USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 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 75:sc= 2.02 USER MOD Set 1.2: A 48 THR OG1 : rot -29:sc= 0.715 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.115 (180deg=-0.0175) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -49:sc= 1.02 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 21 THR OG1 : rot 120:sc= -1.24 USER MOD Single : A 24 THR OG1 : rot -150:sc= -1.73! USER MOD Single : A 27 SER OG : rot 180:sc= 0.262 USER MOD Single : A 40 TYR OH : rot -168:sc= -0.136! USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 80:sc= 1.25 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 79 ASN : amide:sc= 0.326 K(o=0.33,f=-0.42) USER MOD Single : A 87 SXV O33 : rot 4:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.843 -7.977 -2.004 1.00 2.87 N ATOM 2 CA MET A 1 19.524 -8.370 -2.505 1.00 2.67 C ATOM 3 C MET A 1 18.456 -7.694 -1.685 1.00 2.47 C ATOM 4 O MET A 1 18.719 -7.254 -0.571 1.00 2.83 O ATOM 5 CB MET A 1 19.328 -9.902 -2.488 1.00 3.14 C ATOM 6 CG MET A 1 20.248 -10.661 -3.436 1.00 3.63 C ATOM 7 SD MET A 1 19.961 -12.449 -3.419 1.00 4.48 S ATOM 8 CE MET A 1 21.155 -12.988 -4.648 1.00 5.01 C ATOM 0 H1 MET A 1 21.362 -7.474 -2.751 1.00 2.87 H new ATOM 0 H2 MET A 1 20.729 -7.352 -1.180 1.00 2.87 H new ATOM 0 H3 MET A 1 21.375 -8.826 -1.724 1.00 2.87 H new ATOM 0 HA MET A 1 19.449 -8.052 -3.545 1.00 2.67 H new ATOM 0 HB2 MET A 1 19.490 -10.266 -1.474 1.00 3.14 H new ATOM 0 HB3 MET A 1 18.293 -10.127 -2.746 1.00 3.14 H new ATOM 0 HG2 MET A 1 20.106 -10.285 -4.449 1.00 3.63 H new ATOM 0 HG3 MET A 1 21.285 -10.462 -3.164 1.00 3.63 H new ATOM 0 HE1 MET A 1 21.103 -14.071 -4.755 1.00 5.01 H new ATOM 0 HE2 MET A 1 20.930 -12.517 -5.605 1.00 5.01 H new ATOM 0 HE3 MET A 1 22.158 -12.703 -4.331 1.00 5.01 H new ATOM 20 N ALA A 2 17.273 -7.599 -2.223 1.00 2.15 N ATOM 21 CA ALA A 2 16.170 -6.989 -1.531 1.00 2.02 C ATOM 22 C ALA A 2 14.964 -7.902 -1.584 1.00 1.59 C ATOM 23 O ALA A 2 14.795 -8.654 -2.548 1.00 1.59 O ATOM 24 CB ALA A 2 15.842 -5.640 -2.156 1.00 2.33 C ATOM 0 H ALA A 2 17.044 -7.943 -3.156 1.00 2.15 H new ATOM 0 HA ALA A 2 16.446 -6.830 -0.489 1.00 2.02 H new ATOM 0 HB1 ALA A 2 15.005 -5.187 -1.625 1.00 2.33 H new ATOM 0 HB2 ALA A 2 16.712 -4.987 -2.088 1.00 2.33 H new ATOM 0 HB3 ALA A 2 15.574 -5.780 -3.203 1.00 2.33 H new ATOM 30 N THR A 3 14.154 -7.850 -0.565 1.00 1.52 N ATOM 31 CA THR A 3 12.960 -8.631 -0.503 1.00 1.28 C ATOM 32 C THR A 3 11.806 -7.788 -1.040 1.00 1.04 C ATOM 33 O THR A 3 11.368 -6.836 -0.393 1.00 1.23 O ATOM 34 CB THR A 3 12.669 -8.985 0.952 1.00 1.66 C ATOM 35 OG1 THR A 3 13.853 -9.545 1.571 1.00 2.10 O ATOM 36 CG2 THR A 3 11.523 -9.984 1.056 1.00 2.36 C ATOM 0 H THR A 3 14.309 -7.258 0.251 1.00 1.52 H new ATOM 0 HA THR A 3 13.076 -9.542 -1.090 1.00 1.28 H new ATOM 0 HB THR A 3 12.380 -8.070 1.469 1.00 1.66 H new ATOM 0 HG1 THR A 3 13.659 -9.768 2.505 1.00 2.10 H new ATOM 0 HG21 THR A 3 11.338 -10.218 2.104 1.00 2.36 H new ATOM 0 HG22 THR A 3 10.624 -9.553 0.616 1.00 2.36 H new ATOM 0 HG23 THR A 3 11.786 -10.897 0.522 1.00 2.36 H new ATOM 44 N LEU A 4 11.355 -8.097 -2.228 1.00 0.77 N ATOM 45 CA LEU A 4 10.269 -7.359 -2.819 1.00 0.59 C ATOM 46 C LEU A 4 8.949 -7.958 -2.393 1.00 0.58 C ATOM 47 O LEU A 4 8.667 -9.131 -2.662 1.00 0.79 O ATOM 48 CB LEU A 4 10.375 -7.341 -4.347 1.00 0.63 C ATOM 49 CG LEU A 4 11.658 -6.744 -4.934 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.621 -6.811 -6.449 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.854 -5.309 -4.471 1.00 0.64 C ATOM 0 H LEU A 4 11.722 -8.854 -2.805 1.00 0.77 H new ATOM 0 HA LEU A 4 10.327 -6.328 -2.469 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.278 -8.365 -4.708 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.526 -6.782 -4.742 1.00 0.63 H new ATOM 0 HG LEU A 4 12.503 -7.332 -4.575 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.538 -6.384 -6.855 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.534 -7.850 -6.765 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.764 -6.247 -6.817 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.772 -4.910 -4.902 1.00 0.64 H new ATOM 0 HD22 LEU A 4 11.008 -4.703 -4.795 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.923 -5.284 -3.383 1.00 0.64 H new ATOM 63 N LEU A 5 8.161 -7.178 -1.700 1.00 0.53 N ATOM 64 CA LEU A 5 6.870 -7.627 -1.269 1.00 0.58 C ATOM 65 C LEU A 5 5.900 -7.602 -2.433 1.00 0.47 C ATOM 66 O LEU A 5 5.991 -6.734 -3.315 1.00 0.54 O ATOM 67 CB LEU A 5 6.366 -6.830 -0.030 1.00 0.85 C ATOM 68 CG LEU A 5 6.141 -5.301 -0.140 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.878 -4.944 -0.915 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.084 -4.698 1.236 1.00 1.27 C ATOM 0 H LEU A 5 8.395 -6.225 -1.423 1.00 0.53 H new ATOM 0 HA LEU A 5 6.947 -8.661 -0.933 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.422 -7.276 0.282 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.080 -6.997 0.777 1.00 0.85 H new ATOM 0 HG LEU A 5 6.983 -4.891 -0.698 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.773 -3.860 -0.959 1.00 0.85 H new ATOM 0 HD12 LEU A 5 4.947 -5.344 -1.927 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.010 -5.373 -0.414 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.926 -3.623 1.156 1.00 1.27 H new ATOM 0 HD22 LEU A 5 5.262 -5.145 1.795 1.00 1.27 H new ATOM 0 HD23 LEU A 5 7.023 -4.889 1.756 1.00 1.27 H new ATOM 82 N THR A 6 5.012 -8.535 -2.451 1.00 0.43 N ATOM 83 CA THR A 6 4.086 -8.658 -3.523 1.00 0.48 C ATOM 84 C THR A 6 2.675 -8.276 -3.099 1.00 0.49 C ATOM 85 O THR A 6 2.470 -7.732 -2.009 1.00 0.52 O ATOM 86 CB THR A 6 4.111 -10.072 -4.141 1.00 0.58 C ATOM 87 OG1 THR A 6 3.866 -11.072 -3.120 1.00 0.64 O ATOM 88 CG2 THR A 6 5.448 -10.340 -4.805 1.00 0.76 C ATOM 0 H THR A 6 4.907 -9.238 -1.719 1.00 0.43 H new ATOM 0 HA THR A 6 4.402 -7.954 -4.292 1.00 0.48 H new ATOM 0 HB THR A 6 3.325 -10.128 -4.894 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.452 -10.906 -2.352 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.446 -11.342 -5.235 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.616 -9.607 -5.594 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.244 -10.264 -4.064 1.00 0.76 H new ATOM 96 N THR A 7 1.731 -8.570 -3.960 1.00 0.56 N ATOM 97 CA THR A 7 0.314 -8.341 -3.767 1.00 0.62 C ATOM 98 C THR A 7 -0.179 -8.883 -2.420 1.00 0.64 C ATOM 99 O THR A 7 -0.811 -8.178 -1.648 1.00 0.73 O ATOM 100 CB THR A 7 -0.394 -9.084 -4.894 1.00 0.74 C ATOM 101 OG1 THR A 7 0.311 -10.324 -5.126 1.00 1.34 O ATOM 102 CG2 THR A 7 -0.385 -8.259 -6.160 1.00 1.19 C ATOM 0 H THR A 7 1.938 -8.998 -4.862 1.00 0.56 H new ATOM 0 HA THR A 7 0.108 -7.271 -3.773 1.00 0.62 H new ATOM 0 HB THR A 7 -1.430 -9.274 -4.614 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.129 -10.820 -5.847 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.895 -8.805 -6.954 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.898 -7.314 -5.982 1.00 1.19 H new ATOM 0 HG23 THR A 7 0.645 -8.062 -6.459 1.00 1.19 H new ATOM 110 N ASP A 8 0.114 -10.130 -2.176 1.00 0.65 N ATOM 111 CA ASP A 8 -0.305 -10.849 -0.977 1.00 0.71 C ATOM 112 C ASP A 8 0.288 -10.194 0.257 1.00 0.65 C ATOM 113 O ASP A 8 -0.372 -10.054 1.285 1.00 0.69 O ATOM 114 CB ASP A 8 0.162 -12.307 -1.071 1.00 0.86 C ATOM 115 CG ASP A 8 -0.268 -12.974 -2.365 1.00 1.61 C ATOM 116 OD1 ASP A 8 0.262 -12.586 -3.440 1.00 2.44 O ATOM 117 OD2 ASP A 8 -1.127 -13.878 -2.335 1.00 1.74 O ATOM 0 H ASP A 8 0.666 -10.701 -2.816 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.392 -10.820 -0.900 1.00 0.71 H new ATOM 0 HB2 ASP A 8 1.249 -12.343 -0.991 1.00 0.86 H new ATOM 0 HB3 ASP A 8 -0.238 -12.868 -0.227 1.00 0.86 H new ATOM 122 N ASP A 9 1.522 -9.754 0.127 1.00 0.60 N ATOM 123 CA ASP A 9 2.224 -9.081 1.209 1.00 0.61 C ATOM 124 C ASP A 9 1.570 -7.744 1.481 1.00 0.56 C ATOM 125 O ASP A 9 1.311 -7.381 2.635 1.00 0.62 O ATOM 126 CB ASP A 9 3.702 -8.845 0.867 1.00 0.64 C ATOM 127 CG ASP A 9 4.483 -10.106 0.590 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.014 -10.708 1.537 1.00 1.32 O ATOM 129 OD2 ASP A 9 4.589 -10.509 -0.607 1.00 2.06 O ATOM 0 H ASP A 9 2.069 -9.851 -0.728 1.00 0.60 H new ATOM 0 HA ASP A 9 2.170 -9.723 2.088 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.762 -8.195 -0.006 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.174 -8.313 1.693 1.00 0.64 H new ATOM 134 N LEU A 10 1.303 -7.028 0.410 1.00 0.52 N ATOM 135 CA LEU A 10 0.675 -5.722 0.454 1.00 0.51 C ATOM 136 C LEU A 10 -0.735 -5.796 1.038 1.00 0.52 C ATOM 137 O LEU A 10 -1.080 -5.015 1.932 1.00 0.58 O ATOM 138 CB LEU A 10 0.648 -5.109 -0.962 1.00 0.50 C ATOM 139 CG LEU A 10 -0.066 -3.759 -1.127 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.552 -2.706 -0.231 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.017 -3.310 -2.582 1.00 0.56 C ATOM 0 H LEU A 10 1.520 -7.343 -0.536 1.00 0.52 H new ATOM 0 HA LEU A 10 1.264 -5.081 1.111 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.678 -4.990 -1.299 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.174 -5.826 -1.632 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.108 -3.887 -0.832 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.028 -1.760 -0.367 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.470 -3.020 0.810 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.603 -2.579 -0.490 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.527 -2.352 -2.685 1.00 0.56 H new ATOM 0 HD22 LEU A 10 1.022 -3.204 -2.895 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.511 -4.053 -3.209 1.00 0.56 H new ATOM 153 N ARG A 11 -1.523 -6.765 0.574 1.00 0.51 N ATOM 154 CA ARG A 11 -2.916 -6.885 0.989 1.00 0.54 C ATOM 155 C ARG A 11 -3.031 -7.076 2.500 1.00 0.53 C ATOM 156 O ARG A 11 -3.933 -6.535 3.118 1.00 0.57 O ATOM 157 CB ARG A 11 -3.669 -8.009 0.236 1.00 0.60 C ATOM 158 CG ARG A 11 -3.439 -9.407 0.751 1.00 0.82 C ATOM 159 CD ARG A 11 -4.280 -10.413 0.006 1.00 0.98 C ATOM 160 NE ARG A 11 -4.102 -11.742 0.565 1.00 1.50 N ATOM 161 CZ ARG A 11 -3.608 -12.783 -0.093 1.00 2.13 C ATOM 162 NH1 ARG A 11 -3.345 -12.686 -1.389 1.00 2.32 N ATOM 163 NH2 ARG A 11 -3.419 -13.925 0.537 1.00 3.08 N ATOM 0 H ARG A 11 -1.219 -7.477 -0.089 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.398 -5.944 0.722 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -4.737 -7.797 0.278 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -3.379 -7.976 -0.814 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -2.385 -9.665 0.649 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -3.676 -9.448 1.814 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -5.331 -10.128 0.060 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -4.004 -10.416 -1.048 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.378 -11.886 1.537 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -3.522 -11.810 -1.881 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -2.965 -13.487 -1.894 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -3.652 -14.006 1.527 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -3.039 -14.728 0.035 1.00 3.08 H new ATOM 177 N ARG A 12 -2.075 -7.804 3.095 1.00 0.54 N ATOM 178 CA ARG A 12 -2.096 -8.042 4.540 1.00 0.59 C ATOM 179 C ARG A 12 -1.977 -6.740 5.319 1.00 0.61 C ATOM 180 O ARG A 12 -2.596 -6.582 6.355 1.00 0.66 O ATOM 181 CB ARG A 12 -0.991 -8.999 4.986 1.00 0.72 C ATOM 182 CG ARG A 12 -1.103 -10.409 4.446 1.00 0.94 C ATOM 183 CD ARG A 12 0.009 -11.296 4.995 1.00 1.09 C ATOM 184 NE ARG A 12 1.345 -10.740 4.715 1.00 1.71 N ATOM 185 CZ ARG A 12 2.310 -11.353 4.013 1.00 2.06 C ATOM 186 NH1 ARG A 12 2.176 -12.619 3.636 1.00 1.90 N ATOM 187 NH2 ARG A 12 3.432 -10.696 3.753 1.00 3.10 N ATOM 0 H ARG A 12 -1.290 -8.231 2.604 1.00 0.54 H new ATOM 0 HA ARG A 12 -3.059 -8.505 4.756 1.00 0.59 H new ATOM 0 HB2 ARG A 12 -0.030 -8.586 4.681 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.988 -9.043 6.075 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -2.073 -10.828 4.714 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -1.053 -10.390 3.357 1.00 0.94 H new ATOM 0 HD2 ARG A 12 -0.117 -11.412 6.071 1.00 1.09 H new ATOM 0 HD3 ARG A 12 -0.070 -12.290 4.556 1.00 1.09 H new ATOM 0 HE ARG A 12 1.553 -9.813 5.086 1.00 1.71 H new ATOM 0 HH11 ARG A 12 1.332 -13.137 3.880 1.00 1.90 H new ATOM 0 HH12 ARG A 12 2.917 -13.073 3.103 1.00 1.90 H new ATOM 0 HH21 ARG A 12 3.551 -9.739 4.086 1.00 3.10 H new ATOM 0 HH22 ARG A 12 4.176 -11.147 3.221 1.00 3.10 H new ATOM 201 N ALA A 13 -1.207 -5.795 4.793 1.00 0.66 N ATOM 202 CA ALA A 13 -1.003 -4.515 5.475 1.00 0.77 C ATOM 203 C ALA A 13 -2.170 -3.602 5.239 1.00 0.66 C ATOM 204 O ALA A 13 -2.488 -2.745 6.067 1.00 0.70 O ATOM 205 CB ALA A 13 0.263 -3.854 5.017 1.00 0.95 C ATOM 0 H ALA A 13 -0.716 -5.886 3.904 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.919 -4.717 6.543 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.388 -2.906 5.540 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.111 -4.503 5.234 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.211 -3.672 3.944 1.00 0.95 H new ATOM 211 N LEU A 14 -2.810 -3.793 4.107 1.00 0.58 N ATOM 212 CA LEU A 14 -3.984 -3.040 3.761 1.00 0.57 C ATOM 213 C LEU A 14 -5.080 -3.445 4.765 1.00 0.56 C ATOM 214 O LEU A 14 -5.819 -2.604 5.296 1.00 0.77 O ATOM 215 CB LEU A 14 -4.375 -3.357 2.306 1.00 0.59 C ATOM 216 CG LEU A 14 -5.169 -2.285 1.568 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.361 -1.005 1.471 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.549 -2.756 0.179 1.00 1.40 C ATOM 0 H LEU A 14 -2.527 -4.476 3.404 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.823 -1.963 3.818 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -3.463 -3.555 1.743 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.958 -4.278 2.302 1.00 0.59 H new ATOM 0 HG LEU A 14 -6.081 -2.092 2.132 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.940 -0.248 0.942 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -4.126 -0.647 2.473 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.436 -1.199 0.928 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -6.115 -1.974 -0.328 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.646 -2.977 -0.390 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -6.160 -3.655 0.254 1.00 1.40 H new ATOM 230 N VAL A 15 -5.104 -4.752 5.066 1.00 0.46 N ATOM 231 CA VAL A 15 -5.945 -5.339 6.116 1.00 0.49 C ATOM 232 C VAL A 15 -5.588 -4.712 7.477 1.00 0.52 C ATOM 233 O VAL A 15 -6.476 -4.290 8.233 1.00 0.66 O ATOM 234 CB VAL A 15 -5.734 -6.890 6.175 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.391 -7.503 7.401 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.285 -7.547 4.919 1.00 0.59 C ATOM 0 H VAL A 15 -4.530 -5.440 4.578 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.991 -5.135 5.887 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.661 -7.069 6.241 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.222 -8.580 7.405 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -5.961 -7.065 8.302 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.463 -7.304 7.377 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.131 -8.625 4.975 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.351 -7.337 4.836 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.768 -7.151 4.045 1.00 0.59 H new ATOM 246 N GLU A 16 -4.281 -4.628 7.765 1.00 0.48 N ATOM 247 CA GLU A 16 -3.758 -4.035 9.020 1.00 0.54 C ATOM 248 C GLU A 16 -4.152 -2.558 9.188 1.00 0.51 C ATOM 249 O GLU A 16 -3.975 -1.993 10.254 1.00 0.63 O ATOM 250 CB GLU A 16 -2.219 -4.167 9.110 1.00 0.64 C ATOM 251 CG GLU A 16 -1.719 -5.599 9.130 1.00 0.83 C ATOM 252 CD GLU A 16 -0.214 -5.702 9.195 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.462 -5.379 8.192 1.00 1.94 O ATOM 254 OE2 GLU A 16 0.330 -6.071 10.254 1.00 1.14 O ATOM 0 H GLU A 16 -3.551 -4.967 7.139 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.218 -4.602 9.829 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.771 -3.649 8.262 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.874 -3.661 10.011 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.150 -6.116 9.988 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -2.074 -6.114 8.237 1.00 0.83 H new ATOM 261 N SER A 17 -4.649 -1.947 8.133 1.00 0.49 N ATOM 262 CA SER A 17 -5.064 -0.557 8.170 1.00 0.58 C ATOM 263 C SER A 17 -6.596 -0.445 8.246 1.00 0.66 C ATOM 264 O SER A 17 -7.155 0.655 8.319 1.00 0.98 O ATOM 265 CB SER A 17 -4.563 0.124 6.919 1.00 0.62 C ATOM 266 OG SER A 17 -3.187 -0.155 6.733 1.00 1.38 O ATOM 0 H SER A 17 -4.777 -2.397 7.227 1.00 0.49 H new ATOM 0 HA SER A 17 -4.647 -0.079 9.056 1.00 0.58 H new ATOM 0 HB2 SER A 17 -5.132 -0.220 6.055 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.717 1.200 6.994 1.00 0.62 H new ATOM 0 HG SER A 17 -3.080 -1.075 6.411 1.00 1.38 H new ATOM 272 N ALA A 18 -7.261 -1.578 8.207 1.00 0.65 N ATOM 273 CA ALA A 18 -8.705 -1.605 8.201 1.00 0.88 C ATOM 274 C ALA A 18 -9.251 -2.204 9.480 1.00 0.85 C ATOM 275 O ALA A 18 -10.163 -1.656 10.102 1.00 1.04 O ATOM 276 CB ALA A 18 -9.200 -2.389 6.998 1.00 1.13 C ATOM 0 H ALA A 18 -6.821 -2.498 8.179 1.00 0.65 H new ATOM 0 HA ALA A 18 -9.065 -0.578 8.136 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.290 -2.406 6.998 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.845 -1.914 6.083 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.821 -3.410 7.048 1.00 1.13 H new ATOM 282 N GLY A 19 -8.719 -3.347 9.862 1.00 0.79 N ATOM 283 CA GLY A 19 -9.170 -4.011 11.066 1.00 0.97 C ATOM 284 C GLY A 19 -10.272 -5.009 10.773 1.00 1.18 C ATOM 285 O GLY A 19 -10.162 -6.195 11.118 1.00 1.57 O ATOM 0 H GLY A 19 -7.977 -3.833 9.358 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.330 -4.523 11.536 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.530 -3.269 11.778 1.00 0.97 H new ATOM 289 N GLU A 20 -11.324 -4.531 10.144 1.00 1.43 N ATOM 290 CA GLU A 20 -12.441 -5.358 9.747 1.00 1.75 C ATOM 291 C GLU A 20 -12.315 -5.634 8.251 1.00 1.79 C ATOM 292 O GLU A 20 -12.471 -4.719 7.424 1.00 2.30 O ATOM 293 CB GLU A 20 -13.767 -4.652 10.053 1.00 2.40 C ATOM 294 CG GLU A 20 -14.989 -5.516 9.808 1.00 3.14 C ATOM 295 CD GLU A 20 -16.277 -4.761 9.963 1.00 3.62 C ATOM 296 OE1 GLU A 20 -16.697 -4.094 8.994 1.00 4.15 O ATOM 297 OE2 GLU A 20 -16.917 -4.828 11.046 1.00 3.97 O ATOM 0 H GLU A 20 -11.428 -3.548 9.892 1.00 1.43 H new ATOM 0 HA GLU A 20 -12.430 -6.295 10.303 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -13.764 -4.329 11.094 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.840 -3.753 9.440 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -14.937 -5.934 8.803 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -14.980 -6.356 10.503 1.00 3.14 H new ATOM 304 N THR A 21 -12.010 -6.861 7.911 1.00 1.91 N ATOM 305 CA THR A 21 -11.744 -7.237 6.542 1.00 2.43 C ATOM 306 C THR A 21 -12.373 -8.579 6.159 1.00 2.45 C ATOM 307 O THR A 21 -11.765 -9.371 5.428 1.00 3.06 O ATOM 308 CB THR A 21 -10.223 -7.290 6.284 1.00 3.22 C ATOM 309 OG1 THR A 21 -9.569 -7.899 7.413 1.00 3.77 O ATOM 310 CG2 THR A 21 -9.647 -5.905 6.032 1.00 3.83 C ATOM 0 H THR A 21 -11.939 -7.631 8.576 1.00 1.91 H new ATOM 0 HA THR A 21 -12.203 -6.471 5.917 1.00 2.43 H new ATOM 0 HB THR A 21 -10.049 -7.885 5.388 1.00 3.22 H new ATOM 0 HG1 THR A 21 -9.096 -8.706 7.121 1.00 3.77 H new ATOM 0 HG21 THR A 21 -8.574 -5.984 5.855 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.128 -5.464 5.159 1.00 3.83 H new ATOM 0 HG23 THR A 21 -9.825 -5.273 6.902 1.00 3.83 H new ATOM 318 N ASP A 22 -13.599 -8.815 6.579 1.00 2.17 N ATOM 319 CA ASP A 22 -14.285 -10.048 6.196 1.00 2.48 C ATOM 320 C ASP A 22 -14.920 -9.829 4.859 1.00 2.10 C ATOM 321 O ASP A 22 -14.809 -10.652 3.959 1.00 2.55 O ATOM 322 CB ASP A 22 -15.366 -10.487 7.204 1.00 3.04 C ATOM 323 CG ASP A 22 -14.839 -10.846 8.568 1.00 3.67 C ATOM 324 OD1 ASP A 22 -14.283 -11.958 8.740 1.00 3.96 O ATOM 325 OD2 ASP A 22 -14.998 -10.038 9.507 1.00 4.25 O ATOM 0 H ASP A 22 -14.139 -8.187 7.175 1.00 2.17 H new ATOM 0 HA ASP A 22 -13.542 -10.846 6.171 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -16.094 -9.683 7.310 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -15.898 -11.347 6.796 1.00 3.04 H new ATOM 330 N GLY A 23 -15.545 -8.681 4.714 1.00 1.96 N ATOM 331 CA GLY A 23 -16.181 -8.313 3.484 1.00 2.00 C ATOM 332 C GLY A 23 -15.317 -7.347 2.736 1.00 1.94 C ATOM 333 O GLY A 23 -15.753 -6.261 2.366 1.00 2.20 O ATOM 0 H GLY A 23 -15.622 -7.981 5.451 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -16.360 -9.200 2.877 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -17.153 -7.864 3.687 1.00 2.00 H new ATOM 337 N THR A 24 -14.079 -7.721 2.572 1.00 1.83 N ATOM 338 CA THR A 24 -13.114 -6.917 1.886 1.00 1.80 C ATOM 339 C THR A 24 -12.463 -7.762 0.804 1.00 1.84 C ATOM 340 O THR A 24 -11.392 -8.367 1.007 1.00 1.90 O ATOM 341 CB THR A 24 -12.050 -6.390 2.874 1.00 1.83 C ATOM 342 OG1 THR A 24 -12.715 -5.771 3.989 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.147 -5.355 2.204 1.00 1.85 C ATOM 0 H THR A 24 -13.709 -8.607 2.917 1.00 1.83 H new ATOM 0 HA THR A 24 -13.606 -6.055 1.435 1.00 1.80 H new ATOM 0 HB THR A 24 -11.437 -7.228 3.205 1.00 1.83 H new ATOM 0 HG1 THR A 24 -12.151 -5.056 4.350 1.00 1.96 H new ATOM 0 HG21 THR A 24 -10.407 -5.000 2.921 1.00 1.85 H new ATOM 0 HG22 THR A 24 -10.639 -5.811 1.354 1.00 1.85 H new ATOM 0 HG23 THR A 24 -11.750 -4.515 1.859 1.00 1.85 H new ATOM 351 N ASP A 25 -13.169 -7.909 -0.288 1.00 1.96 N ATOM 352 CA ASP A 25 -12.677 -8.687 -1.407 1.00 2.09 C ATOM 353 C ASP A 25 -11.549 -7.930 -2.087 1.00 1.62 C ATOM 354 O ASP A 25 -11.724 -6.824 -2.616 1.00 1.86 O ATOM 355 CB ASP A 25 -13.798 -9.091 -2.404 1.00 2.69 C ATOM 356 CG ASP A 25 -14.384 -7.945 -3.202 1.00 3.10 C ATOM 357 OD1 ASP A 25 -15.196 -7.179 -2.648 1.00 3.40 O ATOM 358 OD2 ASP A 25 -14.046 -7.795 -4.400 1.00 3.55 O ATOM 0 H ASP A 25 -14.092 -7.499 -0.431 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.290 -9.630 -1.021 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -13.398 -9.831 -3.098 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -14.601 -9.576 -1.849 1.00 2.69 H new ATOM 363 N LEU A 26 -10.383 -8.493 -2.002 1.00 1.28 N ATOM 364 CA LEU A 26 -9.203 -7.879 -2.514 1.00 0.95 C ATOM 365 C LEU A 26 -8.395 -8.937 -3.251 1.00 1.02 C ATOM 366 O LEU A 26 -8.030 -8.750 -4.418 1.00 1.36 O ATOM 367 CB LEU A 26 -8.413 -7.310 -1.337 1.00 1.16 C ATOM 368 CG LEU A 26 -7.261 -6.391 -1.667 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.775 -5.121 -2.332 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.496 -6.062 -0.409 1.00 1.05 C ATOM 0 H LEU A 26 -10.225 -9.403 -1.569 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.439 -7.071 -3.206 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.106 -6.768 -0.694 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.024 -8.145 -0.754 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.590 -6.893 -2.364 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.935 -4.467 -2.565 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -8.300 -5.379 -3.252 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.458 -4.607 -1.656 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -5.666 -5.399 -0.651 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.159 -5.569 0.302 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.110 -6.981 0.033 1.00 1.05 H new ATOM 382 N SER A 27 -8.131 -10.050 -2.549 1.00 1.03 N ATOM 383 CA SER A 27 -7.461 -11.225 -3.109 1.00 1.23 C ATOM 384 C SER A 27 -6.032 -10.873 -3.627 1.00 1.39 C ATOM 385 O SER A 27 -5.424 -9.865 -3.214 1.00 2.16 O ATOM 386 CB SER A 27 -8.366 -11.825 -4.230 1.00 1.77 C ATOM 387 OG SER A 27 -7.928 -13.109 -4.667 1.00 2.39 O ATOM 0 H SER A 27 -8.381 -10.157 -1.566 1.00 1.03 H new ATOM 0 HA SER A 27 -7.319 -11.975 -2.331 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.389 -11.901 -3.862 1.00 1.77 H new ATOM 0 HB3 SER A 27 -8.383 -11.143 -5.080 1.00 1.77 H new ATOM 0 HG SER A 27 -8.529 -13.439 -5.367 1.00 2.39 H new ATOM 393 N GLY A 28 -5.478 -11.738 -4.448 1.00 1.32 N ATOM 394 CA GLY A 28 -4.207 -11.491 -5.061 1.00 1.62 C ATOM 395 C GLY A 28 -4.397 -10.765 -6.368 1.00 1.42 C ATOM 396 O GLY A 28 -5.331 -11.073 -7.117 1.00 1.77 O ATOM 0 H GLY A 28 -5.902 -12.630 -4.704 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -3.581 -10.898 -4.394 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -3.687 -12.434 -5.231 1.00 1.62 H new ATOM 400 N ASP A 29 -3.517 -9.808 -6.634 1.00 1.39 N ATOM 401 CA ASP A 29 -3.570 -8.935 -7.825 1.00 1.21 C ATOM 402 C ASP A 29 -4.783 -8.039 -7.807 1.00 0.96 C ATOM 403 O ASP A 29 -5.897 -8.427 -8.179 1.00 1.17 O ATOM 404 CB ASP A 29 -3.439 -9.683 -9.158 1.00 1.44 C ATOM 405 CG ASP A 29 -2.092 -10.319 -9.334 1.00 1.84 C ATOM 406 OD1 ASP A 29 -1.134 -9.609 -9.670 1.00 2.30 O ATOM 407 OD2 ASP A 29 -1.973 -11.547 -9.155 1.00 2.28 O ATOM 0 H ASP A 29 -2.726 -9.604 -6.023 1.00 1.39 H new ATOM 0 HA ASP A 29 -2.682 -8.306 -7.759 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -4.210 -10.452 -9.216 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -3.619 -8.989 -9.979 1.00 1.44 H new ATOM 412 N PHE A 30 -4.564 -6.844 -7.347 1.00 0.73 N ATOM 413 CA PHE A 30 -5.610 -5.869 -7.167 1.00 0.56 C ATOM 414 C PHE A 30 -5.093 -4.491 -7.531 1.00 0.46 C ATOM 415 O PHE A 30 -5.633 -3.481 -7.117 1.00 0.43 O ATOM 416 CB PHE A 30 -6.098 -5.911 -5.703 1.00 0.53 C ATOM 417 CG PHE A 30 -5.005 -5.791 -4.661 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.371 -6.923 -4.173 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.622 -4.553 -4.168 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.381 -6.824 -3.222 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.631 -4.450 -3.213 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.010 -5.586 -2.742 1.00 0.83 C ATOM 0 H PHE A 30 -3.639 -6.508 -7.080 1.00 0.73 H new ATOM 0 HA PHE A 30 -6.451 -6.099 -7.821 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -6.814 -5.104 -5.551 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -6.633 -6.847 -5.541 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -4.658 -7.896 -4.544 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.105 -3.659 -4.535 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -2.895 -7.715 -2.852 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.343 -3.480 -2.835 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.232 -5.507 -1.997 1.00 0.83 H new ATOM 432 N LEU A 31 -4.105 -4.469 -8.399 1.00 0.49 N ATOM 433 CA LEU A 31 -3.394 -3.245 -8.775 1.00 0.49 C ATOM 434 C LEU A 31 -4.240 -2.329 -9.636 1.00 0.49 C ATOM 435 O LEU A 31 -3.934 -1.147 -9.788 1.00 0.58 O ATOM 436 CB LEU A 31 -2.063 -3.568 -9.483 1.00 0.59 C ATOM 437 CG LEU A 31 -0.859 -3.935 -8.588 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.125 -5.141 -7.721 1.00 1.08 C ATOM 439 CD2 LEU A 31 0.381 -4.152 -9.434 1.00 1.85 C ATOM 0 H LEU A 31 -3.762 -5.304 -8.874 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.177 -2.715 -7.848 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.238 -4.396 -10.170 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -1.784 -2.705 -10.088 1.00 0.59 H new ATOM 0 HG LEU A 31 -0.694 -3.093 -7.916 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.245 -5.353 -7.113 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.976 -4.941 -7.070 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -1.346 -6.001 -8.353 1.00 1.08 H new ATOM 0 HD21 LEU A 31 1.221 -4.410 -8.789 1.00 1.85 H new ATOM 0 HD22 LEU A 31 0.203 -4.964 -10.139 1.00 1.85 H new ATOM 0 HD23 LEU A 31 0.612 -3.239 -9.982 1.00 1.85 H new ATOM 451 N ASP A 32 -5.301 -2.870 -10.174 1.00 0.49 N ATOM 452 CA ASP A 32 -6.207 -2.113 -11.021 1.00 0.67 C ATOM 453 C ASP A 32 -7.389 -1.560 -10.227 1.00 0.57 C ATOM 454 O ASP A 32 -8.256 -0.886 -10.794 1.00 0.74 O ATOM 455 CB ASP A 32 -6.723 -2.978 -12.180 1.00 0.94 C ATOM 456 CG ASP A 32 -7.548 -4.154 -11.713 1.00 1.76 C ATOM 457 OD1 ASP A 32 -6.962 -5.192 -11.326 1.00 2.55 O ATOM 458 OD2 ASP A 32 -8.792 -4.088 -11.741 1.00 2.27 O ATOM 0 H ASP A 32 -5.568 -3.846 -10.042 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.642 -1.273 -11.425 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -7.324 -2.361 -12.848 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -5.875 -3.343 -12.760 1.00 0.94 H new ATOM 463 N LEU A 33 -7.431 -1.834 -8.930 1.00 0.51 N ATOM 464 CA LEU A 33 -8.520 -1.333 -8.093 1.00 0.60 C ATOM 465 C LEU A 33 -8.299 0.117 -7.728 1.00 0.50 C ATOM 466 O LEU A 33 -7.175 0.608 -7.744 1.00 0.60 O ATOM 467 CB LEU A 33 -8.702 -2.162 -6.810 1.00 0.85 C ATOM 468 CG LEU A 33 -9.222 -3.589 -6.982 1.00 0.69 C ATOM 469 CD1 LEU A 33 -9.379 -4.256 -5.626 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.552 -3.579 -7.705 1.00 1.12 C ATOM 0 H LEU A 33 -6.735 -2.393 -8.437 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.430 -1.425 -8.686 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -7.742 -2.210 -6.297 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -9.388 -1.627 -6.154 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.501 -4.152 -7.575 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -9.750 -5.272 -5.761 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.413 -4.286 -5.121 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -10.087 -3.689 -5.021 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -10.911 -4.602 -7.821 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.276 -3.004 -7.128 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.428 -3.124 -8.688 1.00 1.12 H new ATOM 482 N ARG A 34 -9.356 0.799 -7.410 1.00 0.50 N ATOM 483 CA ARG A 34 -9.275 2.176 -7.016 1.00 0.51 C ATOM 484 C ARG A 34 -9.581 2.261 -5.553 1.00 0.47 C ATOM 485 O ARG A 34 -10.606 1.751 -5.108 1.00 0.58 O ATOM 486 CB ARG A 34 -10.263 3.020 -7.818 1.00 0.67 C ATOM 487 CG ARG A 34 -10.089 2.869 -9.307 1.00 0.85 C ATOM 488 CD ARG A 34 -8.699 3.294 -9.735 1.00 0.93 C ATOM 489 NE ARG A 34 -8.441 3.011 -11.148 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.475 3.594 -11.858 1.00 2.04 C ATOM 491 NH1 ARG A 34 -6.793 4.591 -11.323 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.208 3.199 -13.099 1.00 3.07 N ATOM 0 H ARG A 34 -10.302 0.418 -7.416 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.275 2.562 -7.211 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.280 2.737 -7.546 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -10.141 4.069 -7.547 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.261 1.832 -9.594 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.834 3.471 -9.827 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.576 4.361 -9.552 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -7.959 2.778 -9.123 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.035 2.327 -11.617 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -7.008 4.906 -10.377 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.051 5.045 -11.856 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -7.745 2.441 -13.520 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.466 3.654 -13.631 1.00 3.07 H new ATOM 506 N PHE A 35 -8.724 2.913 -4.810 1.00 0.42 N ATOM 507 CA PHE A 35 -8.860 2.995 -3.365 1.00 0.42 C ATOM 508 C PHE A 35 -10.103 3.747 -2.986 1.00 0.53 C ATOM 509 O PHE A 35 -10.845 3.325 -2.102 1.00 0.61 O ATOM 510 CB PHE A 35 -7.658 3.674 -2.738 1.00 0.41 C ATOM 511 CG PHE A 35 -6.369 2.997 -3.022 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.075 1.773 -2.451 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.447 3.585 -3.857 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.876 1.154 -2.709 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.250 2.977 -4.114 1.00 0.51 C ATOM 516 CZ PHE A 35 -3.960 1.760 -3.539 1.00 0.53 C ATOM 0 H PHE A 35 -7.911 3.404 -5.182 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.927 1.974 -2.990 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.605 4.701 -3.098 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.802 3.722 -1.659 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.793 1.300 -1.797 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.671 4.537 -4.314 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.653 0.196 -2.263 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.532 3.451 -4.767 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.013 1.280 -3.739 1.00 0.53 H new ATOM 526 N GLU A 36 -10.361 4.822 -3.701 1.00 0.64 N ATOM 527 CA GLU A 36 -11.503 5.663 -3.417 1.00 0.83 C ATOM 528 C GLU A 36 -12.770 4.834 -3.637 1.00 0.92 C ATOM 529 O GLU A 36 -13.675 4.834 -2.821 1.00 1.05 O ATOM 530 CB GLU A 36 -11.444 6.910 -4.327 1.00 1.00 C ATOM 531 CG GLU A 36 -12.282 8.121 -3.885 1.00 1.56 C ATOM 532 CD GLU A 36 -13.773 7.946 -4.015 1.00 2.05 C ATOM 533 OE1 GLU A 36 -14.302 8.168 -5.104 1.00 2.39 O ATOM 534 OE2 GLU A 36 -14.439 7.615 -3.021 1.00 2.77 O ATOM 0 H GLU A 36 -9.791 5.135 -4.487 1.00 0.64 H new ATOM 0 HA GLU A 36 -11.503 6.014 -2.385 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -10.404 7.226 -4.407 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -11.766 6.619 -5.327 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -12.047 8.346 -2.845 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -11.980 8.987 -4.474 1.00 1.56 H new ATOM 541 N ASP A 37 -12.737 4.026 -4.673 1.00 0.92 N ATOM 542 CA ASP A 37 -13.866 3.192 -5.063 1.00 1.07 C ATOM 543 C ASP A 37 -14.097 2.031 -4.080 1.00 1.02 C ATOM 544 O ASP A 37 -15.243 1.706 -3.740 1.00 1.20 O ATOM 545 CB ASP A 37 -13.649 2.663 -6.478 1.00 1.17 C ATOM 546 CG ASP A 37 -14.750 1.756 -6.950 1.00 1.39 C ATOM 547 OD1 ASP A 37 -15.889 2.233 -7.129 1.00 1.64 O ATOM 548 OD2 ASP A 37 -14.506 0.544 -7.114 1.00 1.99 O ATOM 0 H ASP A 37 -11.922 3.924 -5.278 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.763 3.810 -5.039 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -13.563 3.506 -7.164 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -12.703 2.124 -6.515 1.00 1.17 H new ATOM 553 N ILE A 38 -13.019 1.435 -3.584 1.00 0.85 N ATOM 554 CA ILE A 38 -13.133 0.296 -2.656 1.00 0.88 C ATOM 555 C ILE A 38 -13.263 0.728 -1.189 1.00 0.84 C ATOM 556 O ILE A 38 -13.030 -0.063 -0.273 1.00 0.91 O ATOM 557 CB ILE A 38 -11.989 -0.742 -2.812 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.613 -0.102 -2.538 1.00 0.66 C ATOM 559 CG2 ILE A 38 -12.038 -1.348 -4.199 1.00 0.97 C ATOM 560 CD1 ILE A 38 -9.442 -1.065 -2.624 1.00 0.68 C ATOM 0 H ILE A 38 -12.061 1.711 -3.801 1.00 0.85 H new ATOM 0 HA ILE A 38 -14.062 -0.196 -2.943 1.00 0.88 H new ATOM 0 HB ILE A 38 -12.131 -1.532 -2.075 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.455 0.707 -3.251 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.626 0.346 -1.544 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -11.234 -2.076 -4.306 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.998 -1.843 -4.346 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.917 -0.562 -4.944 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -8.515 -0.530 -2.417 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -9.572 -1.862 -1.892 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -9.397 -1.495 -3.625 1.00 0.68 H new ATOM 572 N GLY A 39 -13.708 1.951 -0.989 1.00 0.81 N ATOM 573 CA GLY A 39 -13.955 2.473 0.351 1.00 0.82 C ATOM 574 C GLY A 39 -12.693 2.594 1.176 1.00 0.71 C ATOM 575 O GLY A 39 -12.675 2.265 2.371 1.00 0.82 O ATOM 0 H GLY A 39 -13.909 2.611 -1.740 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.428 3.452 0.273 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.659 1.820 0.866 1.00 0.82 H new ATOM 579 N TYR A 40 -11.644 3.030 0.545 1.00 0.56 N ATOM 580 CA TYR A 40 -10.379 3.208 1.190 1.00 0.48 C ATOM 581 C TYR A 40 -9.950 4.636 1.146 1.00 0.43 C ATOM 582 O TYR A 40 -9.633 5.158 0.077 1.00 0.50 O ATOM 583 CB TYR A 40 -9.299 2.361 0.527 1.00 0.51 C ATOM 584 CG TYR A 40 -8.919 1.132 1.279 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.664 -0.029 1.184 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.793 1.135 2.086 1.00 0.60 C ATOM 587 CE1 TYR A 40 -9.303 -1.158 1.873 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.412 0.022 2.783 1.00 0.79 C ATOM 589 CZ TYR A 40 -8.179 -1.137 2.675 1.00 0.88 C ATOM 590 OH TYR A 40 -7.826 -2.272 3.364 1.00 1.13 O ATOM 0 H TYR A 40 -11.643 3.275 -0.445 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.506 2.894 2.226 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.643 2.071 -0.466 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.409 2.975 0.389 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -10.544 -0.047 0.558 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -7.203 2.036 2.166 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.894 -2.058 1.789 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.531 0.041 3.407 1.00 0.79 H new ATOM 0 HH TYR A 40 -7.136 -2.053 4.024 1.00 1.13 H new ATOM 600 N ASP A 41 -9.976 5.287 2.275 1.00 0.49 N ATOM 601 CA ASP A 41 -9.399 6.608 2.368 1.00 0.54 C ATOM 602 C ASP A 41 -7.907 6.442 2.322 1.00 0.52 C ATOM 603 O ASP A 41 -7.374 5.440 2.830 1.00 0.88 O ATOM 604 CB ASP A 41 -9.792 7.340 3.668 1.00 0.71 C ATOM 605 CG ASP A 41 -11.218 7.844 3.685 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.486 8.951 3.162 1.00 1.48 O ATOM 607 OD2 ASP A 41 -12.106 7.122 4.195 1.00 1.35 O ATOM 0 H ASP A 41 -10.386 4.933 3.139 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.773 7.215 1.544 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.646 6.665 4.511 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -9.118 8.184 3.815 1.00 0.71 H new ATOM 612 N SER A 42 -7.211 7.392 1.770 1.00 0.39 N ATOM 613 CA SER A 42 -5.777 7.274 1.637 1.00 0.48 C ATOM 614 C SER A 42 -5.097 7.468 2.989 1.00 0.42 C ATOM 615 O SER A 42 -3.924 7.173 3.170 1.00 0.43 O ATOM 616 CB SER A 42 -5.235 8.206 0.558 1.00 0.71 C ATOM 617 OG SER A 42 -5.562 9.578 0.856 1.00 0.98 O ATOM 0 H SER A 42 -7.606 8.258 1.403 1.00 0.39 H new ATOM 0 HA SER A 42 -5.541 6.264 1.303 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.153 8.093 0.483 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.652 7.930 -0.411 1.00 0.71 H new ATOM 622 N LEU A 43 -5.885 7.916 3.953 1.00 0.46 N ATOM 623 CA LEU A 43 -5.453 8.035 5.330 1.00 0.52 C ATOM 624 C LEU A 43 -5.225 6.630 5.909 1.00 0.45 C ATOM 625 O LEU A 43 -4.438 6.435 6.837 1.00 0.53 O ATOM 626 CB LEU A 43 -6.510 8.787 6.139 1.00 0.66 C ATOM 627 CG LEU A 43 -6.841 10.204 5.648 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.972 10.796 6.461 1.00 1.02 C ATOM 629 CD2 LEU A 43 -5.613 11.101 5.723 1.00 0.97 C ATOM 0 H LEU A 43 -6.850 8.209 3.797 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.519 8.595 5.380 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.428 8.199 6.139 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -6.172 8.850 7.173 1.00 0.66 H new ATOM 0 HG LEU A 43 -7.157 10.138 4.607 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.193 11.800 6.099 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.859 10.170 6.360 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.680 10.844 7.510 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -5.870 12.100 5.370 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -5.267 11.158 6.755 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.822 10.688 5.097 1.00 0.97 H new ATOM 641 N ALA A 44 -5.913 5.649 5.341 1.00 0.40 N ATOM 642 CA ALA A 44 -5.708 4.269 5.715 1.00 0.39 C ATOM 643 C ALA A 44 -4.456 3.776 5.027 1.00 0.34 C ATOM 644 O ALA A 44 -3.645 3.088 5.618 1.00 0.38 O ATOM 645 CB ALA A 44 -6.901 3.409 5.324 1.00 0.43 C ATOM 0 H ALA A 44 -6.618 5.791 4.618 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.599 4.198 6.797 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.717 2.376 5.618 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.795 3.776 5.828 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.047 3.458 4.245 1.00 0.43 H new ATOM 651 N LEU A 45 -4.278 4.208 3.786 1.00 0.31 N ATOM 652 CA LEU A 45 -3.110 3.843 2.979 1.00 0.30 C ATOM 653 C LEU A 45 -1.819 4.335 3.638 1.00 0.29 C ATOM 654 O LEU A 45 -0.786 3.667 3.596 1.00 0.30 O ATOM 655 CB LEU A 45 -3.213 4.456 1.587 1.00 0.32 C ATOM 656 CG LEU A 45 -4.358 3.972 0.728 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.418 4.773 -0.553 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.164 2.514 0.413 1.00 0.36 C ATOM 0 H LEU A 45 -4.936 4.822 3.306 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.087 2.756 2.903 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.298 5.537 1.694 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.281 4.261 1.057 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.295 4.104 1.268 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.246 4.417 -1.166 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.568 5.826 -0.317 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.483 4.653 -1.101 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -4.989 2.163 -0.207 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.225 2.379 -0.123 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.138 1.942 1.340 1.00 0.36 H new ATOM 670 N MET A 46 -1.895 5.517 4.252 1.00 0.30 N ATOM 671 CA MET A 46 -0.765 6.120 4.983 1.00 0.31 C ATOM 672 C MET A 46 -0.364 5.253 6.176 1.00 0.33 C ATOM 673 O MET A 46 0.775 5.302 6.645 1.00 0.37 O ATOM 674 CB MET A 46 -1.125 7.531 5.472 1.00 0.37 C ATOM 675 CG MET A 46 -1.391 8.545 4.368 1.00 0.40 C ATOM 676 SD MET A 46 -1.975 10.129 5.013 1.00 0.54 S ATOM 677 CE MET A 46 -2.181 11.043 3.483 1.00 1.67 C ATOM 0 H MET A 46 -2.740 6.088 4.260 1.00 0.30 H new ATOM 0 HA MET A 46 0.077 6.186 4.295 1.00 0.31 H new ATOM 0 HB2 MET A 46 -2.010 7.465 6.105 1.00 0.37 H new ATOM 0 HB3 MET A 46 -0.312 7.901 6.097 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.477 8.704 3.796 1.00 0.40 H new ATOM 0 HG3 MET A 46 -2.132 8.141 3.678 1.00 0.40 H new ATOM 0 HE1 MET A 46 -2.539 12.048 3.705 1.00 1.67 H new ATOM 0 HE2 MET A 46 -1.224 11.105 2.964 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.905 10.532 2.849 1.00 1.67 H new ATOM 687 N GLU A 47 -1.305 4.460 6.655 1.00 0.36 N ATOM 688 CA GLU A 47 -1.060 3.563 7.755 1.00 0.42 C ATOM 689 C GLU A 47 -0.531 2.236 7.185 1.00 0.43 C ATOM 690 O GLU A 47 0.370 1.619 7.753 1.00 0.52 O ATOM 691 CB GLU A 47 -2.356 3.357 8.550 1.00 0.45 C ATOM 692 CG GLU A 47 -2.173 2.675 9.888 1.00 0.62 C ATOM 693 CD GLU A 47 -3.474 2.513 10.639 1.00 1.07 C ATOM 694 OE1 GLU A 47 -4.289 3.478 10.674 1.00 1.29 O ATOM 695 OE2 GLU A 47 -3.714 1.433 11.202 1.00 1.97 O ATOM 0 H GLU A 47 -2.256 4.424 6.289 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.317 3.977 8.437 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.825 4.327 8.713 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.046 2.767 7.948 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.722 1.695 9.734 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.477 3.254 10.495 1.00 0.62 H new ATOM 702 N THR A 48 -1.080 1.842 6.032 1.00 0.39 N ATOM 703 CA THR A 48 -0.654 0.648 5.290 1.00 0.44 C ATOM 704 C THR A 48 0.841 0.730 5.000 1.00 0.45 C ATOM 705 O THR A 48 1.619 -0.189 5.329 1.00 0.56 O ATOM 706 CB THR A 48 -1.409 0.594 3.940 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.814 0.673 4.173 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.097 -0.688 3.181 1.00 0.53 C ATOM 0 H THR A 48 -1.842 2.348 5.581 1.00 0.39 H new ATOM 0 HA THR A 48 -0.870 -0.240 5.885 1.00 0.44 H new ATOM 0 HB THR A 48 -1.080 1.440 3.336 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.022 0.293 5.052 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.643 -0.694 2.238 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.027 -0.741 2.981 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.397 -1.548 3.780 1.00 0.53 H new ATOM 716 N ALA A 49 1.227 1.836 4.383 1.00 0.37 N ATOM 717 CA ALA A 49 2.592 2.092 4.022 1.00 0.38 C ATOM 718 C ALA A 49 3.487 2.109 5.255 1.00 0.43 C ATOM 719 O ALA A 49 4.581 1.575 5.222 1.00 0.45 O ATOM 720 CB ALA A 49 2.689 3.398 3.255 1.00 0.36 C ATOM 0 H ALA A 49 0.585 2.584 4.120 1.00 0.37 H new ATOM 0 HA ALA A 49 2.941 1.286 3.376 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.728 3.585 2.985 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.085 3.334 2.350 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.324 4.214 3.878 1.00 0.36 H new ATOM 726 N ALA A 50 2.982 2.666 6.352 1.00 0.47 N ATOM 727 CA ALA A 50 3.739 2.740 7.598 1.00 0.57 C ATOM 728 C ALA A 50 4.013 1.343 8.158 1.00 0.62 C ATOM 729 O ALA A 50 5.129 1.049 8.610 1.00 0.68 O ATOM 730 CB ALA A 50 3.020 3.597 8.624 1.00 0.65 C ATOM 0 H ALA A 50 2.049 3.074 6.403 1.00 0.47 H new ATOM 0 HA ALA A 50 4.697 3.210 7.376 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.606 3.634 9.542 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.895 4.606 8.232 1.00 0.65 H new ATOM 0 HB3 ALA A 50 2.041 3.167 8.836 1.00 0.65 H new ATOM 736 N ARG A 51 2.997 0.485 8.115 1.00 0.65 N ATOM 737 CA ARG A 51 3.128 -0.903 8.550 1.00 0.76 C ATOM 738 C ARG A 51 4.230 -1.597 7.762 1.00 0.64 C ATOM 739 O ARG A 51 5.177 -2.147 8.332 1.00 0.62 O ATOM 740 CB ARG A 51 1.792 -1.665 8.377 1.00 0.95 C ATOM 741 CG ARG A 51 0.667 -1.261 9.345 1.00 1.23 C ATOM 742 CD ARG A 51 0.892 -1.796 10.767 1.00 0.90 C ATOM 743 NE ARG A 51 2.124 -1.292 11.387 1.00 1.76 N ATOM 744 CZ ARG A 51 2.958 -2.014 12.148 1.00 2.17 C ATOM 745 NH1 ARG A 51 2.585 -3.201 12.624 1.00 2.08 N ATOM 746 NH2 ARG A 51 4.117 -1.487 12.508 1.00 3.21 N ATOM 0 H ARG A 51 2.065 0.730 7.780 1.00 0.65 H new ATOM 0 HA ARG A 51 3.389 -0.905 9.608 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.439 -1.517 7.356 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.984 -2.731 8.496 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.593 -0.174 9.377 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.285 -1.634 8.967 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.041 -1.522 11.390 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.927 -2.885 10.737 1.00 0.90 H new ATOM 0 HE ARG A 51 2.364 -0.314 11.226 1.00 1.76 H new ATOM 0 HH11 ARG A 51 1.658 -3.568 12.410 1.00 2.08 H new ATOM 0 HH12 ARG A 51 3.227 -3.743 13.202 1.00 2.08 H new ATOM 0 HH21 ARG A 51 4.364 -0.544 12.206 1.00 3.21 H new ATOM 0 HH22 ARG A 51 4.763 -2.023 13.087 1.00 3.21 H new ATOM 760 N LEU A 52 4.125 -1.522 6.456 1.00 0.60 N ATOM 761 CA LEU A 52 5.091 -2.149 5.571 1.00 0.55 C ATOM 762 C LEU A 52 6.482 -1.519 5.637 1.00 0.46 C ATOM 763 O LEU A 52 7.480 -2.236 5.589 1.00 0.45 O ATOM 764 CB LEU A 52 4.579 -2.191 4.134 1.00 0.61 C ATOM 765 CG LEU A 52 3.348 -3.062 3.912 1.00 0.76 C ATOM 766 CD1 LEU A 52 2.881 -2.978 2.480 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.636 -4.509 4.288 1.00 0.93 C ATOM 0 H LEU A 52 3.373 -1.028 5.974 1.00 0.60 H new ATOM 0 HA LEU A 52 5.204 -3.171 5.933 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.347 -1.174 3.817 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.381 -2.551 3.489 1.00 0.61 H new ATOM 0 HG LEU A 52 2.552 -2.688 4.556 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.002 -3.608 2.347 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.627 -1.945 2.240 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.676 -3.320 1.817 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.744 -5.113 4.122 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.451 -4.889 3.673 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.919 -4.562 5.339 1.00 0.93 H new ATOM 779 N GLU A 53 6.562 -0.205 5.783 1.00 0.45 N ATOM 780 CA GLU A 53 7.859 0.465 5.793 1.00 0.44 C ATOM 781 C GLU A 53 8.658 0.067 7.024 1.00 0.46 C ATOM 782 O GLU A 53 9.859 -0.183 6.943 1.00 0.50 O ATOM 783 CB GLU A 53 7.718 1.997 5.690 1.00 0.52 C ATOM 784 CG GLU A 53 7.305 2.718 6.960 1.00 0.44 C ATOM 785 CD GLU A 53 7.225 4.205 6.774 1.00 0.45 C ATOM 786 OE1 GLU A 53 8.257 4.819 6.437 1.00 0.45 O ATOM 787 OE2 GLU A 53 6.144 4.787 6.959 1.00 0.57 O ATOM 0 H GLU A 53 5.759 0.413 5.895 1.00 0.45 H new ATOM 0 HA GLU A 53 8.405 0.137 4.909 1.00 0.44 H new ATOM 0 HB2 GLU A 53 8.671 2.407 5.358 1.00 0.52 H new ATOM 0 HB3 GLU A 53 6.986 2.222 4.914 1.00 0.52 H new ATOM 0 HG2 GLU A 53 6.336 2.343 7.288 1.00 0.44 H new ATOM 0 HG3 GLU A 53 8.019 2.492 7.752 1.00 0.44 H new ATOM 794 N SER A 54 7.970 -0.037 8.132 1.00 0.49 N ATOM 795 CA SER A 54 8.575 -0.422 9.389 1.00 0.56 C ATOM 796 C SER A 54 9.009 -1.885 9.332 1.00 0.55 C ATOM 797 O SER A 54 10.096 -2.249 9.774 1.00 0.67 O ATOM 798 CB SER A 54 7.566 -0.215 10.522 1.00 0.67 C ATOM 799 OG SER A 54 7.055 1.117 10.507 1.00 1.36 O ATOM 0 H SER A 54 6.968 0.143 8.192 1.00 0.49 H new ATOM 0 HA SER A 54 9.454 0.195 9.573 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.746 -0.925 10.419 1.00 0.67 H new ATOM 0 HB3 SER A 54 8.043 -0.416 11.481 1.00 0.67 H new ATOM 0 HG SER A 54 6.354 1.191 9.826 1.00 1.36 H new ATOM 805 N ARG A 55 8.166 -2.698 8.735 1.00 0.52 N ATOM 806 CA ARG A 55 8.385 -4.125 8.648 1.00 0.57 C ATOM 807 C ARG A 55 9.516 -4.502 7.677 1.00 0.54 C ATOM 808 O ARG A 55 10.281 -5.422 7.943 1.00 0.65 O ATOM 809 CB ARG A 55 7.067 -4.805 8.268 1.00 0.67 C ATOM 810 CG ARG A 55 7.129 -6.309 8.105 1.00 0.77 C ATOM 811 CD ARG A 55 5.736 -6.884 7.933 1.00 0.96 C ATOM 812 NE ARG A 55 4.927 -6.728 9.153 1.00 1.60 N ATOM 813 CZ ARG A 55 3.656 -6.308 9.210 1.00 2.10 C ATOM 814 NH1 ARG A 55 3.067 -5.794 8.147 1.00 1.89 N ATOM 815 NH2 ARG A 55 3.003 -6.360 10.353 1.00 3.10 N ATOM 0 H ARG A 55 7.302 -2.385 8.293 1.00 0.52 H new ATOM 0 HA ARG A 55 8.715 -4.479 9.625 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.325 -4.571 9.031 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.711 -4.371 7.334 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.742 -6.562 7.240 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.608 -6.755 8.977 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.238 -6.387 7.100 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.808 -7.941 7.677 1.00 0.96 H new ATOM 0 HE ARG A 55 5.376 -6.962 10.038 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.580 -5.713 7.269 1.00 1.89 H new ATOM 0 HH12 ARG A 55 2.099 -5.478 8.203 1.00 1.89 H new ATOM 0 HH21 ARG A 55 3.465 -6.719 11.189 1.00 3.10 H new ATOM 0 HH22 ARG A 55 2.035 -6.042 10.402 1.00 3.10 H new ATOM 829 N TYR A 56 9.630 -3.795 6.574 1.00 0.50 N ATOM 830 CA TYR A 56 10.624 -4.153 5.564 1.00 0.57 C ATOM 831 C TYR A 56 11.861 -3.264 5.584 1.00 0.59 C ATOM 832 O TYR A 56 12.808 -3.487 4.816 1.00 0.73 O ATOM 833 CB TYR A 56 9.996 -4.219 4.170 1.00 0.65 C ATOM 834 CG TYR A 56 8.967 -5.323 4.040 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.640 -5.096 4.358 1.00 0.76 C ATOM 836 CD2 TYR A 56 9.331 -6.597 3.624 1.00 0.89 C ATOM 837 CE1 TYR A 56 6.705 -6.096 4.271 1.00 0.91 C ATOM 838 CE2 TYR A 56 8.391 -7.608 3.526 1.00 1.03 C ATOM 839 CZ TYR A 56 7.077 -7.349 3.855 1.00 1.03 C ATOM 840 OH TYR A 56 6.126 -8.348 3.767 1.00 1.21 O ATOM 0 H TYR A 56 9.060 -2.980 6.348 1.00 0.50 H new ATOM 0 HA TYR A 56 10.978 -5.150 5.826 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.526 -3.262 3.943 1.00 0.65 H new ATOM 0 HB3 TYR A 56 10.781 -4.372 3.430 1.00 0.65 H new ATOM 0 HD1 TYR A 56 7.334 -4.112 4.681 1.00 0.76 H new ATOM 0 HD2 TYR A 56 10.361 -6.802 3.374 1.00 0.89 H new ATOM 0 HE1 TYR A 56 5.676 -5.897 4.530 1.00 0.91 H new ATOM 0 HE2 TYR A 56 8.684 -8.593 3.194 1.00 1.03 H new ATOM 0 HH TYR A 56 6.549 -9.176 3.456 1.00 1.21 H new ATOM 850 N GLY A 57 11.860 -2.270 6.443 1.00 0.52 N ATOM 851 CA GLY A 57 13.026 -1.428 6.599 1.00 0.56 C ATOM 852 C GLY A 57 13.153 -0.361 5.533 1.00 0.54 C ATOM 853 O GLY A 57 14.228 -0.163 4.973 1.00 0.68 O ATOM 0 H GLY A 57 11.071 -2.025 7.041 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.989 -0.949 7.577 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.919 -2.053 6.583 1.00 0.56 H new ATOM 857 N VAL A 58 12.071 0.322 5.253 1.00 0.47 N ATOM 858 CA VAL A 58 12.077 1.402 4.277 1.00 0.44 C ATOM 859 C VAL A 58 11.453 2.656 4.872 1.00 0.42 C ATOM 860 O VAL A 58 10.984 2.625 6.016 1.00 0.44 O ATOM 861 CB VAL A 58 11.412 1.042 2.899 1.00 0.46 C ATOM 862 CG1 VAL A 58 12.126 -0.108 2.253 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.951 0.687 3.047 1.00 0.43 C ATOM 0 H VAL A 58 11.164 0.153 5.687 1.00 0.47 H new ATOM 0 HA VAL A 58 13.126 1.586 4.045 1.00 0.44 H new ATOM 0 HB VAL A 58 11.490 1.931 2.273 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.651 -0.342 1.300 1.00 0.55 H new ATOM 0 HG12 VAL A 58 13.169 0.161 2.082 1.00 0.55 H new ATOM 0 HG13 VAL A 58 12.078 -0.979 2.906 1.00 0.55 H new ATOM 0 HG21 VAL A 58 9.534 0.446 2.069 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.851 -0.175 3.707 1.00 0.43 H new ATOM 0 HG23 VAL A 58 9.412 1.534 3.472 1.00 0.43 H new ATOM 873 N SER A 59 11.458 3.733 4.123 1.00 0.43 N ATOM 874 CA SER A 59 10.884 4.979 4.554 1.00 0.48 C ATOM 875 C SER A 59 9.903 5.452 3.498 1.00 0.43 C ATOM 876 O SER A 59 10.300 5.803 2.386 1.00 0.49 O ATOM 877 CB SER A 59 11.984 6.030 4.752 1.00 0.65 C ATOM 878 OG SER A 59 12.963 5.585 5.686 1.00 1.28 O ATOM 0 H SER A 59 11.865 3.766 3.188 1.00 0.43 H new ATOM 0 HA SER A 59 10.369 4.836 5.504 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.461 6.244 3.796 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.541 6.962 5.103 1.00 0.65 H new ATOM 0 HG SER A 59 13.652 6.274 5.791 1.00 1.28 H new ATOM 884 N ILE A 60 8.652 5.423 3.816 1.00 0.39 N ATOM 885 CA ILE A 60 7.631 5.833 2.891 1.00 0.38 C ATOM 886 C ILE A 60 6.961 7.090 3.415 1.00 0.41 C ATOM 887 O ILE A 60 6.388 7.078 4.506 1.00 0.45 O ATOM 888 CB ILE A 60 6.564 4.722 2.679 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.230 3.432 2.160 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.484 5.199 1.706 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.278 2.263 1.995 1.00 0.82 C ATOM 0 H ILE A 60 8.301 5.115 4.723 1.00 0.39 H new ATOM 0 HA ILE A 60 8.103 6.027 1.928 1.00 0.38 H new ATOM 0 HB ILE A 60 6.092 4.505 3.637 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.701 3.641 1.199 1.00 0.45 H new ATOM 0 HG13 ILE A 60 8.025 3.144 2.849 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.745 4.410 1.568 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.997 6.087 2.110 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.940 5.441 0.746 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.827 1.396 1.626 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.825 2.024 2.957 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.497 2.528 1.282 1.00 0.82 H new ATOM 903 N PRO A 61 7.053 8.198 2.684 1.00 0.48 N ATOM 904 CA PRO A 61 6.409 9.439 3.082 1.00 0.55 C ATOM 905 C PRO A 61 4.884 9.302 3.016 1.00 0.49 C ATOM 906 O PRO A 61 4.318 8.962 1.968 1.00 0.43 O ATOM 907 CB PRO A 61 6.914 10.464 2.061 1.00 0.66 C ATOM 908 CG PRO A 61 8.065 9.805 1.376 1.00 0.70 C ATOM 909 CD PRO A 61 7.787 8.339 1.423 1.00 0.58 C ATOM 0 HA PRO A 61 6.641 9.725 4.108 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.132 10.728 1.349 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.224 11.387 2.551 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.157 10.152 0.347 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.004 10.040 1.877 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.195 8.010 0.569 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.705 7.751 1.419 1.00 0.58 H new ATOM 917 N ASP A 62 4.239 9.556 4.139 1.00 0.57 N ATOM 918 CA ASP A 62 2.780 9.397 4.301 1.00 0.56 C ATOM 919 C ASP A 62 1.983 10.216 3.299 1.00 0.48 C ATOM 920 O ASP A 62 0.977 9.748 2.777 1.00 0.46 O ATOM 921 CB ASP A 62 2.324 9.730 5.739 1.00 0.71 C ATOM 922 CG ASP A 62 2.573 11.171 6.143 1.00 1.23 C ATOM 923 OD1 ASP A 62 3.678 11.477 6.642 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.689 12.019 5.975 1.00 1.98 O ATOM 0 H ASP A 62 4.707 9.884 4.984 1.00 0.57 H new ATOM 0 HA ASP A 62 2.574 8.345 4.104 1.00 0.56 H new ATOM 0 HB2 ASP A 62 1.259 9.516 5.831 1.00 0.71 H new ATOM 0 HB3 ASP A 62 2.843 9.072 6.436 1.00 0.71 H new ATOM 929 N ASP A 63 2.469 11.397 2.968 1.00 0.52 N ATOM 930 CA ASP A 63 1.763 12.294 2.053 1.00 0.56 C ATOM 931 C ASP A 63 1.681 11.705 0.641 1.00 0.50 C ATOM 932 O ASP A 63 0.759 12.005 -0.112 1.00 0.60 O ATOM 933 CB ASP A 63 2.401 13.695 2.040 1.00 0.71 C ATOM 934 CG ASP A 63 3.822 13.713 1.527 1.00 1.56 C ATOM 935 OD1 ASP A 63 4.733 13.273 2.256 1.00 2.31 O ATOM 936 OD2 ASP A 63 4.047 14.137 0.374 1.00 2.20 O ATOM 0 H ASP A 63 3.354 11.765 3.317 1.00 0.52 H new ATOM 0 HA ASP A 63 0.743 12.400 2.421 1.00 0.56 H new ATOM 0 HB2 ASP A 63 1.793 14.355 1.422 1.00 0.71 H new ATOM 0 HB3 ASP A 63 2.385 14.101 3.051 1.00 0.71 H new ATOM 941 N VAL A 64 2.602 10.813 0.327 1.00 0.46 N ATOM 942 CA VAL A 64 2.639 10.143 -0.967 1.00 0.48 C ATOM 943 C VAL A 64 1.490 9.148 -1.066 1.00 0.42 C ATOM 944 O VAL A 64 0.924 8.938 -2.134 1.00 0.46 O ATOM 945 CB VAL A 64 3.973 9.385 -1.157 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.017 8.651 -2.497 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.143 10.334 -1.062 1.00 0.63 C ATOM 0 H VAL A 64 3.349 10.529 0.961 1.00 0.46 H new ATOM 0 HA VAL A 64 2.547 10.902 -1.744 1.00 0.48 H new ATOM 0 HB VAL A 64 4.041 8.646 -0.358 1.00 0.54 H new ATOM 0 HG11 VAL A 64 4.969 8.130 -2.595 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.202 7.929 -2.543 1.00 0.64 H new ATOM 0 HG13 VAL A 64 3.911 9.370 -3.309 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.072 9.781 -1.198 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.057 11.096 -1.837 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.146 10.811 -0.082 1.00 0.63 H new ATOM 957 N ALA A 65 1.101 8.591 0.066 1.00 0.45 N ATOM 958 CA ALA A 65 0.041 7.598 0.100 1.00 0.46 C ATOM 959 C ALA A 65 -1.314 8.246 -0.149 1.00 0.44 C ATOM 960 O ALA A 65 -2.281 7.573 -0.449 1.00 0.51 O ATOM 961 CB ALA A 65 0.056 6.830 1.408 1.00 0.56 C ATOM 0 H ALA A 65 1.504 8.810 0.977 1.00 0.45 H new ATOM 0 HA ALA A 65 0.220 6.882 -0.702 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.748 6.093 1.407 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.014 6.322 1.521 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.087 7.522 2.238 1.00 0.56 H new ATOM 967 N GLY A 66 -1.351 9.566 -0.054 1.00 0.48 N ATOM 968 CA GLY A 66 -2.558 10.302 -0.363 1.00 0.57 C ATOM 969 C GLY A 66 -2.600 10.665 -1.833 1.00 0.58 C ATOM 970 O GLY A 66 -3.560 11.252 -2.318 1.00 0.91 O ATOM 0 H GLY A 66 -0.561 10.144 0.234 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.432 9.703 -0.106 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.603 11.207 0.242 1.00 0.57 H new ATOM 974 N ARG A 67 -1.542 10.310 -2.534 1.00 0.43 N ATOM 975 CA ARG A 67 -1.405 10.585 -3.949 1.00 0.48 C ATOM 976 C ARG A 67 -1.488 9.328 -4.798 1.00 0.45 C ATOM 977 O ARG A 67 -1.580 9.430 -6.027 1.00 0.63 O ATOM 978 CB ARG A 67 -0.066 11.217 -4.244 1.00 0.59 C ATOM 979 CG ARG A 67 0.056 12.716 -4.056 1.00 1.35 C ATOM 980 CD ARG A 67 1.468 13.137 -4.451 1.00 1.46 C ATOM 981 NE ARG A 67 1.871 12.459 -5.698 1.00 2.35 N ATOM 982 CZ ARG A 67 3.029 11.810 -5.882 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.084 12.097 -5.126 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.134 10.910 -6.861 1.00 3.92 N ATOM 0 H ARG A 67 -0.745 9.817 -2.132 1.00 0.43 H new ATOM 0 HA ARG A 67 -2.229 11.254 -4.198 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.680 10.737 -3.611 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.196 10.985 -5.276 1.00 0.59 H new ATOM 0 HG2 ARG A 67 -0.680 13.236 -4.669 1.00 1.35 H new ATOM 0 HG3 ARG A 67 -0.144 12.986 -3.019 1.00 1.35 H new ATOM 0 HD2 ARG A 67 1.509 14.218 -4.586 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.166 12.889 -3.652 1.00 1.46 H new ATOM 0 HE ARG A 67 1.218 12.486 -6.481 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.014 12.813 -4.403 1.00 2.42 H new ATOM 0 HH12 ARG A 67 4.964 11.601 -5.269 1.00 2.42 H new ATOM 0 HH21 ARG A 67 2.335 10.718 -7.465 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.013 10.413 -7.005 1.00 3.92 H new ATOM 998 N VAL A 68 -1.436 8.158 -4.184 1.00 0.39 N ATOM 999 CA VAL A 68 -1.383 6.926 -4.962 1.00 0.38 C ATOM 1000 C VAL A 68 -2.709 6.618 -5.638 1.00 0.43 C ATOM 1001 O VAL A 68 -3.737 6.381 -4.988 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.838 5.708 -4.160 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.620 5.931 -3.797 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.651 5.437 -2.911 1.00 0.36 C ATOM 0 H VAL A 68 -1.429 8.032 -3.172 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.653 7.109 -5.751 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.923 4.831 -4.801 1.00 0.34 H new ATOM 0 HG11 VAL A 68 0.991 5.073 -3.236 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.207 6.051 -4.707 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.710 6.830 -3.186 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.234 4.579 -2.384 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.621 6.311 -2.261 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.684 5.226 -3.188 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.679 6.705 -6.945 1.00 0.51 N ATOM 1015 CA ASP A 69 -3.853 6.480 -7.779 1.00 0.65 C ATOM 1016 C ASP A 69 -4.292 5.039 -7.710 1.00 0.52 C ATOM 1017 O ASP A 69 -5.480 4.737 -7.578 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.542 6.854 -9.236 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.690 6.624 -10.196 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.834 7.046 -9.913 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -4.471 6.013 -11.265 1.00 2.20 O ATOM 0 H ASP A 69 -1.837 6.935 -7.472 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.661 7.109 -7.406 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.255 7.905 -9.276 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -2.681 6.276 -9.572 1.00 0.86 H new ATOM 1026 N THR A 70 -3.332 4.149 -7.782 1.00 0.42 N ATOM 1027 CA THR A 70 -3.614 2.742 -7.816 1.00 0.34 C ATOM 1028 C THR A 70 -2.676 1.967 -6.913 1.00 0.30 C ATOM 1029 O THR A 70 -1.608 2.473 -6.520 1.00 0.33 O ATOM 1030 CB THR A 70 -3.442 2.214 -9.246 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.145 2.604 -9.754 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.527 2.742 -10.138 1.00 0.48 C ATOM 0 H THR A 70 -2.340 4.382 -7.818 1.00 0.42 H new ATOM 0 HA THR A 70 -4.639 2.604 -7.471 1.00 0.34 H new ATOM 0 HB THR A 70 -3.511 1.126 -9.231 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.036 2.265 -10.667 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.388 2.356 -11.148 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.498 2.423 -9.758 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.485 3.831 -10.157 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.042 0.712 -6.560 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.172 -0.180 -5.813 1.00 0.33 C ATOM 1042 C PRO A 71 -0.964 -0.546 -6.653 1.00 0.32 C ATOM 1043 O PRO A 71 0.039 -0.984 -6.133 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.038 -1.419 -5.552 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.432 -0.950 -5.748 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.353 0.095 -6.809 1.00 0.35 C ATOM 0 HA PRO A 71 -1.796 0.266 -4.892 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -2.791 -2.227 -6.241 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -2.887 -1.803 -4.543 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.083 -1.770 -6.052 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -4.843 -0.542 -4.824 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.414 -0.337 -7.808 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.163 0.819 -6.725 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.075 -0.331 -7.966 1.00 0.34 N ATOM 1055 CA ARG A 72 0.021 -0.565 -8.876 1.00 0.39 C ATOM 1056 C ARG A 72 1.113 0.446 -8.546 1.00 0.32 C ATOM 1057 O ARG A 72 2.264 0.089 -8.318 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.437 -0.371 -10.329 1.00 0.52 C ATOM 1059 CG ARG A 72 0.481 -1.019 -11.357 1.00 0.93 C ATOM 1060 CD ARG A 72 0.068 -0.695 -12.790 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.387 -0.821 -13.021 1.00 1.31 N ATOM 1062 CZ ARG A 72 -2.011 -1.839 -13.644 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -1.384 -2.990 -13.883 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -3.290 -1.715 -13.976 1.00 1.99 N ATOM 0 H ARG A 72 -1.926 0.008 -8.415 1.00 0.34 H new ATOM 0 HA ARG A 72 0.387 -1.586 -8.769 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.440 -0.783 -10.441 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -0.505 0.696 -10.539 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.504 -0.681 -11.191 1.00 0.93 H new ATOM 0 HG3 ARG A 72 0.475 -2.100 -11.215 1.00 0.93 H new ATOM 0 HD2 ARG A 72 0.380 0.321 -13.030 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.596 -1.361 -13.473 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.975 -0.063 -12.675 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -0.414 -3.112 -13.593 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -1.874 -3.749 -14.356 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -3.792 -0.854 -13.759 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -3.771 -2.481 -14.448 1.00 1.99 H new ATOM 1078 N GLU A 73 0.701 1.709 -8.455 1.00 0.31 N ATOM 1079 CA GLU A 73 1.587 2.806 -8.118 1.00 0.32 C ATOM 1080 C GLU A 73 2.104 2.672 -6.680 1.00 0.26 C ATOM 1081 O GLU A 73 3.285 2.928 -6.401 1.00 0.30 O ATOM 1082 CB GLU A 73 0.858 4.142 -8.321 1.00 0.45 C ATOM 1083 CG GLU A 73 1.673 5.364 -7.952 1.00 0.53 C ATOM 1084 CD GLU A 73 1.042 6.643 -8.405 1.00 1.09 C ATOM 1085 OE1 GLU A 73 -0.059 6.986 -7.901 1.00 1.51 O ATOM 1086 OE2 GLU A 73 1.596 7.319 -9.286 1.00 1.86 O ATOM 0 H GLU A 73 -0.265 1.995 -8.615 1.00 0.31 H new ATOM 0 HA GLU A 73 2.452 2.776 -8.780 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.558 4.223 -9.366 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.056 4.137 -7.727 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.805 5.393 -6.870 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.666 5.279 -8.393 1.00 0.53 H new ATOM 1093 N LEU A 74 1.228 2.251 -5.784 1.00 0.25 N ATOM 1094 CA LEU A 74 1.578 2.065 -4.382 1.00 0.26 C ATOM 1095 C LEU A 74 2.622 0.930 -4.248 1.00 0.24 C ATOM 1096 O LEU A 74 3.623 1.074 -3.538 1.00 0.27 O ATOM 1097 CB LEU A 74 0.277 1.797 -3.556 1.00 0.29 C ATOM 1098 CG LEU A 74 0.346 1.794 -1.997 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.056 0.580 -1.444 1.00 1.30 C ATOM 1100 CD2 LEU A 74 0.997 3.068 -1.476 1.00 1.14 C ATOM 0 H LEU A 74 0.257 2.029 -6.004 1.00 0.25 H new ATOM 0 HA LEU A 74 2.039 2.966 -3.979 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.457 2.547 -3.849 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.115 0.829 -3.868 1.00 0.29 H new ATOM 0 HG LEU A 74 -0.685 1.751 -1.645 1.00 0.33 H new ATOM 0 HD11 LEU A 74 1.073 0.633 -0.355 1.00 1.30 H new ATOM 0 HD12 LEU A 74 0.530 -0.322 -1.755 1.00 1.30 H new ATOM 0 HD13 LEU A 74 2.078 0.553 -1.822 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.032 3.040 -0.387 1.00 1.14 H new ATOM 0 HD22 LEU A 74 2.010 3.146 -1.870 1.00 1.14 H new ATOM 0 HD23 LEU A 74 0.415 3.932 -1.798 1.00 1.14 H new ATOM 1112 N LEU A 75 2.400 -0.169 -4.963 1.00 0.22 N ATOM 1113 CA LEU A 75 3.315 -1.305 -4.956 1.00 0.24 C ATOM 1114 C LEU A 75 4.658 -0.894 -5.560 1.00 0.23 C ATOM 1115 O LEU A 75 5.718 -1.271 -5.048 1.00 0.25 O ATOM 1116 CB LEU A 75 2.711 -2.478 -5.742 1.00 0.28 C ATOM 1117 CG LEU A 75 3.488 -3.795 -5.729 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.579 -4.348 -4.316 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.825 -4.801 -6.650 1.00 0.47 C ATOM 0 H LEU A 75 1.584 -0.297 -5.561 1.00 0.22 H new ATOM 0 HA LEU A 75 3.475 -1.625 -3.927 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.712 -2.670 -5.350 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.592 -2.165 -6.779 1.00 0.28 H new ATOM 0 HG LEU A 75 4.500 -3.605 -6.088 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.135 -5.285 -4.327 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.091 -3.629 -3.676 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.575 -4.526 -3.930 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.387 -5.735 -6.633 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.805 -4.985 -6.314 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.807 -4.407 -7.666 1.00 0.47 H new ATOM 1131 N ASP A 76 4.592 -0.100 -6.635 1.00 0.24 N ATOM 1132 CA ASP A 76 5.783 0.455 -7.302 1.00 0.30 C ATOM 1133 C ASP A 76 6.621 1.241 -6.322 1.00 0.28 C ATOM 1134 O ASP A 76 7.842 1.076 -6.254 1.00 0.31 O ATOM 1135 CB ASP A 76 5.374 1.370 -8.461 1.00 0.40 C ATOM 1136 CG ASP A 76 6.547 2.114 -9.066 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.300 1.520 -9.879 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.753 3.292 -8.731 1.00 0.64 O ATOM 0 H ASP A 76 3.712 0.178 -7.070 1.00 0.24 H new ATOM 0 HA ASP A 76 6.368 -0.379 -7.690 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.890 0.774 -9.235 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.637 2.090 -8.106 1.00 0.40 H new ATOM 1143 N LEU A 77 5.946 2.080 -5.552 1.00 0.27 N ATOM 1144 CA LEU A 77 6.573 2.891 -4.531 1.00 0.29 C ATOM 1145 C LEU A 77 7.358 2.025 -3.560 1.00 0.28 C ATOM 1146 O LEU A 77 8.549 2.261 -3.333 1.00 0.33 O ATOM 1147 CB LEU A 77 5.507 3.702 -3.780 1.00 0.32 C ATOM 1148 CG LEU A 77 5.970 4.449 -2.525 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.051 5.462 -2.848 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.790 5.116 -1.848 1.00 0.63 C ATOM 0 H LEU A 77 4.937 2.215 -5.622 1.00 0.27 H new ATOM 0 HA LEU A 77 7.269 3.578 -5.012 1.00 0.29 H new ATOM 0 HB2 LEU A 77 5.082 4.429 -4.472 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.702 3.025 -3.496 1.00 0.32 H new ATOM 0 HG LEU A 77 6.402 3.721 -1.838 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.355 5.973 -1.935 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.911 4.951 -3.282 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.665 6.191 -3.560 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.132 5.644 -0.958 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.329 5.825 -2.536 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.059 4.360 -1.563 1.00 0.63 H new ATOM 1162 N ILE A 78 6.707 1.006 -3.032 1.00 0.25 N ATOM 1163 CA ILE A 78 7.332 0.139 -2.068 1.00 0.28 C ATOM 1164 C ILE A 78 8.462 -0.671 -2.701 1.00 0.30 C ATOM 1165 O ILE A 78 9.570 -0.662 -2.195 1.00 0.34 O ATOM 1166 CB ILE A 78 6.321 -0.812 -1.398 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.183 -0.010 -0.759 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.032 -1.639 -0.335 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.157 -0.865 -0.046 1.00 0.51 C ATOM 0 H ILE A 78 5.743 0.763 -3.259 1.00 0.25 H new ATOM 0 HA ILE A 78 7.748 0.786 -1.296 1.00 0.28 H new ATOM 0 HB ILE A 78 5.899 -1.475 -2.153 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.606 0.701 -0.049 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.682 0.572 -1.533 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.318 -2.312 0.140 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.827 -2.222 -0.799 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.460 -0.975 0.416 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.384 -0.226 0.380 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.705 -1.558 -0.755 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.643 -1.427 0.751 1.00 0.51 H new ATOM 1181 N ASN A 79 8.182 -1.359 -3.809 1.00 0.34 N ATOM 1182 CA ASN A 79 9.206 -2.203 -4.468 1.00 0.43 C ATOM 1183 C ASN A 79 10.430 -1.404 -4.883 1.00 0.46 C ATOM 1184 O ASN A 79 11.569 -1.885 -4.752 1.00 0.50 O ATOM 1185 CB ASN A 79 8.655 -3.029 -5.655 1.00 0.55 C ATOM 1186 CG ASN A 79 7.898 -4.302 -5.244 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.909 -5.302 -5.961 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.241 -4.285 -4.108 1.00 0.84 N ATOM 0 H ASN A 79 7.272 -1.356 -4.271 1.00 0.34 H new ATOM 0 HA ASN A 79 9.515 -2.920 -3.708 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.988 -2.398 -6.243 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.485 -3.308 -6.304 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.726 -5.111 -3.804 1.00 0.84 H new ATOM 0 HD22 ASN A 79 7.245 -3.445 -3.529 1.00 0.84 H new ATOM 1195 N GLY A 80 10.207 -0.184 -5.351 1.00 0.47 N ATOM 1196 CA GLY A 80 11.303 0.696 -5.691 1.00 0.56 C ATOM 1197 C GLY A 80 12.111 1.050 -4.460 1.00 0.55 C ATOM 1198 O GLY A 80 13.335 0.926 -4.456 1.00 0.63 O ATOM 0 H GLY A 80 9.279 0.213 -5.502 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.946 0.215 -6.428 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.916 1.605 -6.151 1.00 0.56 H new ATOM 1202 N ALA A 81 11.410 1.429 -3.391 1.00 0.49 N ATOM 1203 CA ALA A 81 12.041 1.783 -2.123 1.00 0.53 C ATOM 1204 C ALA A 81 12.838 0.607 -1.565 1.00 0.50 C ATOM 1205 O ALA A 81 13.943 0.784 -1.076 1.00 0.61 O ATOM 1206 CB ALA A 81 10.997 2.243 -1.113 1.00 0.53 C ATOM 0 H ALA A 81 10.392 1.499 -3.381 1.00 0.49 H new ATOM 0 HA ALA A 81 12.730 2.607 -2.308 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.488 2.502 -0.175 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.474 3.117 -1.502 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.281 1.440 -0.938 1.00 0.53 H new ATOM 1212 N LEU A 82 12.266 -0.588 -1.672 1.00 0.42 N ATOM 1213 CA LEU A 82 12.901 -1.828 -1.221 1.00 0.44 C ATOM 1214 C LEU A 82 14.190 -2.077 -1.977 1.00 0.56 C ATOM 1215 O LEU A 82 15.217 -2.377 -1.382 1.00 0.74 O ATOM 1216 CB LEU A 82 11.954 -3.017 -1.422 1.00 0.40 C ATOM 1217 CG LEU A 82 10.682 -3.020 -0.581 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.749 -4.112 -1.048 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.019 -3.221 0.882 1.00 0.46 C ATOM 0 H LEU A 82 11.340 -0.727 -2.077 1.00 0.42 H new ATOM 0 HA LEU A 82 13.128 -1.723 -0.160 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.669 -3.053 -2.473 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.506 -3.933 -1.210 1.00 0.40 H new ATOM 0 HG LEU A 82 10.187 -2.056 -0.700 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.845 -4.103 -0.439 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.485 -3.943 -2.092 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.243 -5.079 -0.950 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.101 -3.221 1.470 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.532 -4.174 1.010 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.667 -2.412 1.221 1.00 0.46 H new ATOM 1231 N ALA A 83 14.136 -1.922 -3.293 1.00 0.56 N ATOM 1232 CA ALA A 83 15.301 -2.129 -4.143 1.00 0.71 C ATOM 1233 C ALA A 83 16.396 -1.129 -3.793 1.00 0.84 C ATOM 1234 O ALA A 83 17.571 -1.471 -3.736 1.00 1.00 O ATOM 1235 CB ALA A 83 14.917 -2.016 -5.613 1.00 0.78 C ATOM 0 H ALA A 83 13.292 -1.652 -3.798 1.00 0.56 H new ATOM 0 HA ALA A 83 15.685 -3.134 -3.968 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.800 -2.173 -6.233 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.167 -2.770 -5.852 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.509 -1.024 -5.807 1.00 0.78 H new ATOM 1241 N GLU A 84 15.994 0.084 -3.506 1.00 0.89 N ATOM 1242 CA GLU A 84 16.920 1.145 -3.146 1.00 1.12 C ATOM 1243 C GLU A 84 17.358 1.046 -1.679 1.00 1.10 C ATOM 1244 O GLU A 84 18.184 1.816 -1.225 1.00 1.37 O ATOM 1245 CB GLU A 84 16.287 2.503 -3.428 1.00 1.34 C ATOM 1246 CG GLU A 84 15.965 2.733 -4.893 1.00 1.96 C ATOM 1247 CD GLU A 84 17.197 2.791 -5.754 1.00 2.48 C ATOM 1248 OE1 GLU A 84 17.744 1.727 -6.091 1.00 3.17 O ATOM 1249 OE2 GLU A 84 17.665 3.906 -6.110 1.00 2.77 O ATOM 0 H GLU A 84 15.015 0.371 -3.514 1.00 0.89 H new ATOM 0 HA GLU A 84 17.815 1.033 -3.757 1.00 1.12 H new ATOM 0 HB2 GLU A 84 15.371 2.595 -2.845 1.00 1.34 H new ATOM 0 HB3 GLU A 84 16.963 3.287 -3.086 1.00 1.34 H new ATOM 0 HG2 GLU A 84 15.315 1.933 -5.248 1.00 1.96 H new ATOM 0 HG3 GLU A 84 15.409 3.665 -4.997 1.00 1.96 H new ATOM 1256 N ALA A 85 16.811 0.092 -0.955 1.00 1.08 N ATOM 1257 CA ALA A 85 17.146 -0.105 0.447 1.00 1.24 C ATOM 1258 C ALA A 85 17.954 -1.382 0.613 1.00 1.57 C ATOM 1259 O ALA A 85 18.050 -1.945 1.713 1.00 1.86 O ATOM 1260 CB ALA A 85 15.879 -0.168 1.289 1.00 1.36 C ATOM 0 H ALA A 85 16.123 -0.569 -1.317 1.00 1.08 H new ATOM 0 HA ALA A 85 17.746 0.739 0.788 1.00 1.24 H new ATOM 0 HB1 ALA A 85 16.145 -0.316 2.336 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.325 0.765 1.183 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.259 -0.998 0.952 1.00 1.36 H new ATOM 1266 N ALA A 86 18.532 -1.831 -0.469 1.00 2.28 N ATOM 1267 CA ALA A 86 19.337 -3.020 -0.463 1.00 2.95 C ATOM 1268 C ALA A 86 20.739 -2.687 0.025 1.00 3.59 C ATOM 1269 O ALA A 86 21.033 -2.908 1.209 1.00 4.18 O ATOM 1270 CB ALA A 86 19.367 -3.644 -1.847 1.00 3.65 C ATOM 1271 OXT ALA A 86 21.546 -2.150 -0.751 1.00 3.96 O ATOM 0 H ALA A 86 18.457 -1.380 -1.381 1.00 2.28 H new ATOM 0 HA ALA A 86 18.900 -3.749 0.219 1.00 2.95 H new ATOM 0 HB1 ALA A 86 19.981 -4.544 -1.827 1.00 3.65 H new ATOM 0 HB2 ALA A 86 18.353 -3.903 -2.151 1.00 3.65 H new ATOM 0 HB3 ALA A 86 19.789 -2.933 -2.558 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -6.855 10.172 0.283 1.00 1.02 P HETATM 1279 O26 SXV A 87 -7.008 9.767 -1.197 1.00 1.46 O HETATM 1280 O23 SXV A 87 -7.989 9.790 1.254 1.00 1.45 O HETATM 1281 O27 SXV A 87 -6.595 11.687 0.381 1.00 1.00 O HETATM 1282 C28 SXV A 87 -6.380 12.236 1.728 1.00 1.26 C HETATM 1283 C29 SXV A 87 -5.851 13.665 1.671 1.00 1.33 C HETATM 1284 C30 SXV A 87 -5.648 14.091 3.109 1.00 1.50 C HETATM 1285 C31 SXV A 87 -4.507 13.688 0.929 1.00 1.44 C HETATM 1286 C32 SXV A 87 -6.897 14.611 0.930 1.00 1.82 C HETATM 1287 O33 SXV A 87 -7.242 14.073 -0.358 1.00 2.23 O HETATM 1288 C34 SXV A 87 -6.349 16.018 0.701 1.00 2.37 C HETATM 1289 O35 SXV A 87 -5.841 16.713 1.602 1.00 2.83 O HETATM 1290 N36 SXV A 87 -6.486 16.426 -0.527 1.00 3.05 N HETATM 1291 C37 SXV A 87 -6.058 17.720 -1.043 1.00 4.03 C HETATM 1292 C38 SXV A 87 -5.881 17.714 -2.557 1.00 4.86 C HETATM 1293 C39 SXV A 87 -5.093 18.912 -3.073 1.00 5.59 C HETATM 1294 O40 SXV A 87 -4.754 19.858 -2.328 1.00 5.87 O HETATM 1295 N41 SXV A 87 -4.802 18.857 -4.352 1.00 6.22 N HETATM 1296 C42 SXV A 87 -4.055 19.861 -5.069 1.00 7.18 C HETATM 1297 C43 SXV A 87 -3.488 19.311 -6.365 1.00 7.81 C HETATM 1298 S1 SXV A 87 -2.303 20.421 -7.145 1.00 8.59 S HETATM 1299 C1 SXV A 87 -3.332 21.882 -7.423 1.00 9.00 C HETATM 1300 C2 SXV A 87 -2.588 23.008 -8.119 1.00 9.66 C HETATM 1301 C3 SXV A 87 -2.169 22.654 -9.536 1.00 10.13 C HETATM 1302 O3 SXV A 87 -3.014 22.508 -10.446 1.00 10.24 O HETATM 1303 C4 SXV A 87 -0.696 22.487 -9.815 1.00 10.73 C HETATM 0 HO33 SXV A 87 -6.800 13.207 -0.480 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -5.128 18.045 -4.877 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -6.931 15.786 -1.184 1.00 3.05 H new HETATM 0 H43A SXV A 87 -3.004 18.355 -6.166 1.00 7.81 H new HETATM 0 H42A SXV A 87 -4.701 20.712 -5.285 1.00 7.18 H new HETATM 0 H38A SXV A 87 -5.372 16.797 -2.853 1.00 4.86 H new HETATM 0 H37A SXV A 87 -6.792 18.478 -0.769 1.00 4.03 H new HETATM 0 H31B SXV A 87 -3.790 13.058 1.455 1.00 1.44 H new HETATM 0 H31A SXV A 87 -4.645 13.313 -0.085 1.00 1.44 H new HETATM 0 H30B SXV A 87 -6.599 14.044 3.640 1.00 1.50 H new HETATM 0 H30A SXV A 87 -4.931 13.424 3.588 1.00 1.50 H new HETATM 0 H28A SXV A 87 -7.317 12.216 2.284 1.00 1.26 H new HETATM 0 H4B SXV A 87 -0.175 23.417 -9.589 1.00 10.73 H new HETATM 0 H4A SXV A 87 -0.296 21.687 -9.192 1.00 10.73 H new HETATM 0 H43 SXV A 87 -4.306 19.117 -7.059 1.00 7.81 H new HETATM 0 H42 SXV A 87 -3.243 20.229 -4.442 1.00 7.18 H new HETATM 0 H4 SXV A 87 -0.551 22.236 -10.866 1.00 10.73 H new HETATM 0 H38 SXV A 87 -6.862 17.701 -3.031 1.00 4.86 H new HETATM 0 H37 SXV A 87 -5.117 18.003 -0.571 1.00 4.03 H new HETATM 0 H32 SXV A 87 -7.769 14.663 1.583 1.00 1.82 H new HETATM 0 H31 SXV A 87 -4.131 14.710 0.889 1.00 1.44 H new HETATM 0 H30 SXV A 87 -5.268 15.112 3.136 1.00 1.50 H new HETATM 0 H2A SXV A 87 -3.222 23.894 -8.144 1.00 9.66 H new HETATM 0 H28 SXV A 87 -5.674 11.607 2.270 1.00 1.26 H new HETATM 0 H2 SXV A 87 -1.703 23.265 -7.538 1.00 9.66 H new HETATM 0 H1A SXV A 87 -4.198 21.601 -8.023 1.00 9.00 H new HETATM 0 H1 SXV A 87 -3.710 22.241 -6.466 1.00 9.00 H new