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+ -115:sc= 0.394 (180deg=0.0403) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 17 SER OG : rot 80:sc= 0.194 USER MOD Single : A 21 THR OG1 : rot 58:sc= 0.203 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 15:sc= -0.839 USER MOD Single : A 46 MET CE :methyl -168:sc= -0.273 (180deg=-0.703) USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.8 USER MOD Single : A 54 SER OG : rot 79:sc= 1.1 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.306 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 70 THR OG1 : rot 118:sc= -0.363 USER MOD Single : A 79 ASN : amide:sc= 2.02 K(o=2,f=-8.5!) USER MOD Single : A 87 SXO O33 : rot -4:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.294 10.482 -2.072 1.00 3.98 N ATOM 2 CA MET A 1 -17.715 11.093 -0.791 1.00 3.18 C ATOM 3 C MET A 1 -16.903 10.519 0.369 1.00 2.64 C ATOM 4 O MET A 1 -16.476 11.254 1.261 1.00 2.90 O ATOM 5 CB MET A 1 -19.209 10.858 -0.550 1.00 3.46 C ATOM 6 CG MET A 1 -19.713 11.425 0.770 1.00 3.84 C ATOM 7 SD MET A 1 -21.458 11.071 1.056 1.00 4.73 S ATOM 8 CE MET A 1 -21.675 11.752 2.699 1.00 5.02 C ATOM 0 H1 MET A 1 -16.869 11.210 -2.681 1.00 3.98 H new ATOM 0 H2 MET A 1 -16.595 9.734 -1.887 1.00 3.98 H new ATOM 0 H3 MET A 1 -18.122 10.072 -2.550 1.00 3.98 H new ATOM 0 HA MET A 1 -17.533 12.166 -0.849 1.00 3.18 H new ATOM 0 HB2 MET A 1 -19.775 11.306 -1.367 1.00 3.46 H new ATOM 0 HB3 MET A 1 -19.408 9.787 -0.574 1.00 3.46 H new ATOM 0 HG2 MET A 1 -19.123 11.011 1.588 1.00 3.84 H new ATOM 0 HG3 MET A 1 -19.559 12.504 0.780 1.00 3.84 H new ATOM 0 HE1 MET A 1 -22.708 11.610 3.018 1.00 5.02 H new ATOM 0 HE2 MET A 1 -21.007 11.244 3.395 1.00 5.02 H new ATOM 0 HE3 MET A 1 -21.443 12.817 2.685 1.00 5.02 H new ATOM 20 N ALA A 2 -16.696 9.203 0.355 1.00 2.32 N ATOM 21 CA ALA A 2 -15.929 8.536 1.403 1.00 1.93 C ATOM 22 C ALA A 2 -14.450 8.905 1.324 1.00 1.46 C ATOM 23 O ALA A 2 -13.967 9.349 0.281 1.00 1.43 O ATOM 24 CB ALA A 2 -16.101 7.028 1.306 1.00 2.06 C ATOM 0 H ALA A 2 -17.049 8.579 -0.371 1.00 2.32 H new ATOM 0 HA ALA A 2 -16.311 8.875 2.366 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -15.523 6.544 2.094 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -17.155 6.774 1.421 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.748 6.683 0.334 1.00 2.06 H new ATOM 30 N THR A 3 -13.741 8.725 2.428 1.00 1.35 N ATOM 31 CA THR A 3 -12.317 9.013 2.480 1.00 1.09 C ATOM 32 C THR A 3 -11.523 7.935 1.730 1.00 0.90 C ATOM 33 O THR A 3 -11.395 6.796 2.177 1.00 1.14 O ATOM 34 CB THR A 3 -11.835 9.139 3.949 1.00 1.49 C ATOM 35 OG1 THR A 3 -10.419 9.356 4.000 1.00 2.10 O ATOM 36 CG2 THR A 3 -12.198 7.911 4.770 1.00 2.10 C ATOM 0 H THR A 3 -14.132 8.379 3.304 1.00 1.35 H new ATOM 0 HA THR A 3 -12.140 9.969 1.987 1.00 1.09 H new ATOM 0 HB THR A 3 -12.346 9.999 4.382 1.00 1.49 H new ATOM 0 HG1 THR A 3 -10.134 9.435 4.934 1.00 2.10 H new ATOM 0 HG21 THR A 3 -11.843 8.039 5.793 1.00 2.10 H new ATOM 0 HG22 THR A 3 -13.281 7.784 4.775 1.00 2.10 H new ATOM 0 HG23 THR A 3 -11.731 7.029 4.331 1.00 2.10 H new ATOM 44 N LEU A 4 -11.032 8.302 0.555 1.00 0.64 N ATOM 45 CA LEU A 4 -10.292 7.372 -0.289 1.00 0.51 C ATOM 46 C LEU A 4 -8.823 7.316 0.111 1.00 0.45 C ATOM 47 O LEU A 4 -8.334 8.165 0.854 1.00 0.52 O ATOM 48 CB LEU A 4 -10.402 7.776 -1.761 1.00 0.57 C ATOM 49 CG LEU A 4 -11.822 7.819 -2.324 1.00 0.58 C ATOM 50 CD1 LEU A 4 -11.792 8.192 -3.794 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.517 6.481 -2.133 1.00 0.84 C ATOM 0 H LEU A 4 -11.132 9.238 0.163 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.731 6.384 -0.152 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.950 8.760 -1.885 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -9.814 7.078 -2.357 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.385 8.578 -1.780 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -12.810 8.219 -4.183 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.332 9.173 -3.911 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.212 7.452 -4.345 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.526 6.534 -2.541 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -11.957 5.703 -2.651 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.567 6.245 -1.070 1.00 0.84 H new ATOM 63 N LEU A 5 -8.129 6.306 -0.390 1.00 0.39 N ATOM 64 CA LEU A 5 -6.695 6.210 -0.219 1.00 0.35 C ATOM 65 C LEU A 5 -6.039 6.995 -1.350 1.00 0.35 C ATOM 66 O LEU A 5 -6.289 6.720 -2.525 1.00 0.41 O ATOM 67 CB LEU A 5 -6.266 4.734 -0.262 1.00 0.38 C ATOM 68 CG LEU A 5 -4.971 4.382 0.482 1.00 0.58 C ATOM 69 CD1 LEU A 5 -4.746 2.879 0.446 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.769 5.111 -0.104 1.00 0.98 C ATOM 0 H LEU A 5 -8.542 5.539 -0.921 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.390 6.621 0.743 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.074 4.130 0.152 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.152 4.441 -1.306 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.079 4.707 1.517 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -3.825 2.636 0.976 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.585 2.374 0.926 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.667 2.548 -0.589 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.871 4.836 0.450 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.649 4.832 -1.151 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -3.925 6.187 -0.030 1.00 0.98 H new ATOM 82 N THR A 6 -5.229 7.979 -1.009 1.00 0.39 N ATOM 83 CA THR A 6 -4.597 8.814 -2.013 1.00 0.49 C ATOM 84 C THR A 6 -3.104 8.514 -2.166 1.00 0.42 C ATOM 85 O THR A 6 -2.479 7.931 -1.277 1.00 0.41 O ATOM 86 CB THR A 6 -4.820 10.299 -1.695 1.00 0.69 C ATOM 87 OG1 THR A 6 -5.135 10.452 -0.306 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.953 10.861 -2.532 1.00 1.03 C ATOM 0 H THR A 6 -4.993 8.220 -0.046 1.00 0.39 H new ATOM 0 HA THR A 6 -5.068 8.580 -2.968 1.00 0.49 H new ATOM 0 HB THR A 6 -3.906 10.844 -1.929 1.00 0.69 H new ATOM 0 HG1 THR A 6 -4.307 10.472 0.217 1.00 1.21 H new ATOM 0 HG21 THR A 6 -6.095 11.915 -2.292 1.00 1.03 H new ATOM 0 HG22 THR A 6 -5.709 10.760 -3.590 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.870 10.313 -2.317 1.00 1.03 H new ATOM 96 N THR A 7 -2.549 8.925 -3.306 1.00 0.47 N ATOM 97 CA THR A 7 -1.165 8.635 -3.669 1.00 0.45 C ATOM 98 C THR A 7 -0.161 9.124 -2.625 1.00 0.34 C ATOM 99 O THR A 7 0.694 8.357 -2.184 1.00 0.33 O ATOM 100 CB THR A 7 -0.839 9.244 -5.044 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.607 10.441 -5.238 1.00 1.30 O ATOM 102 CG2 THR A 7 -1.145 8.256 -6.158 1.00 1.06 C ATOM 0 H THR A 7 -3.051 9.471 -4.006 1.00 0.47 H new ATOM 0 HA THR A 7 -1.071 7.550 -3.714 1.00 0.45 H new ATOM 0 HB THR A 7 0.224 9.482 -5.073 1.00 0.59 H new ATOM 0 HG1 THR A 7 -1.396 10.827 -6.114 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.907 8.708 -7.121 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.545 7.356 -6.021 1.00 1.06 H new ATOM 0 HG23 THR A 7 -2.203 7.994 -6.132 1.00 1.06 H new ATOM 110 N ASP A 8 -0.260 10.392 -2.238 1.00 0.41 N ATOM 111 CA ASP A 8 0.667 10.965 -1.256 1.00 0.46 C ATOM 112 C ASP A 8 0.621 10.199 0.059 1.00 0.40 C ATOM 113 O ASP A 8 1.657 9.884 0.647 1.00 0.48 O ATOM 114 CB ASP A 8 0.346 12.438 -0.998 1.00 0.64 C ATOM 115 CG ASP A 8 1.138 13.009 0.165 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.364 13.193 0.020 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.533 13.287 1.225 1.00 2.19 O ATOM 0 H ASP A 8 -0.966 11.042 -2.584 1.00 0.41 H new ATOM 0 HA ASP A 8 1.671 10.885 -1.674 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.559 13.016 -1.897 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -0.720 12.545 -0.795 1.00 0.64 H new ATOM 122 N ASP A 9 -0.585 9.894 0.505 1.00 0.40 N ATOM 123 CA ASP A 9 -0.786 9.180 1.761 1.00 0.44 C ATOM 124 C ASP A 9 -0.221 7.769 1.678 1.00 0.38 C ATOM 125 O ASP A 9 0.268 7.226 2.670 1.00 0.44 O ATOM 126 CB ASP A 9 -2.268 9.140 2.119 1.00 0.58 C ATOM 127 CG ASP A 9 -2.859 10.528 2.239 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.208 11.126 1.203 1.00 1.12 O ATOM 129 OD2 ASP A 9 -2.993 11.020 3.380 1.00 1.12 O ATOM 0 H ASP A 9 -1.448 10.130 0.015 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.252 9.715 2.546 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -2.810 8.580 1.357 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.399 8.607 3.061 1.00 0.58 H new ATOM 134 N LEU A 10 -0.294 7.177 0.490 1.00 0.35 N ATOM 135 CA LEU A 10 0.315 5.878 0.241 1.00 0.37 C ATOM 136 C LEU A 10 1.835 6.001 0.275 1.00 0.37 C ATOM 137 O LEU A 10 2.519 5.174 0.877 1.00 0.42 O ATOM 138 CB LEU A 10 -0.147 5.321 -1.112 1.00 0.42 C ATOM 139 CG LEU A 10 0.367 3.918 -1.450 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.103 2.911 -0.410 1.00 1.08 C ATOM 141 CD2 LEU A 10 -0.093 3.503 -2.843 1.00 0.79 C ATOM 0 H LEU A 10 -0.771 7.579 -0.317 1.00 0.35 H new ATOM 0 HA LEU A 10 0.000 5.186 1.022 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.237 5.305 -1.127 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.172 6.006 -1.897 1.00 0.42 H new ATOM 0 HG LEU A 10 1.457 3.939 -1.439 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.272 1.920 -0.667 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.274 3.198 0.571 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.193 2.892 -0.388 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.281 2.504 -3.067 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -1.182 3.500 -2.880 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.293 4.208 -3.579 1.00 0.79 H new ATOM 153 N ARG A 11 2.349 7.048 -0.364 1.00 0.37 N ATOM 154 CA ARG A 11 3.779 7.347 -0.350 1.00 0.45 C ATOM 155 C ARG A 11 4.297 7.457 1.086 1.00 0.48 C ATOM 156 O ARG A 11 5.360 6.933 1.421 1.00 0.60 O ATOM 157 CB ARG A 11 4.036 8.651 -1.113 1.00 0.52 C ATOM 158 CG ARG A 11 5.456 9.177 -0.987 1.00 0.67 C ATOM 159 CD ARG A 11 5.701 10.369 -1.906 1.00 0.85 C ATOM 160 NE ARG A 11 4.798 11.491 -1.633 1.00 1.04 N ATOM 161 CZ ARG A 11 4.725 12.590 -2.393 1.00 1.36 C ATOM 162 NH1 ARG A 11 5.498 12.723 -3.466 1.00 1.64 N ATOM 163 NH2 ARG A 11 3.883 13.565 -2.079 1.00 2.17 N ATOM 0 H ARG A 11 1.791 7.710 -0.903 1.00 0.37 H new ATOM 0 HA ARG A 11 4.315 6.533 -0.838 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.812 8.492 -2.168 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.345 9.413 -0.752 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.645 9.469 0.046 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.161 8.381 -1.227 1.00 0.67 H new ATOM 0 HD2 ARG A 11 6.732 10.703 -1.793 1.00 0.85 H new ATOM 0 HD3 ARG A 11 5.579 10.054 -2.942 1.00 0.85 H new ATOM 0 HE ARG A 11 4.190 11.431 -0.816 1.00 1.04 H new ATOM 0 HH11 ARG A 11 6.154 11.984 -3.717 1.00 1.64 H new ATOM 0 HH12 ARG A 11 5.435 13.565 -4.039 1.00 1.64 H new ATOM 0 HH21 ARG A 11 3.288 13.479 -1.255 1.00 2.17 H new ATOM 0 HH22 ARG A 11 3.831 14.401 -2.661 1.00 2.17 H new ATOM 177 N ARG A 12 3.525 8.130 1.932 1.00 0.43 N ATOM 178 CA ARG A 12 3.896 8.313 3.332 1.00 0.46 C ATOM 179 C ARG A 12 3.817 7.000 4.109 1.00 0.44 C ATOM 180 O ARG A 12 4.630 6.750 4.998 1.00 0.46 O ATOM 181 CB ARG A 12 2.982 9.343 3.994 1.00 0.53 C ATOM 182 CG ARG A 12 3.114 10.749 3.433 1.00 0.91 C ATOM 183 CD ARG A 12 2.153 11.702 4.128 1.00 1.49 C ATOM 184 NE ARG A 12 2.315 11.674 5.581 1.00 2.06 N ATOM 185 CZ ARG A 12 1.355 11.982 6.452 1.00 2.93 C ATOM 186 NH1 ARG A 12 0.158 12.365 6.024 1.00 3.32 N ATOM 187 NH2 ARG A 12 1.601 11.908 7.753 1.00 3.66 N ATOM 0 H ARG A 12 2.637 8.559 1.673 1.00 0.43 H new ATOM 0 HA ARG A 12 4.927 8.667 3.352 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.948 9.017 3.885 1.00 0.53 H new ATOM 0 HB3 ARG A 12 3.197 9.369 5.062 1.00 0.53 H new ATOM 0 HG2 ARG A 12 4.138 11.101 3.560 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.911 10.738 2.362 1.00 0.91 H new ATOM 0 HD2 ARG A 12 2.319 12.716 3.763 1.00 1.49 H new ATOM 0 HD3 ARG A 12 1.128 11.435 3.872 1.00 1.49 H new ATOM 0 HE ARG A 12 3.224 11.400 5.953 1.00 2.06 H new ATOM 0 HH11 ARG A 12 -0.031 12.425 5.023 1.00 3.32 H new ATOM 0 HH12 ARG A 12 -0.573 12.599 6.696 1.00 3.32 H new ATOM 0 HH21 ARG A 12 2.521 11.617 8.082 1.00 3.66 H new ATOM 0 HH22 ARG A 12 0.870 12.143 8.424 1.00 3.66 H new ATOM 201 N ALA A 13 2.864 6.150 3.736 1.00 0.43 N ATOM 202 CA ALA A 13 2.546 4.949 4.504 1.00 0.44 C ATOM 203 C ALA A 13 3.743 4.012 4.626 1.00 0.43 C ATOM 204 O ALA A 13 4.038 3.516 5.715 1.00 0.47 O ATOM 205 CB ALA A 13 1.371 4.220 3.871 1.00 0.49 C ATOM 0 H ALA A 13 2.294 6.272 2.899 1.00 0.43 H new ATOM 0 HA ALA A 13 2.277 5.266 5.512 1.00 0.44 H new ATOM 0 HB1 ALA A 13 1.142 3.326 4.451 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.501 4.876 3.857 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.627 3.935 2.851 1.00 0.49 H new ATOM 211 N LEU A 14 4.435 3.778 3.519 1.00 0.41 N ATOM 212 CA LEU A 14 5.594 2.890 3.517 1.00 0.45 C ATOM 213 C LEU A 14 6.701 3.446 4.414 1.00 0.47 C ATOM 214 O LEU A 14 7.361 2.700 5.142 1.00 0.53 O ATOM 215 CB LEU A 14 6.127 2.683 2.090 1.00 0.49 C ATOM 216 CG LEU A 14 5.323 1.738 1.185 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.141 0.382 1.845 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.979 2.343 0.811 1.00 0.70 C ATOM 0 H LEU A 14 4.216 4.189 2.612 1.00 0.41 H new ATOM 0 HA LEU A 14 5.275 1.925 3.910 1.00 0.45 H new ATOM 0 HB2 LEU A 14 6.182 3.656 1.603 1.00 0.49 H new ATOM 0 HB3 LEU A 14 7.146 2.303 2.159 1.00 0.49 H new ATOM 0 HG LEU A 14 5.891 1.595 0.265 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.569 -0.270 1.185 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.117 -0.063 2.037 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.606 0.505 2.787 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.434 1.650 0.170 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.401 2.532 1.715 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.138 3.281 0.279 1.00 0.70 H new ATOM 230 N VAL A 15 6.878 4.764 4.383 1.00 0.50 N ATOM 231 CA VAL A 15 7.915 5.426 5.169 1.00 0.57 C ATOM 232 C VAL A 15 7.578 5.375 6.658 1.00 0.60 C ATOM 233 O VAL A 15 8.430 5.047 7.490 1.00 0.71 O ATOM 234 CB VAL A 15 8.089 6.898 4.733 1.00 0.60 C ATOM 235 CG1 VAL A 15 9.202 7.574 5.523 1.00 0.70 C ATOM 236 CG2 VAL A 15 8.362 6.984 3.238 1.00 0.60 C ATOM 0 H VAL A 15 6.313 5.398 3.818 1.00 0.50 H new ATOM 0 HA VAL A 15 8.850 4.894 4.993 1.00 0.57 H new ATOM 0 HB VAL A 15 7.159 7.426 4.944 1.00 0.60 H new ATOM 0 HG11 VAL A 15 9.303 8.609 5.196 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.960 7.551 6.585 1.00 0.70 H new ATOM 0 HG13 VAL A 15 10.141 7.047 5.353 1.00 0.70 H new ATOM 0 HG21 VAL A 15 8.482 8.028 2.949 1.00 0.60 H new ATOM 0 HG22 VAL A 15 9.274 6.436 3.003 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.526 6.550 2.690 1.00 0.60 H new ATOM 246 N GLU A 16 6.333 5.701 6.989 1.00 0.59 N ATOM 247 CA GLU A 16 5.881 5.718 8.379 1.00 0.70 C ATOM 248 C GLU A 16 5.910 4.320 8.993 1.00 0.75 C ATOM 249 O GLU A 16 6.151 4.167 10.189 1.00 0.92 O ATOM 250 CB GLU A 16 4.469 6.304 8.481 1.00 0.86 C ATOM 251 CG GLU A 16 4.379 7.750 8.022 1.00 0.96 C ATOM 252 CD GLU A 16 2.978 8.317 8.125 1.00 1.17 C ATOM 253 OE1 GLU A 16 2.617 8.838 9.201 1.00 1.49 O ATOM 254 OE2 GLU A 16 2.226 8.248 7.130 1.00 1.28 O ATOM 0 H GLU A 16 5.615 5.958 6.312 1.00 0.59 H new ATOM 0 HA GLU A 16 6.570 6.350 8.939 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.788 5.698 7.883 1.00 0.86 H new ATOM 0 HB3 GLU A 16 4.130 6.237 9.515 1.00 0.86 H new ATOM 0 HG2 GLU A 16 5.056 8.359 8.621 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.718 7.819 6.988 1.00 0.96 H new ATOM 261 N SER A 17 5.681 3.304 8.173 1.00 0.68 N ATOM 262 CA SER A 17 5.664 1.930 8.659 1.00 0.78 C ATOM 263 C SER A 17 7.078 1.387 8.831 1.00 0.80 C ATOM 264 O SER A 17 7.365 0.672 9.793 1.00 1.05 O ATOM 265 CB SER A 17 4.868 1.048 7.702 1.00 0.81 C ATOM 266 OG SER A 17 3.563 1.567 7.516 1.00 1.25 O ATOM 0 H SER A 17 5.505 3.403 7.173 1.00 0.68 H new ATOM 0 HA SER A 17 5.183 1.920 9.637 1.00 0.78 H new ATOM 0 HB2 SER A 17 5.381 0.987 6.742 1.00 0.81 H new ATOM 0 HB3 SER A 17 4.809 0.034 8.097 1.00 0.81 H new ATOM 0 HG SER A 17 3.593 2.303 6.869 1.00 1.25 H new ATOM 272 N ALA A 18 7.962 1.731 7.901 1.00 0.74 N ATOM 273 CA ALA A 18 9.348 1.293 7.973 1.00 0.87 C ATOM 274 C ALA A 18 10.067 1.995 9.117 1.00 1.11 C ATOM 275 O ALA A 18 10.978 1.438 9.728 1.00 1.68 O ATOM 276 CB ALA A 18 10.057 1.554 6.655 1.00 1.09 C ATOM 0 H ALA A 18 7.743 2.311 7.091 1.00 0.74 H new ATOM 0 HA ALA A 18 9.363 0.220 8.163 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.092 1.221 6.726 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.554 1.008 5.857 1.00 1.09 H new ATOM 0 HB3 ALA A 18 10.034 2.621 6.435 1.00 1.09 H new ATOM 282 N GLY A 19 9.642 3.218 9.401 1.00 1.18 N ATOM 283 CA GLY A 19 10.216 3.965 10.500 1.00 1.63 C ATOM 284 C GLY A 19 11.322 4.895 10.060 1.00 1.60 C ATOM 285 O GLY A 19 12.492 4.671 10.379 1.00 2.14 O ATOM 0 H GLY A 19 8.908 3.707 8.888 1.00 1.18 H new ATOM 0 HA2 GLY A 19 9.432 4.545 10.988 1.00 1.63 H new ATOM 0 HA3 GLY A 19 10.606 3.269 11.242 1.00 1.63 H new ATOM 289 N GLU A 20 10.940 5.936 9.322 1.00 1.86 N ATOM 290 CA GLU A 20 11.874 6.960 8.855 1.00 2.28 C ATOM 291 C GLU A 20 12.944 6.341 7.946 1.00 2.06 C ATOM 292 O GLU A 20 14.030 5.980 8.403 1.00 2.51 O ATOM 293 CB GLU A 20 12.526 7.681 10.050 1.00 3.28 C ATOM 294 CG GLU A 20 13.367 8.887 9.668 1.00 4.13 C ATOM 295 CD GLU A 20 12.551 9.981 9.009 1.00 4.94 C ATOM 296 OE1 GLU A 20 11.818 10.693 9.728 1.00 5.47 O ATOM 297 OE2 GLU A 20 12.652 10.144 7.775 1.00 5.32 O ATOM 0 H GLU A 20 9.975 6.094 9.031 1.00 1.86 H new ATOM 0 HA GLU A 20 11.317 7.695 8.274 1.00 2.28 H new ATOM 0 HB2 GLU A 20 11.743 8.001 10.737 1.00 3.28 H new ATOM 0 HB3 GLU A 20 13.153 6.971 10.590 1.00 3.28 H new ATOM 0 HG2 GLU A 20 13.850 9.286 10.560 1.00 4.13 H new ATOM 0 HG3 GLU A 20 14.160 8.572 8.990 1.00 4.13 H new ATOM 304 N THR A 21 12.615 6.185 6.668 1.00 2.21 N ATOM 305 CA THR A 21 13.522 5.562 5.714 1.00 2.61 C ATOM 306 C THR A 21 13.466 6.266 4.361 1.00 2.53 C ATOM 307 O THR A 21 12.745 5.839 3.459 1.00 3.19 O ATOM 308 CB THR A 21 13.179 4.074 5.508 1.00 3.61 C ATOM 309 OG1 THR A 21 11.774 3.935 5.268 1.00 3.97 O ATOM 310 CG2 THR A 21 13.591 3.232 6.712 1.00 4.47 C ATOM 0 H THR A 21 11.725 6.483 6.269 1.00 2.21 H new ATOM 0 HA THR A 21 14.526 5.649 6.130 1.00 2.61 H new ATOM 0 HB THR A 21 13.737 3.712 4.645 1.00 3.61 H new ATOM 0 HG1 THR A 21 11.523 4.461 4.480 1.00 3.97 H new ATOM 0 HG21 THR A 21 13.334 2.188 6.531 1.00 4.47 H new ATOM 0 HG22 THR A 21 14.667 3.319 6.866 1.00 4.47 H new ATOM 0 HG23 THR A 21 13.067 3.586 7.600 1.00 4.47 H new ATOM 318 N ASP A 22 14.176 7.370 4.240 1.00 2.22 N ATOM 319 CA ASP A 22 14.281 8.059 2.962 1.00 2.50 C ATOM 320 C ASP A 22 15.436 7.469 2.162 1.00 2.35 C ATOM 321 O ASP A 22 16.294 6.781 2.717 1.00 2.83 O ATOM 322 CB ASP A 22 14.496 9.565 3.161 1.00 3.16 C ATOM 323 CG ASP A 22 15.909 9.898 3.605 1.00 3.77 C ATOM 324 OD1 ASP A 22 16.174 9.866 4.824 1.00 4.40 O ATOM 325 OD2 ASP A 22 16.758 10.193 2.741 1.00 4.01 O ATOM 0 H ASP A 22 14.688 7.810 5.005 1.00 2.22 H new ATOM 0 HA ASP A 22 13.347 7.922 2.416 1.00 2.50 H new ATOM 0 HB2 ASP A 22 14.280 10.086 2.228 1.00 3.16 H new ATOM 0 HB3 ASP A 22 13.789 9.934 3.904 1.00 3.16 H new ATOM 330 N GLY A 23 15.456 7.725 0.864 1.00 2.30 N ATOM 331 CA GLY A 23 16.533 7.228 0.029 1.00 2.50 C ATOM 332 C GLY A 23 16.026 6.402 -1.130 1.00 2.18 C ATOM 333 O GLY A 23 16.348 6.681 -2.284 1.00 2.54 O ATOM 0 H GLY A 23 14.747 8.268 0.372 1.00 2.30 H new ATOM 0 HA2 GLY A 23 17.111 8.069 -0.353 1.00 2.50 H new ATOM 0 HA3 GLY A 23 17.210 6.624 0.634 1.00 2.50 H new ATOM 337 N THR A 24 15.234 5.385 -0.819 1.00 1.95 N ATOM 338 CA THR A 24 14.629 4.543 -1.840 1.00 2.00 C ATOM 339 C THR A 24 13.706 5.374 -2.730 1.00 1.78 C ATOM 340 O THR A 24 13.113 6.357 -2.272 1.00 1.91 O ATOM 341 CB THR A 24 13.825 3.392 -1.195 1.00 2.29 C ATOM 342 OG1 THR A 24 14.614 2.771 -0.169 1.00 3.02 O ATOM 343 CG2 THR A 24 13.429 2.349 -2.232 1.00 2.19 C ATOM 0 H THR A 24 14.995 5.123 0.137 1.00 1.95 H new ATOM 0 HA THR A 24 15.429 4.117 -2.446 1.00 2.00 H new ATOM 0 HB THR A 24 12.915 3.810 -0.764 1.00 2.29 H new ATOM 0 HG1 THR A 24 14.103 2.042 0.241 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.865 1.552 -1.749 1.00 2.19 H new ATOM 0 HG22 THR A 24 12.813 2.816 -3.000 1.00 2.19 H new ATOM 0 HG23 THR A 24 14.326 1.932 -2.690 1.00 2.19 H new ATOM 351 N ASP A 25 13.605 4.996 -3.998 1.00 1.72 N ATOM 352 CA ASP A 25 12.737 5.695 -4.936 1.00 1.73 C ATOM 353 C ASP A 25 11.274 5.435 -4.611 1.00 1.40 C ATOM 354 O ASP A 25 10.652 4.521 -5.146 1.00 1.55 O ATOM 355 CB ASP A 25 13.042 5.286 -6.378 1.00 2.18 C ATOM 356 CG ASP A 25 14.400 5.762 -6.835 1.00 2.30 C ATOM 357 OD1 ASP A 25 15.404 5.073 -6.550 1.00 2.59 O ATOM 358 OD2 ASP A 25 14.476 6.828 -7.479 1.00 2.76 O ATOM 0 H ASP A 25 14.114 4.209 -4.400 1.00 1.72 H new ATOM 0 HA ASP A 25 12.931 6.763 -4.837 1.00 1.73 H new ATOM 0 HB2 ASP A 25 12.993 4.200 -6.463 1.00 2.18 H new ATOM 0 HB3 ASP A 25 12.276 5.693 -7.038 1.00 2.18 H new ATOM 363 N LEU A 26 10.765 6.222 -3.678 1.00 1.15 N ATOM 364 CA LEU A 26 9.371 6.157 -3.272 1.00 1.01 C ATOM 365 C LEU A 26 8.794 7.571 -3.205 1.00 1.04 C ATOM 366 O LEU A 26 7.607 7.769 -2.947 1.00 1.18 O ATOM 367 CB LEU A 26 9.269 5.479 -1.900 1.00 1.12 C ATOM 368 CG LEU A 26 7.852 5.249 -1.368 1.00 0.89 C ATOM 369 CD1 LEU A 26 7.144 4.162 -2.159 1.00 1.28 C ATOM 370 CD2 LEU A 26 7.900 4.890 0.106 1.00 1.60 C ATOM 0 H LEU A 26 11.309 6.926 -3.179 1.00 1.15 H new ATOM 0 HA LEU A 26 8.803 5.575 -3.998 1.00 1.01 H new ATOM 0 HB2 LEU A 26 9.776 4.516 -1.954 1.00 1.12 H new ATOM 0 HB3 LEU A 26 9.813 6.085 -1.176 1.00 1.12 H new ATOM 0 HG LEU A 26 7.286 6.173 -1.487 1.00 0.89 H new ATOM 0 HD11 LEU A 26 6.140 4.018 -1.761 1.00 1.28 H new ATOM 0 HD12 LEU A 26 7.081 4.457 -3.206 1.00 1.28 H new ATOM 0 HD13 LEU A 26 7.703 3.230 -2.078 1.00 1.28 H new ATOM 0 HD21 LEU A 26 6.887 4.729 0.474 1.00 1.60 H new ATOM 0 HD22 LEU A 26 8.484 3.980 0.240 1.00 1.60 H new ATOM 0 HD23 LEU A 26 8.363 5.704 0.664 1.00 1.60 H new ATOM 382 N SER A 27 9.647 8.551 -3.466 1.00 1.09 N ATOM 383 CA SER A 27 9.290 9.949 -3.296 1.00 1.24 C ATOM 384 C SER A 27 8.541 10.477 -4.516 1.00 1.33 C ATOM 385 O SER A 27 7.494 11.112 -4.386 1.00 1.85 O ATOM 386 CB SER A 27 10.556 10.777 -3.051 1.00 1.39 C ATOM 387 OG SER A 27 11.344 10.205 -2.017 1.00 2.08 O ATOM 0 H SER A 27 10.599 8.400 -3.799 1.00 1.09 H new ATOM 0 HA SER A 27 8.628 10.035 -2.434 1.00 1.24 H new ATOM 0 HB2 SER A 27 11.141 10.835 -3.969 1.00 1.39 H new ATOM 0 HB3 SER A 27 10.282 11.797 -2.783 1.00 1.39 H new ATOM 0 HG SER A 27 12.147 10.749 -1.879 1.00 2.08 H new ATOM 393 N GLY A 28 9.072 10.206 -5.700 1.00 1.34 N ATOM 394 CA GLY A 28 8.480 10.739 -6.908 1.00 1.58 C ATOM 395 C GLY A 28 7.678 9.713 -7.677 1.00 1.41 C ATOM 396 O GLY A 28 6.700 10.056 -8.339 1.00 1.84 O ATOM 0 H GLY A 28 9.900 9.628 -5.845 1.00 1.34 H new ATOM 0 HA2 GLY A 28 7.834 11.578 -6.649 1.00 1.58 H new ATOM 0 HA3 GLY A 28 9.269 11.131 -7.550 1.00 1.58 H new ATOM 400 N ASP A 29 8.079 8.453 -7.594 1.00 1.35 N ATOM 401 CA ASP A 29 7.447 7.407 -8.390 1.00 1.28 C ATOM 402 C ASP A 29 7.435 6.097 -7.619 1.00 1.21 C ATOM 403 O ASP A 29 8.375 5.822 -6.873 1.00 1.84 O ATOM 404 CB ASP A 29 8.209 7.222 -9.700 1.00 1.54 C ATOM 405 CG ASP A 29 7.293 6.952 -10.870 1.00 2.18 C ATOM 406 OD1 ASP A 29 6.482 6.008 -10.782 1.00 2.77 O ATOM 407 OD2 ASP A 29 7.396 7.660 -11.886 1.00 2.64 O ATOM 0 H ASP A 29 8.834 8.130 -6.989 1.00 1.35 H new ATOM 0 HA ASP A 29 6.420 7.702 -8.606 1.00 1.28 H new ATOM 0 HB2 ASP A 29 8.798 8.116 -9.903 1.00 1.54 H new ATOM 0 HB3 ASP A 29 8.911 6.395 -9.594 1.00 1.54 H new ATOM 412 N PHE A 30 6.384 5.296 -7.790 1.00 0.72 N ATOM 413 CA PHE A 30 6.273 4.036 -7.053 1.00 0.64 C ATOM 414 C PHE A 30 5.136 3.136 -7.551 1.00 0.53 C ATOM 415 O PHE A 30 5.228 1.917 -7.441 1.00 0.50 O ATOM 416 CB PHE A 30 6.081 4.306 -5.553 1.00 0.64 C ATOM 417 CG PHE A 30 4.955 5.260 -5.229 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.177 6.627 -5.158 1.00 0.76 C ATOM 419 CD2 PHE A 30 3.672 4.785 -5.005 1.00 0.70 C ATOM 420 CE1 PHE A 30 4.143 7.497 -4.862 1.00 0.92 C ATOM 421 CE2 PHE A 30 2.635 5.650 -4.711 1.00 0.87 C ATOM 422 CZ PHE A 30 2.889 7.023 -4.623 1.00 0.92 C ATOM 0 H PHE A 30 5.608 5.492 -8.422 1.00 0.72 H new ATOM 0 HA PHE A 30 7.208 3.504 -7.228 1.00 0.64 H new ATOM 0 HB2 PHE A 30 5.895 3.359 -5.047 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.009 4.708 -5.147 1.00 0.64 H new ATOM 0 HD1 PHE A 30 6.168 7.017 -5.336 1.00 0.76 H new ATOM 0 HD2 PHE A 30 3.480 3.724 -5.061 1.00 0.70 H new ATOM 0 HE1 PHE A 30 4.332 8.560 -4.820 1.00 0.92 H new ATOM 0 HE2 PHE A 30 1.637 5.269 -4.551 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.092 7.705 -4.366 1.00 0.92 H new ATOM 432 N LEU A 31 4.072 3.732 -8.088 1.00 0.50 N ATOM 433 CA LEU A 31 2.835 2.997 -8.402 1.00 0.45 C ATOM 434 C LEU A 31 3.047 1.772 -9.300 1.00 0.41 C ATOM 435 O LEU A 31 2.320 0.784 -9.173 1.00 0.43 O ATOM 436 CB LEU A 31 1.788 3.919 -9.026 1.00 0.52 C ATOM 437 CG LEU A 31 1.112 4.891 -8.053 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.105 5.755 -8.782 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.432 4.139 -6.920 1.00 0.43 C ATOM 0 H LEU A 31 4.036 4.725 -8.317 1.00 0.50 H new ATOM 0 HA LEU A 31 2.475 2.624 -7.443 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.262 4.496 -9.820 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.019 3.305 -9.494 1.00 0.52 H new ATOM 0 HG LEU A 31 1.883 5.532 -7.626 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.366 6.439 -8.076 1.00 0.78 H new ATOM 0 HD12 LEU A 31 0.612 6.327 -9.559 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.657 5.121 -9.236 1.00 0.78 H new ATOM 0 HD21 LEU A 31 -0.040 4.851 -6.243 1.00 0.43 H new ATOM 0 HD22 LEU A 31 -0.325 3.471 -7.330 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.173 3.556 -6.374 1.00 0.43 H new ATOM 451 N ASP A 32 4.014 1.832 -10.209 1.00 0.41 N ATOM 452 CA ASP A 32 4.244 0.722 -11.137 1.00 0.43 C ATOM 453 C ASP A 32 5.451 -0.115 -10.720 1.00 0.42 C ATOM 454 O ASP A 32 5.848 -1.042 -11.428 1.00 0.51 O ATOM 455 CB ASP A 32 4.427 1.229 -12.571 1.00 0.56 C ATOM 456 CG ASP A 32 5.734 1.968 -12.778 1.00 1.39 C ATOM 457 OD1 ASP A 32 5.882 3.079 -12.237 1.00 2.29 O ATOM 458 OD2 ASP A 32 6.612 1.441 -13.493 1.00 1.73 O ATOM 0 H ASP A 32 4.646 2.624 -10.326 1.00 0.41 H new ATOM 0 HA ASP A 32 3.359 0.087 -11.102 1.00 0.43 H new ATOM 0 HB2 ASP A 32 4.382 0.384 -13.257 1.00 0.56 H new ATOM 0 HB3 ASP A 32 3.598 1.890 -12.825 1.00 0.56 H new ATOM 463 N LEU A 33 6.036 0.211 -9.577 1.00 0.43 N ATOM 464 CA LEU A 33 7.151 -0.564 -9.047 1.00 0.48 C ATOM 465 C LEU A 33 6.646 -1.674 -8.131 1.00 0.42 C ATOM 466 O LEU A 33 5.831 -1.438 -7.246 1.00 0.46 O ATOM 467 CB LEU A 33 8.131 0.346 -8.299 1.00 0.56 C ATOM 468 CG LEU A 33 8.834 1.396 -9.163 1.00 0.68 C ATOM 469 CD1 LEU A 33 9.680 2.315 -8.299 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.690 0.726 -10.230 1.00 1.01 C ATOM 0 H LEU A 33 5.759 1.005 -8.999 1.00 0.43 H new ATOM 0 HA LEU A 33 7.678 -1.023 -9.884 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.591 0.857 -7.502 1.00 0.56 H new ATOM 0 HB3 LEU A 33 8.889 -0.276 -7.823 1.00 0.56 H new ATOM 0 HG LEU A 33 8.073 1.996 -9.662 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.173 3.055 -8.929 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.043 2.822 -7.574 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.433 1.728 -7.772 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.182 1.489 -10.834 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.444 0.100 -9.752 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.058 0.109 -10.869 1.00 1.01 H new ATOM 482 N ARG A 34 7.128 -2.888 -8.356 1.00 0.40 N ATOM 483 CA ARG A 34 6.718 -4.036 -7.554 1.00 0.39 C ATOM 484 C ARG A 34 7.295 -3.939 -6.144 1.00 0.36 C ATOM 485 O ARG A 34 8.433 -3.501 -5.966 1.00 0.42 O ATOM 486 CB ARG A 34 7.179 -5.336 -8.216 1.00 0.50 C ATOM 487 CG ARG A 34 6.575 -5.564 -9.591 1.00 0.66 C ATOM 488 CD ARG A 34 7.180 -6.782 -10.269 1.00 0.80 C ATOM 489 NE ARG A 34 6.904 -8.025 -9.550 1.00 1.41 N ATOM 490 CZ ARG A 34 7.437 -9.204 -9.866 1.00 1.84 C ATOM 491 NH1 ARG A 34 8.330 -9.285 -10.848 1.00 1.72 N ATOM 492 NH2 ARG A 34 7.096 -10.293 -9.184 1.00 2.88 N ATOM 0 H ARG A 34 7.804 -3.105 -9.088 1.00 0.40 H new ATOM 0 HA ARG A 34 5.630 -4.037 -7.488 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.265 -5.325 -8.303 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.919 -6.175 -7.570 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.497 -5.695 -9.499 1.00 0.66 H new ATOM 0 HG3 ARG A 34 6.737 -4.683 -10.212 1.00 0.66 H new ATOM 0 HD2 ARG A 34 6.789 -6.860 -11.283 1.00 0.80 H new ATOM 0 HD3 ARG A 34 8.258 -6.648 -10.353 1.00 0.80 H new ATOM 0 HE ARG A 34 6.263 -7.987 -8.757 1.00 1.41 H new ATOM 0 HH11 ARG A 34 8.605 -8.445 -11.357 1.00 1.72 H new ATOM 0 HH12 ARG A 34 8.740 -10.187 -11.092 1.00 1.72 H new ATOM 0 HH21 ARG A 34 6.426 -10.226 -8.418 1.00 2.88 H new ATOM 0 HH22 ARG A 34 7.505 -11.196 -9.427 1.00 2.88 H new ATOM 506 N PHE A 35 6.502 -4.329 -5.151 1.00 0.36 N ATOM 507 CA PHE A 35 6.949 -4.335 -3.756 1.00 0.39 C ATOM 508 C PHE A 35 8.234 -5.143 -3.595 1.00 0.46 C ATOM 509 O PHE A 35 9.138 -4.755 -2.848 1.00 0.49 O ATOM 510 CB PHE A 35 5.858 -4.894 -2.837 1.00 0.45 C ATOM 511 CG PHE A 35 4.592 -4.080 -2.836 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.613 -2.743 -2.469 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.384 -4.650 -3.210 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.453 -1.991 -2.475 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.222 -3.901 -3.219 1.00 0.59 C ATOM 516 CZ PHE A 35 2.250 -2.581 -2.819 1.00 0.59 C ATOM 0 H PHE A 35 5.542 -4.647 -5.284 1.00 0.36 H new ATOM 0 HA PHE A 35 7.152 -3.303 -3.470 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.624 -5.913 -3.144 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.245 -4.949 -1.820 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.546 -2.284 -2.175 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.351 -5.691 -3.497 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.486 -0.944 -2.211 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.293 -4.349 -3.539 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.335 -2.009 -2.775 1.00 0.59 H new ATOM 526 N GLU A 36 8.304 -6.267 -4.301 1.00 0.59 N ATOM 527 CA GLU A 36 9.499 -7.105 -4.312 1.00 0.76 C ATOM 528 C GLU A 36 10.718 -6.323 -4.798 1.00 0.71 C ATOM 529 O GLU A 36 11.823 -6.489 -4.282 1.00 0.80 O ATOM 530 CB GLU A 36 9.287 -8.328 -5.213 1.00 1.00 C ATOM 531 CG GLU A 36 8.298 -9.342 -4.664 1.00 1.26 C ATOM 532 CD GLU A 36 8.817 -10.054 -3.429 1.00 1.89 C ATOM 533 OE1 GLU A 36 9.641 -10.978 -3.574 1.00 2.28 O ATOM 534 OE2 GLU A 36 8.394 -9.694 -2.312 1.00 2.60 O ATOM 0 H GLU A 36 7.541 -6.621 -4.878 1.00 0.59 H new ATOM 0 HA GLU A 36 9.680 -7.434 -3.289 1.00 0.76 H new ATOM 0 HB2 GLU A 36 8.940 -7.990 -6.189 1.00 1.00 H new ATOM 0 HB3 GLU A 36 10.247 -8.821 -5.369 1.00 1.00 H new ATOM 0 HG2 GLU A 36 7.363 -8.837 -4.422 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.072 -10.078 -5.435 1.00 1.26 H new ATOM 541 N ASP A 37 10.502 -5.443 -5.767 1.00 0.65 N ATOM 542 CA ASP A 37 11.604 -4.740 -6.419 1.00 0.74 C ATOM 543 C ASP A 37 12.021 -3.493 -5.651 1.00 0.66 C ATOM 544 O ASP A 37 13.115 -2.969 -5.858 1.00 0.75 O ATOM 545 CB ASP A 37 11.235 -4.361 -7.857 1.00 0.86 C ATOM 546 CG ASP A 37 11.373 -5.524 -8.816 1.00 1.28 C ATOM 547 OD1 ASP A 37 12.507 -5.832 -9.237 1.00 1.38 O ATOM 548 OD2 ASP A 37 10.340 -6.135 -9.160 1.00 2.03 O ATOM 0 H ASP A 37 9.577 -5.198 -6.120 1.00 0.65 H new ATOM 0 HA ASP A 37 12.451 -5.426 -6.433 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.209 -3.994 -7.881 1.00 0.86 H new ATOM 0 HB3 ASP A 37 11.874 -3.543 -8.189 1.00 0.86 H new ATOM 553 N ILE A 38 11.153 -3.002 -4.781 1.00 0.54 N ATOM 554 CA ILE A 38 11.494 -1.846 -3.965 1.00 0.54 C ATOM 555 C ILE A 38 12.013 -2.270 -2.590 1.00 0.50 C ATOM 556 O ILE A 38 12.185 -1.440 -1.696 1.00 0.55 O ATOM 557 CB ILE A 38 10.309 -0.866 -3.817 1.00 0.55 C ATOM 558 CG1 ILE A 38 9.053 -1.591 -3.326 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.045 -0.166 -5.143 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.869 -0.674 -3.109 1.00 0.57 C ATOM 0 H ILE A 38 10.219 -3.379 -4.622 1.00 0.54 H new ATOM 0 HA ILE A 38 12.292 -1.319 -4.488 1.00 0.54 H new ATOM 0 HB ILE A 38 10.571 -0.117 -3.070 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.780 -2.358 -4.051 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.281 -2.103 -2.391 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.208 0.523 -5.030 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.934 0.388 -5.445 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.804 -0.908 -5.904 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.016 -1.257 -2.762 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.123 0.078 -2.362 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.614 -0.181 -4.047 1.00 0.57 H new ATOM 572 N GLY A 39 12.288 -3.565 -2.444 1.00 0.53 N ATOM 573 CA GLY A 39 12.891 -4.080 -1.226 1.00 0.58 C ATOM 574 C GLY A 39 11.983 -3.989 -0.010 1.00 0.51 C ATOM 575 O GLY A 39 12.396 -3.492 1.040 1.00 0.62 O ATOM 0 H GLY A 39 12.102 -4.272 -3.155 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.172 -5.122 -1.382 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.810 -3.529 -1.025 1.00 0.58 H new ATOM 579 N TYR A 40 10.750 -4.454 -0.142 1.00 0.47 N ATOM 580 CA TYR A 40 9.824 -4.473 0.983 1.00 0.47 C ATOM 581 C TYR A 40 9.406 -5.896 1.320 1.00 0.55 C ATOM 582 O TYR A 40 8.764 -6.575 0.518 1.00 0.71 O ATOM 583 CB TYR A 40 8.596 -3.607 0.700 1.00 0.47 C ATOM 584 CG TYR A 40 8.795 -2.153 1.062 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.346 -1.255 0.160 1.00 0.48 C ATOM 586 CD2 TYR A 40 8.434 -1.682 2.316 1.00 0.49 C ATOM 587 CE1 TYR A 40 9.533 0.070 0.497 1.00 0.52 C ATOM 588 CE2 TYR A 40 8.615 -0.359 2.661 1.00 0.53 C ATOM 589 CZ TYR A 40 9.166 0.514 1.747 1.00 0.53 C ATOM 590 OH TYR A 40 9.351 1.835 2.086 1.00 0.61 O ATOM 0 H TYR A 40 10.367 -4.822 -1.013 1.00 0.47 H new ATOM 0 HA TYR A 40 10.343 -4.055 1.846 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.344 -3.680 -0.358 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.746 -4.000 1.258 1.00 0.47 H new ATOM 0 HD1 TYR A 40 9.634 -1.599 -0.823 1.00 0.48 H new ATOM 0 HD2 TYR A 40 8.004 -2.363 3.035 1.00 0.49 H new ATOM 0 HE1 TYR A 40 9.965 0.755 -0.217 1.00 0.52 H new ATOM 0 HE2 TYR A 40 8.327 -0.009 3.641 1.00 0.53 H new ATOM 0 HH TYR A 40 9.521 2.360 1.276 1.00 0.61 H new ATOM 600 N ASP A 41 9.798 -6.336 2.510 1.00 0.58 N ATOM 601 CA ASP A 41 9.490 -7.680 2.990 1.00 0.71 C ATOM 602 C ASP A 41 7.993 -7.858 3.175 1.00 0.66 C ATOM 603 O ASP A 41 7.268 -6.892 3.420 1.00 0.93 O ATOM 604 CB ASP A 41 10.186 -7.949 4.331 1.00 0.89 C ATOM 605 CG ASP A 41 11.674 -7.686 4.291 1.00 1.40 C ATOM 606 OD1 ASP A 41 12.076 -6.517 4.478 1.00 1.93 O ATOM 607 OD2 ASP A 41 12.445 -8.646 4.095 1.00 1.82 O ATOM 0 H ASP A 41 10.337 -5.774 3.169 1.00 0.58 H new ATOM 0 HA ASP A 41 9.851 -8.385 2.241 1.00 0.71 H new ATOM 0 HB2 ASP A 41 9.733 -7.323 5.100 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.014 -8.986 4.621 1.00 0.89 H new ATOM 612 N SER A 42 7.543 -9.100 3.067 1.00 0.63 N ATOM 613 CA SER A 42 6.137 -9.443 3.261 1.00 0.63 C ATOM 614 C SER A 42 5.613 -8.933 4.604 1.00 0.54 C ATOM 615 O SER A 42 4.517 -8.377 4.685 1.00 0.50 O ATOM 616 CB SER A 42 5.964 -10.956 3.164 1.00 0.77 C ATOM 617 OG SER A 42 6.933 -11.625 4.029 1.00 0.91 O ATOM 0 H SER A 42 8.138 -9.898 2.843 1.00 0.63 H new ATOM 0 HA SER A 42 5.555 -8.957 2.478 1.00 0.63 H new ATOM 0 HB2 SER A 42 4.951 -11.234 3.455 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.100 -11.281 2.132 1.00 0.77 H new ATOM 622 N LEU A 43 6.405 -9.116 5.655 1.00 0.57 N ATOM 623 CA LEU A 43 6.016 -8.674 6.988 1.00 0.57 C ATOM 624 C LEU A 43 5.886 -7.155 7.031 1.00 0.48 C ATOM 625 O LEU A 43 4.903 -6.624 7.539 1.00 0.49 O ATOM 626 CB LEU A 43 7.026 -9.148 8.035 1.00 0.68 C ATOM 627 CG LEU A 43 6.671 -8.799 9.485 1.00 0.78 C ATOM 628 CD1 LEU A 43 5.389 -9.500 9.904 1.00 0.90 C ATOM 629 CD2 LEU A 43 7.810 -9.168 10.419 1.00 1.32 C ATOM 0 H LEU A 43 7.319 -9.567 5.609 1.00 0.57 H new ATOM 0 HA LEU A 43 5.047 -9.115 7.221 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.130 -10.230 7.953 1.00 0.68 H new ATOM 0 HB3 LEU A 43 7.999 -8.715 7.801 1.00 0.68 H new ATOM 0 HG LEU A 43 6.511 -7.723 9.549 1.00 0.78 H new ATOM 0 HD11 LEU A 43 5.153 -9.240 10.936 1.00 0.90 H new ATOM 0 HD12 LEU A 43 4.573 -9.184 9.254 1.00 0.90 H new ATOM 0 HD13 LEU A 43 5.521 -10.579 9.822 1.00 0.90 H new ATOM 0 HD21 LEU A 43 7.538 -8.912 11.443 1.00 1.32 H new ATOM 0 HD22 LEU A 43 8.004 -10.239 10.351 1.00 1.32 H new ATOM 0 HD23 LEU A 43 8.707 -8.618 10.134 1.00 1.32 H new ATOM 641 N ALA A 44 6.869 -6.460 6.475 1.00 0.44 N ATOM 642 CA ALA A 44 6.835 -5.003 6.428 1.00 0.41 C ATOM 643 C ALA A 44 5.667 -4.515 5.577 1.00 0.34 C ATOM 644 O ALA A 44 5.128 -3.425 5.789 1.00 0.36 O ATOM 645 CB ALA A 44 8.146 -4.465 5.886 1.00 0.47 C ATOM 0 H ALA A 44 7.697 -6.879 6.052 1.00 0.44 H new ATOM 0 HA ALA A 44 6.695 -4.630 7.443 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.108 -3.376 5.856 1.00 0.47 H new ATOM 0 HB2 ALA A 44 8.964 -4.782 6.533 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.309 -4.850 4.879 1.00 0.47 H new ATOM 651 N LEU A 45 5.278 -5.336 4.613 1.00 0.35 N ATOM 652 CA LEU A 45 4.162 -5.017 3.738 1.00 0.35 C ATOM 653 C LEU A 45 2.840 -5.087 4.504 1.00 0.34 C ATOM 654 O LEU A 45 1.994 -4.201 4.375 1.00 0.36 O ATOM 655 CB LEU A 45 4.147 -5.973 2.538 1.00 0.43 C ATOM 656 CG LEU A 45 3.155 -5.618 1.424 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.472 -4.251 0.837 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.171 -6.675 0.327 1.00 0.74 C ATOM 0 H LEU A 45 5.722 -6.233 4.417 1.00 0.35 H new ATOM 0 HA LEU A 45 4.284 -3.998 3.370 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.149 -6.008 2.111 1.00 0.43 H new ATOM 0 HB3 LEU A 45 3.919 -6.976 2.898 1.00 0.43 H new ATOM 0 HG LEU A 45 2.157 -5.587 1.861 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.756 -4.019 0.048 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.408 -3.495 1.620 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.480 -4.258 0.422 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.459 -6.402 -0.452 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.171 -6.740 -0.101 1.00 0.74 H new ATOM 0 HD23 LEU A 45 2.894 -7.641 0.749 1.00 0.74 H new ATOM 670 N MET A 46 2.668 -6.127 5.320 1.00 0.36 N ATOM 671 CA MET A 46 1.453 -6.266 6.121 1.00 0.40 C ATOM 672 C MET A 46 1.443 -5.245 7.256 1.00 0.37 C ATOM 673 O MET A 46 0.380 -4.824 7.714 1.00 0.41 O ATOM 674 CB MET A 46 1.291 -7.693 6.672 1.00 0.49 C ATOM 675 CG MET A 46 2.327 -8.100 7.706 1.00 0.52 C ATOM 676 SD MET A 46 2.042 -9.755 8.366 1.00 1.21 S ATOM 677 CE MET A 46 0.463 -9.531 9.181 1.00 1.26 C ATOM 0 H MET A 46 3.347 -6.878 5.443 1.00 0.36 H new ATOM 0 HA MET A 46 0.603 -6.072 5.467 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.300 -7.785 7.116 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.334 -8.395 5.840 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.319 -8.059 7.256 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.319 -7.381 8.525 1.00 0.52 H new ATOM 0 HE1 MET A 46 0.254 -10.394 9.812 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.495 -8.631 9.796 1.00 1.26 H new ATOM 0 HE3 MET A 46 -0.322 -9.431 8.432 1.00 1.26 H new ATOM 687 N GLU A 47 2.631 -4.834 7.691 1.00 0.37 N ATOM 688 CA GLU A 47 2.758 -3.749 8.658 1.00 0.42 C ATOM 689 C GLU A 47 2.140 -2.482 8.086 1.00 0.41 C ATOM 690 O GLU A 47 1.305 -1.841 8.721 1.00 0.47 O ATOM 691 CB GLU A 47 4.231 -3.498 9.001 1.00 0.48 C ATOM 692 CG GLU A 47 4.828 -4.518 9.960 1.00 0.62 C ATOM 693 CD GLU A 47 4.268 -4.394 11.362 1.00 1.21 C ATOM 694 OE1 GLU A 47 4.767 -3.559 12.138 1.00 1.18 O ATOM 695 OE2 GLU A 47 3.321 -5.140 11.696 1.00 2.20 O ATOM 0 H GLU A 47 3.519 -5.236 7.389 1.00 0.37 H new ATOM 0 HA GLU A 47 2.234 -4.032 9.571 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.813 -3.498 8.079 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.327 -2.504 9.438 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.635 -5.522 9.583 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.910 -4.392 9.992 1.00 0.62 H new ATOM 702 N THR A 48 2.542 -2.151 6.867 1.00 0.37 N ATOM 703 CA THR A 48 2.026 -0.982 6.172 1.00 0.42 C ATOM 704 C THR A 48 0.514 -1.101 5.959 1.00 0.40 C ATOM 705 O THR A 48 -0.225 -0.131 6.130 1.00 0.43 O ATOM 706 CB THR A 48 2.726 -0.808 4.810 1.00 0.45 C ATOM 707 OG1 THR A 48 4.151 -0.867 4.986 1.00 0.47 O ATOM 708 CG2 THR A 48 2.347 0.519 4.167 1.00 0.54 C ATOM 0 H THR A 48 3.231 -2.682 6.335 1.00 0.37 H new ATOM 0 HA THR A 48 2.229 -0.108 6.792 1.00 0.42 H new ATOM 0 HB THR A 48 2.402 -1.615 4.153 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.428 -1.800 5.104 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.855 0.616 3.207 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.269 0.553 4.012 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.646 1.339 4.820 1.00 0.54 H new ATOM 716 N ALA A 49 0.070 -2.300 5.592 1.00 0.40 N ATOM 717 CA ALA A 49 -1.343 -2.567 5.337 1.00 0.39 C ATOM 718 C ALA A 49 -2.217 -2.204 6.533 1.00 0.34 C ATOM 719 O ALA A 49 -3.214 -1.488 6.390 1.00 0.33 O ATOM 720 CB ALA A 49 -1.537 -4.032 4.983 1.00 0.46 C ATOM 0 H ALA A 49 0.676 -3.110 5.463 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.651 -1.940 4.500 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.593 -4.224 4.794 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -0.960 -4.270 4.090 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.198 -4.654 5.811 1.00 0.46 H new ATOM 726 N ALA A 50 -1.824 -2.681 7.712 1.00 0.37 N ATOM 727 CA ALA A 50 -2.608 -2.494 8.929 1.00 0.40 C ATOM 728 C ALA A 50 -2.768 -1.016 9.244 1.00 0.39 C ATOM 729 O ALA A 50 -3.784 -0.582 9.796 1.00 0.44 O ATOM 730 CB ALA A 50 -1.949 -3.210 10.096 1.00 0.49 C ATOM 0 H ALA A 50 -0.959 -3.204 7.850 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.598 -2.921 8.767 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.544 -3.062 10.997 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.881 -4.276 9.877 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.948 -2.807 10.252 1.00 0.49 H new ATOM 736 N ARG A 51 -1.754 -0.245 8.871 1.00 0.37 N ATOM 737 CA ARG A 51 -1.751 1.190 9.103 1.00 0.44 C ATOM 738 C ARG A 51 -2.852 1.861 8.294 1.00 0.40 C ATOM 739 O ARG A 51 -3.519 2.782 8.764 1.00 0.52 O ATOM 740 CB ARG A 51 -0.396 1.793 8.717 1.00 0.52 C ATOM 741 CG ARG A 51 0.794 1.072 9.325 1.00 0.68 C ATOM 742 CD ARG A 51 0.683 0.943 10.835 1.00 0.95 C ATOM 743 NE ARG A 51 1.723 0.068 11.365 1.00 1.47 N ATOM 744 CZ ARG A 51 1.482 -1.000 12.129 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.246 -1.280 12.529 1.00 1.94 N ATOM 746 NH2 ARG A 51 2.480 -1.781 12.513 1.00 2.86 N ATOM 0 H ARG A 51 -0.918 -0.595 8.403 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.930 1.362 10.164 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.300 1.781 7.631 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.373 2.838 9.027 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.878 0.079 8.883 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.708 1.611 9.075 1.00 0.68 H new ATOM 0 HD2 ARG A 51 0.763 1.928 11.294 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -0.298 0.548 11.098 1.00 0.95 H new ATOM 0 HE ARG A 51 2.693 0.285 11.138 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -0.529 -0.677 12.252 1.00 1.94 H new ATOM 0 HH12 ARG A 51 0.072 -2.098 13.113 1.00 1.94 H new ATOM 0 HH21 ARG A 51 3.435 -1.567 12.225 1.00 2.86 H new ATOM 0 HH22 ARG A 51 2.294 -2.597 13.097 1.00 2.86 H new ATOM 760 N LEU A 52 -3.045 1.383 7.075 1.00 0.32 N ATOM 761 CA LEU A 52 -4.020 1.969 6.170 1.00 0.31 C ATOM 762 C LEU A 52 -5.424 1.470 6.473 1.00 0.27 C ATOM 763 O LEU A 52 -6.392 2.224 6.351 1.00 0.30 O ATOM 764 CB LEU A 52 -3.644 1.669 4.724 1.00 0.35 C ATOM 765 CG LEU A 52 -2.246 2.145 4.324 1.00 0.46 C ATOM 766 CD1 LEU A 52 -1.999 1.888 2.854 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.067 3.623 4.642 1.00 0.56 C ATOM 0 H LEU A 52 -2.537 0.587 6.689 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.013 3.049 6.318 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -3.709 0.593 4.560 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.376 2.137 4.066 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.516 1.580 4.903 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.000 2.233 2.587 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.080 0.820 2.653 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -2.739 2.426 2.261 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.066 3.940 4.349 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -2.807 4.205 4.093 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.200 3.784 5.712 1.00 0.56 H new ATOM 779 N GLU A 53 -5.534 0.209 6.873 1.00 0.25 N ATOM 780 CA GLU A 53 -6.819 -0.341 7.284 1.00 0.26 C ATOM 781 C GLU A 53 -7.369 0.469 8.451 1.00 0.30 C ATOM 782 O GLU A 53 -8.550 0.812 8.483 1.00 0.36 O ATOM 783 CB GLU A 53 -6.685 -1.816 7.677 1.00 0.27 C ATOM 784 CG GLU A 53 -6.264 -2.722 6.528 1.00 0.32 C ATOM 785 CD GLU A 53 -6.149 -4.176 6.942 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.285 -4.491 7.780 1.00 0.51 O ATOM 787 OE2 GLU A 53 -6.937 -5.012 6.441 1.00 0.48 O ATOM 0 H GLU A 53 -4.755 -0.448 6.921 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.510 -0.280 6.443 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.955 -1.903 8.482 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.639 -2.165 8.072 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -6.988 -2.635 5.718 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.305 -2.383 6.136 1.00 0.32 H new ATOM 794 N SER A 54 -6.490 0.792 9.394 1.00 0.36 N ATOM 795 CA SER A 54 -6.854 1.619 10.535 1.00 0.46 C ATOM 796 C SER A 54 -7.215 3.042 10.099 1.00 0.43 C ATOM 797 O SER A 54 -8.160 3.641 10.616 1.00 0.53 O ATOM 798 CB SER A 54 -5.701 1.667 11.537 1.00 0.59 C ATOM 799 OG SER A 54 -5.312 0.361 11.932 1.00 1.42 O ATOM 0 H SER A 54 -5.516 0.491 9.388 1.00 0.36 H new ATOM 0 HA SER A 54 -7.730 1.172 11.005 1.00 0.46 H new ATOM 0 HB2 SER A 54 -4.851 2.184 11.093 1.00 0.59 H new ATOM 0 HB3 SER A 54 -6.001 2.241 12.414 1.00 0.59 H new ATOM 0 HG SER A 54 -4.753 -0.039 11.233 1.00 1.42 H new ATOM 805 N ARG A 55 -6.465 3.577 9.139 1.00 0.37 N ATOM 806 CA ARG A 55 -6.647 4.949 8.692 1.00 0.40 C ATOM 807 C ARG A 55 -7.962 5.151 7.950 1.00 0.40 C ATOM 808 O ARG A 55 -8.755 6.022 8.303 1.00 0.47 O ATOM 809 CB ARG A 55 -5.493 5.359 7.784 1.00 0.47 C ATOM 810 CG ARG A 55 -4.312 5.960 8.524 1.00 0.66 C ATOM 811 CD ARG A 55 -3.262 6.478 7.555 1.00 0.87 C ATOM 812 NE ARG A 55 -2.161 7.142 8.249 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.015 7.512 7.674 1.00 1.64 C ATOM 814 NH1 ARG A 55 -0.806 7.311 6.375 1.00 1.89 N ATOM 815 NH2 ARG A 55 -0.079 8.095 8.400 1.00 2.42 N ATOM 0 H ARG A 55 -5.721 3.074 8.655 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.669 5.573 9.585 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -5.154 4.486 7.227 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.857 6.081 7.053 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -4.655 6.775 9.162 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -3.868 5.209 9.177 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -2.872 5.649 6.965 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -3.725 7.176 6.857 1.00 0.87 H new ATOM 0 HE ARG A 55 -2.277 7.337 9.244 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -1.527 6.869 5.805 1.00 1.89 H new ATOM 0 HH12 ARG A 55 0.075 7.599 5.950 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -0.234 8.260 9.395 1.00 2.42 H new ATOM 0 HH22 ARG A 55 0.799 8.380 7.966 1.00 2.42 H new ATOM 829 N TYR A 56 -8.184 4.348 6.924 1.00 0.38 N ATOM 830 CA TYR A 56 -9.306 4.569 6.023 1.00 0.46 C ATOM 831 C TYR A 56 -10.501 3.700 6.405 1.00 0.51 C ATOM 832 O TYR A 56 -11.558 3.769 5.777 1.00 0.71 O ATOM 833 CB TYR A 56 -8.862 4.298 4.583 1.00 0.52 C ATOM 834 CG TYR A 56 -7.545 4.966 4.245 1.00 0.59 C ATOM 835 CD1 TYR A 56 -7.444 6.351 4.153 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.404 4.209 3.996 1.00 0.66 C ATOM 837 CE1 TYR A 56 -6.253 6.960 3.819 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.206 4.814 3.656 1.00 0.81 C ATOM 839 CZ TYR A 56 -5.110 6.194 3.677 1.00 0.91 C ATOM 840 OH TYR A 56 -3.951 6.803 3.228 1.00 1.08 O ATOM 0 H TYR A 56 -7.606 3.540 6.693 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.627 5.607 6.105 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.769 3.223 4.431 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -9.631 4.652 3.897 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -8.315 6.960 4.347 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.454 3.133 4.069 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -6.213 8.029 3.669 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.353 4.213 3.377 1.00 0.81 H new ATOM 0 HH TYR A 56 -3.231 6.140 3.179 1.00 1.08 H new ATOM 850 N GLY A 57 -10.330 2.889 7.445 1.00 0.41 N ATOM 851 CA GLY A 57 -11.416 2.054 7.922 1.00 0.46 C ATOM 852 C GLY A 57 -11.732 0.922 6.971 1.00 0.43 C ATOM 853 O GLY A 57 -12.884 0.510 6.841 1.00 0.58 O ATOM 0 H GLY A 57 -9.458 2.796 7.966 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.154 1.643 8.897 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.307 2.666 8.063 1.00 0.46 H new ATOM 857 N VAL A 58 -10.707 0.413 6.305 1.00 0.32 N ATOM 858 CA VAL A 58 -10.896 -0.634 5.317 1.00 0.33 C ATOM 859 C VAL A 58 -10.410 -1.978 5.843 1.00 0.33 C ATOM 860 O VAL A 58 -10.047 -2.109 7.012 1.00 0.34 O ATOM 861 CB VAL A 58 -10.177 -0.310 3.988 1.00 0.35 C ATOM 862 CG1 VAL A 58 -10.706 0.984 3.395 1.00 0.45 C ATOM 863 CG2 VAL A 58 -8.667 -0.223 4.185 1.00 0.30 C ATOM 0 H VAL A 58 -9.739 0.708 6.431 1.00 0.32 H new ATOM 0 HA VAL A 58 -11.967 -0.690 5.123 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.382 -1.123 3.292 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.187 1.195 2.460 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -11.775 0.886 3.203 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.537 1.801 4.096 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.188 0.006 3.233 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.439 0.563 4.904 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.293 -1.176 4.559 1.00 0.30 H new ATOM 873 N SER A 59 -10.412 -2.974 4.973 1.00 0.39 N ATOM 874 CA SER A 59 -9.919 -4.293 5.303 1.00 0.49 C ATOM 875 C SER A 59 -9.418 -4.974 4.038 1.00 0.48 C ATOM 876 O SER A 59 -10.157 -5.097 3.062 1.00 0.51 O ATOM 877 CB SER A 59 -11.024 -5.121 5.962 1.00 0.65 C ATOM 878 OG SER A 59 -11.480 -4.503 7.156 1.00 1.62 O ATOM 0 H SER A 59 -10.757 -2.887 4.017 1.00 0.39 H new ATOM 0 HA SER A 59 -9.094 -4.207 6.010 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.857 -5.240 5.269 1.00 0.65 H new ATOM 0 HB3 SER A 59 -10.650 -6.120 6.185 1.00 0.65 H new ATOM 0 HG SER A 59 -12.187 -5.050 7.558 1.00 1.62 H new ATOM 884 N ILE A 60 -8.163 -5.381 4.046 1.00 0.46 N ATOM 885 CA ILE A 60 -7.565 -6.018 2.886 1.00 0.46 C ATOM 886 C ILE A 60 -7.685 -7.535 2.999 1.00 0.54 C ATOM 887 O ILE A 60 -7.143 -8.140 3.928 1.00 0.60 O ATOM 888 CB ILE A 60 -6.084 -5.621 2.726 1.00 0.44 C ATOM 889 CG1 ILE A 60 -5.953 -4.096 2.633 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.488 -6.285 1.492 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.522 -3.611 2.531 1.00 0.45 C ATOM 0 H ILE A 60 -7.536 -5.282 4.844 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.105 -5.676 2.003 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.532 -5.964 3.601 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.509 -3.745 1.763 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.418 -3.646 3.511 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.442 -5.995 1.392 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.556 -7.368 1.593 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.038 -5.968 0.606 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.510 -2.523 2.469 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -3.966 -3.930 3.412 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.058 -4.030 1.638 1.00 0.45 H new ATOM 903 N PRO A 61 -8.428 -8.160 2.068 1.00 0.59 N ATOM 904 CA PRO A 61 -8.647 -9.612 2.060 1.00 0.69 C ATOM 905 C PRO A 61 -7.339 -10.397 1.996 1.00 0.62 C ATOM 906 O PRO A 61 -6.445 -10.069 1.216 1.00 0.57 O ATOM 907 CB PRO A 61 -9.475 -9.847 0.792 1.00 0.81 C ATOM 908 CG PRO A 61 -10.113 -8.532 0.503 1.00 0.79 C ATOM 909 CD PRO A 61 -9.124 -7.495 0.952 1.00 0.62 C ATOM 0 HA PRO A 61 -9.138 -9.951 2.972 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -8.846 -10.172 -0.037 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.224 -10.624 0.947 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.334 -8.429 -0.559 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.058 -8.429 1.037 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.435 -7.222 0.153 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.619 -6.579 1.274 1.00 0.62 H new ATOM 917 N ASP A 62 -7.252 -11.443 2.809 1.00 0.76 N ATOM 918 CA ASP A 62 -6.035 -12.243 2.932 1.00 0.82 C ATOM 919 C ASP A 62 -5.627 -12.859 1.595 1.00 0.67 C ATOM 920 O ASP A 62 -4.446 -12.893 1.249 1.00 0.77 O ATOM 921 CB ASP A 62 -6.250 -13.341 3.972 1.00 1.11 C ATOM 922 CG ASP A 62 -5.048 -14.247 4.130 1.00 1.39 C ATOM 923 OD1 ASP A 62 -4.079 -13.838 4.805 1.00 1.96 O ATOM 924 OD2 ASP A 62 -5.055 -15.351 3.551 1.00 1.99 O ATOM 0 H ASP A 62 -8.019 -11.761 3.401 1.00 0.76 H new ATOM 0 HA ASP A 62 -5.227 -11.585 3.251 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -6.482 -12.883 4.934 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -7.115 -13.940 3.687 1.00 1.11 H new ATOM 929 N ASP A 63 -6.612 -13.311 0.832 1.00 0.66 N ATOM 930 CA ASP A 63 -6.348 -13.970 -0.446 1.00 0.71 C ATOM 931 C ASP A 63 -6.000 -12.956 -1.532 1.00 0.58 C ATOM 932 O ASP A 63 -5.109 -13.188 -2.352 1.00 0.62 O ATOM 933 CB ASP A 63 -7.556 -14.804 -0.875 1.00 0.96 C ATOM 934 CG ASP A 63 -7.482 -15.222 -2.332 1.00 1.67 C ATOM 935 OD1 ASP A 63 -6.761 -16.192 -2.653 1.00 2.03 O ATOM 936 OD2 ASP A 63 -8.138 -14.567 -3.164 1.00 2.44 O ATOM 0 H ASP A 63 -7.600 -13.235 1.072 1.00 0.66 H new ATOM 0 HA ASP A 63 -5.490 -14.629 -0.310 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -7.622 -15.693 -0.248 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.468 -14.230 -0.710 1.00 0.96 H new ATOM 941 N VAL A 64 -6.691 -11.827 -1.527 1.00 0.57 N ATOM 942 CA VAL A 64 -6.454 -10.795 -2.524 1.00 0.58 C ATOM 943 C VAL A 64 -5.130 -10.079 -2.248 1.00 0.53 C ATOM 944 O VAL A 64 -4.486 -9.559 -3.161 1.00 0.59 O ATOM 945 CB VAL A 64 -7.613 -9.774 -2.575 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.408 -8.778 -3.709 1.00 1.10 C ATOM 947 CG2 VAL A 64 -8.950 -10.491 -2.735 1.00 1.14 C ATOM 0 H VAL A 64 -7.417 -11.602 -0.847 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.398 -11.284 -3.496 1.00 0.58 H new ATOM 0 HB VAL A 64 -7.622 -9.224 -1.634 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.236 -8.069 -3.725 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -6.473 -8.240 -3.556 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.368 -9.311 -4.659 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -9.755 -9.757 -2.769 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -8.945 -11.067 -3.660 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.106 -11.162 -1.890 1.00 1.14 H new ATOM 957 N ALA A 65 -4.718 -10.077 -0.987 1.00 0.52 N ATOM 958 CA ALA A 65 -3.440 -9.501 -0.599 1.00 0.58 C ATOM 959 C ALA A 65 -2.288 -10.251 -1.252 1.00 0.56 C ATOM 960 O ALA A 65 -1.352 -9.652 -1.776 1.00 0.68 O ATOM 961 CB ALA A 65 -3.290 -9.513 0.914 1.00 0.67 C ATOM 0 H ALA A 65 -5.254 -10.470 -0.213 1.00 0.52 H new ATOM 0 HA ALA A 65 -3.413 -8.467 -0.944 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -2.328 -9.079 1.188 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.093 -8.929 1.364 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.341 -10.540 1.277 1.00 0.67 H new ATOM 967 N GLY A 66 -2.394 -11.570 -1.251 1.00 0.50 N ATOM 968 CA GLY A 66 -1.325 -12.405 -1.761 1.00 0.56 C ATOM 969 C GLY A 66 -1.423 -12.659 -3.254 1.00 0.58 C ATOM 970 O GLY A 66 -1.056 -13.735 -3.729 1.00 0.77 O ATOM 0 H GLY A 66 -3.206 -12.081 -0.904 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.368 -11.932 -1.542 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.337 -13.360 -1.235 1.00 0.56 H new ATOM 974 N ARG A 67 -1.931 -11.685 -3.999 1.00 0.55 N ATOM 975 CA ARG A 67 -1.987 -11.799 -5.451 1.00 0.63 C ATOM 976 C ARG A 67 -1.770 -10.444 -6.124 1.00 0.58 C ATOM 977 O ARG A 67 -1.980 -10.298 -7.330 1.00 0.78 O ATOM 978 CB ARG A 67 -3.316 -12.428 -5.901 1.00 0.77 C ATOM 979 CG ARG A 67 -4.551 -11.668 -5.445 1.00 0.93 C ATOM 980 CD ARG A 67 -5.838 -12.320 -5.938 1.00 1.10 C ATOM 981 NE ARG A 67 -6.065 -13.638 -5.343 1.00 1.82 N ATOM 982 CZ ARG A 67 -6.555 -14.683 -6.013 1.00 2.63 C ATOM 983 NH1 ARG A 67 -6.878 -14.558 -7.295 1.00 2.86 N ATOM 984 NH2 ARG A 67 -6.753 -15.841 -5.395 1.00 3.63 N ATOM 0 H ARG A 67 -2.307 -10.814 -3.625 1.00 0.55 H new ATOM 0 HA ARG A 67 -1.176 -12.458 -5.763 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -3.324 -12.493 -6.989 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -3.370 -13.448 -5.520 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -4.564 -11.618 -4.356 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -4.501 -10.642 -5.811 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -6.682 -11.670 -5.706 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -5.799 -12.417 -7.023 1.00 1.10 H new ATOM 0 HE ARG A 67 -5.835 -13.765 -4.357 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -6.752 -13.663 -7.768 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -7.252 -15.357 -7.807 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -6.530 -15.935 -4.404 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -7.128 -16.637 -5.911 1.00 3.63 H new ATOM 998 N VAL A 68 -1.334 -9.453 -5.344 1.00 0.50 N ATOM 999 CA VAL A 68 -1.013 -8.139 -5.897 1.00 0.48 C ATOM 1000 C VAL A 68 0.492 -8.016 -6.133 1.00 0.54 C ATOM 1001 O VAL A 68 1.253 -8.919 -5.777 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.490 -6.979 -4.993 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -2.996 -7.025 -4.808 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -0.781 -7.000 -3.646 1.00 0.89 C ATOM 0 H VAL A 68 -1.196 -9.535 -4.337 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.547 -8.059 -6.844 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.233 -6.043 -5.490 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.309 -6.200 -4.169 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.485 -6.938 -5.778 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.277 -7.970 -4.344 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.138 -6.172 -3.034 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -0.990 -7.942 -3.140 1.00 0.89 H new ATOM 0 HG23 VAL A 68 0.294 -6.901 -3.799 1.00 0.89 H new ATOM 1014 N ASP A 69 0.918 -6.903 -6.723 1.00 0.38 N ATOM 1015 CA ASP A 69 2.337 -6.687 -6.984 1.00 0.43 C ATOM 1016 C ASP A 69 2.679 -5.202 -6.988 1.00 0.34 C ATOM 1017 O ASP A 69 3.607 -4.764 -6.311 1.00 0.41 O ATOM 1018 CB ASP A 69 2.746 -7.319 -8.318 1.00 0.65 C ATOM 1019 CG ASP A 69 3.877 -8.314 -8.150 1.00 0.97 C ATOM 1020 OD1 ASP A 69 4.994 -7.900 -7.776 1.00 1.75 O ATOM 1021 OD2 ASP A 69 3.654 -9.519 -8.390 1.00 1.65 O ATOM 0 H ASP A 69 0.308 -6.144 -7.027 1.00 0.38 H new ATOM 0 HA ASP A 69 2.894 -7.166 -6.179 1.00 0.43 H new ATOM 0 HB2 ASP A 69 1.885 -7.820 -8.761 1.00 0.65 H new ATOM 0 HB3 ASP A 69 3.052 -6.536 -9.012 1.00 0.65 H new ATOM 1026 N THR A 70 1.932 -4.433 -7.765 1.00 0.34 N ATOM 1027 CA THR A 70 2.174 -3.008 -7.886 1.00 0.31 C ATOM 1028 C THR A 70 1.200 -2.193 -7.030 1.00 0.28 C ATOM 1029 O THR A 70 0.030 -2.557 -6.886 1.00 0.28 O ATOM 1030 CB THR A 70 2.065 -2.573 -9.362 1.00 0.39 C ATOM 1031 OG1 THR A 70 0.955 -3.235 -9.980 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.335 -2.905 -10.124 1.00 0.44 C ATOM 0 H THR A 70 1.150 -4.776 -8.323 1.00 0.34 H new ATOM 0 HA THR A 70 3.183 -2.814 -7.523 1.00 0.31 H new ATOM 0 HB THR A 70 1.916 -1.493 -9.388 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.302 -2.568 -10.279 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.230 -2.588 -11.161 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.179 -2.386 -9.669 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.509 -3.980 -10.090 1.00 0.44 H new ATOM 1040 N PRO A 71 1.692 -1.092 -6.427 1.00 0.29 N ATOM 1041 CA PRO A 71 0.875 -0.160 -5.631 1.00 0.29 C ATOM 1042 C PRO A 71 -0.380 0.313 -6.360 1.00 0.27 C ATOM 1043 O PRO A 71 -1.398 0.592 -5.727 1.00 0.28 O ATOM 1044 CB PRO A 71 1.821 1.022 -5.408 1.00 0.34 C ATOM 1045 CG PRO A 71 3.172 0.409 -5.412 1.00 0.38 C ATOM 1046 CD PRO A 71 3.110 -0.684 -6.439 1.00 0.35 C ATOM 0 HA PRO A 71 0.508 -0.630 -4.719 1.00 0.29 H new ATOM 0 HB2 PRO A 71 1.719 1.768 -6.196 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.614 1.525 -4.464 1.00 0.34 H new ATOM 0 HG2 PRO A 71 3.936 1.144 -5.666 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.426 0.011 -4.429 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.416 -0.328 -7.423 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.768 -1.514 -6.181 1.00 0.35 H new ATOM 1054 N ARG A 72 -0.287 0.425 -7.686 1.00 0.32 N ATOM 1055 CA ARG A 72 -1.417 0.851 -8.512 1.00 0.37 C ATOM 1056 C ARG A 72 -2.646 -0.003 -8.239 1.00 0.35 C ATOM 1057 O ARG A 72 -3.712 0.518 -7.904 1.00 0.38 O ATOM 1058 CB ARG A 72 -1.078 0.755 -9.998 1.00 0.49 C ATOM 1059 CG ARG A 72 -2.201 1.267 -10.889 1.00 0.83 C ATOM 1060 CD ARG A 72 -2.065 0.774 -12.318 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.814 1.202 -12.944 1.00 1.76 N ATOM 1062 CZ ARG A 72 -0.649 1.327 -14.263 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -1.678 1.150 -15.085 1.00 3.22 N ATOM 1064 NH2 ARG A 72 0.536 1.669 -14.762 1.00 3.56 N ATOM 0 H ARG A 72 0.564 0.225 -8.212 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.628 1.888 -8.252 1.00 0.37 H new ATOM 0 HB2 ARG A 72 -0.172 1.326 -10.198 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.863 -0.283 -10.251 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -3.160 0.944 -10.484 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -2.202 2.357 -10.880 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -2.119 -0.315 -12.330 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -2.906 1.141 -12.907 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.022 1.417 -12.338 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -2.597 0.918 -14.709 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -1.549 1.246 -16.092 1.00 3.22 H new ATOM 0 HH21 ARG A 72 1.324 1.837 -14.136 1.00 3.56 H new ATOM 0 HH22 ARG A 72 0.657 1.763 -15.770 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.477 -1.314 -8.377 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.582 -2.253 -8.209 1.00 0.39 C ATOM 1080 C GLU A 73 -4.127 -2.154 -6.794 1.00 0.36 C ATOM 1081 O GLU A 73 -5.335 -2.128 -6.587 1.00 0.38 O ATOM 1082 CB GLU A 73 -3.137 -3.701 -8.463 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.965 -3.858 -9.423 1.00 0.56 C ATOM 1084 CD GLU A 73 -2.199 -3.211 -10.772 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -3.017 -3.740 -11.552 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -1.553 -2.176 -11.049 1.00 2.43 O ATOM 0 H GLU A 73 -1.584 -1.751 -8.605 1.00 0.36 H new ATOM 0 HA GLU A 73 -4.351 -1.991 -8.936 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -2.868 -4.155 -7.509 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.985 -4.262 -8.855 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -1.074 -3.424 -8.970 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.764 -4.919 -9.568 1.00 0.56 H new ATOM 1093 N LEU A 74 -3.214 -2.085 -5.833 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.565 -1.990 -4.420 1.00 0.34 C ATOM 1095 C LEU A 74 -4.399 -0.733 -4.168 1.00 0.33 C ATOM 1096 O LEU A 74 -5.437 -0.779 -3.502 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.268 -1.973 -3.594 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.379 -2.415 -2.128 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -3.043 -1.347 -1.276 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.133 -3.737 -2.027 1.00 0.98 C ATOM 0 H LEU A 74 -2.210 -2.093 -6.010 1.00 0.33 H new ATOM 0 HA LEU A 74 -4.167 -2.848 -4.122 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.541 -2.616 -4.089 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.865 -0.961 -3.615 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.370 -2.561 -1.743 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -3.106 -1.692 -0.244 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.454 -0.431 -1.317 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -4.046 -1.151 -1.655 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.203 -4.037 -0.981 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -4.135 -3.617 -2.438 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.600 -4.504 -2.589 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.937 0.378 -4.723 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.613 1.663 -4.592 1.00 0.33 C ATOM 1114 C LEU A 75 -6.028 1.608 -5.168 1.00 0.35 C ATOM 1115 O LEU A 75 -7.003 1.930 -4.486 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.803 2.742 -5.315 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.277 4.178 -5.098 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.042 4.602 -3.658 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.573 5.122 -6.058 1.00 0.91 C ATOM 0 H LEU A 75 -3.082 0.415 -5.278 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.689 1.903 -3.531 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.764 2.668 -4.993 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.821 2.530 -6.384 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.347 4.224 -5.298 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.385 5.627 -3.520 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -4.594 3.942 -2.989 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -2.978 4.542 -3.430 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -3.923 6.140 -5.889 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.497 5.076 -5.890 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.793 4.828 -7.084 1.00 0.91 H new ATOM 1131 N ASP A 76 -6.128 1.183 -6.425 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.407 1.176 -7.138 1.00 0.44 C ATOM 1133 C ASP A 76 -8.350 0.113 -6.575 1.00 0.40 C ATOM 1134 O ASP A 76 -9.569 0.260 -6.635 1.00 0.43 O ATOM 1135 CB ASP A 76 -7.184 0.948 -8.640 1.00 0.55 C ATOM 1136 CG ASP A 76 -8.462 1.080 -9.451 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.808 2.216 -9.847 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -9.126 0.055 -9.701 1.00 1.43 O ATOM 0 H ASP A 76 -5.340 0.838 -6.973 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.874 2.151 -6.995 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.450 1.666 -9.007 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.762 -0.045 -8.794 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.780 -0.949 -6.018 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.567 -2.014 -5.403 1.00 0.38 C ATOM 1145 C LEU A 77 -9.338 -1.496 -4.193 1.00 0.34 C ATOM 1146 O LEU A 77 -10.563 -1.622 -4.125 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.649 -3.160 -4.972 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.337 -4.343 -4.289 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.261 -5.066 -5.258 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.293 -5.293 -3.729 1.00 1.66 C ATOM 0 H LEU A 77 -6.772 -1.097 -5.979 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.283 -2.376 -6.141 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -7.122 -3.529 -5.852 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.895 -2.761 -4.293 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.946 -3.967 -3.467 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.739 -5.903 -4.749 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -10.025 -4.376 -5.616 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.682 -5.438 -6.104 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.789 -6.134 -3.244 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.664 -5.661 -4.540 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.675 -4.767 -3.001 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.615 -0.910 -3.246 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.225 -0.390 -2.026 1.00 0.31 C ATOM 1164 C ILE A 78 -10.219 0.718 -2.360 1.00 0.34 C ATOM 1165 O ILE A 78 -11.350 0.723 -1.867 1.00 0.41 O ATOM 1166 CB ILE A 78 -8.155 0.144 -1.046 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.195 -0.982 -0.654 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.810 0.735 0.196 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -6.113 -0.555 0.312 1.00 0.40 C ATOM 0 H ILE A 78 -7.604 -0.782 -3.299 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.752 -1.212 -1.542 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.592 0.933 -1.544 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.767 -1.795 -0.207 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.728 -1.379 -1.556 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -8.040 1.105 0.873 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.464 1.558 -0.094 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.396 -0.034 0.699 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.473 -1.407 0.542 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.515 0.237 -0.139 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.570 -0.186 1.230 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.802 1.640 -3.222 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.672 2.732 -3.652 1.00 0.44 C ATOM 1183 C ASN A 79 -11.838 2.208 -4.482 1.00 0.44 C ATOM 1184 O ASN A 79 -12.860 2.870 -4.611 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.887 3.775 -4.451 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.917 4.559 -3.584 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.133 4.719 -2.385 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -7.849 5.068 -4.188 1.00 0.78 N ATOM 0 H ASN A 79 -8.870 1.654 -3.636 1.00 0.36 H new ATOM 0 HA ASN A 79 -11.070 3.208 -2.756 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.336 3.278 -5.249 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.584 4.465 -4.926 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.173 5.614 -3.654 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -7.705 4.913 -5.186 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.675 1.012 -5.036 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.741 0.385 -5.797 1.00 0.47 C ATOM 1197 C GLY A 80 -13.875 -0.074 -4.907 1.00 0.48 C ATOM 1198 O GLY A 80 -15.038 -0.048 -5.304 1.00 0.54 O ATOM 0 H GLY A 80 -10.818 0.462 -4.971 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.122 1.090 -6.536 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.342 -0.468 -6.346 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.535 -0.496 -3.698 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.534 -0.890 -2.718 1.00 0.56 C ATOM 1204 C ALA A 81 -15.236 0.339 -2.157 1.00 0.61 C ATOM 1205 O ALA A 81 -16.418 0.302 -1.819 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.893 -1.690 -1.596 1.00 0.60 C ATOM 0 H ALA A 81 -12.572 -0.574 -3.372 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.274 -1.520 -3.212 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.656 -1.976 -0.872 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.429 -2.586 -2.007 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -13.135 -1.082 -1.103 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.496 1.435 -2.075 1.00 0.57 N ATOM 1213 CA LEU A 82 -15.022 2.681 -1.531 1.00 0.64 C ATOM 1214 C LEU A 82 -15.735 3.492 -2.608 1.00 0.70 C ATOM 1215 O LEU A 82 -16.417 4.471 -2.305 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.889 3.509 -0.927 1.00 0.64 C ATOM 1217 CG LEU A 82 -13.113 2.831 0.204 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.934 3.694 0.632 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -14.025 2.539 1.387 1.00 0.85 C ATOM 0 H LEU A 82 -13.524 1.488 -2.380 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.744 2.432 -0.753 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -13.189 3.769 -1.721 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -14.305 4.443 -0.550 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.728 1.881 -0.167 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -11.393 3.197 1.437 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -11.266 3.844 -0.216 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -12.298 4.660 0.982 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -13.451 2.057 2.179 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -14.446 3.472 1.761 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -14.832 1.878 1.070 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.580 3.075 -3.862 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.172 3.783 -4.995 1.00 0.71 C ATOM 1233 C ALA A 83 -17.694 3.734 -4.952 1.00 0.85 C ATOM 1234 O ALA A 83 -18.372 4.550 -5.578 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.653 3.207 -6.303 1.00 0.70 C ATOM 0 H ALA A 83 -15.046 2.245 -4.121 1.00 0.63 H new ATOM 0 HA ALA A 83 -15.877 4.830 -4.929 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.101 3.743 -7.140 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.569 3.314 -6.343 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.916 2.151 -6.365 1.00 0.70 H new ATOM 1241 N GLU A 84 -18.232 2.783 -4.204 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.674 2.688 -4.020 1.00 1.11 C ATOM 1243 C GLU A 84 -20.179 3.859 -3.182 1.00 1.29 C ATOM 1244 O GLU A 84 -21.366 4.191 -3.206 1.00 1.58 O ATOM 1245 CB GLU A 84 -20.035 1.361 -3.359 1.00 1.25 C ATOM 1246 CG GLU A 84 -19.708 0.153 -4.222 1.00 1.81 C ATOM 1247 CD GLU A 84 -20.539 0.105 -5.489 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -20.203 0.812 -6.461 1.00 2.39 O ATOM 1249 OE2 GLU A 84 -21.534 -0.647 -5.519 1.00 2.67 O ATOM 0 H GLU A 84 -17.694 2.067 -3.715 1.00 0.89 H new ATOM 0 HA GLU A 84 -20.156 2.730 -4.997 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -19.502 1.278 -2.412 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -21.100 1.356 -3.127 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -18.650 0.174 -4.485 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -19.876 -0.757 -3.646 1.00 1.81 H new ATOM 1256 N ALA A 85 -19.260 4.484 -2.453 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.572 5.643 -1.632 1.00 1.57 C ATOM 1258 C ALA A 85 -18.896 6.888 -2.200 1.00 1.83 C ATOM 1259 O ALA A 85 -18.619 7.857 -1.483 1.00 2.45 O ATOM 1260 CB ALA A 85 -19.130 5.400 -0.200 1.00 1.74 C ATOM 0 H ALA A 85 -18.281 4.200 -2.416 1.00 1.27 H new ATOM 0 HA ALA A 85 -20.650 5.804 -1.639 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -19.368 6.273 0.407 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -19.650 4.529 0.198 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -18.055 5.223 -0.176 1.00 1.74 H new ATOM 1266 N ALA A 86 -18.625 6.851 -3.497 1.00 2.09 N ATOM 1267 CA ALA A 86 -18.042 7.987 -4.191 1.00 2.63 C ATOM 1268 C ALA A 86 -19.115 9.008 -4.533 1.00 3.28 C ATOM 1269 O ALA A 86 -20.029 8.665 -5.310 1.00 3.73 O ATOM 1270 CB ALA A 86 -17.319 7.542 -5.452 1.00 3.12 C ATOM 1271 OXT ALA A 86 -19.043 10.142 -4.014 1.00 3.82 O ATOM 0 H ALA A 86 -18.801 6.041 -4.091 1.00 2.09 H new ATOM 0 HA ALA A 86 -17.314 8.451 -3.526 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -16.892 8.411 -5.952 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -16.522 6.847 -5.188 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -18.024 7.048 -6.121 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 6.958 -13.187 4.033 1.00 1.12 P HETATM 1279 O26 SXO A 87 7.809 -13.647 5.242 1.00 1.48 O HETATM 1280 O23 SXO A 87 7.360 -13.672 2.621 1.00 1.45 O HETATM 1281 O27 SXO A 87 5.469 -13.600 4.286 1.00 1.11 O HETATM 1282 C28 SXO A 87 4.819 -13.143 5.514 1.00 1.02 C HETATM 1283 C29 SXO A 87 3.320 -13.438 5.471 1.00 1.15 C HETATM 1284 C30 SXO A 87 2.732 -12.849 6.737 1.00 1.14 C HETATM 1285 C31 SXO A 87 2.697 -12.772 4.246 1.00 1.22 C HETATM 1286 C32 SXO A 87 3.069 -14.981 5.414 1.00 1.49 C HETATM 1287 O33 SXO A 87 3.934 -15.580 4.437 1.00 1.65 O HETATM 1288 C34 SXO A 87 1.603 -15.287 5.060 1.00 1.70 C HETATM 1289 O35 SXO A 87 1.321 -15.880 4.015 1.00 1.95 O HETATM 1290 N36 SXO A 87 0.682 -14.901 5.936 1.00 1.69 N HETATM 1291 C37 SXO A 87 -0.754 -15.110 5.759 1.00 1.95 C HETATM 1292 C38 SXO A 87 -1.568 -14.482 6.881 1.00 1.97 C HETATM 1293 C39 SXO A 87 -1.386 -12.979 6.983 1.00 1.75 C HETATM 1294 O40 SXO A 87 -1.191 -12.424 8.068 1.00 2.21 O HETATM 1295 N41 SXO A 87 -1.440 -12.335 5.826 1.00 1.79 N HETATM 1296 C42 SXO A 87 -1.290 -10.887 5.690 1.00 1.94 C HETATM 1297 C43 SXO A 87 -0.715 -10.509 4.336 1.00 1.99 C HETATM 1298 S1 SXO A 87 -0.629 -8.788 4.173 1.00 1.96 S HETATM 1299 C1 SXO A 87 0.113 -8.752 2.598 1.00 1.93 C HETATM 1300 O1 SXO A 87 0.634 -9.730 2.056 1.00 2.52 O HETATM 1301 C2 SXO A 87 0.056 -7.408 1.895 1.00 2.08 C HETATM 1302 C3 SXO A 87 -1.307 -6.741 1.989 1.00 1.81 C HETATM 1303 C4 SXO A 87 -1.667 -6.007 0.699 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.656 -4.925 0.335 1.00 1.78 C HETATM 1305 C6 SXO A 87 -0.669 -3.782 1.339 1.00 1.64 C HETATM 1306 C7 SXO A 87 0.214 -2.632 0.886 1.00 1.79 C HETATM 1307 C8 SXO A 87 0.197 -1.527 1.920 1.00 1.84 C HETATM 0 HO33 SXO A 87 4.443 -14.880 3.977 1.00 1.65 H new HETATM 0 HN41 SXO A 87 -1.596 -12.882 4.980 1.00 1.79 H new HETATM 0 HN36 SXO A 87 0.996 -14.430 6.784 1.00 1.69 H new HETATM 0 H43A SXO A 87 0.279 -10.941 4.223 1.00 1.99 H new HETATM 0 H42A SXO A 87 -2.259 -10.406 5.821 1.00 1.94 H new HETATM 0 H38A SXO A 87 -2.623 -14.704 6.723 1.00 1.97 H new HETATM 0 H37A SXO A 87 -1.066 -14.686 4.805 1.00 1.95 H new HETATM 0 H31B SXO A 87 2.851 -11.694 4.300 1.00 1.22 H new HETATM 0 H31A SXO A 87 3.167 -13.160 3.342 1.00 1.22 H new HETATM 0 H30B SXO A 87 3.197 -13.316 7.605 1.00 1.14 H new HETATM 0 H30A SXO A 87 2.918 -11.775 6.759 1.00 1.14 H new HETATM 0 H28A SXO A 87 5.268 -13.638 6.375 1.00 1.02 H new HETATM 0 H8B SXO A 87 -0.823 -1.166 2.050 1.00 1.84 H new HETATM 0 H8A SXO A 87 0.569 -1.912 2.870 1.00 1.84 H new HETATM 0 H8 SXO A 87 0.833 -0.707 1.587 1.00 1.84 H new HETATM 0 H7A SXO A 87 1.234 -2.984 0.735 1.00 1.79 H new HETATM 0 H7 SXO A 87 -0.136 -2.250 -0.073 1.00 1.79 H new HETATM 0 H6A SXO A 87 -1.691 -3.426 1.474 1.00 1.64 H new HETATM 0 H6 SXO A 87 -0.327 -4.144 2.309 1.00 1.64 H new HETATM 0 H5A SXO A 87 0.343 -5.360 0.292 1.00 1.78 H new HETATM 0 H5 SXO A 87 -0.879 -4.538 -0.659 1.00 1.78 H new HETATM 0 H4A SXO A 87 -1.733 -6.726 -0.117 1.00 1.94 H new HETATM 0 H43 SXO A 87 -1.335 -10.925 3.542 1.00 1.99 H new HETATM 0 H42 SXO A 87 -0.639 -10.512 6.480 1.00 1.94 H new HETATM 0 H4 SXO A 87 -2.653 -5.556 0.806 1.00 1.94 H new HETATM 0 H3A SXO A 87 -2.066 -7.493 2.204 1.00 1.81 H new HETATM 0 H38 SXO A 87 -1.284 -14.941 7.828 1.00 1.97 H new HETATM 0 H37 SXO A 87 -0.961 -16.179 5.716 1.00 1.95 H new HETATM 0 H32 SXO A 87 3.283 -15.398 6.398 1.00 1.49 H new HETATM 0 H31 SXO A 87 1.628 -12.985 4.220 1.00 1.22 H new HETATM 0 H30 SXO A 87 1.658 -13.032 6.758 1.00 1.14 H new HETATM 0 H3 SXO A 87 -1.311 -6.037 2.821 1.00 1.81 H new HETATM 0 H2A SXO A 87 0.807 -6.747 2.327 1.00 2.08 H new HETATM 0 H28 SXO A 87 4.981 -12.073 5.641 1.00 1.02 H new HETATM 0 H2 SXO A 87 0.316 -7.543 0.845 1.00 2.08 H new