USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -86:sc= 2.11 USER MOD Set 1.2: A 48 THR OG1 : rot -74:sc= 1.19 USER MOD Set 2.1: A 24 THR OG1 : rot -150:sc= 0.132 USER MOD Set 2.2: A 40 TYR OH : rot -145:sc= -0.763 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.107 (180deg=-0.543) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0995) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 6 THR OG1 : rot -83:sc= 1.28 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 14:sc= 1.16 USER MOD Single : A 27 SER OG : rot 134:sc= 1.26 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 172:sc= -1.02 (180deg=-1.39) USER MOD Single : A 54 SER OG : rot 82:sc= 1.16 USER MOD Single : A 56 TYR OH : rot 30:sc= 0.282 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 79 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.335 6.814 -4.360 1.00 5.55 N ATOM 2 CA MET A 1 -16.747 8.033 -3.670 1.00 4.81 C ATOM 3 C MET A 1 -15.573 8.618 -2.917 1.00 4.08 C ATOM 4 O MET A 1 -15.256 9.802 -3.064 1.00 4.33 O ATOM 5 CB MET A 1 -17.926 7.775 -2.718 1.00 5.00 C ATOM 6 CG MET A 1 -19.187 7.282 -3.414 1.00 5.78 C ATOM 7 SD MET A 1 -20.581 7.037 -2.283 1.00 6.34 S ATOM 8 CE MET A 1 -20.867 8.725 -1.742 1.00 6.63 C ATOM 0 H1 MET A 1 -17.097 6.500 -4.995 1.00 5.55 H new ATOM 0 H2 MET A 1 -15.477 7.003 -4.916 1.00 5.55 H new ATOM 0 H3 MET A 1 -16.138 6.069 -3.661 1.00 5.55 H new ATOM 0 HA MET A 1 -17.086 8.749 -4.419 1.00 4.81 H new ATOM 0 HB2 MET A 1 -17.624 7.040 -1.973 1.00 5.00 H new ATOM 0 HB3 MET A 1 -18.155 8.696 -2.182 1.00 5.00 H new ATOM 0 HG2 MET A 1 -19.474 8.000 -4.183 1.00 5.78 H new ATOM 0 HG3 MET A 1 -18.970 6.342 -3.921 1.00 5.78 H new ATOM 0 HE1 MET A 1 -21.870 8.808 -1.324 1.00 6.63 H new ATOM 0 HE2 MET A 1 -20.133 8.993 -0.982 1.00 6.63 H new ATOM 0 HE3 MET A 1 -20.771 9.401 -2.592 1.00 6.63 H new ATOM 20 N ALA A 2 -14.918 7.797 -2.111 1.00 3.63 N ATOM 21 CA ALA A 2 -13.744 8.224 -1.387 1.00 3.34 C ATOM 22 C ALA A 2 -12.597 8.408 -2.363 1.00 2.29 C ATOM 23 O ALA A 2 -12.616 7.834 -3.450 1.00 2.60 O ATOM 24 CB ALA A 2 -13.373 7.205 -0.317 1.00 4.09 C ATOM 0 H ALA A 2 -15.186 6.827 -1.945 1.00 3.63 H new ATOM 0 HA ALA A 2 -13.953 9.171 -0.890 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -12.486 7.545 0.217 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -14.200 7.097 0.385 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -13.167 6.243 -0.786 1.00 4.09 H new ATOM 30 N THR A 3 -11.618 9.197 -1.989 1.00 1.66 N ATOM 31 CA THR A 3 -10.474 9.428 -2.835 1.00 1.24 C ATOM 32 C THR A 3 -9.639 8.194 -2.877 1.00 1.06 C ATOM 33 O THR A 3 -8.974 7.812 -1.903 1.00 1.81 O ATOM 34 CB THR A 3 -9.676 10.620 -2.319 1.00 2.06 C ATOM 35 OG1 THR A 3 -9.525 10.498 -0.889 1.00 2.62 O ATOM 36 CG2 THR A 3 -10.378 11.919 -2.654 1.00 2.77 C ATOM 0 H THR A 3 -11.592 9.692 -1.098 1.00 1.66 H new ATOM 0 HA THR A 3 -10.802 9.661 -3.848 1.00 1.24 H new ATOM 0 HB THR A 3 -8.697 10.629 -2.797 1.00 2.06 H new ATOM 0 HG1 THR A 3 -9.011 11.260 -0.548 1.00 2.62 H new ATOM 0 HG21 THR A 3 -9.792 12.757 -2.277 1.00 2.77 H new ATOM 0 HG22 THR A 3 -10.483 12.007 -3.735 1.00 2.77 H new ATOM 0 HG23 THR A 3 -11.365 11.929 -2.191 1.00 2.77 H new ATOM 44 N LEU A 4 -9.729 7.568 -3.994 1.00 0.89 N ATOM 45 CA LEU A 4 -9.129 6.333 -4.259 1.00 0.69 C ATOM 46 C LEU A 4 -7.617 6.502 -4.348 1.00 0.63 C ATOM 47 O LEU A 4 -7.108 7.614 -4.549 1.00 0.87 O ATOM 48 CB LEU A 4 -9.698 5.824 -5.564 1.00 0.83 C ATOM 49 CG LEU A 4 -9.402 4.402 -5.918 1.00 1.14 C ATOM 50 CD1 LEU A 4 -10.030 3.466 -4.901 1.00 1.27 C ATOM 51 CD2 LEU A 4 -9.885 4.096 -7.319 1.00 1.51 C ATOM 0 H LEU A 4 -10.256 7.934 -4.787 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.332 5.617 -3.462 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.780 5.949 -5.535 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -9.326 6.459 -6.368 1.00 0.83 H new ATOM 0 HG LEU A 4 -8.323 4.249 -5.896 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.807 2.434 -5.170 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.625 3.679 -3.912 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -11.110 3.613 -4.890 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -9.662 3.057 -7.562 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -10.961 4.259 -7.377 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -9.380 4.751 -8.029 1.00 1.51 H new ATOM 63 N LEU A 5 -6.922 5.423 -4.221 1.00 0.49 N ATOM 64 CA LEU A 5 -5.499 5.434 -4.199 1.00 0.44 C ATOM 65 C LEU A 5 -4.935 5.227 -5.580 1.00 0.39 C ATOM 66 O LEU A 5 -5.360 4.317 -6.301 1.00 0.42 O ATOM 67 CB LEU A 5 -4.997 4.316 -3.290 1.00 0.47 C ATOM 68 CG LEU A 5 -5.423 4.379 -1.822 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.884 3.183 -1.068 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.938 5.660 -1.177 1.00 0.79 C ATOM 0 H LEU A 5 -7.333 4.494 -4.128 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.171 6.405 -3.827 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.335 3.365 -3.702 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.908 4.310 -3.328 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.512 4.362 -1.782 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.195 3.240 -0.025 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.273 2.267 -1.513 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.795 3.179 -1.123 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.252 5.684 -0.134 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.850 5.705 -1.230 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.362 6.515 -1.703 1.00 0.79 H new ATOM 82 N THR A 6 -4.052 6.094 -5.977 1.00 0.38 N ATOM 83 CA THR A 6 -3.277 5.878 -7.162 1.00 0.40 C ATOM 84 C THR A 6 -1.939 5.314 -6.704 1.00 0.34 C ATOM 85 O THR A 6 -1.749 5.086 -5.489 1.00 0.30 O ATOM 86 CB THR A 6 -3.013 7.191 -7.933 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.289 8.105 -7.080 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.318 7.834 -8.384 1.00 0.63 C ATOM 0 H THR A 6 -3.849 6.967 -5.491 1.00 0.38 H new ATOM 0 HA THR A 6 -3.818 5.208 -7.831 1.00 0.40 H new ATOM 0 HB THR A 6 -2.424 6.961 -8.821 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.919 8.572 -6.492 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.102 8.756 -8.924 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.855 7.147 -9.039 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.933 8.059 -7.513 1.00 0.63 H new ATOM 96 N THR A 7 -1.026 5.103 -7.623 1.00 0.37 N ATOM 97 CA THR A 7 0.310 4.685 -7.287 1.00 0.37 C ATOM 98 C THR A 7 0.978 5.707 -6.334 1.00 0.35 C ATOM 99 O THR A 7 1.680 5.326 -5.412 1.00 0.34 O ATOM 100 CB THR A 7 1.162 4.493 -8.560 1.00 0.48 C ATOM 101 OG1 THR A 7 0.420 3.696 -9.508 1.00 0.61 O ATOM 102 CG2 THR A 7 2.458 3.765 -8.226 1.00 0.56 C ATOM 0 H THR A 7 -1.191 5.217 -8.623 1.00 0.37 H new ATOM 0 HA THR A 7 0.246 3.726 -6.773 1.00 0.37 H new ATOM 0 HB THR A 7 1.395 5.472 -8.979 1.00 0.48 H new ATOM 0 HG1 THR A 7 0.955 3.571 -10.320 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.048 3.637 -9.134 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.027 4.349 -7.503 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.227 2.787 -7.802 1.00 0.56 H new ATOM 110 N ASP A 8 0.692 7.003 -6.532 1.00 0.43 N ATOM 111 CA ASP A 8 1.319 8.063 -5.720 1.00 0.50 C ATOM 112 C ASP A 8 0.652 8.172 -4.349 1.00 0.44 C ATOM 113 O ASP A 8 1.307 8.466 -3.342 1.00 0.46 O ATOM 114 CB ASP A 8 1.296 9.417 -6.439 1.00 0.67 C ATOM 115 CG ASP A 8 2.070 10.495 -5.687 1.00 1.08 C ATOM 116 OD1 ASP A 8 3.318 10.534 -5.775 1.00 1.26 O ATOM 117 OD2 ASP A 8 1.436 11.298 -4.959 1.00 1.65 O ATOM 0 H ASP A 8 0.039 7.342 -7.238 1.00 0.43 H new ATOM 0 HA ASP A 8 2.362 7.782 -5.574 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.719 9.301 -7.437 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.262 9.739 -6.566 1.00 0.67 H new ATOM 122 N ASP A 9 -0.646 7.899 -4.302 1.00 0.42 N ATOM 123 CA ASP A 9 -1.371 7.891 -3.020 1.00 0.42 C ATOM 124 C ASP A 9 -0.859 6.754 -2.175 1.00 0.40 C ATOM 125 O ASP A 9 -0.614 6.907 -0.970 1.00 0.45 O ATOM 126 CB ASP A 9 -2.889 7.717 -3.196 1.00 0.46 C ATOM 127 CG ASP A 9 -3.579 8.859 -3.882 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.969 9.831 -3.207 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.768 8.787 -5.099 1.00 1.41 O ATOM 0 H ASP A 9 -1.218 7.682 -5.118 1.00 0.42 H new ATOM 0 HA ASP A 9 -1.198 8.857 -2.545 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -3.072 6.806 -3.765 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.340 7.576 -2.214 1.00 0.46 H new ATOM 134 N LEU A 10 -0.673 5.618 -2.829 1.00 0.37 N ATOM 135 CA LEU A 10 -0.174 4.418 -2.195 1.00 0.36 C ATOM 136 C LEU A 10 1.273 4.659 -1.761 1.00 0.36 C ATOM 137 O LEU A 10 1.675 4.291 -0.667 1.00 0.41 O ATOM 138 CB LEU A 10 -0.223 3.261 -3.196 1.00 0.35 C ATOM 139 CG LEU A 10 -0.176 1.866 -2.603 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.472 1.582 -1.862 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.076 0.832 -3.687 1.00 0.37 C ATOM 0 H LEU A 10 -0.867 5.507 -3.824 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.785 4.169 -1.327 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -1.136 3.354 -3.784 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.613 3.369 -3.887 1.00 0.35 H new ATOM 0 HG LEU A 10 0.649 1.806 -1.894 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.436 0.579 -1.437 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.601 2.311 -1.062 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.310 1.652 -2.555 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.106 -0.162 -3.241 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.726 0.875 -4.424 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.029 1.040 -4.174 1.00 0.37 H new ATOM 153 N ARG A 11 2.015 5.313 -2.641 1.00 0.36 N ATOM 154 CA ARG A 11 3.414 5.696 -2.446 1.00 0.38 C ATOM 155 C ARG A 11 3.629 6.367 -1.094 1.00 0.39 C ATOM 156 O ARG A 11 4.416 5.881 -0.278 1.00 0.41 O ATOM 157 CB ARG A 11 3.799 6.654 -3.563 1.00 0.42 C ATOM 158 CG ARG A 11 5.186 7.227 -3.513 1.00 0.52 C ATOM 159 CD ARG A 11 5.334 8.251 -4.610 1.00 0.71 C ATOM 160 NE ARG A 11 6.682 8.783 -4.708 1.00 1.21 N ATOM 161 CZ ARG A 11 7.015 9.861 -5.415 1.00 1.60 C ATOM 162 NH1 ARG A 11 6.062 10.662 -5.906 1.00 1.92 N ATOM 163 NH2 ARG A 11 8.300 10.162 -5.593 1.00 2.46 N ATOM 0 H ARG A 11 1.650 5.605 -3.547 1.00 0.36 H new ATOM 0 HA ARG A 11 4.036 4.801 -2.467 1.00 0.38 H new ATOM 0 HB2 ARG A 11 3.680 6.134 -4.513 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.089 7.481 -3.561 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.369 7.687 -2.542 1.00 0.52 H new ATOM 0 HG3 ARG A 11 5.925 6.435 -3.635 1.00 0.52 H new ATOM 0 HD2 ARG A 11 5.057 7.799 -5.562 1.00 0.71 H new ATOM 0 HD3 ARG A 11 4.637 9.070 -4.432 1.00 0.71 H new ATOM 0 HE ARG A 11 7.423 8.298 -4.201 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.079 10.447 -5.739 1.00 1.92 H new ATOM 0 HH12 ARG A 11 6.319 11.487 -6.447 1.00 1.92 H new ATOM 0 HH21 ARG A 11 9.024 9.568 -5.189 1.00 2.46 H new ATOM 0 HH22 ARG A 11 8.560 10.987 -6.134 1.00 2.46 H new ATOM 177 N ARG A 12 2.912 7.476 -0.855 1.00 0.42 N ATOM 178 CA ARG A 12 3.044 8.213 0.404 1.00 0.47 C ATOM 179 C ARG A 12 2.736 7.360 1.606 1.00 0.43 C ATOM 180 O ARG A 12 3.398 7.480 2.632 1.00 0.48 O ATOM 181 CB ARG A 12 2.213 9.484 0.446 1.00 0.60 C ATOM 182 CG ARG A 12 2.668 10.539 -0.519 1.00 1.18 C ATOM 183 CD ARG A 12 1.966 11.853 -0.256 1.00 1.47 C ATOM 184 NE ARG A 12 2.315 12.412 1.066 1.00 2.25 N ATOM 185 CZ ARG A 12 2.000 13.647 1.478 1.00 2.83 C ATOM 186 NH1 ARG A 12 1.329 14.469 0.667 1.00 2.60 N ATOM 187 NH2 ARG A 12 2.353 14.059 2.705 1.00 3.93 N ATOM 0 H ARG A 12 2.242 7.876 -1.512 1.00 0.42 H new ATOM 0 HA ARG A 12 4.094 8.504 0.446 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.174 9.234 0.233 1.00 0.60 H new ATOM 0 HB3 ARG A 12 2.242 9.892 1.456 1.00 0.60 H new ATOM 0 HG2 ARG A 12 3.746 10.675 -0.433 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.468 10.214 -1.540 1.00 1.18 H new ATOM 0 HD2 ARG A 12 2.233 12.568 -1.034 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.888 11.706 -0.314 1.00 1.47 H new ATOM 0 HE ARG A 12 2.833 11.815 1.711 1.00 2.25 H new ATOM 0 HH11 ARG A 12 1.057 14.156 -0.265 1.00 2.60 H new ATOM 0 HH12 ARG A 12 1.089 15.410 0.980 1.00 2.60 H new ATOM 0 HH21 ARG A 12 2.863 13.431 3.327 1.00 3.93 H new ATOM 0 HH22 ARG A 12 2.112 15.000 3.016 1.00 3.93 H new ATOM 201 N ALA A 13 1.766 6.473 1.466 1.00 0.40 N ATOM 202 CA ALA A 13 1.371 5.604 2.552 1.00 0.42 C ATOM 203 C ALA A 13 2.541 4.723 2.962 1.00 0.41 C ATOM 204 O ALA A 13 2.842 4.596 4.153 1.00 0.50 O ATOM 205 CB ALA A 13 0.169 4.762 2.157 1.00 0.45 C ATOM 0 H ALA A 13 1.237 6.338 0.604 1.00 0.40 H new ATOM 0 HA ALA A 13 1.081 6.217 3.406 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.111 4.116 2.989 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.667 5.416 1.908 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.422 4.150 1.291 1.00 0.45 H new ATOM 211 N LEU A 14 3.226 4.157 1.976 1.00 0.38 N ATOM 212 CA LEU A 14 4.405 3.343 2.241 1.00 0.46 C ATOM 213 C LEU A 14 5.540 4.167 2.822 1.00 0.54 C ATOM 214 O LEU A 14 6.198 3.726 3.755 1.00 0.69 O ATOM 215 CB LEU A 14 4.898 2.554 1.022 1.00 0.48 C ATOM 216 CG LEU A 14 4.179 1.243 0.684 1.00 0.54 C ATOM 217 CD1 LEU A 14 2.790 1.468 0.140 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.013 0.432 -0.272 1.00 1.44 C ATOM 0 H LEU A 14 2.986 4.246 0.989 1.00 0.38 H new ATOM 0 HA LEU A 14 4.081 2.612 2.981 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.833 3.206 0.151 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.954 2.328 1.173 1.00 0.48 H new ATOM 0 HG LEU A 14 4.057 0.685 1.612 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.326 0.507 -0.083 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.190 1.997 0.881 1.00 1.21 H new ATOM 0 HD13 LEU A 14 2.848 2.063 -0.772 1.00 1.21 H new ATOM 0 HD21 LEU A 14 4.496 -0.498 -0.507 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.173 1.001 -1.188 1.00 1.44 H new ATOM 0 HD23 LEU A 14 5.976 0.206 0.187 1.00 1.44 H new ATOM 230 N VAL A 15 5.760 5.359 2.281 1.00 0.53 N ATOM 231 CA VAL A 15 6.813 6.264 2.779 1.00 0.63 C ATOM 232 C VAL A 15 6.637 6.505 4.279 1.00 0.66 C ATOM 233 O VAL A 15 7.575 6.324 5.070 1.00 0.80 O ATOM 234 CB VAL A 15 6.788 7.631 2.029 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.802 8.604 2.623 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.076 7.431 0.551 1.00 0.71 C ATOM 0 H VAL A 15 5.227 5.731 1.495 1.00 0.53 H new ATOM 0 HA VAL A 15 7.775 5.785 2.594 1.00 0.63 H new ATOM 0 HB VAL A 15 5.791 8.056 2.147 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.762 9.548 2.080 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.567 8.779 3.673 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.803 8.181 2.541 1.00 0.76 H new ATOM 0 HG21 VAL A 15 7.055 8.395 0.042 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.060 6.979 0.430 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.320 6.776 0.118 1.00 0.71 H new ATOM 246 N GLU A 16 5.442 6.888 4.652 1.00 0.62 N ATOM 247 CA GLU A 16 5.107 7.179 6.028 1.00 0.71 C ATOM 248 C GLU A 16 5.224 5.949 6.933 1.00 0.74 C ATOM 249 O GLU A 16 5.549 6.075 8.106 1.00 0.89 O ATOM 250 CB GLU A 16 3.695 7.740 6.113 1.00 0.79 C ATOM 251 CG GLU A 16 3.474 8.968 5.265 1.00 0.87 C ATOM 252 CD GLU A 16 4.344 10.123 5.647 1.00 1.20 C ATOM 253 OE1 GLU A 16 3.968 10.890 6.536 1.00 1.38 O ATOM 254 OE2 GLU A 16 5.453 10.242 5.101 1.00 2.05 O ATOM 0 H GLU A 16 4.664 7.009 4.004 1.00 0.62 H new ATOM 0 HA GLU A 16 5.827 7.917 6.382 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.989 6.968 5.808 1.00 0.79 H new ATOM 0 HB3 GLU A 16 3.473 7.983 7.152 1.00 0.79 H new ATOM 0 HG2 GLU A 16 3.657 8.716 4.220 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.429 9.269 5.342 1.00 0.87 H new ATOM 261 N SER A 17 4.946 4.777 6.401 1.00 0.68 N ATOM 262 CA SER A 17 4.937 3.565 7.210 1.00 0.77 C ATOM 263 C SER A 17 6.271 2.819 7.172 1.00 0.89 C ATOM 264 O SER A 17 6.447 1.807 7.862 1.00 1.15 O ATOM 265 CB SER A 17 3.777 2.667 6.792 1.00 0.73 C ATOM 266 OG SER A 17 3.772 2.479 5.391 1.00 1.39 O ATOM 0 H SER A 17 4.723 4.633 5.416 1.00 0.68 H new ATOM 0 HA SER A 17 4.793 3.863 8.249 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.858 1.703 7.293 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.834 3.112 7.108 1.00 0.73 H new ATOM 0 HG SER A 17 3.277 3.209 4.965 1.00 1.39 H new ATOM 272 N ALA A 18 7.212 3.331 6.380 1.00 0.82 N ATOM 273 CA ALA A 18 8.534 2.726 6.249 1.00 1.03 C ATOM 274 C ALA A 18 9.307 2.821 7.557 1.00 1.22 C ATOM 275 O ALA A 18 10.193 2.005 7.833 1.00 1.58 O ATOM 276 CB ALA A 18 9.315 3.384 5.120 1.00 1.03 C ATOM 0 H ALA A 18 7.080 4.170 5.816 1.00 0.82 H new ATOM 0 HA ALA A 18 8.400 1.671 6.008 1.00 1.03 H new ATOM 0 HB1 ALA A 18 10.298 2.919 5.038 1.00 1.03 H new ATOM 0 HB2 ALA A 18 8.775 3.258 4.182 1.00 1.03 H new ATOM 0 HB3 ALA A 18 9.433 4.447 5.330 1.00 1.03 H new ATOM 282 N GLY A 19 8.961 3.809 8.360 1.00 1.23 N ATOM 283 CA GLY A 19 9.593 3.971 9.642 1.00 1.56 C ATOM 284 C GLY A 19 9.915 5.407 9.940 1.00 1.74 C ATOM 285 O GLY A 19 9.105 6.121 10.521 1.00 2.32 O ATOM 0 H GLY A 19 8.248 4.505 8.143 1.00 1.23 H new ATOM 0 HA2 GLY A 19 8.938 3.579 10.420 1.00 1.56 H new ATOM 0 HA3 GLY A 19 10.510 3.382 9.670 1.00 1.56 H new ATOM 289 N GLU A 20 11.039 5.858 9.443 1.00 2.01 N ATOM 290 CA GLU A 20 11.556 7.202 9.718 1.00 2.53 C ATOM 291 C GLU A 20 11.138 8.147 8.613 1.00 2.51 C ATOM 292 O GLU A 20 11.755 9.201 8.407 1.00 3.17 O ATOM 293 CB GLU A 20 13.086 7.148 9.779 1.00 3.47 C ATOM 294 CG GLU A 20 13.633 6.278 10.891 1.00 4.03 C ATOM 295 CD GLU A 20 13.264 6.798 12.252 1.00 4.59 C ATOM 296 OE1 GLU A 20 13.976 7.655 12.797 1.00 5.17 O ATOM 297 OE2 GLU A 20 12.239 6.355 12.813 1.00 4.85 O ATOM 0 H GLU A 20 11.638 5.307 8.828 1.00 2.01 H new ATOM 0 HA GLU A 20 11.156 7.556 10.668 1.00 2.53 H new ATOM 0 HB2 GLU A 20 13.464 6.779 8.825 1.00 3.47 H new ATOM 0 HB3 GLU A 20 13.469 8.161 9.903 1.00 3.47 H new ATOM 0 HG2 GLU A 20 13.253 5.263 10.776 1.00 4.03 H new ATOM 0 HG3 GLU A 20 14.718 6.223 10.807 1.00 4.03 H new ATOM 304 N THR A 21 10.046 7.787 7.940 1.00 2.53 N ATOM 305 CA THR A 21 9.564 8.458 6.741 1.00 3.19 C ATOM 306 C THR A 21 10.692 8.553 5.739 1.00 3.12 C ATOM 307 O THR A 21 11.037 9.609 5.203 1.00 3.48 O ATOM 308 CB THR A 21 8.874 9.822 6.987 1.00 4.10 C ATOM 309 OG1 THR A 21 9.724 10.750 7.693 1.00 4.58 O ATOM 310 CG2 THR A 21 7.563 9.646 7.733 1.00 4.86 C ATOM 0 H THR A 21 9.460 7.001 8.223 1.00 2.53 H new ATOM 0 HA THR A 21 8.761 7.844 6.335 1.00 3.19 H new ATOM 0 HB THR A 21 8.669 10.245 6.004 1.00 4.10 H new ATOM 0 HG1 THR A 21 10.645 10.416 7.691 1.00 4.58 H new ATOM 0 HG21 THR A 21 7.101 10.620 7.892 1.00 4.86 H new ATOM 0 HG22 THR A 21 6.892 9.018 7.147 1.00 4.86 H new ATOM 0 HG23 THR A 21 7.753 9.174 8.697 1.00 4.86 H new ATOM 318 N ASP A 22 11.272 7.404 5.579 1.00 3.06 N ATOM 319 CA ASP A 22 12.452 7.103 4.787 1.00 3.18 C ATOM 320 C ASP A 22 12.365 7.706 3.412 1.00 2.90 C ATOM 321 O ASP A 22 13.215 8.505 3.021 1.00 3.34 O ATOM 322 CB ASP A 22 12.597 5.578 4.673 1.00 3.66 C ATOM 323 CG ASP A 22 12.665 4.868 6.023 1.00 4.04 C ATOM 324 OD1 ASP A 22 11.771 5.070 6.870 1.00 4.50 O ATOM 325 OD2 ASP A 22 13.658 4.149 6.282 1.00 4.28 O ATOM 0 H ASP A 22 10.907 6.568 6.036 1.00 3.06 H new ATOM 0 HA ASP A 22 13.321 7.534 5.284 1.00 3.18 H new ATOM 0 HB2 ASP A 22 11.754 5.183 4.106 1.00 3.66 H new ATOM 0 HB3 ASP A 22 13.499 5.349 4.105 1.00 3.66 H new ATOM 330 N GLY A 23 11.331 7.357 2.695 1.00 2.71 N ATOM 331 CA GLY A 23 11.165 7.879 1.372 1.00 2.74 C ATOM 332 C GLY A 23 11.857 7.021 0.360 1.00 2.39 C ATOM 333 O GLY A 23 12.780 7.468 -0.328 1.00 2.77 O ATOM 0 H GLY A 23 10.598 6.718 3.004 1.00 2.71 H new ATOM 0 HA2 GLY A 23 10.103 7.942 1.134 1.00 2.74 H new ATOM 0 HA3 GLY A 23 11.563 8.893 1.326 1.00 2.74 H new ATOM 337 N THR A 24 11.424 5.792 0.275 1.00 2.07 N ATOM 338 CA THR A 24 11.937 4.848 -0.667 1.00 1.91 C ATOM 339 C THR A 24 11.618 5.314 -2.104 1.00 1.88 C ATOM 340 O THR A 24 10.646 6.081 -2.312 1.00 2.57 O ATOM 341 CB THR A 24 11.312 3.482 -0.346 1.00 2.18 C ATOM 342 OG1 THR A 24 9.977 3.711 0.188 1.00 2.87 O ATOM 343 CG2 THR A 24 12.148 2.733 0.684 1.00 2.46 C ATOM 0 H THR A 24 10.689 5.416 0.874 1.00 2.07 H new ATOM 0 HA THR A 24 13.022 4.766 -0.597 1.00 1.91 H new ATOM 0 HB THR A 24 11.270 2.879 -1.253 1.00 2.18 H new ATOM 0 HG1 THR A 24 9.750 2.996 0.819 1.00 2.87 H new ATOM 0 HG21 THR A 24 11.686 1.769 0.896 1.00 2.46 H new ATOM 0 HG22 THR A 24 13.153 2.576 0.292 1.00 2.46 H new ATOM 0 HG23 THR A 24 12.204 3.318 1.602 1.00 2.46 H new ATOM 351 N ASP A 25 12.420 4.898 -3.075 1.00 1.70 N ATOM 352 CA ASP A 25 12.255 5.370 -4.451 1.00 1.79 C ATOM 353 C ASP A 25 11.070 4.707 -5.151 1.00 1.40 C ATOM 354 O ASP A 25 11.186 3.710 -5.857 1.00 1.51 O ATOM 355 CB ASP A 25 13.545 5.267 -5.267 1.00 2.34 C ATOM 356 CG ASP A 25 13.416 5.909 -6.633 1.00 2.77 C ATOM 357 OD1 ASP A 25 13.190 7.119 -6.711 1.00 3.23 O ATOM 358 OD2 ASP A 25 13.505 5.185 -7.654 1.00 3.17 O ATOM 0 H ASP A 25 13.187 4.239 -2.941 1.00 1.70 H new ATOM 0 HA ASP A 25 12.022 6.433 -4.384 1.00 1.79 H new ATOM 0 HB2 ASP A 25 14.357 5.744 -4.719 1.00 2.34 H new ATOM 0 HB3 ASP A 25 13.814 4.217 -5.386 1.00 2.34 H new ATOM 363 N LEU A 26 9.927 5.263 -4.876 1.00 1.16 N ATOM 364 CA LEU A 26 8.629 4.828 -5.363 1.00 0.93 C ATOM 365 C LEU A 26 8.132 5.858 -6.363 1.00 0.82 C ATOM 366 O LEU A 26 6.930 6.059 -6.540 1.00 0.80 O ATOM 367 CB LEU A 26 7.663 4.764 -4.156 1.00 0.99 C ATOM 368 CG LEU A 26 7.653 3.490 -3.266 1.00 0.82 C ATOM 369 CD1 LEU A 26 9.036 3.003 -2.900 1.00 0.95 C ATOM 370 CD2 LEU A 26 6.855 3.755 -2.000 1.00 1.03 C ATOM 0 H LEU A 26 9.860 6.081 -4.271 1.00 1.16 H new ATOM 0 HA LEU A 26 8.690 3.850 -5.840 1.00 0.93 H new ATOM 0 HB2 LEU A 26 7.885 5.614 -3.511 1.00 0.99 H new ATOM 0 HB3 LEU A 26 6.652 4.908 -4.536 1.00 0.99 H new ATOM 0 HG LEU A 26 7.187 2.701 -3.856 1.00 0.82 H new ATOM 0 HD11 LEU A 26 8.955 2.111 -2.278 1.00 0.95 H new ATOM 0 HD12 LEU A 26 9.589 2.763 -3.808 1.00 0.95 H new ATOM 0 HD13 LEU A 26 9.562 3.783 -2.349 1.00 0.95 H new ATOM 0 HD21 LEU A 26 6.850 2.859 -1.379 1.00 1.03 H new ATOM 0 HD22 LEU A 26 7.311 4.577 -1.448 1.00 1.03 H new ATOM 0 HD23 LEU A 26 5.831 4.019 -2.264 1.00 1.03 H new ATOM 382 N SER A 27 9.075 6.466 -7.031 1.00 0.90 N ATOM 383 CA SER A 27 8.850 7.569 -7.924 1.00 0.92 C ATOM 384 C SER A 27 8.024 7.198 -9.171 1.00 0.91 C ATOM 385 O SER A 27 8.533 6.601 -10.133 1.00 1.08 O ATOM 386 CB SER A 27 10.199 8.142 -8.317 1.00 1.15 C ATOM 387 OG SER A 27 10.980 8.403 -7.147 1.00 1.46 O ATOM 0 H SER A 27 10.057 6.196 -6.965 1.00 0.90 H new ATOM 0 HA SER A 27 8.250 8.312 -7.398 1.00 0.92 H new ATOM 0 HB2 SER A 27 10.725 7.442 -8.967 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.061 9.062 -8.885 1.00 1.15 H new ATOM 0 HG SER A 27 11.889 8.060 -7.277 1.00 1.46 H new ATOM 393 N GLY A 28 6.743 7.521 -9.128 1.00 0.93 N ATOM 394 CA GLY A 28 5.876 7.337 -10.269 1.00 0.99 C ATOM 395 C GLY A 28 5.266 5.963 -10.348 1.00 0.85 C ATOM 396 O GLY A 28 4.066 5.801 -10.141 1.00 1.02 O ATOM 0 H GLY A 28 6.282 7.914 -8.307 1.00 0.93 H new ATOM 0 HA2 GLY A 28 5.078 8.078 -10.231 1.00 0.99 H new ATOM 0 HA3 GLY A 28 6.444 7.526 -11.180 1.00 0.99 H new ATOM 400 N ASP A 29 6.087 4.988 -10.624 1.00 0.70 N ATOM 401 CA ASP A 29 5.644 3.613 -10.791 1.00 0.64 C ATOM 402 C ASP A 29 6.598 2.682 -10.105 1.00 0.55 C ATOM 403 O ASP A 29 7.793 2.653 -10.426 1.00 0.74 O ATOM 404 CB ASP A 29 5.533 3.249 -12.280 1.00 0.80 C ATOM 405 CG ASP A 29 5.208 1.778 -12.522 1.00 1.29 C ATOM 406 OD1 ASP A 29 4.044 1.360 -12.266 1.00 1.68 O ATOM 407 OD2 ASP A 29 6.099 1.012 -12.955 1.00 2.07 O ATOM 0 H ASP A 29 7.092 5.116 -10.742 1.00 0.70 H new ATOM 0 HA ASP A 29 4.657 3.513 -10.340 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.760 3.865 -12.740 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.472 3.492 -12.777 1.00 0.80 H new ATOM 412 N PHE A 30 6.103 1.948 -9.145 1.00 0.39 N ATOM 413 CA PHE A 30 6.939 1.011 -8.434 1.00 0.34 C ATOM 414 C PHE A 30 6.200 -0.315 -8.247 1.00 0.31 C ATOM 415 O PHE A 30 6.611 -1.167 -7.471 1.00 0.31 O ATOM 416 CB PHE A 30 7.405 1.598 -7.077 1.00 0.35 C ATOM 417 CG PHE A 30 6.340 1.717 -6.010 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.356 2.680 -6.131 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.322 0.885 -4.899 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.372 2.814 -5.181 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.335 1.014 -3.933 1.00 0.38 C ATOM 422 CZ PHE A 30 4.400 1.887 -4.022 1.00 0.42 C ATOM 0 H PHE A 30 5.131 1.978 -8.836 1.00 0.39 H new ATOM 0 HA PHE A 30 7.834 0.822 -9.027 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.211 0.974 -6.691 1.00 0.35 H new ATOM 0 HB3 PHE A 30 7.825 2.588 -7.256 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.360 3.339 -6.987 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.085 0.129 -4.786 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.605 3.568 -5.275 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.355 0.357 -3.076 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.638 1.947 -3.259 1.00 0.42 H new ATOM 432 N LEU A 31 5.124 -0.479 -9.004 1.00 0.31 N ATOM 433 CA LEU A 31 4.247 -1.651 -8.944 1.00 0.31 C ATOM 434 C LEU A 31 4.959 -3.014 -9.101 1.00 0.31 C ATOM 435 O LEU A 31 4.428 -4.024 -8.650 1.00 0.35 O ATOM 436 CB LEU A 31 3.084 -1.539 -9.931 1.00 0.33 C ATOM 437 CG LEU A 31 2.132 -0.348 -9.743 1.00 0.34 C ATOM 438 CD1 LEU A 31 0.978 -0.456 -10.700 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.607 -0.278 -8.327 1.00 0.32 C ATOM 0 H LEU A 31 4.826 0.211 -9.693 1.00 0.31 H new ATOM 0 HA LEU A 31 3.860 -1.640 -7.925 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.496 -1.489 -10.939 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.498 -2.456 -9.872 1.00 0.33 H new ATOM 0 HG LEU A 31 2.695 0.563 -9.945 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.308 0.392 -10.560 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.353 -0.457 -11.723 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.435 -1.382 -10.512 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.937 0.576 -8.229 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.064 -1.194 -8.095 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.441 -0.165 -7.635 1.00 0.32 H new ATOM 451 N ASP A 32 6.128 -3.043 -9.741 1.00 0.31 N ATOM 452 CA ASP A 32 6.849 -4.322 -9.947 1.00 0.37 C ATOM 453 C ASP A 32 7.903 -4.577 -8.868 1.00 0.37 C ATOM 454 O ASP A 32 8.554 -5.642 -8.852 1.00 0.45 O ATOM 455 CB ASP A 32 7.500 -4.430 -11.356 1.00 0.48 C ATOM 456 CG ASP A 32 8.659 -3.467 -11.610 1.00 1.29 C ATOM 457 OD1 ASP A 32 9.775 -3.691 -11.105 1.00 1.83 O ATOM 458 OD2 ASP A 32 8.489 -2.488 -12.382 1.00 2.04 O ATOM 0 H ASP A 32 6.597 -2.221 -10.122 1.00 0.31 H new ATOM 0 HA ASP A 32 6.083 -5.094 -9.871 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.858 -5.450 -11.497 1.00 0.48 H new ATOM 0 HB3 ASP A 32 6.731 -4.255 -12.109 1.00 0.48 H new ATOM 463 N LEU A 33 8.068 -3.625 -7.975 1.00 0.35 N ATOM 464 CA LEU A 33 9.033 -3.745 -6.891 1.00 0.37 C ATOM 465 C LEU A 33 8.470 -4.584 -5.764 1.00 0.34 C ATOM 466 O LEU A 33 7.304 -4.478 -5.430 1.00 0.40 O ATOM 467 CB LEU A 33 9.485 -2.368 -6.340 1.00 0.41 C ATOM 468 CG LEU A 33 10.477 -1.536 -7.185 1.00 0.51 C ATOM 469 CD1 LEU A 33 9.899 -1.135 -8.524 1.00 1.37 C ATOM 470 CD2 LEU A 33 10.920 -0.305 -6.415 1.00 1.27 C ATOM 0 H LEU A 33 7.544 -2.750 -7.975 1.00 0.35 H new ATOM 0 HA LEU A 33 9.911 -4.237 -7.311 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.592 -1.763 -6.182 1.00 0.41 H new ATOM 0 HB3 LEU A 33 9.936 -2.532 -5.362 1.00 0.41 H new ATOM 0 HG LEU A 33 11.341 -2.171 -7.384 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.635 -0.553 -9.078 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.641 -2.029 -9.092 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.003 -0.534 -8.368 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.618 0.272 -7.022 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.051 0.309 -6.179 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.409 -0.611 -5.490 1.00 1.27 H new ATOM 482 N ARG A 34 9.282 -5.424 -5.213 1.00 0.33 N ATOM 483 CA ARG A 34 8.882 -6.235 -4.081 1.00 0.34 C ATOM 484 C ARG A 34 8.962 -5.418 -2.813 1.00 0.29 C ATOM 485 O ARG A 34 9.903 -4.639 -2.641 1.00 0.34 O ATOM 486 CB ARG A 34 9.771 -7.458 -3.960 1.00 0.47 C ATOM 487 CG ARG A 34 9.478 -8.556 -4.950 1.00 0.61 C ATOM 488 CD ARG A 34 8.144 -9.188 -4.656 1.00 1.10 C ATOM 489 NE ARG A 34 8.016 -10.491 -5.294 1.00 1.91 N ATOM 490 CZ ARG A 34 7.730 -11.622 -4.640 1.00 3.03 C ATOM 491 NH1 ARG A 34 7.630 -11.634 -3.312 1.00 3.63 N ATOM 492 NH2 ARG A 34 7.601 -12.747 -5.311 1.00 3.94 N ATOM 0 H ARG A 34 10.241 -5.577 -5.524 1.00 0.33 H new ATOM 0 HA ARG A 34 7.855 -6.565 -4.236 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.809 -7.148 -4.080 1.00 0.47 H new ATOM 0 HB3 ARG A 34 9.674 -7.862 -2.952 1.00 0.47 H new ATOM 0 HG2 ARG A 34 9.480 -8.151 -5.962 1.00 0.61 H new ATOM 0 HG3 ARG A 34 10.262 -9.312 -4.907 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.022 -9.296 -3.578 1.00 1.10 H new ATOM 0 HD3 ARG A 34 7.346 -8.532 -5.003 1.00 1.10 H new ATOM 0 HE ARG A 34 8.153 -10.544 -6.303 1.00 1.91 H new ATOM 0 HH11 ARG A 34 7.772 -10.774 -2.782 1.00 3.63 H new ATOM 0 HH12 ARG A 34 7.411 -12.503 -2.825 1.00 3.63 H new ATOM 0 HH21 ARG A 34 7.719 -12.753 -6.324 1.00 3.94 H new ATOM 0 HH22 ARG A 34 7.383 -13.613 -4.818 1.00 3.94 H new ATOM 506 N PHE A 35 8.016 -5.600 -1.915 1.00 0.25 N ATOM 507 CA PHE A 35 8.027 -4.856 -0.663 1.00 0.24 C ATOM 508 C PHE A 35 9.197 -5.314 0.187 1.00 0.27 C ATOM 509 O PHE A 35 9.916 -4.507 0.775 1.00 0.29 O ATOM 510 CB PHE A 35 6.734 -5.032 0.114 1.00 0.26 C ATOM 511 CG PHE A 35 5.508 -4.642 -0.616 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.350 -3.356 -1.034 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.520 -5.563 -0.894 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.239 -2.973 -1.720 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.397 -5.184 -1.585 1.00 0.32 C ATOM 516 CZ PHE A 35 3.209 -3.959 -1.943 1.00 0.35 C ATOM 0 H PHE A 35 7.236 -6.248 -2.022 1.00 0.25 H new ATOM 0 HA PHE A 35 8.127 -3.798 -0.905 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.645 -6.077 0.410 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.796 -4.445 1.030 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.118 -2.629 -0.818 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.631 -6.586 -0.567 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.131 -1.963 -2.086 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.654 -5.927 -1.835 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.279 -3.671 -2.410 1.00 0.35 H new ATOM 526 N GLU A 36 9.386 -6.613 0.216 1.00 0.37 N ATOM 527 CA GLU A 36 10.483 -7.280 0.923 1.00 0.47 C ATOM 528 C GLU A 36 11.820 -6.705 0.468 1.00 0.46 C ATOM 529 O GLU A 36 12.741 -6.512 1.263 1.00 0.51 O ATOM 530 CB GLU A 36 10.497 -8.805 0.634 1.00 0.64 C ATOM 531 CG GLU A 36 9.144 -9.525 0.694 1.00 1.56 C ATOM 532 CD GLU A 36 8.284 -9.246 -0.528 1.00 2.12 C ATOM 533 OE1 GLU A 36 8.461 -9.917 -1.544 1.00 2.79 O ATOM 534 OE2 GLU A 36 7.464 -8.318 -0.491 1.00 2.45 O ATOM 0 H GLU A 36 8.767 -7.266 -0.264 1.00 0.37 H new ATOM 0 HA GLU A 36 10.331 -7.114 1.990 1.00 0.47 H new ATOM 0 HB2 GLU A 36 10.923 -8.961 -0.357 1.00 0.64 H new ATOM 0 HB3 GLU A 36 11.169 -9.281 1.348 1.00 0.64 H new ATOM 0 HG2 GLU A 36 9.311 -10.599 0.780 1.00 1.56 H new ATOM 0 HG3 GLU A 36 8.609 -9.212 1.591 1.00 1.56 H new ATOM 541 N ASP A 37 11.864 -6.362 -0.799 1.00 0.44 N ATOM 542 CA ASP A 37 13.055 -5.866 -1.472 1.00 0.50 C ATOM 543 C ASP A 37 13.288 -4.399 -1.161 1.00 0.48 C ATOM 544 O ASP A 37 14.431 -3.952 -1.050 1.00 0.60 O ATOM 545 CB ASP A 37 12.887 -6.078 -2.978 1.00 0.57 C ATOM 546 CG ASP A 37 13.918 -5.386 -3.824 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.012 -5.925 -4.019 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.623 -4.313 -4.357 1.00 0.88 O ATOM 0 H ASP A 37 11.051 -6.420 -1.413 1.00 0.44 H new ATOM 0 HA ASP A 37 13.927 -6.414 -1.115 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.922 -7.147 -3.188 1.00 0.57 H new ATOM 0 HB3 ASP A 37 11.898 -5.727 -3.273 1.00 0.57 H new ATOM 553 N ILE A 38 12.217 -3.664 -0.948 1.00 0.40 N ATOM 554 CA ILE A 38 12.343 -2.261 -0.625 1.00 0.42 C ATOM 555 C ILE A 38 12.366 -2.031 0.893 1.00 0.42 C ATOM 556 O ILE A 38 12.250 -0.900 1.367 1.00 0.50 O ATOM 557 CB ILE A 38 11.283 -1.355 -1.330 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.850 -1.773 -0.969 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.477 -1.398 -2.837 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.772 -0.912 -1.600 1.00 0.60 C ATOM 0 H ILE A 38 11.259 -4.011 -0.992 1.00 0.40 H new ATOM 0 HA ILE A 38 13.307 -1.951 -1.028 1.00 0.42 H new ATOM 0 HB ILE A 38 11.430 -0.335 -0.976 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.698 -2.808 -1.275 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.737 -1.741 0.115 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.733 -0.763 -3.318 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.476 -1.039 -3.086 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.362 -2.423 -3.190 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.791 -1.275 -1.294 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.895 0.121 -1.275 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.855 -0.963 -2.686 1.00 0.60 H new ATOM 572 N GLY A 39 12.598 -3.109 1.637 1.00 0.42 N ATOM 573 CA GLY A 39 12.781 -3.022 3.078 1.00 0.50 C ATOM 574 C GLY A 39 11.491 -3.012 3.865 1.00 0.47 C ATOM 575 O GLY A 39 11.390 -2.337 4.898 1.00 0.66 O ATOM 0 H GLY A 39 12.663 -4.055 1.262 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.389 -3.865 3.408 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.341 -2.116 3.308 1.00 0.50 H new ATOM 579 N TYR A 40 10.505 -3.724 3.391 1.00 0.36 N ATOM 580 CA TYR A 40 9.230 -3.804 4.071 1.00 0.36 C ATOM 581 C TYR A 40 8.944 -5.199 4.524 1.00 0.42 C ATOM 582 O TYR A 40 8.963 -6.133 3.725 1.00 0.59 O ATOM 583 CB TYR A 40 8.083 -3.334 3.177 1.00 0.36 C ATOM 584 CG TYR A 40 8.024 -1.855 2.944 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.068 -1.206 2.324 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.943 -1.109 3.360 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.033 0.145 2.117 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.889 0.238 3.164 1.00 0.90 C ATOM 589 CZ TYR A 40 7.906 0.860 2.488 1.00 1.04 C ATOM 590 OH TYR A 40 7.859 2.224 2.366 1.00 1.33 O ATOM 0 H TYR A 40 10.557 -4.264 2.527 1.00 0.36 H new ATOM 0 HA TYR A 40 9.300 -3.146 4.937 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.166 -3.835 2.213 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.141 -3.654 3.623 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.927 -1.772 1.996 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.119 -1.604 3.853 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.876 0.650 1.669 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.053 0.810 3.538 1.00 0.90 H new ATOM 0 HH TYR A 40 7.340 2.601 3.107 1.00 1.33 H new ATOM 600 N ASP A 41 8.721 -5.354 5.793 1.00 0.42 N ATOM 601 CA ASP A 41 8.257 -6.620 6.318 1.00 0.51 C ATOM 602 C ASP A 41 6.784 -6.619 6.173 1.00 0.44 C ATOM 603 O ASP A 41 6.175 -5.549 6.183 1.00 0.38 O ATOM 604 CB ASP A 41 8.577 -6.806 7.797 1.00 0.67 C ATOM 605 CG ASP A 41 10.040 -6.798 8.104 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.763 -7.684 7.623 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.501 -5.882 8.824 1.00 0.99 O ATOM 0 H ASP A 41 8.850 -4.623 6.493 1.00 0.42 H new ATOM 0 HA ASP A 41 8.753 -7.424 5.774 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.092 -6.013 8.367 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.149 -7.750 8.136 1.00 0.67 H new ATOM 612 N SER A 42 6.203 -7.770 6.021 1.00 0.51 N ATOM 613 CA SER A 42 4.770 -7.896 5.885 1.00 0.48 C ATOM 614 C SER A 42 3.985 -7.205 7.037 1.00 0.41 C ATOM 615 O SER A 42 2.927 -6.640 6.814 1.00 0.37 O ATOM 616 CB SER A 42 4.397 -9.353 5.696 1.00 0.59 C ATOM 617 OG SER A 42 4.967 -10.168 6.721 1.00 1.03 O ATOM 0 H SER A 42 6.705 -8.657 5.987 1.00 0.51 H new ATOM 0 HA SER A 42 4.466 -7.354 4.990 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.312 -9.458 5.705 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.742 -9.696 4.721 1.00 0.59 H new ATOM 0 HG SER A 42 4.710 -11.103 6.577 1.00 1.03 H new ATOM 623 N LEU A 43 4.540 -7.232 8.250 1.00 0.45 N ATOM 624 CA LEU A 43 3.918 -6.577 9.406 1.00 0.46 C ATOM 625 C LEU A 43 3.932 -5.049 9.195 1.00 0.41 C ATOM 626 O LEU A 43 2.915 -4.380 9.401 1.00 0.41 O ATOM 627 CB LEU A 43 4.658 -7.000 10.710 1.00 0.59 C ATOM 628 CG LEU A 43 3.989 -6.696 12.083 1.00 0.75 C ATOM 629 CD1 LEU A 43 4.718 -7.440 13.185 1.00 1.56 C ATOM 630 CD2 LEU A 43 3.996 -5.208 12.411 1.00 1.24 C ATOM 0 H LEU A 43 5.421 -7.701 8.459 1.00 0.45 H new ATOM 0 HA LEU A 43 2.878 -6.889 9.506 1.00 0.46 H new ATOM 0 HB2 LEU A 43 4.831 -8.075 10.658 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.636 -6.519 10.706 1.00 0.59 H new ATOM 0 HG LEU A 43 2.952 -7.025 12.015 1.00 0.75 H new ATOM 0 HD11 LEU A 43 4.246 -7.224 14.144 1.00 1.56 H new ATOM 0 HD12 LEU A 43 4.673 -8.512 12.992 1.00 1.56 H new ATOM 0 HD13 LEU A 43 5.760 -7.120 13.213 1.00 1.56 H new ATOM 0 HD21 LEU A 43 3.519 -5.046 13.378 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.024 -4.849 12.449 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.450 -4.663 11.641 1.00 1.24 H new ATOM 642 N ALA A 44 5.079 -4.518 8.766 1.00 0.39 N ATOM 643 CA ALA A 44 5.229 -3.084 8.467 1.00 0.39 C ATOM 644 C ALA A 44 4.305 -2.696 7.329 1.00 0.34 C ATOM 645 O ALA A 44 3.674 -1.650 7.348 1.00 0.40 O ATOM 646 CB ALA A 44 6.669 -2.760 8.091 1.00 0.43 C ATOM 0 H ALA A 44 5.928 -5.063 8.615 1.00 0.39 H new ATOM 0 HA ALA A 44 4.966 -2.516 9.359 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.758 -1.696 7.874 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.328 -3.017 8.920 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.953 -3.335 7.210 1.00 0.43 H new ATOM 652 N LEU A 45 4.221 -3.582 6.365 1.00 0.29 N ATOM 653 CA LEU A 45 3.385 -3.432 5.193 1.00 0.28 C ATOM 654 C LEU A 45 1.907 -3.355 5.603 1.00 0.25 C ATOM 655 O LEU A 45 1.121 -2.585 5.041 1.00 0.26 O ATOM 656 CB LEU A 45 3.614 -4.642 4.301 1.00 0.30 C ATOM 657 CG LEU A 45 2.884 -4.673 2.984 1.00 0.33 C ATOM 658 CD1 LEU A 45 3.301 -3.500 2.134 1.00 0.43 C ATOM 659 CD2 LEU A 45 3.188 -5.967 2.282 1.00 0.38 C ATOM 0 H LEU A 45 4.748 -4.455 6.373 1.00 0.29 H new ATOM 0 HA LEU A 45 3.638 -2.514 4.663 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.682 -4.714 4.097 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.336 -5.534 4.863 1.00 0.30 H new ATOM 0 HG LEU A 45 1.810 -4.604 3.158 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.768 -3.531 1.184 1.00 0.43 H new ATOM 0 HD12 LEU A 45 3.063 -2.572 2.653 1.00 0.43 H new ATOM 0 HD13 LEU A 45 4.374 -3.548 1.949 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.662 -5.995 1.328 1.00 0.38 H new ATOM 0 HD22 LEU A 45 4.261 -6.043 2.107 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.861 -6.802 2.901 1.00 0.38 H new ATOM 671 N MET A 46 1.527 -4.169 6.571 1.00 0.24 N ATOM 672 CA MET A 46 0.180 -4.125 7.097 1.00 0.23 C ATOM 673 C MET A 46 -0.110 -2.803 7.764 1.00 0.25 C ATOM 674 O MET A 46 -1.219 -2.336 7.699 1.00 0.27 O ATOM 675 CB MET A 46 -0.133 -5.269 8.049 1.00 0.27 C ATOM 676 CG MET A 46 -0.199 -6.634 7.397 1.00 0.34 C ATOM 677 SD MET A 46 -0.544 -7.943 8.589 1.00 0.50 S ATOM 678 CE MET A 46 -2.080 -7.354 9.310 1.00 1.49 C ATOM 0 H MET A 46 2.132 -4.866 7.006 1.00 0.24 H new ATOM 0 HA MET A 46 -0.474 -4.240 6.233 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.626 -5.291 8.831 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.087 -5.068 8.536 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.973 -6.631 6.629 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.746 -6.841 6.896 1.00 0.34 H new ATOM 0 HE1 MET A 46 -2.494 -8.123 9.962 1.00 1.49 H new ATOM 0 HE2 MET A 46 -1.887 -6.452 9.890 1.00 1.49 H new ATOM 0 HE3 MET A 46 -2.792 -7.130 8.516 1.00 1.49 H new ATOM 688 N GLU A 47 0.905 -2.192 8.386 1.00 0.29 N ATOM 689 CA GLU A 47 0.749 -0.892 9.061 1.00 0.34 C ATOM 690 C GLU A 47 0.413 0.199 8.030 1.00 0.32 C ATOM 691 O GLU A 47 -0.306 1.165 8.321 1.00 0.36 O ATOM 692 CB GLU A 47 2.022 -0.534 9.852 1.00 0.45 C ATOM 693 CG GLU A 47 1.903 0.723 10.707 1.00 0.58 C ATOM 694 CD GLU A 47 3.166 1.037 11.470 1.00 1.03 C ATOM 695 OE1 GLU A 47 3.443 0.388 12.493 1.00 1.25 O ATOM 696 OE2 GLU A 47 3.918 1.950 11.069 1.00 1.88 O ATOM 0 H GLU A 47 1.848 -2.577 8.438 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.075 -0.960 9.771 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.282 -1.373 10.497 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.846 -0.404 9.150 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.652 1.569 10.067 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.080 0.600 11.411 1.00 0.58 H new ATOM 703 N THR A 48 0.895 -0.010 6.827 1.00 0.30 N ATOM 704 CA THR A 48 0.677 0.864 5.704 1.00 0.33 C ATOM 705 C THR A 48 -0.804 0.831 5.402 1.00 0.29 C ATOM 706 O THR A 48 -1.518 1.842 5.496 1.00 0.33 O ATOM 707 CB THR A 48 1.434 0.311 4.482 1.00 0.36 C ATOM 708 OG1 THR A 48 2.799 0.042 4.824 1.00 0.42 O ATOM 709 CG2 THR A 48 1.377 1.289 3.329 1.00 0.45 C ATOM 0 H THR A 48 1.469 -0.822 6.598 1.00 0.30 H new ATOM 0 HA THR A 48 1.021 1.875 5.922 1.00 0.33 H new ATOM 0 HB THR A 48 0.953 -0.618 4.175 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.287 0.887 4.910 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.918 0.878 2.476 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.338 1.462 3.050 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.834 2.232 3.629 1.00 0.45 H new ATOM 717 N ALA A 49 -1.252 -0.366 5.059 1.00 0.25 N ATOM 718 CA ALA A 49 -2.626 -0.644 4.770 1.00 0.24 C ATOM 719 C ALA A 49 -3.513 -0.268 5.956 1.00 0.22 C ATOM 720 O ALA A 49 -4.601 0.226 5.773 1.00 0.23 O ATOM 721 CB ALA A 49 -2.786 -2.111 4.407 1.00 0.27 C ATOM 0 H ALA A 49 -0.646 -1.182 4.975 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.941 -0.040 3.919 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.833 -2.319 4.188 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.180 -2.337 3.530 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.460 -2.730 5.243 1.00 0.27 H new ATOM 727 N ALA A 50 -3.002 -0.480 7.170 1.00 0.23 N ATOM 728 CA ALA A 50 -3.715 -0.172 8.398 1.00 0.26 C ATOM 729 C ALA A 50 -4.097 1.295 8.480 1.00 0.28 C ATOM 730 O ALA A 50 -5.233 1.645 8.834 1.00 0.30 O ATOM 731 CB ALA A 50 -2.929 -0.587 9.627 1.00 0.33 C ATOM 0 H ALA A 50 -2.074 -0.874 7.323 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.635 -0.756 8.375 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.497 -0.339 10.523 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.748 -1.662 9.598 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -1.976 -0.059 9.644 1.00 0.33 H new ATOM 737 N ARG A 51 -3.145 2.158 8.162 1.00 0.31 N ATOM 738 CA ARG A 51 -3.392 3.588 8.143 1.00 0.37 C ATOM 739 C ARG A 51 -4.385 3.933 7.054 1.00 0.36 C ATOM 740 O ARG A 51 -5.243 4.774 7.244 1.00 0.40 O ATOM 741 CB ARG A 51 -2.102 4.387 7.972 1.00 0.45 C ATOM 742 CG ARG A 51 -1.152 4.292 9.152 1.00 0.54 C ATOM 743 CD ARG A 51 0.100 5.107 8.906 1.00 0.70 C ATOM 744 NE ARG A 51 1.026 5.069 10.045 1.00 1.59 N ATOM 745 CZ ARG A 51 2.312 5.435 9.999 1.00 1.76 C ATOM 746 NH1 ARG A 51 2.809 5.953 8.897 1.00 1.27 N ATOM 747 NH2 ARG A 51 3.086 5.300 11.058 1.00 2.84 N ATOM 0 H ARG A 51 -2.193 1.891 7.913 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.816 3.864 9.109 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.588 4.038 7.076 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.355 5.434 7.807 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.650 4.647 10.054 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.884 3.250 9.325 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.606 4.731 8.017 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.177 6.141 8.701 1.00 0.70 H new ATOM 0 HE ARG A 51 0.661 4.739 10.938 1.00 1.59 H new ATOM 0 HH11 ARG A 51 2.214 6.076 8.078 1.00 1.27 H new ATOM 0 HH12 ARG A 51 3.789 6.232 8.862 1.00 1.27 H new ATOM 0 HH21 ARG A 51 2.705 4.914 11.922 1.00 2.84 H new ATOM 0 HH22 ARG A 51 4.065 5.582 11.013 1.00 2.84 H new ATOM 761 N LEU A 52 -4.281 3.244 5.929 1.00 0.32 N ATOM 762 CA LEU A 52 -5.196 3.426 4.819 1.00 0.34 C ATOM 763 C LEU A 52 -6.617 3.012 5.216 1.00 0.33 C ATOM 764 O LEU A 52 -7.582 3.721 4.908 1.00 0.37 O ATOM 765 CB LEU A 52 -4.697 2.645 3.604 1.00 0.35 C ATOM 766 CG LEU A 52 -3.366 3.132 3.016 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.875 2.189 1.936 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.519 4.541 2.455 1.00 0.69 C ATOM 0 H LEU A 52 -3.559 2.543 5.762 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.231 4.482 4.552 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.590 1.597 3.885 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.458 2.690 2.825 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.627 3.150 3.817 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.930 2.556 1.535 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.728 1.196 2.360 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.613 2.137 1.136 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.567 4.873 2.041 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.275 4.540 1.670 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.825 5.219 3.252 1.00 0.69 H new ATOM 780 N GLU A 53 -6.734 1.884 5.919 1.00 0.29 N ATOM 781 CA GLU A 53 -8.012 1.418 6.449 1.00 0.32 C ATOM 782 C GLU A 53 -8.616 2.474 7.334 1.00 0.35 C ATOM 783 O GLU A 53 -9.736 2.911 7.114 1.00 0.42 O ATOM 784 CB GLU A 53 -7.860 0.148 7.283 1.00 0.32 C ATOM 785 CG GLU A 53 -7.387 -1.067 6.540 1.00 0.34 C ATOM 786 CD GLU A 53 -7.487 -2.298 7.392 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.569 -2.921 7.417 1.00 0.48 O ATOM 788 OE2 GLU A 53 -6.513 -2.649 8.079 1.00 0.46 O ATOM 0 H GLU A 53 -5.948 1.272 6.135 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.650 1.207 5.591 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.161 0.350 8.094 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.822 -0.081 7.741 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.982 -1.198 5.636 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.354 -0.924 6.224 1.00 0.34 H new ATOM 795 N SER A 54 -7.835 2.899 8.300 1.00 0.35 N ATOM 796 CA SER A 54 -8.254 3.875 9.277 1.00 0.41 C ATOM 797 C SER A 54 -8.615 5.225 8.620 1.00 0.45 C ATOM 798 O SER A 54 -9.577 5.891 9.025 1.00 0.55 O ATOM 799 CB SER A 54 -7.134 4.051 10.303 1.00 0.47 C ATOM 800 OG SER A 54 -6.750 2.783 10.845 1.00 1.19 O ATOM 0 H SER A 54 -6.878 2.572 8.430 1.00 0.35 H new ATOM 0 HA SER A 54 -9.157 3.517 9.771 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.274 4.529 9.834 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.467 4.711 11.104 1.00 0.47 H new ATOM 0 HG SER A 54 -6.125 2.341 10.233 1.00 1.19 H new ATOM 806 N ARG A 55 -7.836 5.620 7.631 1.00 0.44 N ATOM 807 CA ARG A 55 -8.045 6.869 6.923 1.00 0.54 C ATOM 808 C ARG A 55 -9.346 6.845 6.094 1.00 0.56 C ATOM 809 O ARG A 55 -10.181 7.743 6.201 1.00 0.68 O ATOM 810 CB ARG A 55 -6.853 7.173 5.997 1.00 0.63 C ATOM 811 CG ARG A 55 -6.888 8.568 5.385 1.00 0.83 C ATOM 812 CD ARG A 55 -5.846 8.749 4.282 1.00 1.08 C ATOM 813 NE ARG A 55 -4.452 8.591 4.719 1.00 1.65 N ATOM 814 CZ ARG A 55 -3.385 8.678 3.895 1.00 2.21 C ATOM 815 NH1 ARG A 55 -3.558 8.737 2.568 1.00 2.35 N ATOM 816 NH2 ARG A 55 -2.155 8.659 4.395 1.00 3.07 N ATOM 0 H ARG A 55 -7.037 5.082 7.295 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.132 7.653 7.675 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.928 7.058 6.562 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.831 6.435 5.195 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.881 8.758 4.977 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.718 9.309 6.166 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -6.047 8.028 3.490 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -5.966 9.742 3.848 1.00 1.08 H new ATOM 0 HE ARG A 55 -4.279 8.404 5.707 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -4.499 8.716 2.175 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -2.749 8.803 1.951 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.015 8.579 5.402 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -1.350 8.725 3.772 1.00 3.07 H new ATOM 830 N TYR A 56 -9.524 5.805 5.290 1.00 0.50 N ATOM 831 CA TYR A 56 -10.625 5.777 4.323 1.00 0.57 C ATOM 832 C TYR A 56 -11.868 5.024 4.793 1.00 0.61 C ATOM 833 O TYR A 56 -12.959 5.269 4.285 1.00 0.74 O ATOM 834 CB TYR A 56 -10.148 5.235 2.973 1.00 0.62 C ATOM 835 CG TYR A 56 -9.039 6.050 2.352 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.306 7.256 1.719 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.726 5.624 2.417 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.291 8.011 1.174 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.710 6.367 1.871 1.00 0.85 C ATOM 840 CZ TYR A 56 -6.994 7.561 1.252 1.00 0.91 C ATOM 841 OH TYR A 56 -5.969 8.314 0.727 1.00 1.01 O ATOM 0 H TYR A 56 -8.930 4.976 5.284 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.937 6.816 4.215 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.804 4.209 3.104 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.993 5.203 2.285 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.325 7.608 1.653 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.495 4.689 2.906 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.512 8.950 0.689 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.691 6.015 1.927 1.00 0.85 H new ATOM 0 HH TYR A 56 -6.202 9.264 0.777 1.00 1.01 H new ATOM 851 N GLY A 57 -11.722 4.124 5.728 1.00 0.58 N ATOM 852 CA GLY A 57 -12.874 3.373 6.198 1.00 0.66 C ATOM 853 C GLY A 57 -13.072 2.079 5.435 1.00 0.71 C ATOM 854 O GLY A 57 -14.166 1.514 5.410 1.00 0.93 O ATOM 0 H GLY A 57 -10.837 3.889 6.178 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.751 3.151 7.258 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.769 3.988 6.102 1.00 0.66 H new ATOM 858 N VAL A 58 -12.016 1.610 4.824 1.00 0.60 N ATOM 859 CA VAL A 58 -12.043 0.381 4.059 1.00 0.65 C ATOM 860 C VAL A 58 -11.479 -0.750 4.928 1.00 0.60 C ATOM 861 O VAL A 58 -10.542 -0.535 5.685 1.00 0.70 O ATOM 862 CB VAL A 58 -11.235 0.530 2.721 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.772 0.903 2.965 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.341 -0.723 1.861 1.00 1.16 C ATOM 0 H VAL A 58 -11.105 2.069 4.840 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.071 0.146 3.782 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.691 1.355 2.173 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.256 0.994 2.009 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.723 1.853 3.496 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.294 0.127 3.563 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -10.770 -0.584 0.943 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -10.943 -1.576 2.410 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.386 -0.907 1.613 1.00 1.16 H new ATOM 874 N SER A 59 -12.104 -1.899 4.898 1.00 0.62 N ATOM 875 CA SER A 59 -11.660 -3.024 5.679 1.00 0.67 C ATOM 876 C SER A 59 -10.824 -3.985 4.826 1.00 0.59 C ATOM 877 O SER A 59 -11.328 -4.605 3.890 1.00 0.72 O ATOM 878 CB SER A 59 -12.871 -3.706 6.290 1.00 0.92 C ATOM 879 OG SER A 59 -13.616 -2.754 7.054 1.00 1.87 O ATOM 0 H SER A 59 -12.933 -2.081 4.333 1.00 0.62 H new ATOM 0 HA SER A 59 -11.011 -2.683 6.485 1.00 0.67 H new ATOM 0 HB2 SER A 59 -13.498 -4.130 5.506 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.554 -4.532 6.927 1.00 0.92 H new ATOM 0 HG SER A 59 -14.399 -3.192 7.448 1.00 1.87 H new ATOM 885 N ILE A 60 -9.556 -4.085 5.140 1.00 0.48 N ATOM 886 CA ILE A 60 -8.641 -4.922 4.393 1.00 0.45 C ATOM 887 C ILE A 60 -8.435 -6.244 5.117 1.00 0.51 C ATOM 888 O ILE A 60 -8.122 -6.257 6.316 1.00 0.57 O ATOM 889 CB ILE A 60 -7.269 -4.220 4.205 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.451 -2.900 3.453 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.276 -5.130 3.467 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.180 -2.097 3.323 1.00 0.41 C ATOM 0 H ILE A 60 -9.126 -3.589 5.921 1.00 0.48 H new ATOM 0 HA ILE A 60 -9.078 -5.104 3.411 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.856 -4.009 5.192 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.841 -3.110 2.457 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.200 -2.298 3.968 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.325 -4.611 3.350 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -6.123 -6.043 4.042 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.675 -5.382 2.484 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.386 -1.175 2.779 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.799 -1.855 4.315 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.435 -2.680 2.781 1.00 0.41 H new ATOM 904 N PRO A 61 -8.669 -7.374 4.437 1.00 0.58 N ATOM 905 CA PRO A 61 -8.403 -8.690 5.003 1.00 0.66 C ATOM 906 C PRO A 61 -6.904 -8.845 5.292 1.00 0.56 C ATOM 907 O PRO A 61 -6.070 -8.794 4.372 1.00 0.44 O ATOM 908 CB PRO A 61 -8.843 -9.666 3.900 1.00 0.78 C ATOM 909 CG PRO A 61 -9.743 -8.868 3.020 1.00 0.87 C ATOM 910 CD PRO A 61 -9.236 -7.460 3.081 1.00 0.66 C ATOM 0 HA PRO A 61 -8.924 -8.862 5.945 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.986 -10.049 3.346 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.362 -10.528 4.319 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.725 -9.246 1.998 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.776 -8.926 3.363 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.484 -7.268 2.316 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -10.036 -6.735 2.931 1.00 0.66 H new ATOM 918 N ASP A 62 -6.577 -8.993 6.567 1.00 0.67 N ATOM 919 CA ASP A 62 -5.182 -9.100 7.056 1.00 0.67 C ATOM 920 C ASP A 62 -4.393 -10.225 6.378 1.00 0.54 C ATOM 921 O ASP A 62 -3.167 -10.169 6.301 1.00 0.52 O ATOM 922 CB ASP A 62 -5.111 -9.223 8.596 1.00 0.90 C ATOM 923 CG ASP A 62 -5.667 -10.518 9.158 1.00 1.18 C ATOM 924 OD1 ASP A 62 -6.891 -10.614 9.374 1.00 1.29 O ATOM 925 OD2 ASP A 62 -4.898 -11.474 9.354 1.00 1.83 O ATOM 0 H ASP A 62 -7.271 -9.045 7.313 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.701 -8.163 6.774 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -4.071 -9.126 8.906 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -5.655 -8.388 9.038 1.00 0.90 H new ATOM 930 N ASP A 63 -5.101 -11.219 5.873 1.00 0.56 N ATOM 931 CA ASP A 63 -4.485 -12.323 5.135 1.00 0.55 C ATOM 932 C ASP A 63 -3.948 -11.825 3.812 1.00 0.44 C ATOM 933 O ASP A 63 -2.823 -12.131 3.427 1.00 0.46 O ATOM 934 CB ASP A 63 -5.499 -13.427 4.841 1.00 0.75 C ATOM 935 CG ASP A 63 -6.004 -14.138 6.054 1.00 1.54 C ATOM 936 OD1 ASP A 63 -6.884 -13.590 6.757 1.00 2.34 O ATOM 937 OD2 ASP A 63 -5.502 -15.225 6.368 1.00 1.84 O ATOM 0 H ASP A 63 -6.115 -11.290 5.959 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.682 -12.720 5.755 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -6.346 -12.994 4.309 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.041 -14.155 4.172 1.00 0.75 H new ATOM 942 N VAL A 64 -4.735 -11.016 3.140 1.00 0.41 N ATOM 943 CA VAL A 64 -4.362 -10.516 1.832 1.00 0.40 C ATOM 944 C VAL A 64 -3.290 -9.449 1.993 1.00 0.34 C ATOM 945 O VAL A 64 -2.365 -9.354 1.189 1.00 0.41 O ATOM 946 CB VAL A 64 -5.579 -9.936 1.067 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.190 -9.555 -0.351 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.738 -10.927 1.056 1.00 0.66 C ATOM 0 H VAL A 64 -5.640 -10.688 3.477 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.977 -11.349 1.245 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.906 -9.036 1.588 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.059 -9.150 -0.870 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.401 -8.803 -0.322 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.830 -10.438 -0.879 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.580 -10.497 0.513 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.424 -11.849 0.566 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.040 -11.145 2.080 1.00 0.66 H new ATOM 958 N ALA A 65 -3.394 -8.686 3.075 1.00 0.33 N ATOM 959 CA ALA A 65 -2.427 -7.636 3.408 1.00 0.39 C ATOM 960 C ALA A 65 -0.998 -8.195 3.561 1.00 0.41 C ATOM 961 O ALA A 65 -0.021 -7.477 3.389 1.00 0.51 O ATOM 962 CB ALA A 65 -2.855 -6.908 4.675 1.00 0.46 C ATOM 0 H ALA A 65 -4.153 -8.775 3.751 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.410 -6.929 2.579 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.128 -6.131 4.911 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.834 -6.455 4.521 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.909 -7.617 5.501 1.00 0.46 H new ATOM 968 N GLY A 66 -0.892 -9.476 3.877 1.00 0.40 N ATOM 969 CA GLY A 66 0.405 -10.092 4.016 1.00 0.48 C ATOM 970 C GLY A 66 0.776 -10.945 2.810 1.00 0.48 C ATOM 971 O GLY A 66 1.857 -11.533 2.770 1.00 0.61 O ATOM 0 H GLY A 66 -1.683 -10.099 4.039 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.159 -9.317 4.155 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.416 -10.712 4.913 1.00 0.48 H new ATOM 975 N ARG A 67 -0.112 -11.009 1.826 1.00 0.43 N ATOM 976 CA ARG A 67 0.134 -11.808 0.623 1.00 0.48 C ATOM 977 C ARG A 67 0.592 -10.916 -0.531 1.00 0.36 C ATOM 978 O ARG A 67 1.113 -11.393 -1.535 1.00 0.40 O ATOM 979 CB ARG A 67 -1.127 -12.603 0.213 1.00 0.64 C ATOM 980 CG ARG A 67 -0.957 -13.412 -1.074 1.00 1.16 C ATOM 981 CD ARG A 67 -2.204 -14.158 -1.454 1.00 1.45 C ATOM 982 NE ARG A 67 -2.083 -14.774 -2.781 1.00 2.16 N ATOM 983 CZ ARG A 67 -2.871 -15.734 -3.264 1.00 3.05 C ATOM 984 NH1 ARG A 67 -3.762 -16.340 -2.482 1.00 3.43 N ATOM 985 NH2 ARG A 67 -2.751 -16.106 -4.530 1.00 3.98 N ATOM 0 H ARG A 67 -1.007 -10.521 1.833 1.00 0.43 H new ATOM 0 HA ARG A 67 0.926 -12.520 0.853 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.397 -13.280 1.023 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.958 -11.909 0.087 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -0.677 -12.741 -1.886 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.138 -14.120 -0.949 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -2.407 -14.930 -0.711 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -3.054 -13.475 -1.445 1.00 1.45 H new ATOM 0 HE ARG A 67 -1.332 -14.439 -3.384 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -3.847 -16.071 -1.502 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -4.360 -17.073 -2.863 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -2.058 -15.658 -5.130 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -3.352 -16.840 -4.905 1.00 3.98 H new ATOM 999 N VAL A 68 0.443 -9.629 -0.365 1.00 0.33 N ATOM 1000 CA VAL A 68 0.787 -8.707 -1.422 1.00 0.34 C ATOM 1001 C VAL A 68 2.304 -8.581 -1.552 1.00 0.35 C ATOM 1002 O VAL A 68 2.999 -8.212 -0.617 1.00 0.44 O ATOM 1003 CB VAL A 68 0.098 -7.323 -1.240 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.404 -7.466 -1.435 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.372 -6.730 0.134 1.00 0.41 C ATOM 0 H VAL A 68 0.088 -9.194 0.486 1.00 0.33 H new ATOM 0 HA VAL A 68 0.405 -9.115 -2.358 1.00 0.34 H new ATOM 0 HB VAL A 68 0.513 -6.648 -1.989 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -1.882 -6.495 -1.307 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.607 -7.840 -2.439 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.801 -8.166 -0.700 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.127 -5.765 0.220 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.006 -7.403 0.903 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.446 -6.597 0.265 1.00 0.41 H new ATOM 1015 N ASP A 69 2.792 -9.005 -2.693 1.00 0.36 N ATOM 1016 CA ASP A 69 4.231 -9.052 -2.992 1.00 0.40 C ATOM 1017 C ASP A 69 4.665 -7.751 -3.585 1.00 0.32 C ATOM 1018 O ASP A 69 5.681 -7.170 -3.202 1.00 0.32 O ATOM 1019 CB ASP A 69 4.523 -10.116 -4.060 1.00 0.57 C ATOM 1020 CG ASP A 69 3.794 -11.420 -3.903 1.00 1.13 C ATOM 1021 OD1 ASP A 69 2.594 -11.485 -4.271 1.00 1.91 O ATOM 1022 OD2 ASP A 69 4.408 -12.426 -3.482 1.00 1.27 O ATOM 0 H ASP A 69 2.206 -9.335 -3.460 1.00 0.36 H new ATOM 0 HA ASP A 69 4.753 -9.272 -2.061 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.277 -9.700 -5.037 1.00 0.57 H new ATOM 0 HB3 ASP A 69 5.594 -10.318 -4.060 1.00 0.57 H new ATOM 1027 N THR A 70 3.938 -7.334 -4.559 1.00 0.32 N ATOM 1028 CA THR A 70 4.221 -6.138 -5.241 1.00 0.31 C ATOM 1029 C THR A 70 3.057 -5.173 -5.069 1.00 0.27 C ATOM 1030 O THR A 70 1.923 -5.601 -4.761 1.00 0.29 O ATOM 1031 CB THR A 70 4.481 -6.439 -6.723 1.00 0.41 C ATOM 1032 OG1 THR A 70 3.408 -7.245 -7.239 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.807 -7.170 -6.895 1.00 0.47 C ATOM 0 H THR A 70 3.116 -7.829 -4.905 1.00 0.32 H new ATOM 0 HA THR A 70 5.117 -5.674 -4.828 1.00 0.31 H new ATOM 0 HB THR A 70 4.532 -5.499 -7.273 1.00 0.41 H new ATOM 0 HG1 THR A 70 3.570 -7.438 -8.186 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.975 -7.375 -7.952 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.617 -6.549 -6.513 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.779 -8.109 -6.343 1.00 0.47 H new ATOM 1041 N PRO A 71 3.303 -3.867 -5.227 1.00 0.25 N ATOM 1042 CA PRO A 71 2.292 -2.830 -5.061 1.00 0.24 C ATOM 1043 C PRO A 71 1.122 -3.011 -5.982 1.00 0.21 C ATOM 1044 O PRO A 71 0.037 -2.577 -5.671 1.00 0.25 O ATOM 1045 CB PRO A 71 3.034 -1.546 -5.380 1.00 0.29 C ATOM 1046 CG PRO A 71 4.447 -1.884 -5.138 1.00 0.32 C ATOM 1047 CD PRO A 71 4.604 -3.291 -5.548 1.00 0.30 C ATOM 0 HA PRO A 71 1.862 -2.845 -4.059 1.00 0.24 H new ATOM 0 HB2 PRO A 71 2.869 -1.235 -6.411 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.705 -0.725 -4.743 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.107 -1.234 -5.712 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.705 -1.753 -4.087 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.835 -3.380 -6.610 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.410 -3.784 -5.004 1.00 0.30 H new ATOM 1055 N ARG A 72 1.359 -3.644 -7.120 1.00 0.22 N ATOM 1056 CA ARG A 72 0.311 -3.964 -8.076 1.00 0.26 C ATOM 1057 C ARG A 72 -0.828 -4.719 -7.374 1.00 0.25 C ATOM 1058 O ARG A 72 -2.005 -4.351 -7.484 1.00 0.29 O ATOM 1059 CB ARG A 72 0.888 -4.820 -9.189 1.00 0.40 C ATOM 1060 CG ARG A 72 -0.092 -5.132 -10.294 1.00 0.92 C ATOM 1061 CD ARG A 72 0.510 -6.076 -11.297 1.00 0.95 C ATOM 1062 NE ARG A 72 1.733 -5.535 -11.902 1.00 0.67 N ATOM 1063 CZ ARG A 72 2.889 -6.184 -12.018 1.00 0.93 C ATOM 1064 NH1 ARG A 72 3.047 -7.368 -11.456 1.00 1.48 N ATOM 1065 NH2 ARG A 72 3.888 -5.620 -12.675 1.00 1.29 N ATOM 0 H ARG A 72 2.288 -3.952 -7.408 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.086 -3.041 -8.497 1.00 0.26 H new ATOM 0 HB2 ARG A 72 1.751 -4.309 -9.616 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.250 -5.756 -8.763 1.00 0.40 H new ATOM 0 HG2 ARG A 72 -0.995 -5.573 -9.871 1.00 0.92 H new ATOM 0 HG3 ARG A 72 -0.391 -4.209 -10.791 1.00 0.92 H new ATOM 0 HD2 ARG A 72 0.736 -7.025 -10.810 1.00 0.95 H new ATOM 0 HD3 ARG A 72 -0.219 -6.285 -12.080 1.00 0.95 H new ATOM 0 HE ARG A 72 1.694 -4.582 -12.264 1.00 0.67 H new ATOM 0 HH11 ARG A 72 2.281 -7.789 -10.930 1.00 1.48 H new ATOM 0 HH12 ARG A 72 3.935 -7.862 -11.548 1.00 1.48 H new ATOM 0 HH21 ARG A 72 3.769 -4.695 -13.088 1.00 1.29 H new ATOM 0 HH22 ARG A 72 4.778 -6.110 -12.769 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.433 -5.735 -6.614 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.338 -6.608 -5.874 1.00 0.28 C ATOM 1081 C GLU A 73 -2.090 -5.797 -4.811 1.00 0.26 C ATOM 1082 O GLU A 73 -3.322 -5.874 -4.693 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.503 -7.688 -5.161 1.00 0.34 C ATOM 1084 CG GLU A 73 0.480 -8.437 -6.052 1.00 0.44 C ATOM 1085 CD GLU A 73 -0.180 -9.321 -7.074 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -0.550 -8.845 -8.162 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -0.306 -10.527 -6.816 1.00 1.24 O ATOM 0 H GLU A 73 0.550 -5.980 -6.492 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.052 -7.060 -6.563 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.052 -7.219 -4.348 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.182 -8.410 -4.708 1.00 0.34 H new ATOM 0 HG2 GLU A 73 1.114 -7.714 -6.566 1.00 0.44 H new ATOM 0 HG3 GLU A 73 1.133 -9.046 -5.426 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.324 -5.000 -4.070 1.00 0.26 N ATOM 1095 CA LEU A 74 -1.825 -4.216 -2.939 1.00 0.28 C ATOM 1096 C LEU A 74 -2.778 -3.127 -3.434 1.00 0.26 C ATOM 1097 O LEU A 74 -3.901 -2.993 -2.919 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.608 -3.612 -2.172 1.00 0.31 C ATOM 1099 CG LEU A 74 -0.826 -3.030 -0.745 1.00 0.31 C ATOM 1100 CD1 LEU A 74 0.502 -2.659 -0.138 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -1.710 -1.808 -0.746 1.00 0.90 C ATOM 0 H LEU A 74 -0.325 -4.878 -4.238 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.388 -4.853 -2.257 1.00 0.28 H new ATOM 0 HB2 LEU A 74 0.152 -4.390 -2.097 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.191 -2.817 -2.791 1.00 0.31 H new ATOM 0 HG LEU A 74 -1.321 -3.806 -0.160 1.00 0.31 H new ATOM 0 HD11 LEU A 74 0.345 -2.252 0.861 1.00 0.81 H new ATOM 0 HD12 LEU A 74 1.133 -3.546 -0.073 1.00 0.81 H new ATOM 0 HD13 LEU A 74 0.991 -1.911 -0.762 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -1.828 -1.444 0.274 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -1.254 -1.030 -1.359 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.687 -2.066 -1.155 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.330 -2.369 -4.429 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.101 -1.285 -5.001 1.00 0.23 C ATOM 1115 C LEU A 75 -4.433 -1.785 -5.476 1.00 0.24 C ATOM 1116 O LEU A 75 -5.446 -1.276 -5.064 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.342 -0.604 -6.154 1.00 0.23 C ATOM 1118 CG LEU A 75 -3.057 0.563 -6.853 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -3.359 1.686 -5.871 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.220 1.078 -8.011 1.00 0.34 C ATOM 0 H LEU A 75 -1.414 -2.495 -4.860 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.261 -0.541 -4.221 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.391 -0.238 -5.767 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.111 -1.361 -6.904 1.00 0.23 H new ATOM 0 HG LEU A 75 -4.005 0.195 -7.244 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.865 2.499 -6.392 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -4.001 1.310 -5.075 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -2.427 2.055 -5.442 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.740 1.904 -8.496 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.256 1.424 -7.638 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.063 0.275 -8.731 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.414 -2.835 -6.282 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.637 -3.413 -6.854 1.00 0.25 C ATOM 1134 C ASP A 76 -6.592 -3.919 -5.773 1.00 0.27 C ATOM 1135 O ASP A 76 -7.821 -3.759 -5.888 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.292 -4.534 -7.834 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.514 -5.221 -8.399 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.208 -4.613 -9.233 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.819 -6.363 -7.989 1.00 0.57 O ATOM 0 H ASP A 76 -3.558 -3.314 -6.562 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.151 -2.618 -7.394 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.701 -4.124 -8.653 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.668 -5.272 -7.329 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.030 -4.488 -4.708 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.820 -5.003 -3.597 1.00 0.36 C ATOM 1146 C LEU A 77 -7.601 -3.870 -2.946 1.00 0.34 C ATOM 1147 O LEU A 77 -8.828 -3.960 -2.795 1.00 0.38 O ATOM 1148 CB LEU A 77 -5.911 -5.748 -2.571 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.582 -6.484 -1.365 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.052 -5.532 -0.268 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -7.741 -7.352 -1.841 1.00 1.96 C ATOM 0 H LEU A 77 -5.023 -4.603 -4.593 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.538 -5.731 -3.976 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.325 -6.484 -3.122 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.208 -5.021 -2.164 1.00 0.47 H new ATOM 0 HG LEU A 77 -5.811 -7.117 -0.925 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.508 -6.104 0.540 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.200 -4.974 0.119 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -7.784 -4.837 -0.679 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.194 -7.855 -0.987 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.487 -6.726 -2.331 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.372 -8.096 -2.547 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.909 -2.805 -2.586 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.573 -1.684 -1.949 1.00 0.34 C ATOM 1165 C ILE A 78 -8.434 -0.969 -2.943 1.00 0.31 C ATOM 1166 O ILE A 78 -9.551 -0.670 -2.650 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.593 -0.666 -1.318 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.712 -1.372 -0.284 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.382 0.499 -0.657 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.704 -0.471 0.385 1.00 0.55 C ATOM 0 H ILE A 78 -5.904 -2.693 -2.721 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.172 -2.105 -1.141 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.956 -0.250 -2.099 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.351 -1.815 0.480 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.184 -2.191 -0.772 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.682 1.209 -0.216 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.985 1.005 -1.412 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -8.034 0.102 0.121 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.120 -1.048 1.103 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -4.038 -0.048 -0.367 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -5.224 0.334 0.904 1.00 0.55 H new ATOM 1182 N ASN A 79 -7.900 -0.746 -4.127 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.560 0.024 -5.186 1.00 0.31 C ATOM 1184 C ASN A 79 -9.991 -0.466 -5.400 1.00 0.32 C ATOM 1185 O ASN A 79 -10.932 0.308 -5.277 1.00 0.38 O ATOM 1186 CB ASN A 79 -7.775 -0.087 -6.498 1.00 0.34 C ATOM 1187 CG ASN A 79 -8.049 1.041 -7.457 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -8.994 1.005 -8.225 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -7.185 2.041 -7.445 1.00 0.52 N ATOM 0 H ASN A 79 -6.980 -1.097 -4.394 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.589 1.068 -4.875 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -6.709 -0.112 -6.274 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.021 -1.033 -6.981 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -7.297 2.819 -8.095 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.406 2.034 -6.786 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.141 -1.765 -5.626 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.461 -2.343 -5.825 1.00 0.42 C ATOM 1198 C GLY A 80 -12.337 -2.252 -4.580 1.00 0.45 C ATOM 1199 O GLY A 80 -13.495 -1.853 -4.658 1.00 0.53 O ATOM 0 H GLY A 80 -9.371 -2.432 -5.676 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.956 -1.832 -6.651 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.355 -3.389 -6.114 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.765 -2.555 -3.427 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.517 -2.567 -2.167 1.00 0.52 C ATOM 1205 C ALA A 81 -12.917 -1.152 -1.735 1.00 0.51 C ATOM 1206 O ALA A 81 -13.982 -0.941 -1.157 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.701 -3.245 -1.070 1.00 0.59 C ATOM 0 H ALA A 81 -10.779 -2.798 -3.329 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.433 -3.134 -2.332 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.271 -3.247 -0.141 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.480 -4.272 -1.362 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.768 -2.701 -0.922 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.064 -0.207 -2.033 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.250 1.182 -1.687 1.00 0.56 C ATOM 1215 C LEU A 82 -13.233 1.841 -2.665 1.00 0.59 C ATOM 1216 O LEU A 82 -13.981 2.754 -2.295 1.00 0.75 O ATOM 1217 CB LEU A 82 -10.871 1.884 -1.673 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.817 3.333 -1.207 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -11.479 3.494 0.151 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -9.372 3.812 -1.145 1.00 1.10 C ATOM 0 H LEU A 82 -11.196 -0.385 -2.537 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.685 1.273 -0.692 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.205 1.302 -1.036 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -10.463 1.841 -2.683 1.00 0.63 H new ATOM 0 HG LEU A 82 -11.364 3.941 -1.927 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -11.426 4.538 0.460 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -12.523 3.187 0.086 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -10.963 2.873 0.883 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.347 4.849 -0.811 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -8.813 3.191 -0.445 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -8.922 3.739 -2.135 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.230 1.377 -3.908 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.201 1.824 -4.902 1.00 0.67 C ATOM 1234 C ALA A 83 -15.605 1.406 -4.476 1.00 0.72 C ATOM 1235 O ALA A 83 -16.560 2.189 -4.537 1.00 0.85 O ATOM 1236 CB ALA A 83 -13.873 1.244 -6.270 1.00 0.76 C ATOM 0 H ALA A 83 -12.563 0.688 -4.254 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.156 2.911 -4.971 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -14.608 1.589 -6.997 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -12.879 1.572 -6.575 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -13.896 0.155 -6.219 1.00 0.76 H new ATOM 1242 N GLU A 84 -15.705 0.189 -3.983 1.00 0.77 N ATOM 1243 CA GLU A 84 -16.967 -0.376 -3.560 1.00 0.95 C ATOM 1244 C GLU A 84 -17.301 0.004 -2.112 1.00 1.08 C ATOM 1245 O GLU A 84 -18.267 -0.495 -1.536 1.00 1.35 O ATOM 1246 CB GLU A 84 -16.931 -1.893 -3.719 1.00 1.11 C ATOM 1247 CG GLU A 84 -16.652 -2.353 -5.144 1.00 1.33 C ATOM 1248 CD GLU A 84 -17.702 -1.901 -6.125 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -18.686 -2.628 -6.321 1.00 2.24 O ATOM 1250 OE2 GLU A 84 -17.567 -0.823 -6.721 1.00 2.44 O ATOM 0 H GLU A 84 -14.909 -0.438 -3.864 1.00 0.77 H new ATOM 0 HA GLU A 84 -17.753 0.036 -4.194 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -16.166 -2.301 -3.059 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -17.886 -2.306 -3.394 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -15.680 -1.972 -5.459 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.589 -3.441 -5.163 1.00 1.33 H new ATOM 1257 N ALA A 85 -16.521 0.889 -1.542 1.00 1.14 N ATOM 1258 CA ALA A 85 -16.752 1.346 -0.195 1.00 1.38 C ATOM 1259 C ALA A 85 -17.726 2.506 -0.212 1.00 1.73 C ATOM 1260 O ALA A 85 -17.452 3.562 -0.807 1.00 2.12 O ATOM 1261 CB ALA A 85 -15.448 1.749 0.480 1.00 1.46 C ATOM 0 H ALA A 85 -15.711 1.311 -1.997 1.00 1.14 H new ATOM 0 HA ALA A 85 -17.181 0.527 0.382 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -15.654 2.089 1.495 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -14.776 0.892 0.514 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -14.980 2.555 -0.085 1.00 1.46 H new ATOM 1267 N ALA A 86 -18.853 2.297 0.391 1.00 2.21 N ATOM 1268 CA ALA A 86 -19.880 3.285 0.489 1.00 2.74 C ATOM 1269 C ALA A 86 -19.880 3.794 1.903 1.00 3.28 C ATOM 1270 O ALA A 86 -19.683 5.003 2.124 1.00 3.60 O ATOM 1271 CB ALA A 86 -21.236 2.690 0.124 1.00 3.25 C ATOM 1272 OXT ALA A 86 -19.968 2.965 2.826 1.00 3.84 O ATOM 0 H ALA A 86 -19.090 1.412 0.840 1.00 2.21 H new ATOM 0 HA ALA A 86 -19.693 4.102 -0.207 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -22.004 3.459 0.205 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -21.205 2.314 -0.899 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -21.469 1.871 0.804 1.00 3.25 H new TER 1278 ALA A 86