USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.0339 (180deg=-0.115) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 130:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0865 USER MOD Single : A 17 SER OG : rot 61:sc= -0.348! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -179:sc= -0.789 USER MOD Single : A 46 MET CE :methyl -136:sc= -0.328 (180deg=-1.12) USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 56 TYR OH : rot -90:sc= -1.85! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 79 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.6!) USER MOD Single : A 87 SXO O33 : rot 7:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.932 14.120 -0.267 1.00 3.98 N ATOM 2 CA MET A 1 -17.229 14.104 1.186 1.00 3.18 C ATOM 3 C MET A 1 -16.365 13.087 1.926 1.00 2.64 C ATOM 4 O MET A 1 -16.023 13.293 3.091 1.00 2.90 O ATOM 5 CB MET A 1 -18.715 13.799 1.438 1.00 3.46 C ATOM 6 CG MET A 1 -19.144 12.386 1.066 1.00 3.84 C ATOM 7 SD MET A 1 -20.877 12.058 1.459 1.00 4.73 S ATOM 8 CE MET A 1 -21.032 10.348 0.942 1.00 5.02 C ATOM 0 H1 MET A 1 -17.462 14.891 -0.721 1.00 3.98 H new ATOM 0 H2 MET A 1 -15.913 14.269 -0.411 1.00 3.98 H new ATOM 0 H3 MET A 1 -17.212 13.211 -0.689 1.00 3.98 H new ATOM 0 HA MET A 1 -16.997 15.097 1.571 1.00 3.18 H new ATOM 0 HB2 MET A 1 -18.933 13.965 2.493 1.00 3.46 H new ATOM 0 HB3 MET A 1 -19.319 14.509 0.873 1.00 3.46 H new ATOM 0 HG2 MET A 1 -18.982 12.230 -0.001 1.00 3.84 H new ATOM 0 HG3 MET A 1 -18.514 11.669 1.592 1.00 3.84 H new ATOM 0 HE1 MET A 1 -22.050 10.004 1.123 1.00 5.02 H new ATOM 0 HE2 MET A 1 -20.806 10.267 -0.121 1.00 5.02 H new ATOM 0 HE3 MET A 1 -20.334 9.732 1.509 1.00 5.02 H new ATOM 20 N ALA A 2 -15.997 12.002 1.253 1.00 2.32 N ATOM 21 CA ALA A 2 -15.253 10.927 1.890 1.00 1.93 C ATOM 22 C ALA A 2 -13.761 11.068 1.639 1.00 1.46 C ATOM 23 O ALA A 2 -13.341 11.662 0.644 1.00 1.43 O ATOM 24 CB ALA A 2 -15.747 9.578 1.390 1.00 2.06 C ATOM 0 H ALA A 2 -16.203 11.846 0.266 1.00 2.32 H new ATOM 0 HA ALA A 2 -15.421 10.990 2.965 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -15.182 8.781 1.874 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.805 9.468 1.626 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.608 9.517 0.311 1.00 2.06 H new ATOM 30 N THR A 3 -12.964 10.527 2.547 1.00 1.35 N ATOM 31 CA THR A 3 -11.519 10.547 2.403 1.00 1.09 C ATOM 32 C THR A 3 -11.014 9.185 1.916 1.00 0.90 C ATOM 33 O THR A 3 -10.975 8.206 2.662 1.00 1.14 O ATOM 34 CB THR A 3 -10.831 10.946 3.735 1.00 1.49 C ATOM 35 OG1 THR A 3 -9.404 10.881 3.609 1.00 2.10 O ATOM 36 CG2 THR A 3 -11.288 10.071 4.893 1.00 2.10 C ATOM 0 H THR A 3 -13.296 10.067 3.395 1.00 1.35 H new ATOM 0 HA THR A 3 -11.261 11.299 1.658 1.00 1.09 H new ATOM 0 HB THR A 3 -11.125 11.973 3.952 1.00 1.49 H new ATOM 0 HG1 THR A 3 -8.989 11.138 4.459 1.00 2.10 H new ATOM 0 HG21 THR A 3 -10.783 10.384 5.807 1.00 2.10 H new ATOM 0 HG22 THR A 3 -12.366 10.172 5.022 1.00 2.10 H new ATOM 0 HG23 THR A 3 -11.044 9.030 4.681 1.00 2.10 H new ATOM 44 N LEU A 4 -10.658 9.130 0.642 1.00 0.64 N ATOM 45 CA LEU A 4 -10.166 7.900 0.031 1.00 0.51 C ATOM 46 C LEU A 4 -8.670 7.738 0.270 1.00 0.45 C ATOM 47 O LEU A 4 -8.030 8.615 0.849 1.00 0.52 O ATOM 48 CB LEU A 4 -10.447 7.915 -1.476 1.00 0.57 C ATOM 49 CG LEU A 4 -11.910 8.132 -1.869 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.042 8.284 -3.377 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.776 6.983 -1.377 1.00 0.84 C ATOM 0 H LEU A 4 -10.700 9.926 0.006 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.686 7.059 0.490 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.845 8.701 -1.933 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.111 6.969 -1.900 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.255 9.051 -1.396 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.089 8.437 -3.637 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.456 9.141 -3.709 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.675 7.382 -3.867 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.812 7.158 -1.667 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.428 6.050 -1.819 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.710 6.917 -0.291 1.00 0.84 H new ATOM 63 N LEU A 5 -8.115 6.617 -0.177 1.00 0.39 N ATOM 64 CA LEU A 5 -6.677 6.397 -0.111 1.00 0.35 C ATOM 65 C LEU A 5 -6.040 7.036 -1.343 1.00 0.35 C ATOM 66 O LEU A 5 -6.400 6.699 -2.473 1.00 0.41 O ATOM 67 CB LEU A 5 -6.366 4.894 -0.067 1.00 0.38 C ATOM 68 CG LEU A 5 -5.110 4.493 0.715 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.011 2.981 0.807 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.854 5.063 0.075 1.00 0.98 C ATOM 0 H LEU A 5 -8.641 5.846 -0.589 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.272 6.847 0.795 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.222 4.378 0.368 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.264 4.534 -1.091 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.193 4.908 1.720 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.115 2.708 1.365 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.890 2.589 1.319 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.957 2.558 -0.196 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.981 4.760 0.654 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.762 4.687 -0.944 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -3.917 6.151 0.056 1.00 0.98 H new ATOM 82 N THR A 6 -5.114 7.956 -1.128 1.00 0.39 N ATOM 83 CA THR A 6 -4.515 8.709 -2.219 1.00 0.49 C ATOM 84 C THR A 6 -3.075 8.282 -2.498 1.00 0.42 C ATOM 85 O THR A 6 -2.456 7.604 -1.683 1.00 0.41 O ATOM 86 CB THR A 6 -4.559 10.211 -1.903 1.00 0.69 C ATOM 87 OG1 THR A 6 -4.604 10.387 -0.480 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.772 10.873 -2.542 1.00 1.03 C ATOM 0 H THR A 6 -4.759 8.201 -0.204 1.00 0.39 H new ATOM 0 HA THR A 6 -5.098 8.499 -3.116 1.00 0.49 H new ATOM 0 HB THR A 6 -3.665 10.681 -2.313 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.922 11.037 -0.209 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.776 11.936 -2.301 1.00 1.03 H new ATOM 0 HG22 THR A 6 -5.728 10.747 -3.624 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.682 10.411 -2.160 1.00 1.03 H new ATOM 96 N THR A 7 -2.556 8.695 -3.654 1.00 0.47 N ATOM 97 CA THR A 7 -1.205 8.350 -4.093 1.00 0.45 C ATOM 98 C THR A 7 -0.132 8.792 -3.096 1.00 0.34 C ATOM 99 O THR A 7 0.652 7.975 -2.612 1.00 0.33 O ATOM 100 CB THR A 7 -0.924 9.003 -5.455 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.610 10.261 -5.529 1.00 1.30 O ATOM 102 CG2 THR A 7 -1.367 8.102 -6.594 1.00 1.06 C ATOM 0 H THR A 7 -3.064 9.282 -4.316 1.00 0.47 H new ATOM 0 HA THR A 7 -1.159 7.264 -4.168 1.00 0.45 H new ATOM 0 HB THR A 7 0.150 9.163 -5.551 1.00 0.59 H new ATOM 0 HG1 THR A 7 -1.431 10.681 -6.396 1.00 1.30 H new ATOM 0 HG21 THR A 7 -1.156 8.589 -7.546 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.826 7.157 -6.542 1.00 1.06 H new ATOM 0 HG23 THR A 7 -2.437 7.912 -6.513 1.00 1.06 H new ATOM 110 N ASP A 8 -0.098 10.090 -2.803 1.00 0.41 N ATOM 111 CA ASP A 8 0.911 10.645 -1.901 1.00 0.46 C ATOM 112 C ASP A 8 0.780 10.043 -0.514 1.00 0.40 C ATOM 113 O ASP A 8 1.775 9.753 0.149 1.00 0.48 O ATOM 114 CB ASP A 8 0.792 12.169 -1.808 1.00 0.64 C ATOM 115 CG ASP A 8 1.025 12.870 -3.130 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.071 12.619 -3.766 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.163 13.664 -3.549 1.00 2.19 O ATOM 0 H ASP A 8 -0.755 10.776 -3.175 1.00 0.41 H new ATOM 0 HA ASP A 8 1.889 10.394 -2.311 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.200 12.427 -1.438 1.00 0.64 H new ATOM 0 HB3 ASP A 8 1.511 12.539 -1.077 1.00 0.64 H new ATOM 122 N ASP A 9 -0.456 9.866 -0.077 1.00 0.40 N ATOM 123 CA ASP A 9 -0.736 9.260 1.216 1.00 0.44 C ATOM 124 C ASP A 9 -0.348 7.784 1.229 1.00 0.38 C ATOM 125 O ASP A 9 -0.016 7.230 2.276 1.00 0.44 O ATOM 126 CB ASP A 9 -2.208 9.444 1.581 1.00 0.58 C ATOM 127 CG ASP A 9 -2.526 10.883 1.930 1.00 0.86 C ATOM 128 OD1 ASP A 9 -2.788 11.682 1.003 1.00 1.12 O ATOM 129 OD2 ASP A 9 -2.488 11.232 3.133 1.00 1.12 O ATOM 0 H ASP A 9 -1.288 10.135 -0.603 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.130 9.765 1.968 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -2.832 9.126 0.746 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.456 8.802 2.426 1.00 0.58 H new ATOM 134 N LEU A 10 -0.388 7.151 0.063 1.00 0.35 N ATOM 135 CA LEU A 10 0.097 5.786 -0.074 1.00 0.37 C ATOM 136 C LEU A 10 1.614 5.775 0.049 1.00 0.37 C ATOM 137 O LEU A 10 2.182 4.903 0.696 1.00 0.42 O ATOM 138 CB LEU A 10 -0.334 5.188 -1.416 1.00 0.42 C ATOM 139 CG LEU A 10 0.064 3.725 -1.635 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.564 2.836 -0.573 1.00 1.08 C ATOM 141 CD2 LEU A 10 -0.345 3.267 -3.028 1.00 0.79 C ATOM 0 H LEU A 10 -0.750 7.561 -0.798 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.335 5.175 0.719 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.418 5.270 -1.501 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.095 5.789 -2.218 1.00 0.42 H new ATOM 0 HG LEU A 10 1.148 3.645 -1.550 1.00 0.58 H new ATOM 0 HD11 LEU A 10 -0.270 1.801 -0.745 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -0.223 3.151 0.413 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.650 2.918 -0.625 1.00 1.08 H new ATOM 0 HD21 LEU A 10 -0.055 2.226 -3.168 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -1.425 3.361 -3.140 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.152 3.886 -3.775 1.00 0.79 H new ATOM 153 N ARG A 11 2.264 6.757 -0.576 1.00 0.37 N ATOM 154 CA ARG A 11 3.704 6.942 -0.431 1.00 0.45 C ATOM 155 C ARG A 11 4.050 7.076 1.045 1.00 0.48 C ATOM 156 O ARG A 11 5.010 6.479 1.533 1.00 0.60 O ATOM 157 CB ARG A 11 4.168 8.188 -1.196 1.00 0.52 C ATOM 158 CG ARG A 11 5.680 8.376 -1.206 1.00 0.67 C ATOM 159 CD ARG A 11 6.089 9.627 -1.968 1.00 0.85 C ATOM 160 NE ARG A 11 5.879 10.849 -1.193 1.00 1.04 N ATOM 161 CZ ARG A 11 5.104 11.858 -1.590 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.385 11.750 -2.700 1.00 1.64 N ATOM 163 NH2 ARG A 11 5.049 12.970 -0.873 1.00 2.17 N ATOM 0 H ARG A 11 1.813 7.437 -1.188 1.00 0.37 H new ATOM 0 HA ARG A 11 4.216 6.075 -0.848 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.812 8.125 -2.224 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.705 9.069 -0.752 1.00 0.52 H new ATOM 0 HG2 ARG A 11 6.045 8.439 -0.181 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.152 7.504 -1.659 1.00 0.67 H new ATOM 0 HD2 ARG A 11 7.141 9.552 -2.245 1.00 0.85 H new ATOM 0 HD3 ARG A 11 5.519 9.686 -2.895 1.00 0.85 H new ATOM 0 HE ARG A 11 6.354 10.934 -0.295 1.00 1.04 H new ATOM 0 HH11 ARG A 11 4.425 10.893 -3.252 1.00 1.64 H new ATOM 0 HH12 ARG A 11 3.793 12.524 -3.001 1.00 1.64 H new ATOM 0 HH21 ARG A 11 5.599 13.053 -0.018 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.456 13.743 -1.176 1.00 2.17 H new ATOM 177 N ARG A 12 3.240 7.863 1.746 1.00 0.43 N ATOM 178 CA ARG A 12 3.372 8.030 3.186 1.00 0.46 C ATOM 179 C ARG A 12 3.268 6.698 3.913 1.00 0.44 C ATOM 180 O ARG A 12 4.000 6.446 4.865 1.00 0.46 O ATOM 181 CB ARG A 12 2.285 8.955 3.723 1.00 0.53 C ATOM 182 CG ARG A 12 2.508 10.426 3.432 1.00 0.91 C ATOM 183 CD ARG A 12 1.394 11.281 4.021 1.00 1.49 C ATOM 184 NE ARG A 12 1.256 11.108 5.471 1.00 2.06 N ATOM 185 CZ ARG A 12 0.553 11.923 6.257 1.00 2.93 C ATOM 186 NH1 ARG A 12 -0.132 12.934 5.736 1.00 3.32 N ATOM 187 NH2 ARG A 12 0.521 11.710 7.567 1.00 3.66 N ATOM 0 H ARG A 12 2.478 8.400 1.333 1.00 0.43 H new ATOM 0 HA ARG A 12 4.356 8.463 3.366 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.328 8.655 3.297 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.211 8.819 4.802 1.00 0.53 H new ATOM 0 HG2 ARG A 12 3.467 10.739 3.845 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.558 10.582 2.354 1.00 0.91 H new ATOM 0 HD2 ARG A 12 1.592 12.330 3.801 1.00 1.49 H new ATOM 0 HD3 ARG A 12 0.451 11.026 3.537 1.00 1.49 H new ATOM 0 HE ARG A 12 1.728 10.314 5.905 1.00 2.06 H new ATOM 0 HH11 ARG A 12 -0.122 13.091 4.728 1.00 3.32 H new ATOM 0 HH12 ARG A 12 -0.668 13.554 6.344 1.00 3.32 H new ATOM 0 HH21 ARG A 12 1.033 10.925 7.969 1.00 3.66 H new ATOM 0 HH22 ARG A 12 -0.016 12.332 8.172 1.00 3.66 H new ATOM 201 N ALA A 13 2.363 5.851 3.445 1.00 0.43 N ATOM 202 CA ALA A 13 2.052 4.599 4.114 1.00 0.44 C ATOM 203 C ALA A 13 3.273 3.703 4.226 1.00 0.43 C ATOM 204 O ALA A 13 3.493 3.084 5.261 1.00 0.47 O ATOM 205 CB ALA A 13 0.945 3.877 3.375 1.00 0.49 C ATOM 0 H ALA A 13 1.826 6.013 2.593 1.00 0.43 H new ATOM 0 HA ALA A 13 1.720 4.836 5.125 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.719 2.940 3.884 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.053 4.503 3.354 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.265 3.668 2.354 1.00 0.49 H new ATOM 211 N LEU A 14 4.066 3.635 3.165 1.00 0.41 N ATOM 212 CA LEU A 14 5.278 2.825 3.181 1.00 0.45 C ATOM 213 C LEU A 14 6.255 3.344 4.233 1.00 0.47 C ATOM 214 O LEU A 14 6.760 2.579 5.056 1.00 0.53 O ATOM 215 CB LEU A 14 5.953 2.807 1.799 1.00 0.49 C ATOM 216 CG LEU A 14 5.306 1.902 0.739 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.098 0.501 1.287 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.992 2.489 0.243 1.00 0.70 C ATOM 0 H LEU A 14 3.894 4.127 2.288 1.00 0.41 H new ATOM 0 HA LEU A 14 4.992 1.804 3.435 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.972 3.826 1.414 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.990 2.496 1.928 1.00 0.49 H new ATOM 0 HG LEU A 14 5.985 1.841 -0.111 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.639 -0.125 0.522 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.060 0.076 1.574 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.446 0.545 2.159 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.557 1.827 -0.506 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.301 2.593 1.080 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.175 3.468 -0.200 1.00 0.70 H new ATOM 230 N VAL A 15 6.481 4.653 4.213 1.00 0.50 N ATOM 231 CA VAL A 15 7.408 5.299 5.136 1.00 0.57 C ATOM 232 C VAL A 15 6.928 5.148 6.576 1.00 0.60 C ATOM 233 O VAL A 15 7.678 4.713 7.448 1.00 0.71 O ATOM 234 CB VAL A 15 7.550 6.801 4.802 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.557 7.474 5.723 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.942 6.986 3.342 1.00 0.60 C ATOM 0 H VAL A 15 6.030 5.294 3.560 1.00 0.50 H new ATOM 0 HA VAL A 15 8.378 4.813 5.028 1.00 0.57 H new ATOM 0 HB VAL A 15 6.583 7.278 4.962 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.637 8.530 5.465 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.226 7.377 6.757 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.531 6.998 5.607 1.00 0.70 H new ATOM 0 HG21 VAL A 15 8.038 8.049 3.123 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.894 6.490 3.155 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.175 6.551 2.701 1.00 0.60 H new ATOM 246 N GLU A 16 5.669 5.500 6.809 1.00 0.59 N ATOM 247 CA GLU A 16 5.088 5.479 8.149 1.00 0.70 C ATOM 248 C GLU A 16 5.012 4.065 8.731 1.00 0.75 C ATOM 249 O GLU A 16 4.863 3.898 9.943 1.00 0.92 O ATOM 250 CB GLU A 16 3.690 6.108 8.134 1.00 0.86 C ATOM 251 CG GLU A 16 3.682 7.602 7.820 1.00 0.96 C ATOM 252 CD GLU A 16 2.285 8.208 7.827 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.588 8.087 8.853 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.878 8.815 6.810 1.00 1.28 O ATOM 0 H GLU A 16 5.024 5.806 6.080 1.00 0.59 H new ATOM 0 HA GLU A 16 5.748 6.063 8.790 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.078 5.589 7.396 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.221 5.949 9.105 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.301 8.124 8.550 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.137 7.764 6.843 1.00 0.96 H new ATOM 261 N SER A 17 5.085 3.049 7.880 1.00 0.68 N ATOM 262 CA SER A 17 5.025 1.671 8.347 1.00 0.78 C ATOM 263 C SER A 17 6.413 1.108 8.667 1.00 0.80 C ATOM 264 O SER A 17 6.700 0.771 9.814 1.00 1.05 O ATOM 265 CB SER A 17 4.325 0.797 7.313 1.00 0.81 C ATOM 266 OG SER A 17 3.017 1.276 7.055 1.00 1.25 O ATOM 0 H SER A 17 5.185 3.152 6.870 1.00 0.68 H new ATOM 0 HA SER A 17 4.452 1.665 9.274 1.00 0.78 H new ATOM 0 HB2 SER A 17 4.902 0.786 6.389 1.00 0.81 H new ATOM 0 HB3 SER A 17 4.277 -0.231 7.671 1.00 0.81 H new ATOM 0 HG SER A 17 3.067 2.189 6.702 1.00 1.25 H new ATOM 272 N ALA A 18 7.272 1.016 7.651 1.00 0.74 N ATOM 273 CA ALA A 18 8.577 0.383 7.816 1.00 0.87 C ATOM 274 C ALA A 18 9.584 1.334 8.448 1.00 1.11 C ATOM 275 O ALA A 18 10.222 1.001 9.448 1.00 1.68 O ATOM 276 CB ALA A 18 9.097 -0.121 6.478 1.00 1.09 C ATOM 0 H ALA A 18 7.088 1.370 6.712 1.00 0.74 H new ATOM 0 HA ALA A 18 8.450 -0.465 8.489 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.071 -0.590 6.619 1.00 1.09 H new ATOM 0 HB2 ALA A 18 8.399 -0.851 6.068 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.194 0.716 5.787 1.00 1.09 H new ATOM 282 N GLY A 19 9.738 2.510 7.859 1.00 1.18 N ATOM 283 CA GLY A 19 10.633 3.492 8.428 1.00 1.63 C ATOM 284 C GLY A 19 11.888 3.704 7.604 1.00 1.60 C ATOM 285 O GLY A 19 12.781 4.442 8.025 1.00 2.14 O ATOM 0 H GLY A 19 9.263 2.799 7.004 1.00 1.18 H new ATOM 0 HA2 GLY A 19 10.106 4.441 8.526 1.00 1.63 H new ATOM 0 HA3 GLY A 19 10.915 3.178 9.433 1.00 1.63 H new ATOM 289 N GLU A 20 11.980 3.059 6.445 1.00 1.86 N ATOM 290 CA GLU A 20 13.117 3.281 5.559 1.00 2.28 C ATOM 291 C GLU A 20 12.983 4.655 4.909 1.00 2.06 C ATOM 292 O GLU A 20 12.002 4.935 4.222 1.00 2.51 O ATOM 293 CB GLU A 20 13.237 2.181 4.491 1.00 3.28 C ATOM 294 CG GLU A 20 14.536 2.262 3.692 1.00 4.13 C ATOM 295 CD GLU A 20 14.728 1.099 2.740 1.00 4.94 C ATOM 296 OE1 GLU A 20 15.089 0.000 3.203 1.00 5.47 O ATOM 297 OE2 GLU A 20 14.497 1.276 1.525 1.00 5.32 O ATOM 0 H GLU A 20 11.292 2.389 6.101 1.00 1.86 H new ATOM 0 HA GLU A 20 14.030 3.243 6.153 1.00 2.28 H new ATOM 0 HB2 GLU A 20 13.174 1.206 4.974 1.00 3.28 H new ATOM 0 HB3 GLU A 20 12.391 2.253 3.807 1.00 3.28 H new ATOM 0 HG2 GLU A 20 14.548 3.193 3.125 1.00 4.13 H new ATOM 0 HG3 GLU A 20 15.378 2.299 4.383 1.00 4.13 H new ATOM 304 N THR A 21 13.959 5.513 5.161 1.00 2.21 N ATOM 305 CA THR A 21 13.902 6.897 4.713 1.00 2.61 C ATOM 306 C THR A 21 14.294 7.036 3.240 1.00 2.53 C ATOM 307 O THR A 21 13.601 6.537 2.354 1.00 3.19 O ATOM 308 CB THR A 21 14.807 7.777 5.593 1.00 3.61 C ATOM 309 OG1 THR A 21 16.126 7.206 5.661 1.00 3.97 O ATOM 310 CG2 THR A 21 14.246 7.899 6.999 1.00 4.47 C ATOM 0 H THR A 21 14.806 5.274 5.677 1.00 2.21 H new ATOM 0 HA THR A 21 12.870 7.233 4.810 1.00 2.61 H new ATOM 0 HB THR A 21 14.853 8.770 5.145 1.00 3.61 H new ATOM 0 HG1 THR A 21 16.699 7.771 6.221 1.00 3.97 H new ATOM 0 HG21 THR A 21 14.904 8.526 7.600 1.00 4.47 H new ATOM 0 HG22 THR A 21 13.254 8.350 6.957 1.00 4.47 H new ATOM 0 HG23 THR A 21 14.176 6.909 7.450 1.00 4.47 H new ATOM 318 N ASP A 22 15.399 7.722 2.980 1.00 2.22 N ATOM 319 CA ASP A 22 15.891 7.900 1.624 1.00 2.50 C ATOM 320 C ASP A 22 16.523 6.610 1.118 1.00 2.35 C ATOM 321 O ASP A 22 17.746 6.461 1.117 1.00 2.83 O ATOM 322 CB ASP A 22 16.914 9.038 1.567 1.00 3.16 C ATOM 323 CG ASP A 22 16.391 10.329 2.163 1.00 3.77 C ATOM 324 OD1 ASP A 22 16.472 10.489 3.400 1.00 4.01 O ATOM 325 OD2 ASP A 22 15.903 11.192 1.403 1.00 4.40 O ATOM 0 H ASP A 22 15.973 8.166 3.696 1.00 2.22 H new ATOM 0 HA ASP A 22 15.046 8.157 0.985 1.00 2.50 H new ATOM 0 HB2 ASP A 22 17.816 8.737 2.100 1.00 3.16 H new ATOM 0 HB3 ASP A 22 17.200 9.212 0.530 1.00 3.16 H new ATOM 330 N GLY A 23 15.678 5.664 0.737 1.00 2.30 N ATOM 331 CA GLY A 23 16.155 4.398 0.228 1.00 2.50 C ATOM 332 C GLY A 23 16.173 4.358 -1.285 1.00 2.18 C ATOM 333 O GLY A 23 17.141 3.898 -1.891 1.00 2.54 O ATOM 0 H GLY A 23 14.663 5.753 0.772 1.00 2.30 H new ATOM 0 HA2 GLY A 23 17.160 4.212 0.606 1.00 2.50 H new ATOM 0 HA3 GLY A 23 15.520 3.595 0.603 1.00 2.50 H new ATOM 337 N THR A 24 15.107 4.860 -1.893 1.00 1.95 N ATOM 338 CA THR A 24 14.978 4.852 -3.341 1.00 2.00 C ATOM 339 C THR A 24 13.981 5.929 -3.788 1.00 1.78 C ATOM 340 O THR A 24 13.565 6.767 -2.981 1.00 1.91 O ATOM 341 CB THR A 24 14.546 3.454 -3.856 1.00 2.29 C ATOM 342 OG1 THR A 24 14.591 3.412 -5.289 1.00 3.02 O ATOM 343 CG2 THR A 24 13.142 3.100 -3.379 1.00 2.19 C ATOM 0 H THR A 24 14.317 5.279 -1.402 1.00 1.95 H new ATOM 0 HA THR A 24 15.953 5.077 -3.774 1.00 2.00 H new ATOM 0 HB THR A 24 15.245 2.722 -3.451 1.00 2.29 H new ATOM 0 HG1 THR A 24 14.318 2.523 -5.599 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.867 2.115 -3.756 1.00 2.19 H new ATOM 0 HG22 THR A 24 13.119 3.091 -2.289 1.00 2.19 H new ATOM 0 HG23 THR A 24 12.434 3.841 -3.750 1.00 2.19 H new ATOM 351 N ASP A 25 13.586 5.894 -5.056 1.00 1.72 N ATOM 352 CA ASP A 25 12.678 6.895 -5.606 1.00 1.73 C ATOM 353 C ASP A 25 11.230 6.539 -5.329 1.00 1.40 C ATOM 354 O ASP A 25 10.511 6.059 -6.205 1.00 1.55 O ATOM 355 CB ASP A 25 12.883 7.068 -7.111 1.00 2.18 C ATOM 356 CG ASP A 25 13.761 8.254 -7.450 1.00 2.30 C ATOM 357 OD1 ASP A 25 13.246 9.391 -7.502 1.00 2.76 O ATOM 358 OD2 ASP A 25 14.979 8.055 -7.649 1.00 2.59 O ATOM 0 H ASP A 25 13.881 5.182 -5.724 1.00 1.72 H new ATOM 0 HA ASP A 25 12.910 7.838 -5.110 1.00 1.73 H new ATOM 0 HB2 ASP A 25 13.331 6.162 -7.519 1.00 2.18 H new ATOM 0 HB3 ASP A 25 11.913 7.190 -7.594 1.00 2.18 H new ATOM 363 N LEU A 26 10.805 6.769 -4.099 1.00 1.15 N ATOM 364 CA LEU A 26 9.432 6.503 -3.704 1.00 1.01 C ATOM 365 C LEU A 26 8.541 7.680 -4.084 1.00 1.04 C ATOM 366 O LEU A 26 7.318 7.567 -4.104 1.00 1.18 O ATOM 367 CB LEU A 26 9.364 6.239 -2.194 1.00 1.12 C ATOM 368 CG LEU A 26 8.005 5.782 -1.659 1.00 0.89 C ATOM 369 CD1 LEU A 26 7.620 4.432 -2.244 1.00 1.28 C ATOM 370 CD2 LEU A 26 8.025 5.725 -0.138 1.00 1.60 C ATOM 0 H LEU A 26 11.393 7.141 -3.353 1.00 1.15 H new ATOM 0 HA LEU A 26 9.074 5.617 -4.228 1.00 1.01 H new ATOM 0 HB2 LEU A 26 10.106 5.481 -1.943 1.00 1.12 H new ATOM 0 HB3 LEU A 26 9.651 7.151 -1.671 1.00 1.12 H new ATOM 0 HG LEU A 26 7.253 6.509 -1.966 1.00 0.89 H new ATOM 0 HD11 LEU A 26 6.651 4.128 -1.849 1.00 1.28 H new ATOM 0 HD12 LEU A 26 7.562 4.509 -3.330 1.00 1.28 H new ATOM 0 HD13 LEU A 26 8.371 3.690 -1.973 1.00 1.28 H new ATOM 0 HD21 LEU A 26 7.051 5.398 0.227 1.00 1.60 H new ATOM 0 HD22 LEU A 26 8.790 5.021 0.190 1.00 1.60 H new ATOM 0 HD23 LEU A 26 8.248 6.715 0.260 1.00 1.60 H new ATOM 382 N SER A 27 9.170 8.805 -4.400 1.00 1.09 N ATOM 383 CA SER A 27 8.446 10.018 -4.758 1.00 1.24 C ATOM 384 C SER A 27 8.143 10.057 -6.257 1.00 1.33 C ATOM 385 O SER A 27 7.395 10.918 -6.726 1.00 1.85 O ATOM 386 CB SER A 27 9.263 11.243 -4.348 1.00 1.39 C ATOM 387 OG SER A 27 9.645 11.165 -2.984 1.00 2.08 O ATOM 0 H SER A 27 10.185 8.902 -4.416 1.00 1.09 H new ATOM 0 HA SER A 27 7.495 10.024 -4.226 1.00 1.24 H new ATOM 0 HB2 SER A 27 10.152 11.318 -4.975 1.00 1.39 H new ATOM 0 HB3 SER A 27 8.678 12.147 -4.515 1.00 1.39 H new ATOM 0 HG SER A 27 10.168 11.959 -2.745 1.00 2.08 H new ATOM 393 N GLY A 28 8.729 9.125 -7.000 1.00 1.34 N ATOM 394 CA GLY A 28 8.494 9.054 -8.427 1.00 1.58 C ATOM 395 C GLY A 28 7.392 8.073 -8.772 1.00 1.41 C ATOM 396 O GLY A 28 6.356 8.033 -8.106 1.00 1.84 O ATOM 0 H GLY A 28 9.365 8.415 -6.636 1.00 1.34 H new ATOM 0 HA2 GLY A 28 8.229 10.043 -8.801 1.00 1.58 H new ATOM 0 HA3 GLY A 28 9.414 8.758 -8.932 1.00 1.58 H new ATOM 400 N ASP A 29 7.615 7.268 -9.802 1.00 1.35 N ATOM 401 CA ASP A 29 6.625 6.285 -10.234 1.00 1.28 C ATOM 402 C ASP A 29 6.688 5.038 -9.368 1.00 1.21 C ATOM 403 O ASP A 29 6.911 3.936 -9.867 1.00 1.84 O ATOM 404 CB ASP A 29 6.840 5.892 -11.695 1.00 1.54 C ATOM 405 CG ASP A 29 6.606 7.041 -12.650 1.00 2.18 C ATOM 406 OD1 ASP A 29 5.432 7.347 -12.945 1.00 2.77 O ATOM 407 OD2 ASP A 29 7.591 7.653 -13.103 1.00 2.64 O ATOM 0 H ASP A 29 8.472 7.275 -10.355 1.00 1.35 H new ATOM 0 HA ASP A 29 5.643 6.747 -10.131 1.00 1.28 H new ATOM 0 HB2 ASP A 29 7.857 5.522 -11.821 1.00 1.54 H new ATOM 0 HB3 ASP A 29 6.168 5.072 -11.949 1.00 1.54 H new ATOM 412 N PHE A 30 6.474 5.207 -8.072 1.00 0.72 N ATOM 413 CA PHE A 30 6.537 4.085 -7.142 1.00 0.64 C ATOM 414 C PHE A 30 5.409 3.103 -7.434 1.00 0.53 C ATOM 415 O PHE A 30 5.541 1.903 -7.224 1.00 0.50 O ATOM 416 CB PHE A 30 6.477 4.578 -5.688 1.00 0.64 C ATOM 417 CG PHE A 30 5.136 5.117 -5.248 1.00 0.57 C ATOM 418 CD1 PHE A 30 4.644 6.317 -5.742 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.370 4.413 -4.331 1.00 0.70 C ATOM 420 CE1 PHE A 30 3.416 6.801 -5.330 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.142 4.892 -3.917 1.00 0.87 C ATOM 422 CZ PHE A 30 2.665 6.086 -4.416 1.00 0.92 C ATOM 0 H PHE A 30 6.256 6.105 -7.640 1.00 0.72 H new ATOM 0 HA PHE A 30 7.488 3.570 -7.277 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.754 3.754 -5.030 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.226 5.358 -5.554 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.227 6.879 -6.456 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.738 3.478 -3.935 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.044 7.736 -5.722 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.556 4.332 -3.203 1.00 0.87 H new ATOM 0 HZ PHE A 30 1.706 6.462 -4.093 1.00 0.92 H new ATOM 432 N LEU A 31 4.302 3.637 -7.941 1.00 0.50 N ATOM 433 CA LEU A 31 3.157 2.832 -8.354 1.00 0.45 C ATOM 434 C LEU A 31 3.545 1.795 -9.409 1.00 0.41 C ATOM 435 O LEU A 31 2.875 0.773 -9.564 1.00 0.43 O ATOM 436 CB LEU A 31 2.062 3.736 -8.923 1.00 0.52 C ATOM 437 CG LEU A 31 1.503 4.785 -7.959 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.494 5.668 -8.668 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.867 4.120 -6.748 1.00 0.43 C ATOM 0 H LEU A 31 4.173 4.640 -8.077 1.00 0.50 H new ATOM 0 HA LEU A 31 2.792 2.306 -7.472 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.458 4.249 -9.800 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.239 3.108 -9.266 1.00 0.52 H new ATOM 0 HG LEU A 31 2.329 5.407 -7.613 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.105 6.409 -7.970 1.00 0.78 H new ATOM 0 HD12 LEU A 31 0.977 6.175 -9.503 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.327 5.055 -9.041 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.476 4.884 -6.076 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.053 3.473 -7.074 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.616 3.525 -6.225 1.00 0.43 H new ATOM 451 N ASP A 32 4.628 2.070 -10.129 1.00 0.41 N ATOM 452 CA ASP A 32 5.022 1.262 -11.276 1.00 0.43 C ATOM 453 C ASP A 32 6.045 0.197 -10.873 1.00 0.42 C ATOM 454 O ASP A 32 6.200 -0.819 -11.549 1.00 0.51 O ATOM 455 CB ASP A 32 5.601 2.179 -12.357 1.00 0.56 C ATOM 456 CG ASP A 32 5.673 1.524 -13.721 1.00 1.39 C ATOM 457 OD1 ASP A 32 4.653 1.498 -14.429 1.00 1.73 O ATOM 458 OD2 ASP A 32 6.752 1.000 -14.074 1.00 2.29 O ATOM 0 H ASP A 32 5.252 2.853 -9.935 1.00 0.41 H new ATOM 0 HA ASP A 32 4.145 0.745 -11.665 1.00 0.43 H new ATOM 0 HB2 ASP A 32 4.990 3.079 -12.425 1.00 0.56 H new ATOM 0 HB3 ASP A 32 6.601 2.494 -12.059 1.00 0.56 H new ATOM 463 N LEU A 33 6.745 0.442 -9.773 1.00 0.43 N ATOM 464 CA LEU A 33 7.719 -0.508 -9.249 1.00 0.48 C ATOM 465 C LEU A 33 7.056 -1.460 -8.261 1.00 0.42 C ATOM 466 O LEU A 33 6.083 -1.098 -7.606 1.00 0.46 O ATOM 467 CB LEU A 33 8.880 0.212 -8.553 1.00 0.56 C ATOM 468 CG LEU A 33 9.948 0.819 -9.476 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.521 -0.246 -10.401 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.389 1.980 -10.282 1.00 1.01 C ATOM 0 H LEU A 33 6.656 1.296 -9.223 1.00 0.43 H new ATOM 0 HA LEU A 33 8.113 -1.073 -10.094 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.468 1.009 -7.934 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.368 -0.494 -7.881 1.00 0.56 H new ATOM 0 HG LEU A 33 10.751 1.206 -8.848 1.00 0.68 H new ATOM 0 HD11 LEU A 33 11.276 0.202 -11.048 1.00 1.23 H new ATOM 0 HD12 LEU A 33 10.976 -1.038 -9.806 1.00 1.23 H new ATOM 0 HD13 LEU A 33 9.722 -0.665 -11.012 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.170 2.386 -10.924 1.00 1.01 H new ATOM 0 HD22 LEU A 33 8.559 1.630 -10.896 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.036 2.757 -9.604 1.00 1.01 H new ATOM 482 N ARG A 34 7.576 -2.673 -8.153 1.00 0.40 N ATOM 483 CA ARG A 34 7.045 -3.640 -7.204 1.00 0.39 C ATOM 484 C ARG A 34 7.410 -3.270 -5.773 1.00 0.36 C ATOM 485 O ARG A 34 8.395 -2.570 -5.531 1.00 0.42 O ATOM 486 CB ARG A 34 7.587 -5.033 -7.494 1.00 0.50 C ATOM 487 CG ARG A 34 6.889 -5.775 -8.616 1.00 0.66 C ATOM 488 CD ARG A 34 7.591 -7.091 -8.887 1.00 0.80 C ATOM 489 NE ARG A 34 6.670 -8.133 -9.308 1.00 1.41 N ATOM 490 CZ ARG A 34 6.986 -9.428 -9.336 1.00 1.84 C ATOM 491 NH1 ARG A 34 8.204 -9.831 -8.987 1.00 1.72 N ATOM 492 NH2 ARG A 34 6.078 -10.318 -9.696 1.00 2.88 N ATOM 0 H ARG A 34 8.362 -3.011 -8.708 1.00 0.40 H new ATOM 0 HA ARG A 34 5.961 -3.632 -7.314 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.646 -4.950 -7.738 1.00 0.50 H new ATOM 0 HB3 ARG A 34 7.515 -5.630 -6.585 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.848 -5.958 -8.349 1.00 0.66 H new ATOM 0 HG3 ARG A 34 6.884 -5.164 -9.519 1.00 0.66 H new ATOM 0 HD2 ARG A 34 8.347 -6.944 -9.658 1.00 0.80 H new ATOM 0 HD3 ARG A 34 8.113 -7.413 -7.986 1.00 0.80 H new ATOM 0 HE ARG A 34 5.731 -7.859 -9.598 1.00 1.41 H new ATOM 0 HH11 ARG A 34 8.903 -9.148 -8.696 1.00 1.72 H new ATOM 0 HH12 ARG A 34 8.439 -10.823 -9.011 1.00 1.72 H new ATOM 0 HH21 ARG A 34 5.139 -10.014 -9.951 1.00 2.88 H new ATOM 0 HH22 ARG A 34 6.317 -11.309 -9.718 1.00 2.88 H new ATOM 506 N PHE A 35 6.618 -3.756 -4.826 1.00 0.36 N ATOM 507 CA PHE A 35 6.930 -3.605 -3.410 1.00 0.39 C ATOM 508 C PHE A 35 8.318 -4.165 -3.102 1.00 0.46 C ATOM 509 O PHE A 35 9.100 -3.562 -2.365 1.00 0.49 O ATOM 510 CB PHE A 35 5.878 -4.308 -2.553 1.00 0.45 C ATOM 511 CG PHE A 35 4.502 -3.712 -2.680 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.194 -2.513 -2.056 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.521 -4.348 -3.418 1.00 0.52 C ATOM 514 CE1 PHE A 35 2.932 -1.959 -2.165 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.255 -3.800 -3.532 1.00 0.59 C ATOM 516 CZ PHE A 35 1.962 -2.604 -2.903 1.00 0.59 C ATOM 0 H PHE A 35 5.751 -4.260 -5.014 1.00 0.36 H new ATOM 0 HA PHE A 35 6.923 -2.542 -3.171 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.836 -5.360 -2.834 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.187 -4.269 -1.508 1.00 0.45 H new ATOM 0 HD1 PHE A 35 4.950 -2.005 -1.477 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.745 -5.283 -3.911 1.00 0.52 H new ATOM 0 HE1 PHE A 35 2.707 -1.024 -1.674 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.497 -4.306 -4.112 1.00 0.59 H new ATOM 0 HZ PHE A 35 0.974 -2.175 -2.990 1.00 0.59 H new ATOM 526 N GLU A 36 8.615 -5.328 -3.676 1.00 0.59 N ATOM 527 CA GLU A 36 9.924 -5.954 -3.530 1.00 0.76 C ATOM 528 C GLU A 36 11.034 -5.071 -4.094 1.00 0.71 C ATOM 529 O GLU A 36 12.169 -5.113 -3.623 1.00 0.80 O ATOM 530 CB GLU A 36 9.947 -7.317 -4.227 1.00 1.00 C ATOM 531 CG GLU A 36 9.571 -7.257 -5.697 1.00 1.26 C ATOM 532 CD GLU A 36 9.919 -8.525 -6.448 1.00 1.89 C ATOM 533 OE1 GLU A 36 9.834 -9.618 -5.843 1.00 2.28 O ATOM 534 OE2 GLU A 36 10.265 -8.443 -7.641 1.00 2.60 O ATOM 0 H GLU A 36 7.960 -5.859 -4.251 1.00 0.59 H new ATOM 0 HA GLU A 36 10.103 -6.090 -2.463 1.00 0.76 H new ATOM 0 HB2 GLU A 36 10.945 -7.746 -4.133 1.00 1.00 H new ATOM 0 HB3 GLU A 36 9.261 -7.990 -3.713 1.00 1.00 H new ATOM 0 HG2 GLU A 36 8.501 -7.071 -5.785 1.00 1.26 H new ATOM 0 HG3 GLU A 36 10.081 -6.414 -6.163 1.00 1.26 H new ATOM 541 N ASP A 37 10.701 -4.255 -5.091 1.00 0.65 N ATOM 542 CA ASP A 37 11.702 -3.440 -5.772 1.00 0.74 C ATOM 543 C ASP A 37 12.013 -2.200 -4.959 1.00 0.66 C ATOM 544 O ASP A 37 13.126 -1.686 -5.005 1.00 0.75 O ATOM 545 CB ASP A 37 11.240 -3.016 -7.171 1.00 0.86 C ATOM 546 CG ASP A 37 11.207 -4.158 -8.169 1.00 1.28 C ATOM 547 OD1 ASP A 37 12.210 -4.893 -8.273 1.00 1.38 O ATOM 548 OD2 ASP A 37 10.186 -4.313 -8.866 1.00 2.03 O ATOM 0 H ASP A 37 9.751 -4.141 -5.444 1.00 0.65 H new ATOM 0 HA ASP A 37 12.597 -4.054 -5.876 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.245 -2.578 -7.099 1.00 0.86 H new ATOM 0 HB3 ASP A 37 11.905 -2.237 -7.544 1.00 0.86 H new ATOM 553 N ILE A 38 11.032 -1.727 -4.204 1.00 0.54 N ATOM 554 CA ILE A 38 11.244 -0.583 -3.329 1.00 0.54 C ATOM 555 C ILE A 38 11.733 -1.032 -1.952 1.00 0.50 C ATOM 556 O ILE A 38 11.894 -0.220 -1.046 1.00 0.55 O ATOM 557 CB ILE A 38 9.978 0.294 -3.186 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.773 -0.556 -2.773 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.698 1.030 -4.489 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.500 0.238 -2.571 1.00 0.57 C ATOM 0 H ILE A 38 10.089 -2.114 -4.179 1.00 0.54 H new ATOM 0 HA ILE A 38 12.014 0.030 -3.798 1.00 0.54 H new ATOM 0 HB ILE A 38 10.154 1.031 -2.403 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.598 -1.315 -3.535 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.012 -1.082 -1.848 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.804 1.644 -4.375 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.547 1.667 -4.737 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.542 0.307 -5.289 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.694 -0.435 -2.280 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.654 0.979 -1.787 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.234 0.742 -3.500 1.00 0.57 H new ATOM 572 N GLY A 39 11.992 -2.330 -1.822 1.00 0.53 N ATOM 573 CA GLY A 39 12.615 -2.856 -0.618 1.00 0.58 C ATOM 574 C GLY A 39 11.642 -3.189 0.500 1.00 0.51 C ATOM 575 O GLY A 39 11.972 -3.036 1.674 1.00 0.62 O ATOM 0 H GLY A 39 11.781 -3.031 -2.532 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.174 -3.756 -0.876 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.337 -2.127 -0.249 1.00 0.58 H new ATOM 579 N TYR A 40 10.452 -3.653 0.152 1.00 0.47 N ATOM 580 CA TYR A 40 9.467 -4.029 1.154 1.00 0.47 C ATOM 581 C TYR A 40 9.124 -5.506 1.044 1.00 0.55 C ATOM 582 O TYR A 40 8.699 -5.981 -0.011 1.00 0.71 O ATOM 583 CB TYR A 40 8.216 -3.159 1.031 1.00 0.47 C ATOM 584 CG TYR A 40 8.437 -1.747 1.529 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.131 -0.822 0.759 1.00 0.48 C ATOM 586 CD2 TYR A 40 7.932 -1.329 2.753 1.00 0.49 C ATOM 587 CE1 TYR A 40 9.317 0.475 1.197 1.00 0.52 C ATOM 588 CE2 TYR A 40 8.116 -0.037 3.198 1.00 0.53 C ATOM 589 CZ TYR A 40 8.879 0.832 2.468 1.00 0.53 C ATOM 590 OH TYR A 40 8.983 2.154 2.851 1.00 0.61 O ATOM 0 H TYR A 40 10.146 -3.778 -0.813 1.00 0.47 H new ATOM 0 HA TYR A 40 9.897 -3.860 2.141 1.00 0.47 H new ATOM 0 HB2 TYR A 40 7.901 -3.127 -0.012 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.403 -3.616 1.595 1.00 0.47 H new ATOM 0 HD1 TYR A 40 9.532 -1.122 -0.198 1.00 0.48 H new ATOM 0 HD2 TYR A 40 7.385 -2.029 3.368 1.00 0.49 H new ATOM 0 HE1 TYR A 40 9.797 1.203 0.560 1.00 0.52 H new ATOM 0 HE2 TYR A 40 7.659 0.288 4.121 1.00 0.53 H new ATOM 0 HH TYR A 40 8.653 2.256 3.768 1.00 0.61 H new ATOM 600 N ASP A 41 9.339 -6.223 2.139 1.00 0.58 N ATOM 601 CA ASP A 41 9.131 -7.664 2.182 1.00 0.71 C ATOM 602 C ASP A 41 7.727 -7.993 2.674 1.00 0.66 C ATOM 603 O ASP A 41 6.909 -7.100 2.875 1.00 0.93 O ATOM 604 CB ASP A 41 10.159 -8.313 3.112 1.00 0.89 C ATOM 605 CG ASP A 41 9.796 -8.135 4.574 1.00 1.40 C ATOM 606 OD1 ASP A 41 9.668 -6.976 5.015 1.00 1.93 O ATOM 607 OD2 ASP A 41 9.667 -9.150 5.286 1.00 1.82 O ATOM 0 H ASP A 41 9.662 -5.823 3.020 1.00 0.58 H new ATOM 0 HA ASP A 41 9.251 -8.056 1.172 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.234 -9.376 2.884 1.00 0.89 H new ATOM 0 HB3 ASP A 41 11.141 -7.878 2.927 1.00 0.89 H new ATOM 612 N SER A 42 7.463 -9.279 2.860 1.00 0.63 N ATOM 613 CA SER A 42 6.173 -9.754 3.340 1.00 0.63 C ATOM 614 C SER A 42 5.799 -9.110 4.676 1.00 0.54 C ATOM 615 O SER A 42 4.679 -8.616 4.847 1.00 0.50 O ATOM 616 CB SER A 42 6.212 -11.274 3.479 1.00 0.77 C ATOM 617 OG SER A 42 7.321 -11.673 4.342 1.00 0.91 O ATOM 0 H SER A 42 8.138 -10.023 2.682 1.00 0.63 H new ATOM 0 HA SER A 42 5.411 -9.470 2.614 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.271 -11.633 3.895 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.322 -11.734 2.497 1.00 0.77 H new ATOM 622 N LEU A 43 6.749 -9.100 5.609 1.00 0.57 N ATOM 623 CA LEU A 43 6.506 -8.583 6.951 1.00 0.57 C ATOM 624 C LEU A 43 6.208 -7.090 6.905 1.00 0.48 C ATOM 625 O LEU A 43 5.202 -6.633 7.448 1.00 0.49 O ATOM 626 CB LEU A 43 7.711 -8.859 7.859 1.00 0.68 C ATOM 627 CG LEU A 43 7.552 -8.413 9.313 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.380 -9.130 9.969 1.00 0.90 C ATOM 629 CD2 LEU A 43 8.832 -8.678 10.084 1.00 1.32 C ATOM 0 H LEU A 43 7.697 -9.446 5.458 1.00 0.57 H new ATOM 0 HA LEU A 43 5.637 -9.095 7.363 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.917 -9.929 7.845 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.584 -8.361 7.437 1.00 0.68 H new ATOM 0 HG LEU A 43 7.349 -7.342 9.327 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.284 -8.799 11.003 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.463 -8.899 9.427 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.553 -10.206 9.947 1.00 0.90 H new ATOM 0 HD21 LEU A 43 8.707 -8.356 11.118 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.057 -9.744 10.060 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.653 -8.124 9.628 1.00 1.32 H new ATOM 641 N ALA A 44 7.070 -6.335 6.238 1.00 0.44 N ATOM 642 CA ALA A 44 6.866 -4.902 6.107 1.00 0.41 C ATOM 643 C ALA A 44 5.571 -4.612 5.359 1.00 0.34 C ATOM 644 O ALA A 44 4.853 -3.662 5.682 1.00 0.36 O ATOM 645 CB ALA A 44 8.044 -4.253 5.399 1.00 0.47 C ATOM 0 H ALA A 44 7.911 -6.689 5.783 1.00 0.44 H new ATOM 0 HA ALA A 44 6.791 -4.476 7.108 1.00 0.41 H new ATOM 0 HB1 ALA A 44 7.870 -3.181 5.312 1.00 0.47 H new ATOM 0 HB2 ALA A 44 8.954 -4.428 5.973 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.154 -4.685 4.404 1.00 0.47 H new ATOM 651 N LEU A 45 5.264 -5.450 4.376 1.00 0.35 N ATOM 652 CA LEU A 45 4.072 -5.274 3.560 1.00 0.35 C ATOM 653 C LEU A 45 2.806 -5.456 4.395 1.00 0.34 C ATOM 654 O LEU A 45 1.881 -4.647 4.313 1.00 0.36 O ATOM 655 CB LEU A 45 4.076 -6.258 2.387 1.00 0.43 C ATOM 656 CG LEU A 45 3.059 -5.960 1.287 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.321 -4.593 0.683 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.104 -7.035 0.211 1.00 0.74 C ATOM 0 H LEU A 45 5.828 -6.262 4.125 1.00 0.35 H new ATOM 0 HA LEU A 45 4.080 -4.257 3.167 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.073 -6.269 1.946 1.00 0.43 H new ATOM 0 HB3 LEU A 45 3.887 -7.260 2.773 1.00 0.43 H new ATOM 0 HG LEU A 45 2.063 -5.959 1.729 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.589 -4.394 -0.099 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.240 -3.831 1.458 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.323 -4.570 0.256 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.373 -6.805 -0.564 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.101 -7.068 -0.229 1.00 0.74 H new ATOM 0 HD23 LEU A 45 2.871 -8.003 0.654 1.00 0.74 H new ATOM 670 N MET A 46 2.767 -6.502 5.214 1.00 0.36 N ATOM 671 CA MET A 46 1.595 -6.764 6.043 1.00 0.40 C ATOM 672 C MET A 46 1.446 -5.704 7.134 1.00 0.37 C ATOM 673 O MET A 46 0.325 -5.328 7.488 1.00 0.41 O ATOM 674 CB MET A 46 1.629 -8.172 6.663 1.00 0.49 C ATOM 675 CG MET A 46 2.769 -8.408 7.641 1.00 0.52 C ATOM 676 SD MET A 46 2.564 -9.928 8.592 1.00 1.21 S ATOM 677 CE MET A 46 1.049 -9.564 9.477 1.00 1.26 C ATOM 0 H MET A 46 3.525 -7.176 5.322 1.00 0.36 H new ATOM 0 HA MET A 46 0.726 -6.714 5.388 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.685 -8.351 7.177 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.699 -8.906 5.860 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.710 -8.451 7.093 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.837 -7.562 8.325 1.00 0.52 H new ATOM 0 HE1 MET A 46 1.154 -9.869 10.518 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.849 -8.494 9.431 1.00 1.26 H new ATOM 0 HE3 MET A 46 0.222 -10.108 9.021 1.00 1.26 H new ATOM 687 N GLU A 47 2.565 -5.213 7.661 1.00 0.37 N ATOM 688 CA GLU A 47 2.521 -4.124 8.635 1.00 0.42 C ATOM 689 C GLU A 47 2.003 -2.845 7.984 1.00 0.41 C ATOM 690 O GLU A 47 1.273 -2.069 8.606 1.00 0.47 O ATOM 691 CB GLU A 47 3.893 -3.885 9.275 1.00 0.48 C ATOM 692 CG GLU A 47 4.327 -5.004 10.208 1.00 0.62 C ATOM 693 CD GLU A 47 5.528 -4.636 11.054 1.00 1.21 C ATOM 694 OE1 GLU A 47 6.667 -4.857 10.590 1.00 2.20 O ATOM 695 OE2 GLU A 47 5.342 -4.124 12.176 1.00 1.18 O ATOM 0 H GLU A 47 3.502 -5.546 7.434 1.00 0.37 H new ATOM 0 HA GLU A 47 1.833 -4.417 9.428 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.638 -3.769 8.488 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.868 -2.948 9.831 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.496 -5.267 10.862 1.00 0.62 H new ATOM 0 HG3 GLU A 47 4.562 -5.890 9.619 1.00 0.62 H new ATOM 702 N THR A 48 2.375 -2.633 6.726 1.00 0.37 N ATOM 703 CA THR A 48 1.875 -1.497 5.956 1.00 0.42 C ATOM 704 C THR A 48 0.357 -1.596 5.775 1.00 0.40 C ATOM 705 O THR A 48 -0.360 -0.598 5.872 1.00 0.43 O ATOM 706 CB THR A 48 2.557 -1.410 4.575 1.00 0.45 C ATOM 707 OG1 THR A 48 3.982 -1.369 4.735 1.00 0.47 O ATOM 708 CG2 THR A 48 2.099 -0.174 3.812 1.00 0.54 C ATOM 0 H THR A 48 3.023 -3.234 6.216 1.00 0.37 H new ATOM 0 HA THR A 48 2.113 -0.592 6.516 1.00 0.42 H new ATOM 0 HB THR A 48 2.274 -2.295 4.004 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.294 -2.221 5.105 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.596 -0.140 2.843 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.020 -0.216 3.665 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.352 0.720 4.382 1.00 0.54 H new ATOM 716 N ALA A 49 -0.125 -2.813 5.529 1.00 0.40 N ATOM 717 CA ALA A 49 -1.556 -3.066 5.400 1.00 0.39 C ATOM 718 C ALA A 49 -2.309 -2.609 6.648 1.00 0.34 C ATOM 719 O ALA A 49 -3.299 -1.885 6.555 1.00 0.33 O ATOM 720 CB ALA A 49 -1.815 -4.541 5.149 1.00 0.46 C ATOM 0 H ALA A 49 0.459 -3.642 5.415 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.921 -2.492 4.548 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.888 -4.711 5.055 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.317 -4.846 4.229 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.426 -5.126 5.983 1.00 0.46 H new ATOM 726 N ALA A 50 -1.813 -3.030 7.810 1.00 0.37 N ATOM 727 CA ALA A 50 -2.419 -2.673 9.094 1.00 0.40 C ATOM 728 C ALA A 50 -2.456 -1.162 9.294 1.00 0.39 C ATOM 729 O ALA A 50 -3.330 -0.638 9.989 1.00 0.44 O ATOM 730 CB ALA A 50 -1.659 -3.335 10.231 1.00 0.49 C ATOM 0 H ALA A 50 -0.987 -3.623 7.890 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.448 -3.033 9.091 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.117 -3.063 11.182 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.692 -4.418 10.109 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.622 -3.000 10.219 1.00 0.49 H new ATOM 736 N ARG A 51 -1.516 -0.469 8.662 1.00 0.37 N ATOM 737 CA ARG A 51 -1.407 0.968 8.757 1.00 0.44 C ATOM 738 C ARG A 51 -2.481 1.637 7.898 1.00 0.40 C ATOM 739 O ARG A 51 -2.947 2.732 8.206 1.00 0.52 O ATOM 740 CB ARG A 51 0.009 1.373 8.309 1.00 0.52 C ATOM 741 CG ARG A 51 0.082 2.703 7.594 1.00 0.68 C ATOM 742 CD ARG A 51 0.029 3.876 8.557 1.00 0.95 C ATOM 743 NE ARG A 51 1.218 3.929 9.405 1.00 1.47 N ATOM 744 CZ ARG A 51 1.307 4.639 10.531 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.269 5.351 10.959 1.00 1.94 N ATOM 746 NH2 ARG A 51 2.438 4.645 11.227 1.00 2.86 N ATOM 0 H ARG A 51 -0.807 -0.898 8.067 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.566 1.297 9.784 1.00 0.44 H new ATOM 0 HB2 ARG A 51 0.657 1.409 9.184 1.00 0.52 H new ATOM 0 HB3 ARG A 51 0.404 0.599 7.651 1.00 0.52 H new ATOM 0 HG2 ARG A 51 1.004 2.752 7.015 1.00 0.68 H new ATOM 0 HG3 ARG A 51 -0.743 2.779 6.886 1.00 0.68 H new ATOM 0 HD2 ARG A 51 -0.059 4.806 7.995 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -0.861 3.795 9.181 1.00 0.95 H new ATOM 0 HE ARG A 51 2.033 3.388 9.117 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -0.601 5.356 10.426 1.00 1.94 H new ATOM 0 HH12 ARG A 51 0.342 5.892 11.821 1.00 1.94 H new ATOM 0 HH21 ARG A 51 3.240 4.106 10.901 1.00 2.86 H new ATOM 0 HH22 ARG A 51 2.504 5.188 12.088 1.00 2.86 H new ATOM 760 N LEU A 52 -2.872 0.964 6.825 1.00 0.32 N ATOM 761 CA LEU A 52 -3.879 1.488 5.916 1.00 0.31 C ATOM 762 C LEU A 52 -5.284 1.220 6.440 1.00 0.27 C ATOM 763 O LEU A 52 -6.165 2.073 6.335 1.00 0.30 O ATOM 764 CB LEU A 52 -3.723 0.857 4.532 1.00 0.35 C ATOM 765 CG LEU A 52 -2.404 1.162 3.820 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.332 0.417 2.496 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.257 2.656 3.601 1.00 0.56 C ATOM 0 H LEU A 52 -2.504 0.049 6.563 1.00 0.32 H new ATOM 0 HA LEU A 52 -3.734 2.566 5.843 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.822 -0.224 4.630 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.544 1.197 3.901 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.581 0.823 4.450 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.388 0.644 2.001 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.397 -0.656 2.678 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.160 0.728 1.858 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.314 2.858 3.093 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.083 3.017 2.989 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.268 3.168 4.563 1.00 0.56 H new ATOM 779 N GLU A 53 -5.471 0.035 7.011 1.00 0.25 N ATOM 780 CA GLU A 53 -6.777 -0.397 7.493 1.00 0.26 C ATOM 781 C GLU A 53 -7.366 0.595 8.492 1.00 0.30 C ATOM 782 O GLU A 53 -8.455 1.124 8.280 1.00 0.36 O ATOM 783 CB GLU A 53 -6.671 -1.774 8.145 1.00 0.27 C ATOM 784 CG GLU A 53 -6.179 -2.866 7.210 1.00 0.32 C ATOM 785 CD GLU A 53 -6.104 -4.214 7.896 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.201 -4.410 8.739 1.00 0.51 O ATOM 787 OE2 GLU A 53 -6.940 -5.088 7.587 1.00 0.48 O ATOM 0 H GLU A 53 -4.727 -0.649 7.152 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.442 -0.448 6.631 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.996 -1.709 8.998 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.649 -2.057 8.534 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -6.846 -2.934 6.351 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.194 -2.599 6.828 1.00 0.32 H new ATOM 794 N SER A 54 -6.635 0.843 9.571 1.00 0.36 N ATOM 795 CA SER A 54 -7.101 1.723 10.638 1.00 0.46 C ATOM 796 C SER A 54 -7.166 3.183 10.188 1.00 0.43 C ATOM 797 O SER A 54 -7.961 3.967 10.701 1.00 0.53 O ATOM 798 CB SER A 54 -6.177 1.581 11.845 1.00 0.59 C ATOM 799 OG SER A 54 -4.819 1.613 11.442 1.00 1.42 O ATOM 0 H SER A 54 -5.710 0.444 9.732 1.00 0.36 H new ATOM 0 HA SER A 54 -8.114 1.426 10.908 1.00 0.46 H new ATOM 0 HB2 SER A 54 -6.370 2.386 12.554 1.00 0.59 H new ATOM 0 HB3 SER A 54 -6.386 0.644 12.361 1.00 0.59 H new ATOM 0 HG SER A 54 -4.242 1.522 12.229 1.00 1.42 H new ATOM 805 N ARG A 55 -6.333 3.534 9.220 1.00 0.37 N ATOM 806 CA ARG A 55 -6.215 4.915 8.775 1.00 0.40 C ATOM 807 C ARG A 55 -7.381 5.305 7.867 1.00 0.40 C ATOM 808 O ARG A 55 -7.952 6.385 8.012 1.00 0.47 O ATOM 809 CB ARG A 55 -4.875 5.108 8.053 1.00 0.47 C ATOM 810 CG ARG A 55 -4.594 6.530 7.588 1.00 0.66 C ATOM 811 CD ARG A 55 -3.155 6.672 7.117 1.00 0.87 C ATOM 812 NE ARG A 55 -2.934 7.891 6.341 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.745 8.482 6.223 1.00 1.64 C ATOM 814 NH1 ARG A 55 -0.718 8.054 6.949 1.00 1.89 N ATOM 815 NH2 ARG A 55 -1.591 9.522 5.410 1.00 2.42 N ATOM 0 H ARG A 55 -5.727 2.879 8.726 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.249 5.568 9.647 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.072 4.794 8.720 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -4.847 4.446 7.187 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -5.274 6.793 6.778 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -4.785 7.228 8.403 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -2.492 6.672 7.982 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -2.888 5.807 6.510 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.732 8.312 5.865 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -0.840 7.274 7.595 1.00 1.89 H new ATOM 0 HH12 ARG A 55 0.193 8.505 6.860 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -2.385 9.871 4.873 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -0.679 9.971 5.323 1.00 2.42 H new ATOM 829 N TYR A 56 -7.735 4.427 6.938 1.00 0.38 N ATOM 830 CA TYR A 56 -8.760 4.748 5.951 1.00 0.46 C ATOM 831 C TYR A 56 -10.073 4.027 6.242 1.00 0.51 C ATOM 832 O TYR A 56 -11.062 4.217 5.534 1.00 0.71 O ATOM 833 CB TYR A 56 -8.251 4.415 4.549 1.00 0.52 C ATOM 834 CG TYR A 56 -6.973 5.145 4.210 1.00 0.59 C ATOM 835 CD1 TYR A 56 -7.001 6.461 3.767 1.00 0.70 C ATOM 836 CD2 TYR A 56 -5.740 4.516 4.314 1.00 0.66 C ATOM 837 CE1 TYR A 56 -5.839 7.127 3.439 1.00 0.85 C ATOM 838 CE2 TYR A 56 -4.572 5.174 3.984 1.00 0.81 C ATOM 839 CZ TYR A 56 -4.617 6.497 3.626 1.00 0.91 C ATOM 840 OH TYR A 56 -3.472 7.141 3.210 1.00 1.08 O ATOM 0 H TYR A 56 -7.332 3.494 6.846 1.00 0.38 H new ATOM 0 HA TYR A 56 -8.966 5.817 6.010 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.083 3.341 4.472 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -9.017 4.671 3.817 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -7.949 6.971 3.678 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -5.694 3.494 4.659 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -5.880 8.130 3.040 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -3.628 4.650 4.008 1.00 0.81 H new ATOM 0 HH TYR A 56 -3.278 6.896 2.281 1.00 1.08 H new ATOM 850 N GLY A 57 -10.077 3.211 7.284 1.00 0.41 N ATOM 851 CA GLY A 57 -11.293 2.537 7.693 1.00 0.46 C ATOM 852 C GLY A 57 -11.654 1.367 6.797 1.00 0.43 C ATOM 853 O GLY A 57 -12.777 1.277 6.305 1.00 0.58 O ATOM 0 H GLY A 57 -9.258 3.002 7.856 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.178 2.181 8.717 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.115 3.253 7.695 1.00 0.46 H new ATOM 857 N VAL A 58 -10.709 0.461 6.586 1.00 0.32 N ATOM 858 CA VAL A 58 -10.971 -0.731 5.793 1.00 0.33 C ATOM 859 C VAL A 58 -10.457 -1.982 6.486 1.00 0.33 C ATOM 860 O VAL A 58 -9.955 -1.927 7.608 1.00 0.34 O ATOM 861 CB VAL A 58 -10.350 -0.668 4.373 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.198 0.160 3.435 1.00 0.45 C ATOM 863 CG2 VAL A 58 -8.933 -0.119 4.406 1.00 0.30 C ATOM 0 H VAL A 58 -9.759 0.528 6.951 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.055 -0.774 5.692 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.316 -1.692 4.000 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.734 0.183 2.449 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.192 -0.281 3.358 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -11.281 1.176 3.821 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.531 -0.090 3.393 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.943 0.888 4.822 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.308 -0.762 5.026 1.00 0.30 H new ATOM 873 N SER A 59 -10.588 -3.103 5.792 1.00 0.39 N ATOM 874 CA SER A 59 -10.102 -4.387 6.262 1.00 0.49 C ATOM 875 C SER A 59 -9.616 -5.175 5.056 1.00 0.48 C ATOM 876 O SER A 59 -10.395 -5.480 4.152 1.00 0.51 O ATOM 877 CB SER A 59 -11.216 -5.149 6.995 1.00 0.65 C ATOM 878 OG SER A 59 -10.712 -6.315 7.627 1.00 1.62 O ATOM 0 H SER A 59 -11.039 -3.145 4.878 1.00 0.39 H new ATOM 0 HA SER A 59 -9.284 -4.244 6.968 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.675 -4.499 7.739 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.997 -5.425 6.287 1.00 0.65 H new ATOM 0 HG SER A 59 -11.442 -6.779 8.087 1.00 1.62 H new ATOM 884 N ILE A 60 -8.333 -5.476 5.021 1.00 0.46 N ATOM 885 CA ILE A 60 -7.727 -6.076 3.846 1.00 0.46 C ATOM 886 C ILE A 60 -7.615 -7.597 4.002 1.00 0.54 C ATOM 887 O ILE A 60 -6.850 -8.096 4.828 1.00 0.60 O ATOM 888 CB ILE A 60 -6.345 -5.447 3.575 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.504 -3.953 3.241 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.639 -6.171 2.438 1.00 0.46 C ATOM 891 CD1 ILE A 60 -5.200 -3.179 3.273 1.00 0.45 C ATOM 0 H ILE A 60 -7.687 -5.315 5.794 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.370 -5.877 2.989 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.735 -5.546 4.473 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.949 -3.857 2.251 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.200 -3.504 3.949 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.666 -5.712 2.263 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.503 -7.219 2.703 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.242 -6.101 1.532 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -5.391 -2.134 3.028 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.763 -3.244 4.269 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.508 -3.602 2.545 1.00 0.45 H new ATOM 903 N PRO A 61 -8.404 -8.349 3.209 1.00 0.59 N ATOM 904 CA PRO A 61 -8.451 -9.815 3.266 1.00 0.69 C ATOM 905 C PRO A 61 -7.240 -10.481 2.613 1.00 0.62 C ATOM 906 O PRO A 61 -6.676 -9.967 1.646 1.00 0.57 O ATOM 907 CB PRO A 61 -9.730 -10.169 2.490 1.00 0.81 C ATOM 908 CG PRO A 61 -10.412 -8.869 2.206 1.00 0.79 C ATOM 909 CD PRO A 61 -9.334 -7.827 2.206 1.00 0.62 C ATOM 0 HA PRO A 61 -8.443 -10.168 4.297 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.493 -10.695 1.565 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.372 -10.827 3.075 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.925 -8.900 1.245 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.166 -8.650 2.963 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.864 -7.726 1.228 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.717 -6.844 2.478 1.00 0.62 H new ATOM 917 N ASP A 62 -6.883 -11.649 3.134 1.00 0.76 N ATOM 918 CA ASP A 62 -5.700 -12.396 2.709 1.00 0.82 C ATOM 919 C ASP A 62 -5.750 -12.742 1.225 1.00 0.67 C ATOM 920 O ASP A 62 -4.819 -12.449 0.475 1.00 0.77 O ATOM 921 CB ASP A 62 -5.596 -13.699 3.507 1.00 1.11 C ATOM 922 CG ASP A 62 -5.863 -13.509 4.984 1.00 1.39 C ATOM 923 OD1 ASP A 62 -7.034 -13.265 5.348 1.00 1.99 O ATOM 924 OD2 ASP A 62 -4.916 -13.627 5.784 1.00 1.96 O ATOM 0 H ASP A 62 -7.412 -12.112 3.873 1.00 0.76 H new ATOM 0 HA ASP A 62 -4.833 -11.761 2.890 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -6.305 -14.423 3.105 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -4.600 -14.121 3.375 1.00 1.11 H new ATOM 929 N ASP A 63 -6.863 -13.335 0.804 1.00 0.66 N ATOM 930 CA ASP A 63 -6.969 -13.887 -0.547 1.00 0.71 C ATOM 931 C ASP A 63 -7.074 -12.783 -1.577 1.00 0.58 C ATOM 932 O ASP A 63 -6.661 -12.941 -2.722 1.00 0.62 O ATOM 933 CB ASP A 63 -8.192 -14.804 -0.673 1.00 0.96 C ATOM 934 CG ASP A 63 -8.075 -16.073 0.140 1.00 1.67 C ATOM 935 OD1 ASP A 63 -7.490 -17.059 -0.363 1.00 2.03 O ATOM 936 OD2 ASP A 63 -8.590 -16.105 1.276 1.00 2.44 O ATOM 0 H ASP A 63 -7.702 -13.447 1.374 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.064 -14.467 -0.730 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -9.081 -14.258 -0.356 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.335 -15.065 -1.722 1.00 0.96 H new ATOM 941 N VAL A 64 -7.643 -11.668 -1.176 1.00 0.57 N ATOM 942 CA VAL A 64 -7.764 -10.534 -2.071 1.00 0.58 C ATOM 943 C VAL A 64 -6.432 -9.792 -2.170 1.00 0.53 C ATOM 944 O VAL A 64 -6.019 -9.382 -3.254 1.00 0.59 O ATOM 945 CB VAL A 64 -8.877 -9.577 -1.606 1.00 0.73 C ATOM 946 CG1 VAL A 64 -9.070 -8.440 -2.596 1.00 1.10 C ATOM 947 CG2 VAL A 64 -10.174 -10.336 -1.413 1.00 1.14 C ATOM 0 H VAL A 64 -8.028 -11.520 -0.243 1.00 0.57 H new ATOM 0 HA VAL A 64 -8.033 -10.909 -3.058 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.576 -9.144 -0.652 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -9.862 -7.780 -2.242 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -8.142 -7.876 -2.688 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -9.345 -8.847 -3.569 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.953 -9.648 -1.084 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -10.470 -10.796 -2.356 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -10.033 -11.111 -0.660 1.00 1.14 H new ATOM 957 N ALA A 65 -5.759 -9.652 -1.036 1.00 0.52 N ATOM 958 CA ALA A 65 -4.511 -8.897 -0.961 1.00 0.58 C ATOM 959 C ALA A 65 -3.405 -9.563 -1.761 1.00 0.56 C ATOM 960 O ALA A 65 -2.695 -8.909 -2.529 1.00 0.68 O ATOM 961 CB ALA A 65 -4.077 -8.730 0.484 1.00 0.67 C ATOM 0 H ALA A 65 -6.058 -10.054 -0.148 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.696 -7.915 -1.395 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.145 -8.165 0.521 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.849 -8.194 1.036 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.925 -9.711 0.934 1.00 0.67 H new ATOM 967 N GLY A 66 -3.279 -10.869 -1.593 1.00 0.50 N ATOM 968 CA GLY A 66 -2.206 -11.613 -2.230 1.00 0.56 C ATOM 969 C GLY A 66 -2.451 -11.868 -3.708 1.00 0.58 C ATOM 970 O GLY A 66 -2.100 -12.930 -4.224 1.00 0.77 O ATOM 0 H GLY A 66 -3.906 -11.435 -1.021 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -1.272 -11.064 -2.112 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -2.081 -12.568 -1.719 1.00 0.56 H new ATOM 974 N ARG A 67 -3.039 -10.896 -4.388 1.00 0.55 N ATOM 975 CA ARG A 67 -3.278 -11.001 -5.819 1.00 0.63 C ATOM 976 C ARG A 67 -2.852 -9.718 -6.530 1.00 0.58 C ATOM 977 O ARG A 67 -3.068 -9.558 -7.731 1.00 0.78 O ATOM 978 CB ARG A 67 -4.752 -11.314 -6.105 1.00 0.77 C ATOM 979 CG ARG A 67 -5.152 -12.728 -5.711 1.00 0.93 C ATOM 980 CD ARG A 67 -6.573 -13.057 -6.133 1.00 1.10 C ATOM 981 NE ARG A 67 -7.575 -12.329 -5.361 1.00 1.82 N ATOM 982 CZ ARG A 67 -8.696 -11.845 -5.890 1.00 2.63 C ATOM 983 NH1 ARG A 67 -8.895 -11.915 -7.201 1.00 2.86 N ATOM 984 NH2 ARG A 67 -9.619 -11.288 -5.114 1.00 3.63 N ATOM 0 H ARG A 67 -3.360 -10.023 -3.970 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.676 -11.824 -6.205 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -5.379 -10.603 -5.567 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -4.948 -11.171 -7.168 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -4.464 -13.440 -6.168 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -5.059 -12.843 -4.631 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -6.696 -12.824 -7.191 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -6.742 -14.128 -6.021 1.00 1.10 H new ATOM 0 HE ARG A 67 -7.408 -12.184 -4.365 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -8.189 -12.340 -7.802 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -9.754 -11.544 -7.607 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -9.471 -11.229 -4.107 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -10.476 -10.919 -5.526 1.00 3.63 H new ATOM 998 N VAL A 68 -2.233 -8.812 -5.780 1.00 0.50 N ATOM 999 CA VAL A 68 -1.679 -7.595 -6.355 1.00 0.48 C ATOM 1000 C VAL A 68 -0.208 -7.808 -6.698 1.00 0.54 C ATOM 1001 O VAL A 68 0.334 -8.888 -6.469 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.810 -6.374 -5.412 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.272 -6.074 -5.119 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.039 -6.604 -4.118 1.00 0.89 C ATOM 0 H VAL A 68 -2.103 -8.899 -4.772 1.00 0.50 H new ATOM 0 HA VAL A 68 -2.255 -7.379 -7.255 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.378 -5.509 -5.916 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.341 -5.213 -4.455 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.793 -5.856 -6.051 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.732 -6.939 -4.641 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.146 -5.733 -3.471 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.435 -7.484 -3.610 1.00 0.89 H new ATOM 0 HG23 VAL A 68 0.015 -6.760 -4.346 1.00 0.89 H new ATOM 1014 N ASP A 69 0.432 -6.778 -7.233 1.00 0.38 N ATOM 1015 CA ASP A 69 1.845 -6.868 -7.586 1.00 0.43 C ATOM 1016 C ASP A 69 2.528 -5.528 -7.344 1.00 0.34 C ATOM 1017 O ASP A 69 3.510 -5.440 -6.605 1.00 0.41 O ATOM 1018 CB ASP A 69 2.003 -7.299 -9.049 1.00 0.65 C ATOM 1019 CG ASP A 69 3.413 -7.759 -9.380 1.00 0.97 C ATOM 1020 OD1 ASP A 69 3.781 -8.900 -9.036 1.00 1.75 O ATOM 1021 OD2 ASP A 69 4.177 -6.961 -9.964 1.00 1.65 O ATOM 0 H ASP A 69 0.001 -5.875 -7.432 1.00 0.38 H new ATOM 0 HA ASP A 69 2.320 -7.620 -6.956 1.00 0.43 H new ATOM 0 HB2 ASP A 69 1.303 -8.107 -9.262 1.00 0.65 H new ATOM 0 HB3 ASP A 69 1.736 -6.466 -9.699 1.00 0.65 H new ATOM 1026 N THR A 70 1.992 -4.486 -7.958 1.00 0.34 N ATOM 1027 CA THR A 70 2.505 -3.135 -7.772 1.00 0.31 C ATOM 1028 C THR A 70 1.536 -2.295 -6.944 1.00 0.28 C ATOM 1029 O THR A 70 0.353 -2.633 -6.829 1.00 0.28 O ATOM 1030 CB THR A 70 2.755 -2.456 -9.135 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.580 -2.553 -9.954 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.940 -3.095 -9.845 1.00 0.44 C ATOM 0 H THR A 70 1.197 -4.549 -8.594 1.00 0.34 H new ATOM 0 HA THR A 70 3.451 -3.207 -7.235 1.00 0.31 H new ATOM 0 HB THR A 70 2.984 -1.405 -8.961 1.00 0.39 H new ATOM 0 HG1 THR A 70 1.746 -2.118 -10.817 1.00 0.50 H new ATOM 0 HG21 THR A 70 4.099 -2.602 -10.804 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.833 -2.989 -9.230 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.737 -4.153 -10.011 1.00 0.44 H new ATOM 1040 N PRO A 71 2.028 -1.197 -6.333 1.00 0.29 N ATOM 1041 CA PRO A 71 1.192 -0.251 -5.581 1.00 0.29 C ATOM 1042 C PRO A 71 -0.016 0.228 -6.382 1.00 0.27 C ATOM 1043 O PRO A 71 -1.075 0.492 -5.817 1.00 0.28 O ATOM 1044 CB PRO A 71 2.142 0.912 -5.312 1.00 0.34 C ATOM 1045 CG PRO A 71 3.490 0.288 -5.267 1.00 0.38 C ATOM 1046 CD PRO A 71 3.455 -0.802 -6.301 1.00 0.35 C ATOM 0 HA PRO A 71 0.774 -0.703 -4.682 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.079 1.666 -6.097 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.904 1.410 -4.372 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.269 1.017 -5.490 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.704 -0.115 -4.277 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.795 -0.445 -7.273 1.00 0.35 H new ATOM 0 HD3 PRO A 71 4.098 -1.638 -6.026 1.00 0.35 H new ATOM 1054 N ARG A 72 0.165 0.344 -7.695 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.919 0.719 -8.602 1.00 0.37 C ATOM 1056 C ARG A 72 -2.129 -0.179 -8.392 1.00 0.35 C ATOM 1057 O ARG A 72 -3.241 0.295 -8.149 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.441 0.604 -10.048 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.489 0.979 -11.082 1.00 0.83 C ATOM 1060 CD ARG A 72 -0.951 0.795 -12.490 1.00 1.15 C ATOM 1061 NE ARG A 72 0.198 1.669 -12.742 1.00 1.76 N ATOM 1062 CZ ARG A 72 1.262 1.329 -13.467 1.00 2.72 C ATOM 1063 NH1 ARG A 72 1.311 0.160 -14.084 1.00 3.22 N ATOM 1064 NH2 ARG A 72 2.271 2.177 -13.595 1.00 3.56 N ATOM 0 H ARG A 72 1.059 0.182 -8.158 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.208 1.749 -8.392 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.431 1.244 -10.183 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.116 -0.420 -10.231 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -2.378 0.363 -10.945 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -1.794 2.015 -10.937 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -0.658 -0.245 -12.636 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -1.738 1.009 -13.213 1.00 1.15 H new ATOM 0 HE ARG A 72 0.182 2.603 -12.333 1.00 1.76 H new ATOM 0 HH11 ARG A 72 0.529 -0.491 -14.007 1.00 3.22 H new ATOM 0 HH12 ARG A 72 2.131 -0.091 -14.637 1.00 3.22 H new ATOM 0 HH21 ARG A 72 2.232 3.088 -13.139 1.00 3.56 H new ATOM 0 HH22 ARG A 72 3.087 1.919 -14.150 1.00 3.56 H new ATOM 1078 N GLU A 73 -1.889 -1.481 -8.467 1.00 0.36 N ATOM 1079 CA GLU A 73 -2.938 -2.480 -8.305 1.00 0.39 C ATOM 1080 C GLU A 73 -3.513 -2.425 -6.889 1.00 0.36 C ATOM 1081 O GLU A 73 -4.726 -2.470 -6.691 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.369 -3.878 -8.566 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.535 -3.995 -9.837 1.00 0.56 C ATOM 1084 CD GLU A 73 -2.332 -3.753 -11.099 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -3.216 -4.576 -11.418 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -2.096 -2.723 -11.760 1.00 2.43 O ATOM 0 H GLU A 73 -0.964 -1.874 -8.641 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.732 -2.267 -9.021 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.754 -4.171 -7.715 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.194 -4.588 -8.622 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -0.714 -3.280 -9.791 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.090 -4.989 -9.881 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.618 -2.317 -5.910 1.00 0.33 N ATOM 1094 CA LEU A 74 -2.993 -2.287 -4.498 1.00 0.34 C ATOM 1095 C LEU A 74 -3.900 -1.096 -4.206 1.00 0.33 C ATOM 1096 O LEU A 74 -4.936 -1.243 -3.558 1.00 0.36 O ATOM 1097 CB LEU A 74 -1.719 -2.229 -3.641 1.00 0.34 C ATOM 1098 CG LEU A 74 -1.872 -2.563 -2.148 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.494 -1.408 -1.378 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -2.700 -3.828 -1.969 1.00 0.98 C ATOM 0 H LEU A 74 -1.613 -2.248 -6.073 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.550 -3.191 -4.252 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -0.990 -2.916 -4.070 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.299 -1.226 -3.724 1.00 0.34 H new ATOM 0 HG LEU A 74 -0.875 -2.733 -1.742 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -2.587 -1.680 -0.327 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -1.860 -0.526 -1.470 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.481 -1.189 -1.785 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -2.799 -4.051 -0.907 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.689 -3.680 -2.402 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.206 -4.660 -2.470 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.509 0.072 -4.694 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.281 1.287 -4.489 1.00 0.33 C ATOM 1114 C LEU A 75 -5.695 1.133 -5.036 1.00 0.35 C ATOM 1115 O LEU A 75 -6.672 1.363 -4.325 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.582 2.478 -5.153 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.225 3.846 -4.895 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.253 4.156 -3.406 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.479 4.936 -5.651 1.00 0.91 C ATOM 0 H LEU A 75 -2.656 0.203 -5.238 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.349 1.470 -3.417 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.549 2.510 -4.807 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.553 2.306 -6.229 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.253 3.814 -5.257 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.713 5.131 -3.246 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -4.831 3.392 -2.886 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.235 4.167 -3.017 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -3.949 5.900 -5.457 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.441 4.964 -5.319 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.512 4.725 -6.720 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.790 0.710 -6.289 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.078 0.596 -6.970 1.00 0.44 C ATOM 1133 C ASP A 76 -7.963 -0.463 -6.316 1.00 0.40 C ATOM 1134 O ASP A 76 -9.181 -0.310 -6.252 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.868 0.258 -8.445 1.00 0.55 C ATOM 1136 CG ASP A 76 -8.141 0.396 -9.256 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.540 1.548 -9.542 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.742 -0.635 -9.616 1.00 1.43 O ATOM 0 H ASP A 76 -4.989 0.438 -6.859 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.583 1.558 -6.888 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.103 0.914 -8.860 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.494 -0.762 -8.532 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.339 -1.519 -5.804 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.068 -2.603 -5.151 1.00 0.38 C ATOM 1145 C LEU A 77 -8.822 -2.079 -3.933 1.00 0.34 C ATOM 1146 O LEU A 77 -9.988 -2.419 -3.710 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.092 -3.709 -4.730 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.727 -4.932 -4.059 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -8.620 -5.683 -5.034 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -6.647 -5.845 -3.503 1.00 1.66 C ATOM 0 H LEU A 77 -6.328 -1.648 -5.828 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.790 -3.014 -5.856 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.547 -4.043 -5.613 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.359 -3.281 -4.046 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.350 -4.588 -3.233 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.059 -6.547 -4.534 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -9.414 -5.023 -5.382 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.028 -6.019 -5.885 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.111 -6.710 -3.029 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.000 -6.179 -4.314 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.055 -5.302 -2.767 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.157 -1.233 -3.164 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.758 -0.651 -1.974 1.00 0.31 C ATOM 1164 C ILE A 78 -9.680 0.508 -2.354 1.00 0.34 C ATOM 1165 O ILE A 78 -10.724 0.714 -1.729 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.672 -0.181 -0.975 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -6.771 -1.361 -0.603 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.307 0.422 0.274 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.656 -1.018 0.360 1.00 0.40 C ATOM 0 H ILE A 78 -7.199 -0.933 -3.342 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.353 -1.421 -1.483 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.069 0.593 -1.450 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.385 -2.147 -0.163 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.334 -1.770 -1.514 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.524 0.745 0.961 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -8.919 1.279 -0.007 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -8.932 -0.326 0.762 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.068 -1.912 0.569 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.014 -0.256 -0.083 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.081 -0.639 1.289 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.301 1.253 -3.393 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.145 2.327 -3.916 1.00 0.44 C ATOM 1183 C ASN A 79 -11.503 1.783 -4.333 1.00 0.44 C ATOM 1184 O ASN A 79 -12.533 2.375 -4.026 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.491 3.015 -5.121 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.329 3.928 -4.767 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.416 4.116 -5.567 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.350 4.496 -3.570 1.00 0.78 N ATOM 0 H ASN A 79 -8.417 1.133 -3.888 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.271 3.058 -3.118 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.139 2.251 -5.814 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.248 3.597 -5.647 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.590 5.114 -3.285 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -9.126 4.315 -2.933 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.489 0.640 -5.020 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.712 0.028 -5.510 1.00 0.47 C ATOM 1197 C GLY A 80 -13.741 -0.210 -4.421 1.00 0.48 C ATOM 1198 O GLY A 80 -14.933 -0.016 -4.640 1.00 0.54 O ATOM 0 H GLY A 80 -10.640 0.123 -5.247 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.147 0.667 -6.278 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.470 -0.922 -5.985 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.281 -0.629 -3.249 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.174 -0.893 -2.125 1.00 0.56 C ATOM 1204 C ALA A 81 -14.670 0.406 -1.500 1.00 0.61 C ATOM 1205 O ALA A 81 -15.846 0.550 -1.179 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.466 -1.747 -1.085 1.00 0.60 C ATOM 0 H ALA A 81 -12.294 -0.794 -3.051 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.042 -1.437 -2.499 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.141 -1.938 -0.251 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.167 -2.694 -1.534 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.582 -1.222 -0.724 1.00 0.60 H new ATOM 1212 N LEU A 82 -13.765 1.356 -1.348 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.099 2.644 -0.760 1.00 0.64 C ATOM 1214 C LEU A 82 -15.016 3.448 -1.683 1.00 0.70 C ATOM 1215 O LEU A 82 -15.804 4.275 -1.224 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.813 3.425 -0.465 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.064 2.994 0.798 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -10.752 3.754 0.936 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -12.933 3.210 2.029 1.00 0.85 C ATOM 0 H LEU A 82 -12.788 1.260 -1.625 1.00 0.57 H new ATOM 0 HA LEU A 82 -14.636 2.473 0.173 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.142 3.324 -1.318 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.061 4.483 -0.378 1.00 0.64 H new ATOM 0 HG LEU A 82 -11.835 1.932 0.713 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.238 3.431 1.841 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.122 3.553 0.069 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -10.955 4.823 0.997 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.387 2.899 2.919 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.191 4.266 2.112 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.845 2.620 1.939 1.00 0.85 H new ATOM 1231 N ALA A 83 -14.906 3.198 -2.981 1.00 0.63 N ATOM 1232 CA ALA A 83 -15.726 3.881 -3.977 1.00 0.71 C ATOM 1233 C ALA A 83 -17.195 3.472 -3.889 1.00 0.85 C ATOM 1234 O ALA A 83 -18.072 4.159 -4.410 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.189 3.604 -5.371 1.00 0.70 C ATOM 0 H ALA A 83 -14.251 2.521 -3.373 1.00 0.63 H new ATOM 0 HA ALA A 83 -15.672 4.950 -3.770 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -15.807 4.117 -6.108 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.163 3.964 -5.444 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.211 2.531 -5.563 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.462 2.355 -3.224 1.00 0.89 N ATOM 1242 CA GLU A 84 -18.821 1.840 -3.109 1.00 1.11 C ATOM 1243 C GLU A 84 -19.611 2.594 -2.040 1.00 1.29 C ATOM 1244 O GLU A 84 -20.838 2.487 -1.980 1.00 1.58 O ATOM 1245 CB GLU A 84 -18.806 0.343 -2.785 1.00 1.25 C ATOM 1246 CG GLU A 84 -18.053 -0.500 -3.802 1.00 1.81 C ATOM 1247 CD GLU A 84 -18.148 -1.987 -3.522 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -17.691 -2.418 -2.445 1.00 2.67 O ATOM 1249 OE2 GLU A 84 -18.676 -2.731 -4.369 1.00 2.39 O ATOM 0 H GLU A 84 -16.755 1.788 -2.756 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.312 1.991 -4.070 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -18.356 0.198 -1.803 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -19.833 -0.015 -2.720 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -18.447 -0.297 -4.798 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -17.004 -0.203 -3.808 1.00 1.81 H new ATOM 1256 N ALA A 85 -18.906 3.366 -1.217 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.526 4.090 -0.113 1.00 1.57 C ATOM 1258 C ALA A 85 -20.496 5.152 -0.617 1.00 1.83 C ATOM 1259 O ALA A 85 -20.178 5.914 -1.531 1.00 2.45 O ATOM 1260 CB ALA A 85 -18.457 4.733 0.756 1.00 1.74 C ATOM 0 H ALA A 85 -17.899 3.506 -1.296 1.00 1.27 H new ATOM 0 HA ALA A 85 -20.092 3.372 0.481 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -18.931 5.271 1.577 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -17.802 3.960 1.158 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -17.871 5.429 0.156 1.00 1.74 H new ATOM 1266 N ALA A 86 -21.680 5.176 -0.022 1.00 2.09 N ATOM 1267 CA ALA A 86 -22.696 6.165 -0.333 1.00 2.63 C ATOM 1268 C ALA A 86 -23.552 6.440 0.899 1.00 3.28 C ATOM 1269 O ALA A 86 -23.541 7.582 1.398 1.00 3.73 O ATOM 1270 CB ALA A 86 -23.570 5.689 -1.484 1.00 3.12 C ATOM 1271 OXT ALA A 86 -24.211 5.492 1.382 1.00 3.82 O ATOM 0 H ALA A 86 -21.962 4.506 0.693 1.00 2.09 H new ATOM 0 HA ALA A 86 -22.202 7.088 -0.634 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -24.326 6.443 -1.703 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -22.952 5.527 -2.367 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -24.059 4.755 -1.207 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 7.549 -13.198 4.610 1.00 1.12 P HETATM 1279 O26 SXO A 87 8.444 -13.353 5.862 1.00 1.48 O HETATM 1280 O23 SXO A 87 8.026 -13.851 3.288 1.00 1.45 O HETATM 1281 O27 SXO A 87 6.125 -13.766 4.943 1.00 1.11 O HETATM 1282 C28 SXO A 87 5.405 -13.216 6.098 1.00 1.02 C HETATM 1283 C29 SXO A 87 4.057 -13.921 6.293 1.00 1.15 C HETATM 1284 C30 SXO A 87 3.255 -13.068 7.258 1.00 1.14 C HETATM 1285 C31 SXO A 87 3.324 -14.014 4.955 1.00 1.22 C HETATM 1286 C32 SXO A 87 4.274 -15.356 6.883 1.00 1.49 C HETATM 1287 O33 SXO A 87 5.268 -16.062 6.131 1.00 1.65 O HETATM 1288 C34 SXO A 87 2.984 -16.175 6.858 1.00 1.70 C HETATM 1289 O35 SXO A 87 2.920 -17.197 6.170 1.00 1.95 O HETATM 1290 N36 SXO A 87 1.979 -15.739 7.604 1.00 1.69 N HETATM 1291 C37 SXO A 87 0.685 -16.413 7.699 1.00 1.95 C HETATM 1292 C38 SXO A 87 -0.374 -15.776 6.811 1.00 1.97 C HETATM 1293 C39 SXO A 87 -0.167 -16.084 5.340 1.00 1.75 C HETATM 1294 O40 SXO A 87 0.267 -17.175 4.959 1.00 2.21 O HETATM 1295 N41 SXO A 87 -0.503 -15.104 4.516 1.00 1.79 N HETATM 1296 C42 SXO A 87 -0.387 -15.194 3.065 1.00 1.94 C HETATM 1297 C43 SXO A 87 -0.964 -13.976 2.372 1.00 1.99 C HETATM 1298 S1 SXO A 87 -0.212 -12.545 2.972 1.00 1.96 S HETATM 1299 C1 SXO A 87 -1.095 -11.400 2.009 1.00 1.93 C HETATM 1300 O1 SXO A 87 -1.665 -11.673 0.955 1.00 2.52 O HETATM 1301 C2 SXO A 87 -1.135 -10.006 2.585 1.00 2.08 C HETATM 1302 C3 SXO A 87 -0.730 -8.948 1.579 1.00 1.81 C HETATM 1303 C4 SXO A 87 -0.830 -7.562 2.184 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.530 -6.478 1.160 1.00 1.78 C HETATM 1305 C6 SXO A 87 -0.594 -5.093 1.783 1.00 1.64 C HETATM 1306 C7 SXO A 87 -0.257 -4.009 0.777 1.00 1.79 C HETATM 1307 C8 SXO A 87 -0.257 -2.658 1.453 1.00 1.84 C HETATM 0 HO33 SXO A 87 5.677 -15.455 5.479 1.00 1.65 H new HETATM 0 HN41 SXO A 87 -0.863 -14.238 4.918 1.00 1.79 H new HETATM 0 HN36 SXO A 87 2.116 -14.884 8.143 1.00 1.69 H new HETATM 0 H43A SXO A 87 -0.811 -14.053 1.296 1.00 1.99 H new HETATM 0 H42A SXO A 87 0.662 -15.303 2.791 1.00 1.94 H new HETATM 0 H38A SXO A 87 -1.359 -16.129 7.117 1.00 1.97 H new HETATM 0 H37A SXO A 87 0.804 -17.460 7.422 1.00 1.95 H new HETATM 0 H31B SXO A 87 3.153 -13.011 4.563 1.00 1.22 H new HETATM 0 H31A SXO A 87 3.929 -14.582 4.248 1.00 1.22 H new HETATM 0 H30B SXO A 87 3.791 -12.987 8.204 1.00 1.14 H new HETATM 0 H30A SXO A 87 3.115 -12.074 6.834 1.00 1.14 H new HETATM 0 H28A SXO A 87 6.012 -13.329 6.996 1.00 1.02 H new HETATM 0 H8B SXO A 87 -1.243 -2.462 1.874 1.00 1.84 H new HETATM 0 H8A SXO A 87 0.486 -2.650 2.250 1.00 1.84 H new HETATM 0 H8 SXO A 87 -0.014 -1.886 0.723 1.00 1.84 H new HETATM 0 H7A SXO A 87 0.720 -4.203 0.334 1.00 1.79 H new HETATM 0 H7 SXO A 87 -0.983 -4.018 -0.036 1.00 1.79 H new HETATM 0 H6A SXO A 87 -1.593 -4.920 2.183 1.00 1.64 H new HETATM 0 H6 SXO A 87 0.100 -5.039 2.622 1.00 1.64 H new HETATM 0 H5A SXO A 87 0.460 -6.642 0.734 1.00 1.78 H new HETATM 0 H5 SXO A 87 -1.245 -6.543 0.339 1.00 1.78 H new HETATM 0 H4A SXO A 87 -1.831 -7.413 2.589 1.00 1.94 H new HETATM 0 H43 SXO A 87 -2.040 -13.928 2.538 1.00 1.99 H new HETATM 0 H42 SXO A 87 -0.903 -16.088 2.715 1.00 1.94 H new HETATM 0 H4 SXO A 87 -0.133 -7.478 3.018 1.00 1.94 H new HETATM 0 H3A SXO A 87 0.291 -9.130 1.244 1.00 1.81 H new HETATM 0 H38 SXO A 87 -0.363 -14.696 6.957 1.00 1.97 H new HETATM 0 H37 SXO A 87 0.345 -16.394 8.734 1.00 1.95 H new HETATM 0 H32 SXO A 87 4.599 -15.229 7.916 1.00 1.49 H new HETATM 0 H31 SXO A 87 2.367 -14.516 5.099 1.00 1.22 H new HETATM 0 H30 SXO A 87 2.283 -13.530 7.430 1.00 1.14 H new HETATM 0 H3 SXO A 87 -1.370 -9.013 0.699 1.00 1.81 H new HETATM 0 H2A SXO A 87 -2.142 -9.794 2.944 1.00 2.08 H new HETATM 0 H28 SXO A 87 5.243 -12.148 5.955 1.00 1.02 H new HETATM 0 H2 SXO A 87 -0.471 -9.954 3.448 1.00 2.08 H new