -3.415 1.00 0.00 H new ATOM 0 HA ASP A 41 7.888 2.123 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.649 3.722 -4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.664 2.468 -5.576 1.00 0.00 H new ATOM 616 N GLY A 42 7.769 -0.159 -5.659 1.00 0.00 N ATOM 617 CA GLY A 42 7.669 -1.481 -6.243 1.00 0.00 C ATOM 618 C GLY A 42 6.324 -1.698 -6.900 1.00 0.00 C ATOM 619 O GLY A 42 5.665 -0.755 -7.332 1.00 0.00 O ATOM 0 H GLY A 42 6.882 0.342 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.461 -1.615 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.823 -2.234 -5.470 1.00 0.00 H new ATOM 623 N GLU A 43 5.944 -2.961 -7.033 1.00 0.00 N ATOM 624 CA GLU A 43 4.706 -3.425 -7.630 1.00 0.00 C ATOM 625 C GLU A 43 3.580 -3.361 -6.590 1.00 0.00 C ATOM 626 O GLU A 43 3.577 -4.150 -5.641 1.00 0.00 O ATOM 627 CB GLU A 43 4.981 -4.845 -8.132 1.00 0.00 C ATOM 628 CG GLU A 43 3.811 -5.450 -8.898 1.00 0.00 C ATOM 629 CD GLU A 43 4.220 -6.811 -9.461 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.515 -7.730 -8.660 1.00 0.00 O ATOM 631 OE2 GLU A 43 4.290 -6.932 -10.704 1.00 0.00 O ATOM 0 H GLU A 43 6.528 -3.731 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 43 4.378 -2.805 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.860 -4.831 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.219 -5.484 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.950 -5.561 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.510 -4.785 -9.708 1.00 0.00 H new ATOM 638 N TRP A 44 2.671 -2.388 -6.727 1.00 0.00 N ATOM 639 CA TRP A 44 1.529 -2.177 -5.845 1.00 0.00 C ATOM 640 C TRP A 44 0.386 -3.089 -6.294 1.00 0.00 C ATOM 641 O TRP A 44 -0.327 -2.745 -7.243 1.00 0.00 O ATOM 642 CB TRP A 44 1.046 -0.717 -5.924 1.00 0.00 C ATOM 643 CG TRP A 44 1.922 0.355 -5.369 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.151 0.694 -5.814 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.606 1.295 -4.303 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.640 1.737 -5.059 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.738 2.132 -4.103 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.475 1.536 -3.495 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.774 3.120 -3.120 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.488 2.550 -2.521 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.648 3.311 -2.308 1.00 0.00 C ATOM 0 H TRP A 44 2.717 -1.705 -7.483 1.00 0.00 H new ATOM 0 HA TRP A 44 1.829 -2.400 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.863 -0.485 -6.973 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.085 -0.658 -5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.670 0.221 -6.634 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.557 2.162 -5.193 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.412 0.934 -3.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.656 3.729 -2.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.398 2.744 -1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.673 4.045 -1.517 1.00 0.00 H new ATOM 662 N THR A 45 0.152 -4.211 -5.617 1.00 0.00 N ATOM 663 CA THR A 45 -0.922 -5.129 -5.992 1.00 0.00 C ATOM 664 C THR A 45 -1.962 -5.186 -4.876 1.00 0.00 C ATOM 665 O THR A 45 -1.646 -5.494 -3.722 1.00 0.00 O ATOM 666 CB THR A 45 -0.328 -6.486 -6.389 1.00 0.00 C ATOM 667 OG1 THR A 45 0.623 -6.267 -7.409 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.390 -7.440 -6.944 1.00 0.00 C ATOM 0 H THR A 45 0.693 -4.507 -4.804 1.00 0.00 H new ATOM 0 HA THR A 45 -1.455 -4.773 -6.874 1.00 0.00 H new ATOM 0 HB THR A 45 0.111 -6.936 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.018 -7.123 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.923 -8.388 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.155 -7.613 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.849 -6.999 -7.829 1.00 0.00 H new ATOM 676 N TYR A 46 -3.202 -4.826 -5.211 1.00 0.00 N ATOM 677 CA TYR A 46 -4.345 -4.818 -4.311 1.00 0.00 C ATOM 678 C TYR A 46 -5.138 -6.112 -4.489 1.00 0.00 C ATOM 679 O TYR A 46 -5.226 -6.647 -5.594 1.00 0.00 O ATOM 680 CB TYR A 46 -5.245 -3.601 -4.608 1.00 0.00 C ATOM 681 CG TYR A 46 -5.702 -3.472 -6.053 1.00 0.00 C ATOM 682 CD1 TYR A 46 -6.867 -4.136 -6.480 1.00 0.00 C ATOM 683 CD2 TYR A 46 -4.953 -2.720 -6.981 1.00 0.00 C ATOM 684 CE1 TYR A 46 -7.255 -4.092 -7.827 1.00 0.00 C ATOM 685 CE2 TYR A 46 -5.339 -2.670 -8.334 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.482 -3.379 -8.767 1.00 0.00 C ATOM 687 OH TYR A 46 -6.828 -3.380 -10.082 1.00 0.00 O ATOM 0 H TYR A 46 -3.442 -4.521 -6.154 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.994 -4.748 -3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.126 -3.656 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.706 -2.695 -4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.466 -4.683 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.078 -2.179 -6.652 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.150 -4.606 -8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.762 -2.091 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.188 -2.838 -10.589 1.00 0.00 H new ATOM 697 N ASP A 47 -5.712 -6.610 -3.399 1.00 0.00 N ATOM 698 CA ASP A 47 -6.540 -7.806 -3.352 1.00 0.00 C ATOM 699 C ASP A 47 -7.646 -7.494 -2.346 1.00 0.00 C ATOM 700 O ASP A 47 -7.354 -7.349 -1.155 1.00 0.00 O ATOM 701 CB ASP A 47 -5.723 -9.040 -2.959 1.00 0.00 C ATOM 702 CG ASP A 47 -6.592 -10.292 -3.031 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.668 -10.337 -2.398 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.208 -11.261 -3.721 1.00 0.00 O ATOM 0 H ASP A 47 -5.607 -6.170 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.958 -8.049 -4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.866 -9.145 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.330 -8.919 -1.950 1.00 0.00 H new ATOM 709 N ASP A 48 -8.895 -7.316 -2.787 1.00 0.00 N ATOM 710 CA ASP A 48 -9.990 -6.996 -1.867 1.00 0.00 C ATOM 711 C ASP A 48 -10.453 -8.171 -0.997 1.00 0.00 C ATOM 712 O ASP A 48 -10.876 -7.926 0.134 1.00 0.00 O ATOM 713 CB ASP A 48 -11.152 -6.285 -2.577 1.00 0.00 C ATOM 714 CG ASP A 48 -12.331 -7.187 -2.927 1.00 0.00 C ATOM 715 OD1 ASP A 48 -13.211 -7.379 -2.055 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.373 -7.655 -4.085 1.00 0.00 O ATOM 0 H ASP A 48 -9.171 -7.387 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.567 -6.286 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.508 -5.475 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.776 -5.829 -3.493 1.00 0.00 H new ATOM 721 N ALA A 49 -10.372 -9.424 -1.465 1.00 0.00 N ATOM 722 CA ALA A 49 -10.785 -10.590 -0.677 1.00 0.00 C ATOM 723 C ALA A 49 -9.822 -10.768 0.504 1.00 0.00 C ATOM 724 O ALA A 49 -10.248 -10.962 1.649 1.00 0.00 O ATOM 725 CB ALA A 49 -10.830 -11.847 -1.550 1.00 0.00 C ATOM 0 H ALA A 49 -10.021 -9.656 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.791 -10.428 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.139 -12.699 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.543 -11.701 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.841 -12.037 -1.966 1.00 0.00 H new ATOM 731 N THR A 50 -8.515 -10.690 0.238 1.00 0.00 N ATOM 732 CA THR A 50 -7.473 -10.796 1.259 1.00 0.00 C ATOM 733 C THR A 50 -7.376 -9.447 1.991 1.00 0.00 C ATOM 734 O THR A 50 -6.886 -9.382 3.122 1.00 0.00 O ATOM 735 CB THR A 50 -6.136 -11.151 0.581 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.327 -12.253 -0.280 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.061 -11.575 1.583 1.00 0.00 C ATOM 0 H THR A 50 -8.148 -10.550 -0.703 1.00 0.00 H new ATOM 0 HA THR A 50 -7.711 -11.579 1.979 1.00 0.00 H new ATOM 0 HB THR A 50 -5.810 -10.254 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.478 -12.480 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.141 -11.813 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.874 -10.760 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.401 -12.454 2.131 1.00 0.00 H new ATOM 745 N LYS A 51 -7.980 -8.404 1.407 1.00 0.00 N ATOM 746 CA LYS A 51 -8.065 -7.034 1.872 1.00 0.00 C ATOM 747 C LYS A 51 -6.684 -6.487 2.226 1.00 0.00 C ATOM 748 O LYS A 51 -6.463 -5.928 3.306 1.00 0.00 O ATOM 749 CB LYS A 51 -9.143 -7.013 2.954 1.00 0.00 C ATOM 750 CG LYS A 51 -9.577 -5.601 3.323 1.00 0.00 C ATOM 751 CD LYS A 51 -10.716 -5.682 4.343 1.00 0.00 C ATOM 752 CE LYS A 51 -11.788 -4.665 3.991 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.555 -5.057 2.791 1.00 0.00 N ATOM 0 H LYS A 51 -8.462 -8.520 0.516 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.383 -6.326 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.010 -7.577 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.768 -7.518 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.737 -5.045 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.905 -5.063 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.141 -6.686 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.334 -5.491 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.469 -4.551 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.324 -3.693 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.454 -4.535 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.003 -4.834 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.748 -6.078 2.821 1.00 0.00 H new ATOM 767 N THR A 52 -5.750 -6.641 1.299 1.00 0.00 N ATOM 768 CA THR A 52 -4.367 -6.213 1.417 1.00 0.00 C ATOM 769 C THR A 52 -3.945 -5.463 0.154 1.00 0.00 C ATOM 770 O THR A 52 -4.511 -5.662 -0.922 1.00 0.00 O ATOM 771 CB THR A 52 -3.494 -7.453 1.704 1.00 0.00 C ATOM 772 OG1 THR A 52 -3.941 -8.585 0.981 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.546 -7.829 3.188 1.00 0.00 C ATOM 0 H THR A 52 -5.946 -7.088 0.404 1.00 0.00 H new ATOM 0 HA THR A 52 -4.240 -5.516 2.245 1.00 0.00 H new ATOM 0 HB THR A 52 -2.481 -7.186 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.365 -9.351 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.923 -8.706 3.363 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.178 -6.996 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.575 -8.053 3.471 1.00 0.00 H new ATOM 781 N PHE A 53 -2.959 -4.579 0.287 1.00 0.00 N ATOM 782 CA PHE A 53 -2.393 -3.782 -0.785 1.00 0.00 C ATOM 783 C PHE A 53 -0.910 -3.752 -0.430 1.00 0.00 C ATOM 784 O PHE A 53 -0.497 -3.017 0.470 1.00 0.00 O ATOM 785 CB PHE A 53 -3.080 -2.406 -0.828 1.00 0.00 C ATOM 786 CG PHE A 53 -3.043 -1.639 -2.142 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.250 -2.046 -3.235 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.890 -0.523 -2.289 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.345 -1.376 -4.465 1.00 0.00 C ATOM 790 CE2 PHE A 53 -3.947 0.172 -3.509 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.186 -0.263 -4.604 1.00 0.00 C ATOM 0 H PHE A 53 -2.517 -4.395 1.188 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.538 -4.171 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.125 -2.544 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.625 -1.780 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.567 -2.876 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.500 -0.199 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.767 -1.720 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.578 1.043 -3.604 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.248 0.257 -5.549 1.00 0.00 H new ATOM 801 N THR A 54 -0.088 -4.546 -1.108 1.00 0.00 N ATOM 802 CA THR A 54 1.336 -4.628 -0.800 1.00 0.00 C ATOM 803 C THR A 54 2.216 -4.119 -1.935 1.00 0.00 C ATOM 804 O THR A 54 1.923 -4.351 -3.107 1.00 0.00 O ATOM 805 CB THR A 54 1.664 -6.068 -0.378 1.00 0.00 C ATOM 806 OG1 THR A 54 0.745 -6.486 0.621 1.00 0.00 O ATOM 807 CG2 THR A 54 3.083 -6.224 0.176 1.00 0.00 C ATOM 0 H THR A 54 -0.385 -5.145 -1.878 1.00 0.00 H new ATOM 0 HA THR A 54 1.562 -3.960 0.031 1.00 0.00 H new ATOM 0 HB THR A 54 1.589 -6.682 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.951 -7.405 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.252 -7.264 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.805 -5.931 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.203 -5.588 1.053 1.00 0.00 H new ATOM 815 N VAL A 55 3.233 -3.336 -1.562 1.00 0.00 N ATOM 816 CA VAL A 55 4.236 -2.770 -2.450 1.00 0.00 C ATOM 817 C VAL A 55 5.375 -3.786 -2.343 1.00 0.00 C ATOM 818 O VAL A 55 6.067 -3.805 -1.319 1.00 0.00 O ATOM 819 CB VAL A 55 4.672 -1.356 -1.998 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.591 -0.720 -3.051 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.470 -0.432 -1.763 1.00 0.00 C ATOM 0 H VAL A 55 3.380 -3.072 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 55 3.883 -2.624 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 55 5.206 -1.473 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.890 0.275 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.477 -1.340 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.059 -0.642 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.822 0.550 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.901 -0.333 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.832 -0.855 -0.987 1.00 0.00 H new ATOM 831 N THR A 56 5.536 -4.642 -3.350 1.00 0.00 N ATOM 832 CA THR A 56 6.568 -5.673 -3.361 1.00 0.00 C ATOM 833 C THR A 56 7.591 -5.353 -4.448 1.00 0.00 C ATOM 834 O THR A 56 7.230 -5.117 -5.602 1.00 0.00 O ATOM 835 CB THR A 56 5.930 -7.062 -3.553 1.00 0.00 C ATOM 836 OG1 THR A 56 4.743 -7.196 -2.794 1.00 0.00 O ATOM 837 CG2 THR A 56 6.892 -8.180 -3.136 1.00 0.00 C ATOM 0 H THR A 56 4.950 -4.639 -4.185 1.00 0.00 H new ATOM 0 HA THR A 56 7.089 -5.690 -2.404 1.00 0.00 H new ATOM 0 HB THR A 56 5.699 -7.150 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.361 -8.087 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.412 -9.147 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.796 -8.127 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.154 -8.062 -2.084 1.00 0.00 H new ATOM 845 N GLU A 57 8.866 -5.322 -4.075 1.00 0.00 N ATOM 846 CA GLU A 57 10.012 -5.047 -4.927 1.00 0.00 C ATOM 847 C GLU A 57 11.105 -5.998 -4.477 1.00 0.00 C ATOM 848 O GLU A 57 11.166 -6.273 -3.258 1.00 0.00 O ATOM 849 CB GLU A 57 10.430 -3.582 -4.719 1.00 0.00 C ATOM 850 CG GLU A 57 11.623 -3.128 -5.584 1.00 0.00 C ATOM 851 CD GLU A 57 12.561 -2.112 -4.909 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.458 -1.813 -3.692 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.554 -1.687 -5.543 1.00 0.00 O ATOM 0 H GLU A 57 9.141 -5.500 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 57 9.799 -5.189 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.576 -2.940 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.682 -3.435 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.204 -4.006 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.239 -2.690 -6.506 1.00 0.00 H new TER 860 GLU A 57