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 -167:sc= -0.039 (180deg=-0.286) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0396) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 6 THR OG1 : rot -71:sc= 1.31 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 73:sc= -1.53! USER MOD Single : A 21 THR OG1 : rot 41:sc= 0.5 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 40 TYR OH : rot 179:sc= -0.418 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -115:sc= -2.04 (180deg=-4.36!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0858 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 47:sc= 0.199 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 79 ASN : amide:sc=-0.00258 X(o=-0.0026,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.348 9.000 -10.633 1.00 5.55 N ATOM 2 CA MET A 1 -13.649 8.628 -10.085 1.00 4.81 C ATOM 3 C MET A 1 -13.841 9.327 -8.760 1.00 4.08 C ATOM 4 O MET A 1 -14.748 10.133 -8.603 1.00 4.33 O ATOM 5 CB MET A 1 -13.763 7.103 -9.890 1.00 5.00 C ATOM 6 CG MET A 1 -13.529 6.292 -11.149 1.00 5.78 C ATOM 7 SD MET A 1 -14.633 6.753 -12.500 1.00 6.34 S ATOM 8 CE MET A 1 -16.225 6.302 -11.815 1.00 6.63 C ATOM 0 H1 MET A 1 -12.242 8.592 -11.584 1.00 5.55 H new ATOM 0 H2 MET A 1 -12.279 10.036 -10.692 1.00 5.55 H new ATOM 0 H3 MET A 1 -11.594 8.638 -10.015 1.00 5.55 H new ATOM 0 HA MET A 1 -14.423 8.933 -10.790 1.00 4.81 H new ATOM 0 HB2 MET A 1 -13.044 6.791 -9.132 1.00 5.00 H new ATOM 0 HB3 MET A 1 -14.755 6.872 -9.502 1.00 5.00 H new ATOM 0 HG2 MET A 1 -12.496 6.421 -11.471 1.00 5.78 H new ATOM 0 HG3 MET A 1 -13.662 5.234 -10.923 1.00 5.78 H new ATOM 0 HE1 MET A 1 -16.976 6.309 -12.605 1.00 6.63 H new ATOM 0 HE2 MET A 1 -16.165 5.304 -11.380 1.00 6.63 H new ATOM 0 HE3 MET A 1 -16.505 7.018 -11.042 1.00 6.63 H new ATOM 20 N ALA A 2 -12.957 9.052 -7.820 1.00 3.63 N ATOM 21 CA ALA A 2 -13.010 9.646 -6.499 1.00 3.34 C ATOM 22 C ALA A 2 -11.613 9.625 -5.937 1.00 2.29 C ATOM 23 O ALA A 2 -10.679 9.244 -6.649 1.00 2.60 O ATOM 24 CB ALA A 2 -13.961 8.852 -5.598 1.00 4.09 C ATOM 0 H ALA A 2 -12.178 8.407 -7.953 1.00 3.63 H new ATOM 0 HA ALA A 2 -13.383 10.669 -6.553 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -13.991 9.309 -4.609 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -14.961 8.857 -6.031 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -13.608 7.824 -5.512 1.00 4.09 H new ATOM 30 N THR A 3 -11.441 10.053 -4.716 1.00 1.66 N ATOM 31 CA THR A 3 -10.157 9.964 -4.068 1.00 1.24 C ATOM 32 C THR A 3 -9.863 8.526 -3.724 1.00 1.06 C ATOM 33 O THR A 3 -10.467 7.917 -2.835 1.00 1.81 O ATOM 34 CB THR A 3 -10.125 10.877 -2.837 1.00 2.06 C ATOM 35 OG1 THR A 3 -11.428 10.876 -2.204 1.00 2.62 O ATOM 36 CG2 THR A 3 -9.744 12.293 -3.228 1.00 2.77 C ATOM 0 H THR A 3 -12.177 10.469 -4.146 1.00 1.66 H new ATOM 0 HA THR A 3 -9.373 10.308 -4.743 1.00 1.24 H new ATOM 0 HB THR A 3 -9.377 10.500 -2.140 1.00 2.06 H new ATOM 0 HG1 THR A 3 -11.409 11.458 -1.416 1.00 2.62 H new ATOM 0 HG21 THR A 3 -9.727 12.924 -2.339 1.00 2.77 H new ATOM 0 HG22 THR A 3 -8.756 12.290 -3.689 1.00 2.77 H new ATOM 0 HG23 THR A 3 -10.474 12.684 -3.937 1.00 2.77 H new ATOM 44 N LEU A 4 -8.980 7.995 -4.474 1.00 0.89 N ATOM 45 CA LEU A 4 -8.616 6.643 -4.401 1.00 0.69 C ATOM 46 C LEU A 4 -7.107 6.586 -4.336 1.00 0.63 C ATOM 47 O LEU A 4 -6.439 7.588 -4.585 1.00 0.87 O ATOM 48 CB LEU A 4 -9.119 5.972 -5.671 1.00 0.83 C ATOM 49 CG LEU A 4 -8.933 4.496 -5.786 1.00 1.14 C ATOM 50 CD1 LEU A 4 -9.762 3.781 -4.743 1.00 1.27 C ATOM 51 CD2 LEU A 4 -9.280 4.022 -7.182 1.00 1.51 C ATOM 0 H LEU A 4 -8.470 8.516 -5.187 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.038 6.141 -3.530 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.184 6.186 -5.766 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.622 6.442 -6.520 1.00 0.83 H new ATOM 0 HG LEU A 4 -7.884 4.260 -5.606 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -9.617 2.705 -4.838 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -9.452 4.103 -3.749 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -10.815 4.020 -4.889 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -9.138 2.943 -7.246 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -10.320 4.265 -7.401 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.632 4.517 -7.906 1.00 1.51 H new ATOM 63 N LEU A 5 -6.572 5.461 -4.006 1.00 0.49 N ATOM 64 CA LEU A 5 -5.160 5.330 -3.934 1.00 0.44 C ATOM 65 C LEU A 5 -4.605 5.041 -5.301 1.00 0.39 C ATOM 66 O LEU A 5 -5.009 4.069 -5.944 1.00 0.42 O ATOM 67 CB LEU A 5 -4.798 4.187 -3.005 1.00 0.47 C ATOM 68 CG LEU A 5 -5.176 4.352 -1.546 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.846 3.091 -0.793 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.440 5.531 -0.940 1.00 0.79 C ATOM 0 H LEU A 5 -7.095 4.615 -3.781 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.738 6.261 -3.555 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.273 3.280 -3.379 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.721 4.030 -3.062 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.247 4.542 -1.476 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.118 3.211 0.256 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.403 2.257 -1.219 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.777 2.891 -0.870 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -4.722 5.636 0.108 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.365 5.365 -1.012 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.703 6.441 -1.480 1.00 0.79 H new ATOM 82 N THR A 6 -3.720 5.879 -5.742 1.00 0.38 N ATOM 83 CA THR A 6 -2.995 5.644 -6.947 1.00 0.40 C ATOM 84 C THR A 6 -1.607 5.156 -6.551 1.00 0.34 C ATOM 85 O THR A 6 -1.353 4.949 -5.352 1.00 0.30 O ATOM 86 CB THR A 6 -2.877 6.936 -7.786 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.199 7.947 -7.011 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.252 7.450 -8.187 1.00 0.63 C ATOM 0 H THR A 6 -3.480 6.751 -5.271 1.00 0.38 H new ATOM 0 HA THR A 6 -3.515 4.905 -7.557 1.00 0.40 H new ATOM 0 HB THR A 6 -2.312 6.712 -8.691 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.788 8.258 -6.292 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.142 8.360 -8.777 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.765 6.693 -8.780 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.835 7.666 -7.292 1.00 0.63 H new ATOM 96 N THR A 7 -0.717 4.991 -7.509 1.00 0.37 N ATOM 97 CA THR A 7 0.669 4.652 -7.224 1.00 0.37 C ATOM 98 C THR A 7 1.272 5.748 -6.320 1.00 0.35 C ATOM 99 O THR A 7 1.972 5.465 -5.340 1.00 0.34 O ATOM 100 CB THR A 7 1.471 4.559 -8.538 1.00 0.48 C ATOM 101 OG1 THR A 7 0.786 3.674 -9.444 1.00 0.61 O ATOM 102 CG2 THR A 7 2.877 4.026 -8.288 1.00 0.56 C ATOM 0 H THR A 7 -0.929 5.087 -8.502 1.00 0.37 H new ATOM 0 HA THR A 7 0.715 3.687 -6.719 1.00 0.37 H new ATOM 0 HB THR A 7 1.552 5.558 -8.966 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.289 3.611 -10.283 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.419 3.971 -9.232 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.403 4.694 -7.606 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.816 3.031 -7.847 1.00 0.56 H new ATOM 110 N ASP A 8 0.964 6.989 -6.671 1.00 0.43 N ATOM 111 CA ASP A 8 1.424 8.174 -5.962 1.00 0.50 C ATOM 112 C ASP A 8 0.929 8.172 -4.516 1.00 0.44 C ATOM 113 O ASP A 8 1.705 8.388 -3.578 1.00 0.46 O ATOM 114 CB ASP A 8 0.924 9.428 -6.685 1.00 0.67 C ATOM 115 CG ASP A 8 1.494 10.702 -6.121 1.00 1.08 C ATOM 116 OD1 ASP A 8 0.970 11.218 -5.119 1.00 1.65 O ATOM 117 OD2 ASP A 8 2.474 11.222 -6.689 1.00 1.26 O ATOM 0 H ASP A 8 0.374 7.204 -7.475 1.00 0.43 H new ATOM 0 HA ASP A 8 2.514 8.170 -5.947 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.182 9.358 -7.742 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -0.164 9.466 -6.624 1.00 0.67 H new ATOM 122 N ASP A 9 -0.358 7.890 -4.339 1.00 0.42 N ATOM 123 CA ASP A 9 -0.964 7.856 -2.992 1.00 0.42 C ATOM 124 C ASP A 9 -0.391 6.718 -2.174 1.00 0.40 C ATOM 125 O ASP A 9 -0.138 6.861 -0.977 1.00 0.45 O ATOM 126 CB ASP A 9 -2.494 7.684 -3.031 1.00 0.46 C ATOM 127 CG ASP A 9 -3.247 8.821 -3.671 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.614 9.771 -2.955 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.459 8.801 -4.913 1.00 1.41 O ATOM 0 H ASP A 9 -1.006 7.682 -5.099 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.729 8.819 -2.537 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.728 6.765 -3.569 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.856 7.557 -2.011 1.00 0.46 H new ATOM 134 N LEU A 10 -0.174 5.590 -2.830 1.00 0.37 N ATOM 135 CA LEU A 10 0.327 4.395 -2.175 1.00 0.36 C ATOM 136 C LEU A 10 1.754 4.630 -1.677 1.00 0.36 C ATOM 137 O LEU A 10 2.113 4.227 -0.570 1.00 0.41 O ATOM 138 CB LEU A 10 0.286 3.209 -3.142 1.00 0.35 C ATOM 139 CG LEU A 10 0.445 1.837 -2.512 1.00 0.37 C ATOM 140 CD1 LEU A 10 -0.719 1.573 -1.569 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.525 0.764 -3.584 1.00 0.37 C ATOM 0 H LEU A 10 -0.340 5.478 -3.830 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.308 4.167 -1.319 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.663 3.234 -3.678 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.074 3.341 -3.883 1.00 0.35 H new ATOM 0 HG LEU A 10 1.374 1.810 -1.943 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.605 0.588 -1.117 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -0.733 2.332 -0.787 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -1.655 1.610 -2.127 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.639 -0.213 -3.113 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.388 0.776 -4.179 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.382 0.958 -4.230 1.00 0.37 H new ATOM 153 N ARG A 11 2.544 5.291 -2.511 1.00 0.36 N ATOM 154 CA ARG A 11 3.914 5.697 -2.189 1.00 0.38 C ATOM 155 C ARG A 11 3.922 6.483 -0.879 1.00 0.39 C ATOM 156 O ARG A 11 4.635 6.147 0.073 1.00 0.41 O ATOM 157 CB ARG A 11 4.421 6.601 -3.304 1.00 0.42 C ATOM 158 CG ARG A 11 5.856 7.076 -3.171 1.00 0.52 C ATOM 159 CD ARG A 11 6.148 8.146 -4.207 1.00 0.71 C ATOM 160 NE ARG A 11 5.789 7.706 -5.567 1.00 1.21 N ATOM 161 CZ ARG A 11 4.950 8.384 -6.377 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.508 9.583 -6.016 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.598 7.876 -7.552 1.00 2.46 N ATOM 0 H ARG A 11 2.250 5.567 -3.448 1.00 0.36 H new ATOM 0 HA ARG A 11 4.547 4.816 -2.088 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.321 6.069 -4.250 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.773 7.476 -3.359 1.00 0.42 H new ATOM 0 HG2 ARG A 11 6.025 7.472 -2.170 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.539 6.236 -3.301 1.00 0.52 H new ATOM 0 HD2 ARG A 11 5.594 9.051 -3.960 1.00 0.71 H new ATOM 0 HD3 ARG A 11 7.207 8.402 -4.176 1.00 0.71 H new ATOM 0 HE ARG A 11 6.198 6.839 -5.916 1.00 1.21 H new ATOM 0 HH11 ARG A 11 4.803 9.989 -5.128 1.00 1.92 H new ATOM 0 HH12 ARG A 11 3.874 10.098 -6.627 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.962 6.970 -7.845 1.00 2.46 H new ATOM 0 HH22 ARG A 11 3.963 8.392 -8.161 1.00 2.46 H new ATOM 177 N ARG A 12 3.105 7.525 -0.859 1.00 0.42 N ATOM 178 CA ARG A 12 2.954 8.406 0.285 1.00 0.47 C ATOM 179 C ARG A 12 2.499 7.635 1.529 1.00 0.43 C ATOM 180 O ARG A 12 2.983 7.881 2.636 1.00 0.48 O ATOM 181 CB ARG A 12 1.970 9.521 -0.061 1.00 0.60 C ATOM 182 CG ARG A 12 1.734 10.521 1.052 1.00 1.18 C ATOM 183 CD ARG A 12 0.815 11.634 0.599 1.00 1.47 C ATOM 184 NE ARG A 12 1.389 12.390 -0.522 1.00 2.25 N ATOM 185 CZ ARG A 12 1.702 13.686 -0.492 1.00 2.83 C ATOM 186 NH1 ARG A 12 1.386 14.437 0.561 1.00 2.60 N ATOM 187 NH2 ARG A 12 2.309 14.219 -1.535 1.00 3.93 N ATOM 0 H ARG A 12 2.519 7.785 -1.652 1.00 0.42 H new ATOM 0 HA ARG A 12 3.923 8.845 0.520 1.00 0.47 H new ATOM 0 HB2 ARG A 12 2.338 10.053 -0.938 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.016 9.073 -0.337 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.299 10.015 1.914 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.686 10.941 1.376 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.146 11.214 0.301 1.00 1.47 H new ATOM 0 HD3 ARG A 12 0.623 12.309 1.433 1.00 1.47 H new ATOM 0 HE ARG A 12 1.562 11.884 -1.391 1.00 2.25 H new ATOM 0 HH11 ARG A 12 0.900 14.022 1.356 1.00 2.60 H new ATOM 0 HH12 ARG A 12 1.630 15.427 0.573 1.00 2.60 H new ATOM 0 HH21 ARG A 12 2.531 13.642 -2.346 1.00 3.93 H new ATOM 0 HH22 ARG A 12 2.556 15.209 -1.530 1.00 3.93 H new ATOM 201 N ALA A 13 1.609 6.675 1.326 1.00 0.40 N ATOM 202 CA ALA A 13 1.059 5.874 2.405 1.00 0.42 C ATOM 203 C ALA A 13 2.142 5.077 3.117 1.00 0.41 C ATOM 204 O ALA A 13 2.107 4.938 4.341 1.00 0.50 O ATOM 205 CB ALA A 13 -0.017 4.948 1.880 1.00 0.45 C ATOM 0 H ALA A 13 1.248 6.430 0.404 1.00 0.40 H new ATOM 0 HA ALA A 13 0.616 6.556 3.131 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.419 4.355 2.701 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.817 5.537 1.432 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.409 4.284 1.128 1.00 0.45 H new ATOM 211 N LEU A 14 3.119 4.589 2.360 1.00 0.38 N ATOM 212 CA LEU A 14 4.236 3.840 2.934 1.00 0.46 C ATOM 213 C LEU A 14 5.040 4.736 3.860 1.00 0.54 C ATOM 214 O LEU A 14 5.371 4.357 4.994 1.00 0.69 O ATOM 215 CB LEU A 14 5.151 3.295 1.833 1.00 0.48 C ATOM 216 CG LEU A 14 4.558 2.246 0.899 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.563 1.887 -0.163 1.00 1.21 C ATOM 218 CD2 LEU A 14 4.174 1.000 1.669 1.00 1.44 C ATOM 0 H LEU A 14 3.162 4.698 1.347 1.00 0.38 H new ATOM 0 HA LEU A 14 3.828 3.001 3.498 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.490 4.135 1.227 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.034 2.867 2.307 1.00 0.48 H new ATOM 0 HG LEU A 14 3.663 2.662 0.436 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.136 1.137 -0.829 1.00 1.21 H new ATOM 0 HD12 LEU A 14 5.820 2.778 -0.737 1.00 1.21 H new ATOM 0 HD13 LEU A 14 6.461 1.486 0.307 1.00 1.21 H new ATOM 0 HD21 LEU A 14 3.753 0.264 0.984 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.058 0.583 2.151 1.00 1.44 H new ATOM 0 HD23 LEU A 14 3.434 1.255 2.428 1.00 1.44 H new ATOM 230 N VAL A 15 5.297 5.944 3.396 1.00 0.53 N ATOM 231 CA VAL A 15 6.058 6.929 4.150 1.00 0.63 C ATOM 232 C VAL A 15 5.299 7.271 5.438 1.00 0.66 C ATOM 233 O VAL A 15 5.849 7.184 6.533 1.00 0.80 O ATOM 234 CB VAL A 15 6.274 8.222 3.318 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.221 9.166 4.037 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.801 7.900 1.927 1.00 0.71 C ATOM 0 H VAL A 15 4.984 6.274 2.483 1.00 0.53 H new ATOM 0 HA VAL A 15 7.035 6.508 4.388 1.00 0.63 H new ATOM 0 HB VAL A 15 5.307 8.714 3.207 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.361 10.067 3.439 1.00 0.76 H new ATOM 0 HG12 VAL A 15 6.800 9.435 5.006 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.183 8.675 4.183 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.942 8.825 1.368 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.754 7.378 2.011 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.085 7.266 1.404 1.00 0.71 H new ATOM 246 N GLU A 16 4.018 7.596 5.287 1.00 0.62 N ATOM 247 CA GLU A 16 3.135 7.961 6.405 1.00 0.71 C ATOM 248 C GLU A 16 2.999 6.853 7.451 1.00 0.74 C ATOM 249 O GLU A 16 2.680 7.121 8.611 1.00 0.89 O ATOM 250 CB GLU A 16 1.739 8.306 5.887 1.00 0.79 C ATOM 251 CG GLU A 16 1.656 9.597 5.116 1.00 0.87 C ATOM 252 CD GLU A 16 1.994 10.786 5.970 1.00 1.20 C ATOM 253 OE1 GLU A 16 1.327 11.010 6.989 1.00 1.38 O ATOM 254 OE2 GLU A 16 2.931 11.533 5.627 1.00 2.05 O ATOM 0 H GLU A 16 3.554 7.615 4.379 1.00 0.62 H new ATOM 0 HA GLU A 16 3.599 8.823 6.884 1.00 0.71 H new ATOM 0 HB2 GLU A 16 1.392 7.494 5.248 1.00 0.79 H new ATOM 0 HB3 GLU A 16 1.055 8.360 6.734 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.337 9.556 4.266 1.00 0.87 H new ATOM 0 HG3 GLU A 16 0.650 9.714 4.713 1.00 0.87 H new ATOM 261 N SER A 17 3.207 5.632 7.054 1.00 0.68 N ATOM 262 CA SER A 17 3.059 4.521 7.962 1.00 0.77 C ATOM 263 C SER A 17 4.368 4.193 8.670 1.00 0.89 C ATOM 264 O SER A 17 4.369 3.725 9.813 1.00 1.15 O ATOM 265 CB SER A 17 2.514 3.343 7.211 1.00 0.73 C ATOM 266 OG SER A 17 1.299 3.711 6.574 1.00 1.39 O ATOM 0 H SER A 17 3.481 5.375 6.106 1.00 0.68 H new ATOM 0 HA SER A 17 2.354 4.793 8.747 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.238 3.004 6.470 1.00 0.73 H new ATOM 0 HB3 SER A 17 2.342 2.511 7.893 1.00 0.73 H new ATOM 0 HG SER A 17 1.493 4.297 5.813 1.00 1.39 H new ATOM 272 N ALA A 18 5.478 4.452 8.007 1.00 0.82 N ATOM 273 CA ALA A 18 6.773 4.264 8.632 1.00 1.03 C ATOM 274 C ALA A 18 7.036 5.435 9.571 1.00 1.22 C ATOM 275 O ALA A 18 7.657 5.296 10.624 1.00 1.58 O ATOM 276 CB ALA A 18 7.868 4.174 7.571 1.00 1.03 C ATOM 0 H ALA A 18 5.510 4.790 7.045 1.00 0.82 H new ATOM 0 HA ALA A 18 6.777 3.332 9.198 1.00 1.03 H new ATOM 0 HB1 ALA A 18 8.834 4.033 8.056 1.00 1.03 H new ATOM 0 HB2 ALA A 18 7.667 3.330 6.911 1.00 1.03 H new ATOM 0 HB3 ALA A 18 7.886 5.095 6.988 1.00 1.03 H new ATOM 282 N GLY A 19 6.513 6.569 9.186 1.00 1.23 N ATOM 283 CA GLY A 19 6.687 7.789 9.910 1.00 1.56 C ATOM 284 C GLY A 19 7.444 8.723 9.046 1.00 1.74 C ATOM 285 O GLY A 19 6.937 9.755 8.614 1.00 2.32 O ATOM 0 H GLY A 19 5.945 6.667 8.345 1.00 1.23 H new ATOM 0 HA2 GLY A 19 5.720 8.215 10.179 1.00 1.56 H new ATOM 0 HA3 GLY A 19 7.225 7.608 10.840 1.00 1.56 H new ATOM 289 N GLU A 20 8.642 8.330 8.755 1.00 2.01 N ATOM 290 CA GLU A 20 9.491 9.004 7.842 1.00 2.53 C ATOM 291 C GLU A 20 10.503 7.990 7.370 1.00 2.51 C ATOM 292 O GLU A 20 10.844 7.065 8.118 1.00 3.17 O ATOM 293 CB GLU A 20 10.166 10.223 8.491 1.00 3.47 C ATOM 294 CG GLU A 20 10.969 11.061 7.512 1.00 4.03 C ATOM 295 CD GLU A 20 10.151 11.443 6.302 1.00 4.59 C ATOM 296 OE1 GLU A 20 9.457 12.486 6.334 1.00 5.17 O ATOM 297 OE2 GLU A 20 10.162 10.696 5.312 1.00 4.85 O ATOM 0 H GLU A 20 9.067 7.498 9.165 1.00 2.01 H new ATOM 0 HA GLU A 20 8.921 9.400 7.001 1.00 2.53 H new ATOM 0 HB2 GLU A 20 9.402 10.849 8.952 1.00 3.47 H new ATOM 0 HB3 GLU A 20 10.824 9.882 9.290 1.00 3.47 H new ATOM 0 HG2 GLU A 20 11.324 11.963 8.011 1.00 4.03 H new ATOM 0 HG3 GLU A 20 11.851 10.504 7.194 1.00 4.03 H new ATOM 304 N THR A 21 10.947 8.120 6.166 1.00 2.53 N ATOM 305 CA THR A 21 11.847 7.174 5.601 1.00 3.19 C ATOM 306 C THR A 21 12.655 7.840 4.487 1.00 3.12 C ATOM 307 O THR A 21 12.746 9.080 4.422 1.00 3.48 O ATOM 308 CB THR A 21 11.071 5.881 5.100 1.00 4.10 C ATOM 309 OG1 THR A 21 11.969 4.884 4.566 1.00 4.58 O ATOM 310 CG2 THR A 21 10.011 6.230 4.049 1.00 4.86 C ATOM 0 H THR A 21 10.695 8.888 5.544 1.00 2.53 H new ATOM 0 HA THR A 21 12.547 6.835 6.365 1.00 3.19 H new ATOM 0 HB THR A 21 10.575 5.465 5.977 1.00 4.10 H new ATOM 0 HG1 THR A 21 12.770 4.831 5.128 1.00 4.58 H new ATOM 0 HG21 THR A 21 9.501 5.321 3.730 1.00 4.86 H new ATOM 0 HG22 THR A 21 9.286 6.921 4.479 1.00 4.86 H new ATOM 0 HG23 THR A 21 10.491 6.697 3.189 1.00 4.86 H new ATOM 318 N ASP A 22 13.235 7.047 3.644 1.00 3.06 N ATOM 319 CA ASP A 22 13.991 7.532 2.530 1.00 3.18 C ATOM 320 C ASP A 22 13.107 7.547 1.307 1.00 2.90 C ATOM 321 O ASP A 22 12.938 8.581 0.655 1.00 3.34 O ATOM 322 CB ASP A 22 15.221 6.660 2.281 1.00 3.66 C ATOM 323 CG ASP A 22 16.007 7.121 1.080 1.00 4.04 C ATOM 324 OD1 ASP A 22 16.750 8.089 1.182 1.00 4.28 O ATOM 325 OD2 ASP A 22 15.908 6.492 0.002 1.00 4.50 O ATOM 0 H ASP A 22 13.197 6.030 3.709 1.00 3.06 H new ATOM 0 HA ASP A 22 14.338 8.542 2.749 1.00 3.18 H new ATOM 0 HB2 ASP A 22 15.862 6.678 3.162 1.00 3.66 H new ATOM 0 HB3 ASP A 22 14.909 5.626 2.135 1.00 3.66 H new ATOM 330 N GLY A 23 12.501 6.416 1.031 1.00 2.71 N ATOM 331 CA GLY A 23 11.658 6.296 -0.120 1.00 2.74 C ATOM 332 C GLY A 23 12.496 5.959 -1.321 1.00 2.39 C ATOM 333 O GLY A 23 12.319 6.535 -2.391 1.00 2.77 O ATOM 0 H GLY A 23 12.581 5.568 1.593 1.00 2.71 H new ATOM 0 HA2 GLY A 23 10.909 5.521 0.043 1.00 2.74 H new ATOM 0 HA3 GLY A 23 11.120 7.229 -0.289 1.00 2.74 H new ATOM 337 N THR A 24 13.405 5.030 -1.110 1.00 2.07 N ATOM 338 CA THR A 24 14.385 4.578 -2.084 1.00 1.91 C ATOM 339 C THR A 24 13.754 4.167 -3.441 1.00 1.88 C ATOM 340 O THR A 24 13.254 3.056 -3.606 1.00 2.57 O ATOM 341 CB THR A 24 15.247 3.428 -1.462 1.00 2.18 C ATOM 342 OG1 THR A 24 16.195 2.911 -2.410 1.00 2.87 O ATOM 343 CG2 THR A 24 14.384 2.295 -0.892 1.00 2.46 C ATOM 0 H THR A 24 13.487 4.546 -0.216 1.00 2.07 H new ATOM 0 HA THR A 24 15.034 5.421 -2.320 1.00 1.91 H new ATOM 0 HB THR A 24 15.797 3.869 -0.631 1.00 2.18 H new ATOM 0 HG1 THR A 24 16.719 2.196 -1.992 1.00 2.87 H new ATOM 0 HG21 THR A 24 15.028 1.522 -0.473 1.00 2.46 H new ATOM 0 HG22 THR A 24 13.735 2.690 -0.110 1.00 2.46 H new ATOM 0 HG23 THR A 24 13.774 1.866 -1.688 1.00 2.46 H new ATOM 351 N ASP A 25 13.705 5.143 -4.371 1.00 1.70 N ATOM 352 CA ASP A 25 13.161 4.966 -5.730 1.00 1.79 C ATOM 353 C ASP A 25 11.697 4.639 -5.678 1.00 1.40 C ATOM 354 O ASP A 25 11.129 4.066 -6.606 1.00 1.51 O ATOM 355 CB ASP A 25 13.933 3.915 -6.547 1.00 2.34 C ATOM 356 CG ASP A 25 15.330 4.354 -6.892 1.00 2.77 C ATOM 357 OD1 ASP A 25 15.495 5.205 -7.792 1.00 3.23 O ATOM 358 OD2 ASP A 25 16.299 3.859 -6.276 1.00 3.17 O ATOM 0 H ASP A 25 14.047 6.088 -4.195 1.00 1.70 H new ATOM 0 HA ASP A 25 13.289 5.917 -6.248 1.00 1.79 H new ATOM 0 HB2 ASP A 25 13.979 2.984 -5.982 1.00 2.34 H new ATOM 0 HB3 ASP A 25 13.387 3.703 -7.466 1.00 2.34 H new ATOM 363 N LEU A 26 11.073 5.069 -4.605 1.00 1.16 N ATOM 364 CA LEU A 26 9.666 4.837 -4.384 1.00 0.93 C ATOM 365 C LEU A 26 8.877 5.807 -5.260 1.00 0.82 C ATOM 366 O LEU A 26 7.708 5.565 -5.623 1.00 0.80 O ATOM 367 CB LEU A 26 9.354 5.081 -2.910 1.00 0.99 C ATOM 368 CG LEU A 26 8.205 4.287 -2.319 1.00 0.82 C ATOM 369 CD1 LEU A 26 8.564 2.805 -2.305 1.00 0.95 C ATOM 370 CD2 LEU A 26 7.895 4.780 -0.914 1.00 1.03 C ATOM 0 H LEU A 26 11.530 5.592 -3.858 1.00 1.16 H new ATOM 0 HA LEU A 26 9.394 3.813 -4.640 1.00 0.93 H new ATOM 0 HB2 LEU A 26 10.252 4.864 -2.331 1.00 0.99 H new ATOM 0 HB3 LEU A 26 9.139 6.141 -2.778 1.00 0.99 H new ATOM 0 HG LEU A 26 7.315 4.427 -2.932 1.00 0.82 H new ATOM 0 HD11 LEU A 26 7.738 2.235 -1.880 1.00 0.95 H new ATOM 0 HD12 LEU A 26 8.753 2.467 -3.324 1.00 0.95 H new ATOM 0 HD13 LEU A 26 9.458 2.653 -1.701 1.00 0.95 H new ATOM 0 HD21 LEU A 26 7.068 4.203 -0.500 1.00 1.03 H new ATOM 0 HD22 LEU A 26 8.775 4.658 -0.283 1.00 1.03 H new ATOM 0 HD23 LEU A 26 7.619 5.834 -0.951 1.00 1.03 H new ATOM 382 N SER A 27 9.524 6.912 -5.572 1.00 0.90 N ATOM 383 CA SER A 27 8.992 7.922 -6.435 1.00 0.92 C ATOM 384 C SER A 27 8.893 7.350 -7.853 1.00 0.91 C ATOM 385 O SER A 27 9.820 6.678 -8.328 1.00 1.08 O ATOM 386 CB SER A 27 9.932 9.114 -6.407 1.00 1.15 C ATOM 387 OG SER A 27 10.257 9.469 -5.059 1.00 1.46 O ATOM 0 H SER A 27 10.456 7.128 -5.219 1.00 0.90 H new ATOM 0 HA SER A 27 8.000 8.237 -6.110 1.00 0.92 H new ATOM 0 HB2 SER A 27 10.843 8.878 -6.956 1.00 1.15 H new ATOM 0 HB3 SER A 27 9.467 9.962 -6.910 1.00 1.15 H new ATOM 0 HG SER A 27 10.865 10.238 -5.061 1.00 1.46 H new ATOM 393 N GLY A 28 7.791 7.595 -8.508 1.00 0.93 N ATOM 394 CA GLY A 28 7.588 7.047 -9.819 1.00 0.99 C ATOM 395 C GLY A 28 6.675 5.854 -9.760 1.00 0.85 C ATOM 396 O GLY A 28 5.639 5.897 -9.081 1.00 1.02 O ATOM 0 H GLY A 28 7.024 8.168 -8.157 1.00 0.93 H new ATOM 0 HA2 GLY A 28 7.161 7.806 -10.474 1.00 0.99 H new ATOM 0 HA3 GLY A 28 8.546 6.757 -10.250 1.00 0.99 H new ATOM 400 N ASP A 29 7.057 4.783 -10.392 1.00 0.70 N ATOM 401 CA ASP A 29 6.220 3.603 -10.442 1.00 0.64 C ATOM 402 C ASP A 29 6.960 2.458 -9.821 1.00 0.55 C ATOM 403 O ASP A 29 7.896 1.915 -10.405 1.00 0.74 O ATOM 404 CB ASP A 29 5.829 3.256 -11.881 1.00 0.80 C ATOM 405 CG ASP A 29 4.835 2.113 -11.968 1.00 1.29 C ATOM 406 OD1 ASP A 29 5.265 0.962 -11.967 1.00 2.07 O ATOM 407 OD2 ASP A 29 3.602 2.353 -12.017 1.00 1.68 O ATOM 0 H ASP A 29 7.946 4.695 -10.885 1.00 0.70 H new ATOM 0 HA ASP A 29 5.301 3.801 -9.890 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.402 4.138 -12.358 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.726 2.993 -12.442 1.00 0.80 H new ATOM 412 N PHE A 30 6.579 2.100 -8.633 1.00 0.39 N ATOM 413 CA PHE A 30 7.263 1.034 -7.942 1.00 0.34 C ATOM 414 C PHE A 30 6.381 -0.215 -7.864 1.00 0.31 C ATOM 415 O PHE A 30 6.689 -1.154 -7.151 1.00 0.31 O ATOM 416 CB PHE A 30 7.722 1.493 -6.533 1.00 0.35 C ATOM 417 CG PHE A 30 6.612 1.725 -5.532 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.792 2.842 -5.607 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.407 0.819 -4.507 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.787 3.040 -4.682 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.408 1.007 -3.582 1.00 0.38 C ATOM 422 CZ PHE A 30 4.593 2.123 -3.668 1.00 0.42 C ATOM 0 H PHE A 30 5.805 2.522 -8.120 1.00 0.39 H new ATOM 0 HA PHE A 30 8.156 0.775 -8.511 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.402 0.743 -6.129 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.292 2.416 -6.638 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.942 3.563 -6.397 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.043 -0.051 -4.432 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.153 3.911 -4.751 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.259 0.287 -2.791 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.807 2.276 -2.943 1.00 0.42 H new ATOM 432 N LEU A 31 5.292 -0.212 -8.639 1.00 0.31 N ATOM 433 CA LEU A 31 4.294 -1.296 -8.648 1.00 0.31 C ATOM 434 C LEU A 31 4.850 -2.717 -8.836 1.00 0.31 C ATOM 435 O LEU A 31 4.236 -3.672 -8.361 1.00 0.35 O ATOM 436 CB LEU A 31 3.157 -1.035 -9.635 1.00 0.33 C ATOM 437 CG LEU A 31 2.259 0.169 -9.336 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.122 0.217 -10.317 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.705 0.095 -7.928 1.00 0.32 C ATOM 0 H LEU A 31 5.073 0.547 -9.284 1.00 0.31 H new ATOM 0 HA LEU A 31 3.901 -1.272 -7.632 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.589 -0.901 -10.627 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.531 -1.926 -9.678 1.00 0.33 H new ATOM 0 HG LEU A 31 2.862 1.072 -9.427 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.488 1.076 -10.097 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.518 0.307 -11.329 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.534 -0.697 -10.238 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.071 0.961 -7.741 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.117 -0.816 -7.816 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.528 0.086 -7.213 1.00 0.32 H new ATOM 451 N ASP A 32 5.977 -2.866 -9.522 1.00 0.31 N ATOM 452 CA ASP A 32 6.532 -4.213 -9.748 1.00 0.37 C ATOM 453 C ASP A 32 7.619 -4.556 -8.716 1.00 0.37 C ATOM 454 O ASP A 32 8.103 -5.691 -8.641 1.00 0.45 O ATOM 455 CB ASP A 32 7.074 -4.353 -11.185 1.00 0.48 C ATOM 456 CG ASP A 32 7.474 -5.783 -11.545 1.00 1.29 C ATOM 457 OD1 ASP A 32 6.569 -6.631 -11.811 1.00 2.04 O ATOM 458 OD2 ASP A 32 8.684 -6.087 -11.600 1.00 1.83 O ATOM 0 H ASP A 32 6.518 -2.101 -9.925 1.00 0.31 H new ATOM 0 HA ASP A 32 5.719 -4.928 -9.620 1.00 0.37 H new ATOM 0 HB2 ASP A 32 6.315 -4.008 -11.887 1.00 0.48 H new ATOM 0 HB3 ASP A 32 7.939 -3.700 -11.305 1.00 0.48 H new ATOM 463 N LEU A 33 7.985 -3.591 -7.904 1.00 0.35 N ATOM 464 CA LEU A 33 9.006 -3.805 -6.888 1.00 0.37 C ATOM 465 C LEU A 33 8.411 -4.508 -5.695 1.00 0.34 C ATOM 466 O LEU A 33 7.387 -4.108 -5.181 1.00 0.40 O ATOM 467 CB LEU A 33 9.709 -2.500 -6.456 1.00 0.41 C ATOM 468 CG LEU A 33 10.742 -1.889 -7.428 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.115 -1.462 -8.741 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.452 -0.717 -6.771 1.00 1.27 C ATOM 0 H LEU A 33 7.595 -2.649 -7.922 1.00 0.35 H new ATOM 0 HA LEU A 33 9.774 -4.435 -7.336 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.940 -1.751 -6.268 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.211 -2.687 -5.507 1.00 0.41 H new ATOM 0 HG LEU A 33 11.470 -2.667 -7.660 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.882 -1.039 -9.390 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.665 -2.327 -9.228 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.347 -0.712 -8.551 1.00 1.37 H new ATOM 0 HD21 LEU A 33 12.178 -0.295 -7.466 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.722 0.046 -6.501 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.967 -1.060 -5.873 1.00 1.27 H new ATOM 482 N ARG A 34 9.049 -5.558 -5.273 1.00 0.33 N ATOM 483 CA ARG A 34 8.565 -6.347 -4.172 1.00 0.34 C ATOM 484 C ARG A 34 8.857 -5.634 -2.877 1.00 0.29 C ATOM 485 O ARG A 34 9.951 -5.085 -2.704 1.00 0.34 O ATOM 486 CB ARG A 34 9.200 -7.755 -4.155 1.00 0.47 C ATOM 487 CG ARG A 34 8.823 -8.681 -5.326 1.00 0.61 C ATOM 488 CD ARG A 34 9.327 -8.178 -6.675 1.00 1.10 C ATOM 489 NE ARG A 34 10.784 -7.959 -6.679 1.00 1.91 N ATOM 490 CZ ARG A 34 11.435 -7.102 -7.476 1.00 3.03 C ATOM 491 NH1 ARG A 34 10.764 -6.309 -8.312 1.00 3.63 N ATOM 492 NH2 ARG A 34 12.748 -7.039 -7.436 1.00 3.94 N ATOM 0 H ARG A 34 9.921 -5.895 -5.680 1.00 0.33 H new ATOM 0 HA ARG A 34 7.489 -6.473 -4.292 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.284 -7.643 -4.142 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.919 -8.247 -3.224 1.00 0.47 H new ATOM 0 HG2 ARG A 34 9.230 -9.675 -5.141 1.00 0.61 H new ATOM 0 HG3 ARG A 34 7.739 -8.783 -5.366 1.00 0.61 H new ATOM 0 HD2 ARG A 34 9.068 -8.900 -7.450 1.00 1.10 H new ATOM 0 HD3 ARG A 34 8.821 -7.246 -6.925 1.00 1.10 H new ATOM 0 HE ARG A 34 11.342 -8.504 -6.022 1.00 1.91 H new ATOM 0 HH11 ARG A 34 9.746 -6.352 -8.349 1.00 3.63 H new ATOM 0 HH12 ARG A 34 11.269 -5.660 -8.915 1.00 3.63 H new ATOM 0 HH21 ARG A 34 13.268 -7.642 -6.799 1.00 3.94 H new ATOM 0 HH22 ARG A 34 13.246 -6.387 -8.042 1.00 3.94 H new ATOM 506 N PHE A 35 7.896 -5.646 -1.978 1.00 0.25 N ATOM 507 CA PHE A 35 8.017 -4.968 -0.694 1.00 0.24 C ATOM 508 C PHE A 35 9.213 -5.504 0.072 1.00 0.27 C ATOM 509 O PHE A 35 10.056 -4.726 0.533 1.00 0.29 O ATOM 510 CB PHE A 35 6.759 -5.143 0.161 1.00 0.26 C ATOM 511 CG PHE A 35 5.485 -4.725 -0.486 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.188 -3.395 -0.612 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.593 -5.662 -0.984 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.031 -2.986 -1.217 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.423 -5.254 -1.594 1.00 0.32 C ATOM 516 CZ PHE A 35 3.100 -3.994 -1.663 1.00 0.35 C ATOM 0 H PHE A 35 7.006 -6.125 -2.112 1.00 0.25 H new ATOM 0 HA PHE A 35 8.150 -3.906 -0.901 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.676 -6.192 0.445 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.884 -4.573 1.082 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.877 -2.657 -0.228 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.814 -6.715 -0.895 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.820 -1.936 -1.357 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.763 -5.994 -2.022 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.136 -3.704 -2.054 1.00 0.35 H new ATOM 526 N GLU A 36 9.304 -6.834 0.173 1.00 0.37 N ATOM 527 CA GLU A 36 10.404 -7.495 0.886 1.00 0.47 C ATOM 528 C GLU A 36 11.768 -7.097 0.316 1.00 0.46 C ATOM 529 O GLU A 36 12.760 -7.068 1.028 1.00 0.51 O ATOM 530 CB GLU A 36 10.262 -9.021 0.853 1.00 0.64 C ATOM 531 CG GLU A 36 9.010 -9.580 1.522 1.00 1.56 C ATOM 532 CD GLU A 36 8.904 -9.278 3.012 1.00 2.12 C ATOM 533 OE1 GLU A 36 9.916 -9.415 3.731 1.00 2.79 O ATOM 534 OE2 GLU A 36 7.814 -8.878 3.484 1.00 2.45 O ATOM 0 H GLU A 36 8.625 -7.478 -0.232 1.00 0.37 H new ATOM 0 HA GLU A 36 10.346 -7.159 1.921 1.00 0.47 H new ATOM 0 HB2 GLU A 36 10.273 -9.347 -0.187 1.00 0.64 H new ATOM 0 HB3 GLU A 36 11.136 -9.460 1.334 1.00 0.64 H new ATOM 0 HG2 GLU A 36 8.132 -9.175 1.018 1.00 1.56 H new ATOM 0 HG3 GLU A 36 8.989 -10.661 1.380 1.00 1.56 H new ATOM 541 N ASP A 37 11.796 -6.742 -0.958 1.00 0.44 N ATOM 542 CA ASP A 37 13.042 -6.414 -1.631 1.00 0.50 C ATOM 543 C ASP A 37 13.443 -4.980 -1.329 1.00 0.48 C ATOM 544 O ASP A 37 14.620 -4.676 -1.187 1.00 0.60 O ATOM 545 CB ASP A 37 12.911 -6.619 -3.144 1.00 0.57 C ATOM 546 CG ASP A 37 14.236 -6.492 -3.876 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.988 -7.486 -3.935 1.00 0.74 O ATOM 548 OD2 ASP A 37 14.541 -5.418 -4.428 1.00 0.88 O ATOM 0 H ASP A 37 10.967 -6.673 -1.549 1.00 0.44 H new ATOM 0 HA ASP A 37 13.818 -7.082 -1.259 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.489 -7.605 -3.336 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.209 -5.888 -3.545 1.00 0.57 H new ATOM 553 N ILE A 38 12.454 -4.112 -1.147 1.00 0.40 N ATOM 554 CA ILE A 38 12.719 -2.695 -0.874 1.00 0.42 C ATOM 555 C ILE A 38 12.751 -2.390 0.628 1.00 0.42 C ATOM 556 O ILE A 38 12.585 -1.250 1.044 1.00 0.50 O ATOM 557 CB ILE A 38 11.725 -1.728 -1.590 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.263 -2.035 -1.205 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.923 -1.775 -3.099 1.00 0.56 C ATOM 560 CD1 ILE A 38 9.235 -1.111 -1.833 1.00 0.60 C ATOM 0 H ILE A 38 11.465 -4.358 -1.182 1.00 0.40 H new ATOM 0 HA ILE A 38 13.710 -2.512 -1.290 1.00 0.42 H new ATOM 0 HB ILE A 38 11.941 -0.714 -1.253 1.00 0.47 H new ATOM 0 HG12 ILE A 38 10.033 -3.061 -1.493 1.00 0.47 H new ATOM 0 HG13 ILE A 38 10.168 -1.979 -0.121 1.00 0.47 H new ATOM 0 HG21 ILE A 38 11.221 -1.094 -3.580 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.943 -1.475 -3.342 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.748 -2.789 -3.458 1.00 0.56 H new ATOM 0 HD11 ILE A 38 8.237 -1.402 -1.506 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.433 -0.084 -1.526 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.297 -1.183 -2.919 1.00 0.60 H new ATOM 572 N GLY A 39 13.019 -3.414 1.423 1.00 0.42 N ATOM 573 CA GLY A 39 13.176 -3.231 2.858 1.00 0.50 C ATOM 574 C GLY A 39 11.866 -3.096 3.605 1.00 0.47 C ATOM 575 O GLY A 39 11.846 -2.666 4.768 1.00 0.66 O ATOM 0 H GLY A 39 13.132 -4.375 1.102 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.729 -4.078 3.264 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.779 -2.341 3.037 1.00 0.50 H new ATOM 579 N TYR A 40 10.786 -3.452 2.961 1.00 0.36 N ATOM 580 CA TYR A 40 9.487 -3.402 3.572 1.00 0.36 C ATOM 581 C TYR A 40 9.026 -4.767 3.968 1.00 0.42 C ATOM 582 O TYR A 40 9.060 -5.693 3.180 1.00 0.59 O ATOM 583 CB TYR A 40 8.457 -2.723 2.670 1.00 0.36 C ATOM 584 CG TYR A 40 8.281 -1.259 2.959 1.00 0.49 C ATOM 585 CD1 TYR A 40 9.225 -0.318 2.570 1.00 0.70 C ATOM 586 CD2 TYR A 40 7.163 -0.823 3.648 1.00 0.64 C ATOM 587 CE1 TYR A 40 9.053 1.022 2.862 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.979 0.502 3.948 1.00 0.90 C ATOM 589 CZ TYR A 40 7.926 1.431 3.551 1.00 1.04 C ATOM 590 OH TYR A 40 7.754 2.766 3.853 1.00 1.33 O ATOM 0 H TYR A 40 10.784 -3.785 1.997 1.00 0.36 H new ATOM 0 HA TYR A 40 9.581 -2.797 4.474 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.759 -2.846 1.630 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.497 -3.226 2.785 1.00 0.36 H new ATOM 0 HD1 TYR A 40 10.105 -0.637 2.032 1.00 0.70 H new ATOM 0 HD2 TYR A 40 6.419 -1.542 3.956 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.794 1.745 2.554 1.00 0.95 H new ATOM 0 HE2 TYR A 40 6.101 0.819 4.491 1.00 0.90 H new ATOM 0 HH TYR A 40 6.903 2.888 4.324 1.00 1.33 H new ATOM 600 N ASP A 41 8.675 -4.914 5.203 1.00 0.42 N ATOM 601 CA ASP A 41 8.136 -6.172 5.682 1.00 0.51 C ATOM 602 C ASP A 41 6.669 -6.162 5.460 1.00 0.44 C ATOM 603 O ASP A 41 6.029 -5.130 5.674 1.00 0.38 O ATOM 604 CB ASP A 41 8.352 -6.373 7.179 1.00 0.67 C ATOM 605 CG ASP A 41 9.796 -6.450 7.606 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.438 -5.394 7.802 1.00 0.99 O ATOM 607 OD2 ASP A 41 10.308 -7.577 7.789 1.00 1.06 O ATOM 0 H ASP A 41 8.747 -4.184 5.911 1.00 0.42 H new ATOM 0 HA ASP A 41 8.647 -6.970 5.143 1.00 0.51 H new ATOM 0 HB2 ASP A 41 7.873 -5.553 7.714 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.848 -7.290 7.484 1.00 0.67 H new ATOM 612 N SER A 42 6.138 -7.260 5.022 1.00 0.51 N ATOM 613 CA SER A 42 4.705 -7.446 4.891 1.00 0.48 C ATOM 614 C SER A 42 3.941 -7.088 6.197 1.00 0.41 C ATOM 615 O SER A 42 2.821 -6.577 6.158 1.00 0.37 O ATOM 616 CB SER A 42 4.441 -8.864 4.445 1.00 0.59 C ATOM 617 OG SER A 42 5.062 -9.808 5.315 1.00 1.03 O ATOM 0 H SER A 42 6.686 -8.072 4.738 1.00 0.51 H new ATOM 0 HA SER A 42 4.324 -6.757 4.138 1.00 0.48 H new ATOM 0 HB2 SER A 42 3.366 -9.044 4.418 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.813 -9.003 3.430 1.00 0.59 H new ATOM 0 HG SER A 42 4.872 -10.717 5.001 1.00 1.03 H new ATOM 623 N LEU A 43 4.577 -7.334 7.343 1.00 0.45 N ATOM 624 CA LEU A 43 4.003 -6.994 8.631 1.00 0.46 C ATOM 625 C LEU A 43 3.891 -5.473 8.746 1.00 0.41 C ATOM 626 O LEU A 43 2.831 -4.947 9.077 1.00 0.41 O ATOM 627 CB LEU A 43 4.871 -7.606 9.762 1.00 0.59 C ATOM 628 CG LEU A 43 4.350 -7.527 11.220 1.00 0.75 C ATOM 629 CD1 LEU A 43 5.115 -8.508 12.069 1.00 1.56 C ATOM 630 CD2 LEU A 43 4.520 -6.131 11.820 1.00 1.24 C ATOM 0 H LEU A 43 5.497 -7.771 7.398 1.00 0.45 H new ATOM 0 HA LEU A 43 3.000 -7.410 8.726 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.032 -8.657 9.524 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.846 -7.119 9.732 1.00 0.59 H new ATOM 0 HG LEU A 43 3.286 -7.762 11.203 1.00 0.75 H new ATOM 0 HD11 LEU A 43 4.754 -8.459 13.096 1.00 1.56 H new ATOM 0 HD12 LEU A 43 4.969 -9.516 11.681 1.00 1.56 H new ATOM 0 HD13 LEU A 43 6.176 -8.260 12.045 1.00 1.56 H new ATOM 0 HD21 LEU A 43 4.141 -6.126 12.842 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.576 -5.863 11.824 1.00 1.24 H new ATOM 0 HD23 LEU A 43 3.964 -5.408 11.223 1.00 1.24 H new ATOM 642 N ALA A 44 4.979 -4.776 8.427 1.00 0.39 N ATOM 643 CA ALA A 44 5.011 -3.316 8.461 1.00 0.39 C ATOM 644 C ALA A 44 4.024 -2.750 7.445 1.00 0.34 C ATOM 645 O ALA A 44 3.406 -1.714 7.662 1.00 0.40 O ATOM 646 CB ALA A 44 6.415 -2.809 8.176 1.00 0.43 C ATOM 0 H ALA A 44 5.859 -5.204 8.139 1.00 0.39 H new ATOM 0 HA ALA A 44 4.721 -2.981 9.457 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.421 -1.719 8.205 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.101 -3.196 8.929 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.731 -3.147 7.189 1.00 0.43 H new ATOM 652 N LEU A 45 3.889 -3.459 6.348 1.00 0.29 N ATOM 653 CA LEU A 45 2.961 -3.134 5.286 1.00 0.28 C ATOM 654 C LEU A 45 1.506 -3.199 5.780 1.00 0.25 C ATOM 655 O LEU A 45 0.655 -2.432 5.326 1.00 0.26 O ATOM 656 CB LEU A 45 3.185 -4.096 4.126 1.00 0.30 C ATOM 657 CG LEU A 45 2.238 -4.009 2.939 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.327 -2.664 2.250 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.562 -5.108 1.973 1.00 0.38 C ATOM 0 H LEU A 45 4.435 -4.300 6.163 1.00 0.29 H new ATOM 0 HA LEU A 45 3.141 -2.112 4.952 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.199 -3.945 3.757 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.137 -5.112 4.519 1.00 0.30 H new ATOM 0 HG LEU A 45 1.216 -4.120 3.302 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.636 -2.640 1.407 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.066 -1.876 2.956 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.344 -2.506 1.890 1.00 0.43 H new ATOM 0 HD21 LEU A 45 1.887 -5.052 1.119 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.591 -4.999 1.630 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.444 -6.073 2.466 1.00 0.38 H new ATOM 671 N MET A 46 1.217 -4.106 6.705 1.00 0.24 N ATOM 672 CA MET A 46 -0.128 -4.182 7.272 1.00 0.23 C ATOM 673 C MET A 46 -0.463 -2.910 8.041 1.00 0.25 C ATOM 674 O MET A 46 -1.590 -2.475 8.035 1.00 0.27 O ATOM 675 CB MET A 46 -0.369 -5.438 8.117 1.00 0.27 C ATOM 676 CG MET A 46 -0.231 -6.740 7.332 1.00 0.34 C ATOM 677 SD MET A 46 -0.610 -8.219 8.306 1.00 0.50 S ATOM 678 CE MET A 46 0.639 -8.114 9.587 1.00 1.49 C ATOM 0 H MET A 46 1.880 -4.788 7.074 1.00 0.24 H new ATOM 0 HA MET A 46 -0.814 -4.267 6.429 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.337 -5.448 8.947 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.368 -5.388 8.549 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.894 -6.705 6.467 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.787 -6.818 6.950 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.325 -8.956 9.496 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.193 -7.182 9.479 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.160 -8.140 10.566 1.00 1.49 H new ATOM 688 N GLU A 47 0.551 -2.309 8.677 1.00 0.29 N ATOM 689 CA GLU A 47 0.411 -1.004 9.365 1.00 0.34 C ATOM 690 C GLU A 47 0.102 0.095 8.329 1.00 0.32 C ATOM 691 O GLU A 47 -0.652 1.030 8.587 1.00 0.36 O ATOM 692 CB GLU A 47 1.714 -0.671 10.120 1.00 0.45 C ATOM 693 CG GLU A 47 1.756 0.694 10.816 1.00 0.58 C ATOM 694 CD GLU A 47 0.781 0.831 11.963 1.00 1.03 C ATOM 695 OE1 GLU A 47 1.107 0.384 13.079 1.00 1.25 O ATOM 696 OE2 GLU A 47 -0.301 1.420 11.784 1.00 1.88 O ATOM 0 H GLU A 47 1.489 -2.705 8.733 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.408 -1.057 10.082 1.00 0.34 H new ATOM 0 HB2 GLU A 47 1.884 -1.444 10.869 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.543 -0.723 9.414 1.00 0.45 H new ATOM 0 HG2 GLU A 47 2.765 0.869 11.188 1.00 0.58 H new ATOM 0 HG3 GLU A 47 1.548 1.471 10.081 1.00 0.58 H new ATOM 703 N THR A 48 0.671 -0.068 7.156 1.00 0.30 N ATOM 704 CA THR A 48 0.497 0.850 6.050 1.00 0.33 C ATOM 705 C THR A 48 -0.944 0.782 5.616 1.00 0.29 C ATOM 706 O THR A 48 -1.676 1.788 5.609 1.00 0.33 O ATOM 707 CB THR A 48 1.394 0.434 4.869 1.00 0.36 C ATOM 708 OG1 THR A 48 2.763 0.308 5.304 1.00 0.42 O ATOM 709 CG2 THR A 48 1.301 1.452 3.742 1.00 0.45 C ATOM 0 H THR A 48 1.280 -0.857 6.939 1.00 0.30 H new ATOM 0 HA THR A 48 0.767 1.860 6.359 1.00 0.33 H new ATOM 0 HB THR A 48 1.048 -0.531 4.498 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.324 0.042 4.546 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.942 1.141 2.917 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.270 1.518 3.396 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.625 2.427 4.105 1.00 0.45 H new ATOM 717 N ALA A 49 -1.344 -0.432 5.266 1.00 0.25 N ATOM 718 CA ALA A 49 -2.688 -0.742 4.879 1.00 0.24 C ATOM 719 C ALA A 49 -3.648 -0.312 5.979 1.00 0.22 C ATOM 720 O ALA A 49 -4.726 0.175 5.699 1.00 0.23 O ATOM 721 CB ALA A 49 -2.804 -2.234 4.606 1.00 0.27 C ATOM 0 H ALA A 49 -0.719 -1.238 5.247 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.947 -0.202 3.968 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.826 -2.472 4.311 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.121 -2.511 3.803 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.548 -2.790 5.508 1.00 0.27 H new ATOM 727 N ALA A 50 -3.211 -0.464 7.227 1.00 0.23 N ATOM 728 CA ALA A 50 -3.981 -0.072 8.386 1.00 0.26 C ATOM 729 C ALA A 50 -4.343 1.404 8.365 1.00 0.28 C ATOM 730 O ALA A 50 -5.488 1.778 8.656 1.00 0.30 O ATOM 731 CB ALA A 50 -3.274 -0.424 9.671 1.00 0.33 C ATOM 0 H ALA A 50 -2.302 -0.868 7.455 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.910 -0.640 8.342 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.884 -0.113 10.519 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.113 -1.501 9.715 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.312 0.088 9.709 1.00 0.33 H new ATOM 737 N ARG A 51 -3.370 2.253 8.021 1.00 0.31 N ATOM 738 CA ARG A 51 -3.616 3.691 7.937 1.00 0.37 C ATOM 739 C ARG A 51 -4.578 3.985 6.810 1.00 0.36 C ATOM 740 O ARG A 51 -5.390 4.905 6.885 1.00 0.40 O ATOM 741 CB ARG A 51 -2.336 4.516 7.744 1.00 0.45 C ATOM 742 CG ARG A 51 -1.290 4.337 8.824 1.00 0.54 C ATOM 743 CD ARG A 51 -0.482 5.607 9.002 1.00 0.70 C ATOM 744 NE ARG A 51 -1.326 6.704 9.528 1.00 1.59 N ATOM 745 CZ ARG A 51 -0.993 8.008 9.560 1.00 1.76 C ATOM 746 NH1 ARG A 51 0.215 8.402 9.171 1.00 1.27 N ATOM 747 NH2 ARG A 51 -1.856 8.915 10.016 1.00 2.84 N ATOM 0 H ARG A 51 -2.415 1.971 7.799 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.045 3.987 8.894 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.893 4.253 6.783 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.606 5.571 7.692 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.773 4.072 9.765 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.627 3.512 8.563 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.347 5.422 9.685 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.048 5.903 8.047 1.00 0.70 H new ATOM 0 HE ARG A 51 -2.241 6.449 9.899 1.00 1.59 H new ATOM 0 HH11 ARG A 51 0.895 7.715 8.846 1.00 1.27 H new ATOM 0 HH12 ARG A 51 0.462 9.391 9.197 1.00 1.27 H new ATOM 0 HH21 ARG A 51 -2.777 8.623 10.344 1.00 2.84 H new ATOM 0 HH22 ARG A 51 -1.596 9.901 10.037 1.00 2.84 H new ATOM 761 N LEU A 52 -4.478 3.206 5.765 1.00 0.32 N ATOM 762 CA LEU A 52 -5.344 3.318 4.624 1.00 0.34 C ATOM 763 C LEU A 52 -6.773 2.963 5.018 1.00 0.33 C ATOM 764 O LEU A 52 -7.715 3.676 4.671 1.00 0.37 O ATOM 765 CB LEU A 52 -4.809 2.435 3.501 1.00 0.35 C ATOM 766 CG LEU A 52 -3.419 2.835 3.002 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.891 1.838 1.992 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.459 4.234 2.406 1.00 0.69 C ATOM 0 H LEU A 52 -3.782 2.465 5.683 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.362 4.345 4.259 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.775 1.403 3.849 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.507 2.467 2.664 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.738 2.835 3.853 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.902 2.149 1.656 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.824 0.853 2.454 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.567 1.793 1.138 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.464 4.508 2.054 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.158 4.253 1.570 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.783 4.944 3.166 1.00 0.69 H new ATOM 780 N GLU A 53 -6.916 1.877 5.772 1.00 0.29 N ATOM 781 CA GLU A 53 -8.204 1.458 6.331 1.00 0.32 C ATOM 782 C GLU A 53 -8.776 2.564 7.197 1.00 0.35 C ATOM 783 O GLU A 53 -9.953 2.895 7.108 1.00 0.42 O ATOM 784 CB GLU A 53 -8.042 0.205 7.182 1.00 0.32 C ATOM 785 CG GLU A 53 -7.494 -0.985 6.442 1.00 0.34 C ATOM 786 CD GLU A 53 -7.338 -2.182 7.331 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.325 -2.270 8.034 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.219 -3.062 7.329 1.00 0.48 O ATOM 0 H GLU A 53 -6.142 1.259 6.015 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.878 1.244 5.502 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.382 0.432 8.019 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -9.011 -0.060 7.604 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -8.158 -1.233 5.614 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.527 -0.728 6.009 1.00 0.34 H new ATOM 795 N SER A 54 -7.908 3.130 7.999 1.00 0.35 N ATOM 796 CA SER A 54 -8.225 4.184 8.924 1.00 0.41 C ATOM 797 C SER A 54 -8.747 5.437 8.174 1.00 0.45 C ATOM 798 O SER A 54 -9.883 5.862 8.383 1.00 0.55 O ATOM 799 CB SER A 54 -6.945 4.495 9.731 1.00 0.47 C ATOM 800 OG SER A 54 -7.151 5.405 10.797 1.00 1.19 O ATOM 0 H SER A 54 -6.925 2.857 8.024 1.00 0.35 H new ATOM 0 HA SER A 54 -9.022 3.875 9.600 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.544 3.564 10.132 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.191 4.903 9.057 1.00 0.47 H new ATOM 0 HG SER A 54 -6.304 5.556 11.266 1.00 1.19 H new ATOM 806 N ARG A 55 -7.929 5.983 7.292 1.00 0.44 N ATOM 807 CA ARG A 55 -8.264 7.198 6.543 1.00 0.54 C ATOM 808 C ARG A 55 -9.433 7.018 5.561 1.00 0.56 C ATOM 809 O ARG A 55 -10.301 7.875 5.467 1.00 0.68 O ATOM 810 CB ARG A 55 -7.014 7.740 5.822 1.00 0.63 C ATOM 811 CG ARG A 55 -7.272 8.869 4.827 1.00 0.83 C ATOM 812 CD ARG A 55 -5.981 9.367 4.180 1.00 1.08 C ATOM 813 NE ARG A 55 -5.203 10.269 5.049 1.00 1.65 N ATOM 814 CZ ARG A 55 -3.861 10.403 5.022 1.00 2.21 C ATOM 815 NH1 ARG A 55 -3.102 9.440 4.523 1.00 2.35 N ATOM 816 NH2 ARG A 55 -3.284 11.457 5.590 1.00 3.07 N ATOM 0 H ARG A 55 -7.010 5.601 7.069 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.607 7.929 7.275 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.307 8.094 6.572 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.533 6.916 5.295 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.955 8.521 4.052 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -7.765 9.697 5.337 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.363 8.510 3.912 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -6.224 9.887 3.253 1.00 1.08 H new ATOM 0 HE ARG A 55 -5.719 10.835 5.722 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.531 8.591 4.156 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -2.088 9.547 4.505 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -3.856 12.167 6.048 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -2.269 11.556 5.568 1.00 3.07 H new ATOM 830 N TYR A 56 -9.469 5.913 4.854 1.00 0.50 N ATOM 831 CA TYR A 56 -10.458 5.755 3.796 1.00 0.57 C ATOM 832 C TYR A 56 -11.716 5.019 4.231 1.00 0.61 C ATOM 833 O TYR A 56 -12.756 5.123 3.565 1.00 0.74 O ATOM 834 CB TYR A 56 -9.835 5.107 2.553 1.00 0.62 C ATOM 835 CG TYR A 56 -8.828 5.995 1.853 1.00 0.67 C ATOM 836 CD1 TYR A 56 -7.503 6.015 2.259 1.00 0.74 C ATOM 837 CD2 TYR A 56 -9.194 6.793 0.777 1.00 0.75 C ATOM 838 CE1 TYR A 56 -6.570 6.805 1.621 1.00 0.85 C ATOM 839 CE2 TYR A 56 -8.267 7.581 0.128 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.008 7.667 0.585 1.00 0.91 C ATOM 841 OH TYR A 56 -6.022 8.360 -0.100 1.00 1.01 O ATOM 0 H TYR A 56 -8.841 5.120 4.982 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.784 6.763 3.541 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.348 4.176 2.843 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.628 4.847 1.852 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -7.195 5.400 3.091 1.00 0.74 H new ATOM 0 HD2 TYR A 56 -10.221 6.796 0.443 1.00 0.75 H new ATOM 0 HE1 TYR A 56 -5.529 6.768 1.905 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -8.556 8.133 -0.754 1.00 0.85 H new ATOM 0 HH TYR A 56 -6.435 8.920 -0.790 1.00 1.01 H new ATOM 851 N GLY A 57 -11.649 4.310 5.331 1.00 0.58 N ATOM 852 CA GLY A 57 -12.803 3.573 5.786 1.00 0.66 C ATOM 853 C GLY A 57 -12.985 2.313 4.983 1.00 0.71 C ATOM 854 O GLY A 57 -13.954 2.163 4.228 1.00 0.93 O ATOM 0 H GLY A 57 -10.821 4.227 5.921 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.688 3.324 6.841 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.694 4.195 5.701 1.00 0.66 H new ATOM 858 N VAL A 58 -12.048 1.426 5.123 1.00 0.60 N ATOM 859 CA VAL A 58 -12.055 0.192 4.392 1.00 0.65 C ATOM 860 C VAL A 58 -11.574 -0.922 5.337 1.00 0.60 C ATOM 861 O VAL A 58 -11.188 -0.622 6.469 1.00 0.70 O ATOM 862 CB VAL A 58 -11.178 0.311 3.085 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.697 0.469 3.370 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.436 -0.799 2.094 1.00 1.16 C ATOM 0 H VAL A 58 -11.252 1.537 5.751 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.061 -0.052 4.051 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.506 1.237 2.613 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.152 0.545 2.429 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.534 1.372 3.958 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.339 -0.397 3.928 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -10.802 -0.659 1.218 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.209 -1.760 2.556 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.483 -0.780 1.791 1.00 1.16 H new ATOM 874 N SER A 59 -11.574 -2.153 4.898 1.00 0.62 N ATOM 875 CA SER A 59 -11.164 -3.251 5.737 1.00 0.67 C ATOM 876 C SER A 59 -10.359 -4.257 4.923 1.00 0.59 C ATOM 877 O SER A 59 -10.902 -5.016 4.110 1.00 0.72 O ATOM 878 CB SER A 59 -12.406 -3.895 6.371 1.00 0.92 C ATOM 879 OG SER A 59 -13.390 -4.193 5.378 1.00 1.87 O ATOM 0 H SER A 59 -11.856 -2.423 3.956 1.00 0.62 H new ATOM 0 HA SER A 59 -10.520 -2.889 6.539 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.121 -4.809 6.892 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.829 -3.222 7.117 1.00 0.92 H new ATOM 0 HG SER A 59 -12.964 -4.645 4.620 1.00 1.87 H new ATOM 885 N ILE A 60 -9.085 -4.256 5.132 1.00 0.48 N ATOM 886 CA ILE A 60 -8.186 -5.068 4.364 1.00 0.45 C ATOM 887 C ILE A 60 -7.888 -6.350 5.120 1.00 0.51 C ATOM 888 O ILE A 60 -7.456 -6.307 6.272 1.00 0.57 O ATOM 889 CB ILE A 60 -6.875 -4.297 4.084 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.202 -2.980 3.370 1.00 0.40 C ATOM 891 CG2 ILE A 60 -5.914 -5.144 3.238 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.023 -2.061 3.207 1.00 0.41 C ATOM 0 H ILE A 60 -8.629 -3.688 5.846 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.653 -5.314 3.410 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.382 -4.080 5.032 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.613 -3.205 2.386 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.980 -2.460 3.929 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.999 -4.581 3.054 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.673 -6.063 3.772 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.387 -5.390 2.287 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.338 -1.153 2.693 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.624 -1.803 4.188 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.251 -2.560 2.621 1.00 0.41 H new ATOM 904 N PRO A 61 -8.168 -7.508 4.506 1.00 0.58 N ATOM 905 CA PRO A 61 -7.899 -8.808 5.113 1.00 0.66 C ATOM 906 C PRO A 61 -6.410 -8.987 5.421 1.00 0.56 C ATOM 907 O PRO A 61 -5.559 -8.784 4.545 1.00 0.44 O ATOM 908 CB PRO A 61 -8.346 -9.807 4.039 1.00 0.78 C ATOM 909 CG PRO A 61 -9.283 -9.047 3.177 1.00 0.87 C ATOM 910 CD PRO A 61 -8.783 -7.640 3.172 1.00 0.66 C ATOM 0 HA PRO A 61 -8.415 -8.935 6.064 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.496 -10.179 3.467 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.834 -10.674 4.484 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.305 -9.457 2.167 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.300 -9.099 3.565 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.060 -7.470 2.374 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.592 -6.924 3.027 1.00 0.66 H new ATOM 918 N ASP A 62 -6.120 -9.363 6.662 1.00 0.67 N ATOM 919 CA ASP A 62 -4.743 -9.567 7.187 1.00 0.67 C ATOM 920 C ASP A 62 -3.951 -10.508 6.309 1.00 0.54 C ATOM 921 O ASP A 62 -2.752 -10.312 6.072 1.00 0.52 O ATOM 922 CB ASP A 62 -4.769 -10.189 8.588 1.00 0.90 C ATOM 923 CG ASP A 62 -5.440 -9.355 9.640 1.00 1.18 C ATOM 924 OD1 ASP A 62 -6.691 -9.339 9.699 1.00 1.29 O ATOM 925 OD2 ASP A 62 -4.740 -8.727 10.453 1.00 1.83 O ATOM 0 H ASP A 62 -6.842 -9.543 7.360 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.280 -8.581 7.209 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.275 -11.153 8.532 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.744 -10.386 8.901 1.00 0.90 H new ATOM 930 N ASP A 63 -4.637 -11.515 5.808 1.00 0.56 N ATOM 931 CA ASP A 63 -4.021 -12.540 4.992 1.00 0.55 C ATOM 932 C ASP A 63 -3.573 -11.970 3.687 1.00 0.44 C ATOM 933 O ASP A 63 -2.494 -12.252 3.246 1.00 0.46 O ATOM 934 CB ASP A 63 -4.976 -13.710 4.746 1.00 0.75 C ATOM 935 CG ASP A 63 -5.212 -14.557 5.969 1.00 1.54 C ATOM 936 OD1 ASP A 63 -6.037 -14.180 6.834 1.00 2.34 O ATOM 937 OD2 ASP A 63 -4.572 -15.619 6.100 1.00 1.84 O ATOM 0 H ASP A 63 -5.638 -11.645 5.955 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.155 -12.916 5.537 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.931 -13.322 4.392 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -4.573 -14.337 3.951 1.00 0.75 H new ATOM 942 N VAL A 64 -4.387 -11.117 3.112 1.00 0.41 N ATOM 943 CA VAL A 64 -4.066 -10.501 1.835 1.00 0.40 C ATOM 944 C VAL A 64 -2.993 -9.433 2.047 1.00 0.34 C ATOM 945 O VAL A 64 -2.006 -9.377 1.318 1.00 0.41 O ATOM 946 CB VAL A 64 -5.326 -9.858 1.193 1.00 0.52 C ATOM 947 CG1 VAL A 64 -4.991 -9.244 -0.158 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.436 -10.890 1.040 1.00 0.66 C ATOM 0 H VAL A 64 -5.283 -10.829 3.506 1.00 0.41 H new ATOM 0 HA VAL A 64 -3.697 -11.272 1.159 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.675 -9.066 1.856 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -5.889 -8.800 -0.588 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.231 -8.473 -0.029 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -4.613 -10.018 -0.826 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.310 -10.420 0.589 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.091 -11.703 0.402 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -6.702 -11.286 2.020 1.00 0.66 H new ATOM 958 N ALA A 65 -3.186 -8.625 3.084 1.00 0.33 N ATOM 959 CA ALA A 65 -2.287 -7.523 3.430 1.00 0.39 C ATOM 960 C ALA A 65 -0.846 -7.999 3.609 1.00 0.41 C ATOM 961 O ALA A 65 0.096 -7.317 3.226 1.00 0.51 O ATOM 962 CB ALA A 65 -2.775 -6.841 4.703 1.00 0.46 C ATOM 0 H ALA A 65 -3.980 -8.716 3.718 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.297 -6.811 2.604 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.103 -6.021 4.957 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.780 -6.450 4.544 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.791 -7.563 5.519 1.00 0.46 H new ATOM 968 N GLY A 66 -0.690 -9.177 4.168 1.00 0.40 N ATOM 969 CA GLY A 66 0.625 -9.708 4.382 1.00 0.48 C ATOM 970 C GLY A 66 0.993 -10.782 3.382 1.00 0.48 C ATOM 971 O GLY A 66 1.849 -11.620 3.665 1.00 0.61 O ATOM 0 H GLY A 66 -1.454 -9.777 4.479 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.353 -8.899 4.323 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.686 -10.120 5.389 1.00 0.48 H new ATOM 975 N ARG A 67 0.342 -10.783 2.227 1.00 0.43 N ATOM 976 CA ARG A 67 0.641 -11.775 1.198 1.00 0.48 C ATOM 977 C ARG A 67 0.743 -11.096 -0.180 1.00 0.36 C ATOM 978 O ARG A 67 0.885 -11.749 -1.219 1.00 0.40 O ATOM 979 CB ARG A 67 -0.430 -12.866 1.199 1.00 0.64 C ATOM 980 CG ARG A 67 -0.093 -14.120 0.413 1.00 1.16 C ATOM 981 CD ARG A 67 -1.226 -15.119 0.497 1.00 1.45 C ATOM 982 NE ARG A 67 -1.509 -15.538 1.882 1.00 2.16 N ATOM 983 CZ ARG A 67 -2.737 -15.662 2.404 1.00 3.05 C ATOM 984 NH1 ARG A 67 -3.799 -15.229 1.728 1.00 3.43 N ATOM 985 NH2 ARG A 67 -2.900 -16.189 3.619 1.00 3.98 N ATOM 0 H ARG A 67 -0.389 -10.117 1.978 1.00 0.43 H new ATOM 0 HA ARG A 67 1.602 -12.241 1.415 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -0.632 -13.150 2.232 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.352 -12.445 0.798 1.00 0.64 H new ATOM 0 HG2 ARG A 67 0.096 -13.863 -0.629 1.00 1.16 H new ATOM 0 HG3 ARG A 67 0.822 -14.566 0.803 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -2.125 -14.681 0.063 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -0.978 -15.996 -0.101 1.00 1.45 H new ATOM 0 HE ARG A 67 -0.714 -15.748 2.485 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -3.679 -14.801 0.810 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -4.732 -15.325 2.128 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -2.088 -16.499 4.154 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -3.836 -16.282 4.013 1.00 3.98 H new ATOM 999 N VAL A 68 0.648 -9.787 -0.194 1.00 0.33 N ATOM 1000 CA VAL A 68 0.842 -9.046 -1.413 1.00 0.34 C ATOM 1001 C VAL A 68 2.331 -8.858 -1.646 1.00 0.35 C ATOM 1002 O VAL A 68 3.054 -8.413 -0.757 1.00 0.44 O ATOM 1003 CB VAL A 68 0.091 -7.687 -1.416 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.405 -7.914 -1.568 1.00 0.38 C ATOM 1005 CG2 VAL A 68 0.358 -6.908 -0.139 1.00 0.41 C ATOM 0 H VAL A 68 0.438 -9.216 0.625 1.00 0.33 H new ATOM 0 HA VAL A 68 0.412 -9.621 -2.233 1.00 0.34 H new ATOM 0 HB VAL A 68 0.460 -7.105 -2.260 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -1.921 -6.954 -1.569 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.601 -8.432 -2.507 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.767 -8.520 -0.737 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.181 -5.961 -0.171 1.00 0.41 H new ATOM 0 HG22 VAL A 68 0.020 -7.489 0.719 1.00 0.41 H new ATOM 0 HG23 VAL A 68 1.427 -6.714 -0.048 1.00 0.41 H new ATOM 1015 N ASP A 69 2.802 -9.285 -2.785 1.00 0.36 N ATOM 1016 CA ASP A 69 4.231 -9.185 -3.096 1.00 0.40 C ATOM 1017 C ASP A 69 4.564 -7.883 -3.731 1.00 0.32 C ATOM 1018 O ASP A 69 5.608 -7.297 -3.437 1.00 0.32 O ATOM 1019 CB ASP A 69 4.717 -10.309 -4.010 1.00 0.57 C ATOM 1020 CG ASP A 69 4.673 -11.681 -3.396 1.00 1.13 C ATOM 1021 OD1 ASP A 69 5.658 -12.089 -2.751 1.00 1.27 O ATOM 1022 OD2 ASP A 69 3.664 -12.395 -3.580 1.00 1.91 O ATOM 0 H ASP A 69 2.234 -9.706 -3.520 1.00 0.36 H new ATOM 0 HA ASP A 69 4.742 -9.270 -2.137 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.110 -10.311 -4.915 1.00 0.57 H new ATOM 0 HB3 ASP A 69 5.742 -10.094 -4.314 1.00 0.57 H new ATOM 1027 N THR A 70 3.717 -7.433 -4.597 1.00 0.32 N ATOM 1028 CA THR A 70 3.950 -6.216 -5.285 1.00 0.31 C ATOM 1029 C THR A 70 2.844 -5.214 -4.993 1.00 0.27 C ATOM 1030 O THR A 70 1.701 -5.603 -4.668 1.00 0.29 O ATOM 1031 CB THR A 70 4.063 -6.473 -6.794 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.923 -7.226 -7.234 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.343 -7.235 -7.098 1.00 0.47 C ATOM 0 H THR A 70 2.846 -7.902 -4.844 1.00 0.32 H new ATOM 0 HA THR A 70 4.891 -5.794 -4.933 1.00 0.31 H new ATOM 0 HB THR A 70 4.092 -5.520 -7.323 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.992 -7.390 -8.198 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.414 -7.413 -8.171 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.202 -6.650 -6.769 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.332 -8.190 -6.572 1.00 0.47 H new ATOM 1041 N PRO A 71 3.171 -3.914 -5.047 1.00 0.25 N ATOM 1042 CA PRO A 71 2.217 -2.834 -4.850 1.00 0.24 C ATOM 1043 C PRO A 71 1.046 -2.935 -5.789 1.00 0.21 C ATOM 1044 O PRO A 71 -0.043 -2.560 -5.430 1.00 0.25 O ATOM 1045 CB PRO A 71 3.032 -1.581 -5.131 1.00 0.29 C ATOM 1046 CG PRO A 71 4.417 -1.982 -4.826 1.00 0.32 C ATOM 1047 CD PRO A 71 4.524 -3.397 -5.257 1.00 0.30 C ATOM 0 HA PRO A 71 1.780 -2.849 -3.852 1.00 0.24 H new ATOM 0 HB2 PRO A 71 2.928 -1.261 -6.168 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.711 -0.747 -4.507 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.133 -1.355 -5.357 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.630 -1.879 -3.762 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.829 -3.478 -6.300 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.260 -3.943 -4.667 1.00 0.30 H new ATOM 1055 N ARG A 72 1.290 -3.456 -6.987 1.00 0.22 N ATOM 1056 CA ARG A 72 0.246 -3.682 -7.981 1.00 0.26 C ATOM 1057 C ARG A 72 -0.912 -4.490 -7.361 1.00 0.25 C ATOM 1058 O ARG A 72 -2.083 -4.110 -7.475 1.00 0.29 O ATOM 1059 CB ARG A 72 0.823 -4.449 -9.158 1.00 0.40 C ATOM 1060 CG ARG A 72 -0.110 -4.564 -10.349 1.00 0.92 C ATOM 1061 CD ARG A 72 0.450 -5.500 -11.397 1.00 0.95 C ATOM 1062 NE ARG A 72 1.796 -5.122 -11.834 1.00 0.67 N ATOM 1063 CZ ARG A 72 2.915 -5.841 -11.597 1.00 0.93 C ATOM 1064 NH1 ARG A 72 2.868 -6.914 -10.805 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.074 -5.477 -12.151 1.00 1.29 N ATOM 0 H ARG A 72 2.221 -3.735 -7.297 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.134 -2.718 -8.321 1.00 0.26 H new ATOM 0 HB2 ARG A 72 1.743 -3.960 -9.479 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.093 -5.451 -8.826 1.00 0.40 H new ATOM 0 HG2 ARG A 72 -1.083 -4.926 -10.018 1.00 0.92 H new ATOM 0 HG3 ARG A 72 -0.269 -3.578 -10.786 1.00 0.92 H new ATOM 0 HD2 ARG A 72 0.474 -6.514 -10.997 1.00 0.95 H new ATOM 0 HD3 ARG A 72 -0.217 -5.513 -12.259 1.00 0.95 H new ATOM 0 HE ARG A 72 1.896 -4.251 -12.356 1.00 0.67 H new ATOM 0 HH11 ARG A 72 1.985 -7.193 -10.377 1.00 1.48 H new ATOM 0 HH12 ARG A 72 3.715 -7.455 -10.628 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.115 -4.655 -12.754 1.00 1.29 H new ATOM 0 HH22 ARG A 72 4.918 -6.021 -11.971 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.548 -5.576 -6.679 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.491 -6.481 -6.018 1.00 0.28 C ATOM 1081 C GLU A 73 -2.240 -5.767 -4.905 1.00 0.26 C ATOM 1082 O GLU A 73 -3.469 -5.801 -4.833 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.721 -7.654 -5.409 1.00 0.34 C ATOM 1084 CG GLU A 73 0.019 -8.503 -6.414 1.00 0.44 C ATOM 1085 CD GLU A 73 -0.902 -9.305 -7.281 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.445 -8.745 -8.238 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -1.117 -10.501 -7.019 1.00 1.24 O ATOM 0 H GLU A 73 0.426 -5.857 -6.568 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.207 -6.832 -6.761 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.006 -7.266 -4.683 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.420 -8.287 -4.862 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.636 -7.861 -7.042 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.695 -9.177 -5.887 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.483 -5.086 -4.073 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.008 -4.411 -2.904 1.00 0.28 C ATOM 1096 C LEU A 74 -2.923 -3.253 -3.321 1.00 0.26 C ATOM 1097 O LEU A 74 -4.025 -3.095 -2.781 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.803 -3.965 -2.009 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.070 -3.262 -0.650 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.427 -1.811 -0.830 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.149 -3.993 0.149 1.00 0.90 C ATOM 0 H LEU A 74 -0.475 -4.984 -4.189 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.632 -5.080 -2.312 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.204 -4.852 -1.804 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.185 -3.294 -2.606 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.141 -3.302 -0.081 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.606 -1.357 0.145 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.606 -1.293 -1.327 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.328 -1.731 -1.439 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.313 -3.477 1.095 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.077 -4.008 -0.422 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.827 -5.016 0.345 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.470 -2.478 -4.292 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.217 -1.354 -4.823 1.00 0.23 C ATOM 1115 C LEU A 75 -4.566 -1.827 -5.347 1.00 0.24 C ATOM 1116 O LEU A 75 -5.597 -1.252 -5.014 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.429 -0.667 -5.947 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.981 0.666 -6.440 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.937 1.691 -5.324 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.194 1.156 -7.645 1.00 0.34 C ATOM 0 H LEU A 75 -1.563 -2.614 -4.738 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.378 -0.633 -4.021 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.408 -0.508 -5.601 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.376 -1.350 -6.795 1.00 0.23 H new ATOM 0 HG LEU A 75 -4.018 0.524 -6.745 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.333 2.640 -5.686 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.540 1.342 -4.485 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.906 1.829 -4.997 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.602 2.108 -7.983 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.148 1.287 -7.368 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.267 0.424 -8.449 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.538 -2.913 -6.127 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.750 -3.496 -6.727 1.00 0.25 C ATOM 1134 C ASP A 76 -6.769 -3.861 -5.680 1.00 0.27 C ATOM 1135 O ASP A 76 -7.946 -3.505 -5.803 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.425 -4.750 -7.539 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.674 -5.431 -8.075 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.202 -5.005 -9.116 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.158 -6.392 -7.451 1.00 0.57 O ATOM 0 H ASP A 76 -3.680 -3.413 -6.361 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.162 -2.730 -7.384 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.774 -4.482 -8.372 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.871 -5.451 -6.914 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.306 -4.540 -4.644 1.00 0.30 N ATOM 1145 CA LEU A 77 -7.162 -5.010 -3.572 1.00 0.36 C ATOM 1146 C LEU A 77 -7.858 -3.827 -2.908 1.00 0.34 C ATOM 1147 O LEU A 77 -9.086 -3.816 -2.758 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.306 -5.834 -2.557 1.00 0.47 C ATOM 1149 CG LEU A 77 -7.027 -6.611 -1.415 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.578 -5.698 -0.322 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -8.131 -7.486 -1.985 1.00 1.96 C ATOM 0 H LEU A 77 -5.322 -4.781 -4.524 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.940 -5.664 -3.967 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.723 -6.556 -3.129 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.597 -5.149 -2.092 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.273 -7.240 -0.941 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -8.068 -6.301 0.443 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.760 -5.135 0.128 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.300 -5.006 -0.756 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.625 -8.022 -1.175 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.859 -6.862 -2.504 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.702 -8.202 -2.686 1.00 1.96 H new ATOM 1163 N ILE A 78 -7.087 -2.815 -2.570 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.637 -1.656 -1.897 1.00 0.34 C ATOM 1165 C ILE A 78 -8.537 -0.864 -2.843 1.00 0.31 C ATOM 1166 O ILE A 78 -9.583 -0.388 -2.445 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.534 -0.749 -1.310 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.603 -1.581 -0.426 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.166 0.369 -0.482 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.469 -0.800 0.182 1.00 0.55 C ATOM 0 H ILE A 78 -6.084 -2.770 -2.748 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.236 -2.019 -1.062 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.961 -0.308 -2.126 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.188 -2.033 0.375 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.190 -2.397 -1.019 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.382 1.005 -0.071 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.822 0.965 -1.116 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.746 -0.065 0.333 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.857 -1.463 0.793 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.857 -0.370 -0.611 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.871 -0.000 0.804 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.134 -0.751 -4.100 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.942 -0.058 -5.119 1.00 0.31 C ATOM 1184 C ASN A 79 -10.289 -0.729 -5.296 1.00 0.32 C ATOM 1185 O ASN A 79 -11.314 -0.055 -5.344 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.219 0.041 -6.477 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.194 1.176 -6.594 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.942 1.667 -7.683 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.632 1.629 -5.497 1.00 0.52 N ATOM 0 H ASN A 79 -7.253 -1.127 -4.449 1.00 0.29 H new ATOM 0 HA ASN A 79 -9.095 0.957 -4.753 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.713 -0.905 -6.670 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.967 0.167 -7.260 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.972 2.405 -5.545 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.856 1.205 -4.597 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.282 -2.056 -5.343 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.508 -2.811 -5.497 1.00 0.42 C ATOM 1198 C GLY A 80 -12.440 -2.622 -4.319 1.00 0.45 C ATOM 1199 O GLY A 80 -13.639 -2.428 -4.491 1.00 0.53 O ATOM 0 H GLY A 80 -9.439 -2.626 -5.276 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -12.012 -2.501 -6.412 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.271 -3.869 -5.606 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.882 -2.641 -3.128 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.658 -2.456 -1.916 1.00 0.52 C ATOM 1205 C ALA A 81 -13.158 -1.005 -1.806 1.00 0.51 C ATOM 1206 O ALA A 81 -14.325 -0.756 -1.498 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.827 -2.843 -0.707 1.00 0.59 C ATOM 0 H ALA A 81 -10.884 -2.784 -2.970 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.534 -3.104 -1.954 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.416 -2.702 0.199 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.531 -3.889 -0.788 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.936 -2.217 -0.662 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.287 -0.052 -2.117 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.627 1.363 -2.070 1.00 0.56 C ATOM 1215 C LEU A 82 -13.598 1.775 -3.167 1.00 0.59 C ATOM 1216 O LEU A 82 -14.175 2.862 -3.121 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.380 2.233 -2.100 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.560 2.289 -0.813 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.362 3.208 -0.993 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -11.426 2.766 0.342 1.00 1.10 C ATOM 0 H LEU A 82 -11.327 -0.239 -2.408 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.138 1.522 -1.120 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.734 1.876 -2.902 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.678 3.249 -2.360 1.00 0.63 H new ATOM 0 HG LEU A 82 -10.198 1.287 -0.584 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.785 3.239 -0.069 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.733 2.832 -1.800 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.707 4.212 -1.240 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -10.829 2.801 1.254 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.811 3.762 0.121 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -12.259 2.077 0.480 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.770 0.929 -4.163 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.766 1.158 -5.194 1.00 0.67 C ATOM 1234 C ALA A 83 -16.167 1.113 -4.577 1.00 0.72 C ATOM 1235 O ALA A 83 -17.112 1.719 -5.083 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.636 0.140 -6.317 1.00 0.76 C ATOM 0 H ALA A 83 -13.230 0.072 -4.282 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.601 2.145 -5.626 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.394 0.336 -7.075 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.646 0.218 -6.766 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.775 -0.864 -5.916 1.00 0.76 H new ATOM 1242 N GLU A 84 -16.279 0.428 -3.449 1.00 0.77 N ATOM 1243 CA GLU A 84 -17.540 0.287 -2.752 1.00 0.95 C ATOM 1244 C GLU A 84 -17.720 1.410 -1.720 1.00 1.08 C ATOM 1245 O GLU A 84 -18.695 1.418 -0.946 1.00 1.35 O ATOM 1246 CB GLU A 84 -17.612 -1.076 -2.059 1.00 1.11 C ATOM 1247 CG GLU A 84 -17.419 -2.262 -2.992 1.00 1.33 C ATOM 1248 CD GLU A 84 -18.390 -2.261 -4.146 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -19.569 -2.600 -3.950 1.00 2.24 O ATOM 1250 OE2 GLU A 84 -17.997 -1.901 -5.284 1.00 2.44 O ATOM 0 H GLU A 84 -15.497 -0.044 -2.995 1.00 0.77 H new ATOM 0 HA GLU A 84 -18.344 0.357 -3.484 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -16.852 -1.115 -1.279 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -18.580 -1.170 -1.566 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -16.400 -2.251 -3.380 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -17.535 -3.186 -2.426 1.00 1.33 H new ATOM 1257 N ALA A 85 -16.786 2.341 -1.694 1.00 1.14 N ATOM 1258 CA ALA A 85 -16.848 3.466 -0.787 1.00 1.38 C ATOM 1259 C ALA A 85 -17.473 4.656 -1.493 1.00 1.73 C ATOM 1260 O ALA A 85 -17.266 4.857 -2.699 1.00 2.12 O ATOM 1261 CB ALA A 85 -15.463 3.817 -0.261 1.00 1.46 C ATOM 0 H ALA A 85 -15.966 2.337 -2.300 1.00 1.14 H new ATOM 0 HA ALA A 85 -17.467 3.195 0.068 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -15.536 4.666 0.419 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -15.048 2.961 0.271 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -14.812 4.076 -1.096 1.00 1.46 H new ATOM 1267 N ALA A 86 -18.253 5.408 -0.777 1.00 2.21 N ATOM 1268 CA ALA A 86 -18.932 6.552 -1.319 1.00 2.74 C ATOM 1269 C ALA A 86 -18.875 7.674 -0.312 1.00 3.28 C ATOM 1270 O ALA A 86 -18.010 8.567 -0.449 1.00 3.60 O ATOM 1271 CB ALA A 86 -20.377 6.204 -1.668 1.00 3.25 C ATOM 1272 OXT ALA A 86 -19.647 7.655 0.657 1.00 3.84 O ATOM 0 H ALA A 86 -18.440 5.245 0.212 1.00 2.21 H new ATOM 0 HA ALA A 86 -18.441 6.868 -2.239 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -20.874 7.083 -2.077 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -20.390 5.403 -2.407 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -20.900 5.877 -0.769 1.00 3.25 H new TER 1278 ALA A 86