USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (29 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 17 SER OG : rot -45:sc= 1.26 USER MOD Set 1.2: A 48 THR OG1 : rot 76:sc= 0.74 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.18 (180deg=-0.911) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.42 (180deg=-0.0177) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 115:sc= 1.13 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 19:sc= 0.596 USER MOD Single : A 24 THR OG1 : rot -93:sc= 0.282 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -135:sc= -0.232 USER MOD Single : A 46 MET CE :methyl -133:sc= -1.93 (180deg=-3.61!) USER MOD Single : A 54 SER OG : rot 79:sc= 0.216 USER MOD Single : A 56 TYR OH : rot -25:sc= 0.385 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -62:sc= -0.121 USER MOD Single : A 79 ASN : amide:sc= -5.48! C(o=-5.5!,f=-2.1!) USER MOD Single : A 87 SXD O33 : rot 30:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.658 10.489 -2.952 1.00 3.46 N ATOM 2 CA MET A 1 -19.287 9.088 -3.181 1.00 2.87 C ATOM 3 C MET A 1 -17.865 9.017 -3.696 1.00 2.37 C ATOM 4 O MET A 1 -17.591 8.366 -4.705 1.00 2.84 O ATOM 5 CB MET A 1 -20.233 8.391 -4.191 1.00 3.22 C ATOM 6 CG MET A 1 -21.711 8.401 -3.821 1.00 3.84 C ATOM 7 SD MET A 1 -22.464 10.035 -3.994 1.00 4.72 S ATOM 8 CE MET A 1 -22.298 10.287 -5.767 1.00 5.39 C ATOM 0 H1 MET A 1 -20.664 10.624 -3.181 1.00 3.46 H new ATOM 0 H2 MET A 1 -19.494 10.733 -1.954 1.00 3.46 H new ATOM 0 H3 MET A 1 -19.080 11.105 -3.558 1.00 3.46 H new ATOM 0 HA MET A 1 -19.373 8.566 -2.228 1.00 2.87 H new ATOM 0 HB2 MET A 1 -20.116 8.872 -5.162 1.00 3.22 H new ATOM 0 HB3 MET A 1 -19.913 7.356 -4.307 1.00 3.22 H new ATOM 0 HG2 MET A 1 -22.244 7.691 -4.453 1.00 3.84 H new ATOM 0 HG3 MET A 1 -21.826 8.060 -2.792 1.00 3.84 H new ATOM 0 HE1 MET A 1 -23.040 11.012 -6.103 1.00 5.39 H new ATOM 0 HE2 MET A 1 -21.299 10.661 -5.989 1.00 5.39 H new ATOM 0 HE3 MET A 1 -22.455 9.341 -6.285 1.00 5.39 H new ATOM 20 N ALA A 2 -16.960 9.692 -3.025 1.00 2.00 N ATOM 21 CA ALA A 2 -15.584 9.677 -3.417 1.00 1.85 C ATOM 22 C ALA A 2 -14.676 9.635 -2.201 1.00 1.39 C ATOM 23 O ALA A 2 -14.100 10.645 -1.792 1.00 1.40 O ATOM 24 CB ALA A 2 -15.251 10.855 -4.321 1.00 2.44 C ATOM 0 H ALA A 2 -17.161 10.259 -2.201 1.00 2.00 H new ATOM 0 HA ALA A 2 -15.410 8.769 -3.994 1.00 1.85 H new ATOM 0 HB1 ALA A 2 -14.198 10.813 -4.600 1.00 2.44 H new ATOM 0 HB2 ALA A 2 -15.867 10.810 -5.219 1.00 2.44 H new ATOM 0 HB3 ALA A 2 -15.449 11.787 -3.792 1.00 2.44 H new ATOM 30 N THR A 3 -14.616 8.498 -1.583 1.00 1.35 N ATOM 31 CA THR A 3 -13.735 8.285 -0.484 1.00 1.15 C ATOM 32 C THR A 3 -12.660 7.345 -0.975 1.00 1.02 C ATOM 33 O THR A 3 -12.902 6.160 -1.173 1.00 1.25 O ATOM 34 CB THR A 3 -14.512 7.634 0.667 1.00 1.52 C ATOM 35 OG1 THR A 3 -15.644 8.473 1.021 1.00 2.18 O ATOM 36 CG2 THR A 3 -13.622 7.423 1.889 1.00 1.91 C ATOM 0 H THR A 3 -15.182 7.687 -1.830 1.00 1.35 H new ATOM 0 HA THR A 3 -13.305 9.219 -0.124 1.00 1.15 H new ATOM 0 HB THR A 3 -14.863 6.657 0.335 1.00 1.52 H new ATOM 0 HG1 THR A 3 -16.142 8.057 1.755 1.00 2.18 H new ATOM 0 HG21 THR A 3 -14.203 6.960 2.687 1.00 1.91 H new ATOM 0 HG22 THR A 3 -12.788 6.774 1.624 1.00 1.91 H new ATOM 0 HG23 THR A 3 -13.239 8.385 2.230 1.00 1.91 H new ATOM 44 N LEU A 4 -11.497 7.887 -1.213 1.00 0.80 N ATOM 45 CA LEU A 4 -10.402 7.143 -1.782 1.00 0.74 C ATOM 46 C LEU A 4 -9.132 7.518 -1.055 1.00 0.68 C ATOM 47 O LEU A 4 -9.134 8.452 -0.255 1.00 0.89 O ATOM 48 CB LEU A 4 -10.268 7.481 -3.281 1.00 0.74 C ATOM 49 CG LEU A 4 -11.498 7.188 -4.161 1.00 0.89 C ATOM 50 CD1 LEU A 4 -11.289 7.712 -5.568 1.00 1.00 C ATOM 51 CD2 LEU A 4 -11.793 5.696 -4.205 1.00 1.10 C ATOM 0 H LEU A 4 -11.279 8.864 -1.017 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.584 6.073 -1.678 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.027 8.540 -3.372 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.420 6.925 -3.682 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.352 7.700 -3.717 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.170 7.494 -6.172 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.129 8.790 -5.535 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.417 7.229 -6.010 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -12.666 5.516 -4.833 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -10.934 5.167 -4.618 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -11.991 5.334 -3.196 1.00 1.10 H new ATOM 63 N LEU A 5 -8.066 6.811 -1.327 1.00 0.59 N ATOM 64 CA LEU A 5 -6.789 7.105 -0.705 1.00 0.61 C ATOM 65 C LEU A 5 -6.071 8.143 -1.510 1.00 0.53 C ATOM 66 O LEU A 5 -6.113 8.115 -2.749 1.00 0.53 O ATOM 67 CB LEU A 5 -5.891 5.872 -0.646 1.00 0.76 C ATOM 68 CG LEU A 5 -6.330 4.704 0.197 1.00 0.75 C ATOM 69 CD1 LEU A 5 -5.324 3.588 0.041 1.00 1.16 C ATOM 70 CD2 LEU A 5 -6.433 5.108 1.645 1.00 1.48 C ATOM 0 H LEU A 5 -8.051 6.024 -1.976 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.994 7.451 0.308 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -5.754 5.512 -1.666 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -4.913 6.191 -0.287 1.00 0.76 H new ATOM 0 HG LEU A 5 -7.313 4.367 -0.132 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -5.630 2.735 0.647 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.271 3.289 -1.006 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -4.344 3.933 0.369 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -6.751 4.252 2.240 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -5.461 5.453 1.997 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -7.162 5.912 1.747 1.00 1.48 H new ATOM 82 N THR A 6 -5.439 9.050 -0.846 1.00 0.60 N ATOM 83 CA THR A 6 -4.625 10.006 -1.511 1.00 0.62 C ATOM 84 C THR A 6 -3.177 9.481 -1.611 1.00 0.56 C ATOM 85 O THR A 6 -2.892 8.343 -1.177 1.00 0.55 O ATOM 86 CB THR A 6 -4.701 11.369 -0.810 1.00 0.80 C ATOM 87 OG1 THR A 6 -4.495 11.194 0.603 1.00 0.88 O ATOM 88 CG2 THR A 6 -6.056 12.025 -1.052 1.00 0.93 C ATOM 0 H THR A 6 -5.472 9.149 0.169 1.00 0.60 H new ATOM 0 HA THR A 6 -4.997 10.153 -2.525 1.00 0.62 H new ATOM 0 HB THR A 6 -3.925 12.016 -1.219 1.00 0.80 H new ATOM 0 HG1 THR A 6 -3.666 11.642 0.871 1.00 0.88 H new ATOM 0 HG21 THR A 6 -6.089 12.990 -0.546 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.204 12.171 -2.122 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.846 11.384 -0.661 1.00 0.93 H new ATOM 96 N THR A 7 -2.274 10.282 -2.115 1.00 0.59 N ATOM 97 CA THR A 7 -0.914 9.865 -2.298 1.00 0.58 C ATOM 98 C THR A 7 -0.185 9.830 -0.948 1.00 0.47 C ATOM 99 O THR A 7 0.490 8.852 -0.612 1.00 0.45 O ATOM 100 CB THR A 7 -0.227 10.846 -3.243 1.00 0.70 C ATOM 101 OG1 THR A 7 -1.032 10.988 -4.440 1.00 1.31 O ATOM 102 CG2 THR A 7 1.137 10.337 -3.615 1.00 1.10 C ATOM 0 H THR A 7 -2.464 11.240 -2.409 1.00 0.59 H new ATOM 0 HA THR A 7 -0.889 8.862 -2.725 1.00 0.58 H new ATOM 0 HB THR A 7 -0.120 11.811 -2.747 1.00 0.70 H new ATOM 0 HG1 THR A 7 -0.599 11.618 -5.053 1.00 1.31 H new ATOM 0 HG21 THR A 7 1.618 11.045 -4.290 1.00 1.10 H new ATOM 0 HG22 THR A 7 1.742 10.225 -2.715 1.00 1.10 H new ATOM 0 HG23 THR A 7 1.042 9.371 -4.111 1.00 1.10 H new ATOM 110 N ASP A 8 -0.376 10.877 -0.174 1.00 0.52 N ATOM 111 CA ASP A 8 0.242 11.036 1.140 1.00 0.54 C ATOM 112 C ASP A 8 -0.232 9.951 2.098 1.00 0.48 C ATOM 113 O ASP A 8 0.511 9.530 2.987 1.00 0.52 O ATOM 114 CB ASP A 8 -0.078 12.431 1.719 1.00 0.71 C ATOM 115 CG ASP A 8 -1.566 12.671 1.920 1.00 1.19 C ATOM 116 OD1 ASP A 8 -2.341 12.597 0.949 1.00 1.79 O ATOM 117 OD2 ASP A 8 -1.984 12.945 3.061 1.00 1.67 O ATOM 0 H ASP A 8 -0.974 11.660 -0.438 1.00 0.52 H new ATOM 0 HA ASP A 8 1.321 10.942 1.020 1.00 0.54 H new ATOM 0 HB2 ASP A 8 0.434 12.547 2.674 1.00 0.71 H new ATOM 0 HB3 ASP A 8 0.319 13.194 1.050 1.00 0.71 H new ATOM 122 N ASP A 9 -1.445 9.465 1.876 1.00 0.50 N ATOM 123 CA ASP A 9 -2.030 8.429 2.720 1.00 0.59 C ATOM 124 C ASP A 9 -1.311 7.112 2.441 1.00 0.52 C ATOM 125 O ASP A 9 -0.895 6.387 3.356 1.00 0.60 O ATOM 126 CB ASP A 9 -3.514 8.273 2.411 1.00 0.80 C ATOM 127 CG ASP A 9 -4.290 7.627 3.536 1.00 1.24 C ATOM 128 OD1 ASP A 9 -3.995 6.457 3.862 1.00 2.00 O ATOM 129 OD2 ASP A 9 -5.201 8.236 4.098 1.00 1.68 O ATOM 0 H ASP A 9 -2.048 9.773 1.113 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.919 8.706 3.768 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.940 9.254 2.200 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.630 7.674 1.507 1.00 0.80 H new ATOM 134 N LEU A 10 -1.117 6.838 1.163 1.00 0.46 N ATOM 135 CA LEU A 10 -0.402 5.655 0.725 1.00 0.48 C ATOM 136 C LEU A 10 1.046 5.716 1.219 1.00 0.45 C ATOM 137 O LEU A 10 1.608 4.704 1.645 1.00 0.51 O ATOM 138 CB LEU A 10 -0.432 5.557 -0.807 1.00 0.52 C ATOM 139 CG LEU A 10 0.230 4.318 -1.421 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.505 3.049 -1.017 1.00 1.07 C ATOM 141 CD2 LEU A 10 0.300 4.446 -2.933 1.00 1.19 C ATOM 0 H LEU A 10 -1.451 7.429 0.402 1.00 0.46 H new ATOM 0 HA LEU A 10 -0.885 4.771 1.141 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.472 5.585 -1.131 1.00 0.52 H new ATOM 0 HB3 LEU A 10 0.054 6.443 -1.216 1.00 0.52 H new ATOM 0 HG LEU A 10 1.247 4.250 -1.035 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.014 2.186 -1.466 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.491 2.950 0.068 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.537 3.101 -1.363 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.773 3.558 -3.352 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -0.708 4.545 -3.337 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.885 5.327 -3.197 1.00 1.19 H new ATOM 153 N ARG A 11 1.621 6.926 1.187 1.00 0.42 N ATOM 154 CA ARG A 11 2.989 7.165 1.642 1.00 0.47 C ATOM 155 C ARG A 11 3.157 6.706 3.086 1.00 0.47 C ATOM 156 O ARG A 11 3.990 5.846 3.365 1.00 0.53 O ATOM 157 CB ARG A 11 3.357 8.646 1.536 1.00 0.56 C ATOM 158 CG ARG A 11 4.821 8.936 1.839 1.00 0.83 C ATOM 159 CD ARG A 11 5.101 10.425 1.872 1.00 0.87 C ATOM 160 NE ARG A 11 4.477 11.078 3.033 1.00 0.97 N ATOM 161 CZ ARG A 11 3.948 12.318 3.030 1.00 1.40 C ATOM 162 NH1 ARG A 11 3.777 12.984 1.886 1.00 1.87 N ATOM 163 NH2 ARG A 11 3.549 12.864 4.168 1.00 1.87 N ATOM 0 H ARG A 11 1.148 7.762 0.845 1.00 0.42 H new ATOM 0 HA ARG A 11 3.655 6.592 0.997 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.127 8.997 0.530 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.733 9.217 2.224 1.00 0.56 H new ATOM 0 HG2 ARG A 11 5.089 8.494 2.799 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.450 8.464 1.084 1.00 0.83 H new ATOM 0 HD2 ARG A 11 6.178 10.591 1.898 1.00 0.87 H new ATOM 0 HD3 ARG A 11 4.730 10.884 0.955 1.00 0.87 H new ATOM 0 HE ARG A 11 4.442 10.553 3.907 1.00 0.97 H new ATOM 0 HH11 ARG A 11 4.048 12.555 1.001 1.00 1.87 H new ATOM 0 HH12 ARG A 11 3.376 13.922 1.897 1.00 1.87 H new ATOM 0 HH21 ARG A 11 3.642 12.347 5.042 1.00 1.87 H new ATOM 0 HH22 ARG A 11 3.148 13.802 4.171 1.00 1.87 H new ATOM 177 N ARG A 12 2.330 7.261 4.000 1.00 0.46 N ATOM 178 CA ARG A 12 2.395 6.877 5.424 1.00 0.52 C ATOM 179 C ARG A 12 2.265 5.389 5.632 1.00 0.55 C ATOM 180 O ARG A 12 3.024 4.818 6.407 1.00 0.65 O ATOM 181 CB ARG A 12 1.416 7.656 6.350 1.00 0.53 C ATOM 182 CG ARG A 12 0.104 8.056 5.713 1.00 1.03 C ATOM 183 CD ARG A 12 -0.871 8.660 6.711 1.00 1.16 C ATOM 184 NE ARG A 12 -1.549 7.631 7.521 1.00 1.72 N ATOM 185 CZ ARG A 12 -1.999 7.806 8.773 1.00 2.32 C ATOM 186 NH1 ARG A 12 -1.608 8.842 9.492 1.00 2.40 N ATOM 187 NH2 ARG A 12 -2.774 6.894 9.333 1.00 3.33 N ATOM 0 H ARG A 12 1.623 7.963 3.781 1.00 0.46 H new ATOM 0 HA ARG A 12 3.398 7.176 5.730 1.00 0.52 H new ATOM 0 HB2 ARG A 12 1.204 7.042 7.225 1.00 0.53 H new ATOM 0 HB3 ARG A 12 1.917 8.556 6.706 1.00 0.53 H new ATOM 0 HG2 ARG A 12 0.295 8.776 4.917 1.00 1.03 H new ATOM 0 HG3 ARG A 12 -0.352 7.181 5.249 1.00 1.03 H new ATOM 0 HD2 ARG A 12 -0.336 9.344 7.370 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -1.617 9.249 6.177 1.00 1.16 H new ATOM 0 HE ARG A 12 -1.687 6.714 7.096 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -0.957 9.520 9.097 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -1.957 8.964 10.443 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -3.031 6.055 8.813 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -3.115 7.029 10.285 1.00 3.33 H new ATOM 201 N ALA A 13 1.369 4.763 4.893 1.00 0.52 N ATOM 202 CA ALA A 13 1.131 3.337 5.029 1.00 0.58 C ATOM 203 C ALA A 13 2.365 2.527 4.614 1.00 0.59 C ATOM 204 O ALA A 13 2.838 1.680 5.371 1.00 0.67 O ATOM 205 CB ALA A 13 -0.085 2.928 4.218 1.00 0.62 C ATOM 0 H ALA A 13 0.791 5.221 4.189 1.00 0.52 H new ATOM 0 HA ALA A 13 0.935 3.122 6.079 1.00 0.58 H new ATOM 0 HB1 ALA A 13 -0.252 1.857 4.329 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.960 3.471 4.575 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.083 3.162 3.167 1.00 0.62 H new ATOM 211 N LEU A 14 2.901 2.829 3.435 1.00 0.56 N ATOM 212 CA LEU A 14 4.067 2.122 2.906 1.00 0.63 C ATOM 213 C LEU A 14 5.294 2.313 3.789 1.00 0.73 C ATOM 214 O LEU A 14 6.034 1.345 4.061 1.00 0.95 O ATOM 215 CB LEU A 14 4.382 2.570 1.473 1.00 0.64 C ATOM 216 CG LEU A 14 3.357 2.203 0.398 1.00 0.72 C ATOM 217 CD1 LEU A 14 3.777 2.776 -0.938 1.00 1.05 C ATOM 218 CD2 LEU A 14 3.214 0.692 0.293 1.00 1.24 C ATOM 0 H LEU A 14 2.545 3.563 2.823 1.00 0.56 H new ATOM 0 HA LEU A 14 3.816 1.061 2.898 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.502 3.653 1.474 1.00 0.64 H new ATOM 0 HB3 LEU A 14 5.343 2.143 1.187 1.00 0.64 H new ATOM 0 HG LEU A 14 2.393 2.626 0.680 1.00 0.72 H new ATOM 0 HD11 LEU A 14 3.041 2.509 -1.696 1.00 1.05 H new ATOM 0 HD12 LEU A 14 3.844 3.861 -0.864 1.00 1.05 H new ATOM 0 HD13 LEU A 14 4.749 2.371 -1.218 1.00 1.05 H new ATOM 0 HD21 LEU A 14 2.481 0.448 -0.476 1.00 1.24 H new ATOM 0 HD22 LEU A 14 4.176 0.253 0.029 1.00 1.24 H new ATOM 0 HD23 LEU A 14 2.882 0.291 1.250 1.00 1.24 H new ATOM 230 N VAL A 15 5.515 3.544 4.229 1.00 0.69 N ATOM 231 CA VAL A 15 6.653 3.874 5.081 1.00 0.80 C ATOM 232 C VAL A 15 6.619 3.063 6.375 1.00 0.85 C ATOM 233 O VAL A 15 7.586 2.385 6.691 1.00 1.00 O ATOM 234 CB VAL A 15 6.724 5.400 5.391 1.00 0.85 C ATOM 235 CG1 VAL A 15 7.837 5.709 6.383 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.961 6.185 4.113 1.00 0.93 C ATOM 0 H VAL A 15 4.915 4.339 4.008 1.00 0.69 H new ATOM 0 HA VAL A 15 7.555 3.609 4.530 1.00 0.80 H new ATOM 0 HB VAL A 15 5.771 5.693 5.831 1.00 0.85 H new ATOM 0 HG11 VAL A 15 7.862 6.781 6.580 1.00 0.98 H new ATOM 0 HG12 VAL A 15 7.653 5.173 7.314 1.00 0.98 H new ATOM 0 HG13 VAL A 15 8.794 5.394 5.966 1.00 0.98 H new ATOM 0 HG21 VAL A 15 7.009 7.249 4.343 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.901 5.869 3.661 1.00 0.93 H new ATOM 0 HG23 VAL A 15 6.144 6.001 3.416 1.00 0.93 H new ATOM 246 N GLU A 16 5.491 3.099 7.088 1.00 0.83 N ATOM 247 CA GLU A 16 5.352 2.394 8.372 1.00 0.98 C ATOM 248 C GLU A 16 5.679 0.909 8.250 1.00 1.01 C ATOM 249 O GLU A 16 6.359 0.339 9.106 1.00 1.21 O ATOM 250 CB GLU A 16 3.935 2.514 8.914 1.00 1.12 C ATOM 251 CG GLU A 16 3.483 3.911 9.270 1.00 1.25 C ATOM 252 CD GLU A 16 4.335 4.575 10.315 1.00 1.62 C ATOM 253 OE1 GLU A 16 4.756 3.867 11.265 1.00 1.93 O ATOM 254 OE2 GLU A 16 4.609 5.788 10.208 1.00 2.18 O ATOM 0 H GLU A 16 4.656 3.609 6.800 1.00 0.83 H new ATOM 0 HA GLU A 16 6.061 2.867 9.051 1.00 0.98 H new ATOM 0 HB2 GLU A 16 3.247 2.108 8.172 1.00 1.12 H new ATOM 0 HB3 GLU A 16 3.852 1.888 9.803 1.00 1.12 H new ATOM 0 HG2 GLU A 16 3.485 4.524 8.369 1.00 1.25 H new ATOM 0 HG3 GLU A 16 2.453 3.870 9.626 1.00 1.25 H new ATOM 261 N SER A 17 5.196 0.292 7.200 1.00 0.92 N ATOM 262 CA SER A 17 5.366 -1.126 7.000 1.00 1.03 C ATOM 263 C SER A 17 6.806 -1.508 6.627 1.00 1.14 C ATOM 264 O SER A 17 7.275 -2.585 6.987 1.00 1.40 O ATOM 265 CB SER A 17 4.403 -1.582 5.943 1.00 0.97 C ATOM 266 OG SER A 17 3.081 -1.174 6.276 1.00 1.65 O ATOM 0 H SER A 17 4.673 0.759 6.459 1.00 0.92 H new ATOM 0 HA SER A 17 5.158 -1.629 7.944 1.00 1.03 H new ATOM 0 HB2 SER A 17 4.688 -1.166 4.977 1.00 0.97 H new ATOM 0 HB3 SER A 17 4.444 -2.667 5.847 1.00 0.97 H new ATOM 0 HG SER A 17 2.912 -1.355 7.224 1.00 1.65 H new ATOM 272 N ALA A 18 7.497 -0.639 5.920 1.00 1.07 N ATOM 273 CA ALA A 18 8.875 -0.925 5.533 1.00 1.24 C ATOM 274 C ALA A 18 9.818 -0.568 6.664 1.00 1.33 C ATOM 275 O ALA A 18 10.813 -1.258 6.916 1.00 1.59 O ATOM 276 CB ALA A 18 9.249 -0.153 4.280 1.00 1.29 C ATOM 0 H ALA A 18 7.139 0.262 5.602 1.00 1.07 H new ATOM 0 HA ALA A 18 8.961 -1.991 5.322 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.280 -0.379 4.007 1.00 1.29 H new ATOM 0 HB2 ALA A 18 8.586 -0.441 3.464 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.150 0.916 4.468 1.00 1.29 H new ATOM 282 N GLY A 19 9.483 0.487 7.337 1.00 1.34 N ATOM 283 CA GLY A 19 10.267 0.998 8.404 1.00 1.54 C ATOM 284 C GLY A 19 10.258 2.482 8.322 1.00 1.61 C ATOM 285 O GLY A 19 10.579 3.055 7.276 1.00 2.24 O ATOM 0 H GLY A 19 8.637 1.025 7.152 1.00 1.34 H new ATOM 0 HA2 GLY A 19 9.865 0.668 9.362 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.288 0.621 8.340 1.00 1.54 H new ATOM 289 N GLU A 20 9.861 3.117 9.371 1.00 1.53 N ATOM 290 CA GLU A 20 9.757 4.534 9.358 1.00 1.66 C ATOM 291 C GLU A 20 11.156 5.103 9.555 1.00 1.69 C ATOM 292 O GLU A 20 11.789 4.884 10.602 1.00 2.04 O ATOM 293 CB GLU A 20 8.759 4.986 10.433 1.00 2.11 C ATOM 294 CG GLU A 20 8.166 6.376 10.235 1.00 2.61 C ATOM 295 CD GLU A 20 9.175 7.482 10.307 1.00 3.24 C ATOM 296 OE1 GLU A 20 9.532 7.886 11.410 1.00 3.36 O ATOM 297 OE2 GLU A 20 9.641 7.951 9.257 1.00 3.97 O ATOM 0 H GLU A 20 9.602 2.674 10.252 1.00 1.53 H new ATOM 0 HA GLU A 20 9.371 4.906 8.409 1.00 1.66 H new ATOM 0 HB2 GLU A 20 7.943 4.264 10.473 1.00 2.11 H new ATOM 0 HB3 GLU A 20 9.258 4.957 11.402 1.00 2.11 H new ATOM 0 HG2 GLU A 20 7.669 6.414 9.266 1.00 2.61 H new ATOM 0 HG3 GLU A 20 7.401 6.545 10.993 1.00 2.61 H new ATOM 304 N THR A 21 11.634 5.796 8.529 1.00 1.88 N ATOM 305 CA THR A 21 12.982 6.336 8.467 1.00 2.20 C ATOM 306 C THR A 21 13.985 5.165 8.275 1.00 2.10 C ATOM 307 O THR A 21 15.041 5.088 8.891 1.00 2.75 O ATOM 308 CB THR A 21 13.327 7.224 9.715 1.00 2.92 C ATOM 309 OG1 THR A 21 12.267 8.188 9.925 1.00 3.25 O ATOM 310 CG2 THR A 21 14.627 8.002 9.500 1.00 3.47 C ATOM 0 H THR A 21 11.080 6.002 7.698 1.00 1.88 H new ATOM 0 HA THR A 21 13.057 7.007 7.611 1.00 2.20 H new ATOM 0 HB THR A 21 13.438 6.562 10.574 1.00 2.92 H new ATOM 0 HG1 THR A 21 11.459 7.893 9.455 1.00 3.25 H new ATOM 0 HG21 THR A 21 14.839 8.607 10.381 1.00 3.47 H new ATOM 0 HG22 THR A 21 15.447 7.303 9.335 1.00 3.47 H new ATOM 0 HG23 THR A 21 14.523 8.651 8.631 1.00 3.47 H new ATOM 318 N ASP A 22 13.616 4.271 7.384 1.00 1.66 N ATOM 319 CA ASP A 22 14.433 3.116 7.011 1.00 1.92 C ATOM 320 C ASP A 22 15.374 3.508 5.894 1.00 2.00 C ATOM 321 O ASP A 22 16.527 3.053 5.826 1.00 2.52 O ATOM 322 CB ASP A 22 13.520 1.962 6.559 1.00 2.44 C ATOM 323 CG ASP A 22 14.236 0.857 5.806 1.00 3.14 C ATOM 324 OD1 ASP A 22 14.891 0.010 6.464 1.00 3.81 O ATOM 325 OD2 ASP A 22 14.183 0.826 4.559 1.00 3.47 O ATOM 0 H ASP A 22 12.728 4.319 6.885 1.00 1.66 H new ATOM 0 HA ASP A 22 15.018 2.786 7.870 1.00 1.92 H new ATOM 0 HB2 ASP A 22 13.035 1.533 7.436 1.00 2.44 H new ATOM 0 HB3 ASP A 22 12.731 2.366 5.924 1.00 2.44 H new ATOM 330 N GLY A 23 14.895 4.400 5.061 1.00 1.96 N ATOM 331 CA GLY A 23 15.645 4.845 3.910 1.00 2.29 C ATOM 332 C GLY A 23 14.804 4.729 2.685 1.00 1.79 C ATOM 333 O GLY A 23 15.157 5.217 1.606 1.00 2.14 O ATOM 0 H GLY A 23 13.979 4.837 5.160 1.00 1.96 H new ATOM 0 HA2 GLY A 23 15.962 5.879 4.048 1.00 2.29 H new ATOM 0 HA3 GLY A 23 16.549 4.246 3.800 1.00 2.29 H new ATOM 337 N THR A 24 13.696 4.082 2.859 1.00 1.42 N ATOM 338 CA THR A 24 12.703 3.911 1.861 1.00 1.57 C ATOM 339 C THR A 24 11.882 5.194 1.734 1.00 1.79 C ATOM 340 O THR A 24 10.950 5.447 2.506 1.00 2.50 O ATOM 341 CB THR A 24 11.830 2.724 2.274 1.00 2.00 C ATOM 342 OG1 THR A 24 11.929 2.562 3.716 1.00 2.76 O ATOM 343 CG2 THR A 24 12.297 1.458 1.586 1.00 2.01 C ATOM 0 H THR A 24 13.453 3.640 3.745 1.00 1.42 H new ATOM 0 HA THR A 24 13.149 3.709 0.887 1.00 1.57 H new ATOM 0 HB THR A 24 10.797 2.911 1.982 1.00 2.00 H new ATOM 0 HG1 THR A 24 12.637 1.918 3.925 1.00 2.76 H new ATOM 0 HG21 THR A 24 11.665 0.624 1.891 1.00 2.01 H new ATOM 0 HG22 THR A 24 12.232 1.586 0.505 1.00 2.01 H new ATOM 0 HG23 THR A 24 13.330 1.252 1.866 1.00 2.01 H new ATOM 351 N ASP A 25 12.324 6.053 0.857 1.00 1.60 N ATOM 352 CA ASP A 25 11.668 7.312 0.640 1.00 1.91 C ATOM 353 C ASP A 25 10.528 7.137 -0.339 1.00 1.36 C ATOM 354 O ASP A 25 10.662 6.457 -1.368 1.00 1.34 O ATOM 355 CB ASP A 25 12.647 8.392 0.136 1.00 2.62 C ATOM 356 CG ASP A 25 13.146 8.168 -1.276 1.00 3.27 C ATOM 357 OD1 ASP A 25 14.071 7.353 -1.464 1.00 3.79 O ATOM 358 OD2 ASP A 25 12.605 8.784 -2.230 1.00 3.69 O ATOM 0 H ASP A 25 13.147 5.900 0.274 1.00 1.60 H new ATOM 0 HA ASP A 25 11.275 7.652 1.598 1.00 1.91 H new ATOM 0 HB2 ASP A 25 12.155 9.364 0.186 1.00 2.62 H new ATOM 0 HB3 ASP A 25 13.503 8.433 0.810 1.00 2.62 H new ATOM 363 N LEU A 26 9.408 7.692 0.005 1.00 1.18 N ATOM 364 CA LEU A 26 8.228 7.670 -0.823 1.00 0.83 C ATOM 365 C LEU A 26 7.755 9.102 -1.004 1.00 0.82 C ATOM 366 O LEU A 26 6.569 9.386 -1.059 1.00 0.85 O ATOM 367 CB LEU A 26 7.101 6.798 -0.200 1.00 1.19 C ATOM 368 CG LEU A 26 7.303 5.260 -0.143 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.675 4.681 -1.502 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.286 4.830 0.937 1.00 0.87 C ATOM 0 H LEU A 26 9.279 8.186 0.888 1.00 1.18 H new ATOM 0 HA LEU A 26 8.473 7.223 -1.786 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.935 7.149 0.819 1.00 1.19 H new ATOM 0 HB3 LEU A 26 6.185 6.992 -0.758 1.00 1.19 H new ATOM 0 HG LEU A 26 6.336 4.842 0.136 1.00 0.80 H new ATOM 0 HD11 LEU A 26 7.806 3.603 -1.414 1.00 0.94 H new ATOM 0 HD12 LEU A 26 6.880 4.893 -2.218 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.605 5.133 -1.848 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.385 3.745 0.927 1.00 0.87 H new ATOM 0 HD22 LEU A 26 9.258 5.285 0.746 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.920 5.152 1.912 1.00 0.87 H new ATOM 382 N SER A 27 8.706 10.000 -1.099 1.00 0.91 N ATOM 383 CA SER A 27 8.407 11.384 -1.295 1.00 0.99 C ATOM 384 C SER A 27 8.424 11.720 -2.789 1.00 1.04 C ATOM 385 O SER A 27 9.341 11.330 -3.522 1.00 1.44 O ATOM 386 CB SER A 27 9.389 12.231 -0.524 1.00 1.16 C ATOM 387 OG SER A 27 9.360 11.894 0.871 1.00 1.55 O ATOM 0 H SER A 27 9.702 9.786 -1.042 1.00 0.91 H new ATOM 0 HA SER A 27 7.407 11.599 -0.919 1.00 0.99 H new ATOM 0 HB2 SER A 27 10.394 12.083 -0.919 1.00 1.16 H new ATOM 0 HB3 SER A 27 9.148 13.286 -0.654 1.00 1.16 H new ATOM 0 HG SER A 27 10.004 12.451 1.356 1.00 1.55 H new ATOM 393 N GLY A 28 7.415 12.418 -3.235 1.00 1.36 N ATOM 394 CA GLY A 28 7.291 12.744 -4.626 1.00 1.53 C ATOM 395 C GLY A 28 6.273 11.854 -5.260 1.00 1.44 C ATOM 396 O GLY A 28 5.258 11.535 -4.635 1.00 2.11 O ATOM 0 H GLY A 28 6.661 12.774 -2.647 1.00 1.36 H new ATOM 0 HA2 GLY A 28 6.998 13.788 -4.741 1.00 1.53 H new ATOM 0 HA3 GLY A 28 8.253 12.626 -5.125 1.00 1.53 H new ATOM 400 N ASP A 29 6.513 11.460 -6.472 1.00 1.11 N ATOM 401 CA ASP A 29 5.652 10.517 -7.145 1.00 1.05 C ATOM 402 C ASP A 29 6.281 9.159 -7.076 1.00 0.88 C ATOM 403 O ASP A 29 7.392 8.955 -7.562 1.00 1.07 O ATOM 404 CB ASP A 29 5.376 10.901 -8.596 1.00 1.32 C ATOM 405 CG ASP A 29 4.580 9.826 -9.310 1.00 1.67 C ATOM 406 OD1 ASP A 29 3.541 9.389 -8.780 1.00 2.27 O ATOM 407 OD2 ASP A 29 4.970 9.409 -10.407 1.00 2.12 O ATOM 0 H ASP A 29 7.307 11.778 -7.028 1.00 1.11 H new ATOM 0 HA ASP A 29 4.687 10.519 -6.638 1.00 1.05 H new ATOM 0 HB2 ASP A 29 4.828 11.843 -8.627 1.00 1.32 H new ATOM 0 HB3 ASP A 29 6.320 11.064 -9.117 1.00 1.32 H new ATOM 412 N PHE A 30 5.596 8.244 -6.470 1.00 0.67 N ATOM 413 CA PHE A 30 6.146 6.934 -6.238 1.00 0.55 C ATOM 414 C PHE A 30 5.214 5.836 -6.719 1.00 0.42 C ATOM 415 O PHE A 30 5.403 4.669 -6.397 1.00 0.41 O ATOM 416 CB PHE A 30 6.464 6.771 -4.734 1.00 0.56 C ATOM 417 CG PHE A 30 5.282 6.938 -3.807 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.870 8.197 -3.404 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.574 5.837 -3.355 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.785 8.349 -2.568 1.00 0.74 C ATOM 421 CE2 PHE A 30 3.489 5.988 -2.521 1.00 0.60 C ATOM 422 CZ PHE A 30 3.129 7.248 -2.083 1.00 0.69 C ATOM 0 H PHE A 30 4.646 8.375 -6.122 1.00 0.67 H new ATOM 0 HA PHE A 30 7.066 6.839 -6.814 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.894 5.782 -4.575 1.00 0.56 H new ATOM 0 HB3 PHE A 30 7.227 7.499 -4.459 1.00 0.56 H new ATOM 0 HD1 PHE A 30 5.405 9.070 -3.749 1.00 0.68 H new ATOM 0 HD2 PHE A 30 4.877 4.847 -3.661 1.00 0.52 H new ATOM 0 HE1 PHE A 30 3.451 9.339 -2.294 1.00 0.74 H new ATOM 0 HE2 PHE A 30 2.921 5.124 -2.210 1.00 0.60 H new ATOM 0 HZ PHE A 30 2.334 7.365 -1.361 1.00 0.69 H new ATOM 432 N LEU A 31 4.243 6.194 -7.536 1.00 0.39 N ATOM 433 CA LEU A 31 3.240 5.226 -7.982 1.00 0.35 C ATOM 434 C LEU A 31 3.823 4.111 -8.837 1.00 0.38 C ATOM 435 O LEU A 31 3.429 2.955 -8.710 1.00 0.50 O ATOM 436 CB LEU A 31 2.092 5.898 -8.731 1.00 0.39 C ATOM 437 CG LEU A 31 1.218 6.845 -7.923 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.081 7.363 -8.782 1.00 1.17 C ATOM 439 CD2 LEU A 31 0.680 6.153 -6.677 1.00 1.45 C ATOM 0 H LEU A 31 4.121 7.137 -7.906 1.00 0.39 H new ATOM 0 HA LEU A 31 2.853 4.775 -7.068 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.511 6.453 -9.571 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.455 5.119 -9.149 1.00 0.39 H new ATOM 0 HG LEU A 31 1.826 7.691 -7.601 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.539 8.040 -8.195 1.00 1.17 H new ATOM 0 HD12 LEU A 31 0.488 7.896 -9.641 1.00 1.17 H new ATOM 0 HD13 LEU A 31 -0.524 6.525 -9.128 1.00 1.17 H new ATOM 0 HD21 LEU A 31 0.058 6.849 -6.114 1.00 1.45 H new ATOM 0 HD22 LEU A 31 0.084 5.288 -6.970 1.00 1.45 H new ATOM 0 HD23 LEU A 31 1.513 5.826 -6.054 1.00 1.45 H new ATOM 451 N ASP A 32 4.776 4.441 -9.660 1.00 0.44 N ATOM 452 CA ASP A 32 5.323 3.484 -10.613 1.00 0.57 C ATOM 453 C ASP A 32 6.634 2.893 -10.136 1.00 0.48 C ATOM 454 O ASP A 32 7.471 2.500 -10.940 1.00 0.54 O ATOM 455 CB ASP A 32 5.493 4.133 -11.995 1.00 0.84 C ATOM 456 CG ASP A 32 4.182 4.580 -12.599 1.00 1.69 C ATOM 457 OD1 ASP A 32 3.754 5.717 -12.326 1.00 2.24 O ATOM 458 OD2 ASP A 32 3.564 3.798 -13.380 1.00 2.45 O ATOM 0 H ASP A 32 5.201 5.368 -9.700 1.00 0.44 H new ATOM 0 HA ASP A 32 4.609 2.665 -10.695 1.00 0.57 H new ATOM 0 HB2 ASP A 32 6.159 4.992 -11.908 1.00 0.84 H new ATOM 0 HB3 ASP A 32 5.974 3.423 -12.668 1.00 0.84 H new ATOM 463 N LEU A 33 6.813 2.824 -8.837 1.00 0.43 N ATOM 464 CA LEU A 33 7.980 2.152 -8.277 1.00 0.40 C ATOM 465 C LEU A 33 7.695 0.664 -8.238 1.00 0.33 C ATOM 466 O LEU A 33 6.571 0.259 -8.436 1.00 0.36 O ATOM 467 CB LEU A 33 8.260 2.627 -6.856 1.00 0.44 C ATOM 468 CG LEU A 33 8.599 4.104 -6.669 1.00 0.57 C ATOM 469 CD1 LEU A 33 8.979 4.369 -5.224 1.00 0.67 C ATOM 470 CD2 LEU A 33 9.717 4.539 -7.603 1.00 0.71 C ATOM 0 H LEU A 33 6.175 3.219 -8.146 1.00 0.43 H new ATOM 0 HA LEU A 33 8.848 2.378 -8.896 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.386 2.401 -6.246 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.087 2.038 -6.459 1.00 0.44 H new ATOM 0 HG LEU A 33 7.715 4.690 -6.918 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.219 5.425 -5.099 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.144 4.107 -4.574 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.847 3.765 -4.960 1.00 0.67 H new ATOM 0 HD21 LEU A 33 9.934 5.595 -7.444 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.611 3.951 -7.399 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.409 4.383 -8.637 1.00 0.71 H new ATOM 482 N ARG A 34 8.678 -0.139 -7.989 1.00 0.31 N ATOM 483 CA ARG A 34 8.449 -1.568 -7.887 1.00 0.32 C ATOM 484 C ARG A 34 8.858 -2.045 -6.522 1.00 0.36 C ATOM 485 O ARG A 34 9.960 -1.751 -6.067 1.00 0.48 O ATOM 486 CB ARG A 34 9.204 -2.341 -8.963 1.00 0.43 C ATOM 487 CG ARG A 34 8.831 -1.954 -10.374 1.00 0.59 C ATOM 488 CD ARG A 34 9.643 -2.727 -11.393 1.00 0.89 C ATOM 489 NE ARG A 34 11.094 -2.511 -11.239 1.00 1.94 N ATOM 490 CZ ARG A 34 12.042 -3.150 -11.946 1.00 2.65 C ATOM 491 NH1 ARG A 34 11.694 -4.043 -12.864 1.00 2.65 N ATOM 492 NH2 ARG A 34 13.329 -2.910 -11.706 1.00 3.76 N ATOM 0 H ARG A 34 9.645 0.154 -7.851 1.00 0.31 H new ATOM 0 HA ARG A 34 7.386 -1.753 -8.039 1.00 0.32 H new ATOM 0 HB2 ARG A 34 10.274 -2.184 -8.825 1.00 0.43 H new ATOM 0 HB3 ARG A 34 9.018 -3.407 -8.828 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.769 -2.141 -10.535 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.991 -0.885 -10.514 1.00 0.59 H new ATOM 0 HD2 ARG A 34 9.425 -3.790 -11.296 1.00 0.89 H new ATOM 0 HD3 ARG A 34 9.339 -2.430 -12.397 1.00 0.89 H new ATOM 0 HE ARG A 34 11.400 -1.828 -10.546 1.00 1.94 H new ATOM 0 HH11 ARG A 34 10.708 -4.244 -13.032 1.00 2.65 H new ATOM 0 HH12 ARG A 34 12.412 -4.529 -13.401 1.00 2.65 H new ATOM 0 HH21 ARG A 34 13.597 -2.240 -10.985 1.00 3.76 H new ATOM 0 HH22 ARG A 34 14.047 -3.396 -12.243 1.00 3.76 H new ATOM 506 N PHE A 35 7.988 -2.777 -5.875 1.00 0.35 N ATOM 507 CA PHE A 35 8.226 -3.268 -4.531 1.00 0.41 C ATOM 508 C PHE A 35 9.423 -4.197 -4.462 1.00 0.48 C ATOM 509 O PHE A 35 10.256 -4.060 -3.580 1.00 0.54 O ATOM 510 CB PHE A 35 6.982 -3.939 -3.942 1.00 0.41 C ATOM 511 CG PHE A 35 5.830 -2.998 -3.721 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.993 -1.849 -2.964 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.583 -3.270 -4.249 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.938 -0.993 -2.741 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.524 -2.415 -4.031 1.00 0.46 C ATOM 516 CZ PHE A 35 3.702 -1.276 -3.277 1.00 0.46 C ATOM 0 H PHE A 35 7.087 -3.054 -6.264 1.00 0.35 H new ATOM 0 HA PHE A 35 8.456 -2.394 -3.922 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.662 -4.739 -4.610 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.247 -4.403 -2.992 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.961 -1.622 -2.543 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.436 -4.162 -4.839 1.00 0.42 H new ATOM 0 HE1 PHE A 35 5.080 -0.102 -2.147 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.555 -2.638 -4.451 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.873 -0.606 -3.107 1.00 0.46 H new ATOM 526 N GLU A 36 9.547 -5.084 -5.424 1.00 0.56 N ATOM 527 CA GLU A 36 10.646 -6.049 -5.440 1.00 0.70 C ATOM 528 C GLU A 36 11.965 -5.316 -5.744 1.00 0.69 C ATOM 529 O GLU A 36 13.057 -5.745 -5.346 1.00 0.80 O ATOM 530 CB GLU A 36 10.370 -7.122 -6.499 1.00 0.88 C ATOM 531 CG GLU A 36 11.321 -8.304 -6.472 1.00 1.65 C ATOM 532 CD GLU A 36 11.238 -9.086 -5.182 1.00 2.01 C ATOM 533 OE1 GLU A 36 10.392 -10.008 -5.076 1.00 2.26 O ATOM 534 OE2 GLU A 36 12.026 -8.820 -4.251 1.00 2.71 O ATOM 0 H GLU A 36 8.903 -5.165 -6.211 1.00 0.56 H new ATOM 0 HA GLU A 36 10.729 -6.532 -4.467 1.00 0.70 H new ATOM 0 HB2 GLU A 36 9.352 -7.490 -6.367 1.00 0.88 H new ATOM 0 HB3 GLU A 36 10.416 -6.659 -7.485 1.00 0.88 H new ATOM 0 HG2 GLU A 36 11.097 -8.965 -7.309 1.00 1.65 H new ATOM 0 HG3 GLU A 36 12.342 -7.948 -6.612 1.00 1.65 H new ATOM 541 N ASP A 37 11.827 -4.183 -6.401 1.00 0.67 N ATOM 542 CA ASP A 37 12.946 -3.348 -6.808 1.00 0.76 C ATOM 543 C ASP A 37 13.470 -2.547 -5.626 1.00 0.72 C ATOM 544 O ASP A 37 14.673 -2.467 -5.404 1.00 0.87 O ATOM 545 CB ASP A 37 12.491 -2.411 -7.932 1.00 0.88 C ATOM 546 CG ASP A 37 13.571 -1.523 -8.488 1.00 1.13 C ATOM 547 OD1 ASP A 37 14.297 -1.965 -9.395 1.00 1.43 O ATOM 548 OD2 ASP A 37 13.659 -0.353 -8.087 1.00 1.61 O ATOM 0 H ASP A 37 10.919 -3.807 -6.674 1.00 0.67 H new ATOM 0 HA ASP A 37 13.756 -3.981 -7.171 1.00 0.76 H new ATOM 0 HB2 ASP A 37 12.081 -3.012 -8.743 1.00 0.88 H new ATOM 0 HB3 ASP A 37 11.681 -1.784 -7.558 1.00 0.88 H new ATOM 553 N ILE A 38 12.556 -1.987 -4.843 1.00 0.59 N ATOM 554 CA ILE A 38 12.940 -1.182 -3.677 1.00 0.62 C ATOM 555 C ILE A 38 13.012 -2.009 -2.379 1.00 0.60 C ATOM 556 O ILE A 38 13.134 -1.460 -1.273 1.00 0.66 O ATOM 557 CB ILE A 38 12.044 0.079 -3.479 1.00 0.61 C ATOM 558 CG1 ILE A 38 10.559 -0.313 -3.321 1.00 0.52 C ATOM 559 CG2 ILE A 38 12.234 1.052 -4.640 1.00 0.70 C ATOM 560 CD1 ILE A 38 9.612 0.864 -3.150 1.00 0.57 C ATOM 0 H ILE A 38 11.550 -2.071 -4.988 1.00 0.59 H new ATOM 0 HA ILE A 38 13.947 -0.829 -3.900 1.00 0.62 H new ATOM 0 HB ILE A 38 12.352 0.577 -2.560 1.00 0.61 H new ATOM 0 HG12 ILE A 38 10.252 -0.886 -4.196 1.00 0.52 H new ATOM 0 HG13 ILE A 38 10.460 -0.972 -2.458 1.00 0.52 H new ATOM 0 HG21 ILE A 38 11.602 1.927 -4.488 1.00 0.70 H new ATOM 0 HG22 ILE A 38 13.278 1.362 -4.688 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.957 0.563 -5.574 1.00 0.70 H new ATOM 0 HD11 ILE A 38 8.591 0.497 -3.046 1.00 0.57 H new ATOM 0 HD12 ILE A 38 9.888 1.426 -2.258 1.00 0.57 H new ATOM 0 HD13 ILE A 38 9.677 1.513 -4.023 1.00 0.57 H new ATOM 572 N GLY A 39 12.987 -3.319 -2.533 1.00 0.57 N ATOM 573 CA GLY A 39 13.156 -4.236 -1.413 1.00 0.58 C ATOM 574 C GLY A 39 11.986 -4.266 -0.444 1.00 0.50 C ATOM 575 O GLY A 39 12.182 -4.302 0.767 1.00 0.57 O ATOM 0 H GLY A 39 12.850 -3.780 -3.433 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.315 -5.241 -1.803 1.00 0.58 H new ATOM 0 HA3 GLY A 39 14.058 -3.960 -0.866 1.00 0.58 H new ATOM 579 N TYR A 40 10.796 -4.216 -0.956 1.00 0.43 N ATOM 580 CA TYR A 40 9.609 -4.314 -0.139 1.00 0.41 C ATOM 581 C TYR A 40 9.191 -5.745 -0.013 1.00 0.45 C ATOM 582 O TYR A 40 9.266 -6.513 -0.976 1.00 0.67 O ATOM 583 CB TYR A 40 8.458 -3.510 -0.724 1.00 0.44 C ATOM 584 CG TYR A 40 8.212 -2.178 -0.072 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.139 -1.158 -0.144 1.00 0.66 C ATOM 586 CD2 TYR A 40 7.019 -1.941 0.601 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.894 0.063 0.436 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.760 -0.726 1.189 1.00 0.86 C ATOM 589 CZ TYR A 40 7.707 0.280 1.099 1.00 0.98 C ATOM 590 OH TYR A 40 7.473 1.496 1.675 1.00 1.26 O ATOM 0 H TYR A 40 10.611 -4.106 -1.953 1.00 0.43 H new ATOM 0 HA TYR A 40 9.852 -3.906 0.842 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.651 -3.347 -1.784 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.547 -4.105 -0.653 1.00 0.44 H new ATOM 0 HD1 TYR A 40 10.071 -1.322 -0.664 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.281 -2.727 0.663 1.00 0.61 H new ATOM 0 HE1 TYR A 40 9.630 0.850 0.372 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.831 -0.558 1.714 1.00 0.86 H new ATOM 0 HH TYR A 40 7.109 1.367 2.576 1.00 1.26 H new ATOM 600 N ASP A 41 8.786 -6.110 1.158 1.00 0.48 N ATOM 601 CA ASP A 41 8.302 -7.440 1.406 1.00 0.59 C ATOM 602 C ASP A 41 6.828 -7.483 1.193 1.00 0.45 C ATOM 603 O ASP A 41 6.133 -6.479 1.360 1.00 0.39 O ATOM 604 CB ASP A 41 8.574 -7.895 2.836 1.00 0.85 C ATOM 605 CG ASP A 41 10.030 -7.982 3.187 1.00 1.50 C ATOM 606 OD1 ASP A 41 10.691 -8.961 2.782 1.00 2.11 O ATOM 607 OD2 ASP A 41 10.542 -7.096 3.911 1.00 2.01 O ATOM 0 H ASP A 41 8.779 -5.499 1.975 1.00 0.48 H new ATOM 0 HA ASP A 41 8.827 -8.102 0.717 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.087 -7.204 3.524 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.116 -8.872 2.988 1.00 0.85 H new ATOM 612 N SER A 42 6.339 -8.634 0.872 1.00 0.45 N ATOM 613 CA SER A 42 4.928 -8.834 0.701 1.00 0.41 C ATOM 614 C SER A 42 4.218 -8.837 2.041 1.00 0.33 C ATOM 615 O SER A 42 3.075 -8.421 2.142 1.00 0.30 O ATOM 616 CB SER A 42 4.654 -10.084 -0.124 1.00 0.50 C ATOM 617 OG SER A 42 5.736 -11.057 0.065 1.00 0.71 O ATOM 0 H SER A 42 6.904 -9.469 0.719 1.00 0.45 H new ATOM 0 HA SER A 42 4.518 -7.997 0.136 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.702 -10.524 0.173 1.00 0.50 H new ATOM 0 HB3 SER A 42 4.569 -9.822 -1.179 1.00 0.50 H new ATOM 622 N LEU A 43 4.927 -9.258 3.082 1.00 0.35 N ATOM 623 CA LEU A 43 4.389 -9.218 4.425 1.00 0.37 C ATOM 624 C LEU A 43 4.261 -7.765 4.856 1.00 0.33 C ATOM 625 O LEU A 43 3.337 -7.395 5.572 1.00 0.38 O ATOM 626 CB LEU A 43 5.283 -9.992 5.398 1.00 0.49 C ATOM 627 CG LEU A 43 4.768 -10.128 6.834 1.00 0.63 C ATOM 628 CD1 LEU A 43 3.425 -10.850 6.863 1.00 1.02 C ATOM 629 CD2 LEU A 43 5.781 -10.869 7.682 1.00 1.03 C ATOM 0 H LEU A 43 5.875 -9.630 3.016 1.00 0.35 H new ATOM 0 HA LEU A 43 3.408 -9.693 4.435 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.440 -10.993 4.995 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.257 -9.504 5.429 1.00 0.49 H new ATOM 0 HG LEU A 43 4.626 -9.128 7.244 1.00 0.63 H new ATOM 0 HD11 LEU A 43 3.080 -10.935 7.893 1.00 1.02 H new ATOM 0 HD12 LEU A 43 2.696 -10.286 6.281 1.00 1.02 H new ATOM 0 HD13 LEU A 43 3.538 -11.846 6.435 1.00 1.02 H new ATOM 0 HD21 LEU A 43 5.405 -10.960 8.701 1.00 1.03 H new ATOM 0 HD22 LEU A 43 5.946 -11.863 7.266 1.00 1.03 H new ATOM 0 HD23 LEU A 43 6.721 -10.318 7.690 1.00 1.03 H new ATOM 641 N ALA A 44 5.171 -6.936 4.361 1.00 0.33 N ATOM 642 CA ALA A 44 5.119 -5.516 4.617 1.00 0.37 C ATOM 643 C ALA A 44 3.931 -4.925 3.878 1.00 0.31 C ATOM 644 O ALA A 44 3.251 -4.068 4.390 1.00 0.35 O ATOM 645 CB ALA A 44 6.413 -4.836 4.201 1.00 0.46 C ATOM 0 H ALA A 44 5.954 -7.231 3.778 1.00 0.33 H new ATOM 0 HA ALA A 44 4.999 -5.348 5.687 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.345 -3.768 4.406 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.244 -5.261 4.764 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.579 -4.991 3.135 1.00 0.46 H new ATOM 651 N LEU A 45 3.668 -5.435 2.683 1.00 0.26 N ATOM 652 CA LEU A 45 2.509 -5.007 1.905 1.00 0.25 C ATOM 653 C LEU A 45 1.215 -5.382 2.625 1.00 0.28 C ATOM 654 O LEU A 45 0.237 -4.637 2.591 1.00 0.29 O ATOM 655 CB LEU A 45 2.532 -5.618 0.501 1.00 0.28 C ATOM 656 CG LEU A 45 3.714 -5.217 -0.370 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.627 -5.882 -1.735 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.773 -3.706 -0.507 1.00 0.40 C ATOM 0 H LEU A 45 4.241 -6.146 2.229 1.00 0.26 H new ATOM 0 HA LEU A 45 2.553 -3.923 1.804 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.525 -6.704 0.596 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.613 -5.338 -0.013 1.00 0.28 H new ATOM 0 HG LEU A 45 4.632 -5.557 0.110 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.482 -5.582 -2.341 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.631 -6.965 -1.613 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.705 -5.577 -2.230 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.622 -3.430 -1.132 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.852 -3.346 -0.966 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.887 -3.255 0.479 1.00 0.40 H new ATOM 670 N MET A 46 1.226 -6.547 3.278 1.00 0.34 N ATOM 671 CA MET A 46 0.102 -7.001 4.108 1.00 0.44 C ATOM 672 C MET A 46 -0.123 -6.007 5.215 1.00 0.40 C ATOM 673 O MET A 46 -1.233 -5.575 5.452 1.00 0.45 O ATOM 674 CB MET A 46 0.398 -8.361 4.753 1.00 0.71 C ATOM 675 CG MET A 46 0.665 -9.483 3.787 1.00 0.38 C ATOM 676 SD MET A 46 -0.735 -9.833 2.719 1.00 1.64 S ATOM 677 CE MET A 46 -1.979 -10.257 3.936 1.00 2.26 C ATOM 0 H MET A 46 2.009 -7.200 3.248 1.00 0.34 H new ATOM 0 HA MET A 46 -0.775 -7.091 3.467 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.262 -8.254 5.409 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.447 -8.638 5.383 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.529 -9.229 3.173 1.00 0.38 H new ATOM 0 HG3 MET A 46 0.924 -10.383 4.345 1.00 0.38 H new ATOM 0 HE1 MET A 46 -2.488 -11.172 3.633 1.00 2.26 H new ATOM 0 HE2 MET A 46 -1.503 -10.410 4.905 1.00 2.26 H new ATOM 0 HE3 MET A 46 -2.704 -9.447 4.012 1.00 2.26 H new ATOM 687 N GLU A 47 0.970 -5.642 5.866 1.00 0.40 N ATOM 688 CA GLU A 47 0.991 -4.694 6.974 1.00 0.46 C ATOM 689 C GLU A 47 0.366 -3.362 6.498 1.00 0.43 C ATOM 690 O GLU A 47 -0.525 -2.812 7.158 1.00 0.53 O ATOM 691 CB GLU A 47 2.464 -4.511 7.379 1.00 0.54 C ATOM 692 CG GLU A 47 2.755 -4.157 8.841 1.00 1.22 C ATOM 693 CD GLU A 47 2.178 -2.846 9.327 1.00 1.77 C ATOM 694 OE1 GLU A 47 2.630 -1.768 8.878 1.00 2.22 O ATOM 695 OE2 GLU A 47 1.308 -2.870 10.221 1.00 2.46 O ATOM 0 H GLU A 47 1.894 -6.006 5.633 1.00 0.40 H new ATOM 0 HA GLU A 47 0.417 -5.046 7.831 1.00 0.46 H new ATOM 0 HB2 GLU A 47 2.995 -5.433 7.144 1.00 0.54 H new ATOM 0 HB3 GLU A 47 2.891 -3.729 6.752 1.00 0.54 H new ATOM 0 HG2 GLU A 47 2.371 -4.958 9.473 1.00 1.22 H new ATOM 0 HG3 GLU A 47 3.836 -4.131 8.981 1.00 1.22 H new ATOM 702 N THR A 48 0.816 -2.900 5.330 1.00 0.33 N ATOM 703 CA THR A 48 0.306 -1.698 4.677 1.00 0.33 C ATOM 704 C THR A 48 -1.211 -1.818 4.442 1.00 0.31 C ATOM 705 O THR A 48 -1.991 -0.962 4.899 1.00 0.36 O ATOM 706 CB THR A 48 1.028 -1.517 3.318 1.00 0.32 C ATOM 707 OG1 THR A 48 2.434 -1.440 3.529 1.00 0.37 O ATOM 708 CG2 THR A 48 0.571 -0.258 2.601 1.00 0.38 C ATOM 0 H THR A 48 1.558 -3.361 4.804 1.00 0.33 H new ATOM 0 HA THR A 48 0.493 -0.836 5.317 1.00 0.33 H new ATOM 0 HB THR A 48 0.780 -2.377 2.696 1.00 0.32 H new ATOM 0 HG1 THR A 48 2.786 -2.335 3.718 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.100 -0.167 1.653 1.00 0.38 H new ATOM 0 HG22 THR A 48 -0.501 -0.315 2.414 1.00 0.38 H new ATOM 0 HG23 THR A 48 0.786 0.612 3.221 1.00 0.38 H new ATOM 716 N ALA A 49 -1.615 -2.877 3.738 1.00 0.29 N ATOM 717 CA ALA A 49 -2.994 -3.114 3.407 1.00 0.31 C ATOM 718 C ALA A 49 -3.841 -3.178 4.656 1.00 0.29 C ATOM 719 O ALA A 49 -4.758 -2.400 4.792 1.00 0.27 O ATOM 720 CB ALA A 49 -3.141 -4.394 2.594 1.00 0.35 C ATOM 0 H ALA A 49 -0.978 -3.591 3.385 1.00 0.29 H new ATOM 0 HA ALA A 49 -3.345 -2.280 2.799 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -4.192 -4.554 2.354 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.568 -4.307 1.671 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.768 -5.238 3.174 1.00 0.35 H new ATOM 726 N ALA A 50 -3.463 -4.046 5.597 1.00 0.33 N ATOM 727 CA ALA A 50 -4.214 -4.285 6.840 1.00 0.37 C ATOM 728 C ALA A 50 -4.427 -3.016 7.638 1.00 0.33 C ATOM 729 O ALA A 50 -5.481 -2.837 8.267 1.00 0.34 O ATOM 730 CB ALA A 50 -3.514 -5.326 7.702 1.00 0.47 C ATOM 0 H ALA A 50 -2.617 -4.611 5.520 1.00 0.33 H new ATOM 0 HA ALA A 50 -5.195 -4.659 6.546 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -4.087 -5.487 8.615 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -3.439 -6.264 7.151 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.514 -4.974 7.958 1.00 0.47 H new ATOM 736 N ARG A 51 -3.447 -2.136 7.576 1.00 0.34 N ATOM 737 CA ARG A 51 -3.465 -0.876 8.289 1.00 0.36 C ATOM 738 C ARG A 51 -4.599 -0.014 7.745 1.00 0.33 C ATOM 739 O ARG A 51 -5.375 0.574 8.492 1.00 0.42 O ATOM 740 CB ARG A 51 -2.112 -0.192 8.085 1.00 0.44 C ATOM 741 CG ARG A 51 -1.777 0.921 9.049 1.00 0.54 C ATOM 742 CD ARG A 51 -0.348 1.389 8.811 1.00 0.88 C ATOM 743 NE ARG A 51 0.154 2.246 9.891 1.00 1.06 N ATOM 744 CZ ARG A 51 1.071 1.846 10.800 1.00 1.91 C ATOM 745 NH1 ARG A 51 1.658 0.642 10.695 1.00 2.92 N ATOM 746 NH2 ARG A 51 1.425 2.645 11.793 1.00 2.00 N ATOM 0 H ARG A 51 -2.604 -2.279 7.020 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.631 -1.030 9.355 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.331 -0.950 8.151 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -2.080 0.210 7.072 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -2.470 1.752 8.916 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.890 0.573 10.076 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.302 0.520 8.710 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.301 1.934 7.868 1.00 0.88 H new ATOM 0 HE ARG A 51 -0.209 3.197 9.960 1.00 1.06 H new ATOM 0 HH11 ARG A 51 1.413 0.021 9.924 1.00 2.92 H new ATOM 0 HH12 ARG A 51 2.349 0.349 11.386 1.00 2.92 H new ATOM 0 HH21 ARG A 51 1.005 3.571 11.877 1.00 2.00 H new ATOM 0 HH22 ARG A 51 2.118 2.335 12.475 1.00 2.00 H new ATOM 760 N LEU A 52 -4.725 -0.003 6.439 1.00 0.28 N ATOM 761 CA LEU A 52 -5.749 0.764 5.774 1.00 0.30 C ATOM 762 C LEU A 52 -7.079 0.017 5.757 1.00 0.30 C ATOM 763 O LEU A 52 -8.138 0.638 5.831 1.00 0.37 O ATOM 764 CB LEU A 52 -5.290 1.158 4.377 1.00 0.31 C ATOM 765 CG LEU A 52 -4.048 2.053 4.352 1.00 0.35 C ATOM 766 CD1 LEU A 52 -3.630 2.370 2.936 1.00 0.41 C ATOM 767 CD2 LEU A 52 -4.310 3.330 5.126 1.00 0.40 C ATOM 0 H LEU A 52 -4.119 -0.527 5.808 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.917 1.682 6.337 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -5.083 0.253 3.806 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -6.106 1.674 3.871 1.00 0.31 H new ATOM 0 HG LEU A 52 -3.230 1.512 4.827 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -2.746 3.007 2.952 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -3.401 1.444 2.408 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -4.441 2.888 2.425 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -3.420 3.959 5.102 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -5.145 3.865 4.674 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -4.553 3.085 6.160 1.00 0.40 H new ATOM 779 N GLU A 53 -7.014 -1.306 5.666 1.00 0.27 N ATOM 780 CA GLU A 53 -8.178 -2.174 5.761 1.00 0.30 C ATOM 781 C GLU A 53 -8.955 -1.883 7.035 1.00 0.33 C ATOM 782 O GLU A 53 -10.138 -1.555 6.984 1.00 0.35 O ATOM 783 CB GLU A 53 -7.780 -3.660 5.734 1.00 0.33 C ATOM 784 CG GLU A 53 -7.215 -4.171 4.422 1.00 0.37 C ATOM 785 CD GLU A 53 -6.928 -5.652 4.484 1.00 0.58 C ATOM 786 OE1 GLU A 53 -7.813 -6.462 4.188 1.00 0.71 O ATOM 787 OE2 GLU A 53 -5.797 -6.029 4.792 1.00 0.91 O ATOM 0 H GLU A 53 -6.140 -1.811 5.522 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.807 -1.970 4.894 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.042 -3.833 6.517 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.657 -4.256 5.986 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.922 -3.969 3.617 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.298 -3.631 4.184 1.00 0.37 H new ATOM 794 N SER A 54 -8.269 -1.943 8.168 1.00 0.37 N ATOM 795 CA SER A 54 -8.889 -1.690 9.451 1.00 0.44 C ATOM 796 C SER A 54 -9.297 -0.210 9.594 1.00 0.43 C ATOM 797 O SER A 54 -10.326 0.103 10.200 1.00 0.52 O ATOM 798 CB SER A 54 -7.936 -2.095 10.578 1.00 0.54 C ATOM 799 OG SER A 54 -7.539 -3.461 10.450 1.00 1.44 O ATOM 0 H SER A 54 -7.275 -2.167 8.219 1.00 0.37 H new ATOM 0 HA SER A 54 -9.796 -2.290 9.517 1.00 0.44 H new ATOM 0 HB2 SER A 54 -7.055 -1.454 10.561 1.00 0.54 H new ATOM 0 HB3 SER A 54 -8.422 -1.943 11.542 1.00 0.54 H new ATOM 0 HG SER A 54 -6.842 -3.536 9.765 1.00 1.44 H new ATOM 805 N ARG A 55 -8.511 0.678 9.009 1.00 0.44 N ATOM 806 CA ARG A 55 -8.754 2.114 9.106 1.00 0.50 C ATOM 807 C ARG A 55 -9.990 2.554 8.302 1.00 0.50 C ATOM 808 O ARG A 55 -10.798 3.350 8.778 1.00 0.62 O ATOM 809 CB ARG A 55 -7.510 2.884 8.645 1.00 0.59 C ATOM 810 CG ARG A 55 -7.613 4.391 8.766 1.00 0.97 C ATOM 811 CD ARG A 55 -6.338 5.060 8.303 1.00 1.13 C ATOM 812 NE ARG A 55 -6.413 6.518 8.400 1.00 1.24 N ATOM 813 CZ ARG A 55 -5.808 7.369 7.567 1.00 1.64 C ATOM 814 NH1 ARG A 55 -5.107 6.905 6.543 1.00 1.93 N ATOM 815 NH2 ARG A 55 -5.912 8.677 7.759 1.00 2.25 N ATOM 0 H ARG A 55 -7.691 0.430 8.456 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.959 2.344 10.152 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -6.654 2.545 9.228 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -7.308 2.630 7.604 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -8.453 4.751 8.172 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -7.815 4.663 9.802 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.502 4.700 8.903 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -6.135 4.776 7.270 1.00 1.13 H new ATOM 0 HE ARG A 55 -6.968 6.913 9.159 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -5.030 5.899 6.392 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -4.644 7.554 5.906 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -6.455 9.036 8.544 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -5.449 9.324 7.121 1.00 2.25 H new ATOM 829 N TYR A 56 -10.121 2.046 7.100 1.00 0.42 N ATOM 830 CA TYR A 56 -11.214 2.435 6.216 1.00 0.44 C ATOM 831 C TYR A 56 -12.412 1.500 6.282 1.00 0.43 C ATOM 832 O TYR A 56 -13.506 1.851 5.840 1.00 0.52 O ATOM 833 CB TYR A 56 -10.711 2.610 4.777 1.00 0.44 C ATOM 834 CG TYR A 56 -9.881 3.863 4.596 1.00 0.49 C ATOM 835 CD1 TYR A 56 -8.532 3.855 4.916 1.00 0.48 C ATOM 836 CD2 TYR A 56 -10.426 5.030 4.069 1.00 0.62 C ATOM 837 CE1 TYR A 56 -7.745 4.963 4.715 1.00 0.55 C ATOM 838 CE2 TYR A 56 -9.642 6.150 3.872 1.00 0.71 C ATOM 839 CZ TYR A 56 -8.423 6.209 4.330 1.00 0.69 C ATOM 840 OH TYR A 56 -7.491 7.200 3.980 1.00 0.77 O ATOM 0 H TYR A 56 -9.483 1.357 6.702 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.577 3.397 6.578 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.116 1.741 4.497 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.564 2.644 4.100 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -8.091 2.961 5.331 1.00 0.48 H new ATOM 0 HD2 TYR A 56 -11.474 5.060 3.811 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -6.673 4.920 4.835 1.00 0.55 H new ATOM 0 HE2 TYR A 56 -10.046 6.992 3.329 1.00 0.71 H new ATOM 0 HH TYR A 56 -6.637 7.017 4.424 1.00 0.77 H new ATOM 850 N GLY A 57 -12.220 0.332 6.840 1.00 0.38 N ATOM 851 CA GLY A 57 -13.306 -0.616 6.945 1.00 0.41 C ATOM 852 C GLY A 57 -13.482 -1.385 5.659 1.00 0.39 C ATOM 853 O GLY A 57 -14.607 -1.546 5.157 1.00 0.51 O ATOM 0 H GLY A 57 -11.331 0.014 7.226 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -13.110 -1.309 7.763 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.230 -0.090 7.187 1.00 0.41 H new ATOM 857 N VAL A 58 -12.376 -1.858 5.128 1.00 0.34 N ATOM 858 CA VAL A 58 -12.359 -2.598 3.874 1.00 0.36 C ATOM 859 C VAL A 58 -11.609 -3.910 4.057 1.00 0.39 C ATOM 860 O VAL A 58 -11.075 -4.167 5.141 1.00 0.42 O ATOM 861 CB VAL A 58 -11.734 -1.791 2.683 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.500 -0.515 2.427 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.271 -1.461 2.939 1.00 0.34 C ATOM 0 H VAL A 58 -11.456 -1.742 5.552 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.400 -2.788 3.611 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.799 -2.428 1.801 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -12.044 0.023 1.596 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.534 -0.755 2.180 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.476 0.109 3.320 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -9.871 -0.902 2.093 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.187 -0.860 3.844 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.706 -2.385 3.063 1.00 0.34 H new ATOM 873 N SER A 59 -11.581 -4.730 3.028 1.00 0.43 N ATOM 874 CA SER A 59 -10.853 -5.974 3.054 1.00 0.49 C ATOM 875 C SER A 59 -10.139 -6.213 1.715 1.00 0.45 C ATOM 876 O SER A 59 -10.748 -6.121 0.638 1.00 0.56 O ATOM 877 CB SER A 59 -11.797 -7.136 3.370 1.00 0.67 C ATOM 878 OG SER A 59 -12.431 -6.960 4.639 1.00 1.48 O ATOM 0 H SER A 59 -12.065 -4.549 2.149 1.00 0.43 H new ATOM 0 HA SER A 59 -10.098 -5.914 3.838 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.555 -7.214 2.590 1.00 0.67 H new ATOM 0 HB3 SER A 59 -11.239 -8.072 3.367 1.00 0.67 H new ATOM 0 HG SER A 59 -13.029 -7.716 4.813 1.00 1.48 H new ATOM 884 N ILE A 60 -8.857 -6.457 1.793 1.00 0.39 N ATOM 885 CA ILE A 60 -8.027 -6.771 0.654 1.00 0.43 C ATOM 886 C ILE A 60 -7.446 -8.170 0.846 1.00 0.35 C ATOM 887 O ILE A 60 -6.782 -8.435 1.858 1.00 0.42 O ATOM 888 CB ILE A 60 -6.868 -5.722 0.424 1.00 0.58 C ATOM 889 CG1 ILE A 60 -7.375 -4.423 -0.223 1.00 0.75 C ATOM 890 CG2 ILE A 60 -5.736 -6.289 -0.403 1.00 0.71 C ATOM 891 CD1 ILE A 60 -8.177 -3.528 0.673 1.00 1.01 C ATOM 0 H ILE A 60 -8.345 -6.443 2.675 1.00 0.39 H new ATOM 0 HA ILE A 60 -8.652 -6.731 -0.238 1.00 0.43 H new ATOM 0 HB ILE A 60 -6.487 -5.488 1.418 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -6.517 -3.863 -0.594 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -7.984 -4.682 -1.089 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -4.965 -5.530 -0.533 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -5.311 -7.154 0.106 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -6.115 -6.592 -1.379 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -8.485 -2.641 0.120 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -9.060 -4.062 1.025 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -7.569 -3.230 1.527 1.00 1.01 H new ATOM 903 N PRO A 61 -7.722 -9.093 -0.089 1.00 0.43 N ATOM 904 CA PRO A 61 -7.243 -10.479 -0.015 1.00 0.50 C ATOM 905 C PRO A 61 -5.722 -10.582 0.140 1.00 0.46 C ATOM 906 O PRO A 61 -4.965 -9.782 -0.437 1.00 0.40 O ATOM 907 CB PRO A 61 -7.690 -11.079 -1.342 1.00 0.63 C ATOM 908 CG PRO A 61 -8.858 -10.260 -1.742 1.00 0.74 C ATOM 909 CD PRO A 61 -8.541 -8.869 -1.292 1.00 0.63 C ATOM 0 HA PRO A 61 -7.641 -10.994 0.860 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -6.896 -11.030 -2.088 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -7.960 -12.129 -1.232 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.014 -10.298 -2.820 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.772 -10.625 -1.275 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -7.996 -8.312 -2.054 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.444 -8.301 -1.067 1.00 0.63 H new ATOM 917 N ASP A 62 -5.308 -11.576 0.909 1.00 0.61 N ATOM 918 CA ASP A 62 -3.901 -11.840 1.267 1.00 0.72 C ATOM 919 C ASP A 62 -2.971 -11.821 0.082 1.00 0.66 C ATOM 920 O ASP A 62 -2.113 -10.945 -0.038 1.00 0.67 O ATOM 921 CB ASP A 62 -3.754 -13.201 1.959 1.00 1.04 C ATOM 922 CG ASP A 62 -4.190 -13.229 3.397 1.00 1.22 C ATOM 923 OD1 ASP A 62 -5.414 -13.244 3.674 1.00 1.74 O ATOM 924 OD2 ASP A 62 -3.319 -13.272 4.284 1.00 1.73 O ATOM 0 H ASP A 62 -5.954 -12.250 1.321 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.621 -11.030 1.940 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -4.333 -13.939 1.404 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -2.710 -13.509 1.905 1.00 1.04 H new ATOM 929 N ASP A 63 -3.178 -12.733 -0.844 1.00 0.68 N ATOM 930 CA ASP A 63 -2.241 -12.876 -1.947 1.00 0.73 C ATOM 931 C ASP A 63 -2.394 -11.743 -2.939 1.00 0.63 C ATOM 932 O ASP A 63 -1.549 -11.550 -3.793 1.00 0.78 O ATOM 933 CB ASP A 63 -2.314 -14.254 -2.652 1.00 0.92 C ATOM 934 CG ASP A 63 -3.445 -14.408 -3.650 1.00 1.41 C ATOM 935 OD1 ASP A 63 -3.288 -14.018 -4.823 1.00 2.17 O ATOM 936 OD2 ASP A 63 -4.540 -14.865 -3.248 1.00 1.81 O ATOM 0 H ASP A 63 -3.969 -13.377 -0.860 1.00 0.68 H new ATOM 0 HA ASP A 63 -1.246 -12.823 -1.505 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -1.370 -14.432 -3.167 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -2.413 -15.029 -1.892 1.00 0.92 H new ATOM 941 N VAL A 64 -3.470 -11.001 -2.819 1.00 0.48 N ATOM 942 CA VAL A 64 -3.708 -9.866 -3.668 1.00 0.44 C ATOM 943 C VAL A 64 -2.852 -8.687 -3.198 1.00 0.38 C ATOM 944 O VAL A 64 -2.225 -8.003 -4.007 1.00 0.41 O ATOM 945 CB VAL A 64 -5.207 -9.488 -3.713 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.432 -8.274 -4.589 1.00 0.57 C ATOM 947 CG2 VAL A 64 -5.999 -10.652 -4.260 1.00 0.58 C ATOM 0 H VAL A 64 -4.202 -11.170 -2.129 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.421 -10.130 -4.686 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.536 -9.251 -2.701 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.494 -8.028 -4.604 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.870 -7.429 -4.191 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -5.095 -8.489 -5.603 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.056 -10.389 -4.293 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.652 -10.888 -5.266 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -5.861 -11.521 -3.616 1.00 0.58 H new ATOM 957 N ALA A 65 -2.791 -8.491 -1.888 1.00 0.36 N ATOM 958 CA ALA A 65 -1.967 -7.435 -1.307 1.00 0.36 C ATOM 959 C ALA A 65 -0.502 -7.652 -1.670 1.00 0.38 C ATOM 960 O ALA A 65 0.216 -6.717 -1.995 1.00 0.46 O ATOM 961 CB ALA A 65 -2.127 -7.406 0.205 1.00 0.42 C ATOM 0 H ALA A 65 -3.303 -9.050 -1.205 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.296 -6.478 -1.712 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -1.506 -6.613 0.621 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.171 -7.219 0.457 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -1.819 -8.365 0.622 1.00 0.42 H new ATOM 967 N GLY A 66 -0.092 -8.903 -1.669 1.00 0.39 N ATOM 968 CA GLY A 66 1.272 -9.229 -1.981 1.00 0.46 C ATOM 969 C GLY A 66 1.502 -9.599 -3.441 1.00 0.48 C ATOM 970 O GLY A 66 2.576 -10.098 -3.781 1.00 0.77 O ATOM 0 H GLY A 66 -0.686 -9.704 -1.456 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.905 -8.378 -1.728 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.589 -10.061 -1.352 1.00 0.46 H new ATOM 974 N ARG A 67 0.516 -9.368 -4.317 1.00 0.36 N ATOM 975 CA ARG A 67 0.699 -9.709 -5.746 1.00 0.41 C ATOM 976 C ARG A 67 1.101 -8.486 -6.533 1.00 0.37 C ATOM 977 O ARG A 67 1.631 -8.596 -7.630 1.00 0.47 O ATOM 978 CB ARG A 67 -0.566 -10.327 -6.403 1.00 0.55 C ATOM 979 CG ARG A 67 -1.721 -9.366 -6.637 1.00 1.14 C ATOM 980 CD ARG A 67 -2.850 -10.012 -7.427 1.00 1.95 C ATOM 981 NE ARG A 67 -3.386 -11.232 -6.791 1.00 2.92 N ATOM 982 CZ ARG A 67 -4.577 -11.786 -7.096 1.00 4.03 C ATOM 983 NH1 ARG A 67 -5.438 -11.136 -7.868 1.00 4.35 N ATOM 984 NH2 ARG A 67 -4.928 -12.941 -6.550 1.00 5.04 N ATOM 0 H ARG A 67 -0.389 -8.961 -4.080 1.00 0.36 H new ATOM 0 HA ARG A 67 1.486 -10.463 -5.770 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.280 -10.763 -7.360 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -0.918 -11.144 -5.773 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -2.103 -9.018 -5.677 1.00 1.14 H new ATOM 0 HG3 ARG A 67 -1.359 -8.489 -7.173 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -3.657 -9.290 -7.549 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -2.490 -10.260 -8.425 1.00 1.95 H new ATOM 0 HE ARG A 67 -2.819 -11.685 -6.075 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -5.200 -10.214 -8.233 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -6.338 -11.558 -8.096 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -4.298 -13.410 -5.900 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -5.829 -13.361 -6.780 1.00 5.04 H new ATOM 998 N VAL A 68 0.839 -7.329 -5.970 1.00 0.37 N ATOM 999 CA VAL A 68 1.094 -6.078 -6.653 1.00 0.38 C ATOM 1000 C VAL A 68 2.594 -5.799 -6.772 1.00 0.42 C ATOM 1001 O VAL A 68 3.397 -6.320 -5.983 1.00 0.75 O ATOM 1002 CB VAL A 68 0.355 -4.887 -5.981 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.152 -5.108 -6.031 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.802 -4.711 -4.537 1.00 0.43 C ATOM 0 H VAL A 68 0.447 -7.226 -5.034 1.00 0.37 H new ATOM 0 HA VAL A 68 0.693 -6.181 -7.661 1.00 0.38 H new ATOM 0 HB VAL A 68 0.605 -3.981 -6.532 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.659 -4.267 -5.557 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.474 -5.187 -7.069 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.403 -6.028 -5.502 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.269 -3.871 -4.091 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.583 -5.619 -3.975 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.874 -4.517 -4.509 1.00 0.43 H new ATOM 1014 N ASP A 69 2.966 -5.008 -7.758 1.00 0.35 N ATOM 1015 CA ASP A 69 4.369 -4.680 -7.998 1.00 0.42 C ATOM 1016 C ASP A 69 4.626 -3.230 -7.776 1.00 0.33 C ATOM 1017 O ASP A 69 5.633 -2.849 -7.210 1.00 0.34 O ATOM 1018 CB ASP A 69 4.810 -5.061 -9.419 1.00 0.62 C ATOM 1019 CG ASP A 69 5.044 -6.533 -9.606 1.00 1.22 C ATOM 1020 OD1 ASP A 69 4.059 -7.285 -9.755 1.00 2.03 O ATOM 1021 OD2 ASP A 69 6.205 -6.985 -9.579 1.00 1.32 O ATOM 0 H ASP A 69 2.316 -4.575 -8.414 1.00 0.35 H new ATOM 0 HA ASP A 69 4.952 -5.263 -7.286 1.00 0.42 H new ATOM 0 HB2 ASP A 69 4.049 -4.731 -10.126 1.00 0.62 H new ATOM 0 HB3 ASP A 69 5.726 -4.523 -9.662 1.00 0.62 H new ATOM 1026 N THR A 70 3.727 -2.426 -8.229 1.00 0.30 N ATOM 1027 CA THR A 70 3.851 -1.010 -8.106 1.00 0.28 C ATOM 1028 C THR A 70 2.898 -0.486 -7.024 1.00 0.26 C ATOM 1029 O THR A 70 1.806 -1.048 -6.832 1.00 0.27 O ATOM 1030 CB THR A 70 3.546 -0.328 -9.471 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.225 -0.679 -9.904 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.538 -0.785 -10.536 1.00 0.35 C ATOM 0 H THR A 70 2.876 -2.733 -8.700 1.00 0.30 H new ATOM 0 HA THR A 70 4.873 -0.770 -7.814 1.00 0.28 H new ATOM 0 HB THR A 70 3.628 0.750 -9.336 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.173 -1.647 -10.045 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.307 -0.296 -11.482 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.550 -0.520 -10.229 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.467 -1.866 -10.659 1.00 0.35 H new ATOM 1040 N PRO A 71 3.301 0.567 -6.263 1.00 0.26 N ATOM 1041 CA PRO A 71 2.436 1.212 -5.268 1.00 0.26 C ATOM 1042 C PRO A 71 1.133 1.684 -5.891 1.00 0.24 C ATOM 1043 O PRO A 71 0.106 1.742 -5.221 1.00 0.25 O ATOM 1044 CB PRO A 71 3.268 2.400 -4.789 1.00 0.30 C ATOM 1045 CG PRO A 71 4.666 1.960 -4.998 1.00 0.32 C ATOM 1046 CD PRO A 71 4.645 1.166 -6.268 1.00 0.29 C ATOM 0 HA PRO A 71 2.148 0.537 -4.462 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.043 3.302 -5.359 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.073 2.628 -3.741 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.339 2.814 -5.079 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.017 1.355 -4.162 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.801 1.799 -7.142 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.426 0.405 -6.281 1.00 0.29 H new ATOM 1054 N ARG A 72 1.191 2.016 -7.191 1.00 0.24 N ATOM 1055 CA ARG A 72 -0.004 2.391 -7.956 1.00 0.27 C ATOM 1056 C ARG A 72 -1.063 1.289 -7.855 1.00 0.23 C ATOM 1057 O ARG A 72 -2.217 1.562 -7.575 1.00 0.27 O ATOM 1058 CB ARG A 72 0.323 2.627 -9.437 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.897 3.030 -10.254 1.00 0.53 C ATOM 1060 CD ARG A 72 -0.624 3.059 -11.745 1.00 0.72 C ATOM 1061 NE ARG A 72 0.375 4.058 -12.146 1.00 0.79 N ATOM 1062 CZ ARG A 72 0.215 4.932 -13.160 1.00 1.57 C ATOM 1063 NH1 ARG A 72 -0.952 4.993 -13.825 1.00 2.55 N ATOM 1064 NH2 ARG A 72 1.223 5.724 -13.509 1.00 1.67 N ATOM 0 H ARG A 72 2.055 2.032 -7.733 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.384 3.319 -7.529 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.082 3.406 -9.517 1.00 0.36 H new ATOM 0 HB3 ARG A 72 0.753 1.718 -9.859 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.710 2.333 -10.052 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -1.235 4.015 -9.932 1.00 0.53 H new ATOM 0 HD2 ARG A 72 -0.285 2.073 -12.062 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -1.557 3.260 -12.272 1.00 0.72 H new ATOM 0 HE ARG A 72 1.249 4.093 -11.622 1.00 0.79 H new ATOM 0 HH11 ARG A 72 -1.721 4.376 -13.563 1.00 2.55 H new ATOM 0 HH12 ARG A 72 -1.068 5.656 -14.591 1.00 2.55 H new ATOM 0 HH21 ARG A 72 2.111 5.669 -13.011 1.00 1.67 H new ATOM 0 HH22 ARG A 72 1.109 6.387 -14.275 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.638 0.044 -8.054 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.530 -1.113 -7.987 1.00 0.24 C ATOM 1080 C GLU A 73 -2.142 -1.245 -6.605 1.00 0.21 C ATOM 1081 O GLU A 73 -3.332 -1.430 -6.476 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.775 -2.385 -8.325 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.300 -2.475 -9.748 1.00 0.44 C ATOM 1084 CD GLU A 73 0.665 -3.601 -9.946 1.00 1.27 C ATOM 1085 OE1 GLU A 73 0.213 -4.741 -10.141 1.00 1.49 O ATOM 1086 OE2 GLU A 73 1.884 -3.383 -9.933 1.00 2.08 O ATOM 0 H GLU A 73 0.331 -0.192 -8.266 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.327 -0.961 -8.714 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.087 -2.466 -7.663 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.419 -3.240 -8.117 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -1.157 -2.611 -10.408 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.175 -1.536 -10.032 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.310 -1.112 -5.580 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.754 -1.229 -4.186 1.00 0.21 C ATOM 1095 C LEU A 74 -2.768 -0.106 -3.876 1.00 0.19 C ATOM 1096 O LEU A 74 -3.804 -0.336 -3.228 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.507 -1.181 -3.244 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.667 -1.610 -1.750 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.481 -0.622 -0.927 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.265 -3.009 -1.651 1.00 0.88 C ATOM 0 H LEU A 74 -0.313 -0.921 -5.684 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.258 -2.181 -4.019 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.264 -1.812 -3.686 1.00 0.25 H new ATOM 0 HB3 LEU A 74 -0.127 -0.159 -3.254 1.00 0.25 H new ATOM 0 HG LEU A 74 0.336 -1.618 -1.324 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.555 -0.978 0.100 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.992 0.352 -0.939 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.481 -0.531 -1.352 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.368 -3.287 -0.602 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.246 -3.020 -2.127 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.610 -3.721 -2.153 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.477 1.088 -4.374 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.355 2.235 -4.219 1.00 0.21 C ATOM 1114 C LEU A 75 -4.681 1.956 -4.915 1.00 0.20 C ATOM 1115 O LEU A 75 -5.748 2.026 -4.294 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.702 3.488 -4.821 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.487 4.796 -4.689 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.700 5.142 -3.233 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.767 5.928 -5.398 1.00 0.37 C ATOM 0 H LEU A 75 -1.624 1.287 -4.897 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.532 2.409 -3.158 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.728 3.625 -4.351 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.521 3.304 -5.880 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.460 4.657 -5.160 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.260 6.074 -3.159 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.260 4.343 -2.747 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.734 5.258 -2.742 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.342 6.848 -5.292 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.780 6.064 -4.957 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.661 5.686 -6.456 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.588 1.587 -6.185 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.743 1.271 -7.029 1.00 0.25 C ATOM 1133 C ASP A 76 -6.582 0.161 -6.414 1.00 0.23 C ATOM 1134 O ASP A 76 -7.806 0.221 -6.427 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.278 0.867 -8.435 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.416 0.496 -9.350 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -7.110 1.417 -9.869 1.00 0.72 O ATOM 1138 OD2 ASP A 76 -6.649 -0.708 -9.574 1.00 1.07 O ATOM 0 H ASP A 76 -3.695 1.496 -6.670 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.363 2.164 -7.103 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.718 1.691 -8.877 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.593 0.023 -8.356 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.911 -0.821 -5.859 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.535 -1.940 -5.179 1.00 0.23 C ATOM 1145 C LEU A 77 -7.406 -1.463 -4.022 1.00 0.26 C ATOM 1146 O LEU A 77 -8.607 -1.750 -3.981 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.453 -2.899 -4.677 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.905 -4.117 -3.886 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.877 -4.963 -4.696 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.688 -4.929 -3.482 1.00 0.32 C ATOM 0 H LEU A 77 -4.892 -0.868 -5.866 1.00 0.21 H new ATOM 0 HA LEU A 77 -7.181 -2.463 -5.885 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.888 -3.250 -5.540 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.763 -2.331 -4.054 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.430 -3.786 -2.990 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -7.185 -5.827 -4.108 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.753 -4.367 -4.951 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.390 -5.301 -5.611 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -5.006 -5.804 -2.915 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -4.153 -5.251 -4.375 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.030 -4.316 -2.866 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.826 -0.698 -3.102 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.597 -0.216 -1.971 1.00 0.29 C ATOM 1164 C ILE A 78 -8.645 0.799 -2.424 1.00 0.29 C ATOM 1165 O ILE A 78 -9.751 0.813 -1.913 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.727 0.342 -0.806 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.796 -0.760 -0.275 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.610 0.888 0.327 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.981 -0.353 0.934 1.00 0.34 C ATOM 0 H ILE A 78 -5.849 -0.406 -3.118 1.00 0.26 H new ATOM 0 HA ILE A 78 -8.106 -1.087 -1.558 1.00 0.29 H new ATOM 0 HB ILE A 78 -6.124 1.165 -1.189 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.395 -1.634 -0.018 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -5.117 -1.062 -1.072 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.978 1.272 1.128 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -8.238 1.692 -0.056 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -8.241 0.088 0.714 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.351 -1.186 1.246 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.353 0.501 0.679 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.651 -0.080 1.749 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.324 1.594 -3.443 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.305 2.554 -3.986 1.00 0.32 C ATOM 1183 C ASN A 79 -10.461 1.819 -4.629 1.00 0.31 C ATOM 1184 O ASN A 79 -11.570 2.315 -4.661 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.698 3.574 -4.985 1.00 0.44 C ATOM 1186 CG ASN A 79 -7.844 4.672 -4.342 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.823 5.805 -4.806 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -7.120 4.354 -3.304 1.00 0.89 N ATOM 0 H ASN A 79 -7.415 1.600 -3.906 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.660 3.135 -3.135 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -8.086 3.034 -5.708 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.509 4.043 -5.542 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -6.523 5.055 -2.865 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -7.151 3.405 -2.932 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.188 0.620 -5.107 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.215 -0.215 -5.685 1.00 0.39 C ATOM 1197 C GLY A 80 -12.201 -0.647 -4.631 1.00 0.42 C ATOM 1198 O GLY A 80 -13.414 -0.610 -4.845 1.00 0.47 O ATOM 0 H GLY A 80 -9.257 0.204 -5.105 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.733 0.330 -6.474 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.761 -1.091 -6.148 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.680 -1.031 -3.479 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.509 -1.412 -2.349 1.00 0.51 C ATOM 1204 C ALA A 81 -13.223 -0.181 -1.797 1.00 0.52 C ATOM 1205 O ALA A 81 -14.402 -0.230 -1.464 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.658 -2.068 -1.269 1.00 0.56 C ATOM 0 H ALA A 81 -10.677 -1.087 -3.301 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.257 -2.133 -2.679 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.291 -2.349 -0.427 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -11.178 -2.958 -1.675 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.895 -1.367 -0.931 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.498 0.928 -1.750 1.00 0.46 N ATOM 1213 CA LEU A 82 -13.017 2.207 -1.273 1.00 0.54 C ATOM 1214 C LEU A 82 -14.107 2.760 -2.174 1.00 0.62 C ATOM 1215 O LEU A 82 -14.968 3.514 -1.723 1.00 0.84 O ATOM 1216 CB LEU A 82 -11.895 3.224 -1.100 1.00 0.55 C ATOM 1217 CG LEU A 82 -10.923 2.952 0.039 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -9.847 4.012 0.074 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -11.667 2.916 1.356 1.00 1.03 C ATOM 0 H LEU A 82 -11.522 0.968 -2.045 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.468 2.019 -0.299 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.330 3.275 -2.031 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.341 4.206 -0.945 1.00 0.55 H new ATOM 0 HG LEU A 82 -10.450 1.984 -0.125 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.159 3.805 0.894 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.300 4.007 -0.869 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.305 4.990 0.223 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -10.964 2.721 2.166 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.156 3.875 1.524 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -12.417 2.126 1.329 1.00 1.03 H new ATOM 1231 N ALA A 83 -14.089 2.374 -3.432 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.119 2.776 -4.371 1.00 0.66 C ATOM 1233 C ALA A 83 -16.454 2.181 -3.947 1.00 0.86 C ATOM 1234 O ALA A 83 -17.506 2.784 -4.130 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.760 2.337 -5.781 1.00 0.64 C ATOM 0 H ALA A 83 -13.366 1.777 -3.832 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.197 3.863 -4.369 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.545 2.648 -6.470 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.816 2.796 -6.076 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.661 1.252 -5.810 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.389 1.019 -3.327 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.566 0.339 -2.845 1.00 1.18 C ATOM 1243 C GLU A 84 -17.704 0.527 -1.338 1.00 1.28 C ATOM 1244 O GLU A 84 -18.467 -0.163 -0.658 1.00 1.63 O ATOM 1245 CB GLU A 84 -17.531 -1.126 -3.252 1.00 1.30 C ATOM 1246 CG GLU A 84 -17.524 -1.291 -4.759 1.00 1.61 C ATOM 1247 CD GLU A 84 -17.621 -2.713 -5.203 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -18.710 -3.301 -5.120 1.00 2.42 O ATOM 1249 OE2 GLU A 84 -16.590 -3.287 -5.619 1.00 2.66 O ATOM 0 H GLU A 84 -15.516 0.523 -3.145 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.453 0.776 -3.303 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -16.644 -1.599 -2.830 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -18.396 -1.640 -2.834 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -18.357 -0.729 -5.182 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -16.609 -0.855 -5.160 1.00 1.61 H new ATOM 1256 N ALA A 85 -16.970 1.492 -0.830 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.069 1.901 0.554 1.00 1.33 C ATOM 1258 C ALA A 85 -17.909 3.163 0.611 1.00 1.71 C ATOM 1259 O ALA A 85 -18.017 3.826 1.647 1.00 2.30 O ATOM 1260 CB ALA A 85 -15.693 2.132 1.161 1.00 1.30 C ATOM 0 H ALA A 85 -16.283 2.019 -1.369 1.00 1.13 H new ATOM 0 HA ALA A 85 -17.541 1.112 1.140 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -15.801 2.438 2.201 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.114 1.210 1.113 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -15.176 2.914 0.604 1.00 1.30 H new ATOM 1266 N ALA A 86 -18.489 3.481 -0.529 1.00 2.12 N ATOM 1267 CA ALA A 86 -19.367 4.601 -0.689 1.00 2.78 C ATOM 1268 C ALA A 86 -20.728 4.222 -0.147 1.00 3.16 C ATOM 1269 O ALA A 86 -21.081 4.669 0.966 1.00 3.59 O ATOM 1270 CB ALA A 86 -19.460 4.992 -2.159 1.00 3.57 C ATOM 1271 OXT ALA A 86 -21.418 3.385 -0.781 1.00 3.56 O ATOM 0 H ALA A 86 -18.353 2.947 -1.387 1.00 2.12 H new ATOM 0 HA ALA A 86 -18.982 5.461 -0.141 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -20.130 5.845 -2.267 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -18.470 5.260 -2.528 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -19.846 4.151 -2.735 1.00 3.57 H new TER 1277 ALA A 86 HETATM 1278 P24 SXD A 87 5.563 -12.346 0.940 1.00 0.90 P HETATM 1279 O26 SXD A 87 5.505 -11.952 2.424 1.00 1.54 O HETATM 1280 O23 SXD A 87 6.710 -13.311 0.531 1.00 1.52 O HETATM 1281 O27 SXD A 87 4.258 -13.085 0.544 1.00 1.03 O HETATM 1282 C28 SXD A 87 2.933 -12.558 0.902 1.00 0.94 C HETATM 1283 C29 SXD A 87 1.806 -13.471 0.379 1.00 1.31 C HETATM 1284 C30 SXD A 87 0.511 -12.823 0.806 1.00 1.48 C HETATM 1285 C31 SXD A 87 1.864 -13.534 -1.153 1.00 1.80 C HETATM 1286 C32 SXD A 87 1.932 -14.956 0.994 1.00 2.11 C HETATM 1287 O33 SXD A 87 3.173 -15.556 0.589 1.00 2.59 O HETATM 1288 C34 SXD A 87 0.827 -15.894 0.468 1.00 2.68 C HETATM 1289 O35 SXD A 87 1.114 -16.742 -0.385 1.00 3.26 O HETATM 1290 N36 SXD A 87 -0.394 -15.772 0.960 1.00 2.90 N HETATM 1291 C37 SXD A 87 -1.531 -16.614 0.541 1.00 3.68 C HETATM 1292 C38 SXD A 87 -2.701 -16.603 1.536 1.00 4.14 C HETATM 1293 C39 SXD A 87 -2.419 -17.280 2.893 1.00 4.26 C HETATM 1294 O40 SXD A 87 -3.308 -17.408 3.745 1.00 4.93 O HETATM 1295 N41 SXD A 87 -1.178 -17.695 3.088 1.00 4.07 N HETATM 1296 C42 SXD A 87 -0.722 -18.346 4.299 1.00 4.66 C HETATM 1297 C43 SXD A 87 0.638 -17.843 4.743 1.00 4.86 C HETATM 1298 S1 SXD A 87 1.220 -18.681 6.228 1.00 5.53 S HETATM 1299 C1 SXD A 87 1.393 -20.378 5.607 1.00 6.36 C HETATM 1300 C2 SXD A 87 1.788 -21.358 6.691 1.00 6.96 C HETATM 1301 C3 SXD A 87 2.040 -22.766 6.179 1.00 7.66 C HETATM 1302 O3 SXD A 87 1.275 -23.713 6.490 1.00 8.05 O HETATM 1303 C4 SXD A 87 3.277 -22.992 5.322 1.00 8.24 C HETATM 1304 C5 SXD A 87 4.403 -23.755 6.011 1.00 8.87 C HETATM 1305 O5 SXD A 87 5.477 -23.190 6.305 1.00 9.15 O HETATM 1306 C6 SXD A 87 4.195 -25.223 6.319 1.00 9.45 C HETATM 0 HO33 SXD A 87 3.847 -14.857 0.457 1.00 2.59 H new HETATM 0 HN41 SXD A 87 -0.501 -17.547 2.340 1.00 4.07 H new HETATM 0 HN36 SXD A 87 -0.559 -15.057 1.668 1.00 2.90 H new HETATM 0 H43A SXD A 87 1.359 -17.990 3.938 1.00 4.86 H new HETATM 0 H42A SXD A 87 -1.447 -18.178 5.095 1.00 4.66 H new HETATM 0 H38A SXD A 87 -2.992 -15.568 1.718 1.00 4.14 H new HETATM 0 H37A SXD A 87 -1.887 -16.272 -0.431 1.00 3.68 H new HETATM 0 H31B SXD A 87 1.738 -12.532 -1.563 1.00 1.80 H new HETATM 0 H31A SXD A 87 2.829 -13.935 -1.464 1.00 1.80 H new HETATM 0 H30B SXD A 87 0.483 -12.748 1.893 1.00 1.48 H new HETATM 0 H30A SXD A 87 0.442 -11.826 0.371 1.00 1.48 H new HETATM 0 H28A SXD A 87 2.856 -12.467 1.985 1.00 0.94 H new HETATM 0 H6B SXD A 87 3.335 -25.338 6.979 1.00 9.45 H new HETATM 0 H6A SXD A 87 4.016 -25.767 5.392 1.00 9.45 H new HETATM 0 H6 SXD A 87 5.084 -25.622 6.808 1.00 9.45 H new HETATM 0 H4A SXD A 87 2.985 -23.536 4.424 1.00 8.24 H new HETATM 0 H43 SXD A 87 0.584 -16.771 4.930 1.00 4.86 H new HETATM 0 H42 SXD A 87 -0.673 -19.422 4.135 1.00 4.66 H new HETATM 0 H4 SXD A 87 3.659 -22.024 4.998 1.00 8.24 H new HETATM 0 H38 SXD A 87 -3.555 -17.097 1.073 1.00 4.14 H new HETATM 0 H37 SXD A 87 -1.185 -17.639 0.411 1.00 3.68 H new HETATM 0 H32 SXD A 87 1.858 -14.843 2.076 1.00 2.11 H new HETATM 0 H31 SXD A 87 1.067 -14.180 -1.521 1.00 1.80 H new HETATM 0 H30 SXD A 87 -0.329 -13.427 0.462 1.00 1.48 H new HETATM 0 H2A SXD A 87 2.688 -20.995 7.187 1.00 6.96 H new HETATM 0 H28 SXD A 87 2.814 -11.557 0.488 1.00 0.94 H new HETATM 0 H2 SXD A 87 1.001 -21.390 7.444 1.00 6.96 H new HETATM 0 H1A SXD A 87 0.450 -20.696 5.161 1.00 6.36 H new HETATM 0 H1 SXD A 87 2.142 -20.396 4.815 1.00 6.36 H new