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 Single : A 1 MET CE :methyl -163:sc= -0.0839 (180deg=-0.458) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.366 (180deg=0.199) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 7 THR OG1 : rot -152:sc= 0.99 USER MOD Single : A 17 SER OG : rot 79:sc= -1.28! USER MOD Single : A 21 THR OG1 : rot -72:sc= 1.24 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 -176:sc= -0.752 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -169:sc= -1.5 (180deg=-1.72) USER MOD Single : A 48 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.737 K(o=-0.74,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.909 8.928 -1.556 1.00 5.55 N ATOM 2 CA MET A 1 -16.406 9.168 -0.197 1.00 4.81 C ATOM 3 C MET A 1 -14.975 8.666 -0.067 1.00 4.08 C ATOM 4 O MET A 1 -14.097 9.385 0.426 1.00 4.33 O ATOM 5 CB MET A 1 -17.296 8.484 0.855 1.00 5.00 C ATOM 6 CG MET A 1 -18.737 8.964 0.866 1.00 5.78 C ATOM 7 SD MET A 1 -18.897 10.719 1.250 1.00 6.34 S ATOM 8 CE MET A 1 -18.240 10.777 2.923 1.00 6.63 C ATOM 0 H1 MET A 1 -17.807 9.436 -1.689 1.00 5.55 H new ATOM 0 H2 MET A 1 -16.213 9.269 -2.249 1.00 5.55 H new ATOM 0 H3 MET A 1 -17.064 7.909 -1.694 1.00 5.55 H new ATOM 0 HA MET A 1 -16.428 10.243 -0.018 1.00 4.81 H new ATOM 0 HB2 MET A 1 -17.285 7.409 0.678 1.00 5.00 H new ATOM 0 HB3 MET A 1 -16.863 8.649 1.842 1.00 5.00 H new ATOM 0 HG2 MET A 1 -19.186 8.769 -0.108 1.00 5.78 H new ATOM 0 HG3 MET A 1 -19.301 8.385 1.598 1.00 5.78 H new ATOM 0 HE1 MET A 1 -18.543 11.708 3.401 1.00 6.63 H new ATOM 0 HE2 MET A 1 -18.626 9.933 3.495 1.00 6.63 H new ATOM 0 HE3 MET A 1 -17.152 10.725 2.889 1.00 6.63 H new ATOM 20 N ALA A 2 -14.730 7.441 -0.507 1.00 3.63 N ATOM 21 CA ALA A 2 -13.398 6.869 -0.452 1.00 3.34 C ATOM 22 C ALA A 2 -12.535 7.402 -1.583 1.00 2.29 C ATOM 23 O ALA A 2 -12.922 7.355 -2.757 1.00 2.60 O ATOM 24 CB ALA A 2 -13.462 5.352 -0.508 1.00 4.09 C ATOM 0 H ALA A 2 -15.439 6.825 -0.906 1.00 3.63 H new ATOM 0 HA ALA A 2 -12.945 7.162 0.495 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -12.452 4.943 -0.465 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -14.040 4.981 0.338 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -13.940 5.042 -1.437 1.00 4.09 H new ATOM 30 N THR A 3 -11.405 7.928 -1.231 1.00 1.66 N ATOM 31 CA THR A 3 -10.462 8.449 -2.181 1.00 1.24 C ATOM 32 C THR A 3 -9.585 7.326 -2.665 1.00 1.06 C ATOM 33 O THR A 3 -8.875 6.677 -1.891 1.00 1.81 O ATOM 34 CB THR A 3 -9.631 9.523 -1.517 1.00 2.06 C ATOM 35 OG1 THR A 3 -10.497 10.399 -0.751 1.00 2.62 O ATOM 36 CG2 THR A 3 -8.884 10.338 -2.548 1.00 2.77 C ATOM 0 H THR A 3 -11.103 8.011 -0.260 1.00 1.66 H new ATOM 0 HA THR A 3 -10.983 8.885 -3.033 1.00 1.24 H new ATOM 0 HB THR A 3 -8.907 9.043 -0.859 1.00 2.06 H new ATOM 0 HG1 THR A 3 -9.959 11.095 -0.319 1.00 2.62 H new ATOM 0 HG21 THR A 3 -8.293 11.105 -2.047 1.00 2.77 H new ATOM 0 HG22 THR A 3 -8.223 9.685 -3.119 1.00 2.77 H new ATOM 0 HG23 THR A 3 -9.597 10.812 -3.223 1.00 2.77 H new ATOM 44 N LEU A 4 -9.684 7.066 -3.932 1.00 0.89 N ATOM 45 CA LEU A 4 -8.991 6.000 -4.529 1.00 0.69 C ATOM 46 C LEU A 4 -7.495 6.330 -4.612 1.00 0.63 C ATOM 47 O LEU A 4 -7.097 7.506 -4.723 1.00 0.87 O ATOM 48 CB LEU A 4 -9.548 5.738 -5.905 1.00 0.83 C ATOM 49 CG LEU A 4 -9.228 4.379 -6.453 1.00 1.14 C ATOM 50 CD1 LEU A 4 -10.014 3.307 -5.714 1.00 1.27 C ATOM 51 CD2 LEU A 4 -9.444 4.305 -7.950 1.00 1.51 C ATOM 0 H LEU A 4 -10.261 7.605 -4.578 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.117 5.104 -3.922 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.631 5.859 -5.875 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -9.162 6.493 -6.590 1.00 0.83 H new ATOM 0 HG LEU A 4 -8.167 4.194 -6.286 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.769 2.328 -6.125 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.756 3.331 -4.655 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -11.082 3.493 -5.831 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -9.200 3.303 -8.304 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -10.486 4.527 -8.179 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.801 5.032 -8.447 1.00 1.51 H new ATOM 63 N LEU A 5 -6.700 5.305 -4.580 1.00 0.49 N ATOM 64 CA LEU A 5 -5.271 5.415 -4.540 1.00 0.44 C ATOM 65 C LEU A 5 -4.655 5.349 -5.925 1.00 0.39 C ATOM 66 O LEU A 5 -5.002 4.468 -6.722 1.00 0.42 O ATOM 67 CB LEU A 5 -4.721 4.244 -3.730 1.00 0.47 C ATOM 68 CG LEU A 5 -5.141 4.148 -2.270 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.671 2.832 -1.680 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.556 5.296 -1.484 1.00 0.79 C ATOM 0 H LEU A 5 -7.035 4.342 -4.581 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.021 6.378 -4.095 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.017 3.321 -4.228 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.633 4.291 -3.766 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.228 4.197 -2.215 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -4.976 2.772 -0.635 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.114 2.005 -2.235 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.585 2.772 -1.745 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -4.863 5.217 -0.441 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.468 5.262 -1.545 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.914 6.239 -1.897 1.00 0.79 H new ATOM 82 N THR A 6 -3.796 6.294 -6.225 1.00 0.38 N ATOM 83 CA THR A 6 -2.937 6.195 -7.380 1.00 0.40 C ATOM 84 C THR A 6 -1.578 5.709 -6.870 1.00 0.34 C ATOM 85 O THR A 6 -1.465 5.393 -5.667 1.00 0.30 O ATOM 86 CB THR A 6 -2.763 7.560 -8.105 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.274 8.551 -7.180 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.069 8.039 -8.717 1.00 0.63 C ATOM 0 H THR A 6 -3.673 7.147 -5.680 1.00 0.38 H new ATOM 0 HA THR A 6 -3.377 5.511 -8.106 1.00 0.40 H new ATOM 0 HB THR A 6 -2.042 7.417 -8.910 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.982 8.781 -6.543 1.00 0.56 H new ATOM 0 HG21 THR A 6 -3.908 8.995 -9.215 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.421 7.306 -9.443 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.816 8.159 -7.932 1.00 0.63 H new ATOM 96 N THR A 7 -0.563 5.652 -7.723 1.00 0.37 N ATOM 97 CA THR A 7 0.776 5.311 -7.281 1.00 0.37 C ATOM 98 C THR A 7 1.227 6.286 -6.177 1.00 0.35 C ATOM 99 O THR A 7 1.718 5.867 -5.148 1.00 0.34 O ATOM 100 CB THR A 7 1.791 5.331 -8.453 1.00 0.48 C ATOM 101 OG1 THR A 7 1.325 4.475 -9.515 1.00 0.61 O ATOM 102 CG2 THR A 7 3.153 4.839 -7.980 1.00 0.56 C ATOM 0 H THR A 7 -0.645 5.838 -8.723 1.00 0.37 H new ATOM 0 HA THR A 7 0.748 4.296 -6.885 1.00 0.37 H new ATOM 0 HB THR A 7 1.883 6.355 -8.816 1.00 0.48 H new ATOM 0 HG1 THR A 7 2.092 4.136 -10.023 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.856 4.858 -8.813 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.517 5.487 -7.183 1.00 0.56 H new ATOM 0 HG23 THR A 7 3.062 3.819 -7.606 1.00 0.56 H new ATOM 110 N ASP A 8 1.020 7.590 -6.403 1.00 0.43 N ATOM 111 CA ASP A 8 1.420 8.624 -5.431 1.00 0.50 C ATOM 112 C ASP A 8 0.638 8.532 -4.120 1.00 0.44 C ATOM 113 O ASP A 8 1.215 8.692 -3.040 1.00 0.46 O ATOM 114 CB ASP A 8 1.293 10.034 -6.009 1.00 0.67 C ATOM 115 CG ASP A 8 1.703 11.104 -5.007 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.914 11.346 -4.828 1.00 1.26 O ATOM 117 OD2 ASP A 8 0.814 11.720 -4.368 1.00 1.65 O ATOM 0 H ASP A 8 0.579 7.956 -7.247 1.00 0.43 H new ATOM 0 HA ASP A 8 2.470 8.429 -5.213 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.914 10.117 -6.901 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.263 10.206 -6.321 1.00 0.67 H new ATOM 122 N ASP A 9 -0.664 8.249 -4.206 1.00 0.42 N ATOM 123 CA ASP A 9 -1.495 8.131 -2.984 1.00 0.42 C ATOM 124 C ASP A 9 -1.022 6.953 -2.182 1.00 0.40 C ATOM 125 O ASP A 9 -0.950 7.007 -0.950 1.00 0.45 O ATOM 126 CB ASP A 9 -2.993 7.922 -3.276 1.00 0.46 C ATOM 127 CG ASP A 9 -3.678 9.051 -3.982 1.00 0.84 C ATOM 128 OD1 ASP A 9 -4.088 10.033 -3.330 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.866 8.957 -5.202 1.00 1.41 O ATOM 0 H ASP A 9 -1.165 8.099 -5.082 1.00 0.42 H new ATOM 0 HA ASP A 9 -1.386 9.073 -2.446 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -3.105 7.020 -3.877 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.507 7.742 -2.332 1.00 0.46 H new ATOM 134 N LEU A 10 -0.694 5.889 -2.895 1.00 0.37 N ATOM 135 CA LEU A 10 -0.189 4.682 -2.296 1.00 0.36 C ATOM 136 C LEU A 10 1.177 4.986 -1.683 1.00 0.36 C ATOM 137 O LEU A 10 1.393 4.761 -0.503 1.00 0.41 O ATOM 138 CB LEU A 10 -0.058 3.595 -3.371 1.00 0.35 C ATOM 139 CG LEU A 10 0.136 2.171 -2.874 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.118 1.705 -2.153 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.473 1.241 -4.032 1.00 0.37 C ATOM 0 H LEU A 10 -0.774 5.846 -3.911 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.869 4.326 -1.522 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.953 3.621 -3.993 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.785 3.850 -4.014 1.00 0.35 H new ATOM 0 HG LEU A 10 0.971 2.149 -2.174 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.976 0.684 -1.798 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.314 2.360 -1.304 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -1.965 1.736 -2.839 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.608 0.227 -3.657 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.340 1.254 -4.758 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.393 1.576 -4.512 1.00 0.37 H new ATOM 153 N ARG A 11 2.050 5.573 -2.500 1.00 0.36 N ATOM 154 CA ARG A 11 3.417 5.982 -2.132 1.00 0.38 C ATOM 155 C ARG A 11 3.437 6.731 -0.814 1.00 0.39 C ATOM 156 O ARG A 11 4.244 6.431 0.057 1.00 0.41 O ATOM 157 CB ARG A 11 3.964 6.906 -3.229 1.00 0.42 C ATOM 158 CG ARG A 11 5.322 7.530 -2.952 1.00 0.52 C ATOM 159 CD ARG A 11 5.662 8.558 -4.022 1.00 0.71 C ATOM 160 NE ARG A 11 5.682 7.969 -5.371 1.00 1.21 N ATOM 161 CZ ARG A 11 5.176 8.550 -6.481 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.651 9.765 -6.433 1.00 1.92 N ATOM 163 NH2 ARG A 11 5.213 7.910 -7.629 1.00 2.46 N ATOM 0 H ARG A 11 1.823 5.787 -3.471 1.00 0.36 H new ATOM 0 HA ARG A 11 4.028 5.086 -2.028 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.029 6.338 -4.157 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.244 7.707 -3.395 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.318 8.005 -1.971 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.087 6.754 -2.928 1.00 0.52 H new ATOM 0 HD2 ARG A 11 4.932 9.367 -3.991 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.635 8.998 -3.805 1.00 0.71 H new ATOM 0 HE ARG A 11 6.112 7.050 -5.476 1.00 1.21 H new ATOM 0 HH11 ARG A 11 4.625 10.275 -5.550 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.273 10.191 -7.279 1.00 1.92 H new ATOM 0 HH21 ARG A 11 5.623 6.977 -7.680 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.832 8.346 -8.469 1.00 2.46 H new ATOM 177 N ARG A 12 2.532 7.689 -0.683 1.00 0.42 N ATOM 178 CA ARG A 12 2.426 8.528 0.497 1.00 0.47 C ATOM 179 C ARG A 12 2.241 7.671 1.738 1.00 0.43 C ATOM 180 O ARG A 12 2.987 7.803 2.701 1.00 0.48 O ATOM 181 CB ARG A 12 1.255 9.484 0.335 1.00 0.60 C ATOM 182 CG ARG A 12 1.240 10.658 1.308 1.00 1.18 C ATOM 183 CD ARG A 12 0.053 11.557 1.018 1.00 1.47 C ATOM 184 NE ARG A 12 0.000 11.897 -0.414 1.00 2.25 N ATOM 185 CZ ARG A 12 -1.104 12.170 -1.116 1.00 2.83 C ATOM 186 NH1 ARG A 12 -2.259 12.395 -0.497 1.00 2.60 N ATOM 187 NH2 ARG A 12 -1.037 12.252 -2.444 1.00 3.93 N ATOM 0 H ARG A 12 1.843 7.907 -1.403 1.00 0.42 H new ATOM 0 HA ARG A 12 3.345 9.104 0.612 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.263 9.875 -0.682 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.328 8.922 0.453 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.187 10.291 2.333 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.166 11.225 1.220 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.870 11.057 1.313 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.126 12.468 1.612 1.00 1.47 H new ATOM 0 HE ARG A 12 0.887 11.927 -0.916 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -2.307 12.360 0.521 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -3.097 12.603 -1.040 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -0.146 12.107 -2.920 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -1.876 12.460 -2.985 1.00 3.93 H new ATOM 201 N ALA A 13 1.302 6.734 1.660 1.00 0.40 N ATOM 202 CA ALA A 13 0.990 5.848 2.769 1.00 0.42 C ATOM 203 C ALA A 13 2.177 4.953 3.107 1.00 0.41 C ATOM 204 O ALA A 13 2.448 4.693 4.287 1.00 0.50 O ATOM 205 CB ALA A 13 -0.234 5.013 2.453 1.00 0.45 C ATOM 0 H ALA A 13 0.738 6.570 0.826 1.00 0.40 H new ATOM 0 HA ALA A 13 0.774 6.464 3.642 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.453 4.355 3.294 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -1.086 5.669 2.274 1.00 0.45 H new ATOM 0 HB3 ALA A 13 -0.045 4.413 1.563 1.00 0.45 H new ATOM 211 N LEU A 14 2.892 4.501 2.078 1.00 0.38 N ATOM 212 CA LEU A 14 4.095 3.703 2.271 1.00 0.46 C ATOM 213 C LEU A 14 5.156 4.523 3.010 1.00 0.54 C ATOM 214 O LEU A 14 5.747 4.045 3.977 1.00 0.69 O ATOM 215 CB LEU A 14 4.653 3.180 0.921 1.00 0.48 C ATOM 216 CG LEU A 14 4.024 1.903 0.290 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.261 0.685 1.147 1.00 1.21 C ATOM 218 CD2 LEU A 14 2.548 2.046 0.012 1.00 1.44 C ATOM 0 H LEU A 14 2.656 4.676 1.101 1.00 0.38 H new ATOM 0 HA LEU A 14 3.831 2.835 2.876 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.563 3.986 0.193 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.718 2.990 1.056 1.00 0.48 H new ATOM 0 HG LEU A 14 4.530 1.773 -0.667 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.808 -0.186 0.674 1.00 1.21 H new ATOM 0 HD12 LEU A 14 5.333 0.521 1.258 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.814 0.839 2.129 1.00 1.21 H new ATOM 0 HD21 LEU A 14 2.169 1.123 -0.427 1.00 1.44 H new ATOM 0 HD22 LEU A 14 2.020 2.248 0.944 1.00 1.44 H new ATOM 0 HD23 LEU A 14 2.387 2.871 -0.682 1.00 1.44 H new ATOM 230 N VAL A 15 5.340 5.775 2.583 1.00 0.53 N ATOM 231 CA VAL A 15 6.287 6.702 3.216 1.00 0.63 C ATOM 232 C VAL A 15 5.903 6.912 4.679 1.00 0.66 C ATOM 233 O VAL A 15 6.714 6.713 5.571 1.00 0.80 O ATOM 234 CB VAL A 15 6.312 8.084 2.479 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.204 9.087 3.212 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.803 7.919 1.047 1.00 0.71 C ATOM 0 H VAL A 15 4.839 6.176 1.790 1.00 0.53 H new ATOM 0 HA VAL A 15 7.282 6.263 3.152 1.00 0.63 H new ATOM 0 HB VAL A 15 5.292 8.468 2.468 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.201 10.036 2.676 1.00 0.76 H new ATOM 0 HG12 VAL A 15 6.826 9.240 4.223 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.222 8.701 3.260 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.813 8.890 0.552 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.811 7.504 1.053 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.137 7.244 0.509 1.00 0.71 H new ATOM 246 N GLU A 16 4.648 7.268 4.908 1.00 0.62 N ATOM 247 CA GLU A 16 4.134 7.542 6.248 1.00 0.71 C ATOM 248 C GLU A 16 4.317 6.339 7.182 1.00 0.74 C ATOM 249 O GLU A 16 4.741 6.494 8.332 1.00 0.89 O ATOM 250 CB GLU A 16 2.651 7.916 6.168 1.00 0.79 C ATOM 251 CG GLU A 16 2.374 9.190 5.383 1.00 0.87 C ATOM 252 CD GLU A 16 0.897 9.450 5.197 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.211 9.811 6.188 1.00 1.38 O ATOM 254 OE2 GLU A 16 0.396 9.311 4.070 1.00 2.05 O ATOM 0 H GLU A 16 3.953 7.376 4.170 1.00 0.62 H new ATOM 0 HA GLU A 16 4.703 8.375 6.661 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.104 7.093 5.709 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.262 8.033 7.179 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.826 10.036 5.901 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.853 9.121 4.406 1.00 0.87 H new ATOM 261 N SER A 17 4.058 5.153 6.676 1.00 0.68 N ATOM 262 CA SER A 17 4.146 3.956 7.485 1.00 0.77 C ATOM 263 C SER A 17 5.598 3.513 7.701 1.00 0.89 C ATOM 264 O SER A 17 5.941 2.991 8.772 1.00 1.15 O ATOM 265 CB SER A 17 3.325 2.849 6.858 1.00 0.73 C ATOM 266 OG SER A 17 2.014 3.322 6.580 1.00 1.39 O ATOM 0 H SER A 17 3.784 4.991 5.707 1.00 0.68 H new ATOM 0 HA SER A 17 3.739 4.184 8.470 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.801 2.507 5.939 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.278 1.993 7.531 1.00 0.73 H new ATOM 0 HG SER A 17 2.025 3.850 5.755 1.00 1.39 H new ATOM 272 N ALA A 18 6.451 3.753 6.710 1.00 0.82 N ATOM 273 CA ALA A 18 7.867 3.401 6.810 1.00 1.03 C ATOM 274 C ALA A 18 8.611 4.424 7.647 1.00 1.22 C ATOM 275 O ALA A 18 9.717 4.170 8.141 1.00 1.58 O ATOM 276 CB ALA A 18 8.494 3.308 5.433 1.00 1.03 C ATOM 0 H ALA A 18 6.188 4.190 5.827 1.00 0.82 H new ATOM 0 HA ALA A 18 7.940 2.427 7.295 1.00 1.03 H new ATOM 0 HB1 ALA A 18 9.547 3.045 5.530 1.00 1.03 H new ATOM 0 HB2 ALA A 18 7.981 2.543 4.851 1.00 1.03 H new ATOM 0 HB3 ALA A 18 8.405 4.269 4.927 1.00 1.03 H new ATOM 282 N GLY A 19 8.025 5.574 7.780 1.00 1.23 N ATOM 283 CA GLY A 19 8.592 6.619 8.571 1.00 1.56 C ATOM 284 C GLY A 19 8.649 7.885 7.781 1.00 1.74 C ATOM 285 O GLY A 19 9.310 7.934 6.750 1.00 2.32 O ATOM 0 H GLY A 19 7.136 5.814 7.341 1.00 1.23 H new ATOM 0 HA2 GLY A 19 7.996 6.769 9.471 1.00 1.56 H new ATOM 0 HA3 GLY A 19 9.594 6.338 8.895 1.00 1.56 H new ATOM 289 N GLU A 20 7.976 8.913 8.265 1.00 2.01 N ATOM 290 CA GLU A 20 7.883 10.207 7.567 1.00 2.53 C ATOM 291 C GLU A 20 9.221 10.933 7.344 1.00 2.51 C ATOM 292 O GLU A 20 9.272 11.962 6.669 1.00 3.17 O ATOM 293 CB GLU A 20 6.798 11.126 8.168 1.00 3.47 C ATOM 294 CG GLU A 20 6.699 11.146 9.702 1.00 4.03 C ATOM 295 CD GLU A 20 7.985 11.487 10.411 1.00 4.59 C ATOM 296 OE1 GLU A 20 8.321 12.685 10.509 1.00 5.17 O ATOM 297 OE2 GLU A 20 8.708 10.575 10.841 1.00 4.85 O ATOM 0 H GLU A 20 7.474 8.886 9.153 1.00 2.01 H new ATOM 0 HA GLU A 20 7.561 9.942 6.560 1.00 2.53 H new ATOM 0 HB2 GLU A 20 6.982 12.144 7.823 1.00 3.47 H new ATOM 0 HB3 GLU A 20 5.831 10.823 7.766 1.00 3.47 H new ATOM 0 HG2 GLU A 20 5.936 11.868 9.994 1.00 4.03 H new ATOM 0 HG3 GLU A 20 6.360 10.168 10.044 1.00 4.03 H new ATOM 304 N THR A 21 10.268 10.387 7.887 1.00 2.53 N ATOM 305 CA THR A 21 11.595 10.904 7.692 1.00 3.19 C ATOM 306 C THR A 21 12.057 10.642 6.263 1.00 3.12 C ATOM 307 O THR A 21 12.424 11.565 5.539 1.00 3.48 O ATOM 308 CB THR A 21 12.608 10.311 8.736 1.00 4.10 C ATOM 309 OG1 THR A 21 13.968 10.705 8.442 1.00 4.58 O ATOM 310 CG2 THR A 21 12.520 8.790 8.856 1.00 4.86 C ATOM 0 H THR A 21 10.227 9.561 8.485 1.00 2.53 H new ATOM 0 HA THR A 21 11.566 11.981 7.855 1.00 3.19 H new ATOM 0 HB THR A 21 12.318 10.732 9.699 1.00 4.10 H new ATOM 0 HG1 THR A 21 14.284 10.223 7.649 1.00 4.58 H new ATOM 0 HG21 THR A 21 13.244 8.441 9.592 1.00 4.86 H new ATOM 0 HG22 THR A 21 11.516 8.507 9.172 1.00 4.86 H new ATOM 0 HG23 THR A 21 12.737 8.336 7.889 1.00 4.86 H new ATOM 318 N ASP A 22 11.997 9.405 5.865 1.00 3.06 N ATOM 319 CA ASP A 22 12.484 8.968 4.575 1.00 3.18 C ATOM 320 C ASP A 22 11.580 7.903 4.060 1.00 2.90 C ATOM 321 O ASP A 22 11.338 6.902 4.746 1.00 3.34 O ATOM 322 CB ASP A 22 13.915 8.402 4.664 1.00 3.66 C ATOM 323 CG ASP A 22 14.946 9.418 5.081 1.00 4.04 C ATOM 324 OD1 ASP A 22 15.191 9.577 6.298 1.00 4.28 O ATOM 325 OD2 ASP A 22 15.537 10.097 4.189 1.00 4.50 O ATOM 0 H ASP A 22 11.603 8.654 6.432 1.00 3.06 H new ATOM 0 HA ASP A 22 12.501 9.830 3.908 1.00 3.18 H new ATOM 0 HB2 ASP A 22 13.925 7.575 5.374 1.00 3.66 H new ATOM 0 HB3 ASP A 22 14.194 7.992 3.694 1.00 3.66 H new ATOM 330 N GLY A 23 11.092 8.089 2.870 1.00 2.71 N ATOM 331 CA GLY A 23 10.182 7.138 2.291 1.00 2.74 C ATOM 332 C GLY A 23 10.860 6.104 1.483 1.00 2.39 C ATOM 333 O GLY A 23 10.501 5.890 0.314 1.00 2.77 O ATOM 0 H GLY A 23 11.307 8.891 2.278 1.00 2.71 H new ATOM 0 HA2 GLY A 23 9.616 6.655 3.087 1.00 2.74 H new ATOM 0 HA3 GLY A 23 9.464 7.667 1.665 1.00 2.74 H new ATOM 337 N THR A 24 11.862 5.490 2.099 1.00 2.07 N ATOM 338 CA THR A 24 12.570 4.358 1.574 1.00 1.91 C ATOM 339 C THR A 24 12.937 4.533 0.066 1.00 1.88 C ATOM 340 O THR A 24 13.672 5.465 -0.300 1.00 2.57 O ATOM 341 CB THR A 24 11.715 3.089 1.897 1.00 2.18 C ATOM 342 OG1 THR A 24 11.287 3.180 3.275 1.00 2.87 O ATOM 343 CG2 THR A 24 12.522 1.830 1.768 1.00 2.46 C ATOM 0 H THR A 24 12.207 5.788 3.012 1.00 2.07 H new ATOM 0 HA THR A 24 13.545 4.250 2.050 1.00 1.91 H new ATOM 0 HB THR A 24 10.880 3.051 1.197 1.00 2.18 H new ATOM 0 HG1 THR A 24 10.746 2.395 3.502 1.00 2.87 H new ATOM 0 HG21 THR A 24 11.894 0.970 2.000 1.00 2.46 H new ATOM 0 HG22 THR A 24 12.897 1.741 0.748 1.00 2.46 H new ATOM 0 HG23 THR A 24 13.362 1.864 2.462 1.00 2.46 H new ATOM 351 N ASP A 25 12.410 3.701 -0.765 1.00 1.70 N ATOM 352 CA ASP A 25 12.645 3.743 -2.206 1.00 1.79 C ATOM 353 C ASP A 25 11.333 3.885 -2.955 1.00 1.40 C ATOM 354 O ASP A 25 11.221 3.491 -4.114 1.00 1.51 O ATOM 355 CB ASP A 25 13.375 2.474 -2.672 1.00 2.34 C ATOM 356 CG ASP A 25 14.834 2.453 -2.291 1.00 2.77 C ATOM 357 OD1 ASP A 25 15.683 2.983 -3.049 1.00 3.23 O ATOM 358 OD2 ASP A 25 15.158 1.911 -1.220 1.00 3.17 O ATOM 0 H ASP A 25 11.786 2.947 -0.476 1.00 1.70 H new ATOM 0 HA ASP A 25 13.271 4.609 -2.422 1.00 1.79 H new ATOM 0 HB2 ASP A 25 12.882 1.601 -2.244 1.00 2.34 H new ATOM 0 HB3 ASP A 25 13.288 2.390 -3.755 1.00 2.34 H new ATOM 363 N LEU A 26 10.358 4.509 -2.325 1.00 1.16 N ATOM 364 CA LEU A 26 9.026 4.609 -2.918 1.00 0.93 C ATOM 365 C LEU A 26 8.857 5.817 -3.835 1.00 0.82 C ATOM 366 O LEU A 26 7.760 6.046 -4.359 1.00 0.80 O ATOM 367 CB LEU A 26 7.898 4.575 -1.864 1.00 0.99 C ATOM 368 CG LEU A 26 7.772 3.305 -1.002 1.00 0.82 C ATOM 369 CD1 LEU A 26 7.882 2.047 -1.836 1.00 0.95 C ATOM 370 CD2 LEU A 26 8.758 3.294 0.137 1.00 1.03 C ATOM 0 H LEU A 26 10.454 4.953 -1.412 1.00 1.16 H new ATOM 0 HA LEU A 26 8.937 3.717 -3.538 1.00 0.93 H new ATOM 0 HB2 LEU A 26 8.037 5.424 -1.195 1.00 0.99 H new ATOM 0 HB3 LEU A 26 6.950 4.727 -2.380 1.00 0.99 H new ATOM 0 HG LEU A 26 6.774 3.322 -0.564 1.00 0.82 H new ATOM 0 HD11 LEU A 26 7.788 1.173 -1.191 1.00 0.95 H new ATOM 0 HD12 LEU A 26 7.087 2.034 -2.582 1.00 0.95 H new ATOM 0 HD13 LEU A 26 8.850 2.026 -2.337 1.00 0.95 H new ATOM 0 HD21 LEU A 26 8.633 2.380 0.718 1.00 1.03 H new ATOM 0 HD22 LEU A 26 9.772 3.336 -0.260 1.00 1.03 H new ATOM 0 HD23 LEU A 26 8.583 4.158 0.778 1.00 1.03 H new ATOM 382 N SER A 27 9.911 6.590 -4.034 1.00 0.90 N ATOM 383 CA SER A 27 9.834 7.713 -4.938 1.00 0.92 C ATOM 384 C SER A 27 9.800 7.175 -6.360 1.00 0.91 C ATOM 385 O SER A 27 10.634 6.346 -6.738 1.00 1.08 O ATOM 386 CB SER A 27 11.022 8.657 -4.745 1.00 1.15 C ATOM 387 OG SER A 27 10.870 9.858 -5.512 1.00 1.46 O ATOM 0 H SER A 27 10.818 6.459 -3.585 1.00 0.90 H new ATOM 0 HA SER A 27 8.931 8.288 -4.734 1.00 0.92 H new ATOM 0 HB2 SER A 27 11.120 8.909 -3.689 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.942 8.151 -5.039 1.00 1.15 H new ATOM 0 HG SER A 27 11.645 10.440 -5.365 1.00 1.46 H new ATOM 393 N GLY A 28 8.858 7.636 -7.140 1.00 0.93 N ATOM 394 CA GLY A 28 8.694 7.112 -8.460 1.00 0.99 C ATOM 395 C GLY A 28 7.687 6.011 -8.432 1.00 0.85 C ATOM 396 O GLY A 28 6.970 5.853 -7.428 1.00 1.02 O ATOM 0 H GLY A 28 8.198 8.370 -6.881 1.00 0.93 H new ATOM 0 HA2 GLY A 28 8.369 7.900 -9.139 1.00 0.99 H new ATOM 0 HA3 GLY A 28 9.647 6.740 -8.837 1.00 0.99 H new ATOM 400 N ASP A 29 7.574 5.272 -9.483 1.00 0.70 N ATOM 401 CA ASP A 29 6.639 4.178 -9.479 1.00 0.64 C ATOM 402 C ASP A 29 7.382 2.949 -9.040 1.00 0.55 C ATOM 403 O ASP A 29 8.559 2.773 -9.384 1.00 0.74 O ATOM 404 CB ASP A 29 5.992 3.959 -10.840 1.00 0.80 C ATOM 405 CG ASP A 29 4.788 3.044 -10.743 1.00 1.29 C ATOM 406 OD1 ASP A 29 4.958 1.834 -10.541 1.00 2.07 O ATOM 407 OD2 ASP A 29 3.643 3.546 -10.843 1.00 1.68 O ATOM 0 H ASP A 29 8.103 5.394 -10.346 1.00 0.70 H new ATOM 0 HA ASP A 29 5.823 4.407 -8.794 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.688 4.919 -11.258 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.722 3.530 -11.526 1.00 0.80 H new ATOM 412 N PHE A 30 6.742 2.118 -8.278 1.00 0.39 N ATOM 413 CA PHE A 30 7.414 0.986 -7.722 1.00 0.34 C ATOM 414 C PHE A 30 6.583 -0.285 -7.847 1.00 0.31 C ATOM 415 O PHE A 30 6.889 -1.277 -7.210 1.00 0.31 O ATOM 416 CB PHE A 30 7.786 1.264 -6.240 1.00 0.35 C ATOM 417 CG PHE A 30 6.608 1.485 -5.299 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.927 2.697 -5.267 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.201 0.476 -4.438 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.868 2.893 -4.401 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.142 0.663 -3.568 1.00 0.38 C ATOM 422 CZ PHE A 30 4.473 1.875 -3.549 1.00 0.42 C ATOM 0 H PHE A 30 5.757 2.202 -8.027 1.00 0.39 H new ATOM 0 HA PHE A 30 8.329 0.824 -8.292 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.374 0.425 -5.868 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.428 2.144 -6.204 1.00 0.35 H new ATOM 0 HD1 PHE A 30 6.230 3.496 -5.928 1.00 0.39 H new ATOM 0 HD2 PHE A 30 6.720 -0.471 -4.447 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.349 3.840 -4.389 1.00 0.44 H new ATOM 0 HE2 PHE A 30 4.838 -0.134 -2.906 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.645 2.026 -2.872 1.00 0.42 H new ATOM 432 N LEU A 31 5.557 -0.261 -8.694 1.00 0.31 N ATOM 433 CA LEU A 31 4.611 -1.391 -8.831 1.00 0.31 C ATOM 434 C LEU A 31 5.244 -2.784 -9.100 1.00 0.31 C ATOM 435 O LEU A 31 4.630 -3.808 -8.783 1.00 0.35 O ATOM 436 CB LEU A 31 3.472 -1.086 -9.808 1.00 0.33 C ATOM 437 CG LEU A 31 2.569 0.108 -9.439 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.430 0.228 -10.409 1.00 0.39 C ATOM 439 CD2 LEU A 31 2.025 -0.019 -8.033 1.00 0.32 C ATOM 0 H LEU A 31 5.350 0.530 -9.304 1.00 0.31 H new ATOM 0 HA LEU A 31 4.189 -1.483 -7.830 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.903 -0.900 -10.792 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.848 -1.975 -9.897 1.00 0.33 H new ATOM 0 HG LEU A 31 3.184 1.007 -9.489 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.804 1.076 -10.132 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.823 0.380 -11.414 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.835 -0.685 -10.386 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.393 0.840 -7.808 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.437 -0.933 -7.952 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.853 -0.056 -7.325 1.00 0.32 H new ATOM 451 N ASP A 32 6.443 -2.826 -9.675 1.00 0.31 N ATOM 452 CA ASP A 32 7.126 -4.119 -9.932 1.00 0.37 C ATOM 453 C ASP A 32 8.095 -4.478 -8.815 1.00 0.37 C ATOM 454 O ASP A 32 8.595 -5.606 -8.754 1.00 0.45 O ATOM 455 CB ASP A 32 7.899 -4.128 -11.267 1.00 0.48 C ATOM 456 CG ASP A 32 7.029 -4.077 -12.497 1.00 1.29 C ATOM 457 OD1 ASP A 32 6.625 -2.963 -12.924 1.00 1.83 O ATOM 458 OD2 ASP A 32 6.713 -5.137 -13.066 1.00 2.04 O ATOM 0 H ASP A 32 6.966 -2.002 -9.972 1.00 0.31 H new ATOM 0 HA ASP A 32 6.328 -4.860 -9.981 1.00 0.37 H new ATOM 0 HB2 ASP A 32 8.579 -3.276 -11.284 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.513 -5.027 -11.310 1.00 0.48 H new ATOM 463 N LEU A 33 8.378 -3.532 -7.951 1.00 0.35 N ATOM 464 CA LEU A 33 9.304 -3.747 -6.853 1.00 0.37 C ATOM 465 C LEU A 33 8.592 -4.451 -5.728 1.00 0.34 C ATOM 466 O LEU A 33 7.623 -3.945 -5.195 1.00 0.40 O ATOM 467 CB LEU A 33 9.947 -2.428 -6.345 1.00 0.41 C ATOM 468 CG LEU A 33 11.002 -1.739 -7.246 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.419 -1.268 -8.560 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.648 -0.573 -6.513 1.00 1.27 C ATOM 0 H LEU A 33 7.978 -2.594 -7.985 1.00 0.35 H new ATOM 0 HA LEU A 33 10.119 -4.367 -7.225 1.00 0.37 H new ATOM 0 HB2 LEU A 33 9.144 -1.713 -6.164 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.414 -2.633 -5.382 1.00 0.41 H new ATOM 0 HG LEU A 33 11.761 -2.487 -7.476 1.00 0.51 H new ATOM 0 HD11 LEU A 33 11.199 -0.792 -9.154 1.00 1.37 H new ATOM 0 HD12 LEU A 33 10.016 -2.121 -9.106 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.621 -0.551 -8.368 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.387 -0.100 -7.161 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.883 0.155 -6.243 1.00 1.27 H new ATOM 0 HD23 LEU A 33 12.138 -0.937 -5.610 1.00 1.27 H new ATOM 482 N ARG A 34 9.066 -5.615 -5.376 1.00 0.33 N ATOM 483 CA ARG A 34 8.438 -6.394 -4.336 1.00 0.34 C ATOM 484 C ARG A 34 8.806 -5.791 -3.006 1.00 0.29 C ATOM 485 O ARG A 34 9.954 -5.355 -2.820 1.00 0.34 O ATOM 486 CB ARG A 34 8.861 -7.885 -4.370 1.00 0.47 C ATOM 487 CG ARG A 34 8.484 -8.686 -5.635 1.00 0.61 C ATOM 488 CD ARG A 34 9.224 -8.211 -6.883 1.00 1.10 C ATOM 489 NE ARG A 34 10.680 -8.204 -6.672 1.00 1.91 N ATOM 490 CZ ARG A 34 11.551 -7.328 -7.193 1.00 3.03 C ATOM 491 NH1 ARG A 34 11.137 -6.357 -8.007 1.00 3.63 N ATOM 492 NH2 ARG A 34 12.837 -7.437 -6.897 1.00 3.94 N ATOM 0 H ARG A 34 9.889 -6.049 -5.794 1.00 0.33 H new ATOM 0 HA ARG A 34 7.360 -6.370 -4.495 1.00 0.34 H new ATOM 0 HB2 ARG A 34 9.943 -7.934 -4.246 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.419 -8.384 -3.508 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.702 -9.741 -5.469 1.00 0.61 H new ATOM 0 HG3 ARG A 34 7.410 -8.605 -5.803 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.979 -8.861 -7.723 1.00 1.10 H new ATOM 0 HD3 ARG A 34 8.888 -7.208 -7.148 1.00 1.10 H new ATOM 0 HE ARG A 34 11.063 -8.935 -6.072 1.00 1.91 H new ATOM 0 HH11 ARG A 34 10.147 -6.274 -8.240 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.810 -5.697 -8.397 1.00 3.63 H new ATOM 0 HH21 ARG A 34 13.156 -8.182 -6.278 1.00 3.94 H new ATOM 0 HH22 ARG A 34 13.508 -6.776 -7.288 1.00 3.94 H new ATOM 506 N PHE A 35 7.864 -5.769 -2.088 1.00 0.25 N ATOM 507 CA PHE A 35 8.066 -5.137 -0.786 1.00 0.24 C ATOM 508 C PHE A 35 9.246 -5.763 -0.038 1.00 0.27 C ATOM 509 O PHE A 35 10.020 -5.062 0.613 1.00 0.29 O ATOM 510 CB PHE A 35 6.797 -5.193 0.072 1.00 0.26 C ATOM 511 CG PHE A 35 5.580 -4.618 -0.583 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.450 -3.250 -0.768 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.559 -5.442 -0.995 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.316 -2.728 -1.359 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.430 -4.931 -1.584 1.00 0.32 C ATOM 516 CZ PHE A 35 3.305 -3.577 -1.766 1.00 0.35 C ATOM 0 H PHE A 35 6.940 -6.183 -2.214 1.00 0.25 H new ATOM 0 HA PHE A 35 8.299 -4.089 -0.974 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.597 -6.232 0.335 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.980 -4.658 1.004 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.241 -2.588 -0.448 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.647 -6.509 -0.853 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.220 -1.662 -1.502 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.640 -5.594 -1.904 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.416 -3.174 -2.228 1.00 0.35 H new ATOM 526 N GLU A 36 9.385 -7.072 -0.166 1.00 0.37 N ATOM 527 CA GLU A 36 10.484 -7.825 0.431 1.00 0.47 C ATOM 528 C GLU A 36 11.859 -7.260 -0.007 1.00 0.46 C ATOM 529 O GLU A 36 12.809 -7.225 0.777 1.00 0.51 O ATOM 530 CB GLU A 36 10.360 -9.310 0.041 1.00 0.64 C ATOM 531 CG GLU A 36 11.344 -10.238 0.738 1.00 1.56 C ATOM 532 CD GLU A 36 11.199 -10.195 2.238 1.00 2.12 C ATOM 533 OE1 GLU A 36 10.278 -10.830 2.777 1.00 2.45 O ATOM 534 OE2 GLU A 36 12.017 -9.539 2.912 1.00 2.79 O ATOM 0 H GLU A 36 8.732 -7.652 -0.693 1.00 0.37 H new ATOM 0 HA GLU A 36 10.422 -7.729 1.515 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.347 -9.646 0.262 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.498 -9.401 -1.036 1.00 0.64 H new ATOM 0 HG2 GLU A 36 11.189 -11.259 0.388 1.00 1.56 H new ATOM 0 HG3 GLU A 36 12.361 -9.958 0.464 1.00 1.56 H new ATOM 541 N ASP A 37 11.938 -6.765 -1.232 1.00 0.44 N ATOM 542 CA ASP A 37 13.201 -6.266 -1.778 1.00 0.50 C ATOM 543 C ASP A 37 13.457 -4.846 -1.324 1.00 0.48 C ATOM 544 O ASP A 37 14.599 -4.455 -1.091 1.00 0.60 O ATOM 545 CB ASP A 37 13.201 -6.323 -3.312 1.00 0.57 C ATOM 546 CG ASP A 37 14.525 -5.883 -3.920 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.730 -4.677 -4.154 1.00 0.88 O ATOM 548 OD2 ASP A 37 15.381 -6.743 -4.198 1.00 0.74 O ATOM 0 H ASP A 37 11.146 -6.696 -1.871 1.00 0.44 H new ATOM 0 HA ASP A 37 13.997 -6.910 -1.404 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.980 -7.341 -3.633 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.402 -5.688 -3.694 1.00 0.57 H new ATOM 553 N ILE A 38 12.393 -4.094 -1.134 1.00 0.40 N ATOM 554 CA ILE A 38 12.516 -2.695 -0.753 1.00 0.42 C ATOM 555 C ILE A 38 12.470 -2.497 0.760 1.00 0.42 C ATOM 556 O ILE A 38 12.196 -1.409 1.246 1.00 0.50 O ATOM 557 CB ILE A 38 11.479 -1.784 -1.466 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.044 -2.286 -1.213 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.782 -1.710 -2.957 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.961 -1.457 -1.871 1.00 0.60 C ATOM 0 H ILE A 38 11.433 -4.424 -1.236 1.00 0.40 H new ATOM 0 HA ILE A 38 13.504 -2.385 -1.094 1.00 0.42 H new ATOM 0 HB ILE A 38 11.554 -0.779 -1.052 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.964 -3.313 -1.570 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.865 -2.307 -0.138 1.00 0.47 H new ATOM 0 HG21 ILE A 38 11.049 -1.069 -3.446 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.780 -1.298 -3.105 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.734 -2.710 -3.388 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.985 -1.883 -1.639 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.008 -0.434 -1.497 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.109 -1.456 -2.951 1.00 0.60 H new ATOM 572 N GLY A 39 12.791 -3.550 1.489 1.00 0.42 N ATOM 573 CA GLY A 39 12.927 -3.462 2.923 1.00 0.50 C ATOM 574 C GLY A 39 11.612 -3.342 3.658 1.00 0.47 C ATOM 575 O GLY A 39 11.522 -2.643 4.672 1.00 0.66 O ATOM 0 H GLY A 39 12.962 -4.479 1.105 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.453 -4.346 3.283 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.548 -2.600 3.167 1.00 0.50 H new ATOM 579 N TYR A 40 10.601 -3.993 3.167 1.00 0.36 N ATOM 580 CA TYR A 40 9.319 -3.977 3.816 1.00 0.36 C ATOM 581 C TYR A 40 8.988 -5.281 4.464 1.00 0.42 C ATOM 582 O TYR A 40 8.836 -6.310 3.792 1.00 0.59 O ATOM 583 CB TYR A 40 8.209 -3.573 2.872 1.00 0.36 C ATOM 584 CG TYR A 40 7.974 -2.104 2.809 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.806 -1.305 2.045 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.942 -1.507 3.503 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.618 0.046 1.973 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.742 -0.150 3.442 1.00 0.90 C ATOM 589 CZ TYR A 40 7.495 0.614 2.712 1.00 1.04 C ATOM 590 OH TYR A 40 7.396 1.982 2.621 1.00 1.33 O ATOM 0 H TYR A 40 10.637 -4.547 2.312 1.00 0.36 H new ATOM 0 HA TYR A 40 9.397 -3.223 4.600 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.446 -3.936 1.872 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.287 -4.066 3.180 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.618 -1.758 1.496 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.282 -2.116 4.103 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.277 0.672 1.390 1.00 0.95 H new ATOM 0 HE2 TYR A 40 5.940 0.291 4.015 1.00 0.90 H new ATOM 0 HH TYR A 40 6.662 2.295 3.189 1.00 1.33 H new ATOM 600 N ASP A 41 8.854 -5.234 5.762 1.00 0.42 N ATOM 601 CA ASP A 41 8.452 -6.384 6.535 1.00 0.51 C ATOM 602 C ASP A 41 6.960 -6.453 6.458 1.00 0.44 C ATOM 603 O ASP A 41 6.303 -5.412 6.368 1.00 0.38 O ATOM 604 CB ASP A 41 8.836 -6.242 8.010 1.00 0.67 C ATOM 605 CG ASP A 41 10.315 -6.070 8.263 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.800 -4.918 8.274 1.00 0.99 O ATOM 607 OD2 ASP A 41 11.018 -7.086 8.495 1.00 1.06 O ATOM 0 H ASP A 41 9.021 -4.395 6.318 1.00 0.42 H new ATOM 0 HA ASP A 41 8.945 -7.272 6.139 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.308 -5.385 8.428 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.489 -7.124 8.548 1.00 0.67 H new ATOM 612 N SER A 42 6.425 -7.636 6.471 1.00 0.51 N ATOM 613 CA SER A 42 5.000 -7.850 6.375 1.00 0.48 C ATOM 614 C SER A 42 4.180 -7.057 7.417 1.00 0.41 C ATOM 615 O SER A 42 3.088 -6.581 7.115 1.00 0.37 O ATOM 616 CB SER A 42 4.708 -9.321 6.417 1.00 0.59 C ATOM 617 OG SER A 42 5.294 -9.923 7.575 1.00 1.03 O ATOM 0 H SER A 42 6.967 -8.496 6.549 1.00 0.51 H new ATOM 0 HA SER A 42 4.674 -7.451 5.414 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.630 -9.482 6.424 1.00 0.59 H new ATOM 0 HB3 SER A 42 5.096 -9.799 5.517 1.00 0.59 H new ATOM 0 HG SER A 42 5.090 -10.882 7.584 1.00 1.03 H new ATOM 623 N LEU A 43 4.711 -6.901 8.628 1.00 0.45 N ATOM 624 CA LEU A 43 4.012 -6.148 9.657 1.00 0.46 C ATOM 625 C LEU A 43 3.955 -4.670 9.252 1.00 0.41 C ATOM 626 O LEU A 43 2.895 -4.063 9.292 1.00 0.41 O ATOM 627 CB LEU A 43 4.668 -6.367 11.043 1.00 0.59 C ATOM 628 CG LEU A 43 3.883 -5.928 12.312 1.00 0.75 C ATOM 629 CD1 LEU A 43 4.550 -6.495 13.545 1.00 1.56 C ATOM 630 CD2 LEU A 43 3.798 -4.409 12.449 1.00 1.24 C ATOM 0 H LEU A 43 5.612 -7.282 8.915 1.00 0.45 H new ATOM 0 HA LEU A 43 2.987 -6.508 9.748 1.00 0.46 H new ATOM 0 HB2 LEU A 43 4.889 -7.430 11.141 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.623 -5.841 11.045 1.00 0.59 H new ATOM 0 HG LEU A 43 2.868 -6.312 12.210 1.00 0.75 H new ATOM 0 HD11 LEU A 43 3.998 -6.186 14.432 1.00 1.56 H new ATOM 0 HD12 LEU A 43 4.560 -7.583 13.485 1.00 1.56 H new ATOM 0 HD13 LEU A 43 5.573 -6.125 13.608 1.00 1.56 H new ATOM 0 HD21 LEU A 43 3.240 -4.156 13.351 1.00 1.24 H new ATOM 0 HD22 LEU A 43 4.803 -3.993 12.515 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.290 -3.993 11.579 1.00 1.24 H new ATOM 642 N ALA A 44 5.090 -4.122 8.818 1.00 0.39 N ATOM 643 CA ALA A 44 5.163 -2.738 8.330 1.00 0.39 C ATOM 644 C ALA A 44 4.263 -2.558 7.103 1.00 0.34 C ATOM 645 O ALA A 44 3.670 -1.500 6.889 1.00 0.40 O ATOM 646 CB ALA A 44 6.602 -2.365 7.998 1.00 0.43 C ATOM 0 H ALA A 44 5.981 -4.618 8.793 1.00 0.39 H new ATOM 0 HA ALA A 44 4.810 -2.073 9.118 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.638 -1.337 7.638 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.218 -2.458 8.893 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.982 -3.033 7.225 1.00 0.43 H new ATOM 652 N LEU A 45 4.165 -3.604 6.318 1.00 0.29 N ATOM 653 CA LEU A 45 3.291 -3.647 5.169 1.00 0.28 C ATOM 654 C LEU A 45 1.826 -3.535 5.620 1.00 0.25 C ATOM 655 O LEU A 45 1.073 -2.681 5.137 1.00 0.26 O ATOM 656 CB LEU A 45 3.536 -4.946 4.400 1.00 0.30 C ATOM 657 CG LEU A 45 2.731 -5.151 3.127 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.995 -4.024 2.170 1.00 0.43 C ATOM 659 CD2 LEU A 45 3.113 -6.460 2.487 1.00 0.38 C ATOM 0 H LEU A 45 4.698 -4.462 6.461 1.00 0.29 H new ATOM 0 HA LEU A 45 3.503 -2.806 4.509 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.594 -4.995 4.144 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.331 -5.781 5.070 1.00 0.30 H new ATOM 0 HG LEU A 45 1.670 -5.169 3.376 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.415 -4.176 1.260 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.705 -3.080 2.631 1.00 0.43 H new ATOM 0 HD13 LEU A 45 4.057 -3.997 1.924 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.533 -6.602 1.575 1.00 0.38 H new ATOM 0 HD22 LEU A 45 4.175 -6.450 2.244 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.907 -7.277 3.179 1.00 0.38 H new ATOM 671 N MET A 46 1.437 -4.373 6.574 1.00 0.24 N ATOM 672 CA MET A 46 0.083 -4.336 7.134 1.00 0.23 C ATOM 673 C MET A 46 -0.183 -3.013 7.852 1.00 0.25 C ATOM 674 O MET A 46 -1.294 -2.545 7.874 1.00 0.27 O ATOM 675 CB MET A 46 -0.192 -5.519 8.067 1.00 0.27 C ATOM 676 CG MET A 46 -0.132 -6.879 7.378 1.00 0.34 C ATOM 677 SD MET A 46 -0.417 -8.265 8.506 1.00 0.50 S ATOM 678 CE MET A 46 0.999 -8.111 9.599 1.00 1.49 C ATOM 0 H MET A 46 2.039 -5.090 6.980 1.00 0.24 H new ATOM 0 HA MET A 46 -0.605 -4.418 6.293 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.533 -5.503 8.881 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.177 -5.393 8.516 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.876 -6.908 6.582 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.844 -6.997 6.907 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.074 -9.001 10.224 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.907 -8.007 9.005 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.876 -7.232 10.232 1.00 1.49 H new ATOM 688 N GLU A 47 0.870 -2.427 8.418 1.00 0.29 N ATOM 689 CA GLU A 47 0.835 -1.109 9.097 1.00 0.34 C ATOM 690 C GLU A 47 0.406 -0.027 8.088 1.00 0.32 C ATOM 691 O GLU A 47 -0.371 0.893 8.397 1.00 0.36 O ATOM 692 CB GLU A 47 2.262 -0.794 9.579 1.00 0.45 C ATOM 693 CG GLU A 47 2.432 0.473 10.385 1.00 0.58 C ATOM 694 CD GLU A 47 1.843 0.374 11.756 1.00 1.03 C ATOM 695 OE1 GLU A 47 2.540 -0.105 12.668 1.00 1.25 O ATOM 696 OE2 GLU A 47 0.692 0.792 11.960 1.00 1.88 O ATOM 0 H GLU A 47 1.796 -2.854 8.424 1.00 0.29 H new ATOM 0 HA GLU A 47 0.134 -1.128 9.931 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.613 -1.632 10.181 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.913 -0.734 8.706 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.494 0.706 10.467 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.964 1.302 9.853 1.00 0.58 H new ATOM 703 N THR A 48 0.892 -0.198 6.886 1.00 0.30 N ATOM 704 CA THR A 48 0.654 0.690 5.775 1.00 0.33 C ATOM 705 C THR A 48 -0.807 0.597 5.410 1.00 0.29 C ATOM 706 O THR A 48 -1.541 1.598 5.403 1.00 0.33 O ATOM 707 CB THR A 48 1.531 0.277 4.569 1.00 0.36 C ATOM 708 OG1 THR A 48 2.921 0.270 4.955 1.00 0.42 O ATOM 709 CG2 THR A 48 1.339 1.237 3.407 1.00 0.45 C ATOM 0 H THR A 48 1.488 -0.990 6.644 1.00 0.30 H new ATOM 0 HA THR A 48 0.910 1.714 6.047 1.00 0.33 H new ATOM 0 HB THR A 48 1.229 -0.722 4.254 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.079 -0.455 5.595 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.966 0.926 2.571 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.293 1.231 3.099 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.620 2.244 3.716 1.00 0.45 H new ATOM 717 N ALA A 49 -1.222 -0.629 5.119 1.00 0.25 N ATOM 718 CA ALA A 49 -2.593 -0.935 4.810 1.00 0.24 C ATOM 719 C ALA A 49 -3.507 -0.494 5.950 1.00 0.22 C ATOM 720 O ALA A 49 -4.602 -0.032 5.713 1.00 0.23 O ATOM 721 CB ALA A 49 -2.742 -2.421 4.535 1.00 0.27 C ATOM 0 H ALA A 49 -0.603 -1.439 5.093 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.887 -0.388 3.914 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.783 -2.645 4.302 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.113 -2.700 3.690 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.438 -2.986 5.416 1.00 0.27 H new ATOM 727 N ALA A 50 -3.010 -0.611 7.187 1.00 0.23 N ATOM 728 CA ALA A 50 -3.735 -0.220 8.373 1.00 0.26 C ATOM 729 C ALA A 50 -4.106 1.243 8.339 1.00 0.28 C ATOM 730 O ALA A 50 -5.233 1.621 8.698 1.00 0.30 O ATOM 731 CB ALA A 50 -2.984 -0.557 9.647 1.00 0.33 C ATOM 0 H ALA A 50 -2.081 -0.986 7.381 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.656 -0.803 8.378 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.572 -0.243 10.510 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.814 -1.633 9.696 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.025 -0.038 9.652 1.00 0.33 H new ATOM 737 N ARG A 51 -3.160 2.072 7.891 1.00 0.31 N ATOM 738 CA ARG A 51 -3.415 3.488 7.740 1.00 0.37 C ATOM 739 C ARG A 51 -4.457 3.694 6.686 1.00 0.36 C ATOM 740 O ARG A 51 -5.365 4.453 6.874 1.00 0.40 O ATOM 741 CB ARG A 51 -2.167 4.296 7.371 1.00 0.45 C ATOM 742 CG ARG A 51 -1.101 4.378 8.439 1.00 0.54 C ATOM 743 CD ARG A 51 -0.052 5.400 8.046 1.00 0.70 C ATOM 744 NE ARG A 51 1.009 5.540 9.042 1.00 1.59 N ATOM 745 CZ ARG A 51 1.358 6.685 9.638 1.00 1.76 C ATOM 746 NH1 ARG A 51 0.587 7.767 9.525 1.00 1.27 N ATOM 747 NH2 ARG A 51 2.447 6.721 10.401 1.00 2.84 N ATOM 0 H ARG A 51 -2.218 1.780 7.630 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.755 3.850 8.710 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.725 3.859 6.475 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.476 5.309 7.113 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.550 4.654 9.393 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.636 3.402 8.576 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.389 5.112 7.092 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.532 6.367 7.896 1.00 0.70 H new ATOM 0 HE ARG A 51 1.523 4.699 9.303 1.00 1.59 H new ATOM 0 HH11 ARG A 51 -0.275 7.724 8.981 1.00 1.27 H new ATOM 0 HH12 ARG A 51 0.859 8.637 9.982 1.00 1.27 H new ATOM 0 HH21 ARG A 51 3.009 5.879 10.528 1.00 2.84 H new ATOM 0 HH22 ARG A 51 2.720 7.590 10.859 1.00 2.84 H new ATOM 761 N LEU A 52 -4.347 2.946 5.601 1.00 0.32 N ATOM 762 CA LEU A 52 -5.270 3.040 4.485 1.00 0.34 C ATOM 763 C LEU A 52 -6.687 2.681 4.932 1.00 0.33 C ATOM 764 O LEU A 52 -7.654 3.359 4.559 1.00 0.37 O ATOM 765 CB LEU A 52 -4.797 2.122 3.356 1.00 0.35 C ATOM 766 CG LEU A 52 -3.445 2.490 2.727 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.983 1.409 1.774 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.553 3.811 1.992 1.00 0.69 C ATOM 0 H LEU A 52 -3.610 2.253 5.470 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.291 4.066 4.116 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.734 1.104 3.741 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.554 2.120 2.572 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.711 2.583 3.528 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -2.024 1.692 1.341 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.874 0.469 2.315 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.718 1.287 0.979 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.589 4.062 1.550 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.302 3.729 1.205 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.846 4.594 2.692 1.00 0.69 H new ATOM 780 N GLU A 53 -6.790 1.643 5.754 1.00 0.29 N ATOM 781 CA GLU A 53 -8.051 1.224 6.346 1.00 0.32 C ATOM 782 C GLU A 53 -8.668 2.370 7.127 1.00 0.35 C ATOM 783 O GLU A 53 -9.787 2.802 6.842 1.00 0.42 O ATOM 784 CB GLU A 53 -7.838 0.049 7.295 1.00 0.32 C ATOM 785 CG GLU A 53 -7.305 -1.202 6.652 1.00 0.34 C ATOM 786 CD GLU A 53 -7.104 -2.295 7.656 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.067 -3.027 7.946 1.00 0.48 O ATOM 788 OE2 GLU A 53 -5.994 -2.426 8.196 1.00 0.46 O ATOM 0 H GLU A 53 -5.995 1.066 6.029 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.716 0.922 5.537 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.148 0.357 8.081 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.787 -0.185 7.777 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.997 -1.539 5.880 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.359 -0.983 6.157 1.00 0.34 H new ATOM 795 N SER A 54 -7.903 2.878 8.066 1.00 0.35 N ATOM 796 CA SER A 54 -8.337 3.939 8.958 1.00 0.41 C ATOM 797 C SER A 54 -8.660 5.247 8.171 1.00 0.45 C ATOM 798 O SER A 54 -9.758 5.819 8.282 1.00 0.55 O ATOM 799 CB SER A 54 -7.217 4.175 9.987 1.00 0.47 C ATOM 800 OG SER A 54 -7.613 5.024 11.048 1.00 1.19 O ATOM 0 H SER A 54 -6.948 2.564 8.237 1.00 0.35 H new ATOM 0 HA SER A 54 -9.257 3.646 9.463 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.898 3.216 10.396 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.354 4.610 9.483 1.00 0.47 H new ATOM 0 HG SER A 54 -6.866 5.138 11.672 1.00 1.19 H new ATOM 806 N ARG A 55 -7.723 5.646 7.342 1.00 0.44 N ATOM 807 CA ARG A 55 -7.760 6.882 6.568 1.00 0.54 C ATOM 808 C ARG A 55 -8.910 6.931 5.561 1.00 0.56 C ATOM 809 O ARG A 55 -9.598 7.937 5.458 1.00 0.68 O ATOM 810 CB ARG A 55 -6.397 7.029 5.879 1.00 0.63 C ATOM 811 CG ARG A 55 -6.197 8.140 4.873 1.00 0.83 C ATOM 812 CD ARG A 55 -4.746 8.079 4.419 1.00 1.08 C ATOM 813 NE ARG A 55 -4.418 8.915 3.258 1.00 1.65 N ATOM 814 CZ ARG A 55 -3.158 9.173 2.880 1.00 2.21 C ATOM 815 NH1 ARG A 55 -2.163 8.924 3.725 1.00 2.35 N ATOM 816 NH2 ARG A 55 -2.903 9.729 1.695 1.00 3.07 N ATOM 0 H ARG A 55 -6.877 5.102 7.176 1.00 0.44 H new ATOM 0 HA ARG A 55 -7.948 7.720 7.240 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.646 7.153 6.659 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.180 6.087 5.375 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -6.871 8.017 4.025 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.420 9.109 5.320 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -4.109 8.376 5.252 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -4.499 7.044 4.182 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.182 9.317 2.715 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -2.362 8.541 4.649 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -1.200 9.116 3.449 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -3.671 9.963 1.065 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -1.940 9.921 1.418 1.00 3.07 H new ATOM 830 N TYR A 56 -9.139 5.862 4.843 1.00 0.50 N ATOM 831 CA TYR A 56 -10.166 5.894 3.814 1.00 0.57 C ATOM 832 C TYR A 56 -11.490 5.325 4.276 1.00 0.61 C ATOM 833 O TYR A 56 -12.517 5.519 3.618 1.00 0.74 O ATOM 834 CB TYR A 56 -9.683 5.230 2.531 1.00 0.62 C ATOM 835 CG TYR A 56 -8.506 5.952 1.930 1.00 0.67 C ATOM 836 CD1 TYR A 56 -8.666 7.141 1.245 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.238 5.420 2.021 1.00 0.74 C ATOM 838 CE1 TYR A 56 -7.586 7.774 0.675 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.155 6.049 1.457 1.00 0.85 C ATOM 840 CZ TYR A 56 -6.360 7.335 0.869 1.00 0.91 C ATOM 841 OH TYR A 56 -5.255 7.857 0.219 1.00 1.01 O ATOM 0 H TYR A 56 -8.646 4.975 4.941 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.353 6.946 3.599 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.406 4.197 2.740 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.498 5.202 1.808 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -9.650 7.578 1.156 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.093 4.488 2.547 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -7.746 8.646 0.058 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.179 5.586 1.458 1.00 0.85 H new ATOM 0 HH TYR A 56 -4.449 7.384 0.513 1.00 1.01 H new ATOM 851 N GLY A 57 -11.484 4.661 5.407 1.00 0.58 N ATOM 852 CA GLY A 57 -12.701 4.081 5.910 1.00 0.66 C ATOM 853 C GLY A 57 -12.979 2.768 5.235 1.00 0.71 C ATOM 854 O GLY A 57 -14.030 2.576 4.629 1.00 0.93 O ATOM 0 H GLY A 57 -10.660 4.511 5.989 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.622 3.933 6.987 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.533 4.765 5.743 1.00 0.66 H new ATOM 858 N VAL A 58 -12.034 1.881 5.331 1.00 0.60 N ATOM 859 CA VAL A 58 -12.121 0.579 4.725 1.00 0.65 C ATOM 860 C VAL A 58 -11.541 -0.442 5.724 1.00 0.60 C ATOM 861 O VAL A 58 -11.085 -0.037 6.799 1.00 0.70 O ATOM 862 CB VAL A 58 -11.373 0.555 3.327 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.875 0.758 3.464 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.688 -0.681 2.494 1.00 1.16 C ATOM 0 H VAL A 58 -11.165 2.041 5.840 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.158 0.319 4.511 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.771 1.409 2.779 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.413 0.733 2.477 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.680 1.723 3.931 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.455 -0.036 4.082 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.143 -0.633 1.551 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.388 -1.575 3.041 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.759 -0.721 2.293 1.00 1.16 H new ATOM 874 N SER A 59 -11.584 -1.711 5.414 1.00 0.62 N ATOM 875 CA SER A 59 -11.014 -2.716 6.263 1.00 0.67 C ATOM 876 C SER A 59 -10.369 -3.783 5.367 1.00 0.59 C ATOM 877 O SER A 59 -10.951 -4.171 4.331 1.00 0.72 O ATOM 878 CB SER A 59 -12.109 -3.312 7.168 1.00 0.92 C ATOM 879 OG SER A 59 -11.549 -4.051 8.247 1.00 1.87 O ATOM 0 H SER A 59 -12.016 -2.074 4.564 1.00 0.62 H new ATOM 0 HA SER A 59 -10.250 -2.293 6.916 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.734 -2.510 7.561 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.756 -3.961 6.578 1.00 0.92 H new ATOM 0 HG SER A 59 -12.269 -4.414 8.803 1.00 1.87 H new ATOM 885 N ILE A 60 -9.176 -4.220 5.726 1.00 0.48 N ATOM 886 CA ILE A 60 -8.417 -5.161 4.913 1.00 0.45 C ATOM 887 C ILE A 60 -8.050 -6.398 5.735 1.00 0.51 C ATOM 888 O ILE A 60 -7.491 -6.271 6.828 1.00 0.57 O ATOM 889 CB ILE A 60 -7.096 -4.504 4.399 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.394 -3.210 3.628 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.306 -5.476 3.515 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.155 -2.433 3.249 1.00 0.41 C ATOM 0 H ILE A 60 -8.705 -3.936 6.585 1.00 0.48 H new ATOM 0 HA ILE A 60 -9.041 -5.446 4.066 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.487 -4.258 5.269 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.950 -3.456 2.723 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.039 -2.575 4.235 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.391 -4.993 3.171 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -6.052 -6.367 4.090 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.912 -5.760 2.655 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.442 -1.532 2.707 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.609 -2.156 4.151 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.518 -3.050 2.615 1.00 0.41 H new ATOM 904 N PRO A 61 -8.383 -7.603 5.236 1.00 0.58 N ATOM 905 CA PRO A 61 -8.005 -8.868 5.886 1.00 0.66 C ATOM 906 C PRO A 61 -6.474 -9.001 6.021 1.00 0.56 C ATOM 907 O PRO A 61 -5.730 -8.802 5.040 1.00 0.44 O ATOM 908 CB PRO A 61 -8.550 -9.937 4.935 1.00 0.78 C ATOM 909 CG PRO A 61 -9.635 -9.255 4.182 1.00 0.87 C ATOM 910 CD PRO A 61 -9.188 -7.836 4.021 1.00 0.66 C ATOM 0 HA PRO A 61 -8.399 -8.946 6.899 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.773 -10.304 4.264 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.930 -10.799 5.484 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.795 -9.727 3.213 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.580 -9.309 4.723 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.599 -7.699 3.114 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -10.033 -7.151 3.959 1.00 0.66 H new ATOM 918 N ASP A 62 -6.038 -9.355 7.224 1.00 0.67 N ATOM 919 CA ASP A 62 -4.609 -9.452 7.616 1.00 0.67 C ATOM 920 C ASP A 62 -3.804 -10.335 6.671 1.00 0.54 C ATOM 921 O ASP A 62 -2.678 -10.002 6.304 1.00 0.52 O ATOM 922 CB ASP A 62 -4.455 -10.004 9.050 1.00 0.90 C ATOM 923 CG ASP A 62 -5.077 -9.143 10.138 1.00 1.18 C ATOM 924 OD1 ASP A 62 -6.316 -9.131 10.285 1.00 1.29 O ATOM 925 OD2 ASP A 62 -4.342 -8.394 10.819 1.00 1.83 O ATOM 0 H ASP A 62 -6.674 -9.592 7.985 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.219 -8.435 7.564 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -4.904 -10.997 9.092 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.393 -10.125 9.265 1.00 0.90 H new ATOM 930 N ASP A 63 -4.400 -11.442 6.259 1.00 0.56 N ATOM 931 CA ASP A 63 -3.732 -12.408 5.381 1.00 0.55 C ATOM 932 C ASP A 63 -3.473 -11.812 4.019 1.00 0.44 C ATOM 933 O ASP A 63 -2.395 -11.963 3.479 1.00 0.46 O ATOM 934 CB ASP A 63 -4.581 -13.672 5.230 1.00 0.75 C ATOM 935 CG ASP A 63 -4.009 -14.678 4.244 1.00 1.54 C ATOM 936 OD1 ASP A 63 -3.181 -15.522 4.639 1.00 1.84 O ATOM 937 OD2 ASP A 63 -4.427 -14.681 3.073 1.00 2.34 O ATOM 0 H ASP A 63 -5.352 -11.701 6.517 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.777 -12.667 5.839 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.683 -14.149 6.205 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.583 -13.390 4.907 1.00 0.75 H new ATOM 942 N VAL A 64 -4.439 -11.071 3.513 1.00 0.41 N ATOM 943 CA VAL A 64 -4.332 -10.460 2.197 1.00 0.40 C ATOM 944 C VAL A 64 -3.341 -9.301 2.260 1.00 0.34 C ATOM 945 O VAL A 64 -2.518 -9.118 1.358 1.00 0.41 O ATOM 946 CB VAL A 64 -5.715 -9.939 1.710 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.616 -9.343 0.310 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.753 -11.054 1.737 1.00 0.66 C ATOM 0 H VAL A 64 -5.316 -10.875 3.996 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.983 -11.213 1.490 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.032 -9.152 2.394 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.597 -8.987 -0.004 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.913 -8.510 0.318 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.267 -10.105 -0.386 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.712 -10.667 1.393 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.433 -11.865 1.083 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.858 -11.429 2.755 1.00 0.66 H new ATOM 958 N ALA A 65 -3.408 -8.550 3.352 1.00 0.33 N ATOM 959 CA ALA A 65 -2.517 -7.420 3.599 1.00 0.39 C ATOM 960 C ALA A 65 -1.039 -7.846 3.578 1.00 0.41 C ATOM 961 O ALA A 65 -0.172 -7.074 3.192 1.00 0.51 O ATOM 962 CB ALA A 65 -2.865 -6.759 4.926 1.00 0.46 C ATOM 0 H ALA A 65 -4.086 -8.708 4.097 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.660 -6.699 2.794 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.194 -5.918 5.100 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.895 -6.402 4.896 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.755 -7.483 5.733 1.00 0.46 H new ATOM 968 N GLY A 66 -0.770 -9.077 3.984 1.00 0.40 N ATOM 969 CA GLY A 66 0.589 -9.573 3.983 1.00 0.48 C ATOM 970 C GLY A 66 0.836 -10.590 2.882 1.00 0.48 C ATOM 971 O GLY A 66 1.875 -11.251 2.858 1.00 0.61 O ATOM 0 H GLY A 66 -1.469 -9.742 4.314 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.278 -8.737 3.862 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.807 -10.028 4.949 1.00 0.48 H new ATOM 975 N ARG A 67 -0.104 -10.701 1.965 1.00 0.43 N ATOM 976 CA ARG A 67 -0.017 -11.671 0.872 1.00 0.48 C ATOM 977 C ARG A 67 0.524 -10.995 -0.375 1.00 0.36 C ATOM 978 O ARG A 67 1.021 -11.646 -1.305 1.00 0.40 O ATOM 979 CB ARG A 67 -1.421 -12.237 0.578 1.00 0.64 C ATOM 980 CG ARG A 67 -1.470 -13.314 -0.487 1.00 1.16 C ATOM 981 CD ARG A 67 -0.681 -14.529 -0.069 1.00 1.45 C ATOM 982 NE ARG A 67 -0.676 -15.558 -1.102 1.00 2.16 N ATOM 983 CZ ARG A 67 -0.684 -16.866 -0.870 1.00 3.05 C ATOM 984 NH1 ARG A 67 -0.818 -17.323 0.380 1.00 3.43 N ATOM 985 NH2 ARG A 67 -0.591 -17.721 -1.882 1.00 3.98 N ATOM 0 H ARG A 67 -0.948 -10.129 1.949 1.00 0.43 H new ATOM 0 HA ARG A 67 0.653 -12.480 1.162 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.833 -12.643 1.502 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -2.070 -11.416 0.273 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -2.506 -13.597 -0.675 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -1.071 -12.922 -1.423 1.00 1.16 H new ATOM 0 HD2 ARG A 67 0.344 -14.236 0.156 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -1.104 -14.938 0.848 1.00 1.45 H new ATOM 0 HE ARG A 67 -0.666 -15.251 -2.075 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -0.914 -16.667 1.155 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -0.824 -18.327 0.558 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -0.513 -17.373 -2.838 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -0.597 -18.725 -1.703 1.00 3.98 H new ATOM 999 N VAL A 68 0.418 -9.706 -0.390 1.00 0.33 N ATOM 1000 CA VAL A 68 0.831 -8.915 -1.513 1.00 0.34 C ATOM 1001 C VAL A 68 2.339 -8.706 -1.547 1.00 0.35 C ATOM 1002 O VAL A 68 2.939 -8.170 -0.618 1.00 0.44 O ATOM 1003 CB VAL A 68 0.096 -7.561 -1.546 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.387 -7.784 -1.811 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.274 -6.794 -0.237 1.00 0.41 C ATOM 0 H VAL A 68 0.038 -9.162 0.385 1.00 0.33 H new ATOM 0 HA VAL A 68 0.559 -9.476 -2.407 1.00 0.34 H new ATOM 0 HB VAL A 68 0.530 -6.965 -2.349 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -1.901 -6.823 -1.833 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.514 -8.286 -2.770 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.809 -8.403 -1.019 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.258 -5.844 -0.297 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.127 -7.383 0.588 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.334 -6.606 -0.067 1.00 0.41 H new ATOM 1015 N ASP A 69 2.948 -9.206 -2.574 1.00 0.36 N ATOM 1016 CA ASP A 69 4.356 -8.997 -2.790 1.00 0.40 C ATOM 1017 C ASP A 69 4.581 -7.839 -3.678 1.00 0.32 C ATOM 1018 O ASP A 69 5.516 -7.059 -3.485 1.00 0.32 O ATOM 1019 CB ASP A 69 5.059 -10.221 -3.341 1.00 0.57 C ATOM 1020 CG ASP A 69 5.291 -11.291 -2.308 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.103 -11.082 -1.366 1.00 1.27 O ATOM 1022 OD2 ASP A 69 4.639 -12.347 -2.378 1.00 1.91 O ATOM 0 H ASP A 69 2.490 -9.771 -3.289 1.00 0.36 H new ATOM 0 HA ASP A 69 4.790 -8.794 -1.811 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.466 -10.636 -4.156 1.00 0.57 H new ATOM 0 HB3 ASP A 69 6.017 -9.921 -3.765 1.00 0.57 H new ATOM 1027 N THR A 70 3.750 -7.715 -4.659 1.00 0.32 N ATOM 1028 CA THR A 70 3.867 -6.648 -5.569 1.00 0.31 C ATOM 1029 C THR A 70 2.802 -5.585 -5.310 1.00 0.27 C ATOM 1030 O THR A 70 1.629 -5.904 -5.027 1.00 0.29 O ATOM 1031 CB THR A 70 3.843 -7.170 -7.004 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.660 -7.945 -7.213 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.066 -8.045 -7.226 1.00 0.47 C ATOM 0 H THR A 70 2.976 -8.353 -4.844 1.00 0.32 H new ATOM 0 HA THR A 70 4.830 -6.160 -5.420 1.00 0.31 H new ATOM 0 HB THR A 70 3.851 -6.333 -7.702 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.645 -8.278 -8.135 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.061 -8.425 -8.248 1.00 0.47 H new ATOM 0 HG22 THR A 70 5.969 -7.457 -7.062 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.046 -8.882 -6.528 1.00 0.47 H new ATOM 1041 N PRO A 71 3.204 -4.308 -5.357 1.00 0.25 N ATOM 1042 CA PRO A 71 2.325 -3.162 -5.118 1.00 0.24 C ATOM 1043 C PRO A 71 1.062 -3.175 -5.956 1.00 0.21 C ATOM 1044 O PRO A 71 0.016 -2.756 -5.483 1.00 0.25 O ATOM 1045 CB PRO A 71 3.201 -1.970 -5.463 1.00 0.29 C ATOM 1046 CG PRO A 71 4.572 -2.448 -5.194 1.00 0.32 C ATOM 1047 CD PRO A 71 4.588 -3.876 -5.606 1.00 0.30 C ATOM 0 HA PRO A 71 1.952 -3.155 -4.094 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.079 -1.672 -6.504 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.953 -1.102 -4.852 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.306 -1.870 -5.756 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.824 -2.342 -4.139 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.864 -3.991 -6.654 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.303 -4.456 -5.023 1.00 0.30 H new ATOM 1055 N ARG A 72 1.161 -3.655 -7.198 1.00 0.22 N ATOM 1056 CA ARG A 72 -0.010 -3.770 -8.080 1.00 0.26 C ATOM 1057 C ARG A 72 -1.154 -4.556 -7.414 1.00 0.25 C ATOM 1058 O ARG A 72 -2.314 -4.151 -7.485 1.00 0.29 O ATOM 1059 CB ARG A 72 0.354 -4.393 -9.431 1.00 0.40 C ATOM 1060 CG ARG A 72 0.917 -5.802 -9.353 1.00 0.92 C ATOM 1061 CD ARG A 72 1.186 -6.357 -10.727 1.00 0.95 C ATOM 1062 NE ARG A 72 2.115 -5.513 -11.470 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.337 -5.860 -11.844 1.00 0.93 C ATOM 1064 NH1 ARG A 72 3.849 -7.035 -11.486 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.058 -5.011 -12.554 1.00 1.29 N ATOM 0 H ARG A 72 2.036 -3.970 -7.617 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.362 -2.755 -8.262 1.00 0.26 H new ATOM 0 HB2 ARG A 72 -0.536 -4.407 -10.060 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.084 -3.752 -9.926 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.840 -5.796 -8.773 1.00 0.92 H new ATOM 0 HG3 ARG A 72 0.214 -6.449 -8.828 1.00 0.92 H new ATOM 0 HD2 ARG A 72 1.596 -7.363 -10.641 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.249 -6.441 -11.277 1.00 0.95 H new ATOM 0 HE ARG A 72 1.797 -4.577 -11.723 1.00 0.67 H new ATOM 0 HH11 ARG A 72 3.299 -7.679 -10.918 1.00 1.48 H new ATOM 0 HH12 ARG A 72 4.791 -7.292 -11.780 1.00 1.48 H new ATOM 0 HH21 ARG A 72 3.672 -4.101 -12.807 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.001 -5.265 -12.849 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.799 -5.654 -6.742 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.757 -6.522 -6.069 1.00 0.28 C ATOM 1081 C GLU A 73 -2.429 -5.788 -4.928 1.00 0.26 C ATOM 1082 O GLU A 73 -3.652 -5.795 -4.801 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.044 -7.770 -5.548 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.535 -8.685 -6.642 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.659 -9.315 -7.417 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -2.101 -8.725 -8.421 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -2.098 -10.414 -7.069 1.00 1.24 O ATOM 0 H GLU A 73 0.169 -5.964 -6.651 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.525 -6.820 -6.783 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.205 -7.463 -4.924 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.729 -8.328 -4.910 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.101 -8.118 -7.322 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.085 -9.466 -6.202 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.616 -5.105 -4.146 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.081 -4.368 -2.986 1.00 0.28 C ATOM 1096 C LEU A 74 -2.974 -3.213 -3.442 1.00 0.26 C ATOM 1097 O LEU A 74 -4.089 -3.048 -2.947 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.833 -3.885 -2.167 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.038 -3.132 -0.820 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.457 -1.692 -1.022 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.032 -3.866 0.075 1.00 0.90 C ATOM 0 H LEU A 74 -0.609 -5.045 -4.298 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.685 -4.998 -2.333 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.220 -4.762 -1.959 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.248 -3.235 -2.818 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.070 -3.116 -0.319 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.587 -1.211 -0.052 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.689 -1.165 -1.588 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.398 -1.660 -1.571 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.155 -3.317 1.009 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -2.994 -3.939 -0.433 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.658 -4.867 0.289 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.487 -2.461 -4.412 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.197 -1.324 -4.968 1.00 0.23 C ATOM 1115 C LEU A 75 -4.565 -1.743 -5.501 1.00 0.24 C ATOM 1116 O LEU A 75 -5.589 -1.219 -5.068 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.363 -0.678 -6.088 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.952 0.573 -6.751 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -3.092 1.701 -5.744 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.090 1.009 -7.923 1.00 0.34 C ATOM 0 H LEU A 75 -1.576 -2.625 -4.841 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.352 -0.594 -4.174 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.387 -0.419 -5.679 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.195 -1.427 -6.862 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.945 0.326 -7.125 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.512 2.578 -6.236 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.753 1.387 -4.936 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -2.112 1.948 -5.336 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.523 1.898 -8.382 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.084 1.236 -7.570 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.044 0.207 -8.659 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.570 -2.735 -6.384 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.794 -3.176 -7.063 1.00 0.25 C ATOM 1134 C ASP A 76 -6.829 -3.730 -6.100 1.00 0.27 C ATOM 1135 O ASP A 76 -8.034 -3.439 -6.237 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.486 -4.200 -8.148 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.714 -4.624 -8.914 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.290 -3.803 -9.652 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.157 -5.783 -8.759 1.00 0.57 O ATOM 0 H ASP A 76 -3.735 -3.256 -6.652 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.222 -2.287 -7.527 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.757 -3.780 -8.841 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -5.025 -5.077 -7.694 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.369 -4.497 -5.118 1.00 0.30 N ATOM 1145 CA LEU A 77 -7.247 -5.083 -4.112 1.00 0.36 C ATOM 1146 C LEU A 77 -7.943 -3.956 -3.346 1.00 0.34 C ATOM 1147 O LEU A 77 -9.178 -3.943 -3.207 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.416 -6.006 -3.165 1.00 0.47 C ATOM 1149 CG LEU A 77 -7.164 -6.932 -2.154 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.828 -6.165 -1.013 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -8.179 -7.810 -2.876 1.00 1.96 C ATOM 0 H LEU A 77 -5.383 -4.729 -4.997 1.00 0.30 H new ATOM 0 HA LEU A 77 -8.013 -5.700 -4.582 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.791 -6.642 -3.792 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.745 -5.367 -2.590 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.404 -7.566 -1.697 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.330 -6.867 -0.347 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -7.070 -5.614 -0.456 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.558 -5.466 -1.421 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.689 -8.447 -2.153 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.910 -7.180 -3.383 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.666 -8.432 -3.609 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.162 -2.986 -2.903 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.701 -1.870 -2.163 1.00 0.34 C ATOM 1165 C ILE A 78 -8.594 -1.007 -3.059 1.00 0.31 C ATOM 1166 O ILE A 78 -9.613 -0.511 -2.613 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.588 -1.034 -1.474 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.791 -1.939 -0.531 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.187 0.139 -0.692 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.649 -1.253 0.169 1.00 0.55 C ATOM 0 H ILE A 78 -6.153 -2.953 -3.046 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.321 -2.272 -1.362 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.929 -0.626 -2.240 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.468 -2.348 0.219 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.399 -2.782 -1.100 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.386 0.708 -0.219 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.739 0.787 -1.373 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.863 -0.242 0.074 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -4.138 -1.966 0.817 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.947 -0.868 -0.571 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -5.033 -0.428 0.769 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.232 -0.882 -4.339 1.00 0.29 N ATOM 1183 CA ASN A 79 -9.064 -0.145 -5.317 1.00 0.31 C ATOM 1184 C ASN A 79 -10.456 -0.746 -5.376 1.00 0.32 C ATOM 1185 O ASN A 79 -11.448 -0.026 -5.365 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.474 -0.158 -6.750 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.169 0.607 -6.950 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.360 0.243 -7.806 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.961 1.670 -6.210 1.00 0.52 N ATOM 0 H ASN A 79 -7.375 -1.276 -4.728 1.00 0.29 H new ATOM 0 HA ASN A 79 -9.093 0.888 -4.970 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -8.311 -1.195 -7.044 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -9.219 0.253 -7.431 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -6.111 2.220 -6.335 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -7.649 1.946 -5.510 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.513 -2.072 -5.395 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.775 -2.774 -5.455 1.00 0.42 C ATOM 1198 C GLY A 80 -12.612 -2.536 -4.220 1.00 0.45 C ATOM 1199 O GLY A 80 -13.821 -2.349 -4.308 1.00 0.53 O ATOM 0 H GLY A 80 -9.693 -2.678 -5.369 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.329 -2.451 -6.336 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.591 -3.842 -5.568 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.965 -2.521 -3.075 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.648 -2.286 -1.812 1.00 0.52 C ATOM 1205 C ALA A 81 -13.115 -0.827 -1.701 1.00 0.51 C ATOM 1206 O ALA A 81 -14.244 -0.547 -1.274 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.739 -2.653 -0.648 1.00 0.59 C ATOM 0 H ALA A 81 -10.960 -2.669 -2.988 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.533 -2.921 -1.776 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.261 -2.473 0.292 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.468 -3.706 -0.716 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.837 -2.043 -0.685 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.251 0.091 -2.121 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.526 1.520 -2.086 1.00 0.56 C ATOM 1215 C LEU A 82 -13.646 1.903 -3.035 1.00 0.59 C ATOM 1216 O LEU A 82 -14.409 2.822 -2.755 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.263 2.321 -2.423 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.133 2.301 -1.394 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -8.976 3.166 -1.862 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -10.631 2.764 -0.034 1.00 1.10 C ATOM 0 H LEU A 82 -11.332 -0.140 -2.499 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.846 1.761 -1.072 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.867 1.948 -3.368 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.554 3.359 -2.587 1.00 0.63 H new ATOM 0 HG LEU A 82 -9.780 1.275 -1.293 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.179 3.141 -1.118 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.598 2.786 -2.811 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.319 4.192 -1.993 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -9.809 2.741 0.682 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.014 3.781 -0.114 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.427 2.102 0.307 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.764 1.176 -4.136 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.787 1.439 -5.147 1.00 0.67 C ATOM 1234 C ALA A 83 -16.192 1.306 -4.574 1.00 0.72 C ATOM 1235 O ALA A 83 -17.134 1.928 -5.059 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.617 0.503 -6.326 1.00 0.76 C ATOM 0 H ALA A 83 -13.156 0.387 -4.357 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.659 2.468 -5.483 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.386 0.711 -7.070 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.633 0.652 -6.770 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.710 -0.529 -5.988 1.00 0.76 H new ATOM 1242 N GLU A 84 -16.326 0.535 -3.512 1.00 0.77 N ATOM 1243 CA GLU A 84 -17.612 0.325 -2.887 1.00 0.95 C ATOM 1244 C GLU A 84 -17.995 1.480 -1.955 1.00 1.08 C ATOM 1245 O GLU A 84 -19.089 1.485 -1.380 1.00 1.35 O ATOM 1246 CB GLU A 84 -17.645 -1.004 -2.137 1.00 1.11 C ATOM 1247 CG GLU A 84 -17.444 -2.217 -3.028 1.00 1.33 C ATOM 1248 CD GLU A 84 -18.395 -2.232 -4.203 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -19.619 -2.152 -3.989 1.00 2.24 O ATOM 1250 OE2 GLU A 84 -17.938 -2.302 -5.367 1.00 2.44 O ATOM 0 H GLU A 84 -15.553 0.042 -3.064 1.00 0.77 H new ATOM 0 HA GLU A 84 -18.353 0.291 -3.686 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -16.871 -0.997 -1.370 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -18.602 -1.097 -1.624 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -16.418 -2.229 -3.395 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -17.583 -3.124 -2.440 1.00 1.33 H new ATOM 1257 N ALA A 85 -17.109 2.442 -1.800 1.00 1.14 N ATOM 1258 CA ALA A 85 -17.381 3.608 -0.974 1.00 1.38 C ATOM 1259 C ALA A 85 -17.047 4.883 -1.743 1.00 1.73 C ATOM 1260 O ALA A 85 -17.047 5.995 -1.198 1.00 2.12 O ATOM 1261 CB ALA A 85 -16.587 3.532 0.325 1.00 1.46 C ATOM 0 H ALA A 85 -16.187 2.442 -2.237 1.00 1.14 H new ATOM 0 HA ALA A 85 -18.441 3.626 -0.723 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -16.800 4.411 0.934 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -16.871 2.634 0.873 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -15.521 3.497 0.099 1.00 1.46 H new ATOM 1267 N ALA A 86 -16.779 4.724 -3.014 1.00 2.21 N ATOM 1268 CA ALA A 86 -16.433 5.833 -3.861 1.00 2.74 C ATOM 1269 C ALA A 86 -17.695 6.544 -4.284 1.00 3.28 C ATOM 1270 O ALA A 86 -17.911 7.691 -3.855 1.00 3.60 O ATOM 1271 CB ALA A 86 -15.635 5.366 -5.067 1.00 3.25 C ATOM 1272 OXT ALA A 86 -18.530 5.918 -4.968 1.00 3.84 O ATOM 0 H ALA A 86 -16.795 3.822 -3.489 1.00 2.21 H new ATOM 0 HA ALA A 86 -15.802 6.528 -3.307 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -15.385 6.223 -5.692 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -14.718 4.882 -4.731 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -16.229 4.657 -5.644 1.00 3.25 H new TER 1278 ALA A 86