USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -155:sc= 0.815 USER MOD Set 1.2: A 48 THR OG1 : rot 150:sc= 0.00109 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.204 (180deg=0.189) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0082 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00514 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -57:sc= 1.27 USER MOD Single : A 46 MET CE :methyl 142:sc= -0.452 (180deg=-2.07!) USER MOD Single : A 54 SER OG : rot 83:sc= 0.981 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.496 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.375 USER MOD Single : A 79 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.019 -7.486 -3.574 1.00 3.07 N ATOM 2 CA MET A 1 -18.611 -8.052 -2.278 1.00 2.76 C ATOM 3 C MET A 1 -17.240 -7.547 -1.912 1.00 2.34 C ATOM 4 O MET A 1 -16.300 -7.668 -2.706 1.00 2.38 O ATOM 5 CB MET A 1 -18.580 -9.597 -2.284 1.00 2.93 C ATOM 6 CG MET A 1 -19.931 -10.269 -2.396 1.00 3.33 C ATOM 7 SD MET A 1 -19.812 -12.071 -2.412 1.00 4.18 S ATOM 8 CE MET A 1 -21.546 -12.517 -2.536 1.00 4.50 C ATOM 0 H1 MET A 1 -19.927 -7.902 -3.864 1.00 3.07 H new ATOM 0 H2 MET A 1 -19.123 -6.455 -3.485 1.00 3.07 H new ATOM 0 H3 MET A 1 -18.296 -7.701 -4.290 1.00 3.07 H new ATOM 0 HA MET A 1 -19.355 -7.733 -1.548 1.00 2.76 H new ATOM 0 HB2 MET A 1 -17.957 -9.929 -3.115 1.00 2.93 H new ATOM 0 HB3 MET A 1 -18.097 -9.938 -1.368 1.00 2.93 H new ATOM 0 HG2 MET A 1 -20.558 -9.958 -1.560 1.00 3.33 H new ATOM 0 HG3 MET A 1 -20.425 -9.933 -3.308 1.00 3.33 H new ATOM 0 HE1 MET A 1 -21.642 -13.603 -2.557 1.00 4.50 H new ATOM 0 HE2 MET A 1 -22.086 -12.122 -1.676 1.00 4.50 H new ATOM 0 HE3 MET A 1 -21.965 -12.098 -3.451 1.00 4.50 H new ATOM 20 N ALA A 2 -17.117 -6.988 -0.727 1.00 2.23 N ATOM 21 CA ALA A 2 -15.854 -6.493 -0.242 1.00 1.97 C ATOM 22 C ALA A 2 -14.867 -7.629 -0.042 1.00 1.62 C ATOM 23 O ALA A 2 -15.002 -8.437 0.881 1.00 1.83 O ATOM 24 CB ALA A 2 -16.047 -5.721 1.044 1.00 2.32 C ATOM 0 H ALA A 2 -17.892 -6.866 -0.075 1.00 2.23 H new ATOM 0 HA ALA A 2 -15.442 -5.817 -0.992 1.00 1.97 H new ATOM 0 HB1 ALA A 2 -15.083 -5.354 1.396 1.00 2.32 H new ATOM 0 HB2 ALA A 2 -16.713 -4.877 0.865 1.00 2.32 H new ATOM 0 HB3 ALA A 2 -16.484 -6.375 1.799 1.00 2.32 H new ATOM 30 N THR A 3 -13.911 -7.713 -0.922 1.00 1.33 N ATOM 31 CA THR A 3 -12.884 -8.719 -0.842 1.00 1.10 C ATOM 32 C THR A 3 -11.645 -8.099 -0.198 1.00 0.90 C ATOM 33 O THR A 3 -10.829 -7.483 -0.872 1.00 0.87 O ATOM 34 CB THR A 3 -12.527 -9.228 -2.250 1.00 1.27 C ATOM 35 OG1 THR A 3 -13.734 -9.639 -2.927 1.00 1.70 O ATOM 36 CG2 THR A 3 -11.565 -10.416 -2.174 1.00 1.78 C ATOM 0 H THR A 3 -13.819 -7.084 -1.720 1.00 1.33 H new ATOM 0 HA THR A 3 -13.242 -9.559 -0.246 1.00 1.10 H new ATOM 0 HB THR A 3 -12.041 -8.421 -2.798 1.00 1.27 H new ATOM 0 HG1 THR A 3 -13.511 -9.962 -3.825 1.00 1.70 H new ATOM 0 HG21 THR A 3 -11.328 -10.757 -3.182 1.00 1.78 H new ATOM 0 HG22 THR A 3 -10.648 -10.110 -1.670 1.00 1.78 H new ATOM 0 HG23 THR A 3 -12.033 -11.228 -1.617 1.00 1.78 H new ATOM 44 N LEU A 4 -11.596 -8.153 1.111 1.00 0.86 N ATOM 45 CA LEU A 4 -10.465 -7.624 1.857 1.00 0.72 C ATOM 46 C LEU A 4 -9.194 -8.408 1.549 1.00 0.67 C ATOM 47 O LEU A 4 -9.160 -9.633 1.660 1.00 0.83 O ATOM 48 CB LEU A 4 -10.739 -7.566 3.382 1.00 0.71 C ATOM 49 CG LEU A 4 -11.616 -6.393 3.901 1.00 0.87 C ATOM 50 CD1 LEU A 4 -13.007 -6.393 3.303 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.703 -6.427 5.412 1.00 1.75 C ATOM 0 H LEU A 4 -12.329 -8.560 1.691 1.00 0.86 H new ATOM 0 HA LEU A 4 -10.317 -6.595 1.528 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -11.217 -8.501 3.675 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.779 -7.524 3.897 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.128 -5.472 3.582 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.574 -5.552 3.702 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.937 -6.302 2.219 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.512 -7.325 3.557 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.321 -5.599 5.760 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -12.148 -7.370 5.730 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.703 -6.337 5.836 1.00 1.75 H new ATOM 63 N LEU A 5 -8.179 -7.695 1.136 1.00 0.55 N ATOM 64 CA LEU A 5 -6.904 -8.276 0.793 1.00 0.51 C ATOM 65 C LEU A 5 -6.077 -8.546 2.035 1.00 0.46 C ATOM 66 O LEU A 5 -6.245 -7.885 3.068 1.00 0.50 O ATOM 67 CB LEU A 5 -6.102 -7.389 -0.179 1.00 0.53 C ATOM 68 CG LEU A 5 -5.826 -5.936 0.247 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.427 -5.535 -0.180 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.830 -4.992 -0.412 1.00 0.95 C ATOM 0 H LEU A 5 -8.213 -6.681 1.026 1.00 0.55 H new ATOM 0 HA LEU A 5 -7.118 -9.219 0.291 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.143 -7.873 -0.363 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.635 -7.365 -1.130 1.00 0.53 H new ATOM 0 HG LEU A 5 -5.920 -5.868 1.331 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.235 -4.506 0.123 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.699 -6.194 0.293 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.340 -5.616 -1.263 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -6.624 -3.968 -0.102 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.743 -5.068 -1.496 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.840 -5.266 -0.109 1.00 0.95 H new ATOM 82 N THR A 6 -5.193 -9.497 1.923 1.00 0.47 N ATOM 83 CA THR A 6 -4.343 -9.877 2.999 1.00 0.49 C ATOM 84 C THR A 6 -3.042 -9.060 2.979 1.00 0.40 C ATOM 85 O THR A 6 -2.787 -8.280 2.044 1.00 0.38 O ATOM 86 CB THR A 6 -4.033 -11.386 2.946 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.574 -11.723 1.621 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.271 -12.213 3.274 1.00 0.93 C ATOM 0 H THR A 6 -5.046 -10.033 1.068 1.00 0.47 H new ATOM 0 HA THR A 6 -4.866 -9.668 3.932 1.00 0.49 H new ATOM 0 HB THR A 6 -3.265 -11.610 3.686 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.373 -12.681 1.578 1.00 0.82 H new ATOM 0 HG21 THR A 6 -5.023 -13.273 3.229 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.620 -11.964 4.276 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.057 -11.994 2.552 1.00 0.93 H new ATOM 96 N THR A 7 -2.206 -9.261 3.964 1.00 0.44 N ATOM 97 CA THR A 7 -0.972 -8.520 4.063 1.00 0.42 C ATOM 98 C THR A 7 0.114 -9.155 3.159 1.00 0.37 C ATOM 99 O THR A 7 1.131 -8.533 2.831 1.00 0.39 O ATOM 100 CB THR A 7 -0.506 -8.465 5.531 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.645 -8.133 6.355 1.00 0.58 O ATOM 102 CG2 THR A 7 0.558 -7.398 5.728 1.00 0.54 C ATOM 0 H THR A 7 -2.357 -9.935 4.714 1.00 0.44 H new ATOM 0 HA THR A 7 -1.142 -7.500 3.718 1.00 0.42 H new ATOM 0 HB THR A 7 -0.084 -9.432 5.803 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.369 -8.095 7.295 1.00 0.58 H new ATOM 0 HG21 THR A 7 0.868 -7.382 6.773 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.419 -7.622 5.098 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.152 -6.424 5.455 1.00 0.54 H new ATOM 110 N ASP A 8 -0.155 -10.370 2.702 1.00 0.41 N ATOM 111 CA ASP A 8 0.782 -11.094 1.836 1.00 0.46 C ATOM 112 C ASP A 8 0.778 -10.486 0.458 1.00 0.42 C ATOM 113 O ASP A 8 1.839 -10.215 -0.127 1.00 0.47 O ATOM 114 CB ASP A 8 0.421 -12.590 1.730 1.00 0.62 C ATOM 115 CG ASP A 8 1.339 -13.344 0.764 1.00 1.41 C ATOM 116 OD1 ASP A 8 2.504 -13.583 1.111 1.00 1.98 O ATOM 117 OD2 ASP A 8 0.900 -13.693 -0.353 1.00 2.01 O ATOM 0 H ASP A 8 -1.013 -10.880 2.913 1.00 0.41 H new ATOM 0 HA ASP A 8 1.773 -11.012 2.281 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.483 -13.047 2.718 1.00 0.62 H new ATOM 0 HB3 ASP A 8 -0.612 -12.689 1.397 1.00 0.62 H new ATOM 122 N ASP A 9 -0.417 -10.216 -0.028 1.00 0.41 N ATOM 123 CA ASP A 9 -0.602 -9.669 -1.357 1.00 0.46 C ATOM 124 C ASP A 9 0.003 -8.257 -1.395 1.00 0.40 C ATOM 125 O ASP A 9 0.783 -7.919 -2.283 1.00 0.46 O ATOM 126 CB ASP A 9 -2.090 -9.621 -1.704 1.00 0.54 C ATOM 127 CG ASP A 9 -2.338 -9.749 -3.188 1.00 0.98 C ATOM 128 OD1 ASP A 9 -1.842 -8.922 -3.968 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.063 -10.691 -3.601 1.00 1.83 O ATOM 0 H ASP A 9 -1.285 -10.369 0.486 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.103 -10.301 -2.091 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.609 -10.424 -1.181 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.514 -8.682 -1.347 1.00 0.54 H new ATOM 134 N LEU A 10 -0.292 -7.481 -0.344 1.00 0.36 N ATOM 135 CA LEU A 10 0.224 -6.113 -0.157 1.00 0.35 C ATOM 136 C LEU A 10 1.758 -6.105 -0.207 1.00 0.33 C ATOM 137 O LEU A 10 2.371 -5.285 -0.901 1.00 0.36 O ATOM 138 CB LEU A 10 -0.257 -5.556 1.207 1.00 0.37 C ATOM 139 CG LEU A 10 0.223 -4.138 1.594 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.205 -3.097 0.564 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.294 -3.768 2.975 1.00 0.48 C ATOM 0 H LEU A 10 -0.904 -7.787 0.412 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.155 -5.483 -0.962 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.347 -5.557 1.208 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.063 -6.247 1.987 1.00 0.37 H new ATOM 0 HG LEU A 10 1.313 -4.148 1.614 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.151 -2.114 0.871 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.220 -3.350 -0.407 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.292 -3.083 0.491 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.051 -2.767 3.236 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.384 -3.787 2.973 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.080 -4.483 3.707 1.00 0.48 H new ATOM 153 N ARG A 11 2.359 -7.033 0.523 1.00 0.33 N ATOM 154 CA ARG A 11 3.805 -7.192 0.569 1.00 0.37 C ATOM 155 C ARG A 11 4.387 -7.418 -0.828 1.00 0.39 C ATOM 156 O ARG A 11 5.344 -6.759 -1.220 1.00 0.45 O ATOM 157 CB ARG A 11 4.167 -8.367 1.497 1.00 0.45 C ATOM 158 CG ARG A 11 5.645 -8.743 1.504 1.00 0.72 C ATOM 159 CD ARG A 11 5.937 -9.837 2.526 1.00 0.63 C ATOM 160 NE ARG A 11 5.147 -11.063 2.304 1.00 1.12 N ATOM 161 CZ ARG A 11 5.272 -12.202 3.029 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.233 -12.311 3.947 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.473 -13.238 2.800 1.00 2.27 N ATOM 0 H ARG A 11 1.853 -7.702 1.104 1.00 0.33 H new ATOM 0 HA ARG A 11 4.239 -6.272 0.962 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.866 -8.115 2.514 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.586 -9.240 1.199 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.940 -9.083 0.511 1.00 0.72 H new ATOM 0 HG3 ARG A 11 6.245 -7.862 1.731 1.00 0.72 H new ATOM 0 HD2 ARG A 11 6.998 -10.084 2.491 1.00 0.63 H new ATOM 0 HD3 ARG A 11 5.731 -9.456 3.526 1.00 0.63 H new ATOM 0 HE ARG A 11 4.458 -11.053 1.552 1.00 1.12 H new ATOM 0 HH11 ARG A 11 6.877 -11.536 4.106 1.00 1.47 H new ATOM 0 HH12 ARG A 11 6.324 -13.169 4.491 1.00 1.47 H new ATOM 0 HH21 ARG A 11 3.759 -13.180 2.074 1.00 2.27 H new ATOM 0 HH22 ARG A 11 4.574 -14.091 3.350 1.00 2.27 H new ATOM 177 N ARG A 12 3.769 -8.310 -1.575 1.00 0.40 N ATOM 178 CA ARG A 12 4.243 -8.682 -2.897 1.00 0.48 C ATOM 179 C ARG A 12 4.072 -7.545 -3.895 1.00 0.47 C ATOM 180 O ARG A 12 4.990 -7.227 -4.657 1.00 0.50 O ATOM 181 CB ARG A 12 3.531 -9.937 -3.364 1.00 0.56 C ATOM 182 CG ARG A 12 3.821 -11.132 -2.466 1.00 0.94 C ATOM 183 CD ARG A 12 3.074 -12.390 -2.870 1.00 1.18 C ATOM 184 NE ARG A 12 3.575 -12.993 -4.117 1.00 1.76 N ATOM 185 CZ ARG A 12 3.116 -14.147 -4.625 1.00 2.29 C ATOM 186 NH1 ARG A 12 2.093 -14.782 -4.033 1.00 2.31 N ATOM 187 NH2 ARG A 12 3.662 -14.664 -5.720 1.00 3.30 N ATOM 0 H ARG A 12 2.923 -8.799 -1.284 1.00 0.40 H new ATOM 0 HA ARG A 12 5.311 -8.888 -2.834 1.00 0.48 H new ATOM 0 HB2 ARG A 12 2.457 -9.755 -3.388 1.00 0.56 H new ATOM 0 HB3 ARG A 12 3.838 -10.168 -4.384 1.00 0.56 H new ATOM 0 HG2 ARG A 12 4.892 -11.335 -2.480 1.00 0.94 H new ATOM 0 HG3 ARG A 12 3.558 -10.877 -1.439 1.00 0.94 H new ATOM 0 HD2 ARG A 12 3.148 -13.122 -2.066 1.00 1.18 H new ATOM 0 HD3 ARG A 12 2.017 -12.153 -2.989 1.00 1.18 H new ATOM 0 HE ARG A 12 4.314 -12.505 -4.624 1.00 1.76 H new ATOM 0 HH11 ARG A 12 1.664 -14.388 -3.196 1.00 2.31 H new ATOM 0 HH12 ARG A 12 1.745 -15.659 -4.420 1.00 2.31 H new ATOM 0 HH21 ARG A 12 4.435 -14.183 -6.180 1.00 3.30 H new ATOM 0 HH22 ARG A 12 3.308 -15.542 -6.101 1.00 3.30 H new ATOM 201 N ALA A 13 2.933 -6.898 -3.841 1.00 0.47 N ATOM 202 CA ALA A 13 2.636 -5.782 -4.740 1.00 0.53 C ATOM 203 C ALA A 13 3.575 -4.582 -4.486 1.00 0.46 C ATOM 204 O ALA A 13 3.851 -3.784 -5.387 1.00 0.48 O ATOM 205 CB ALA A 13 1.185 -5.357 -4.614 1.00 0.63 C ATOM 0 H ALA A 13 2.185 -7.118 -3.184 1.00 0.47 H new ATOM 0 HA ALA A 13 2.808 -6.130 -5.759 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.989 -4.526 -5.292 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.537 -6.195 -4.870 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.985 -5.044 -3.589 1.00 0.63 H new ATOM 211 N LEU A 14 4.069 -4.465 -3.261 1.00 0.42 N ATOM 212 CA LEU A 14 4.995 -3.390 -2.903 1.00 0.39 C ATOM 213 C LEU A 14 6.354 -3.642 -3.553 1.00 0.40 C ATOM 214 O LEU A 14 7.104 -2.718 -3.825 1.00 0.46 O ATOM 215 CB LEU A 14 5.133 -3.286 -1.374 1.00 0.45 C ATOM 216 CG LEU A 14 5.955 -2.102 -0.811 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.335 -0.766 -1.187 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.075 -2.212 0.704 1.00 1.00 C ATOM 0 H LEU A 14 3.846 -5.100 -2.495 1.00 0.42 H new ATOM 0 HA LEU A 14 4.600 -2.443 -3.271 1.00 0.39 H new ATOM 0 HB2 LEU A 14 4.131 -3.233 -0.948 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.584 -4.210 -1.013 1.00 0.45 H new ATOM 0 HG LEU A 14 6.950 -2.150 -1.254 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.938 0.044 -0.775 1.00 0.44 H new ATOM 0 HD12 LEU A 14 5.298 -0.675 -2.273 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.324 -0.707 -0.783 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.656 -1.372 1.085 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.080 -2.197 1.150 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.575 -3.146 0.963 1.00 1.00 H new ATOM 230 N VAL A 15 6.635 -4.896 -3.824 1.00 0.44 N ATOM 231 CA VAL A 15 7.885 -5.306 -4.461 1.00 0.53 C ATOM 232 C VAL A 15 7.844 -4.983 -5.964 1.00 0.55 C ATOM 233 O VAL A 15 8.825 -4.497 -6.532 1.00 0.64 O ATOM 234 CB VAL A 15 8.143 -6.837 -4.276 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.457 -7.259 -4.932 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.146 -7.218 -2.806 1.00 0.64 C ATOM 0 H VAL A 15 6.006 -5.671 -3.611 1.00 0.44 H new ATOM 0 HA VAL A 15 8.694 -4.754 -3.983 1.00 0.53 H new ATOM 0 HB VAL A 15 7.327 -7.366 -4.768 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.609 -8.329 -4.787 1.00 0.74 H new ATOM 0 HG12 VAL A 15 9.418 -7.040 -5.999 1.00 0.74 H new ATOM 0 HG13 VAL A 15 10.283 -6.710 -4.479 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.328 -8.288 -2.708 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.932 -6.668 -2.289 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.180 -6.972 -2.364 1.00 0.64 H new ATOM 246 N GLU A 16 6.687 -5.213 -6.585 1.00 0.59 N ATOM 247 CA GLU A 16 6.502 -5.041 -8.052 1.00 0.69 C ATOM 248 C GLU A 16 6.786 -3.594 -8.526 1.00 0.65 C ATOM 249 O GLU A 16 7.046 -3.358 -9.712 1.00 0.77 O ATOM 250 CB GLU A 16 5.063 -5.407 -8.470 1.00 0.89 C ATOM 251 CG GLU A 16 4.610 -6.821 -8.118 1.00 1.11 C ATOM 252 CD GLU A 16 3.245 -7.138 -8.707 1.00 1.54 C ATOM 253 OE1 GLU A 16 2.234 -6.553 -8.263 1.00 2.18 O ATOM 254 OE2 GLU A 16 3.180 -7.923 -9.698 1.00 1.95 O ATOM 0 H GLU A 16 5.845 -5.523 -6.100 1.00 0.59 H new ATOM 0 HA GLU A 16 7.222 -5.711 -8.522 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.378 -4.699 -8.003 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.973 -5.274 -9.548 1.00 0.89 H new ATOM 0 HG2 GLU A 16 5.341 -7.540 -8.487 1.00 1.11 H new ATOM 0 HG3 GLU A 16 4.573 -6.932 -7.034 1.00 1.11 H new ATOM 261 N SER A 17 6.739 -2.655 -7.606 1.00 0.59 N ATOM 262 CA SER A 17 6.875 -1.259 -7.935 1.00 0.64 C ATOM 263 C SER A 17 8.364 -0.825 -8.006 1.00 0.74 C ATOM 264 O SER A 17 8.673 0.294 -8.436 1.00 1.04 O ATOM 265 CB SER A 17 6.099 -0.432 -6.901 1.00 0.68 C ATOM 266 OG SER A 17 5.898 0.895 -7.322 1.00 1.27 O ATOM 0 H SER A 17 6.606 -2.841 -6.612 1.00 0.59 H new ATOM 0 HA SER A 17 6.459 -1.085 -8.927 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.133 -0.902 -6.714 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.643 -0.433 -5.956 1.00 0.68 H new ATOM 0 HG SER A 17 5.773 1.471 -6.539 1.00 1.27 H new ATOM 272 N ALA A 18 9.275 -1.708 -7.620 1.00 0.70 N ATOM 273 CA ALA A 18 10.686 -1.359 -7.624 1.00 0.87 C ATOM 274 C ALA A 18 11.442 -2.079 -8.744 1.00 1.05 C ATOM 275 O ALA A 18 11.649 -1.513 -9.835 1.00 1.57 O ATOM 276 CB ALA A 18 11.310 -1.620 -6.256 1.00 0.95 C ATOM 0 H ALA A 18 9.066 -2.656 -7.305 1.00 0.70 H new ATOM 0 HA ALA A 18 10.768 -0.291 -7.827 1.00 0.87 H new ATOM 0 HB1 ALA A 18 12.366 -1.352 -6.281 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.801 -1.019 -5.503 1.00 0.95 H new ATOM 0 HB3 ALA A 18 11.209 -2.676 -6.006 1.00 0.95 H new ATOM 282 N GLY A 19 11.803 -3.329 -8.510 1.00 0.98 N ATOM 283 CA GLY A 19 12.538 -4.068 -9.497 1.00 1.32 C ATOM 284 C GLY A 19 13.008 -5.411 -8.987 1.00 1.47 C ATOM 285 O GLY A 19 12.234 -6.378 -8.979 1.00 1.85 O ATOM 0 H GLY A 19 11.598 -3.841 -7.652 1.00 0.98 H new ATOM 0 HA2 GLY A 19 11.911 -4.217 -10.376 1.00 1.32 H new ATOM 0 HA3 GLY A 19 13.400 -3.483 -9.816 1.00 1.32 H new ATOM 289 N GLU A 20 14.254 -5.473 -8.547 1.00 1.96 N ATOM 290 CA GLU A 20 14.874 -6.708 -8.075 1.00 2.68 C ATOM 291 C GLU A 20 16.063 -6.376 -7.149 1.00 2.91 C ATOM 292 O GLU A 20 15.962 -6.423 -5.923 1.00 3.66 O ATOM 293 CB GLU A 20 15.364 -7.519 -9.288 1.00 3.52 C ATOM 294 CG GLU A 20 15.998 -8.877 -8.978 1.00 4.20 C ATOM 295 CD GLU A 20 15.007 -9.961 -8.643 1.00 4.87 C ATOM 296 OE1 GLU A 20 14.258 -10.410 -9.532 1.00 5.31 O ATOM 297 OE2 GLU A 20 14.879 -10.293 -7.434 1.00 5.27 O ATOM 0 H GLU A 20 14.872 -4.663 -8.506 1.00 1.96 H new ATOM 0 HA GLU A 20 14.145 -7.294 -7.514 1.00 2.68 H new ATOM 0 HB2 GLU A 20 14.519 -7.680 -9.957 1.00 3.52 H new ATOM 0 HB3 GLU A 20 16.092 -6.917 -9.832 1.00 3.52 H new ATOM 0 HG2 GLU A 20 16.589 -9.194 -9.837 1.00 4.20 H new ATOM 0 HG3 GLU A 20 16.688 -8.761 -8.142 1.00 4.20 H new ATOM 304 N THR A 21 17.147 -5.939 -7.745 1.00 2.73 N ATOM 305 CA THR A 21 18.385 -5.664 -7.042 1.00 3.25 C ATOM 306 C THR A 21 18.423 -4.193 -6.633 1.00 3.14 C ATOM 307 O THR A 21 19.405 -3.482 -6.859 1.00 3.43 O ATOM 308 CB THR A 21 19.583 -5.985 -7.965 1.00 3.93 C ATOM 309 OG1 THR A 21 19.435 -5.270 -9.207 1.00 4.30 O ATOM 310 CG2 THR A 21 19.670 -7.476 -8.260 1.00 4.40 C ATOM 0 H THR A 21 17.198 -5.761 -8.748 1.00 2.73 H new ATOM 0 HA THR A 21 18.444 -6.285 -6.148 1.00 3.25 H new ATOM 0 HB THR A 21 20.496 -5.678 -7.454 1.00 3.93 H new ATOM 0 HG1 THR A 21 20.195 -5.471 -9.793 1.00 4.30 H new ATOM 0 HG21 THR A 21 20.522 -7.669 -8.911 1.00 4.40 H new ATOM 0 HG22 THR A 21 19.795 -8.025 -7.327 1.00 4.40 H new ATOM 0 HG23 THR A 21 18.755 -7.803 -8.754 1.00 4.40 H new ATOM 318 N ASP A 22 17.343 -3.754 -6.054 1.00 3.24 N ATOM 319 CA ASP A 22 17.162 -2.368 -5.698 1.00 3.46 C ATOM 320 C ASP A 22 16.170 -2.219 -4.559 1.00 3.15 C ATOM 321 O ASP A 22 15.816 -1.102 -4.172 1.00 3.71 O ATOM 322 CB ASP A 22 16.691 -1.577 -6.935 1.00 4.08 C ATOM 323 CG ASP A 22 15.463 -2.184 -7.596 1.00 4.82 C ATOM 324 OD1 ASP A 22 15.612 -3.114 -8.377 1.00 5.14 O ATOM 325 OD2 ASP A 22 14.325 -1.709 -7.314 1.00 5.44 O ATOM 0 H ASP A 22 16.552 -4.351 -5.811 1.00 3.24 H new ATOM 0 HA ASP A 22 18.116 -1.968 -5.356 1.00 3.46 H new ATOM 0 HB2 ASP A 22 16.469 -0.551 -6.641 1.00 4.08 H new ATOM 0 HB3 ASP A 22 17.503 -1.532 -7.661 1.00 4.08 H new ATOM 330 N GLY A 23 15.772 -3.337 -3.989 1.00 2.69 N ATOM 331 CA GLY A 23 14.829 -3.320 -2.914 1.00 2.70 C ATOM 332 C GLY A 23 15.348 -4.095 -1.736 1.00 2.24 C ATOM 333 O GLY A 23 16.410 -4.716 -1.826 1.00 2.70 O ATOM 0 H GLY A 23 16.093 -4.266 -4.260 1.00 2.69 H new ATOM 0 HA2 GLY A 23 14.627 -2.291 -2.617 1.00 2.70 H new ATOM 0 HA3 GLY A 23 13.883 -3.747 -3.247 1.00 2.70 H new ATOM 337 N THR A 24 14.630 -4.056 -0.637 1.00 1.89 N ATOM 338 CA THR A 24 15.050 -4.752 0.548 1.00 1.88 C ATOM 339 C THR A 24 14.202 -6.023 0.743 1.00 1.65 C ATOM 340 O THR A 24 13.352 -6.350 -0.111 1.00 2.03 O ATOM 341 CB THR A 24 15.004 -3.810 1.810 1.00 2.50 C ATOM 342 OG1 THR A 24 15.516 -4.474 2.980 1.00 3.09 O ATOM 343 CG2 THR A 24 13.580 -3.333 2.081 1.00 2.87 C ATOM 0 H THR A 24 13.751 -3.547 -0.543 1.00 1.89 H new ATOM 0 HA THR A 24 16.089 -5.058 0.425 1.00 1.88 H new ATOM 0 HB THR A 24 15.636 -2.949 1.592 1.00 2.50 H new ATOM 0 HG1 THR A 24 15.476 -3.864 3.746 1.00 3.09 H new ATOM 0 HG21 THR A 24 13.574 -2.684 2.957 1.00 2.87 H new ATOM 0 HG22 THR A 24 13.211 -2.780 1.217 1.00 2.87 H new ATOM 0 HG23 THR A 24 12.936 -4.194 2.263 1.00 2.87 H new ATOM 351 N ASP A 25 14.392 -6.703 1.849 1.00 1.52 N ATOM 352 CA ASP A 25 13.667 -7.918 2.120 1.00 1.56 C ATOM 353 C ASP A 25 12.484 -7.595 2.974 1.00 1.29 C ATOM 354 O ASP A 25 12.628 -7.318 4.167 1.00 1.63 O ATOM 355 CB ASP A 25 14.524 -8.972 2.857 1.00 2.14 C ATOM 356 CG ASP A 25 15.755 -9.429 2.106 1.00 2.62 C ATOM 357 OD1 ASP A 25 15.618 -10.258 1.184 1.00 3.01 O ATOM 358 OD2 ASP A 25 16.863 -8.938 2.400 1.00 3.06 O ATOM 0 H ASP A 25 15.049 -6.431 2.580 1.00 1.52 H new ATOM 0 HA ASP A 25 13.370 -8.339 1.160 1.00 1.56 H new ATOM 0 HB2 ASP A 25 14.834 -8.560 3.817 1.00 2.14 H new ATOM 0 HB3 ASP A 25 13.902 -9.841 3.069 1.00 2.14 H new ATOM 363 N LEU A 26 11.323 -7.578 2.381 1.00 1.14 N ATOM 364 CA LEU A 26 10.109 -7.349 3.136 1.00 0.93 C ATOM 365 C LEU A 26 9.723 -8.640 3.822 1.00 0.97 C ATOM 366 O LEU A 26 8.999 -9.459 3.271 1.00 1.44 O ATOM 367 CB LEU A 26 8.965 -6.843 2.244 1.00 1.11 C ATOM 368 CG LEU A 26 9.215 -5.532 1.499 1.00 0.87 C ATOM 369 CD1 LEU A 26 8.054 -5.230 0.571 1.00 1.38 C ATOM 370 CD2 LEU A 26 9.407 -4.390 2.487 1.00 1.53 C ATOM 0 H LEU A 26 11.185 -7.719 1.380 1.00 1.14 H new ATOM 0 HA LEU A 26 10.293 -6.570 3.876 1.00 0.93 H new ATOM 0 HB2 LEU A 26 8.737 -7.615 1.510 1.00 1.11 H new ATOM 0 HB3 LEU A 26 8.077 -6.720 2.864 1.00 1.11 H new ATOM 0 HG LEU A 26 10.123 -5.636 0.906 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.242 -4.294 0.045 1.00 1.38 H new ATOM 0 HD12 LEU A 26 7.947 -6.038 -0.153 1.00 1.38 H new ATOM 0 HD13 LEU A 26 7.137 -5.141 1.153 1.00 1.38 H new ATOM 0 HD21 LEU A 26 9.584 -3.463 1.942 1.00 1.53 H new ATOM 0 HD22 LEU A 26 8.512 -4.285 3.100 1.00 1.53 H new ATOM 0 HD23 LEU A 26 10.263 -4.603 3.128 1.00 1.53 H new ATOM 382 N SER A 27 10.287 -8.857 4.967 1.00 1.01 N ATOM 383 CA SER A 27 10.031 -10.018 5.746 1.00 1.18 C ATOM 384 C SER A 27 10.096 -9.614 7.207 1.00 1.27 C ATOM 385 O SER A 27 10.636 -8.550 7.532 1.00 1.98 O ATOM 386 CB SER A 27 11.064 -11.118 5.425 1.00 1.52 C ATOM 387 OG SER A 27 10.770 -12.335 6.110 1.00 2.26 O ATOM 0 H SER A 27 10.954 -8.214 5.393 1.00 1.01 H new ATOM 0 HA SER A 27 9.046 -10.426 5.518 1.00 1.18 H new ATOM 0 HB2 SER A 27 11.080 -11.300 4.350 1.00 1.52 H new ATOM 0 HB3 SER A 27 12.060 -10.775 5.705 1.00 1.52 H new ATOM 0 HG SER A 27 11.443 -13.010 5.882 1.00 2.26 H new ATOM 393 N GLY A 28 9.565 -10.433 8.068 1.00 1.18 N ATOM 394 CA GLY A 28 9.493 -10.090 9.470 1.00 1.46 C ATOM 395 C GLY A 28 8.328 -9.179 9.718 1.00 1.19 C ATOM 396 O GLY A 28 7.258 -9.618 10.128 1.00 1.73 O ATOM 0 H GLY A 28 9.174 -11.344 7.830 1.00 1.18 H new ATOM 0 HA2 GLY A 28 9.391 -10.995 10.069 1.00 1.46 H new ATOM 0 HA3 GLY A 28 10.418 -9.604 9.782 1.00 1.46 H new ATOM 400 N ASP A 29 8.516 -7.929 9.405 1.00 0.90 N ATOM 401 CA ASP A 29 7.480 -6.932 9.541 1.00 0.83 C ATOM 402 C ASP A 29 7.771 -5.772 8.639 1.00 0.79 C ATOM 403 O ASP A 29 8.924 -5.489 8.340 1.00 1.33 O ATOM 404 CB ASP A 29 7.342 -6.418 10.997 1.00 1.20 C ATOM 405 CG ASP A 29 6.329 -5.274 11.097 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.163 -5.470 10.690 1.00 2.44 O ATOM 407 OD2 ASP A 29 6.708 -4.153 11.493 1.00 2.68 O ATOM 0 H ASP A 29 9.398 -7.565 9.045 1.00 0.90 H new ATOM 0 HA ASP A 29 6.539 -7.407 9.263 1.00 0.83 H new ATOM 0 HB2 ASP A 29 7.031 -7.238 11.645 1.00 1.20 H new ATOM 0 HB3 ASP A 29 8.313 -6.078 11.357 1.00 1.20 H new ATOM 412 N PHE A 30 6.732 -5.139 8.183 1.00 0.42 N ATOM 413 CA PHE A 30 6.833 -3.932 7.437 1.00 0.36 C ATOM 414 C PHE A 30 5.629 -3.048 7.764 1.00 0.32 C ATOM 415 O PHE A 30 5.442 -2.016 7.179 1.00 0.35 O ATOM 416 CB PHE A 30 6.946 -4.188 5.906 1.00 0.37 C ATOM 417 CG PHE A 30 5.693 -4.720 5.227 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.359 -6.068 5.287 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.853 -3.860 4.525 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.215 -6.535 4.664 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.716 -4.327 3.903 1.00 0.42 C ATOM 422 CZ PHE A 30 3.393 -5.654 3.971 1.00 0.46 C ATOM 0 H PHE A 30 5.774 -5.458 8.325 1.00 0.42 H new ATOM 0 HA PHE A 30 7.753 -3.423 7.724 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.230 -3.254 5.421 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.757 -4.896 5.734 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.996 -6.755 5.823 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.097 -2.809 4.467 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.961 -7.583 4.716 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.079 -3.644 3.361 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.499 -6.018 3.486 1.00 0.46 H new ATOM 432 N LEU A 31 4.833 -3.464 8.720 1.00 0.35 N ATOM 433 CA LEU A 31 3.614 -2.755 9.046 1.00 0.36 C ATOM 434 C LEU A 31 3.825 -1.591 10.012 1.00 0.39 C ATOM 435 O LEU A 31 3.175 -0.553 9.873 1.00 0.46 O ATOM 436 CB LEU A 31 2.541 -3.710 9.560 1.00 0.40 C ATOM 437 CG LEU A 31 2.072 -4.791 8.567 1.00 0.39 C ATOM 438 CD1 LEU A 31 1.023 -5.678 9.202 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.523 -4.158 7.299 1.00 0.38 C ATOM 0 H LEU A 31 5.007 -4.293 9.289 1.00 0.35 H new ATOM 0 HA LEU A 31 3.267 -2.312 8.113 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.920 -4.205 10.454 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.675 -3.123 9.864 1.00 0.40 H new ATOM 0 HG LEU A 31 2.935 -5.403 8.303 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.704 -6.435 8.485 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.443 -6.165 10.082 1.00 0.45 H new ATOM 0 HD13 LEU A 31 0.165 -5.073 9.497 1.00 0.45 H new ATOM 0 HD21 LEU A 31 1.198 -4.940 6.613 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.676 -3.519 7.549 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.301 -3.560 6.825 1.00 0.38 H new ATOM 451 N ASP A 32 4.725 -1.753 10.975 1.00 0.43 N ATOM 452 CA ASP A 32 4.933 -0.716 12.016 1.00 0.52 C ATOM 453 C ASP A 32 6.121 0.202 11.653 1.00 0.50 C ATOM 454 O ASP A 32 6.554 1.067 12.431 1.00 0.66 O ATOM 455 CB ASP A 32 5.123 -1.402 13.401 1.00 0.69 C ATOM 456 CG ASP A 32 5.116 -0.446 14.596 1.00 1.46 C ATOM 457 OD1 ASP A 32 4.145 0.336 14.747 1.00 1.95 O ATOM 458 OD2 ASP A 32 6.112 -0.404 15.351 1.00 2.20 O ATOM 0 H ASP A 32 5.322 -2.575 11.069 1.00 0.43 H new ATOM 0 HA ASP A 32 4.052 -0.077 12.071 1.00 0.52 H new ATOM 0 HB2 ASP A 32 4.331 -2.138 13.538 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.067 -1.947 13.395 1.00 0.69 H new ATOM 463 N LEU A 33 6.612 0.026 10.442 1.00 0.42 N ATOM 464 CA LEU A 33 7.707 0.819 9.927 1.00 0.50 C ATOM 465 C LEU A 33 7.167 1.908 8.955 1.00 0.45 C ATOM 466 O LEU A 33 6.015 1.836 8.536 1.00 0.57 O ATOM 467 CB LEU A 33 8.827 -0.124 9.330 1.00 0.66 C ATOM 468 CG LEU A 33 8.488 -1.087 8.199 1.00 0.80 C ATOM 469 CD1 LEU A 33 8.159 -0.352 6.907 1.00 1.52 C ATOM 470 CD2 LEU A 33 9.660 -2.017 7.993 1.00 1.18 C ATOM 0 H LEU A 33 6.261 -0.673 9.787 1.00 0.42 H new ATOM 0 HA LEU A 33 8.198 1.371 10.729 1.00 0.50 H new ATOM 0 HB2 LEU A 33 9.637 0.516 8.979 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.224 -0.718 10.153 1.00 0.66 H new ATOM 0 HG LEU A 33 7.599 -1.654 8.475 1.00 0.80 H new ATOM 0 HD11 LEU A 33 7.923 -1.076 6.127 1.00 1.52 H new ATOM 0 HD12 LEU A 33 7.301 0.301 7.068 1.00 1.52 H new ATOM 0 HD13 LEU A 33 9.017 0.246 6.600 1.00 1.52 H new ATOM 0 HD21 LEU A 33 9.434 -2.714 7.186 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.545 -1.436 7.733 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.848 -2.574 8.911 1.00 1.18 H new ATOM 482 N ARG A 34 7.980 2.897 8.617 1.00 0.43 N ATOM 483 CA ARG A 34 7.539 4.017 7.782 1.00 0.42 C ATOM 484 C ARG A 34 7.897 3.789 6.317 1.00 0.36 C ATOM 485 O ARG A 34 8.698 2.935 6.005 1.00 0.45 O ATOM 486 CB ARG A 34 8.221 5.280 8.274 1.00 0.58 C ATOM 487 CG ARG A 34 7.896 5.631 9.712 1.00 0.77 C ATOM 488 CD ARG A 34 8.855 6.680 10.255 1.00 1.08 C ATOM 489 NE ARG A 34 10.238 6.159 10.302 1.00 1.82 N ATOM 490 CZ ARG A 34 11.347 6.888 10.501 1.00 2.41 C ATOM 491 NH1 ARG A 34 11.284 8.223 10.577 1.00 2.43 N ATOM 492 NH2 ARG A 34 12.534 6.284 10.549 1.00 3.44 N ATOM 0 H ARG A 34 8.956 2.952 8.908 1.00 0.43 H new ATOM 0 HA ARG A 34 6.455 4.107 7.855 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.300 5.162 8.174 1.00 0.58 H new ATOM 0 HB3 ARG A 34 7.931 6.112 7.632 1.00 0.58 H new ATOM 0 HG2 ARG A 34 6.873 6.002 9.776 1.00 0.77 H new ATOM 0 HG3 ARG A 34 7.948 4.734 10.328 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.819 7.570 9.627 1.00 1.08 H new ATOM 0 HD3 ARG A 34 8.542 6.982 11.255 1.00 1.08 H new ATOM 0 HE ARG A 34 10.360 5.155 10.171 1.00 1.82 H new ATOM 0 HH11 ARG A 34 10.386 8.697 10.483 1.00 2.43 H new ATOM 0 HH12 ARG A 34 12.134 8.766 10.729 1.00 2.43 H new ATOM 0 HH21 ARG A 34 12.596 5.272 10.435 1.00 3.44 H new ATOM 0 HH22 ARG A 34 13.380 6.833 10.700 1.00 3.44 H new ATOM 506 N PHE A 35 7.345 4.597 5.436 1.00 0.33 N ATOM 507 CA PHE A 35 7.609 4.483 4.009 1.00 0.33 C ATOM 508 C PHE A 35 8.968 5.093 3.677 1.00 0.38 C ATOM 509 O PHE A 35 9.751 4.523 2.918 1.00 0.43 O ATOM 510 CB PHE A 35 6.500 5.148 3.194 1.00 0.34 C ATOM 511 CG PHE A 35 5.141 4.529 3.389 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.862 3.258 2.904 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.150 5.207 4.081 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.623 2.684 3.098 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.912 4.631 4.278 1.00 0.48 C ATOM 516 CZ PHE A 35 2.622 3.408 3.714 1.00 0.51 C ATOM 0 H PHE A 35 6.703 5.350 5.683 1.00 0.33 H new ATOM 0 HA PHE A 35 7.628 3.426 3.743 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.449 6.203 3.462 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.761 5.100 2.137 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.625 2.712 2.368 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.349 6.195 4.469 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.437 1.672 2.769 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.169 5.139 4.875 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.616 3.017 3.754 1.00 0.51 H new ATOM 526 N GLU A 36 9.254 6.239 4.299 1.00 0.48 N ATOM 527 CA GLU A 36 10.573 6.917 4.196 1.00 0.62 C ATOM 528 C GLU A 36 11.666 5.953 4.700 1.00 0.63 C ATOM 529 O GLU A 36 12.791 5.920 4.206 1.00 0.72 O ATOM 530 CB GLU A 36 10.544 8.177 5.110 1.00 0.83 C ATOM 531 CG GLU A 36 11.850 8.970 5.229 1.00 1.40 C ATOM 532 CD GLU A 36 12.164 9.837 4.031 1.00 1.83 C ATOM 533 OE1 GLU A 36 11.646 10.969 3.978 1.00 1.89 O ATOM 534 OE2 GLU A 36 12.977 9.444 3.166 1.00 2.73 O ATOM 0 H GLU A 36 8.586 6.733 4.891 1.00 0.48 H new ATOM 0 HA GLU A 36 10.780 7.202 3.165 1.00 0.62 H new ATOM 0 HB2 GLU A 36 9.770 8.849 4.739 1.00 0.83 H new ATOM 0 HB3 GLU A 36 10.243 7.865 6.110 1.00 0.83 H new ATOM 0 HG2 GLU A 36 11.798 9.601 6.116 1.00 1.40 H new ATOM 0 HG3 GLU A 36 12.673 8.272 5.383 1.00 1.40 H new ATOM 541 N ASP A 37 11.257 5.120 5.639 1.00 0.61 N ATOM 542 CA ASP A 37 12.128 4.186 6.343 1.00 0.70 C ATOM 543 C ASP A 37 12.520 3.010 5.425 1.00 0.69 C ATOM 544 O ASP A 37 13.575 2.418 5.581 1.00 0.82 O ATOM 545 CB ASP A 37 11.377 3.695 7.601 1.00 0.77 C ATOM 546 CG ASP A 37 12.235 3.017 8.651 1.00 0.98 C ATOM 547 OD1 ASP A 37 12.410 1.818 8.596 1.00 1.36 O ATOM 548 OD2 ASP A 37 12.662 3.712 9.620 1.00 1.27 O ATOM 0 H ASP A 37 10.285 5.070 5.944 1.00 0.61 H new ATOM 0 HA ASP A 37 13.055 4.678 6.638 1.00 0.70 H new ATOM 0 HB2 ASP A 37 10.878 4.548 8.061 1.00 0.77 H new ATOM 0 HB3 ASP A 37 10.598 2.999 7.289 1.00 0.77 H new ATOM 553 N ILE A 38 11.670 2.719 4.426 1.00 0.59 N ATOM 554 CA ILE A 38 11.935 1.625 3.482 1.00 0.63 C ATOM 555 C ILE A 38 12.323 2.127 2.095 1.00 0.63 C ATOM 556 O ILE A 38 12.328 1.366 1.121 1.00 0.66 O ATOM 557 CB ILE A 38 10.769 0.610 3.354 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.433 1.320 3.066 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.688 -0.270 4.580 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.250 0.389 2.883 1.00 0.54 C ATOM 0 H ILE A 38 10.800 3.223 4.253 1.00 0.59 H new ATOM 0 HA ILE A 38 12.784 1.100 3.920 1.00 0.63 H new ATOM 0 HB ILE A 38 10.974 -0.035 2.499 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.216 2.005 3.886 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.545 1.925 2.166 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.863 -0.974 4.469 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.622 -0.820 4.695 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.520 0.349 5.462 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.353 0.975 2.685 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.440 -0.280 2.043 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.106 -0.199 3.789 1.00 0.54 H new ATOM 572 N GLY A 39 12.697 3.385 2.018 1.00 0.63 N ATOM 573 CA GLY A 39 13.149 3.955 0.759 1.00 0.68 C ATOM 574 C GLY A 39 12.040 4.155 -0.262 1.00 0.59 C ATOM 575 O GLY A 39 12.258 3.990 -1.457 1.00 0.70 O ATOM 0 H GLY A 39 12.699 4.033 2.805 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.625 4.916 0.957 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.911 3.304 0.330 1.00 0.68 H new ATOM 579 N TYR A 40 10.864 4.478 0.198 1.00 0.45 N ATOM 580 CA TYR A 40 9.757 4.817 -0.671 1.00 0.45 C ATOM 581 C TYR A 40 9.332 6.245 -0.443 1.00 0.47 C ATOM 582 O TYR A 40 9.129 6.651 0.682 1.00 0.62 O ATOM 583 CB TYR A 40 8.565 3.853 -0.510 1.00 0.42 C ATOM 584 CG TYR A 40 8.693 2.589 -1.324 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.357 2.539 -2.667 1.00 0.57 C ATOM 586 CD2 TYR A 40 9.151 1.431 -0.720 1.00 0.53 C ATOM 587 CE1 TYR A 40 8.464 1.356 -3.379 1.00 0.68 C ATOM 588 CE2 TYR A 40 9.269 0.256 -1.410 1.00 0.60 C ATOM 589 CZ TYR A 40 8.926 0.317 -2.906 1.00 0.67 C ATOM 590 OH TYR A 40 9.029 -0.987 -3.414 1.00 0.78 O ATOM 0 H TYR A 40 10.638 4.516 1.192 1.00 0.45 H new ATOM 0 HA TYR A 40 10.106 4.712 -1.698 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.463 3.588 0.542 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.650 4.370 -0.799 1.00 0.42 H new ATOM 0 HD1 TYR A 40 8.008 3.432 -3.164 1.00 0.57 H new ATOM 0 HD2 TYR A 40 9.423 1.456 0.325 1.00 0.53 H new ATOM 0 HE1 TYR A 40 8.124 1.344 -4.404 1.00 0.68 H new ATOM 0 HE2 TYR A 40 9.584 -0.660 -0.932 1.00 0.60 H new ATOM 0 HH TYR A 40 8.139 -1.312 -3.664 1.00 0.78 H new ATOM 600 N ASP A 41 9.227 7.016 -1.513 1.00 0.55 N ATOM 601 CA ASP A 41 8.831 8.424 -1.385 1.00 0.69 C ATOM 602 C ASP A 41 7.307 8.543 -1.358 1.00 0.85 C ATOM 603 O ASP A 41 6.665 8.426 -0.325 1.00 1.62 O ATOM 604 CB ASP A 41 9.338 9.300 -2.565 1.00 0.82 C ATOM 605 CG ASP A 41 10.824 9.279 -2.812 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.581 9.875 -2.025 1.00 1.27 O ATOM 607 OD2 ASP A 41 11.239 8.755 -3.871 1.00 1.32 O ATOM 0 H ASP A 41 9.405 6.705 -2.468 1.00 0.55 H new ATOM 0 HA ASP A 41 9.280 8.780 -0.458 1.00 0.69 H new ATOM 0 HB2 ASP A 41 8.834 8.975 -3.475 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.035 10.331 -2.383 1.00 0.82 H new ATOM 612 N SER A 42 6.754 8.723 -2.534 1.00 0.50 N ATOM 613 CA SER A 42 5.350 8.917 -2.747 1.00 0.53 C ATOM 614 C SER A 42 5.005 8.401 -4.134 1.00 0.51 C ATOM 615 O SER A 42 4.077 7.646 -4.314 1.00 0.48 O ATOM 616 CB SER A 42 5.084 10.407 -2.691 1.00 0.69 C ATOM 617 OG SER A 42 6.041 11.044 -3.613 1.00 1.05 O ATOM 0 H SER A 42 7.296 8.738 -3.398 1.00 0.50 H new ATOM 0 HA SER A 42 4.756 8.393 -1.998 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.058 10.628 -2.985 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.214 10.785 -1.677 1.00 0.69 H new ATOM 622 N LEU A 43 5.800 8.833 -5.107 1.00 0.57 N ATOM 623 CA LEU A 43 5.676 8.451 -6.518 1.00 0.62 C ATOM 624 C LEU A 43 5.663 6.938 -6.675 1.00 0.56 C ATOM 625 O LEU A 43 4.686 6.363 -7.151 1.00 0.58 O ATOM 626 CB LEU A 43 6.834 9.065 -7.322 1.00 0.74 C ATOM 627 CG LEU A 43 6.882 8.775 -8.831 1.00 0.86 C ATOM 628 CD1 LEU A 43 5.656 9.324 -9.544 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.152 9.350 -9.429 1.00 1.19 C ATOM 0 H LEU A 43 6.572 9.477 -4.936 1.00 0.57 H new ATOM 0 HA LEU A 43 4.730 8.833 -6.901 1.00 0.62 H new ATOM 0 HB2 LEU A 43 6.800 10.146 -7.188 1.00 0.74 H new ATOM 0 HB3 LEU A 43 7.769 8.718 -6.883 1.00 0.74 H new ATOM 0 HG LEU A 43 6.882 7.694 -8.969 1.00 0.86 H new ATOM 0 HD11 LEU A 43 5.724 9.101 -10.609 1.00 1.40 H new ATOM 0 HD12 LEU A 43 4.759 8.862 -9.133 1.00 1.40 H new ATOM 0 HD13 LEU A 43 5.606 10.404 -9.402 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.178 9.140 -10.498 1.00 1.19 H new ATOM 0 HD22 LEU A 43 8.173 10.428 -9.270 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.019 8.895 -8.949 1.00 1.19 H new ATOM 641 N ALA A 44 6.731 6.292 -6.219 1.00 0.54 N ATOM 642 CA ALA A 44 6.846 4.843 -6.308 1.00 0.54 C ATOM 643 C ALA A 44 5.825 4.152 -5.416 1.00 0.47 C ATOM 644 O ALA A 44 5.489 3.004 -5.621 1.00 0.53 O ATOM 645 CB ALA A 44 8.256 4.397 -5.960 1.00 0.59 C ATOM 0 H ALA A 44 7.531 6.751 -5.783 1.00 0.54 H new ATOM 0 HA ALA A 44 6.637 4.552 -7.337 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.322 3.311 -6.032 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.963 4.851 -6.655 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.496 4.708 -4.943 1.00 0.59 H new ATOM 651 N LEU A 45 5.316 4.887 -4.456 1.00 0.42 N ATOM 652 CA LEU A 45 4.370 4.371 -3.498 1.00 0.38 C ATOM 653 C LEU A 45 2.963 4.388 -4.133 1.00 0.37 C ATOM 654 O LEU A 45 2.181 3.435 -3.972 1.00 0.39 O ATOM 655 CB LEU A 45 4.446 5.250 -2.231 1.00 0.35 C ATOM 656 CG LEU A 45 3.874 4.703 -0.910 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.238 5.643 0.207 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.365 4.531 -0.956 1.00 0.53 C ATOM 0 H LEU A 45 5.550 5.870 -4.317 1.00 0.42 H new ATOM 0 HA LEU A 45 4.596 3.342 -3.218 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.495 5.492 -2.061 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.934 6.187 -2.449 1.00 0.35 H new ATOM 0 HG LEU A 45 4.306 3.716 -0.744 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.837 5.264 1.147 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.323 5.719 0.280 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.818 6.628 0.005 1.00 0.38 H new ATOM 0 HD21 LEU A 45 2.014 4.143 0.000 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.895 5.495 -1.151 1.00 0.53 H new ATOM 0 HD23 LEU A 45 2.103 3.832 -1.750 1.00 0.53 H new ATOM 670 N MET A 46 2.635 5.469 -4.870 1.00 0.37 N ATOM 671 CA MET A 46 1.349 5.546 -5.542 1.00 0.40 C ATOM 672 C MET A 46 1.211 4.488 -6.619 1.00 0.35 C ATOM 673 O MET A 46 0.106 4.023 -6.899 1.00 0.36 O ATOM 674 CB MET A 46 1.042 6.935 -6.090 1.00 0.52 C ATOM 675 CG MET A 46 0.835 7.990 -5.018 1.00 0.70 C ATOM 676 SD MET A 46 0.138 9.506 -5.683 1.00 0.96 S ATOM 677 CE MET A 46 -1.409 8.874 -6.343 1.00 2.41 C ATOM 0 H MET A 46 3.239 6.280 -5.006 1.00 0.37 H new ATOM 0 HA MET A 46 0.601 5.344 -4.775 1.00 0.40 H new ATOM 0 HB2 MET A 46 1.860 7.247 -6.739 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.147 6.880 -6.709 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.174 7.596 -4.246 1.00 0.70 H new ATOM 0 HG3 MET A 46 1.789 8.210 -4.539 1.00 0.70 H new ATOM 0 HE1 MET A 46 -2.201 9.603 -6.174 1.00 2.41 H new ATOM 0 HE2 MET A 46 -1.302 8.695 -7.413 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.663 7.940 -5.843 1.00 2.41 H new ATOM 687 N GLU A 47 2.333 4.093 -7.202 1.00 0.37 N ATOM 688 CA GLU A 47 2.361 2.988 -8.160 1.00 0.39 C ATOM 689 C GLU A 47 1.838 1.698 -7.488 1.00 0.37 C ATOM 690 O GLU A 47 1.023 0.974 -8.052 1.00 0.43 O ATOM 691 CB GLU A 47 3.788 2.770 -8.651 1.00 0.48 C ATOM 692 CG GLU A 47 4.313 3.817 -9.610 1.00 0.68 C ATOM 693 CD GLU A 47 3.720 3.681 -10.998 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.831 2.583 -11.580 1.00 1.84 O ATOM 695 OE2 GLU A 47 3.239 4.668 -11.578 1.00 2.15 O ATOM 0 H GLU A 47 3.243 4.521 -7.030 1.00 0.37 H new ATOM 0 HA GLU A 47 1.722 3.233 -9.008 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.450 2.730 -7.786 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.842 1.796 -9.138 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.089 4.809 -9.218 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.398 3.737 -9.672 1.00 0.68 H new ATOM 702 N THR A 48 2.304 1.452 -6.271 1.00 0.36 N ATOM 703 CA THR A 48 1.868 0.335 -5.463 1.00 0.39 C ATOM 704 C THR A 48 0.360 0.456 -5.162 1.00 0.35 C ATOM 705 O THR A 48 -0.380 -0.517 -5.255 1.00 0.40 O ATOM 706 CB THR A 48 2.658 0.349 -4.135 1.00 0.43 C ATOM 707 OG1 THR A 48 4.062 0.409 -4.424 1.00 0.51 O ATOM 708 CG2 THR A 48 2.363 -0.904 -3.313 1.00 0.51 C ATOM 0 H THR A 48 3.006 2.035 -5.816 1.00 0.36 H new ATOM 0 HA THR A 48 2.047 -0.597 -6.000 1.00 0.39 H new ATOM 0 HB THR A 48 2.354 1.221 -3.556 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.525 0.882 -3.701 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.931 -0.871 -2.383 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.298 -0.948 -3.087 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.650 -1.788 -3.882 1.00 0.51 H new ATOM 716 N ALA A 49 -0.071 1.657 -4.794 1.00 0.31 N ATOM 717 CA ALA A 49 -1.472 1.928 -4.496 1.00 0.32 C ATOM 718 C ALA A 49 -2.367 1.626 -5.709 1.00 0.30 C ATOM 719 O ALA A 49 -3.321 0.847 -5.606 1.00 0.32 O ATOM 720 CB ALA A 49 -1.643 3.369 -4.053 1.00 0.38 C ATOM 0 H ALA A 49 0.539 2.468 -4.694 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.780 1.270 -3.683 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.693 3.560 -3.833 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.047 3.548 -3.158 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.312 4.036 -4.849 1.00 0.38 H new ATOM 726 N ALA A 50 -1.996 2.178 -6.863 1.00 0.29 N ATOM 727 CA ALA A 50 -2.771 2.033 -8.106 1.00 0.31 C ATOM 728 C ALA A 50 -2.827 0.582 -8.562 1.00 0.31 C ATOM 729 O ALA A 50 -3.800 0.155 -9.214 1.00 0.35 O ATOM 730 CB ALA A 50 -2.183 2.907 -9.202 1.00 0.39 C ATOM 0 H ALA A 50 -1.151 2.739 -6.968 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.791 2.359 -7.901 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.767 2.789 -10.115 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -2.208 3.950 -8.888 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -1.151 2.610 -9.390 1.00 0.39 H new ATOM 736 N ARG A 51 -1.789 -0.167 -8.209 1.00 0.32 N ATOM 737 CA ARG A 51 -1.682 -1.595 -8.505 1.00 0.38 C ATOM 738 C ARG A 51 -2.871 -2.319 -7.847 1.00 0.37 C ATOM 739 O ARG A 51 -3.550 -3.153 -8.462 1.00 0.47 O ATOM 740 CB ARG A 51 -0.356 -2.111 -7.904 1.00 0.49 C ATOM 741 CG ARG A 51 0.081 -3.518 -8.299 1.00 0.97 C ATOM 742 CD ARG A 51 0.470 -3.569 -9.768 1.00 0.98 C ATOM 743 NE ARG A 51 1.159 -4.817 -10.131 1.00 1.92 N ATOM 744 CZ ARG A 51 1.602 -5.120 -11.359 1.00 2.31 C ATOM 745 NH1 ARG A 51 1.408 -4.271 -12.374 1.00 2.05 N ATOM 746 NH2 ARG A 51 2.264 -6.253 -11.558 1.00 3.40 N ATOM 0 H ARG A 51 -0.985 0.204 -7.702 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.696 -1.777 -9.580 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.437 -1.418 -8.187 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.439 -2.074 -6.818 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.925 -3.828 -7.683 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -0.728 -4.222 -8.108 1.00 0.97 H new ATOM 0 HD2 ARG A 51 -0.425 -3.462 -10.380 1.00 0.98 H new ATOM 0 HD3 ARG A 51 1.116 -2.722 -9.998 1.00 0.98 H new ATOM 0 HE ARG A 51 1.311 -5.504 -9.392 1.00 1.92 H new ATOM 0 HH11 ARG A 51 0.921 -3.389 -12.215 1.00 2.05 H new ATOM 0 HH12 ARG A 51 1.747 -4.506 -13.307 1.00 2.05 H new ATOM 0 HH21 ARG A 51 2.433 -6.888 -10.778 1.00 3.40 H new ATOM 0 HH22 ARG A 51 2.603 -6.488 -12.491 1.00 3.40 H new ATOM 760 N LEU A 52 -3.147 -1.935 -6.616 1.00 0.32 N ATOM 761 CA LEU A 52 -4.214 -2.533 -5.830 1.00 0.34 C ATOM 762 C LEU A 52 -5.587 -1.942 -6.216 1.00 0.33 C ATOM 763 O LEU A 52 -6.566 -2.697 -6.385 1.00 0.40 O ATOM 764 CB LEU A 52 -3.944 -2.332 -4.329 1.00 0.35 C ATOM 765 CG LEU A 52 -2.681 -3.008 -3.778 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.453 -2.594 -2.338 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.796 -4.528 -3.882 1.00 0.39 C ATOM 0 H LEU A 52 -2.637 -1.198 -6.129 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.237 -3.602 -6.044 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -3.875 -1.262 -4.132 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.804 -2.704 -3.772 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.827 -2.687 -4.375 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.554 -3.080 -1.958 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.331 -1.512 -2.285 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.310 -2.892 -1.734 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.891 -4.989 -3.486 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.658 -4.868 -3.307 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.922 -4.813 -4.927 1.00 0.39 H new ATOM 779 N GLU A 53 -5.637 -0.597 -6.387 1.00 0.28 N ATOM 780 CA GLU A 53 -6.876 0.116 -6.753 1.00 0.29 C ATOM 781 C GLU A 53 -7.517 -0.498 -7.995 1.00 0.31 C ATOM 782 O GLU A 53 -8.695 -0.840 -7.987 1.00 0.35 O ATOM 783 CB GLU A 53 -6.610 1.589 -7.051 1.00 0.29 C ATOM 784 CG GLU A 53 -6.022 2.414 -5.936 1.00 0.35 C ATOM 785 CD GLU A 53 -5.905 3.871 -6.330 1.00 0.41 C ATOM 786 OE1 GLU A 53 -4.968 4.212 -7.067 1.00 0.53 O ATOM 787 OE2 GLU A 53 -6.722 4.695 -5.881 1.00 0.51 O ATOM 0 H GLU A 53 -4.827 0.013 -6.276 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.545 0.026 -5.897 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.937 1.646 -7.907 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.550 2.049 -7.354 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -6.646 2.325 -5.047 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.038 2.026 -5.674 1.00 0.35 H new ATOM 794 N SER A 54 -6.732 -0.660 -9.042 1.00 0.35 N ATOM 795 CA SER A 54 -7.227 -1.157 -10.321 1.00 0.43 C ATOM 796 C SER A 54 -7.705 -2.619 -10.223 1.00 0.47 C ATOM 797 O SER A 54 -8.661 -3.023 -10.881 1.00 0.61 O ATOM 798 CB SER A 54 -6.117 -1.018 -11.353 1.00 0.49 C ATOM 799 OG SER A 54 -5.608 0.318 -11.356 1.00 1.16 O ATOM 0 H SER A 54 -5.733 -0.452 -9.035 1.00 0.35 H new ATOM 0 HA SER A 54 -8.093 -0.567 -10.621 1.00 0.43 H new ATOM 0 HB2 SER A 54 -5.314 -1.720 -11.130 1.00 0.49 H new ATOM 0 HB3 SER A 54 -6.497 -1.272 -12.343 1.00 0.49 H new ATOM 0 HG SER A 54 -4.947 0.418 -10.640 1.00 1.16 H new ATOM 805 N ARG A 55 -7.067 -3.381 -9.359 1.00 0.40 N ATOM 806 CA ARG A 55 -7.396 -4.781 -9.208 1.00 0.46 C ATOM 807 C ARG A 55 -8.715 -4.988 -8.453 1.00 0.47 C ATOM 808 O ARG A 55 -9.555 -5.786 -8.875 1.00 0.57 O ATOM 809 CB ARG A 55 -6.238 -5.526 -8.542 1.00 0.50 C ATOM 810 CG ARG A 55 -6.518 -6.985 -8.217 1.00 0.61 C ATOM 811 CD ARG A 55 -5.311 -7.623 -7.589 1.00 0.75 C ATOM 812 NE ARG A 55 -5.607 -8.922 -6.980 1.00 1.28 N ATOM 813 CZ ARG A 55 -4.807 -9.496 -6.092 1.00 1.65 C ATOM 814 NH1 ARG A 55 -3.611 -9.002 -5.893 1.00 1.46 N ATOM 815 NH2 ARG A 55 -5.185 -10.582 -5.424 1.00 2.65 N ATOM 0 H ARG A 55 -6.317 -3.053 -8.751 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.547 -5.199 -10.203 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.368 -5.475 -9.197 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.974 -5.008 -7.620 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -7.369 -7.056 -7.539 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.789 -7.521 -9.126 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.537 -7.750 -8.346 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.906 -6.954 -6.829 1.00 0.75 H new ATOM 0 HE ARG A 55 -6.464 -9.405 -7.250 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -3.303 -8.184 -6.419 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -2.987 -9.435 -5.212 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -6.105 -10.989 -5.591 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -4.554 -11.008 -4.745 1.00 2.65 H new ATOM 829 N TYR A 56 -8.894 -4.283 -7.362 1.00 0.42 N ATOM 830 CA TYR A 56 -10.107 -4.436 -6.561 1.00 0.47 C ATOM 831 C TYR A 56 -11.211 -3.478 -6.982 1.00 0.50 C ATOM 832 O TYR A 56 -12.362 -3.654 -6.610 1.00 0.67 O ATOM 833 CB TYR A 56 -9.803 -4.325 -5.063 1.00 0.52 C ATOM 834 CG TYR A 56 -9.010 -5.508 -4.534 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.641 -6.639 -4.032 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.621 -5.471 -4.513 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.905 -7.691 -3.536 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.881 -6.519 -4.022 1.00 0.65 C ATOM 839 CZ TYR A 56 -7.605 -7.712 -3.603 1.00 0.67 C ATOM 840 OH TYR A 56 -6.788 -8.676 -3.036 1.00 0.79 O ATOM 0 H TYR A 56 -8.227 -3.600 -7.002 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.484 -5.441 -6.751 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -9.245 -3.407 -4.877 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.740 -4.246 -4.512 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.720 -6.693 -4.031 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -7.111 -4.597 -4.892 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -9.420 -8.522 -3.078 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.805 -6.461 -3.949 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.851 -8.466 -3.230 1.00 0.79 H new ATOM 850 N GLY A 57 -10.858 -2.488 -7.762 1.00 0.41 N ATOM 851 CA GLY A 57 -11.830 -1.527 -8.234 1.00 0.45 C ATOM 852 C GLY A 57 -12.098 -0.458 -7.221 1.00 0.46 C ATOM 853 O GLY A 57 -13.251 -0.171 -6.915 1.00 0.61 O ATOM 0 H GLY A 57 -9.905 -2.324 -8.085 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.471 -1.071 -9.156 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.761 -2.041 -8.474 1.00 0.45 H new ATOM 857 N VAL A 58 -11.037 0.129 -6.686 1.00 0.38 N ATOM 858 CA VAL A 58 -11.183 1.145 -5.657 1.00 0.42 C ATOM 859 C VAL A 58 -10.552 2.473 -6.103 1.00 0.45 C ATOM 860 O VAL A 58 -10.016 2.557 -7.199 1.00 0.51 O ATOM 861 CB VAL A 58 -10.614 0.699 -4.248 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.935 -0.735 -3.953 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.116 0.943 -4.054 1.00 0.57 C ATOM 0 H VAL A 58 -10.073 -0.080 -6.946 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.255 1.288 -5.523 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.124 1.348 -3.536 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.529 -1.006 -2.978 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -12.016 -0.872 -3.946 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.493 -1.372 -4.720 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.818 0.606 -3.061 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.557 0.389 -4.808 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.905 2.008 -4.155 1.00 0.57 H new ATOM 873 N SER A 59 -10.608 3.481 -5.244 1.00 0.51 N ATOM 874 CA SER A 59 -10.021 4.775 -5.514 1.00 0.61 C ATOM 875 C SER A 59 -9.614 5.393 -4.168 1.00 0.56 C ATOM 876 O SER A 59 -10.444 5.496 -3.242 1.00 0.63 O ATOM 877 CB SER A 59 -11.048 5.666 -6.270 1.00 0.84 C ATOM 878 OG SER A 59 -10.489 6.912 -6.711 1.00 1.59 O ATOM 0 H SER A 59 -11.067 3.418 -4.335 1.00 0.51 H new ATOM 0 HA SER A 59 -9.139 4.687 -6.149 1.00 0.61 H new ATOM 0 HB2 SER A 59 -11.430 5.120 -7.132 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.898 5.866 -5.617 1.00 0.84 H new ATOM 0 HG SER A 59 -11.175 7.431 -7.180 1.00 1.59 H new ATOM 884 N ILE A 60 -8.358 5.716 -4.043 1.00 0.50 N ATOM 885 CA ILE A 60 -7.807 6.328 -2.846 1.00 0.48 C ATOM 886 C ILE A 60 -8.108 7.846 -2.799 1.00 0.53 C ATOM 887 O ILE A 60 -7.867 8.567 -3.766 1.00 0.63 O ATOM 888 CB ILE A 60 -6.260 6.078 -2.782 1.00 0.48 C ATOM 889 CG1 ILE A 60 -5.952 4.585 -2.527 1.00 0.64 C ATOM 890 CG2 ILE A 60 -5.562 6.962 -1.745 1.00 0.53 C ATOM 891 CD1 ILE A 60 -6.526 4.044 -1.221 1.00 0.75 C ATOM 0 H ILE A 60 -7.668 5.563 -4.778 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.282 5.868 -1.980 1.00 0.48 H new ATOM 0 HB ILE A 60 -5.858 6.356 -3.756 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.347 3.997 -3.356 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -4.871 4.444 -2.522 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.493 6.747 -1.744 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.721 8.011 -1.995 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -5.974 6.758 -0.757 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.265 2.991 -1.118 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -6.113 4.604 -0.382 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -7.611 4.150 -1.229 1.00 0.75 H new ATOM 903 N PRO A 61 -8.651 8.327 -1.657 1.00 0.65 N ATOM 904 CA PRO A 61 -8.957 9.742 -1.469 1.00 0.77 C ATOM 905 C PRO A 61 -7.686 10.581 -1.176 1.00 0.65 C ATOM 906 O PRO A 61 -6.788 10.145 -0.441 1.00 0.57 O ATOM 907 CB PRO A 61 -9.910 9.766 -0.272 1.00 0.97 C ATOM 908 CG PRO A 61 -9.788 8.434 0.408 1.00 1.08 C ATOM 909 CD PRO A 61 -8.981 7.524 -0.479 1.00 0.83 C ATOM 0 HA PRO A 61 -9.390 10.182 -2.367 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.651 10.574 0.412 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.935 9.941 -0.598 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -9.304 8.546 1.378 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -10.775 8.009 0.591 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -8.079 7.179 0.027 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -9.551 6.637 -0.755 1.00 0.83 H new ATOM 917 N ASP A 62 -7.663 11.797 -1.689 1.00 0.74 N ATOM 918 CA ASP A 62 -6.473 12.664 -1.656 1.00 0.73 C ATOM 919 C ASP A 62 -6.028 13.091 -0.233 1.00 0.62 C ATOM 920 O ASP A 62 -4.892 12.795 0.168 1.00 0.64 O ATOM 921 CB ASP A 62 -6.645 13.873 -2.600 1.00 0.93 C ATOM 922 CG ASP A 62 -7.800 14.787 -2.230 1.00 1.44 C ATOM 923 OD1 ASP A 62 -8.957 14.326 -2.234 1.00 1.92 O ATOM 924 OD2 ASP A 62 -7.554 15.987 -1.962 1.00 2.07 O ATOM 0 H ASP A 62 -8.468 12.225 -2.146 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.650 12.052 -2.025 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -5.722 14.453 -2.602 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -6.795 13.509 -3.616 1.00 0.93 H new ATOM 929 N ASP A 63 -6.913 13.743 0.544 1.00 0.63 N ATOM 930 CA ASP A 63 -6.560 14.189 1.920 1.00 0.61 C ATOM 931 C ASP A 63 -6.164 13.029 2.807 1.00 0.59 C ATOM 932 O ASP A 63 -5.294 13.156 3.683 1.00 0.64 O ATOM 933 CB ASP A 63 -7.708 14.916 2.625 1.00 0.77 C ATOM 934 CG ASP A 63 -7.972 16.336 2.177 1.00 1.36 C ATOM 935 OD1 ASP A 63 -7.008 17.134 2.134 1.00 2.10 O ATOM 936 OD2 ASP A 63 -9.104 16.648 1.753 1.00 2.00 O ATOM 0 H ASP A 63 -7.864 13.973 0.256 1.00 0.63 H new ATOM 0 HA ASP A 63 -5.722 14.872 1.778 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -8.620 14.336 2.482 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -7.501 14.927 3.695 1.00 0.77 H new ATOM 941 N VAL A 64 -6.771 11.890 2.559 1.00 0.62 N ATOM 942 CA VAL A 64 -6.585 10.720 3.395 1.00 0.69 C ATOM 943 C VAL A 64 -5.232 10.036 3.123 1.00 0.67 C ATOM 944 O VAL A 64 -4.713 9.305 3.967 1.00 0.78 O ATOM 945 CB VAL A 64 -7.776 9.722 3.249 1.00 0.82 C ATOM 946 CG1 VAL A 64 -7.654 8.542 4.191 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.104 10.438 3.465 1.00 0.90 C ATOM 0 H VAL A 64 -7.407 11.746 1.774 1.00 0.62 H new ATOM 0 HA VAL A 64 -6.569 11.058 4.431 1.00 0.69 H new ATOM 0 HB VAL A 64 -7.743 9.330 2.232 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -8.506 7.876 4.052 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -6.732 8.001 3.979 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -7.637 8.899 5.221 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -9.923 9.726 3.359 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.126 10.870 4.465 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.215 11.231 2.725 1.00 0.90 H new ATOM 957 N ALA A 65 -4.617 10.370 1.994 1.00 0.61 N ATOM 958 CA ALA A 65 -3.317 9.811 1.643 1.00 0.67 C ATOM 959 C ALA A 65 -2.241 10.356 2.574 1.00 0.64 C ATOM 960 O ALA A 65 -1.229 9.725 2.813 1.00 0.74 O ATOM 961 CB ALA A 65 -2.974 10.104 0.191 1.00 0.77 C ATOM 0 H ALA A 65 -4.996 11.023 1.308 1.00 0.61 H new ATOM 0 HA ALA A 65 -3.364 8.729 1.763 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.000 9.677 -0.046 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -3.731 9.663 -0.458 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -2.945 11.182 0.034 1.00 0.77 H new ATOM 967 N GLY A 66 -2.510 11.522 3.144 1.00 0.58 N ATOM 968 CA GLY A 66 -1.578 12.118 4.076 1.00 0.66 C ATOM 969 C GLY A 66 -1.798 11.626 5.504 1.00 0.68 C ATOM 970 O GLY A 66 -1.289 12.207 6.448 1.00 0.86 O ATOM 0 H GLY A 66 -3.357 12.065 2.977 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.559 11.886 3.767 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.681 13.203 4.047 1.00 0.66 H new ATOM 974 N ARG A 67 -2.593 10.582 5.665 1.00 0.64 N ATOM 975 CA ARG A 67 -2.870 10.021 6.988 1.00 0.79 C ATOM 976 C ARG A 67 -2.234 8.655 7.176 1.00 0.77 C ATOM 977 O ARG A 67 -2.450 8.006 8.196 1.00 0.95 O ATOM 978 CB ARG A 67 -4.384 9.948 7.285 1.00 0.94 C ATOM 979 CG ARG A 67 -4.996 11.235 7.842 1.00 1.12 C ATOM 980 CD ARG A 67 -4.976 12.413 6.873 1.00 1.40 C ATOM 981 NE ARG A 67 -5.454 13.648 7.525 1.00 1.89 N ATOM 982 CZ ARG A 67 -5.251 14.897 7.054 1.00 2.51 C ATOM 983 NH1 ARG A 67 -4.764 15.067 5.828 1.00 2.93 N ATOM 984 NH2 ARG A 67 -5.592 15.965 7.787 1.00 3.22 N ATOM 0 H ARG A 67 -3.062 10.101 4.898 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.417 10.707 7.704 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.907 9.683 6.366 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -4.561 9.142 7.997 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -6.028 11.036 8.132 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -4.459 11.516 8.748 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -3.963 12.564 6.501 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -5.603 12.188 6.010 1.00 1.40 H new ATOM 0 HE ARG A 67 -5.976 13.551 8.396 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -4.546 14.256 5.249 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -4.609 16.008 5.467 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -6.009 15.839 8.709 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -5.435 16.905 7.423 1.00 3.22 H new ATOM 998 N VAL A 68 -1.461 8.219 6.215 1.00 0.62 N ATOM 999 CA VAL A 68 -0.819 6.926 6.319 1.00 0.66 C ATOM 1000 C VAL A 68 0.694 7.074 6.473 1.00 0.67 C ATOM 1001 O VAL A 68 1.401 7.450 5.537 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.199 5.976 5.122 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.689 5.648 5.154 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.834 6.580 3.768 1.00 0.64 C ATOM 0 H VAL A 68 -1.259 8.732 5.357 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.196 6.448 7.223 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.620 5.061 5.245 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.935 4.991 4.320 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.932 5.150 6.093 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.266 6.569 5.072 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -1.115 5.889 2.974 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.366 7.522 3.634 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.240 6.761 3.728 1.00 0.64 H new ATOM 1014 N ASP A 69 1.180 6.858 7.685 1.00 0.54 N ATOM 1015 CA ASP A 69 2.610 6.918 7.931 1.00 0.64 C ATOM 1016 C ASP A 69 3.173 5.542 7.777 1.00 0.50 C ATOM 1017 O ASP A 69 4.312 5.363 7.322 1.00 0.54 O ATOM 1018 CB ASP A 69 2.973 7.420 9.345 1.00 0.99 C ATOM 1019 CG ASP A 69 2.624 8.865 9.639 1.00 1.11 C ATOM 1020 OD1 ASP A 69 3.014 9.770 8.863 1.00 1.37 O ATOM 1021 OD2 ASP A 69 2.033 9.132 10.719 1.00 1.84 O ATOM 0 H ASP A 69 0.612 6.642 8.504 1.00 0.54 H new ATOM 0 HA ASP A 69 3.025 7.627 7.215 1.00 0.64 H new ATOM 0 HB2 ASP A 69 2.469 6.788 10.076 1.00 0.99 H new ATOM 0 HB3 ASP A 69 4.045 7.287 9.494 1.00 0.99 H new ATOM 1026 N THR A 70 2.366 4.569 8.155 1.00 0.43 N ATOM 1027 CA THR A 70 2.751 3.177 8.123 1.00 0.37 C ATOM 1028 C THR A 70 1.841 2.379 7.169 1.00 0.33 C ATOM 1029 O THR A 70 0.667 2.749 6.965 1.00 0.34 O ATOM 1030 CB THR A 70 2.645 2.558 9.542 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.302 2.712 10.046 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.616 3.221 10.505 1.00 0.44 C ATOM 0 H THR A 70 1.418 4.727 8.495 1.00 0.43 H new ATOM 0 HA THR A 70 3.781 3.125 7.770 1.00 0.37 H new ATOM 0 HB THR A 70 2.896 1.500 9.465 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.278 2.465 10.994 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.518 2.766 11.491 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.635 3.088 10.143 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.391 4.285 10.573 1.00 0.44 H new ATOM 1040 N PRO A 71 2.359 1.274 6.559 1.00 0.32 N ATOM 1041 CA PRO A 71 1.561 0.354 5.706 1.00 0.31 C ATOM 1042 C PRO A 71 0.347 -0.205 6.451 1.00 0.29 C ATOM 1043 O PRO A 71 -0.679 -0.551 5.842 1.00 0.33 O ATOM 1044 CB PRO A 71 2.559 -0.776 5.392 1.00 0.34 C ATOM 1045 CG PRO A 71 3.864 -0.086 5.416 1.00 0.38 C ATOM 1046 CD PRO A 71 3.782 0.871 6.578 1.00 0.36 C ATOM 0 HA PRO A 71 1.158 0.849 4.823 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.511 -1.574 6.133 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.361 -1.231 4.421 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.682 -0.795 5.546 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.047 0.444 4.481 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.056 0.392 7.518 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.448 1.725 6.449 1.00 0.36 H new ATOM 1054 N ARG A 72 0.476 -0.268 7.777 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.581 -0.696 8.683 1.00 0.34 C ATOM 1056 C ARG A 72 -1.842 0.124 8.432 1.00 0.36 C ATOM 1057 O ARG A 72 -2.929 -0.413 8.254 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.117 -0.446 10.127 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.156 -0.748 11.197 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.694 -0.245 12.561 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.510 1.231 12.577 1.00 0.75 N ATOM 1062 CZ ARG A 72 -0.222 1.957 13.675 1.00 0.98 C ATOM 1063 NH1 ARG A 72 0.066 1.335 14.822 1.00 1.38 N ATOM 1064 NH2 ARG A 72 -0.179 3.294 13.605 1.00 1.16 N ATOM 0 H ARG A 72 1.340 -0.016 8.258 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.794 -1.753 8.521 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.768 -1.053 10.319 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.186 0.597 10.220 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.103 -0.278 10.933 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.335 -1.822 11.243 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.425 -0.528 13.318 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.245 -0.730 12.828 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.609 1.730 11.693 1.00 0.75 H new ATOM 0 HH11 ARG A 72 0.067 0.316 14.863 1.00 1.38 H new ATOM 0 HH12 ARG A 72 0.285 1.879 15.656 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -0.365 3.765 12.719 1.00 1.16 H new ATOM 0 HH22 ARG A 72 0.039 3.842 14.437 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.661 1.424 8.396 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.755 2.363 8.260 1.00 0.42 C ATOM 1080 C GLU A 73 -3.286 2.364 6.833 1.00 0.40 C ATOM 1081 O GLU A 73 -4.480 2.560 6.600 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.257 3.742 8.686 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.735 3.730 10.113 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.885 4.922 10.461 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.048 5.240 9.695 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.231 5.625 11.435 1.00 1.33 O ATOM 0 H GLU A 73 -0.744 1.865 8.461 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.588 2.073 8.901 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.466 4.069 8.011 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -3.068 4.465 8.600 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.581 3.687 10.799 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.152 2.822 10.269 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.394 2.085 5.885 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.755 2.038 4.476 1.00 0.43 C ATOM 1095 C LEU A 74 -3.699 0.843 4.255 1.00 0.41 C ATOM 1096 O LEU A 74 -4.696 0.936 3.523 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.473 1.891 3.621 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.499 2.390 2.150 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -0.136 2.210 1.506 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.559 1.703 1.309 1.00 1.10 C ATOM 0 H LEU A 74 -1.411 1.887 6.072 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.261 2.956 4.178 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.670 2.419 4.135 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -1.203 0.835 3.608 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.755 3.449 2.187 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -0.171 2.564 0.476 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.607 2.782 2.062 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.135 1.154 1.518 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.527 2.095 0.292 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -2.370 0.630 1.291 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.543 1.891 1.739 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.391 -0.265 4.917 1.00 0.41 N ATOM 1113 CA LEU A 75 -4.201 -1.478 4.811 1.00 0.41 C ATOM 1114 C LEU A 75 -5.616 -1.219 5.343 1.00 0.39 C ATOM 1115 O LEU A 75 -6.612 -1.579 4.686 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.545 -2.645 5.569 1.00 0.46 C ATOM 1117 CG LEU A 75 -4.230 -4.025 5.438 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.173 -4.521 3.999 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.571 -5.029 6.371 1.00 0.54 C ATOM 0 H LEU A 75 -2.584 -0.351 5.535 1.00 0.41 H new ATOM 0 HA LEU A 75 -4.268 -1.755 3.759 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.516 -2.741 5.223 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.503 -2.384 6.626 1.00 0.46 H new ATOM 0 HG LEU A 75 -5.277 -3.918 5.721 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.661 -5.493 3.930 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.685 -3.811 3.349 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -3.133 -4.614 3.687 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -4.062 -5.997 6.270 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.517 -5.128 6.113 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.661 -4.683 7.401 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.698 -0.557 6.515 1.00 0.44 N ATOM 1132 CA ASP A 76 -7.002 -0.209 7.144 1.00 0.48 C ATOM 1133 C ASP A 76 -7.832 0.628 6.196 1.00 0.40 C ATOM 1134 O ASP A 76 -8.998 0.345 5.972 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.820 0.557 8.471 1.00 0.66 C ATOM 1136 CG ASP A 76 -8.150 0.902 9.178 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.770 1.929 8.826 1.00 1.89 O ATOM 1138 OD2 ASP A 76 -8.609 0.138 10.059 1.00 1.08 O ATOM 0 H ASP A 76 -4.884 -0.251 7.048 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.513 -1.147 7.361 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -6.206 -0.041 9.144 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -6.273 1.479 8.276 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.187 1.617 5.604 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.796 2.513 4.630 1.00 0.38 C ATOM 1145 C LEU A 77 -8.460 1.745 3.470 1.00 0.33 C ATOM 1146 O LEU A 77 -9.648 1.956 3.174 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.737 3.501 4.101 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.140 4.392 2.923 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.353 5.219 3.268 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -5.982 5.299 2.537 1.00 1.24 C ATOM 0 H LEU A 77 -6.206 1.826 5.789 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.588 3.068 5.132 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.435 4.147 4.926 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.858 2.928 3.806 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.391 3.752 2.077 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.621 5.844 2.416 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -9.186 4.559 3.511 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -8.130 5.852 4.127 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.277 5.929 1.698 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.713 5.927 3.386 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.124 4.691 2.250 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.729 0.834 2.857 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.265 0.103 1.719 1.00 0.32 C ATOM 1164 C ILE A 78 -9.328 -0.896 2.164 1.00 0.29 C ATOM 1165 O ILE A 78 -10.395 -0.988 1.553 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.157 -0.590 0.872 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.187 0.470 0.312 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.780 -1.402 -0.280 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.106 -0.078 -0.615 1.00 0.63 C ATOM 0 H ILE A 78 -6.776 0.583 3.121 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.736 0.838 1.067 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.605 -1.276 1.515 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -6.764 1.220 -0.229 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.706 0.979 1.147 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.989 -1.878 -0.859 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.440 -2.167 0.129 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.352 -0.737 -0.926 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.473 0.740 -0.959 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.499 -0.805 -0.076 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.573 -0.560 -1.473 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.056 -1.597 3.258 1.00 0.30 N ATOM 1182 CA ASN A 79 -10.007 -2.566 3.816 1.00 0.33 C ATOM 1183 C ASN A 79 -11.319 -1.886 4.200 1.00 0.37 C ATOM 1184 O ASN A 79 -12.402 -2.402 3.909 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.424 -3.305 5.041 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.446 -4.445 4.738 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -8.335 -5.394 5.517 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.743 -4.393 3.625 1.00 0.55 N ATOM 0 H ASN A 79 -8.184 -1.516 3.781 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.202 -3.302 3.036 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.916 -2.576 5.672 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.252 -3.709 5.624 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.094 -5.146 3.396 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.848 -3.600 2.992 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.209 -0.726 4.821 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.361 0.019 5.240 1.00 0.46 C ATOM 1197 C GLY A 80 -13.160 0.561 4.080 1.00 0.47 C ATOM 1198 O GLY A 80 -14.395 0.529 4.106 1.00 0.57 O ATOM 0 H GLY A 80 -10.318 -0.283 5.044 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -13.000 -0.621 5.848 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -12.042 0.846 5.874 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.474 1.041 3.045 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.155 1.610 1.897 1.00 0.49 C ATOM 1204 C ALA A 81 -13.929 0.530 1.152 1.00 0.54 C ATOM 1205 O ALA A 81 -15.048 0.762 0.689 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.159 2.314 0.996 1.00 0.49 C ATOM 0 H ALA A 81 -11.456 1.045 2.982 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.876 2.353 2.238 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.681 2.737 0.138 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.667 3.112 1.551 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.412 1.599 0.650 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.343 -0.677 1.087 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.002 -1.852 0.489 1.00 0.57 C ATOM 1214 C LEU A 82 -15.310 -2.172 1.194 1.00 0.70 C ATOM 1215 O LEU A 82 -16.320 -2.461 0.552 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.092 -3.075 0.550 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.897 -3.086 -0.391 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.991 -4.260 -0.063 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.373 -3.186 -1.836 1.00 0.63 C ATOM 0 H LEU A 82 -12.406 -0.866 1.444 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.211 -1.606 -0.552 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.722 -3.173 1.571 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.696 -3.959 0.343 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.338 -2.159 -0.265 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.137 -4.261 -0.741 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.638 -4.171 0.965 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.546 -5.191 -0.177 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -11.511 -3.193 -2.503 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.942 -4.106 -1.969 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -13.006 -2.330 -2.071 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.297 -2.075 2.509 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.463 -2.387 3.330 1.00 0.87 C ATOM 1233 C ALA A 83 -17.615 -1.415 3.076 1.00 1.01 C ATOM 1234 O ALA A 83 -18.780 -1.776 3.239 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.099 -2.396 4.805 1.00 0.90 C ATOM 0 H ALA A 83 -14.481 -1.778 3.044 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.799 -3.384 3.044 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -16.984 -2.631 5.397 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.331 -3.148 4.986 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.720 -1.415 5.092 1.00 0.90 H new ATOM 1241 N GLU A 84 -17.295 -0.205 2.660 1.00 0.95 N ATOM 1242 CA GLU A 84 -18.313 0.788 2.386 1.00 1.11 C ATOM 1243 C GLU A 84 -18.762 0.704 0.905 1.00 1.18 C ATOM 1244 O GLU A 84 -19.767 1.297 0.513 1.00 1.36 O ATOM 1245 CB GLU A 84 -17.805 2.202 2.746 1.00 1.15 C ATOM 1246 CG GLU A 84 -18.882 3.275 2.717 1.00 1.57 C ATOM 1247 CD GLU A 84 -18.389 4.655 3.082 1.00 1.76 C ATOM 1248 OE1 GLU A 84 -17.883 5.379 2.186 1.00 1.86 O ATOM 1249 OE2 GLU A 84 -18.573 5.072 4.244 1.00 2.49 O ATOM 0 H GLU A 84 -16.338 0.113 2.505 1.00 0.95 H new ATOM 0 HA GLU A 84 -19.182 0.583 3.011 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -17.361 2.174 3.741 1.00 1.15 H new ATOM 0 HB3 GLU A 84 -17.012 2.479 2.051 1.00 1.15 H new ATOM 0 HG2 GLU A 84 -19.319 3.309 1.719 1.00 1.57 H new ATOM 0 HG3 GLU A 84 -19.680 2.992 3.404 1.00 1.57 H new ATOM 1256 N ALA A 85 -18.029 -0.059 0.095 1.00 1.15 N ATOM 1257 CA ALA A 85 -18.354 -0.214 -1.330 1.00 1.34 C ATOM 1258 C ALA A 85 -19.302 -1.403 -1.570 1.00 1.47 C ATOM 1259 O ALA A 85 -19.899 -1.520 -2.656 1.00 1.86 O ATOM 1260 CB ALA A 85 -17.088 -0.344 -2.161 1.00 1.37 C ATOM 0 H ALA A 85 -17.206 -0.581 0.397 1.00 1.15 H new ATOM 0 HA ALA A 85 -18.879 0.687 -1.649 1.00 1.34 H new ATOM 0 HB1 ALA A 85 -17.353 -0.458 -3.212 1.00 1.37 H new ATOM 0 HB2 ALA A 85 -16.477 0.550 -2.035 1.00 1.37 H new ATOM 0 HB3 ALA A 85 -16.525 -1.218 -1.832 1.00 1.37 H new ATOM 1266 N ALA A 86 -19.391 -2.282 -0.562 1.00 1.53 N ATOM 1267 CA ALA A 86 -20.306 -3.443 -0.538 1.00 1.70 C ATOM 1268 C ALA A 86 -20.144 -4.369 -1.757 1.00 2.36 C ATOM 1269 O ALA A 86 -19.097 -5.038 -1.873 1.00 2.86 O ATOM 1270 CB ALA A 86 -21.760 -2.973 -0.390 1.00 2.39 C ATOM 1271 OXT ALA A 86 -21.072 -4.470 -2.585 1.00 3.03 O ATOM 0 H ALA A 86 -18.819 -2.208 0.279 1.00 1.53 H new ATOM 0 HA ALA A 86 -20.034 -4.041 0.331 1.00 1.70 H new ATOM 0 HB1 ALA A 86 -22.422 -3.839 -0.374 1.00 2.39 H new ATOM 0 HB2 ALA A 86 -21.869 -2.415 0.540 1.00 2.39 H new ATOM 0 HB3 ALA A 86 -22.022 -2.331 -1.231 1.00 2.39 H new TER 1277 ALA A 86 HETATM 1278 P24 SXR A 101 5.768 12.464 -4.156 1.00 1.19 P HETATM 1279 O26 SXR A 101 6.812 12.723 -5.275 1.00 1.72 O HETATM 1280 O23 SXR A 101 5.708 13.456 -2.974 1.00 1.83 O HETATM 1281 O27 SXR A 101 4.358 12.446 -4.824 1.00 1.31 O HETATM 1282 C28 SXR A 101 4.072 11.521 -5.946 1.00 1.24 C HETATM 1283 C29 SXR A 101 3.234 12.224 -7.032 1.00 1.82 C HETATM 1284 C30 SXR A 101 2.765 11.156 -8.004 1.00 2.42 C HETATM 1285 C31 SXR A 101 2.011 12.897 -6.366 1.00 1.85 C HETATM 1286 C32 SXR A 101 4.175 13.331 -7.777 1.00 2.74 C HETATM 1287 O33 SXR A 101 4.372 14.474 -6.920 1.00 3.00 O HETATM 1288 C34 SXR A 101 3.584 13.864 -9.113 1.00 3.44 C HETATM 1289 O35 SXR A 101 4.293 13.939 -10.122 1.00 3.88 O HETATM 1290 N36 SXR A 101 2.333 14.211 -9.106 1.00 3.90 N HETATM 1291 C37 SXR A 101 1.567 14.736 -10.244 1.00 4.60 C HETATM 1292 C38 SXR A 101 0.066 14.721 -9.944 1.00 4.73 C HETATM 1293 C39 SXR A 101 -0.383 13.353 -9.470 1.00 4.02 C HETATM 1294 O40 SXR A 101 -0.050 12.319 -10.058 1.00 4.42 O HETATM 1295 N41 SXR A 101 -1.136 13.352 -8.392 1.00 3.33 N HETATM 1296 C42 SXR A 101 -1.629 12.147 -7.773 1.00 2.88 C HETATM 1297 C43 SXR A 101 -2.939 12.350 -7.017 1.00 2.85 C HETATM 1298 S1 SXR A 101 -2.794 13.669 -5.901 1.00 3.15 S HETATM 1299 C11 SXR A 101 1.892 9.975 0.165 1.00 2.09 C HETATM 1300 C10 SXR A 101 1.959 8.939 1.096 1.00 2.05 C HETATM 1301 C9 SXR A 101 1.235 7.766 0.887 1.00 1.91 C HETATM 1302 C8 SXR A 101 0.439 7.631 -0.257 1.00 2.19 C HETATM 1303 C7 SXR A 101 0.371 8.670 -1.185 1.00 2.18 C HETATM 1304 C6 SXR A 101 1.099 9.855 -0.983 1.00 1.95 C HETATM 1305 C5 SXR A 101 1.033 10.973 -1.971 1.00 2.57 C HETATM 1306 C4 SXR A 101 -0.350 11.212 -2.530 1.00 2.29 C HETATM 1307 C3 SXR A 101 -0.816 12.673 -2.470 1.00 2.88 C HETATM 1308 O3 SXR A 101 -0.294 13.481 -1.675 1.00 3.69 O HETATM 1309 C2 SXR A 101 -1.901 13.149 -3.403 1.00 2.88 C HETATM 1310 C1 SXR A 101 -1.518 13.116 -4.872 1.00 2.84 C