USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 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 46 MET CE :methyl 176:sc= -2.11 (180deg=-2.18) USER MOD Set 1.2: A 87 SXA O33 : rot -116:sc= 0.247 USER MOD Set 2.1: A 40 TYR OH : rot -5:sc= -0.544 USER MOD Set 2.2: A 48 THR OG1 : rot 62:sc= 0.532 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0774 (180deg=-0.407) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0269 (180deg=-0.124) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -64:sc= 1.07 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -70:sc= 1.36 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -101:sc= 0.0634 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 79:sc= 1.17 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 39:sc= 0.0121 USER MOD Single : A 70 THR OG1 : rot -80:sc= 0.838 USER MOD Single : A 79 ASN : amide:sc= -0.853 X(o=-0.85,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.710 -6.722 -2.892 1.00 4.19 N ATOM 2 CA MET A 1 19.333 -6.884 -3.375 1.00 3.33 C ATOM 3 C MET A 1 18.374 -6.106 -2.498 1.00 2.81 C ATOM 4 O MET A 1 18.603 -5.958 -1.297 1.00 3.10 O ATOM 5 CB MET A 1 18.938 -8.378 -3.413 1.00 3.38 C ATOM 6 CG MET A 1 19.009 -9.100 -2.069 1.00 4.12 C ATOM 7 SD MET A 1 18.679 -10.873 -2.194 1.00 4.79 S ATOM 8 CE MET A 1 17.002 -10.874 -2.822 1.00 5.54 C ATOM 0 H1 MET A 1 21.186 -7.647 -2.882 1.00 4.19 H new ATOM 0 H2 MET A 1 21.225 -6.074 -3.522 1.00 4.19 H new ATOM 0 H3 MET A 1 20.696 -6.330 -1.929 1.00 4.19 H new ATOM 0 HA MET A 1 19.276 -6.491 -4.390 1.00 3.33 H new ATOM 0 HB2 MET A 1 17.922 -8.460 -3.799 1.00 3.38 H new ATOM 0 HB3 MET A 1 19.589 -8.892 -4.119 1.00 3.38 H new ATOM 0 HG2 MET A 1 19.998 -8.951 -1.636 1.00 4.12 H new ATOM 0 HG3 MET A 1 18.290 -8.651 -1.384 1.00 4.12 H new ATOM 0 HE1 MET A 1 16.569 -11.867 -2.701 1.00 5.54 H new ATOM 0 HE2 MET A 1 16.406 -10.148 -2.269 1.00 5.54 H new ATOM 0 HE3 MET A 1 17.009 -10.608 -3.879 1.00 5.54 H new ATOM 20 N ALA A 2 17.324 -5.588 -3.087 1.00 2.62 N ATOM 21 CA ALA A 2 16.324 -4.869 -2.335 1.00 2.47 C ATOM 22 C ALA A 2 15.267 -5.845 -1.856 1.00 1.86 C ATOM 23 O ALA A 2 15.004 -6.857 -2.522 1.00 1.91 O ATOM 24 CB ALA A 2 15.696 -3.774 -3.191 1.00 3.03 C ATOM 0 H ALA A 2 17.139 -5.651 -4.088 1.00 2.62 H new ATOM 0 HA ALA A 2 16.792 -4.392 -1.473 1.00 2.47 H new ATOM 0 HB1 ALA A 2 14.944 -3.242 -2.608 1.00 3.03 H new ATOM 0 HB2 ALA A 2 16.468 -3.075 -3.511 1.00 3.03 H new ATOM 0 HB3 ALA A 2 15.226 -4.221 -4.067 1.00 3.03 H new ATOM 30 N THR A 3 14.693 -5.580 -0.706 1.00 1.56 N ATOM 31 CA THR A 3 13.655 -6.427 -0.182 1.00 1.14 C ATOM 32 C THR A 3 12.373 -6.109 -0.942 1.00 0.93 C ATOM 33 O THR A 3 11.788 -5.055 -0.764 1.00 1.17 O ATOM 34 CB THR A 3 13.429 -6.103 1.314 1.00 1.54 C ATOM 35 OG1 THR A 3 14.683 -6.146 2.027 1.00 1.88 O ATOM 36 CG2 THR A 3 12.459 -7.098 1.947 1.00 1.93 C ATOM 0 H THR A 3 14.930 -4.782 -0.116 1.00 1.56 H new ATOM 0 HA THR A 3 13.932 -7.476 -0.290 1.00 1.14 H new ATOM 0 HB THR A 3 13.002 -5.102 1.379 1.00 1.54 H new ATOM 0 HG1 THR A 3 14.529 -5.938 2.972 1.00 1.88 H new ATOM 0 HG21 THR A 3 12.317 -6.849 2.999 1.00 1.93 H new ATOM 0 HG22 THR A 3 11.501 -7.051 1.430 1.00 1.93 H new ATOM 0 HG23 THR A 3 12.866 -8.106 1.865 1.00 1.93 H new ATOM 44 N LEU A 4 11.971 -6.974 -1.818 1.00 0.66 N ATOM 45 CA LEU A 4 10.777 -6.718 -2.564 1.00 0.56 C ATOM 46 C LEU A 4 9.589 -7.239 -1.791 1.00 0.50 C ATOM 47 O LEU A 4 9.517 -8.432 -1.454 1.00 0.76 O ATOM 48 CB LEU A 4 10.849 -7.332 -3.961 1.00 0.65 C ATOM 49 CG LEU A 4 12.038 -6.889 -4.830 1.00 0.79 C ATOM 50 CD1 LEU A 4 11.966 -7.535 -6.195 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.092 -5.371 -4.960 1.00 0.86 C ATOM 0 H LEU A 4 12.443 -7.852 -2.034 1.00 0.66 H new ATOM 0 HA LEU A 4 10.667 -5.642 -2.702 1.00 0.56 H new ATOM 0 HB2 LEU A 4 10.883 -8.417 -3.859 1.00 0.65 H new ATOM 0 HB3 LEU A 4 9.927 -7.091 -4.491 1.00 0.65 H new ATOM 0 HG LEU A 4 12.953 -7.216 -4.337 1.00 0.79 H new ATOM 0 HD11 LEU A 4 12.815 -7.210 -6.796 1.00 0.96 H new ATOM 0 HD12 LEU A 4 11.992 -8.619 -6.086 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.039 -7.242 -6.688 1.00 0.96 H new ATOM 0 HD21 LEU A 4 12.943 -5.089 -5.580 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.172 -5.012 -5.422 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.200 -4.925 -3.971 1.00 0.86 H new ATOM 63 N LEU A 5 8.695 -6.348 -1.457 1.00 0.36 N ATOM 64 CA LEU A 5 7.522 -6.712 -0.706 1.00 0.36 C ATOM 65 C LEU A 5 6.563 -7.506 -1.562 1.00 0.39 C ATOM 66 O LEU A 5 6.483 -7.301 -2.786 1.00 0.52 O ATOM 67 CB LEU A 5 6.828 -5.489 -0.107 1.00 0.42 C ATOM 68 CG LEU A 5 7.665 -4.629 0.837 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.790 -3.592 1.512 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.390 -5.486 1.866 1.00 0.54 C ATOM 0 H LEU A 5 8.757 -5.358 -1.695 1.00 0.36 H new ATOM 0 HA LEU A 5 7.848 -7.340 0.123 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.480 -4.859 -0.925 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.944 -5.828 0.433 1.00 0.42 H new ATOM 0 HG LEU A 5 8.424 -4.113 0.249 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.397 -2.984 2.183 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.334 -2.953 0.756 1.00 0.61 H new ATOM 0 HD13 LEU A 5 6.008 -4.092 2.083 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.978 -4.846 2.524 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.661 -6.041 2.456 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.051 -6.186 1.355 1.00 0.54 H new ATOM 82 N THR A 6 5.868 -8.395 -0.932 1.00 0.36 N ATOM 83 CA THR A 6 4.944 -9.256 -1.592 1.00 0.41 C ATOM 84 C THR A 6 3.525 -8.766 -1.371 1.00 0.30 C ATOM 85 O THR A 6 3.315 -7.702 -0.745 1.00 0.24 O ATOM 86 CB THR A 6 5.084 -10.710 -1.068 1.00 0.56 C ATOM 87 OG1 THR A 6 4.911 -10.744 0.377 1.00 0.59 O ATOM 88 CG2 THR A 6 6.444 -11.291 -1.430 1.00 0.79 C ATOM 0 H THR A 6 5.928 -8.546 0.075 1.00 0.36 H new ATOM 0 HA THR A 6 5.166 -9.245 -2.659 1.00 0.41 H new ATOM 0 HB THR A 6 4.309 -11.313 -1.541 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.633 -10.238 0.805 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.517 -12.311 -1.051 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.560 -11.297 -2.514 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.230 -10.682 -0.984 1.00 0.79 H new ATOM 96 N THR A 7 2.566 -9.523 -1.865 1.00 0.33 N ATOM 97 CA THR A 7 1.173 -9.255 -1.654 1.00 0.32 C ATOM 98 C THR A 7 0.866 -9.177 -0.159 1.00 0.24 C ATOM 99 O THR A 7 0.258 -8.224 0.283 1.00 0.26 O ATOM 100 CB THR A 7 0.312 -10.340 -2.324 1.00 0.44 C ATOM 101 OG1 THR A 7 0.597 -10.355 -3.732 1.00 0.55 O ATOM 102 CG2 THR A 7 -1.170 -10.068 -2.115 1.00 0.55 C ATOM 0 H THR A 7 2.744 -10.352 -2.432 1.00 0.33 H new ATOM 0 HA THR A 7 0.932 -8.293 -2.107 1.00 0.32 H new ATOM 0 HB THR A 7 0.551 -11.304 -1.875 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.054 -11.045 -4.168 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.755 -10.850 -2.599 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.391 -10.057 -1.048 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.427 -9.102 -2.549 1.00 0.55 H new ATOM 110 N ASP A 8 1.314 -10.178 0.610 1.00 0.28 N ATOM 111 CA ASP A 8 1.040 -10.229 2.064 1.00 0.31 C ATOM 112 C ASP A 8 1.574 -9.004 2.800 1.00 0.24 C ATOM 113 O ASP A 8 0.920 -8.496 3.699 1.00 0.28 O ATOM 114 CB ASP A 8 1.577 -11.509 2.716 1.00 0.46 C ATOM 115 CG ASP A 8 1.223 -11.599 4.202 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.075 -11.882 4.549 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.107 -11.347 5.066 1.00 1.61 O ATOM 0 H ASP A 8 1.865 -10.961 0.259 1.00 0.28 H new ATOM 0 HA ASP A 8 -0.046 -10.232 2.155 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.171 -12.376 2.195 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.660 -11.546 2.600 1.00 0.46 H new ATOM 122 N ASP A 9 2.727 -8.497 2.372 1.00 0.24 N ATOM 123 CA ASP A 9 3.340 -7.309 3.016 1.00 0.28 C ATOM 124 C ASP A 9 2.471 -6.105 2.805 1.00 0.24 C ATOM 125 O ASP A 9 2.246 -5.305 3.716 1.00 0.30 O ATOM 126 CB ASP A 9 4.732 -6.993 2.453 1.00 0.38 C ATOM 127 CG ASP A 9 5.744 -8.080 2.679 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.170 -8.273 3.849 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.126 -8.756 1.714 1.00 1.78 O ATOM 0 H ASP A 9 3.262 -8.876 1.591 1.00 0.24 H new ATOM 0 HA ASP A 9 3.436 -7.543 4.076 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.646 -6.808 1.382 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.096 -6.072 2.908 1.00 0.38 H new ATOM 134 N LEU A 10 1.974 -5.988 1.599 1.00 0.19 N ATOM 135 CA LEU A 10 1.107 -4.904 1.232 1.00 0.23 C ATOM 136 C LEU A 10 -0.243 -5.096 1.921 1.00 0.24 C ATOM 137 O LEU A 10 -0.801 -4.166 2.486 1.00 0.30 O ATOM 138 CB LEU A 10 0.946 -4.891 -0.287 1.00 0.27 C ATOM 139 CG LEU A 10 0.164 -3.730 -0.889 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.873 -2.407 -0.627 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.021 -3.953 -2.372 1.00 0.47 C ATOM 0 H LEU A 10 2.162 -6.647 0.843 1.00 0.19 H new ATOM 0 HA LEU A 10 1.529 -3.949 1.547 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.940 -4.897 -0.733 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.457 -5.819 -0.584 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.816 -3.683 -0.415 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.297 -1.592 -1.066 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.964 -2.250 0.448 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.866 -2.431 -1.075 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.581 -3.120 -2.798 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.954 -4.019 -2.854 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.570 -4.880 -2.535 1.00 0.47 H new ATOM 153 N ARG A 11 -0.731 -6.326 1.876 1.00 0.24 N ATOM 154 CA ARG A 11 -1.983 -6.735 2.499 1.00 0.30 C ATOM 155 C ARG A 11 -1.990 -6.368 3.984 1.00 0.33 C ATOM 156 O ARG A 11 -2.977 -5.848 4.479 1.00 0.38 O ATOM 157 CB ARG A 11 -2.217 -8.243 2.265 1.00 0.36 C ATOM 158 CG ARG A 11 -3.590 -8.762 2.662 1.00 0.51 C ATOM 159 CD ARG A 11 -3.801 -10.196 2.170 1.00 0.73 C ATOM 160 NE ARG A 11 -2.840 -11.134 2.757 1.00 0.97 N ATOM 161 CZ ARG A 11 -2.522 -12.359 2.284 1.00 1.30 C ATOM 162 NH1 ARG A 11 -3.013 -12.790 1.140 1.00 1.81 N ATOM 163 NH2 ARG A 11 -1.659 -13.105 2.933 1.00 1.98 N ATOM 0 H ARG A 11 -0.256 -7.088 1.393 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.811 -6.198 2.038 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.058 -8.458 1.208 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.463 -8.800 2.820 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.696 -8.727 3.746 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.361 -8.114 2.246 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.814 -10.516 2.415 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.713 -10.222 1.084 1.00 0.73 H new ATOM 0 HE ARG A 11 -2.364 -10.832 3.607 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -3.642 -12.197 0.599 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -2.764 -13.717 0.795 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -1.231 -12.760 3.792 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -1.417 -14.030 2.579 1.00 1.98 H new ATOM 177 N ARG A 12 -0.857 -6.604 4.665 1.00 0.33 N ATOM 178 CA ARG A 12 -0.676 -6.224 6.074 1.00 0.39 C ATOM 179 C ARG A 12 -0.973 -4.746 6.291 1.00 0.39 C ATOM 180 O ARG A 12 -1.668 -4.366 7.242 1.00 0.48 O ATOM 181 CB ARG A 12 0.755 -6.517 6.556 1.00 0.49 C ATOM 182 CG ARG A 12 1.052 -7.966 6.875 1.00 0.77 C ATOM 183 CD ARG A 12 2.490 -8.132 7.351 1.00 0.90 C ATOM 184 NE ARG A 12 2.740 -9.472 7.896 1.00 1.28 N ATOM 185 CZ ARG A 12 3.915 -10.121 7.872 1.00 1.77 C ATOM 186 NH1 ARG A 12 4.986 -9.569 7.312 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.017 -11.325 8.420 1.00 2.59 N ATOM 0 H ARG A 12 -0.043 -7.062 4.255 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.380 -6.823 6.651 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.454 -6.182 5.789 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.949 -5.920 7.447 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.366 -8.322 7.644 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.884 -8.580 5.990 1.00 0.77 H new ATOM 0 HD2 ARG A 12 3.170 -7.946 6.520 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.708 -7.384 8.114 1.00 0.90 H new ATOM 0 HE ARG A 12 1.952 -9.952 8.331 1.00 1.28 H new ATOM 0 HH11 ARG A 12 4.922 -8.641 6.893 1.00 2.08 H new ATOM 0 HH12 ARG A 12 5.873 -10.073 7.301 1.00 2.08 H new ATOM 0 HH21 ARG A 12 3.203 -11.756 8.859 1.00 2.59 H new ATOM 0 HH22 ARG A 12 4.909 -11.819 8.403 1.00 2.59 H new ATOM 201 N ALA A 13 -0.456 -3.920 5.402 1.00 0.35 N ATOM 202 CA ALA A 13 -0.647 -2.490 5.495 1.00 0.41 C ATOM 203 C ALA A 13 -2.096 -2.122 5.193 1.00 0.42 C ATOM 204 O ALA A 13 -2.687 -1.287 5.883 1.00 0.50 O ATOM 205 CB ALA A 13 0.308 -1.761 4.567 1.00 0.48 C ATOM 0 H ALA A 13 0.103 -4.220 4.603 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.426 -2.177 6.516 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.148 -0.686 4.652 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.335 -1.998 4.843 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.127 -2.075 3.539 1.00 0.48 H new ATOM 211 N LEU A 14 -2.679 -2.782 4.195 1.00 0.41 N ATOM 212 CA LEU A 14 -4.062 -2.526 3.833 1.00 0.49 C ATOM 213 C LEU A 14 -5.035 -2.914 4.930 1.00 0.55 C ATOM 214 O LEU A 14 -5.971 -2.183 5.186 1.00 0.72 O ATOM 215 CB LEU A 14 -4.475 -3.125 2.474 1.00 0.51 C ATOM 216 CG LEU A 14 -4.163 -2.280 1.216 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.681 -2.109 0.983 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.829 -2.872 -0.004 1.00 0.92 C ATOM 0 H LEU A 14 -2.215 -3.492 3.629 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.119 -1.444 3.713 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.983 -4.091 2.365 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.548 -3.315 2.498 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.572 -1.286 1.395 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.520 -1.508 0.088 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.233 -1.608 1.841 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.218 -3.087 0.852 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.597 -2.262 -0.877 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.463 -3.887 -0.162 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.908 -2.895 0.146 1.00 0.92 H new ATOM 230 N VAL A 15 -4.805 -4.035 5.578 1.00 0.51 N ATOM 231 CA VAL A 15 -5.643 -4.457 6.705 1.00 0.60 C ATOM 232 C VAL A 15 -5.605 -3.375 7.801 1.00 0.58 C ATOM 233 O VAL A 15 -6.654 -2.846 8.218 1.00 0.66 O ATOM 234 CB VAL A 15 -5.149 -5.816 7.290 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.940 -6.191 8.532 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.288 -6.923 6.254 1.00 0.76 C ATOM 0 H VAL A 15 -4.047 -4.679 5.352 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.665 -4.590 6.349 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.099 -5.700 7.559 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.577 -7.142 8.921 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.816 -5.418 9.290 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.996 -6.283 8.277 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -4.939 -7.864 6.678 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.334 -7.021 5.965 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.690 -6.677 5.376 1.00 0.76 H new ATOM 246 N GLU A 16 -4.396 -3.035 8.226 1.00 0.55 N ATOM 247 CA GLU A 16 -4.178 -2.047 9.268 1.00 0.63 C ATOM 248 C GLU A 16 -4.804 -0.686 8.946 1.00 0.58 C ATOM 249 O GLU A 16 -5.574 -0.162 9.751 1.00 0.67 O ATOM 250 CB GLU A 16 -2.694 -1.880 9.571 1.00 0.82 C ATOM 251 CG GLU A 16 -2.049 -3.077 10.241 1.00 1.16 C ATOM 252 CD GLU A 16 -2.664 -3.402 11.580 1.00 1.67 C ATOM 253 OE1 GLU A 16 -2.536 -2.596 12.530 1.00 1.83 O ATOM 254 OE2 GLU A 16 -3.275 -4.478 11.723 1.00 2.43 O ATOM 0 H GLU A 16 -3.537 -3.440 7.855 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.683 -2.433 10.154 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.167 -1.674 8.639 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.563 -1.007 10.211 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -2.136 -3.944 9.587 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -0.985 -2.883 10.373 1.00 1.16 H new ATOM 261 N SER A 17 -4.534 -0.152 7.771 1.00 0.52 N ATOM 262 CA SER A 17 -5.001 1.178 7.415 1.00 0.62 C ATOM 263 C SER A 17 -6.491 1.238 7.044 1.00 0.70 C ATOM 264 O SER A 17 -7.114 2.308 7.143 1.00 0.94 O ATOM 265 CB SER A 17 -4.111 1.781 6.332 1.00 0.67 C ATOM 266 OG SER A 17 -2.805 2.017 6.851 1.00 1.26 O ATOM 0 H SER A 17 -3.992 -0.618 7.043 1.00 0.52 H new ATOM 0 HA SER A 17 -4.918 1.789 8.314 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.056 1.106 5.478 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.543 2.715 5.973 1.00 0.67 H new ATOM 0 HG SER A 17 -2.838 2.751 7.499 1.00 1.26 H new ATOM 272 N ALA A 18 -7.068 0.117 6.639 1.00 0.61 N ATOM 273 CA ALA A 18 -8.497 0.071 6.356 1.00 0.79 C ATOM 274 C ALA A 18 -9.268 0.062 7.653 1.00 0.97 C ATOM 275 O ALA A 18 -10.392 0.555 7.734 1.00 1.23 O ATOM 276 CB ALA A 18 -8.854 -1.148 5.535 1.00 0.82 C ATOM 0 H ALA A 18 -6.576 -0.766 6.500 1.00 0.61 H new ATOM 0 HA ALA A 18 -8.762 0.956 5.777 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.926 -1.154 5.340 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.314 -1.120 4.589 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.580 -2.049 6.083 1.00 0.82 H new ATOM 282 N GLY A 19 -8.661 -0.516 8.661 1.00 1.02 N ATOM 283 CA GLY A 19 -9.263 -0.565 9.951 1.00 1.29 C ATOM 284 C GLY A 19 -9.702 -1.949 10.270 1.00 1.50 C ATOM 285 O GLY A 19 -8.881 -2.795 10.639 1.00 2.02 O ATOM 0 H GLY A 19 -7.744 -0.959 8.602 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.553 -0.220 10.703 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -10.118 0.111 9.986 1.00 1.29 H new ATOM 289 N GLU A 20 -10.969 -2.204 10.087 1.00 1.87 N ATOM 290 CA GLU A 20 -11.539 -3.503 10.370 1.00 2.49 C ATOM 291 C GLU A 20 -11.904 -4.181 9.057 1.00 2.35 C ATOM 292 O GLU A 20 -12.488 -5.265 9.029 1.00 2.86 O ATOM 293 CB GLU A 20 -12.793 -3.344 11.231 1.00 3.34 C ATOM 294 CG GLU A 20 -12.597 -2.521 12.496 1.00 3.88 C ATOM 295 CD GLU A 20 -11.577 -3.107 13.436 1.00 4.57 C ATOM 296 OE1 GLU A 20 -11.877 -4.097 14.123 1.00 5.20 O ATOM 297 OE2 GLU A 20 -10.434 -2.606 13.470 1.00 4.79 O ATOM 0 H GLU A 20 -11.640 -1.520 9.737 1.00 1.87 H new ATOM 0 HA GLU A 20 -10.813 -4.110 10.910 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -13.574 -2.879 10.629 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -13.153 -4.334 11.510 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -12.290 -1.512 12.221 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -13.551 -2.433 13.015 1.00 3.88 H new ATOM 304 N THR A 21 -11.537 -3.544 7.980 1.00 2.33 N ATOM 305 CA THR A 21 -11.862 -4.004 6.657 1.00 2.61 C ATOM 306 C THR A 21 -10.849 -5.068 6.176 1.00 2.41 C ATOM 307 O THR A 21 -10.058 -4.832 5.268 1.00 3.04 O ATOM 308 CB THR A 21 -11.886 -2.806 5.677 1.00 3.66 C ATOM 309 OG1 THR A 21 -12.583 -1.703 6.301 1.00 4.09 O ATOM 310 CG2 THR A 21 -12.610 -3.173 4.386 1.00 4.35 C ATOM 0 H THR A 21 -10.997 -2.679 7.996 1.00 2.33 H new ATOM 0 HA THR A 21 -12.849 -4.466 6.685 1.00 2.61 H new ATOM 0 HB THR A 21 -10.858 -2.531 5.439 1.00 3.66 H new ATOM 0 HG1 THR A 21 -12.602 -0.939 5.688 1.00 4.09 H new ATOM 0 HG21 THR A 21 -12.613 -2.315 3.714 1.00 4.35 H new ATOM 0 HG22 THR A 21 -12.098 -4.007 3.906 1.00 4.35 H new ATOM 0 HG23 THR A 21 -13.637 -3.460 4.613 1.00 4.35 H new ATOM 318 N ASP A 22 -10.818 -6.195 6.854 1.00 2.19 N ATOM 319 CA ASP A 22 -9.971 -7.297 6.428 1.00 2.51 C ATOM 320 C ASP A 22 -10.844 -8.352 5.781 1.00 2.23 C ATOM 321 O ASP A 22 -10.401 -9.091 4.896 1.00 2.75 O ATOM 322 CB ASP A 22 -9.156 -7.904 7.595 1.00 3.10 C ATOM 323 CG ASP A 22 -9.960 -8.769 8.543 1.00 3.82 C ATOM 324 OD1 ASP A 22 -10.783 -8.211 9.310 1.00 4.16 O ATOM 325 OD2 ASP A 22 -9.783 -10.001 8.530 1.00 4.46 O ATOM 0 H ASP A 22 -11.364 -6.375 7.697 1.00 2.19 H new ATOM 0 HA ASP A 22 -9.242 -6.916 5.713 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -8.343 -8.500 7.181 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -8.700 -7.093 8.163 1.00 3.10 H new ATOM 330 N GLY A 23 -12.102 -8.388 6.206 1.00 2.01 N ATOM 331 CA GLY A 23 -13.061 -9.301 5.664 1.00 2.24 C ATOM 332 C GLY A 23 -13.703 -8.742 4.423 1.00 1.82 C ATOM 333 O GLY A 23 -14.808 -8.193 4.467 1.00 2.14 O ATOM 0 H GLY A 23 -12.471 -7.779 6.936 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -12.574 -10.248 5.430 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -13.828 -9.513 6.410 1.00 2.24 H new ATOM 337 N THR A 24 -12.988 -8.825 3.351 1.00 1.57 N ATOM 338 CA THR A 24 -13.434 -8.411 2.057 1.00 1.43 C ATOM 339 C THR A 24 -12.612 -9.206 1.062 1.00 1.45 C ATOM 340 O THR A 24 -11.823 -10.059 1.487 1.00 1.91 O ATOM 341 CB THR A 24 -13.272 -6.857 1.839 1.00 1.62 C ATOM 342 OG1 THR A 24 -13.798 -6.454 0.560 1.00 2.20 O ATOM 343 CG2 THR A 24 -11.811 -6.416 1.958 1.00 1.81 C ATOM 0 H THR A 24 -12.039 -9.198 3.349 1.00 1.57 H new ATOM 0 HA THR A 24 -14.500 -8.602 1.934 1.00 1.43 H new ATOM 0 HB THR A 24 -13.843 -6.367 2.628 1.00 1.62 H new ATOM 0 HG1 THR A 24 -13.060 -6.331 -0.073 1.00 2.20 H new ATOM 0 HG21 THR A 24 -11.742 -5.340 1.801 1.00 1.81 H new ATOM 0 HG22 THR A 24 -11.436 -6.663 2.951 1.00 1.81 H new ATOM 0 HG23 THR A 24 -11.213 -6.931 1.206 1.00 1.81 H new ATOM 351 N ASP A 25 -12.717 -8.947 -0.205 1.00 1.48 N ATOM 352 CA ASP A 25 -11.930 -9.705 -1.141 1.00 1.62 C ATOM 353 C ASP A 25 -10.644 -9.019 -1.410 1.00 1.23 C ATOM 354 O ASP A 25 -10.514 -8.217 -2.342 1.00 1.29 O ATOM 355 CB ASP A 25 -12.664 -10.078 -2.424 1.00 2.15 C ATOM 356 CG ASP A 25 -13.801 -11.022 -2.175 1.00 2.70 C ATOM 357 OD1 ASP A 25 -13.574 -12.255 -2.106 1.00 3.20 O ATOM 358 OD2 ASP A 25 -14.953 -10.553 -2.035 1.00 3.10 O ATOM 0 H ASP A 25 -13.323 -8.235 -0.613 1.00 1.48 H new ATOM 0 HA ASP A 25 -11.723 -10.662 -0.662 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -13.043 -9.173 -2.899 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -11.962 -10.534 -3.122 1.00 2.15 H new ATOM 363 N LEU A 26 -9.732 -9.252 -0.515 1.00 1.06 N ATOM 364 CA LEU A 26 -8.410 -8.743 -0.601 1.00 0.81 C ATOM 365 C LEU A 26 -7.530 -9.966 -0.873 1.00 0.84 C ATOM 366 O LEU A 26 -7.019 -10.141 -1.972 1.00 1.12 O ATOM 367 CB LEU A 26 -8.057 -8.037 0.741 1.00 0.93 C ATOM 368 CG LEU A 26 -6.869 -7.083 0.741 1.00 0.93 C ATOM 369 CD1 LEU A 26 -7.172 -5.876 -0.127 1.00 1.12 C ATOM 370 CD2 LEU A 26 -6.548 -6.644 2.161 1.00 1.24 C ATOM 0 H LEU A 26 -9.899 -9.819 0.317 1.00 1.06 H new ATOM 0 HA LEU A 26 -8.273 -8.000 -1.387 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -8.935 -7.481 1.070 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -7.869 -8.808 1.488 1.00 0.93 H new ATOM 0 HG LEU A 26 -6.001 -7.600 0.332 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -6.317 -5.200 -0.121 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -7.369 -6.202 -1.148 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -8.048 -5.358 0.264 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -5.697 -5.963 2.148 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -7.413 -6.137 2.589 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -6.304 -7.518 2.765 1.00 1.24 H new ATOM 382 N SER A 27 -7.462 -10.837 0.130 1.00 0.86 N ATOM 383 CA SER A 27 -6.837 -12.159 0.083 1.00 0.94 C ATOM 384 C SER A 27 -5.507 -12.258 -0.721 1.00 1.11 C ATOM 385 O SER A 27 -4.623 -11.388 -0.612 1.00 1.82 O ATOM 386 CB SER A 27 -7.883 -13.163 -0.396 1.00 1.29 C ATOM 387 OG SER A 27 -9.085 -13.054 0.373 1.00 1.78 O ATOM 0 H SER A 27 -7.862 -10.631 1.046 1.00 0.86 H new ATOM 0 HA SER A 27 -6.509 -12.391 1.096 1.00 0.94 H new ATOM 0 HB2 SER A 27 -8.103 -12.990 -1.449 1.00 1.29 H new ATOM 0 HB3 SER A 27 -7.485 -14.175 -0.316 1.00 1.29 H new ATOM 0 HG SER A 27 -9.741 -13.705 0.048 1.00 1.78 H new ATOM 393 N GLY A 28 -5.361 -13.361 -1.466 1.00 1.06 N ATOM 394 CA GLY A 28 -4.136 -13.715 -2.146 1.00 1.30 C ATOM 395 C GLY A 28 -3.677 -12.757 -3.194 1.00 1.12 C ATOM 396 O GLY A 28 -2.470 -12.610 -3.396 1.00 1.42 O ATOM 0 H GLY A 28 -6.112 -14.036 -1.608 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -3.346 -13.817 -1.402 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -4.268 -14.694 -2.607 1.00 1.30 H new ATOM 400 N ASP A 29 -4.594 -12.124 -3.878 1.00 1.15 N ATOM 401 CA ASP A 29 -4.215 -11.171 -4.894 1.00 1.06 C ATOM 402 C ASP A 29 -5.306 -10.148 -5.041 1.00 0.95 C ATOM 403 O ASP A 29 -6.478 -10.495 -5.186 1.00 1.46 O ATOM 404 CB ASP A 29 -3.957 -11.849 -6.246 1.00 1.33 C ATOM 405 CG ASP A 29 -3.224 -10.941 -7.217 1.00 1.79 C ATOM 406 OD1 ASP A 29 -3.847 -9.984 -7.733 1.00 2.15 O ATOM 407 OD2 ASP A 29 -2.047 -11.180 -7.518 1.00 2.27 O ATOM 0 H ASP A 29 -5.599 -12.247 -3.754 1.00 1.15 H new ATOM 0 HA ASP A 29 -3.286 -10.694 -4.582 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -3.373 -12.756 -6.089 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -4.907 -12.154 -6.684 1.00 1.33 H new ATOM 412 N PHE A 30 -4.923 -8.916 -5.024 1.00 0.50 N ATOM 413 CA PHE A 30 -5.846 -7.802 -5.119 1.00 0.39 C ATOM 414 C PHE A 30 -5.148 -6.641 -5.793 1.00 0.32 C ATOM 415 O PHE A 30 -5.678 -5.545 -5.882 1.00 0.31 O ATOM 416 CB PHE A 30 -6.289 -7.391 -3.699 1.00 0.39 C ATOM 417 CG PHE A 30 -5.133 -7.118 -2.743 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.564 -5.856 -2.659 1.00 0.41 C ATOM 419 CD2 PHE A 30 -4.622 -8.119 -1.942 1.00 0.47 C ATOM 420 CE1 PHE A 30 -3.519 -5.609 -1.800 1.00 0.48 C ATOM 421 CE2 PHE A 30 -3.576 -7.873 -1.077 1.00 0.55 C ATOM 422 CZ PHE A 30 -3.030 -6.624 -0.999 1.00 0.53 C ATOM 0 H PHE A 30 -3.946 -8.635 -4.943 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.721 -8.088 -5.702 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.909 -6.497 -3.767 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.913 -8.181 -3.281 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.947 -5.057 -3.276 1.00 0.41 H new ATOM 0 HD2 PHE A 30 -5.048 -9.110 -1.993 1.00 0.47 H new ATOM 0 HE1 PHE A 30 -3.081 -4.623 -1.751 1.00 0.48 H new ATOM 0 HE2 PHE A 30 -3.188 -8.670 -0.460 1.00 0.55 H new ATOM 0 HZ PHE A 30 -2.218 -6.430 -0.313 1.00 0.53 H new ATOM 432 N LEU A 31 -3.948 -6.912 -6.273 1.00 0.33 N ATOM 433 CA LEU A 31 -3.085 -5.917 -6.884 1.00 0.32 C ATOM 434 C LEU A 31 -3.694 -5.210 -8.095 1.00 0.28 C ATOM 435 O LEU A 31 -3.356 -4.054 -8.364 1.00 0.33 O ATOM 436 CB LEU A 31 -1.674 -6.458 -7.190 1.00 0.41 C ATOM 437 CG LEU A 31 -0.750 -6.724 -5.979 1.00 0.61 C ATOM 438 CD1 LEU A 31 -1.234 -7.884 -5.125 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.678 -6.956 -6.435 1.00 0.98 C ATOM 0 H LEU A 31 -3.538 -7.846 -6.249 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.981 -5.147 -6.119 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.781 -7.389 -7.746 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.174 -5.748 -7.849 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.780 -5.832 -5.354 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.551 -8.030 -4.288 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -2.232 -7.665 -4.745 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.267 -8.791 -5.728 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.311 -7.141 -5.567 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.712 -7.819 -7.100 1.00 0.98 H new ATOM 0 HD23 LEU A 31 1.038 -6.075 -6.966 1.00 0.98 H new ATOM 451 N ASP A 32 -4.578 -5.894 -8.814 1.00 0.32 N ATOM 452 CA ASP A 32 -5.174 -5.331 -10.030 1.00 0.43 C ATOM 453 C ASP A 32 -6.555 -4.752 -9.719 1.00 0.36 C ATOM 454 O ASP A 32 -7.176 -4.067 -10.549 1.00 0.42 O ATOM 455 CB ASP A 32 -5.272 -6.404 -11.132 1.00 0.69 C ATOM 456 CG ASP A 32 -5.495 -5.826 -12.521 1.00 1.22 C ATOM 457 OD1 ASP A 32 -4.497 -5.480 -13.197 1.00 1.74 O ATOM 458 OD2 ASP A 32 -6.657 -5.720 -12.972 1.00 1.99 O ATOM 0 H ASP A 32 -4.899 -6.834 -8.581 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.533 -4.528 -10.393 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.356 -6.995 -11.135 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.090 -7.084 -10.894 1.00 0.69 H new ATOM 463 N LEU A 33 -7.026 -5.001 -8.515 1.00 0.32 N ATOM 464 CA LEU A 33 -8.303 -4.480 -8.072 1.00 0.33 C ATOM 465 C LEU A 33 -8.105 -3.055 -7.616 1.00 0.31 C ATOM 466 O LEU A 33 -7.165 -2.765 -6.902 1.00 0.45 O ATOM 467 CB LEU A 33 -8.870 -5.327 -6.930 1.00 0.40 C ATOM 468 CG LEU A 33 -9.150 -6.795 -7.258 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.711 -7.502 -6.045 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.109 -6.914 -8.436 1.00 0.58 C ATOM 0 H LEU A 33 -6.539 -5.566 -7.820 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.016 -4.515 -8.896 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.171 -5.289 -6.094 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.798 -4.868 -6.590 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.210 -7.271 -7.538 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.906 -8.546 -6.290 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.991 -7.450 -5.228 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.640 -7.021 -5.741 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.293 -7.967 -8.651 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.051 -6.424 -8.189 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.670 -6.437 -9.312 1.00 0.58 H new ATOM 482 N ARG A 34 -8.961 -2.168 -8.036 1.00 0.28 N ATOM 483 CA ARG A 34 -8.796 -0.766 -7.709 1.00 0.31 C ATOM 484 C ARG A 34 -9.206 -0.486 -6.289 1.00 0.29 C ATOM 485 O ARG A 34 -10.108 -1.146 -5.754 1.00 0.34 O ATOM 486 CB ARG A 34 -9.562 0.128 -8.679 1.00 0.48 C ATOM 487 CG ARG A 34 -9.068 0.021 -10.095 1.00 0.73 C ATOM 488 CD ARG A 34 -9.774 0.994 -11.018 1.00 1.02 C ATOM 489 NE ARG A 34 -9.372 0.802 -12.421 1.00 1.90 N ATOM 490 CZ ARG A 34 -9.947 1.397 -13.474 1.00 2.41 C ATOM 491 NH1 ARG A 34 -10.735 2.439 -13.299 1.00 2.17 N ATOM 492 NH2 ARG A 34 -9.677 0.982 -14.704 1.00 3.51 N ATOM 0 H ARG A 34 -9.781 -2.382 -8.604 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.736 -0.533 -7.807 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.619 -0.135 -8.649 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -9.482 1.164 -8.350 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -7.995 0.211 -10.120 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.220 -0.996 -10.456 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -10.852 0.864 -10.927 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -9.549 2.015 -10.711 1.00 1.02 H new ATOM 0 HE ARG A 34 -8.596 0.167 -12.605 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -10.909 2.795 -12.359 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -11.171 2.889 -14.104 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -9.030 0.207 -14.850 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -10.117 1.437 -15.504 1.00 3.51 H new ATOM 506 N PHE A 35 -8.531 0.474 -5.673 1.00 0.30 N ATOM 507 CA PHE A 35 -8.802 0.885 -4.294 1.00 0.34 C ATOM 508 C PHE A 35 -10.286 1.172 -4.040 1.00 0.38 C ATOM 509 O PHE A 35 -10.798 0.891 -2.954 1.00 0.41 O ATOM 510 CB PHE A 35 -7.931 2.068 -3.871 1.00 0.38 C ATOM 511 CG PHE A 35 -6.466 1.734 -3.724 1.00 0.37 C ATOM 512 CD1 PHE A 35 -6.006 1.084 -2.589 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.556 2.074 -4.707 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.667 0.781 -2.440 1.00 0.42 C ATOM 515 CE2 PHE A 35 -4.215 1.778 -4.562 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.770 1.131 -3.428 1.00 0.44 C ATOM 0 H PHE A 35 -7.774 0.996 -6.115 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.535 0.033 -3.669 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -8.039 2.866 -4.606 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.301 2.457 -2.922 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.704 0.811 -1.811 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.898 2.577 -5.599 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.323 0.271 -1.552 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.515 2.053 -5.337 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.721 0.899 -3.314 1.00 0.44 H new ATOM 526 N GLU A 36 -10.968 1.713 -5.050 1.00 0.44 N ATOM 527 CA GLU A 36 -12.411 1.994 -4.997 1.00 0.52 C ATOM 528 C GLU A 36 -13.234 0.741 -4.614 1.00 0.52 C ATOM 529 O GLU A 36 -14.269 0.848 -3.954 1.00 0.58 O ATOM 530 CB GLU A 36 -12.919 2.498 -6.358 1.00 0.64 C ATOM 531 CG GLU A 36 -12.776 1.470 -7.474 1.00 1.23 C ATOM 532 CD GLU A 36 -13.572 1.799 -8.696 1.00 1.60 C ATOM 533 OE1 GLU A 36 -14.792 2.019 -8.585 1.00 1.97 O ATOM 534 OE2 GLU A 36 -12.972 1.932 -9.777 1.00 2.06 O ATOM 0 H GLU A 36 -10.535 1.972 -5.937 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.546 2.759 -4.232 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.968 2.779 -6.265 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -12.371 3.399 -6.631 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.724 1.387 -7.747 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.086 0.494 -7.100 1.00 1.23 H new ATOM 541 N ASP A 37 -12.738 -0.440 -4.990 1.00 0.49 N ATOM 542 CA ASP A 37 -13.488 -1.684 -4.800 1.00 0.55 C ATOM 543 C ASP A 37 -13.380 -2.149 -3.375 1.00 0.55 C ATOM 544 O ASP A 37 -14.349 -2.631 -2.781 1.00 0.66 O ATOM 545 CB ASP A 37 -12.958 -2.782 -5.731 1.00 0.62 C ATOM 546 CG ASP A 37 -13.716 -4.093 -5.596 1.00 0.74 C ATOM 547 OD1 ASP A 37 -13.500 -4.834 -4.622 1.00 0.86 O ATOM 548 OD2 ASP A 37 -14.558 -4.399 -6.473 1.00 0.92 O ATOM 0 H ASP A 37 -11.824 -0.561 -5.426 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.533 -1.486 -5.038 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.021 -2.437 -6.763 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -11.903 -2.955 -5.516 1.00 0.62 H new ATOM 553 N ILE A 38 -12.235 -1.940 -2.796 1.00 0.47 N ATOM 554 CA ILE A 38 -11.998 -2.361 -1.434 1.00 0.51 C ATOM 555 C ILE A 38 -12.273 -1.221 -0.461 1.00 0.53 C ATOM 556 O ILE A 38 -11.884 -1.270 0.707 1.00 0.59 O ATOM 557 CB ILE A 38 -10.570 -2.929 -1.232 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.515 -1.904 -1.703 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.420 -4.262 -1.968 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.084 -2.357 -1.544 1.00 0.47 C ATOM 0 H ILE A 38 -11.442 -1.479 -3.243 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.694 -3.173 -1.224 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.408 -3.113 -0.170 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.695 -1.674 -2.753 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.653 -0.978 -1.145 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.412 -4.649 -1.817 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.145 -4.976 -1.578 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.595 -4.111 -3.033 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.413 -1.575 -1.900 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.881 -2.558 -0.492 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.923 -3.265 -2.125 1.00 0.47 H new ATOM 572 N GLY A 39 -13.012 -0.228 -0.955 1.00 0.54 N ATOM 573 CA GLY A 39 -13.412 0.918 -0.173 1.00 0.61 C ATOM 574 C GLY A 39 -12.244 1.664 0.422 1.00 0.55 C ATOM 575 O GLY A 39 -12.305 2.113 1.572 1.00 0.69 O ATOM 0 H GLY A 39 -13.347 -0.206 -1.918 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.987 1.597 -0.802 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -14.073 0.590 0.629 1.00 0.61 H new ATOM 579 N TYR A 40 -11.180 1.788 -0.327 1.00 0.45 N ATOM 580 CA TYR A 40 -10.037 2.473 0.163 1.00 0.48 C ATOM 581 C TYR A 40 -10.147 3.947 -0.082 1.00 0.56 C ATOM 582 O TYR A 40 -9.982 4.421 -1.199 1.00 0.64 O ATOM 583 CB TYR A 40 -8.748 1.890 -0.376 1.00 0.43 C ATOM 584 CG TYR A 40 -7.867 1.432 0.738 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.090 0.217 1.361 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.847 2.228 1.201 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.319 -0.182 2.424 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.064 1.831 2.252 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.306 0.633 2.864 1.00 1.11 C ATOM 590 OH TYR A 40 -5.550 0.261 3.932 1.00 1.40 O ATOM 0 H TYR A 40 -11.091 1.421 -1.275 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.003 2.328 1.243 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.971 1.053 -1.037 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.227 2.638 -0.974 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -8.882 -0.426 1.006 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.660 3.181 0.729 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -7.508 -1.128 2.910 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.258 2.462 2.596 1.00 0.99 H new ATOM 0 HH TYR A 40 -5.909 -0.566 4.315 1.00 1.40 H new ATOM 600 N ASP A 41 -10.475 4.619 1.003 1.00 0.74 N ATOM 601 CA ASP A 41 -10.679 6.072 1.138 1.00 0.95 C ATOM 602 C ASP A 41 -9.674 6.923 0.315 1.00 1.01 C ATOM 603 O ASP A 41 -9.923 7.213 -0.857 1.00 1.89 O ATOM 604 CB ASP A 41 -10.617 6.380 2.651 1.00 1.15 C ATOM 605 CG ASP A 41 -10.672 7.831 3.048 1.00 1.57 C ATOM 606 OD1 ASP A 41 -11.792 8.363 3.127 1.00 2.07 O ATOM 607 OD2 ASP A 41 -9.615 8.471 3.163 1.00 2.16 O ATOM 0 H ASP A 41 -10.620 4.138 1.890 1.00 0.74 H new ATOM 0 HA ASP A 41 -11.646 6.352 0.719 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -11.444 5.862 3.138 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -9.696 5.953 3.048 1.00 1.15 H new ATOM 612 N SER A 42 -8.556 7.263 0.923 1.00 0.71 N ATOM 613 CA SER A 42 -7.466 8.030 0.315 1.00 0.66 C ATOM 614 C SER A 42 -6.484 8.360 1.399 1.00 0.49 C ATOM 615 O SER A 42 -5.292 8.125 1.263 1.00 0.45 O ATOM 616 CB SER A 42 -7.951 9.329 -0.332 1.00 0.86 C ATOM 617 OG SER A 42 -8.688 10.141 0.638 1.00 1.19 O ATOM 0 H SER A 42 -8.366 7.007 1.892 1.00 0.71 H new ATOM 0 HA SER A 42 -7.017 7.428 -0.475 1.00 0.66 H new ATOM 0 HB2 SER A 42 -7.099 9.892 -0.714 1.00 0.86 H new ATOM 0 HB3 SER A 42 -8.591 9.101 -1.185 1.00 0.86 H new ATOM 622 N LEU A 43 -7.007 8.827 2.511 1.00 0.49 N ATOM 623 CA LEU A 43 -6.209 9.126 3.673 1.00 0.49 C ATOM 624 C LEU A 43 -5.665 7.815 4.193 1.00 0.42 C ATOM 625 O LEU A 43 -4.486 7.689 4.481 1.00 0.41 O ATOM 626 CB LEU A 43 -7.070 9.835 4.726 1.00 0.65 C ATOM 627 CG LEU A 43 -7.713 11.155 4.272 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.705 11.653 5.302 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.649 12.213 4.027 1.00 1.03 C ATOM 0 H LEU A 43 -8.003 9.010 2.632 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.384 9.795 3.428 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -7.861 9.155 5.042 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.452 10.034 5.602 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.244 10.965 3.339 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -9.147 12.588 4.959 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.490 10.910 5.440 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.193 11.820 6.250 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.125 13.140 3.706 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -6.093 12.390 4.948 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.965 11.869 3.251 1.00 1.03 H new ATOM 641 N ALA A 44 -6.539 6.812 4.209 1.00 0.40 N ATOM 642 CA ALA A 44 -6.171 5.450 4.570 1.00 0.38 C ATOM 643 C ALA A 44 -5.140 4.894 3.580 1.00 0.32 C ATOM 644 O ALA A 44 -4.223 4.181 3.957 1.00 0.33 O ATOM 645 CB ALA A 44 -7.414 4.563 4.586 1.00 0.43 C ATOM 0 H ALA A 44 -7.525 6.923 3.971 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.726 5.459 5.565 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.132 3.546 4.857 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.126 4.948 5.316 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.872 4.561 3.597 1.00 0.43 H new ATOM 651 N LEU A 45 -5.300 5.268 2.320 1.00 0.30 N ATOM 652 CA LEU A 45 -4.439 4.803 1.230 1.00 0.28 C ATOM 653 C LEU A 45 -3.029 5.385 1.417 1.00 0.28 C ATOM 654 O LEU A 45 -2.026 4.672 1.358 1.00 0.29 O ATOM 655 CB LEU A 45 -5.065 5.251 -0.118 1.00 0.30 C ATOM 656 CG LEU A 45 -4.649 4.529 -1.422 1.00 0.30 C ATOM 657 CD1 LEU A 45 -5.437 5.090 -2.587 1.00 0.35 C ATOM 658 CD2 LEU A 45 -3.160 4.645 -1.711 1.00 0.37 C ATOM 0 H LEU A 45 -6.035 5.907 2.017 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.358 3.716 1.233 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -6.147 5.159 -0.023 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.845 6.311 -0.246 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.869 3.470 -1.287 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -5.143 4.580 -3.504 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -6.502 4.938 -2.413 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -5.234 6.157 -2.683 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.927 4.120 -2.637 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.890 5.696 -1.812 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.595 4.202 -0.891 1.00 0.37 H new ATOM 670 N MET A 46 -2.970 6.675 1.677 1.00 0.30 N ATOM 671 CA MET A 46 -1.703 7.367 1.876 1.00 0.34 C ATOM 672 C MET A 46 -1.062 6.910 3.176 1.00 0.34 C ATOM 673 O MET A 46 0.161 6.875 3.304 1.00 0.40 O ATOM 674 CB MET A 46 -1.906 8.889 1.851 1.00 0.39 C ATOM 675 CG MET A 46 -2.528 9.378 0.552 1.00 0.45 C ATOM 676 SD MET A 46 -2.787 11.166 0.467 1.00 0.68 S ATOM 677 CE MET A 46 -3.842 11.446 1.882 1.00 1.44 C ATOM 0 H MET A 46 -3.791 7.275 1.757 1.00 0.30 H new ATOM 0 HA MET A 46 -1.028 7.116 1.058 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.543 9.180 2.686 1.00 0.39 H new ATOM 0 HB3 MET A 46 -0.945 9.382 1.997 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.888 9.077 -0.278 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.487 8.878 0.413 1.00 0.45 H new ATOM 0 HE1 MET A 46 -4.024 12.515 1.994 1.00 1.44 H new ATOM 0 HE2 MET A 46 -4.791 10.930 1.736 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.356 11.064 2.780 1.00 1.44 H new ATOM 687 N GLU A 47 -1.901 6.519 4.114 1.00 0.32 N ATOM 688 CA GLU A 47 -1.462 5.995 5.382 1.00 0.37 C ATOM 689 C GLU A 47 -0.782 4.643 5.182 1.00 0.32 C ATOM 690 O GLU A 47 0.171 4.327 5.871 1.00 0.33 O ATOM 691 CB GLU A 47 -2.637 5.829 6.304 1.00 0.45 C ATOM 692 CG GLU A 47 -2.240 5.465 7.720 1.00 0.85 C ATOM 693 CD GLU A 47 -3.400 5.021 8.539 1.00 1.22 C ATOM 694 OE1 GLU A 47 -4.145 5.882 9.033 1.00 1.82 O ATOM 695 OE2 GLU A 47 -3.594 3.808 8.718 1.00 1.89 O ATOM 0 H GLU A 47 -2.915 6.558 4.012 1.00 0.32 H new ATOM 0 HA GLU A 47 -0.752 6.695 5.822 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.210 6.756 6.322 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.294 5.055 5.908 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.494 4.671 7.692 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -1.772 6.327 8.196 1.00 0.85 H new ATOM 702 N THR A 48 -1.276 3.866 4.221 1.00 0.31 N ATOM 703 CA THR A 48 -0.683 2.586 3.868 1.00 0.30 C ATOM 704 C THR A 48 0.769 2.826 3.456 1.00 0.29 C ATOM 705 O THR A 48 1.703 2.191 3.980 1.00 0.32 O ATOM 706 CB THR A 48 -1.450 1.983 2.669 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.815 1.741 3.028 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.802 0.699 2.177 1.00 0.33 C ATOM 0 H THR A 48 -2.098 4.109 3.668 1.00 0.31 H new ATOM 0 HA THR A 48 -0.732 1.902 4.716 1.00 0.30 H new ATOM 0 HB THR A 48 -1.414 2.706 1.854 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.246 2.588 3.266 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.369 0.305 1.334 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.221 0.905 1.862 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.792 -0.035 2.982 1.00 0.33 H new ATOM 716 N ALA A 49 0.938 3.762 2.536 1.00 0.29 N ATOM 717 CA ALA A 49 2.235 4.153 2.052 1.00 0.30 C ATOM 718 C ALA A 49 3.120 4.624 3.206 1.00 0.27 C ATOM 719 O ALA A 49 4.212 4.107 3.397 1.00 0.27 O ATOM 720 CB ALA A 49 2.084 5.245 1.009 1.00 0.36 C ATOM 0 H ALA A 49 0.166 4.271 2.106 1.00 0.29 H new ATOM 0 HA ALA A 49 2.717 3.291 1.591 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.068 5.539 0.645 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.485 4.874 0.177 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.590 6.108 1.455 1.00 0.36 H new ATOM 726 N ALA A 50 2.597 5.552 4.005 1.00 0.29 N ATOM 727 CA ALA A 50 3.324 6.135 5.141 1.00 0.31 C ATOM 728 C ALA A 50 3.715 5.086 6.187 1.00 0.30 C ATOM 729 O ALA A 50 4.796 5.162 6.802 1.00 0.32 O ATOM 730 CB ALA A 50 2.501 7.241 5.774 1.00 0.39 C ATOM 0 H ALA A 50 1.655 5.925 3.886 1.00 0.29 H new ATOM 0 HA ALA A 50 4.253 6.553 4.753 1.00 0.31 H new ATOM 0 HB1 ALA A 50 3.049 7.666 6.615 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.308 8.019 5.036 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.554 6.833 6.127 1.00 0.39 H new ATOM 736 N ARG A 51 2.856 4.111 6.371 1.00 0.32 N ATOM 737 CA ARG A 51 3.085 3.023 7.302 1.00 0.37 C ATOM 738 C ARG A 51 4.307 2.214 6.844 1.00 0.32 C ATOM 739 O ARG A 51 5.228 1.940 7.633 1.00 0.36 O ATOM 740 CB ARG A 51 1.820 2.146 7.373 1.00 0.51 C ATOM 741 CG ARG A 51 1.842 1.044 8.412 1.00 1.04 C ATOM 742 CD ARG A 51 0.509 0.290 8.451 1.00 1.15 C ATOM 743 NE ARG A 51 -0.643 1.172 8.782 1.00 1.91 N ATOM 744 CZ ARG A 51 -1.201 1.281 10.009 1.00 2.60 C ATOM 745 NH1 ARG A 51 -0.703 0.599 11.028 1.00 2.86 N ATOM 746 NH2 ARG A 51 -2.252 2.070 10.210 1.00 3.47 N ATOM 0 H ARG A 51 1.967 4.047 5.874 1.00 0.32 H new ATOM 0 HA ARG A 51 3.289 3.409 8.301 1.00 0.37 H new ATOM 0 HB2 ARG A 51 0.964 2.791 7.572 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.658 1.694 6.394 1.00 0.51 H new ATOM 0 HG2 ARG A 51 2.650 0.347 8.189 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.050 1.470 9.393 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.334 -0.180 7.483 1.00 1.15 H new ATOM 0 HD3 ARG A 51 0.571 -0.511 9.188 1.00 1.15 H new ATOM 0 HE ARG A 51 -1.040 1.735 8.030 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.103 -0.010 10.889 1.00 2.86 H new ATOM 0 HH12 ARG A 51 -1.125 0.683 11.953 1.00 2.86 H new ATOM 0 HH21 ARG A 51 -2.646 2.602 9.434 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -2.664 2.144 11.140 1.00 3.47 H new ATOM 760 N LEU A 52 4.329 1.871 5.563 1.00 0.27 N ATOM 761 CA LEU A 52 5.451 1.150 4.985 1.00 0.25 C ATOM 762 C LEU A 52 6.712 2.031 4.955 1.00 0.21 C ATOM 763 O LEU A 52 7.823 1.531 5.182 1.00 0.23 O ATOM 764 CB LEU A 52 5.102 0.589 3.592 1.00 0.29 C ATOM 765 CG LEU A 52 3.894 -0.362 3.545 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.609 -0.798 2.120 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.135 -1.579 4.429 1.00 0.44 C ATOM 0 H LEU A 52 3.579 2.082 4.904 1.00 0.27 H new ATOM 0 HA LEU A 52 5.668 0.294 5.623 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.910 1.426 2.920 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.973 0.061 3.203 1.00 0.29 H new ATOM 0 HG LEU A 52 3.025 0.176 3.923 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.751 -1.470 2.110 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.391 0.078 1.508 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.480 -1.315 1.717 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.269 -2.240 4.382 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.018 -2.113 4.080 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.290 -1.256 5.458 1.00 0.44 H new ATOM 779 N GLU A 53 6.531 3.349 4.712 1.00 0.19 N ATOM 780 CA GLU A 53 7.645 4.313 4.722 1.00 0.19 C ATOM 781 C GLU A 53 8.368 4.257 6.030 1.00 0.23 C ATOM 782 O GLU A 53 9.577 4.117 6.066 1.00 0.26 O ATOM 783 CB GLU A 53 7.191 5.759 4.575 1.00 0.22 C ATOM 784 CG GLU A 53 6.524 6.169 3.297 1.00 0.25 C ATOM 785 CD GLU A 53 6.260 7.654 3.310 1.00 0.33 C ATOM 786 OE1 GLU A 53 5.269 8.081 3.910 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.993 8.413 2.674 1.00 0.38 O ATOM 0 H GLU A 53 5.623 3.765 4.507 1.00 0.19 H new ATOM 0 HA GLU A 53 8.271 4.030 3.876 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.504 5.976 5.393 1.00 0.22 H new ATOM 0 HB3 GLU A 53 8.064 6.397 4.714 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.156 5.910 2.447 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.587 5.625 3.175 1.00 0.25 H new ATOM 794 N SER A 54 7.605 4.364 7.090 1.00 0.31 N ATOM 795 CA SER A 54 8.123 4.399 8.429 1.00 0.40 C ATOM 796 C SER A 54 8.873 3.110 8.781 1.00 0.36 C ATOM 797 O SER A 54 10.011 3.150 9.256 1.00 0.39 O ATOM 798 CB SER A 54 6.965 4.625 9.395 1.00 0.53 C ATOM 799 OG SER A 54 6.243 5.804 9.046 1.00 1.17 O ATOM 0 H SER A 54 6.588 4.430 7.042 1.00 0.31 H new ATOM 0 HA SER A 54 8.841 5.216 8.508 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.297 3.764 9.378 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.345 4.713 10.413 1.00 0.53 H new ATOM 0 HG SER A 54 5.646 5.611 8.293 1.00 1.17 H new ATOM 805 N ARG A 55 8.244 1.980 8.526 1.00 0.35 N ATOM 806 CA ARG A 55 8.817 0.694 8.871 1.00 0.37 C ATOM 807 C ARG A 55 10.061 0.341 8.050 1.00 0.31 C ATOM 808 O ARG A 55 11.066 -0.099 8.602 1.00 0.36 O ATOM 809 CB ARG A 55 7.768 -0.409 8.778 1.00 0.48 C ATOM 810 CG ARG A 55 8.259 -1.773 9.240 1.00 0.61 C ATOM 811 CD ARG A 55 7.112 -2.749 9.353 1.00 0.85 C ATOM 812 NE ARG A 55 6.096 -2.265 10.304 1.00 1.35 N ATOM 813 CZ ARG A 55 4.956 -2.893 10.609 1.00 2.03 C ATOM 814 NH1 ARG A 55 4.699 -4.098 10.127 1.00 2.37 N ATOM 815 NH2 ARG A 55 4.079 -2.314 11.412 1.00 2.81 N ATOM 0 H ARG A 55 7.329 1.927 8.078 1.00 0.35 H new ATOM 0 HA ARG A 55 9.153 0.776 9.905 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.903 -0.124 9.377 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.429 -0.487 7.745 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.999 -2.155 8.537 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.757 -1.677 10.205 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.657 -2.896 8.373 1.00 0.85 H new ATOM 0 HD3 ARG A 55 7.487 -3.719 9.679 1.00 0.85 H new ATOM 0 HE ARG A 55 6.278 -1.376 10.769 1.00 1.35 H new ATOM 0 HH11 ARG A 55 5.374 -4.557 9.516 1.00 2.37 H new ATOM 0 HH12 ARG A 55 3.826 -4.568 10.367 1.00 2.37 H new ATOM 0 HH21 ARG A 55 4.273 -1.390 11.797 1.00 2.81 H new ATOM 0 HH22 ARG A 55 3.209 -2.792 11.646 1.00 2.81 H new ATOM 829 N TYR A 56 10.006 0.556 6.753 1.00 0.28 N ATOM 830 CA TYR A 56 11.093 0.120 5.883 1.00 0.31 C ATOM 831 C TYR A 56 12.118 1.216 5.613 1.00 0.33 C ATOM 832 O TYR A 56 13.280 0.927 5.328 1.00 0.43 O ATOM 833 CB TYR A 56 10.537 -0.444 4.574 1.00 0.34 C ATOM 834 CG TYR A 56 9.712 -1.696 4.766 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.311 -2.939 4.909 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.332 -1.631 4.798 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.553 -4.080 5.077 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.568 -2.765 4.966 1.00 0.57 C ATOM 839 CZ TYR A 56 8.214 -4.004 5.136 1.00 0.66 C ATOM 840 OH TYR A 56 7.412 -5.122 5.282 1.00 0.80 O ATOM 0 H TYR A 56 9.234 1.023 6.276 1.00 0.28 H new ATOM 0 HA TYR A 56 11.624 -0.670 6.414 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.924 0.316 4.090 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.365 -0.662 3.900 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.388 -3.015 4.889 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.844 -0.674 4.689 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.040 -5.040 5.162 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.490 -2.704 4.967 1.00 0.57 H new ATOM 0 HH TYR A 56 6.471 -4.849 5.304 1.00 0.80 H new ATOM 850 N GLY A 57 11.716 2.448 5.747 1.00 0.31 N ATOM 851 CA GLY A 57 12.618 3.547 5.497 1.00 0.38 C ATOM 852 C GLY A 57 12.565 3.986 4.058 1.00 0.38 C ATOM 853 O GLY A 57 13.580 3.996 3.361 1.00 0.53 O ATOM 0 H GLY A 57 10.774 2.721 6.027 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.360 4.385 6.144 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.635 3.249 5.751 1.00 0.38 H new ATOM 857 N VAL A 58 11.392 4.370 3.616 1.00 0.37 N ATOM 858 CA VAL A 58 11.186 4.791 2.242 1.00 0.37 C ATOM 859 C VAL A 58 10.444 6.110 2.221 1.00 0.34 C ATOM 860 O VAL A 58 10.089 6.631 3.277 1.00 0.33 O ATOM 861 CB VAL A 58 10.432 3.738 1.349 1.00 0.38 C ATOM 862 CG1 VAL A 58 11.129 2.404 1.369 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.977 3.568 1.752 1.00 0.33 C ATOM 0 H VAL A 58 10.552 4.401 4.193 1.00 0.37 H new ATOM 0 HA VAL A 58 12.179 4.896 1.804 1.00 0.37 H new ATOM 0 HB VAL A 58 10.450 4.133 0.333 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.583 1.699 0.742 1.00 0.45 H new ATOM 0 HG12 VAL A 58 12.144 2.518 0.988 1.00 0.45 H new ATOM 0 HG13 VAL A 58 11.166 2.028 2.391 1.00 0.45 H new ATOM 0 HG21 VAL A 58 8.504 2.830 1.104 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.923 3.230 2.787 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.459 4.522 1.655 1.00 0.33 H new ATOM 873 N SER A 59 10.235 6.648 1.056 1.00 0.37 N ATOM 874 CA SER A 59 9.496 7.858 0.900 1.00 0.41 C ATOM 875 C SER A 59 8.480 7.694 -0.222 1.00 0.38 C ATOM 876 O SER A 59 8.836 7.386 -1.361 1.00 0.47 O ATOM 877 CB SER A 59 10.463 9.026 0.638 1.00 0.56 C ATOM 878 OG SER A 59 11.449 8.664 -0.323 1.00 1.54 O ATOM 0 H SER A 59 10.578 6.252 0.181 1.00 0.37 H new ATOM 0 HA SER A 59 8.947 8.084 1.814 1.00 0.41 H new ATOM 0 HB2 SER A 59 9.905 9.893 0.284 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.948 9.318 1.570 1.00 0.56 H new ATOM 0 HG SER A 59 11.036 8.123 -1.028 1.00 1.54 H new ATOM 884 N ILE A 60 7.228 7.816 0.118 1.00 0.31 N ATOM 885 CA ILE A 60 6.151 7.713 -0.841 1.00 0.31 C ATOM 886 C ILE A 60 5.315 8.978 -0.739 1.00 0.34 C ATOM 887 O ILE A 60 4.595 9.176 0.252 1.00 0.40 O ATOM 888 CB ILE A 60 5.214 6.487 -0.584 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.999 5.160 -0.495 1.00 0.47 C ATOM 890 CG2 ILE A 60 4.146 6.397 -1.680 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.767 4.790 -1.751 1.00 0.59 C ATOM 0 H ILE A 60 6.918 7.991 1.074 1.00 0.31 H new ATOM 0 HA ILE A 60 6.596 7.581 -1.827 1.00 0.31 H new ATOM 0 HB ILE A 60 4.732 6.645 0.381 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.700 5.224 0.337 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.301 4.356 -0.263 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.500 5.540 -1.489 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.548 7.308 -1.681 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.629 6.279 -2.650 1.00 0.35 H new ATOM 0 HD11 ILE A 60 7.286 3.845 -1.595 1.00 0.59 H new ATOM 0 HD12 ILE A 60 6.073 4.689 -2.585 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.494 5.570 -1.976 1.00 0.59 H new ATOM 903 N PRO A 61 5.440 9.880 -1.703 1.00 0.37 N ATOM 904 CA PRO A 61 4.678 11.127 -1.715 1.00 0.45 C ATOM 905 C PRO A 61 3.173 10.869 -1.857 1.00 0.41 C ATOM 906 O PRO A 61 2.736 10.072 -2.717 1.00 0.35 O ATOM 907 CB PRO A 61 5.212 11.866 -2.952 1.00 0.54 C ATOM 908 CG PRO A 61 6.509 11.206 -3.262 1.00 0.56 C ATOM 909 CD PRO A 61 6.346 9.780 -2.857 1.00 0.43 C ATOM 0 HA PRO A 61 4.795 11.690 -0.789 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.519 11.787 -3.789 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.348 12.928 -2.750 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.745 11.287 -4.323 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.327 11.676 -2.717 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.918 9.177 -3.658 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.298 9.323 -2.587 1.00 0.43 H new ATOM 917 N ASP A 62 2.384 11.537 -1.016 1.00 0.51 N ATOM 918 CA ASP A 62 0.906 11.429 -1.012 1.00 0.55 C ATOM 919 C ASP A 62 0.297 11.797 -2.363 1.00 0.45 C ATOM 920 O ASP A 62 -0.809 11.387 -2.681 1.00 0.46 O ATOM 921 CB ASP A 62 0.263 12.288 0.095 1.00 0.77 C ATOM 922 CG ASP A 62 0.379 13.785 -0.118 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.474 14.383 -0.807 1.00 1.99 O ATOM 924 OD2 ASP A 62 1.322 14.400 0.434 1.00 1.64 O ATOM 0 H ASP A 62 2.745 12.176 -0.308 1.00 0.51 H new ATOM 0 HA ASP A 62 0.688 10.381 -0.808 1.00 0.55 H new ATOM 0 HB2 ASP A 62 -0.792 12.026 0.172 1.00 0.77 H new ATOM 0 HB3 ASP A 62 0.725 12.033 1.049 1.00 0.77 H new ATOM 929 N ASP A 63 1.056 12.520 -3.166 1.00 0.44 N ATOM 930 CA ASP A 63 0.610 12.952 -4.487 1.00 0.45 C ATOM 931 C ASP A 63 0.527 11.752 -5.394 1.00 0.40 C ATOM 932 O ASP A 63 -0.367 11.632 -6.216 1.00 0.48 O ATOM 933 CB ASP A 63 1.612 13.949 -5.087 1.00 0.58 C ATOM 934 CG ASP A 63 1.757 15.210 -4.280 1.00 1.37 C ATOM 935 OD1 ASP A 63 2.605 15.258 -3.363 1.00 2.18 O ATOM 936 OD2 ASP A 63 1.034 16.181 -4.547 1.00 1.66 O ATOM 0 H ASP A 63 1.999 12.826 -2.925 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.365 13.430 -4.392 1.00 0.45 H new ATOM 0 HB2 ASP A 63 2.586 13.467 -5.172 1.00 0.58 H new ATOM 0 HB3 ASP A 63 1.295 14.208 -6.097 1.00 0.58 H new ATOM 941 N VAL A 64 1.458 10.850 -5.210 1.00 0.34 N ATOM 942 CA VAL A 64 1.500 9.620 -5.963 1.00 0.37 C ATOM 943 C VAL A 64 0.469 8.680 -5.387 1.00 0.36 C ATOM 944 O VAL A 64 -0.308 8.085 -6.107 1.00 0.43 O ATOM 945 CB VAL A 64 2.889 8.965 -5.863 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.983 7.783 -6.809 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.998 9.968 -6.149 1.00 0.50 C ATOM 0 H VAL A 64 2.212 10.948 -4.530 1.00 0.34 H new ATOM 0 HA VAL A 64 1.294 9.832 -7.012 1.00 0.37 H new ATOM 0 HB VAL A 64 3.020 8.609 -4.841 1.00 0.45 H new ATOM 0 HG11 VAL A 64 3.971 7.329 -6.728 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.223 7.047 -6.548 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.823 8.122 -7.832 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.966 9.473 -6.070 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.876 10.368 -7.156 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.947 10.782 -5.426 1.00 0.50 H new ATOM 957 N ALA A 65 0.465 8.579 -4.072 1.00 0.35 N ATOM 958 CA ALA A 65 -0.461 7.719 -3.342 1.00 0.39 C ATOM 959 C ALA A 65 -1.940 8.061 -3.642 1.00 0.41 C ATOM 960 O ALA A 65 -2.795 7.203 -3.597 1.00 0.45 O ATOM 961 CB ALA A 65 -0.167 7.781 -1.857 1.00 0.44 C ATOM 0 H ALA A 65 1.108 9.094 -3.470 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.308 6.696 -3.686 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.863 7.136 -1.321 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.854 7.445 -1.674 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.279 8.807 -1.506 1.00 0.44 H new ATOM 967 N GLY A 66 -2.218 9.309 -3.965 1.00 0.47 N ATOM 968 CA GLY A 66 -3.578 9.697 -4.317 1.00 0.55 C ATOM 969 C GLY A 66 -3.891 9.439 -5.790 1.00 0.58 C ATOM 970 O GLY A 66 -5.044 9.549 -6.228 1.00 0.81 O ATOM 0 H GLY A 66 -1.534 10.065 -3.992 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.283 9.145 -3.696 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.720 10.755 -4.097 1.00 0.55 H new ATOM 974 N ARG A 67 -2.874 9.097 -6.543 1.00 0.54 N ATOM 975 CA ARG A 67 -2.990 8.836 -7.971 1.00 0.61 C ATOM 976 C ARG A 67 -2.911 7.355 -8.302 1.00 0.52 C ATOM 977 O ARG A 67 -3.250 6.948 -9.405 1.00 0.59 O ATOM 978 CB ARG A 67 -1.903 9.562 -8.721 1.00 0.75 C ATOM 979 CG ARG A 67 -2.152 11.035 -8.974 1.00 1.32 C ATOM 980 CD ARG A 67 -0.903 11.669 -9.538 1.00 1.55 C ATOM 981 NE ARG A 67 -0.268 10.799 -10.540 1.00 1.97 N ATOM 982 CZ ARG A 67 1.047 10.669 -10.693 1.00 2.53 C ATOM 983 NH1 ARG A 67 1.876 11.548 -10.143 1.00 2.73 N ATOM 984 NH2 ARG A 67 1.542 9.669 -11.410 1.00 3.33 N ATOM 0 H ARG A 67 -1.926 8.989 -6.183 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.972 9.197 -8.276 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -0.972 9.460 -8.164 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -1.756 9.067 -9.681 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -2.982 11.160 -9.670 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.437 11.531 -8.046 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -1.152 12.628 -9.992 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -0.199 11.872 -8.731 1.00 1.55 H new ATOM 0 HE ARG A 67 -0.875 10.260 -11.158 1.00 1.97 H new ATOM 0 HH11 ARG A 67 1.505 12.328 -9.600 1.00 2.73 H new ATOM 0 HH12 ARG A 67 2.883 11.443 -10.263 1.00 2.73 H new ATOM 0 HH21 ARG A 67 0.914 8.995 -11.847 1.00 3.33 H new ATOM 0 HH22 ARG A 67 2.551 9.574 -11.524 1.00 3.33 H new ATOM 998 N VAL A 68 -2.456 6.561 -7.373 1.00 0.43 N ATOM 999 CA VAL A 68 -2.329 5.141 -7.619 1.00 0.39 C ATOM 1000 C VAL A 68 -3.689 4.456 -7.556 1.00 0.35 C ATOM 1001 O VAL A 68 -4.409 4.525 -6.558 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.274 4.453 -6.704 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.123 4.867 -7.136 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.471 4.826 -5.252 1.00 0.36 C ATOM 0 H VAL A 68 -2.167 6.864 -6.443 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.945 5.027 -8.633 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.399 3.375 -6.803 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.860 4.384 -6.494 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.289 4.565 -8.170 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.223 5.949 -7.054 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.717 4.328 -4.643 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.374 5.906 -5.137 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.464 4.514 -4.928 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.043 3.853 -8.659 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.337 3.228 -8.859 1.00 0.41 C ATOM 1016 C ASP A 69 -5.384 1.812 -8.325 1.00 0.28 C ATOM 1017 O ASP A 69 -6.433 1.344 -7.872 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.656 3.199 -10.359 1.00 0.62 C ATOM 1019 CG ASP A 69 -4.580 2.504 -11.187 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -3.589 3.178 -11.578 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -4.694 1.289 -11.446 1.00 1.76 O ATOM 0 H ASP A 69 -3.428 3.777 -9.469 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.072 3.817 -8.310 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -6.608 2.691 -10.512 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -5.779 4.221 -10.718 1.00 0.62 H new ATOM 1026 N THR A 70 -4.272 1.145 -8.339 1.00 0.30 N ATOM 1027 CA THR A 70 -4.225 -0.222 -7.934 1.00 0.27 C ATOM 1028 C THR A 70 -3.072 -0.469 -6.969 1.00 0.24 C ATOM 1029 O THR A 70 -2.035 0.198 -7.050 1.00 0.25 O ATOM 1030 CB THR A 70 -4.137 -1.151 -9.170 1.00 0.34 C ATOM 1031 OG1 THR A 70 -3.239 -0.588 -10.148 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.502 -1.352 -9.796 1.00 0.36 C ATOM 0 H THR A 70 -3.375 1.533 -8.631 1.00 0.30 H new ATOM 0 HA THR A 70 -5.148 -0.454 -7.403 1.00 0.27 H new ATOM 0 HB THR A 70 -3.759 -2.118 -8.839 1.00 0.34 H new ATOM 0 HG1 THR A 70 -3.706 0.105 -10.660 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.412 -2.008 -10.662 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.174 -1.804 -9.066 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.903 -0.389 -10.111 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.259 -1.398 -6.008 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.250 -1.757 -5.008 1.00 0.22 C ATOM 1042 C PRO A 71 -0.913 -2.130 -5.632 1.00 0.22 C ATOM 1043 O PRO A 71 0.137 -1.888 -5.038 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.868 -2.962 -4.307 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.325 -2.748 -4.447 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.506 -2.147 -5.795 1.00 0.23 C ATOM 0 HA PRO A 71 -2.023 -0.925 -4.342 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.555 -3.897 -4.771 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.570 -3.011 -3.260 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.871 -3.687 -4.359 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.702 -2.086 -3.667 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.651 -2.911 -6.559 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.378 -1.493 -5.829 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.963 -2.724 -6.828 1.00 0.24 N ATOM 1055 CA ARG A 72 0.238 -3.082 -7.590 1.00 0.28 C ATOM 1056 C ARG A 72 1.163 -1.877 -7.740 1.00 0.27 C ATOM 1057 O ARG A 72 2.371 -1.988 -7.542 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.140 -3.616 -8.965 1.00 0.40 C ATOM 1059 CG ARG A 72 1.045 -4.046 -9.814 1.00 0.70 C ATOM 1060 CD ARG A 72 0.590 -4.518 -11.175 1.00 0.74 C ATOM 1061 NE ARG A 72 -0.296 -5.684 -11.081 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.483 -5.800 -11.685 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -2.047 -4.750 -12.278 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -2.144 -6.944 -11.628 1.00 2.72 N ATOM 0 H ARG A 72 -1.836 -2.970 -7.295 1.00 0.24 H new ATOM 0 HA ARG A 72 0.765 -3.862 -7.040 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.811 -4.466 -8.840 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.696 -2.847 -9.501 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.738 -3.212 -9.927 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.588 -4.846 -9.310 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.070 -3.707 -11.686 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.460 -4.771 -11.781 1.00 0.74 H new ATOM 0 HE ARG A 72 0.019 -6.468 -10.510 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.573 -3.847 -12.274 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -2.953 -4.849 -12.736 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.748 -7.737 -11.123 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -3.050 -7.033 -12.089 1.00 2.72 H new ATOM 1078 N GLU A 73 0.560 -0.726 -8.046 1.00 0.24 N ATOM 1079 CA GLU A 73 1.278 0.528 -8.250 1.00 0.26 C ATOM 1080 C GLU A 73 1.963 0.948 -6.962 1.00 0.25 C ATOM 1081 O GLU A 73 3.117 1.324 -6.957 1.00 0.32 O ATOM 1082 CB GLU A 73 0.304 1.635 -8.656 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.577 1.314 -9.844 1.00 0.50 C ATOM 1084 CD GLU A 73 0.195 1.064 -11.096 1.00 1.41 C ATOM 1085 OE1 GLU A 73 0.566 2.031 -11.768 1.00 1.82 O ATOM 1086 OE2 GLU A 73 0.421 -0.109 -11.446 1.00 2.21 O ATOM 0 H GLU A 73 -0.450 -0.641 -8.160 1.00 0.24 H new ATOM 0 HA GLU A 73 2.016 0.374 -9.037 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.334 1.867 -7.803 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.876 2.536 -8.881 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -1.180 0.435 -9.615 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -1.268 2.140 -10.010 1.00 0.50 H new ATOM 1093 N LEU A 74 1.241 0.818 -5.862 1.00 0.23 N ATOM 1094 CA LEU A 74 1.723 1.242 -4.556 1.00 0.26 C ATOM 1095 C LEU A 74 2.865 0.315 -4.129 1.00 0.25 C ATOM 1096 O LEU A 74 3.902 0.772 -3.645 1.00 0.28 O ATOM 1097 CB LEU A 74 0.539 1.222 -3.546 1.00 0.28 C ATOM 1098 CG LEU A 74 0.677 2.006 -2.208 1.00 0.31 C ATOM 1099 CD1 LEU A 74 -0.648 2.002 -1.477 1.00 1.01 C ATOM 1100 CD2 LEU A 74 1.754 1.432 -1.295 1.00 1.11 C ATOM 0 H LEU A 74 0.304 0.416 -5.848 1.00 0.23 H new ATOM 0 HA LEU A 74 2.111 2.260 -4.590 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.341 1.605 -4.063 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.335 0.180 -3.298 1.00 0.28 H new ATOM 0 HG LEU A 74 0.974 3.023 -2.465 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -0.549 2.551 -0.541 1.00 1.01 H new ATOM 0 HD12 LEU A 74 -1.407 2.477 -2.098 1.00 1.01 H new ATOM 0 HD13 LEU A 74 -0.944 0.974 -1.265 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.804 2.019 -0.378 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.511 0.398 -1.051 1.00 1.11 H new ATOM 0 HD23 LEU A 74 2.718 1.468 -1.802 1.00 1.11 H new ATOM 1112 N LEU A 75 2.672 -0.980 -4.335 1.00 0.24 N ATOM 1113 CA LEU A 75 3.701 -1.972 -4.050 1.00 0.28 C ATOM 1114 C LEU A 75 4.954 -1.665 -4.877 1.00 0.28 C ATOM 1115 O LEU A 75 6.089 -1.725 -4.379 1.00 0.30 O ATOM 1116 CB LEU A 75 3.193 -3.387 -4.365 1.00 0.32 C ATOM 1117 CG LEU A 75 4.120 -4.532 -3.955 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.302 -4.551 -2.449 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.582 -5.864 -4.444 1.00 0.48 C ATOM 0 H LEU A 75 1.804 -1.372 -4.702 1.00 0.24 H new ATOM 0 HA LEU A 75 3.948 -1.927 -2.989 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.232 -3.527 -3.869 1.00 0.32 H new ATOM 0 HB3 LEU A 75 3.012 -3.457 -5.437 1.00 0.32 H new ATOM 0 HG LEU A 75 5.092 -4.368 -4.420 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.964 -5.372 -2.173 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.739 -3.607 -2.123 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.334 -4.688 -1.967 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.258 -6.663 -4.140 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.597 -6.039 -4.012 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.504 -5.848 -5.531 1.00 0.48 H new ATOM 1131 N ASP A 76 4.722 -1.300 -6.131 1.00 0.28 N ATOM 1132 CA ASP A 76 5.777 -0.936 -7.074 1.00 0.33 C ATOM 1133 C ASP A 76 6.520 0.314 -6.612 1.00 0.30 C ATOM 1134 O ASP A 76 7.738 0.410 -6.759 1.00 0.32 O ATOM 1135 CB ASP A 76 5.188 -0.738 -8.473 1.00 0.43 C ATOM 1136 CG ASP A 76 6.195 -0.265 -9.484 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.116 -1.027 -9.818 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.108 0.892 -9.937 1.00 0.68 O ATOM 0 H ASP A 76 3.784 -1.247 -6.529 1.00 0.28 H new ATOM 0 HA ASP A 76 6.499 -1.751 -7.114 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.757 -1.679 -8.814 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.374 -0.016 -8.417 1.00 0.43 H new ATOM 1143 N LEU A 77 5.791 1.247 -6.018 1.00 0.29 N ATOM 1144 CA LEU A 77 6.384 2.461 -5.453 1.00 0.30 C ATOM 1145 C LEU A 77 7.359 2.088 -4.351 1.00 0.28 C ATOM 1146 O LEU A 77 8.470 2.608 -4.290 1.00 0.35 O ATOM 1147 CB LEU A 77 5.312 3.376 -4.866 1.00 0.35 C ATOM 1148 CG LEU A 77 4.246 3.887 -5.818 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.223 4.713 -5.058 1.00 0.49 C ATOM 1150 CD2 LEU A 77 4.875 4.697 -6.943 1.00 0.45 C ATOM 0 H LEU A 77 4.778 1.190 -5.912 1.00 0.29 H new ATOM 0 HA LEU A 77 6.899 2.988 -6.256 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.815 2.840 -4.057 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.809 4.237 -4.420 1.00 0.35 H new ATOM 0 HG LEU A 77 3.736 3.034 -6.266 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.462 5.075 -5.749 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.753 4.096 -4.292 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.718 5.562 -4.586 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.094 5.054 -7.615 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.410 5.549 -6.523 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.572 4.069 -7.498 1.00 0.45 H new ATOM 1162 N ILE A 78 6.935 1.168 -3.494 1.00 0.27 N ATOM 1163 CA ILE A 78 7.768 0.672 -2.407 1.00 0.29 C ATOM 1164 C ILE A 78 9.018 0.016 -2.996 1.00 0.30 C ATOM 1165 O ILE A 78 10.135 0.302 -2.577 1.00 0.31 O ATOM 1166 CB ILE A 78 7.007 -0.361 -1.532 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.700 0.237 -0.975 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.894 -0.842 -0.389 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.891 1.457 -0.089 1.00 0.38 C ATOM 0 H ILE A 78 6.007 0.746 -3.533 1.00 0.27 H new ATOM 0 HA ILE A 78 8.042 1.515 -1.772 1.00 0.29 H new ATOM 0 HB ILE A 78 6.749 -1.211 -2.163 1.00 0.30 H new ATOM 0 HG12 ILE A 78 5.055 0.508 -1.811 1.00 0.31 H new ATOM 0 HG13 ILE A 78 5.178 -0.532 -0.405 1.00 0.31 H new ATOM 0 HG21 ILE A 78 7.348 -1.566 0.216 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.789 -1.312 -0.796 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.180 0.007 0.232 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.920 1.811 0.258 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.508 1.190 0.769 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.383 2.246 -0.658 1.00 0.38 H new ATOM 1181 N ASN A 79 8.805 -0.851 -3.989 1.00 0.34 N ATOM 1182 CA ASN A 79 9.909 -1.534 -4.698 1.00 0.41 C ATOM 1183 C ASN A 79 10.899 -0.516 -5.268 1.00 0.38 C ATOM 1184 O ASN A 79 12.114 -0.657 -5.112 1.00 0.42 O ATOM 1185 CB ASN A 79 9.394 -2.429 -5.854 1.00 0.53 C ATOM 1186 CG ASN A 79 8.759 -3.765 -5.446 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.814 -4.730 -6.202 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.157 -3.848 -4.280 1.00 0.63 N ATOM 0 H ASN A 79 7.876 -1.103 -4.327 1.00 0.34 H new ATOM 0 HA ASN A 79 10.406 -2.167 -3.962 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.660 -1.861 -6.426 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.228 -2.637 -6.524 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.725 -4.726 -3.990 1.00 0.63 H new ATOM 0 HD22 ASN A 79 8.122 -3.035 -3.665 1.00 0.63 H new ATOM 1195 N GLY A 80 10.364 0.523 -5.893 1.00 0.38 N ATOM 1196 CA GLY A 80 11.183 1.556 -6.498 1.00 0.42 C ATOM 1197 C GLY A 80 11.917 2.389 -5.473 1.00 0.38 C ATOM 1198 O GLY A 80 13.042 2.826 -5.709 1.00 0.46 O ATOM 0 H GLY A 80 9.360 0.671 -5.993 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.906 1.094 -7.171 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.552 2.206 -7.105 1.00 0.42 H new ATOM 1202 N ALA A 81 11.292 2.608 -4.341 1.00 0.31 N ATOM 1203 CA ALA A 81 11.902 3.367 -3.273 1.00 0.32 C ATOM 1204 C ALA A 81 13.040 2.571 -2.645 1.00 0.33 C ATOM 1205 O ALA A 81 14.143 3.079 -2.509 1.00 0.45 O ATOM 1206 CB ALA A 81 10.866 3.754 -2.232 1.00 0.33 C ATOM 0 H ALA A 81 10.353 2.268 -4.134 1.00 0.31 H new ATOM 0 HA ALA A 81 12.316 4.286 -3.688 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.345 4.325 -1.436 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.091 4.362 -2.699 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.417 2.853 -1.813 1.00 0.33 H new ATOM 1212 N LEU A 82 12.778 1.294 -2.350 1.00 0.29 N ATOM 1213 CA LEU A 82 13.769 0.383 -1.736 1.00 0.36 C ATOM 1214 C LEU A 82 14.962 0.124 -2.647 1.00 0.46 C ATOM 1215 O LEU A 82 16.033 -0.294 -2.192 1.00 0.61 O ATOM 1216 CB LEU A 82 13.108 -0.938 -1.331 1.00 0.42 C ATOM 1217 CG LEU A 82 12.179 -0.865 -0.121 1.00 0.55 C ATOM 1218 CD1 LEU A 82 11.403 -2.154 0.029 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.993 -0.602 1.141 1.00 0.67 C ATOM 0 H LEU A 82 11.874 0.855 -2.527 1.00 0.29 H new ATOM 0 HA LEU A 82 14.148 0.880 -0.843 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.540 -1.315 -2.181 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.891 -1.667 -1.122 1.00 0.42 H new ATOM 0 HG LEU A 82 11.473 -0.048 -0.272 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.746 -2.084 0.896 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.805 -2.325 -0.866 1.00 0.74 H new ATOM 0 HD13 LEU A 82 12.097 -2.983 0.166 1.00 0.74 H new ATOM 0 HD21 LEU A 82 12.325 -0.551 2.001 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.710 -1.410 1.286 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.527 0.343 1.039 1.00 0.67 H new ATOM 1231 N ALA A 83 14.768 0.356 -3.933 1.00 0.54 N ATOM 1232 CA ALA A 83 15.831 0.234 -4.912 1.00 0.69 C ATOM 1233 C ALA A 83 16.934 1.251 -4.622 1.00 0.73 C ATOM 1234 O ALA A 83 18.124 0.960 -4.793 1.00 0.84 O ATOM 1235 CB ALA A 83 15.285 0.431 -6.319 1.00 0.88 C ATOM 0 H ALA A 83 13.869 0.634 -4.327 1.00 0.54 H new ATOM 0 HA ALA A 83 16.253 -0.769 -4.844 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.096 0.336 -7.041 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.527 -0.325 -6.524 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.840 1.423 -6.401 1.00 0.88 H new ATOM 1241 N GLU A 84 16.533 2.408 -4.130 1.00 0.82 N ATOM 1242 CA GLU A 84 17.449 3.480 -3.831 1.00 1.07 C ATOM 1243 C GLU A 84 17.649 3.600 -2.323 1.00 1.53 C ATOM 1244 O GLU A 84 18.757 3.430 -1.814 1.00 1.82 O ATOM 1245 CB GLU A 84 16.913 4.794 -4.395 1.00 1.50 C ATOM 1246 CG GLU A 84 17.817 5.988 -4.149 1.00 2.18 C ATOM 1247 CD GLU A 84 17.248 7.252 -4.711 1.00 2.92 C ATOM 1248 OE1 GLU A 84 17.407 7.494 -5.926 1.00 3.64 O ATOM 1249 OE2 GLU A 84 16.619 8.019 -3.965 1.00 3.21 O ATOM 0 H GLU A 84 15.557 2.627 -3.927 1.00 0.82 H new ATOM 0 HA GLU A 84 18.411 3.260 -4.294 1.00 1.07 H new ATOM 0 HB2 GLU A 84 16.762 4.681 -5.469 1.00 1.50 H new ATOM 0 HB3 GLU A 84 15.936 4.994 -3.955 1.00 1.50 H new ATOM 0 HG2 GLU A 84 17.975 6.108 -3.077 1.00 2.18 H new ATOM 0 HG3 GLU A 84 18.793 5.801 -4.596 1.00 2.18 H new ATOM 1256 N ALA A 85 16.570 3.857 -1.620 1.00 2.09 N ATOM 1257 CA ALA A 85 16.597 4.052 -0.199 1.00 2.99 C ATOM 1258 C ALA A 85 16.256 2.757 0.499 1.00 3.79 C ATOM 1259 O ALA A 85 15.109 2.322 0.503 1.00 4.38 O ATOM 1260 CB ALA A 85 15.627 5.157 0.203 1.00 3.58 C ATOM 0 H ALA A 85 15.639 3.936 -2.030 1.00 2.09 H new ATOM 0 HA ALA A 85 17.599 4.357 0.102 1.00 2.99 H new ATOM 0 HB1 ALA A 85 15.659 5.293 1.284 1.00 3.58 H new ATOM 0 HB2 ALA A 85 15.911 6.087 -0.289 1.00 3.58 H new ATOM 0 HB3 ALA A 85 14.616 4.881 -0.099 1.00 3.58 H new ATOM 1266 N ALA A 86 17.253 2.132 1.051 1.00 4.29 N ATOM 1267 CA ALA A 86 17.085 0.890 1.739 1.00 5.37 C ATOM 1268 C ALA A 86 17.877 0.942 3.013 1.00 6.06 C ATOM 1269 O ALA A 86 17.300 1.190 4.072 1.00 6.58 O ATOM 1270 CB ALA A 86 17.527 -0.272 0.859 1.00 6.00 C ATOM 1271 OXT ALA A 86 19.115 0.834 2.961 1.00 6.33 O ATOM 0 H ALA A 86 18.214 2.474 1.035 1.00 4.29 H new ATOM 0 HA ALA A 86 16.033 0.732 1.975 1.00 5.37 H new ATOM 0 HB1 ALA A 86 17.392 -1.209 1.399 1.00 6.00 H new ATOM 0 HB2 ALA A 86 16.927 -0.288 -0.051 1.00 6.00 H new ATOM 0 HB3 ALA A 86 18.579 -0.152 0.598 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -9.707 11.160 0.091 1.00 1.37 P HETATM 1279 O26 SXA A 87 -9.712 11.094 -1.465 1.00 2.26 O HETATM 1280 O23 SXA A 87 -11.057 10.939 0.806 1.00 1.84 O HETATM 1281 O27 SXA A 87 -9.176 12.557 0.511 1.00 1.75 O HETATM 1282 C28 SXA A 87 -7.795 12.956 0.146 1.00 2.13 C HETATM 1283 C29 SXA A 87 -7.632 14.483 0.257 1.00 3.11 C HETATM 1284 C30 SXA A 87 -8.656 15.092 -0.691 1.00 3.58 C HETATM 1285 C31 SXA A 87 -7.940 14.930 1.695 1.00 3.66 C HETATM 1286 C32 SXA A 87 -6.121 14.915 -0.128 1.00 3.95 C HETATM 1287 O33 SXA A 87 -5.243 14.581 0.943 1.00 4.27 O HETATM 1288 C34 SXA A 87 -5.985 16.435 -0.266 1.00 4.82 C HETATM 1289 O35 SXA A 87 -5.529 17.089 0.679 1.00 5.39 O HETATM 1290 N36 SXA A 87 -6.375 16.970 -1.401 1.00 5.21 N HETATM 1291 C37 SXA A 87 -6.342 18.397 -1.734 1.00 6.20 C HETATM 1292 C38 SXA A 87 -7.392 18.725 -2.801 1.00 6.79 C HETATM 1293 C39 SXA A 87 -8.809 18.407 -2.336 1.00 6.69 C HETATM 1294 O40 SXA A 87 -9.171 18.597 -1.163 1.00 7.13 O HETATM 1295 N41 SXA A 87 -9.608 17.910 -3.259 1.00 6.49 N HETATM 1296 C42 SXA A 87 -10.986 17.531 -2.997 1.00 6.81 C HETATM 1297 C43 SXA A 87 -11.639 16.887 -4.205 1.00 6.95 C HETATM 1298 S1 SXA A 87 -13.116 16.116 -3.721 1.00 7.34 S HETATM 1299 C1 SXA A 87 -14.034 17.507 -3.198 1.00 7.74 C HETATM 1300 O1 SXA A 87 -13.723 18.696 -3.429 1.00 7.80 O HETATM 1301 C2 SXA A 87 -15.276 17.161 -2.405 1.00 8.41 C HETATM 0 HO33 SXA A 87 -4.858 15.400 1.318 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -9.241 17.785 -4.203 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -6.733 16.335 -2.115 1.00 5.21 H new HETATM 0 H43A SXA A 87 -11.842 17.640 -4.967 1.00 6.95 H new HETATM 0 H42A SXA A 87 -11.018 16.838 -2.156 1.00 6.81 H new HETATM 0 H38A SXA A 87 -7.326 19.782 -3.060 1.00 6.79 H new HETATM 0 H37A SXA A 87 -6.528 18.990 -0.838 1.00 6.20 H new HETATM 0 H31B SXA A 87 -8.964 14.655 1.950 1.00 3.66 H new HETATM 0 H31A SXA A 87 -7.251 14.441 2.384 1.00 3.66 H new HETATM 0 H30B SXA A 87 -8.459 14.751 -1.707 1.00 3.58 H new HETATM 0 H30A SXA A 87 -9.658 14.783 -0.392 1.00 3.58 H new HETATM 0 H28A SXA A 87 -7.080 12.459 0.802 1.00 2.13 H new HETATM 0 H43 SXA A 87 -10.964 16.156 -4.651 1.00 6.95 H new HETATM 0 H42 SXA A 87 -11.555 18.413 -2.705 1.00 6.81 H new HETATM 0 H38 SXA A 87 -7.174 18.160 -3.708 1.00 6.79 H new HETATM 0 H37 SXA A 87 -5.350 18.669 -2.096 1.00 6.20 H new HETATM 0 H32 SXA A 87 -5.883 14.406 -1.062 1.00 3.95 H new HETATM 0 H31 SXA A 87 -7.824 16.011 1.773 1.00 3.66 H new HETATM 0 H30 SXA A 87 -8.585 16.179 -0.653 1.00 3.58 H new HETATM 0 H2B SXA A 87 -15.939 16.549 -3.016 1.00 8.41 H new HETATM 0 H2A SXA A 87 -14.994 16.607 -1.510 1.00 8.41 H new HETATM 0 H28 SXA A 87 -7.573 12.633 -0.871 1.00 2.13 H new HETATM 0 H2 SXA A 87 -15.791 18.078 -2.117 1.00 8.41 H new