USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 76:sc= -0.138 USER MOD Set 1.2: A 48 THR OG1 : rot 70:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.055 (180deg=-0.375) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0392 (180deg=-0.406) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -74:sc= 1.69 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00306 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 68:sc= 0.0637 USER MOD Single : A 27 SER OG : rot -97:sc= 0.717 USER MOD Single : A 40 TYR OH : rot 155:sc= -0.844 USER MOD Single : A 46 MET CE :methyl 139:sc= -0.349 (180deg=-1.53!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 15:sc= -2.14! USER MOD Single : A 59 SER OG : rot 38:sc= 0.0221 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 79 ASN : amide:sc= 0.205 K(o=0.21,f=-2.9) USER MOD Single : A 87 SXO O33 : rot -3:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.264 16.005 5.792 1.00 3.98 N ATOM 2 CA MET A 1 -14.853 15.055 4.823 1.00 3.18 C ATOM 3 C MET A 1 -14.010 13.784 4.769 1.00 2.64 C ATOM 4 O MET A 1 -12.977 13.695 5.431 1.00 2.90 O ATOM 5 CB MET A 1 -14.942 15.702 3.440 1.00 3.46 C ATOM 6 CG MET A 1 -15.793 16.966 3.416 1.00 3.84 C ATOM 7 SD MET A 1 -15.802 17.783 1.810 1.00 4.73 S ATOM 8 CE MET A 1 -16.602 16.545 0.796 1.00 5.02 C ATOM 0 H1 MET A 1 -15.023 16.455 6.342 1.00 3.98 H new ATOM 0 H2 MET A 1 -13.626 15.494 6.435 1.00 3.98 H new ATOM 0 H3 MET A 1 -13.728 16.735 5.281 1.00 3.98 H new ATOM 0 HA MET A 1 -15.861 14.793 5.144 1.00 3.18 H new ATOM 0 HB2 MET A 1 -13.937 15.943 3.095 1.00 3.46 H new ATOM 0 HB3 MET A 1 -15.356 14.981 2.736 1.00 3.46 H new ATOM 0 HG2 MET A 1 -16.816 16.713 3.694 1.00 3.84 H new ATOM 0 HG3 MET A 1 -15.421 17.661 4.168 1.00 3.84 H new ATOM 0 HE1 MET A 1 -16.919 16.995 -0.145 1.00 5.02 H new ATOM 0 HE2 MET A 1 -15.903 15.734 0.593 1.00 5.02 H new ATOM 0 HE3 MET A 1 -17.472 16.151 1.321 1.00 5.02 H new ATOM 20 N ALA A 2 -14.443 12.809 3.981 1.00 2.32 N ATOM 21 CA ALA A 2 -13.749 11.530 3.892 1.00 1.93 C ATOM 22 C ALA A 2 -12.705 11.561 2.785 1.00 1.46 C ATOM 23 O ALA A 2 -12.957 12.065 1.691 1.00 1.43 O ATOM 24 CB ALA A 2 -14.746 10.407 3.647 1.00 2.06 C ATOM 0 H ALA A 2 -15.273 12.879 3.393 1.00 2.32 H new ATOM 0 HA ALA A 2 -13.240 11.347 4.838 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -14.215 9.457 3.582 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -15.460 10.369 4.470 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.278 10.590 2.713 1.00 2.06 H new ATOM 30 N THR A 3 -11.532 11.034 3.074 1.00 1.35 N ATOM 31 CA THR A 3 -10.476 10.982 2.084 1.00 1.09 C ATOM 32 C THR A 3 -10.222 9.548 1.633 1.00 0.90 C ATOM 33 O THR A 3 -10.176 8.623 2.446 1.00 1.14 O ATOM 34 CB THR A 3 -9.164 11.612 2.612 1.00 1.49 C ATOM 35 OG1 THR A 3 -8.158 11.571 1.591 1.00 2.10 O ATOM 36 CG2 THR A 3 -8.661 10.895 3.855 1.00 2.10 C ATOM 0 H THR A 3 -11.287 10.638 3.981 1.00 1.35 H new ATOM 0 HA THR A 3 -10.811 11.567 1.227 1.00 1.09 H new ATOM 0 HB THR A 3 -9.375 12.647 2.881 1.00 1.49 H new ATOM 0 HG1 THR A 3 -7.331 11.972 1.930 1.00 2.10 H new ATOM 0 HG21 THR A 3 -7.739 11.364 4.198 1.00 2.10 H new ATOM 0 HG22 THR A 3 -9.414 10.958 4.641 1.00 2.10 H new ATOM 0 HG23 THR A 3 -8.470 9.848 3.619 1.00 2.10 H new ATOM 44 N LEU A 4 -10.095 9.367 0.329 1.00 0.64 N ATOM 45 CA LEU A 4 -9.750 8.072 -0.234 1.00 0.51 C ATOM 46 C LEU A 4 -8.247 7.860 -0.149 1.00 0.45 C ATOM 47 O LEU A 4 -7.522 8.718 0.366 1.00 0.52 O ATOM 48 CB LEU A 4 -10.211 7.982 -1.688 1.00 0.57 C ATOM 49 CG LEU A 4 -11.722 8.101 -1.899 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.059 8.002 -3.378 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.458 7.035 -1.102 1.00 0.84 C ATOM 0 H LEU A 4 -10.226 10.105 -0.363 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.255 7.293 0.337 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.717 8.768 -2.259 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -9.876 7.030 -2.101 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.048 9.077 -1.539 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.137 8.088 -3.512 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.560 8.806 -3.919 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.721 7.040 -3.765 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.531 7.135 -1.264 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.132 6.047 -1.428 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.239 7.157 -0.041 1.00 0.84 H new ATOM 63 N LEU A 5 -7.777 6.733 -0.659 1.00 0.39 N ATOM 64 CA LEU A 5 -6.358 6.421 -0.622 1.00 0.35 C ATOM 65 C LEU A 5 -5.666 7.114 -1.789 1.00 0.35 C ATOM 66 O LEU A 5 -6.008 6.879 -2.950 1.00 0.41 O ATOM 67 CB LEU A 5 -6.164 4.896 -0.689 1.00 0.38 C ATOM 68 CG LEU A 5 -4.804 4.357 -0.220 1.00 0.58 C ATOM 69 CD1 LEU A 5 -4.869 2.849 -0.037 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.702 4.704 -1.204 1.00 0.98 C ATOM 0 H LEU A 5 -8.356 6.020 -1.103 1.00 0.39 H new ATOM 0 HA LEU A 5 -5.917 6.779 0.308 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -6.943 4.426 -0.088 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.320 4.577 -1.719 1.00 0.38 H new ATOM 0 HG LEU A 5 -4.573 4.829 0.735 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -3.898 2.481 0.295 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.625 2.605 0.710 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.130 2.378 -0.985 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.753 4.308 -0.842 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.931 4.266 -2.176 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -3.629 5.787 -1.302 1.00 0.98 H new ATOM 82 N THR A 6 -4.692 7.960 -1.477 1.00 0.39 N ATOM 83 CA THR A 6 -3.979 8.710 -2.503 1.00 0.49 C ATOM 84 C THR A 6 -2.541 8.228 -2.611 1.00 0.42 C ATOM 85 O THR A 6 -2.071 7.481 -1.747 1.00 0.41 O ATOM 86 CB THR A 6 -3.982 10.225 -2.207 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.231 10.503 -1.017 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.401 10.737 -2.045 1.00 1.03 C ATOM 0 H THR A 6 -4.378 8.144 -0.524 1.00 0.39 H new ATOM 0 HA THR A 6 -4.499 8.539 -3.446 1.00 0.49 H new ATOM 0 HB THR A 6 -3.518 10.735 -3.051 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.746 10.222 -0.232 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.380 11.807 -1.837 1.00 1.03 H new ATOM 0 HG22 THR A 6 -5.960 10.557 -2.963 1.00 1.03 H new ATOM 0 HG23 THR A 6 -5.884 10.216 -1.218 1.00 1.03 H new ATOM 96 N THR A 7 -1.840 8.642 -3.664 1.00 0.47 N ATOM 97 CA THR A 7 -0.428 8.318 -3.801 1.00 0.45 C ATOM 98 C THR A 7 0.382 8.866 -2.630 1.00 0.34 C ATOM 99 O THR A 7 1.341 8.235 -2.190 1.00 0.33 O ATOM 100 CB THR A 7 0.164 8.827 -5.134 1.00 0.59 C ATOM 101 OG1 THR A 7 -0.324 10.142 -5.440 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.174 7.872 -6.268 1.00 1.06 C ATOM 0 H THR A 7 -2.225 9.198 -4.427 1.00 0.47 H new ATOM 0 HA THR A 7 -0.361 7.230 -3.800 1.00 0.45 H new ATOM 0 HB THR A 7 1.247 8.875 -5.024 1.00 0.59 H new ATOM 0 HG1 THR A 7 0.064 10.446 -6.287 1.00 1.30 H new ATOM 0 HG21 THR A 7 0.251 8.247 -7.199 1.00 1.06 H new ATOM 0 HG22 THR A 7 0.241 6.888 -6.050 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.257 7.796 -6.369 1.00 1.06 H new ATOM 110 N ASP A 8 -0.019 10.025 -2.110 1.00 0.41 N ATOM 111 CA ASP A 8 0.683 10.630 -0.981 1.00 0.46 C ATOM 112 C ASP A 8 0.413 9.850 0.300 1.00 0.40 C ATOM 113 O ASP A 8 1.337 9.568 1.069 1.00 0.48 O ATOM 114 CB ASP A 8 0.280 12.095 -0.795 1.00 0.64 C ATOM 115 CG ASP A 8 1.048 12.765 0.334 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.213 13.154 0.122 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.483 12.908 1.443 1.00 2.19 O ATOM 0 H ASP A 8 -0.819 10.559 -2.449 1.00 0.41 H new ATOM 0 HA ASP A 8 1.750 10.594 -1.200 1.00 0.46 H new ATOM 0 HB2 ASP A 8 0.455 12.639 -1.723 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -0.789 12.152 -0.589 1.00 0.64 H new ATOM 122 N ASP A 9 -0.847 9.483 0.514 1.00 0.40 N ATOM 123 CA ASP A 9 -1.226 8.687 1.680 1.00 0.44 C ATOM 124 C ASP A 9 -0.494 7.357 1.682 1.00 0.38 C ATOM 125 O ASP A 9 0.106 6.971 2.682 1.00 0.44 O ATOM 126 CB ASP A 9 -2.733 8.426 1.707 1.00 0.58 C ATOM 127 CG ASP A 9 -3.531 9.587 2.266 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.604 9.712 3.510 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.097 10.364 1.466 1.00 1.12 O ATOM 0 H ASP A 9 -1.623 9.723 -0.103 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.949 9.258 2.566 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.076 8.212 0.695 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.930 7.537 2.305 1.00 0.58 H new ATOM 134 N LEU A 10 -0.539 6.667 0.548 1.00 0.35 N ATOM 135 CA LEU A 10 0.143 5.389 0.405 1.00 0.37 C ATOM 136 C LEU A 10 1.646 5.567 0.612 1.00 0.37 C ATOM 137 O LEU A 10 2.274 4.804 1.345 1.00 0.42 O ATOM 138 CB LEU A 10 -0.138 4.793 -0.975 1.00 0.42 C ATOM 139 CG LEU A 10 0.440 3.394 -1.221 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.146 2.378 -0.247 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.179 2.966 -2.653 1.00 0.79 C ATOM 0 H LEU A 10 -1.041 6.973 -0.285 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.233 4.703 1.164 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.217 4.752 -1.121 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.260 5.469 -1.731 1.00 0.42 H new ATOM 0 HG LEU A 10 1.516 3.436 -1.054 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.282 1.395 -0.445 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.088 2.677 0.775 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.228 2.335 -0.373 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.594 1.971 -2.817 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.895 2.946 -2.837 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.651 3.673 -3.336 1.00 0.79 H new ATOM 153 N ARG A 11 2.202 6.595 -0.025 1.00 0.37 N ATOM 154 CA ARG A 11 3.620 6.909 0.091 1.00 0.45 C ATOM 155 C ARG A 11 4.027 7.056 1.555 1.00 0.48 C ATOM 156 O ARG A 11 5.007 6.463 1.996 1.00 0.60 O ATOM 157 CB ARG A 11 3.934 8.196 -0.675 1.00 0.52 C ATOM 158 CG ARG A 11 5.392 8.603 -0.629 1.00 0.67 C ATOM 159 CD ARG A 11 5.676 9.753 -1.577 1.00 0.85 C ATOM 160 NE ARG A 11 4.922 10.959 -1.251 1.00 1.04 N ATOM 161 CZ ARG A 11 5.148 12.151 -1.810 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.080 12.293 -2.754 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.432 13.202 -1.447 1.00 2.17 N ATOM 0 H ARG A 11 1.684 7.230 -0.633 1.00 0.37 H new ATOM 0 HA ARG A 11 4.191 6.087 -0.340 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.636 8.068 -1.716 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.329 9.006 -0.267 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.658 8.893 0.387 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.018 7.750 -0.891 1.00 0.67 H new ATOM 0 HD2 ARG A 11 6.742 9.980 -1.555 1.00 0.85 H new ATOM 0 HD3 ARG A 11 5.437 9.445 -2.595 1.00 0.85 H new ATOM 0 HE ARG A 11 4.179 10.888 -0.556 1.00 1.04 H new ATOM 0 HH11 ARG A 11 6.628 11.487 -3.055 1.00 1.64 H new ATOM 0 HH12 ARG A 11 6.245 13.208 -3.175 1.00 1.64 H new ATOM 0 HH21 ARG A 11 3.705 13.104 -0.738 1.00 2.17 H new ATOM 0 HH22 ARG A 11 4.607 14.111 -1.876 1.00 2.17 H new ATOM 177 N ARG A 12 3.252 7.833 2.308 1.00 0.43 N ATOM 178 CA ARG A 12 3.540 8.056 3.718 1.00 0.46 C ATOM 179 C ARG A 12 3.324 6.784 4.525 1.00 0.44 C ATOM 180 O ARG A 12 4.089 6.491 5.439 1.00 0.46 O ATOM 181 CB ARG A 12 2.675 9.186 4.280 1.00 0.53 C ATOM 182 CG ARG A 12 2.957 10.541 3.648 1.00 0.91 C ATOM 183 CD ARG A 12 2.187 11.647 4.346 1.00 1.49 C ATOM 184 NE ARG A 12 2.614 11.807 5.735 1.00 2.06 N ATOM 185 CZ ARG A 12 2.134 12.740 6.556 1.00 2.93 C ATOM 186 NH1 ARG A 12 1.207 13.590 6.138 1.00 3.32 N ATOM 187 NH2 ARG A 12 2.588 12.828 7.804 1.00 3.66 N ATOM 0 H ARG A 12 2.422 8.317 1.964 1.00 0.43 H new ATOM 0 HA ARG A 12 4.588 8.346 3.800 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.624 8.937 4.131 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.837 9.255 5.356 1.00 0.53 H new ATOM 0 HG2 ARG A 12 4.025 10.752 3.697 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.685 10.516 2.593 1.00 0.91 H new ATOM 0 HD2 ARG A 12 2.331 12.585 3.810 1.00 1.49 H new ATOM 0 HD3 ARG A 12 1.121 11.423 4.316 1.00 1.49 H new ATOM 0 HE ARG A 12 3.321 11.167 6.097 1.00 2.06 H new ATOM 0 HH11 ARG A 12 0.856 13.533 5.182 1.00 3.32 H new ATOM 0 HH12 ARG A 12 0.844 14.302 6.772 1.00 3.32 H new ATOM 0 HH21 ARG A 12 3.304 12.181 8.133 1.00 3.66 H new ATOM 0 HH22 ARG A 12 2.220 13.543 8.431 1.00 3.66 H new ATOM 201 N ALA A 13 2.304 6.018 4.155 1.00 0.43 N ATOM 202 CA ALA A 13 1.952 4.796 4.868 1.00 0.44 C ATOM 203 C ALA A 13 3.112 3.807 4.872 1.00 0.43 C ATOM 204 O ALA A 13 3.395 3.165 5.889 1.00 0.47 O ATOM 205 CB ALA A 13 0.727 4.155 4.235 1.00 0.49 C ATOM 0 H ALA A 13 1.702 6.224 3.358 1.00 0.43 H new ATOM 0 HA ALA A 13 1.727 5.062 5.901 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.473 3.243 4.776 1.00 0.49 H new ATOM 0 HB2 ALA A 13 -0.112 4.850 4.281 1.00 0.49 H new ATOM 0 HB3 ALA A 13 0.940 3.912 3.194 1.00 0.49 H new ATOM 211 N LEU A 14 3.778 3.694 3.734 1.00 0.41 N ATOM 212 CA LEU A 14 4.923 2.808 3.602 1.00 0.45 C ATOM 213 C LEU A 14 6.100 3.306 4.437 1.00 0.47 C ATOM 214 O LEU A 14 6.836 2.513 5.019 1.00 0.53 O ATOM 215 CB LEU A 14 5.316 2.692 2.132 1.00 0.49 C ATOM 216 CG LEU A 14 4.288 1.980 1.251 1.00 0.51 C ATOM 217 CD1 LEU A 14 4.096 2.725 -0.061 1.00 0.79 C ATOM 218 CD2 LEU A 14 4.712 0.539 0.990 1.00 0.70 C ATOM 0 H LEU A 14 3.544 4.208 2.885 1.00 0.41 H new ATOM 0 HA LEU A 14 4.647 1.822 3.975 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.484 3.693 1.735 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.264 2.159 2.064 1.00 0.49 H new ATOM 0 HG LEU A 14 3.335 1.968 1.780 1.00 0.51 H new ATOM 0 HD11 LEU A 14 3.361 2.202 -0.672 1.00 0.79 H new ATOM 0 HD12 LEU A 14 3.744 3.736 0.143 1.00 0.79 H new ATOM 0 HD13 LEU A 14 5.045 2.772 -0.595 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.968 0.049 0.362 1.00 0.70 H new ATOM 0 HD22 LEU A 14 5.677 0.530 0.484 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.794 0.007 1.938 1.00 0.70 H new ATOM 230 N VAL A 15 6.255 4.624 4.508 1.00 0.50 N ATOM 231 CA VAL A 15 7.324 5.234 5.297 1.00 0.57 C ATOM 232 C VAL A 15 7.031 5.112 6.796 1.00 0.60 C ATOM 233 O VAL A 15 7.937 4.907 7.604 1.00 0.71 O ATOM 234 CB VAL A 15 7.516 6.722 4.926 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.655 7.340 5.723 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.766 6.871 3.429 1.00 0.60 C ATOM 0 H VAL A 15 5.653 5.293 4.028 1.00 0.50 H new ATOM 0 HA VAL A 15 8.244 4.697 5.068 1.00 0.57 H new ATOM 0 HB VAL A 15 6.600 7.255 5.179 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.769 8.387 5.443 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.433 7.271 6.788 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.580 6.805 5.510 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.899 7.925 3.185 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.664 6.319 3.153 1.00 0.60 H new ATOM 0 HG23 VAL A 15 6.913 6.476 2.877 1.00 0.60 H new ATOM 246 N GLU A 16 5.758 5.240 7.156 1.00 0.59 N ATOM 247 CA GLU A 16 5.320 5.063 8.536 1.00 0.70 C ATOM 248 C GLU A 16 5.622 3.646 9.020 1.00 0.75 C ATOM 249 O GLU A 16 5.923 3.428 10.194 1.00 0.92 O ATOM 250 CB GLU A 16 3.816 5.341 8.660 1.00 0.86 C ATOM 251 CG GLU A 16 3.441 6.799 8.434 1.00 0.96 C ATOM 252 CD GLU A 16 1.952 6.994 8.225 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.161 6.541 9.082 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.568 7.585 7.194 1.00 1.28 O ATOM 0 H GLU A 16 5.006 5.468 6.505 1.00 0.59 H new ATOM 0 HA GLU A 16 5.867 5.772 9.158 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.281 4.722 7.940 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.480 5.039 9.652 1.00 0.86 H new ATOM 0 HG2 GLU A 16 3.764 7.390 9.291 1.00 0.96 H new ATOM 0 HG3 GLU A 16 3.979 7.178 7.565 1.00 0.96 H new ATOM 261 N SER A 17 5.542 2.691 8.101 1.00 0.68 N ATOM 262 CA SER A 17 5.817 1.297 8.417 1.00 0.78 C ATOM 263 C SER A 17 7.321 1.022 8.381 1.00 0.80 C ATOM 264 O SER A 17 7.903 0.529 9.345 1.00 1.05 O ATOM 265 CB SER A 17 5.092 0.400 7.418 1.00 0.81 C ATOM 266 OG SER A 17 3.731 0.778 7.311 1.00 1.25 O ATOM 0 H SER A 17 5.288 2.859 7.128 1.00 0.68 H new ATOM 0 HA SER A 17 5.458 1.083 9.424 1.00 0.78 H new ATOM 0 HB2 SER A 17 5.573 0.469 6.442 1.00 0.81 H new ATOM 0 HB3 SER A 17 5.163 -0.640 7.736 1.00 0.81 H new ATOM 0 HG SER A 17 3.660 1.600 6.782 1.00 1.25 H new ATOM 272 N ALA A 18 7.943 1.354 7.260 1.00 0.74 N ATOM 273 CA ALA A 18 9.366 1.148 7.086 1.00 0.87 C ATOM 274 C ALA A 18 10.047 2.453 6.707 1.00 1.11 C ATOM 275 O ALA A 18 10.130 2.806 5.532 1.00 1.68 O ATOM 276 CB ALA A 18 9.624 0.080 6.033 1.00 1.09 C ATOM 0 H ALA A 18 7.477 1.770 6.454 1.00 0.74 H new ATOM 0 HA ALA A 18 9.786 0.804 8.031 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.698 -0.062 5.915 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.166 -0.858 6.346 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.193 0.394 5.083 1.00 1.09 H new ATOM 282 N GLY A 19 10.507 3.180 7.711 1.00 1.18 N ATOM 283 CA GLY A 19 11.154 4.448 7.467 1.00 1.63 C ATOM 284 C GLY A 19 12.615 4.435 7.855 1.00 1.60 C ATOM 285 O GLY A 19 12.974 4.833 8.963 1.00 2.14 O ATOM 0 H GLY A 19 10.443 2.913 8.693 1.00 1.18 H new ATOM 0 HA2 GLY A 19 11.064 4.701 6.411 1.00 1.63 H new ATOM 0 HA3 GLY A 19 10.639 5.229 8.027 1.00 1.63 H new ATOM 289 N GLU A 20 13.461 3.974 6.948 1.00 1.86 N ATOM 290 CA GLU A 20 14.891 3.936 7.197 1.00 2.28 C ATOM 291 C GLU A 20 15.606 4.926 6.286 1.00 2.06 C ATOM 292 O GLU A 20 15.001 5.488 5.372 1.00 2.51 O ATOM 293 CB GLU A 20 15.432 2.505 7.044 1.00 3.28 C ATOM 294 CG GLU A 20 15.071 1.818 5.734 1.00 4.13 C ATOM 295 CD GLU A 20 16.101 2.025 4.643 1.00 4.94 C ATOM 296 OE1 GLU A 20 15.988 3.026 3.907 1.00 5.32 O ATOM 297 OE2 GLU A 20 17.029 1.193 4.517 1.00 5.47 O ATOM 0 H GLU A 20 13.181 3.621 6.033 1.00 1.86 H new ATOM 0 HA GLU A 20 15.085 4.238 8.226 1.00 2.28 H new ATOM 0 HB2 GLU A 20 16.518 2.531 7.136 1.00 3.28 H new ATOM 0 HB3 GLU A 20 15.057 1.900 7.870 1.00 3.28 H new ATOM 0 HG2 GLU A 20 14.952 0.749 5.913 1.00 4.13 H new ATOM 0 HG3 GLU A 20 14.107 2.193 5.389 1.00 4.13 H new ATOM 304 N THR A 21 16.884 5.149 6.550 1.00 2.21 N ATOM 305 CA THR A 21 17.651 6.158 5.839 1.00 2.61 C ATOM 306 C THR A 21 18.719 5.518 4.965 1.00 2.53 C ATOM 307 O THR A 21 19.910 5.804 5.099 1.00 3.19 O ATOM 308 CB THR A 21 18.320 7.112 6.834 1.00 3.61 C ATOM 309 OG1 THR A 21 17.406 7.413 7.899 1.00 3.97 O ATOM 310 CG2 THR A 21 18.753 8.409 6.160 1.00 4.47 C ATOM 0 H THR A 21 17.415 4.640 7.257 1.00 2.21 H new ATOM 0 HA THR A 21 16.962 6.713 5.203 1.00 2.61 H new ATOM 0 HB THR A 21 19.209 6.619 7.228 1.00 3.61 H new ATOM 0 HG1 THR A 21 17.835 8.022 8.536 1.00 3.97 H new ATOM 0 HG21 THR A 21 19.224 9.062 6.895 1.00 4.47 H new ATOM 0 HG22 THR A 21 19.464 8.186 5.365 1.00 4.47 H new ATOM 0 HG23 THR A 21 17.881 8.908 5.737 1.00 4.47 H new ATOM 318 N ASP A 22 18.296 4.635 4.090 1.00 2.22 N ATOM 319 CA ASP A 22 19.215 3.989 3.164 1.00 2.50 C ATOM 320 C ASP A 22 18.628 3.926 1.759 1.00 2.35 C ATOM 321 O ASP A 22 19.160 4.527 0.824 1.00 2.83 O ATOM 322 CB ASP A 22 19.552 2.579 3.654 1.00 3.16 C ATOM 323 CG ASP A 22 20.551 1.857 2.773 1.00 3.77 C ATOM 324 OD1 ASP A 22 20.137 1.303 1.734 1.00 4.40 O ATOM 325 OD2 ASP A 22 21.761 1.881 3.088 1.00 4.01 O ATOM 0 H ASP A 22 17.323 4.344 3.995 1.00 2.22 H new ATOM 0 HA ASP A 22 20.128 4.584 3.125 1.00 2.50 H new ATOM 0 HB2 ASP A 22 19.950 2.640 4.667 1.00 3.16 H new ATOM 0 HB3 ASP A 22 18.635 1.992 3.707 1.00 3.16 H new ATOM 330 N GLY A 23 17.515 3.212 1.612 1.00 2.30 N ATOM 331 CA GLY A 23 16.948 3.006 0.292 1.00 2.50 C ATOM 332 C GLY A 23 15.469 3.321 0.221 1.00 2.18 C ATOM 333 O GLY A 23 14.822 3.035 -0.786 1.00 2.54 O ATOM 0 H GLY A 23 17.000 2.776 2.377 1.00 2.30 H new ATOM 0 HA2 GLY A 23 17.480 3.630 -0.426 1.00 2.50 H new ATOM 0 HA3 GLY A 23 17.107 1.970 -0.007 1.00 2.50 H new ATOM 337 N THR A 24 14.933 3.909 1.276 1.00 1.95 N ATOM 338 CA THR A 24 13.520 4.260 1.307 1.00 2.00 C ATOM 339 C THR A 24 13.254 5.545 0.516 1.00 1.78 C ATOM 340 O THR A 24 13.181 6.635 1.086 1.00 1.91 O ATOM 341 CB THR A 24 13.025 4.439 2.756 1.00 2.29 C ATOM 342 OG1 THR A 24 13.396 3.302 3.544 1.00 3.02 O ATOM 343 CG2 THR A 24 11.511 4.607 2.811 1.00 2.19 C ATOM 0 H THR A 24 15.450 4.154 2.120 1.00 1.95 H new ATOM 0 HA THR A 24 12.973 3.439 0.844 1.00 2.00 H new ATOM 0 HB THR A 24 13.491 5.340 3.155 1.00 2.29 H new ATOM 0 HG1 THR A 24 14.371 3.278 3.645 1.00 3.02 H new ATOM 0 HG21 THR A 24 11.196 4.731 3.847 1.00 2.19 H new ATOM 0 HG22 THR A 24 11.221 5.487 2.236 1.00 2.19 H new ATOM 0 HG23 THR A 24 11.031 3.724 2.389 1.00 2.19 H new ATOM 351 N ASP A 25 13.157 5.427 -0.803 1.00 1.72 N ATOM 352 CA ASP A 25 12.829 6.573 -1.641 1.00 1.73 C ATOM 353 C ASP A 25 11.552 6.324 -2.427 1.00 1.40 C ATOM 354 O ASP A 25 11.506 5.465 -3.304 1.00 1.55 O ATOM 355 CB ASP A 25 13.968 6.904 -2.605 1.00 2.18 C ATOM 356 CG ASP A 25 13.641 8.098 -3.489 1.00 2.30 C ATOM 357 OD1 ASP A 25 13.800 9.245 -3.028 1.00 2.59 O ATOM 358 OD2 ASP A 25 13.207 7.900 -4.645 1.00 2.76 O ATOM 0 H ASP A 25 13.300 4.555 -1.312 1.00 1.72 H new ATOM 0 HA ASP A 25 12.678 7.424 -0.977 1.00 1.73 H new ATOM 0 HB2 ASP A 25 14.875 7.112 -2.037 1.00 2.18 H new ATOM 0 HB3 ASP A 25 14.176 6.036 -3.231 1.00 2.18 H new ATOM 363 N LEU A 26 10.511 7.064 -2.089 1.00 1.15 N ATOM 364 CA LEU A 26 9.258 7.011 -2.824 1.00 1.01 C ATOM 365 C LEU A 26 8.931 8.395 -3.356 1.00 1.04 C ATOM 366 O LEU A 26 7.772 8.795 -3.407 1.00 1.18 O ATOM 367 CB LEU A 26 8.123 6.514 -1.922 1.00 1.12 C ATOM 368 CG LEU A 26 8.298 5.105 -1.347 1.00 0.89 C ATOM 369 CD1 LEU A 26 7.135 4.768 -0.429 1.00 1.28 C ATOM 370 CD2 LEU A 26 8.407 4.074 -2.463 1.00 1.60 C ATOM 0 H LEU A 26 10.509 7.714 -1.303 1.00 1.15 H new ATOM 0 HA LEU A 26 9.363 6.314 -3.655 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.010 7.213 -1.093 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.194 6.541 -2.491 1.00 1.12 H new ATOM 0 HG LEU A 26 9.223 5.081 -0.770 1.00 0.89 H new ATOM 0 HD11 LEU A 26 7.269 3.764 -0.025 1.00 1.28 H new ATOM 0 HD12 LEU A 26 7.098 5.486 0.390 1.00 1.28 H new ATOM 0 HD13 LEU A 26 6.203 4.811 -0.992 1.00 1.28 H new ATOM 0 HD21 LEU A 26 8.531 3.081 -2.030 1.00 1.60 H new ATOM 0 HD22 LEU A 26 7.501 4.096 -3.068 1.00 1.60 H new ATOM 0 HD23 LEU A 26 9.268 4.306 -3.090 1.00 1.60 H new ATOM 382 N SER A 27 9.973 9.104 -3.770 1.00 1.09 N ATOM 383 CA SER A 27 9.867 10.502 -4.172 1.00 1.24 C ATOM 384 C SER A 27 8.806 10.727 -5.251 1.00 1.33 C ATOM 385 O SER A 27 7.781 11.363 -4.995 1.00 1.85 O ATOM 386 CB SER A 27 11.235 10.998 -4.649 1.00 1.39 C ATOM 387 OG SER A 27 11.852 10.049 -5.511 1.00 2.08 O ATOM 0 H SER A 27 10.918 8.726 -3.837 1.00 1.09 H new ATOM 0 HA SER A 27 9.547 11.075 -3.302 1.00 1.24 H new ATOM 0 HB2 SER A 27 11.119 11.947 -5.172 1.00 1.39 H new ATOM 0 HB3 SER A 27 11.878 11.184 -3.789 1.00 1.39 H new ATOM 0 HG SER A 27 12.479 9.499 -4.997 1.00 2.08 H new ATOM 393 N GLY A 28 9.049 10.197 -6.440 1.00 1.34 N ATOM 394 CA GLY A 28 8.133 10.411 -7.542 1.00 1.58 C ATOM 395 C GLY A 28 7.070 9.338 -7.634 1.00 1.41 C ATOM 396 O GLY A 28 6.151 9.286 -6.813 1.00 1.84 O ATOM 0 H GLY A 28 9.863 9.623 -6.662 1.00 1.34 H new ATOM 0 HA2 GLY A 28 7.653 11.383 -7.427 1.00 1.58 H new ATOM 0 HA3 GLY A 28 8.695 10.441 -8.476 1.00 1.58 H new ATOM 400 N ASP A 29 7.185 8.488 -8.642 1.00 1.35 N ATOM 401 CA ASP A 29 6.228 7.410 -8.843 1.00 1.28 C ATOM 402 C ASP A 29 6.831 6.065 -8.464 1.00 1.21 C ATOM 403 O ASP A 29 8.035 5.841 -8.607 1.00 1.84 O ATOM 404 CB ASP A 29 5.744 7.363 -10.294 1.00 1.54 C ATOM 405 CG ASP A 29 4.808 6.193 -10.549 1.00 2.18 C ATOM 406 OD1 ASP A 29 3.952 5.917 -9.685 1.00 2.77 O ATOM 407 OD2 ASP A 29 4.917 5.561 -11.621 1.00 2.64 O ATOM 0 H ASP A 29 7.933 8.523 -9.335 1.00 1.35 H new ATOM 0 HA ASP A 29 5.375 7.611 -8.194 1.00 1.28 H new ATOM 0 HB2 ASP A 29 5.232 8.295 -10.535 1.00 1.54 H new ATOM 0 HB3 ASP A 29 6.604 7.290 -10.960 1.00 1.54 H new ATOM 412 N PHE A 30 5.978 5.177 -7.988 1.00 0.72 N ATOM 413 CA PHE A 30 6.386 3.849 -7.571 1.00 0.64 C ATOM 414 C PHE A 30 5.284 2.839 -7.871 1.00 0.53 C ATOM 415 O PHE A 30 5.470 1.644 -7.676 1.00 0.50 O ATOM 416 CB PHE A 30 6.714 3.845 -6.072 1.00 0.64 C ATOM 417 CG PHE A 30 5.602 4.386 -5.208 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.511 5.743 -4.939 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.649 3.536 -4.666 1.00 0.70 C ATOM 420 CE1 PHE A 30 4.494 6.240 -4.147 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.632 4.029 -3.874 1.00 0.87 C ATOM 422 CZ PHE A 30 3.551 5.387 -3.620 1.00 0.92 C ATOM 0 H PHE A 30 4.980 5.357 -7.880 1.00 0.72 H new ATOM 0 HA PHE A 30 7.279 3.566 -8.128 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.941 2.825 -5.761 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.614 4.437 -5.904 1.00 0.64 H new ATOM 0 HD1 PHE A 30 6.244 6.420 -5.353 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.704 2.476 -4.866 1.00 0.70 H new ATOM 0 HE1 PHE A 30 4.439 7.299 -3.941 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.900 3.356 -3.453 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.750 5.777 -3.010 1.00 0.92 H new ATOM 432 N LEU A 31 4.136 3.329 -8.353 1.00 0.50 N ATOM 433 CA LEU A 31 2.962 2.479 -8.575 1.00 0.45 C ATOM 434 C LEU A 31 3.242 1.342 -9.556 1.00 0.41 C ATOM 435 O LEU A 31 2.563 0.318 -9.532 1.00 0.43 O ATOM 436 CB LEU A 31 1.774 3.300 -9.086 1.00 0.52 C ATOM 437 CG LEU A 31 1.294 4.423 -8.163 1.00 0.54 C ATOM 438 CD1 LEU A 31 -0.015 5.000 -8.669 1.00 0.78 C ATOM 439 CD2 LEU A 31 1.131 3.926 -6.736 1.00 0.43 C ATOM 0 H LEU A 31 3.996 4.310 -8.597 1.00 0.50 H new ATOM 0 HA LEU A 31 2.717 2.043 -7.607 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.045 3.736 -10.047 1.00 0.52 H new ATOM 0 HB3 LEU A 31 0.940 2.623 -9.267 1.00 0.52 H new ATOM 0 HG LEU A 31 2.051 5.207 -8.166 1.00 0.54 H new ATOM 0 HD11 LEU A 31 -0.343 5.797 -8.002 1.00 0.78 H new ATOM 0 HD12 LEU A 31 0.128 5.402 -9.672 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.772 4.216 -8.697 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.789 4.744 -6.102 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.398 3.119 -6.713 1.00 0.43 H new ATOM 0 HD23 LEU A 31 2.088 3.557 -6.368 1.00 0.43 H new ATOM 451 N ASP A 32 4.234 1.532 -10.417 1.00 0.41 N ATOM 452 CA ASP A 32 4.540 0.567 -11.473 1.00 0.43 C ATOM 453 C ASP A 32 5.595 -0.441 -11.017 1.00 0.42 C ATOM 454 O ASP A 32 5.766 -1.503 -11.623 1.00 0.51 O ATOM 455 CB ASP A 32 5.027 1.314 -12.723 1.00 0.56 C ATOM 456 CG ASP A 32 5.345 0.395 -13.888 1.00 1.39 C ATOM 457 OD1 ASP A 32 4.408 -0.193 -14.463 1.00 1.73 O ATOM 458 OD2 ASP A 32 6.533 0.288 -14.264 1.00 2.29 O ATOM 0 H ASP A 32 4.845 2.349 -10.407 1.00 0.41 H new ATOM 0 HA ASP A 32 3.631 0.013 -11.708 1.00 0.43 H new ATOM 0 HB2 ASP A 32 4.263 2.028 -13.031 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.918 1.889 -12.470 1.00 0.56 H new ATOM 463 N LEU A 33 6.290 -0.115 -9.932 1.00 0.43 N ATOM 464 CA LEU A 33 7.365 -0.959 -9.424 1.00 0.48 C ATOM 465 C LEU A 33 6.824 -2.003 -8.452 1.00 0.42 C ATOM 466 O LEU A 33 6.020 -1.688 -7.581 1.00 0.46 O ATOM 467 CB LEU A 33 8.453 -0.115 -8.739 1.00 0.56 C ATOM 468 CG LEU A 33 9.345 0.725 -9.670 1.00 0.68 C ATOM 469 CD1 LEU A 33 9.931 -0.136 -10.778 1.00 1.23 C ATOM 470 CD2 LEU A 33 8.584 1.908 -10.253 1.00 1.01 C ATOM 0 H LEU A 33 6.127 0.731 -9.386 1.00 0.43 H new ATOM 0 HA LEU A 33 7.811 -1.473 -10.275 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.970 0.556 -8.029 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.093 -0.783 -8.162 1.00 0.56 H new ATOM 0 HG LEU A 33 10.165 1.121 -9.071 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.558 0.479 -11.424 1.00 1.23 H new ATOM 0 HD12 LEU A 33 10.532 -0.933 -10.340 1.00 1.23 H new ATOM 0 HD13 LEU A 33 9.123 -0.572 -11.365 1.00 1.23 H new ATOM 0 HD21 LEU A 33 9.244 2.479 -10.906 1.00 1.01 H new ATOM 0 HD22 LEU A 33 7.732 1.545 -10.827 1.00 1.01 H new ATOM 0 HD23 LEU A 33 8.231 2.548 -9.444 1.00 1.01 H new ATOM 482 N ARG A 34 7.267 -3.241 -8.607 1.00 0.40 N ATOM 483 CA ARG A 34 6.809 -4.334 -7.755 1.00 0.39 C ATOM 484 C ARG A 34 7.383 -4.198 -6.348 1.00 0.36 C ATOM 485 O ARG A 34 8.530 -3.775 -6.178 1.00 0.42 O ATOM 486 CB ARG A 34 7.221 -5.680 -8.355 1.00 0.50 C ATOM 487 CG ARG A 34 6.767 -5.868 -9.792 1.00 0.66 C ATOM 488 CD ARG A 34 7.213 -7.208 -10.353 1.00 0.80 C ATOM 489 NE ARG A 34 6.441 -8.323 -9.807 1.00 1.41 N ATOM 490 CZ ARG A 34 6.488 -9.557 -10.296 1.00 1.84 C ATOM 491 NH1 ARG A 34 7.306 -9.859 -11.294 1.00 1.72 N ATOM 492 NH2 ARG A 34 5.715 -10.504 -9.778 1.00 2.88 N ATOM 0 H ARG A 34 7.946 -3.517 -9.317 1.00 0.40 H new ATOM 0 HA ARG A 34 5.722 -4.287 -7.694 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.306 -5.772 -8.310 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.808 -6.483 -7.744 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.681 -5.796 -9.842 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.169 -5.064 -10.408 1.00 0.66 H new ATOM 0 HD2 ARG A 34 7.113 -7.197 -11.438 1.00 0.80 H new ATOM 0 HD3 ARG A 34 8.270 -7.358 -10.132 1.00 0.80 H new ATOM 0 HE ARG A 34 5.834 -8.144 -9.007 1.00 1.41 H new ATOM 0 HH11 ARG A 34 7.908 -9.140 -11.695 1.00 1.72 H new ATOM 0 HH12 ARG A 34 7.333 -10.810 -11.661 1.00 1.72 H new ATOM 0 HH21 ARG A 34 5.086 -10.283 -9.006 1.00 2.88 H new ATOM 0 HH22 ARG A 34 5.750 -11.452 -10.152 1.00 2.88 H new ATOM 506 N PHE A 35 6.580 -4.557 -5.345 1.00 0.36 N ATOM 507 CA PHE A 35 6.996 -4.467 -3.945 1.00 0.39 C ATOM 508 C PHE A 35 8.318 -5.204 -3.710 1.00 0.46 C ATOM 509 O PHE A 35 9.185 -4.721 -2.974 1.00 0.49 O ATOM 510 CB PHE A 35 5.915 -5.038 -3.021 1.00 0.45 C ATOM 511 CG PHE A 35 4.595 -4.323 -3.106 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.485 -2.998 -2.716 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.467 -4.971 -3.589 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.277 -2.332 -2.803 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.256 -4.309 -3.681 1.00 0.59 C ATOM 516 CZ PHE A 35 2.144 -3.016 -3.241 1.00 0.59 C ATOM 0 H PHE A 35 5.634 -4.914 -5.478 1.00 0.36 H new ATOM 0 HA PHE A 35 7.142 -3.412 -3.714 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.763 -6.090 -3.264 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.273 -4.997 -1.992 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.354 -2.479 -2.339 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.535 -6.004 -3.897 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.211 -1.288 -2.533 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.397 -4.812 -4.100 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.180 -2.528 -3.234 1.00 0.59 H new ATOM 526 N GLU A 36 8.462 -6.357 -4.362 1.00 0.59 N ATOM 527 CA GLU A 36 9.650 -7.201 -4.223 1.00 0.76 C ATOM 528 C GLU A 36 10.930 -6.430 -4.568 1.00 0.71 C ATOM 529 O GLU A 36 11.988 -6.667 -3.986 1.00 0.80 O ATOM 530 CB GLU A 36 9.532 -8.420 -5.147 1.00 1.00 C ATOM 531 CG GLU A 36 8.193 -9.145 -5.062 1.00 1.26 C ATOM 532 CD GLU A 36 7.982 -9.884 -3.753 1.00 1.89 C ATOM 533 OE1 GLU A 36 7.685 -9.230 -2.737 1.00 2.28 O ATOM 534 OE2 GLU A 36 8.088 -11.133 -3.751 1.00 2.60 O ATOM 0 H GLU A 36 7.761 -6.733 -5.000 1.00 0.59 H new ATOM 0 HA GLU A 36 9.711 -7.522 -3.183 1.00 0.76 H new ATOM 0 HB2 GLU A 36 9.693 -8.098 -6.176 1.00 1.00 H new ATOM 0 HB3 GLU A 36 10.329 -9.123 -4.905 1.00 1.00 H new ATOM 0 HG2 GLU A 36 7.389 -8.421 -5.194 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.121 -9.855 -5.886 1.00 1.26 H new ATOM 541 N ASP A 37 10.820 -5.503 -5.512 1.00 0.65 N ATOM 542 CA ASP A 37 11.984 -4.781 -6.016 1.00 0.74 C ATOM 543 C ASP A 37 12.306 -3.550 -5.183 1.00 0.66 C ATOM 544 O ASP A 37 13.475 -3.208 -5.009 1.00 0.75 O ATOM 545 CB ASP A 37 11.768 -4.346 -7.465 1.00 0.86 C ATOM 546 CG ASP A 37 12.152 -5.415 -8.461 1.00 1.28 C ATOM 547 OD1 ASP A 37 11.372 -6.372 -8.636 1.00 2.03 O ATOM 548 OD2 ASP A 37 13.238 -5.315 -9.063 1.00 1.38 O ATOM 0 H ASP A 37 9.937 -5.233 -5.945 1.00 0.65 H new ATOM 0 HA ASP A 37 12.824 -5.473 -5.952 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.720 -4.082 -7.608 1.00 0.86 H new ATOM 0 HB3 ASP A 37 12.352 -3.447 -7.661 1.00 0.86 H new ATOM 553 N ILE A 38 11.279 -2.891 -4.666 1.00 0.54 N ATOM 554 CA ILE A 38 11.463 -1.614 -3.973 1.00 0.54 C ATOM 555 C ILE A 38 11.777 -1.789 -2.486 1.00 0.50 C ATOM 556 O ILE A 38 11.551 -0.888 -1.683 1.00 0.55 O ATOM 557 CB ILE A 38 10.236 -0.694 -4.146 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.939 -1.456 -3.849 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.215 -0.114 -5.552 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.698 -0.591 -3.910 1.00 0.57 C ATOM 0 H ILE A 38 10.312 -3.213 -4.710 1.00 0.54 H new ATOM 0 HA ILE A 38 12.328 -1.142 -4.440 1.00 0.54 H new ATOM 0 HB ILE A 38 10.311 0.127 -3.433 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.837 -2.274 -4.563 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.010 -1.905 -2.858 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.346 0.534 -5.665 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.123 0.464 -5.721 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.161 -0.924 -6.279 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.820 -1.198 -3.689 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.778 0.212 -3.177 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.602 -0.163 -4.908 1.00 0.57 H new ATOM 572 N GLY A 39 12.325 -2.946 -2.145 1.00 0.53 N ATOM 573 CA GLY A 39 12.859 -3.170 -0.814 1.00 0.58 C ATOM 574 C GLY A 39 11.806 -3.219 0.279 1.00 0.51 C ATOM 575 O GLY A 39 12.049 -2.760 1.395 1.00 0.62 O ATOM 0 H GLY A 39 12.411 -3.744 -2.774 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.414 -4.108 -0.811 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.571 -2.378 -0.582 1.00 0.58 H new ATOM 579 N TYR A 40 10.642 -3.772 -0.024 1.00 0.47 N ATOM 580 CA TYR A 40 9.619 -3.963 0.996 1.00 0.47 C ATOM 581 C TYR A 40 9.415 -5.438 1.287 1.00 0.55 C ATOM 582 O TYR A 40 8.896 -6.188 0.459 1.00 0.71 O ATOM 583 CB TYR A 40 8.304 -3.291 0.600 1.00 0.47 C ATOM 584 CG TYR A 40 8.343 -1.790 0.771 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.247 -1.221 2.034 1.00 0.49 C ATOM 586 CD2 TYR A 40 8.495 -0.945 -0.318 1.00 0.48 C ATOM 587 CE1 TYR A 40 8.298 0.150 2.209 1.00 0.53 C ATOM 588 CE2 TYR A 40 8.553 0.427 -0.155 1.00 0.52 C ATOM 589 CZ TYR A 40 8.453 0.971 1.111 1.00 0.53 C ATOM 590 OH TYR A 40 8.517 2.337 1.280 1.00 0.61 O ATOM 0 H TYR A 40 10.382 -4.094 -0.956 1.00 0.47 H new ATOM 0 HA TYR A 40 9.968 -3.484 1.911 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.078 -3.529 -0.439 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.495 -3.701 1.204 1.00 0.47 H new ATOM 0 HD1 TYR A 40 8.130 -1.861 2.896 1.00 0.49 H new ATOM 0 HD2 TYR A 40 8.569 -1.365 -1.310 1.00 0.48 H new ATOM 0 HE1 TYR A 40 8.217 0.575 3.199 1.00 0.53 H new ATOM 0 HE2 TYR A 40 8.676 1.070 -1.014 1.00 0.52 H new ATOM 0 HH TYR A 40 9.007 2.737 0.531 1.00 0.61 H new ATOM 600 N ASP A 41 9.840 -5.840 2.477 1.00 0.58 N ATOM 601 CA ASP A 41 9.783 -7.234 2.892 1.00 0.71 C ATOM 602 C ASP A 41 8.361 -7.597 3.316 1.00 0.66 C ATOM 603 O ASP A 41 7.518 -6.709 3.475 1.00 0.93 O ATOM 604 CB ASP A 41 10.764 -7.473 4.043 1.00 0.89 C ATOM 605 CG ASP A 41 11.365 -8.861 4.001 1.00 1.40 C ATOM 606 OD1 ASP A 41 10.604 -9.844 4.040 1.00 1.82 O ATOM 607 OD2 ASP A 41 12.607 -8.970 3.920 1.00 1.93 O ATOM 0 H ASP A 41 10.232 -5.212 3.179 1.00 0.58 H new ATOM 0 HA ASP A 41 10.066 -7.870 2.053 1.00 0.71 H new ATOM 0 HB2 ASP A 41 11.562 -6.732 3.998 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.249 -7.330 4.993 1.00 0.89 H new ATOM 612 N SER A 42 8.104 -8.891 3.512 1.00 0.63 N ATOM 613 CA SER A 42 6.763 -9.386 3.816 1.00 0.63 C ATOM 614 C SER A 42 6.117 -8.647 4.991 1.00 0.54 C ATOM 615 O SER A 42 4.998 -8.135 4.875 1.00 0.50 O ATOM 616 CB SER A 42 6.799 -10.894 4.091 1.00 0.77 C ATOM 617 OG SER A 42 8.168 -11.348 4.335 1.00 0.91 O ATOM 0 H SER A 42 8.815 -9.620 3.465 1.00 0.63 H new ATOM 0 HA SER A 42 6.146 -9.193 2.938 1.00 0.63 H new ATOM 0 HB2 SER A 42 6.176 -11.125 4.955 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.379 -11.433 3.242 1.00 0.77 H new ATOM 622 N LEU A 43 6.821 -8.594 6.116 1.00 0.57 N ATOM 623 CA LEU A 43 6.298 -7.951 7.313 1.00 0.57 C ATOM 624 C LEU A 43 6.045 -6.472 7.058 1.00 0.48 C ATOM 625 O LEU A 43 4.986 -5.956 7.392 1.00 0.49 O ATOM 626 CB LEU A 43 7.269 -8.125 8.481 1.00 0.68 C ATOM 627 CG LEU A 43 6.756 -7.632 9.834 1.00 0.78 C ATOM 628 CD1 LEU A 43 5.550 -8.446 10.274 1.00 0.90 C ATOM 629 CD2 LEU A 43 7.858 -7.707 10.876 1.00 1.32 C ATOM 0 H LEU A 43 7.755 -8.989 6.223 1.00 0.57 H new ATOM 0 HA LEU A 43 5.352 -8.427 7.571 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.520 -9.182 8.569 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.193 -7.596 8.246 1.00 0.68 H new ATOM 0 HG LEU A 43 6.449 -6.591 9.730 1.00 0.78 H new ATOM 0 HD11 LEU A 43 5.198 -8.082 11.239 1.00 0.90 H new ATOM 0 HD12 LEU A 43 4.754 -8.346 9.536 1.00 0.90 H new ATOM 0 HD13 LEU A 43 5.832 -9.495 10.363 1.00 0.90 H new ATOM 0 HD21 LEU A 43 7.478 -7.353 11.834 1.00 1.32 H new ATOM 0 HD22 LEU A 43 8.193 -8.739 10.978 1.00 1.32 H new ATOM 0 HD23 LEU A 43 8.696 -7.083 10.565 1.00 1.32 H new ATOM 641 N ALA A 44 7.011 -5.807 6.436 1.00 0.44 N ATOM 642 CA ALA A 44 6.902 -4.378 6.156 1.00 0.41 C ATOM 643 C ALA A 44 5.716 -4.087 5.239 1.00 0.34 C ATOM 644 O ALA A 44 5.038 -3.068 5.386 1.00 0.36 O ATOM 645 CB ALA A 44 8.193 -3.864 5.530 1.00 0.47 C ATOM 0 H ALA A 44 7.880 -6.234 6.115 1.00 0.44 H new ATOM 0 HA ALA A 44 6.735 -3.859 7.100 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.099 -2.797 5.326 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.022 -4.030 6.218 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.382 -4.396 4.598 1.00 0.47 H new ATOM 651 N LEU A 45 5.468 -4.989 4.299 1.00 0.35 N ATOM 652 CA LEU A 45 4.369 -4.835 3.358 1.00 0.35 C ATOM 653 C LEU A 45 3.018 -4.946 4.072 1.00 0.34 C ATOM 654 O LEU A 45 2.127 -4.123 3.859 1.00 0.36 O ATOM 655 CB LEU A 45 4.484 -5.879 2.242 1.00 0.43 C ATOM 656 CG LEU A 45 3.401 -5.823 1.160 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.348 -4.445 0.514 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.656 -6.887 0.108 1.00 0.74 C ATOM 0 H LEU A 45 6.017 -5.839 4.168 1.00 0.35 H new ATOM 0 HA LEU A 45 4.428 -3.842 2.914 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.456 -5.764 1.762 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.467 -6.870 2.695 1.00 0.43 H new ATOM 0 HG LEU A 45 2.437 -6.015 1.631 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.571 -4.431 -0.251 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.123 -3.696 1.273 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.311 -4.220 0.057 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.880 -6.837 -0.656 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.629 -6.717 -0.352 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.642 -7.872 0.576 1.00 0.74 H new ATOM 670 N MET A 46 2.880 -5.939 4.942 1.00 0.36 N ATOM 671 CA MET A 46 1.622 -6.150 5.653 1.00 0.40 C ATOM 672 C MET A 46 1.445 -5.115 6.766 1.00 0.37 C ATOM 673 O MET A 46 0.323 -4.772 7.129 1.00 0.41 O ATOM 674 CB MET A 46 1.534 -7.588 6.197 1.00 0.49 C ATOM 675 CG MET A 46 2.524 -7.921 7.302 1.00 0.52 C ATOM 676 SD MET A 46 1.931 -7.471 8.944 1.00 1.21 S ATOM 677 CE MET A 46 0.430 -8.446 9.043 1.00 1.26 C ATOM 0 H MET A 46 3.616 -6.607 5.172 1.00 0.36 H new ATOM 0 HA MET A 46 0.803 -6.016 4.947 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.525 -7.757 6.572 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.688 -8.282 5.371 1.00 0.49 H new ATOM 0 HG2 MET A 46 2.738 -8.990 7.280 1.00 0.52 H new ATOM 0 HG3 MET A 46 3.464 -7.404 7.107 1.00 0.52 H new ATOM 0 HE1 MET A 46 0.341 -8.876 10.040 1.00 1.26 H new ATOM 0 HE2 MET A 46 -0.432 -7.809 8.844 1.00 1.26 H new ATOM 0 HE3 MET A 46 0.467 -9.247 8.304 1.00 1.26 H new ATOM 687 N GLU A 47 2.559 -4.613 7.297 1.00 0.37 N ATOM 688 CA GLU A 47 2.522 -3.511 8.256 1.00 0.42 C ATOM 689 C GLU A 47 1.921 -2.271 7.604 1.00 0.41 C ATOM 690 O GLU A 47 1.108 -1.563 8.206 1.00 0.47 O ATOM 691 CB GLU A 47 3.934 -3.204 8.770 1.00 0.48 C ATOM 692 CG GLU A 47 4.406 -4.136 9.877 1.00 0.62 C ATOM 693 CD GLU A 47 3.692 -3.891 11.191 1.00 1.21 C ATOM 694 OE1 GLU A 47 2.572 -4.406 11.373 1.00 2.20 O ATOM 695 OE2 GLU A 47 4.253 -3.180 12.050 1.00 1.18 O ATOM 0 H GLU A 47 3.496 -4.951 7.080 1.00 0.37 H new ATOM 0 HA GLU A 47 1.899 -3.804 9.101 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.634 -3.263 7.936 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.961 -2.178 9.137 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.247 -5.169 9.569 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.479 -4.008 10.022 1.00 0.62 H new ATOM 702 N THR A 48 2.314 -2.030 6.360 1.00 0.37 N ATOM 703 CA THR A 48 1.779 -0.919 5.590 1.00 0.42 C ATOM 704 C THR A 48 0.269 -1.067 5.425 1.00 0.40 C ATOM 705 O THR A 48 -0.479 -0.096 5.546 1.00 0.43 O ATOM 706 CB THR A 48 2.447 -0.830 4.205 1.00 0.45 C ATOM 707 OG1 THR A 48 3.875 -0.772 4.348 1.00 0.47 O ATOM 708 CG2 THR A 48 1.968 0.401 3.461 1.00 0.54 C ATOM 0 H THR A 48 3.004 -2.593 5.863 1.00 0.37 H new ATOM 0 HA THR A 48 1.994 -0.000 6.136 1.00 0.42 H new ATOM 0 HB THR A 48 2.173 -1.719 3.637 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.208 -1.639 4.660 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.451 0.447 2.485 1.00 0.54 H new ATOM 0 HG22 THR A 48 0.887 0.349 3.329 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.221 1.293 4.033 1.00 0.54 H new ATOM 716 N ALA A 49 -0.170 -2.293 5.156 1.00 0.40 N ATOM 717 CA ALA A 49 -1.590 -2.596 5.031 1.00 0.39 C ATOM 718 C ALA A 49 -2.350 -2.194 6.297 1.00 0.34 C ATOM 719 O ALA A 49 -3.437 -1.619 6.222 1.00 0.33 O ATOM 720 CB ALA A 49 -1.786 -4.074 4.735 1.00 0.46 C ATOM 0 H ALA A 49 0.443 -3.097 5.020 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.993 -2.016 4.201 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.851 -4.289 4.644 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.283 -4.328 3.802 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.365 -4.667 5.547 1.00 0.46 H new ATOM 726 N ALA A 50 -1.758 -2.486 7.455 1.00 0.37 N ATOM 727 CA ALA A 50 -2.372 -2.156 8.737 1.00 0.40 C ATOM 728 C ALA A 50 -2.518 -0.650 8.882 1.00 0.39 C ATOM 729 O ALA A 50 -3.519 -0.156 9.403 1.00 0.44 O ATOM 730 CB ALA A 50 -1.557 -2.728 9.888 1.00 0.49 C ATOM 0 H ALA A 50 -0.853 -2.951 7.530 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.365 -2.605 8.768 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.033 -2.470 10.834 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.504 -3.812 9.792 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.550 -2.312 9.863 1.00 0.49 H new ATOM 736 N ARG A 51 -1.513 0.074 8.406 1.00 0.37 N ATOM 737 CA ARG A 51 -1.536 1.531 8.432 1.00 0.44 C ATOM 738 C ARG A 51 -2.704 2.063 7.603 1.00 0.40 C ATOM 739 O ARG A 51 -3.333 3.060 7.960 1.00 0.52 O ATOM 740 CB ARG A 51 -0.222 2.093 7.889 1.00 0.52 C ATOM 741 CG ARG A 51 1.016 1.651 8.657 1.00 0.68 C ATOM 742 CD ARG A 51 0.973 2.086 10.115 1.00 0.95 C ATOM 743 NE ARG A 51 1.010 3.546 10.269 1.00 1.47 N ATOM 744 CZ ARG A 51 0.994 4.180 11.445 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.943 3.493 12.582 1.00 1.94 N ATOM 746 NH2 ARG A 51 1.041 5.502 11.480 1.00 2.86 N ATOM 0 H ARG A 51 -0.669 -0.326 7.996 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.661 1.852 9.466 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.115 1.792 6.847 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.273 3.182 7.902 1.00 0.52 H new ATOM 0 HG2 ARG A 51 1.105 0.566 8.606 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.904 2.067 8.181 1.00 0.68 H new ATOM 0 HD2 ARG A 51 0.067 1.698 10.580 1.00 0.95 H new ATOM 0 HD3 ARG A 51 1.817 1.647 10.647 1.00 0.95 H new ATOM 0 HE ARG A 51 1.051 4.113 9.422 1.00 1.47 H new ATOM 0 HH11 ARG A 51 0.916 2.474 12.561 1.00 1.94 H new ATOM 0 HH12 ARG A 51 0.931 3.985 13.475 1.00 1.94 H new ATOM 0 HH21 ARG A 51 1.089 6.034 10.611 1.00 2.86 H new ATOM 0 HH22 ARG A 51 1.029 5.989 12.376 1.00 2.86 H new ATOM 760 N LEU A 52 -2.992 1.383 6.501 1.00 0.32 N ATOM 761 CA LEU A 52 -4.080 1.777 5.615 1.00 0.31 C ATOM 762 C LEU A 52 -5.434 1.481 6.254 1.00 0.27 C ATOM 763 O LEU A 52 -6.303 2.355 6.328 1.00 0.30 O ATOM 764 CB LEU A 52 -3.967 1.045 4.276 1.00 0.35 C ATOM 765 CG LEU A 52 -2.668 1.295 3.505 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.607 0.424 2.260 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.553 2.763 3.133 1.00 0.56 C ATOM 0 H LEU A 52 -2.484 0.552 6.198 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.004 2.851 5.442 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.064 -0.026 4.456 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.807 1.340 3.647 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.828 1.031 4.147 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.676 0.617 1.726 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.649 -0.626 2.548 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.452 0.656 1.612 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.625 2.928 2.585 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.399 3.047 2.507 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.552 3.369 4.039 1.00 0.56 H new ATOM 779 N GLU A 53 -5.606 0.248 6.727 1.00 0.25 N ATOM 780 CA GLU A 53 -6.856 -0.156 7.361 1.00 0.26 C ATOM 781 C GLU A 53 -7.159 0.731 8.563 1.00 0.30 C ATOM 782 O GLU A 53 -8.293 1.160 8.756 1.00 0.36 O ATOM 783 CB GLU A 53 -6.800 -1.619 7.804 1.00 0.27 C ATOM 784 CG GLU A 53 -6.491 -2.594 6.678 1.00 0.32 C ATOM 785 CD GLU A 53 -6.611 -4.040 7.115 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.767 -4.494 7.917 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.536 -4.734 6.647 1.00 0.48 O ATOM 0 H GLU A 53 -4.898 -0.485 6.683 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.651 -0.044 6.624 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -6.042 -1.724 8.580 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.756 -1.889 8.253 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.171 -2.411 5.846 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.481 -2.411 6.310 1.00 0.32 H new ATOM 794 N SER A 54 -6.133 1.015 9.354 1.00 0.36 N ATOM 795 CA SER A 54 -6.279 1.839 10.552 1.00 0.46 C ATOM 796 C SER A 54 -6.667 3.284 10.213 1.00 0.43 C ATOM 797 O SER A 54 -7.206 4.002 11.057 1.00 0.53 O ATOM 798 CB SER A 54 -4.982 1.811 11.368 1.00 0.59 C ATOM 799 OG SER A 54 -5.122 2.525 12.586 1.00 1.42 O ATOM 0 H SER A 54 -5.182 0.685 9.188 1.00 0.36 H new ATOM 0 HA SER A 54 -7.090 1.418 11.147 1.00 0.46 H new ATOM 0 HB2 SER A 54 -4.706 0.778 11.580 1.00 0.59 H new ATOM 0 HB3 SER A 54 -4.172 2.244 10.781 1.00 0.59 H new ATOM 0 HG SER A 54 -4.280 2.488 13.085 1.00 1.42 H new ATOM 805 N ARG A 55 -6.392 3.706 8.982 1.00 0.37 N ATOM 806 CA ARG A 55 -6.655 5.080 8.571 1.00 0.40 C ATOM 807 C ARG A 55 -8.048 5.223 7.970 1.00 0.40 C ATOM 808 O ARG A 55 -8.795 6.130 8.328 1.00 0.47 O ATOM 809 CB ARG A 55 -5.599 5.539 7.561 1.00 0.47 C ATOM 810 CG ARG A 55 -5.740 6.996 7.127 1.00 0.66 C ATOM 811 CD ARG A 55 -4.563 7.438 6.265 1.00 0.87 C ATOM 812 NE ARG A 55 -3.294 7.214 6.953 1.00 1.14 N ATOM 813 CZ ARG A 55 -2.102 7.611 6.503 1.00 1.64 C ATOM 814 NH1 ARG A 55 -1.999 8.314 5.383 1.00 1.89 N ATOM 815 NH2 ARG A 55 -1.011 7.318 7.199 1.00 2.42 N ATOM 0 H ARG A 55 -5.988 3.117 8.254 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.604 5.711 9.458 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.610 5.395 7.996 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.655 4.902 6.679 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.668 7.123 6.570 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.807 7.634 8.008 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -4.572 6.889 5.323 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.665 8.495 6.019 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.321 6.717 7.843 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.837 8.557 4.855 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -1.082 8.611 5.050 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -1.088 6.793 8.070 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -0.096 7.617 6.863 1.00 2.42 H new ATOM 829 N TYR A 56 -8.398 4.320 7.062 1.00 0.38 N ATOM 830 CA TYR A 56 -9.653 4.434 6.328 1.00 0.46 C ATOM 831 C TYR A 56 -10.764 3.615 6.978 1.00 0.51 C ATOM 832 O TYR A 56 -11.949 3.867 6.748 1.00 0.71 O ATOM 833 CB TYR A 56 -9.446 3.987 4.881 1.00 0.52 C ATOM 834 CG TYR A 56 -8.339 4.741 4.181 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.553 6.024 3.695 1.00 0.70 C ATOM 836 CD2 TYR A 56 -7.081 4.178 4.012 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.544 6.723 3.063 1.00 0.85 C ATOM 838 CE2 TYR A 56 -6.067 4.872 3.382 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.304 6.143 2.909 1.00 0.91 C ATOM 840 OH TYR A 56 -5.300 6.836 2.279 1.00 1.08 O ATOM 0 H TYR A 56 -7.835 3.506 6.817 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.961 5.479 6.348 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -9.218 2.921 4.865 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.376 4.122 4.328 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.524 6.482 3.813 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.892 3.180 4.380 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -7.726 7.720 2.691 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.093 4.420 3.261 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.544 7.783 2.219 1.00 1.08 H new ATOM 850 N GLY A 57 -10.381 2.643 7.793 1.00 0.41 N ATOM 851 CA GLY A 57 -11.358 1.774 8.420 1.00 0.46 C ATOM 852 C GLY A 57 -11.788 0.650 7.496 1.00 0.43 C ATOM 853 O GLY A 57 -12.931 0.192 7.546 1.00 0.58 O ATOM 0 H GLY A 57 -9.410 2.440 8.032 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -10.937 1.353 9.333 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.230 2.359 8.711 1.00 0.46 H new ATOM 857 N VAL A 58 -10.864 0.198 6.660 1.00 0.32 N ATOM 858 CA VAL A 58 -11.163 -0.825 5.664 1.00 0.33 C ATOM 859 C VAL A 58 -10.664 -2.197 6.110 1.00 0.33 C ATOM 860 O VAL A 58 -10.190 -2.361 7.237 1.00 0.34 O ATOM 861 CB VAL A 58 -10.538 -0.479 4.290 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.134 0.807 3.741 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.025 -0.361 4.397 1.00 0.30 C ATOM 0 H VAL A 58 -9.898 0.524 6.651 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.248 -0.855 5.562 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.768 -1.290 3.599 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.683 1.034 2.775 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.210 0.686 3.619 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.937 1.624 4.435 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.609 -0.118 3.419 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.771 0.427 5.106 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.610 -1.308 4.742 1.00 0.30 H new ATOM 873 N SER A 59 -10.774 -3.165 5.215 1.00 0.39 N ATOM 874 CA SER A 59 -10.287 -4.511 5.459 1.00 0.49 C ATOM 875 C SER A 59 -9.829 -5.142 4.151 1.00 0.48 C ATOM 876 O SER A 59 -10.581 -5.185 3.178 1.00 0.51 O ATOM 877 CB SER A 59 -11.385 -5.354 6.113 1.00 0.65 C ATOM 878 OG SER A 59 -12.634 -5.172 5.456 1.00 1.62 O ATOM 0 H SER A 59 -11.204 -3.039 4.299 1.00 0.39 H new ATOM 0 HA SER A 59 -9.436 -4.468 6.138 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.105 -6.407 6.083 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.480 -5.080 7.164 1.00 0.65 H new ATOM 0 HG SER A 59 -12.487 -5.087 4.491 1.00 1.62 H new ATOM 884 N ILE A 60 -8.592 -5.604 4.117 1.00 0.46 N ATOM 885 CA ILE A 60 -8.035 -6.186 2.905 1.00 0.46 C ATOM 886 C ILE A 60 -8.204 -7.705 2.908 1.00 0.54 C ATOM 887 O ILE A 60 -7.722 -8.385 3.813 1.00 0.60 O ATOM 888 CB ILE A 60 -6.543 -5.822 2.746 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.364 -4.303 2.832 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.997 -6.352 1.426 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.925 -3.845 2.717 1.00 0.45 C ATOM 0 H ILE A 60 -7.953 -5.588 4.912 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.582 -5.772 2.058 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.981 -6.289 3.555 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.948 -3.833 2.041 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.771 -3.953 3.780 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.944 -6.085 1.334 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -6.099 -7.437 1.399 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.556 -5.914 0.599 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.882 -2.758 2.787 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.338 -4.284 3.524 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.518 -4.163 1.757 1.00 0.45 H new ATOM 903 N PRO A 61 -8.909 -8.249 1.895 1.00 0.59 N ATOM 904 CA PRO A 61 -9.188 -9.692 1.790 1.00 0.69 C ATOM 905 C PRO A 61 -7.921 -10.547 1.747 1.00 0.62 C ATOM 906 O PRO A 61 -6.950 -10.200 1.073 1.00 0.57 O ATOM 907 CB PRO A 61 -9.945 -9.816 0.465 1.00 0.81 C ATOM 908 CG PRO A 61 -10.509 -8.461 0.219 1.00 0.79 C ATOM 909 CD PRO A 61 -9.503 -7.496 0.776 1.00 0.62 C ATOM 0 HA PRO A 61 -9.741 -10.050 2.658 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.280 -10.120 -0.343 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.733 -10.566 0.529 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.668 -8.290 -0.846 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.476 -8.345 0.708 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.755 -7.219 0.033 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.973 -6.573 1.115 1.00 0.62 H new ATOM 917 N ASP A 62 -7.966 -11.684 2.446 1.00 0.76 N ATOM 918 CA ASP A 62 -6.827 -12.603 2.556 1.00 0.82 C ATOM 919 C ASP A 62 -6.337 -13.056 1.189 1.00 0.67 C ATOM 920 O ASP A 62 -5.136 -13.161 0.939 1.00 0.77 O ATOM 921 CB ASP A 62 -7.231 -13.853 3.347 1.00 1.11 C ATOM 922 CG ASP A 62 -7.847 -13.543 4.691 1.00 1.39 C ATOM 923 OD1 ASP A 62 -9.049 -13.214 4.737 1.00 1.99 O ATOM 924 OD2 ASP A 62 -7.118 -13.596 5.706 1.00 1.96 O ATOM 0 H ASP A 62 -8.794 -11.995 2.953 1.00 0.76 H new ATOM 0 HA ASP A 62 -6.029 -12.062 3.065 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -7.940 -14.433 2.757 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -6.351 -14.479 3.495 1.00 1.11 H new ATOM 929 N ASP A 63 -7.283 -13.323 0.309 1.00 0.66 N ATOM 930 CA ASP A 63 -6.992 -13.940 -0.972 1.00 0.71 C ATOM 931 C ASP A 63 -6.456 -12.930 -1.982 1.00 0.58 C ATOM 932 O ASP A 63 -5.439 -13.175 -2.630 1.00 0.62 O ATOM 933 CB ASP A 63 -8.253 -14.623 -1.517 1.00 0.96 C ATOM 934 CG ASP A 63 -9.413 -13.664 -1.728 1.00 1.67 C ATOM 935 OD1 ASP A 63 -9.752 -12.924 -0.785 1.00 2.03 O ATOM 936 OD2 ASP A 63 -9.978 -13.638 -2.844 1.00 2.44 O ATOM 0 H ASP A 63 -8.271 -13.120 0.460 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.212 -14.686 -0.816 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -8.015 -15.108 -2.464 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.560 -15.408 -0.826 1.00 0.96 H new ATOM 941 N VAL A 64 -7.115 -11.787 -2.091 1.00 0.57 N ATOM 942 CA VAL A 64 -6.752 -10.791 -3.095 1.00 0.58 C ATOM 943 C VAL A 64 -5.455 -10.077 -2.721 1.00 0.53 C ATOM 944 O VAL A 64 -4.699 -9.645 -3.591 1.00 0.59 O ATOM 945 CB VAL A 64 -7.876 -9.748 -3.285 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.557 -8.807 -4.435 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.213 -10.434 -3.518 1.00 1.14 C ATOM 0 H VAL A 64 -7.903 -11.523 -1.499 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.605 -11.325 -4.034 1.00 0.58 H new ATOM 0 HB VAL A 64 -7.944 -9.159 -2.370 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.364 -8.083 -4.547 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -6.625 -8.282 -4.228 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.453 -9.380 -5.356 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -9.990 -9.681 -3.649 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.153 -11.053 -4.413 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.455 -11.060 -2.659 1.00 1.14 H new ATOM 957 N ALA A 65 -5.188 -9.989 -1.422 1.00 0.52 N ATOM 958 CA ALA A 65 -4.031 -9.253 -0.911 1.00 0.58 C ATOM 959 C ALA A 65 -2.713 -9.788 -1.460 1.00 0.56 C ATOM 960 O ALA A 65 -1.830 -9.024 -1.840 1.00 0.68 O ATOM 961 CB ALA A 65 -4.011 -9.287 0.610 1.00 0.67 C ATOM 0 H ALA A 65 -5.761 -10.421 -0.697 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.133 -8.223 -1.252 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.145 -8.735 0.975 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.922 -8.829 0.996 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.952 -10.321 0.950 1.00 0.67 H new ATOM 967 N GLY A 66 -2.595 -11.101 -1.515 1.00 0.50 N ATOM 968 CA GLY A 66 -1.347 -11.718 -1.923 1.00 0.56 C ATOM 969 C GLY A 66 -1.288 -12.014 -3.409 1.00 0.58 C ATOM 970 O GLY A 66 -0.384 -12.704 -3.872 1.00 0.77 O ATOM 0 H GLY A 66 -3.341 -11.757 -1.284 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.519 -11.061 -1.656 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.209 -12.646 -1.368 1.00 0.56 H new ATOM 974 N ARG A 67 -2.258 -11.504 -4.153 1.00 0.55 N ATOM 975 CA ARG A 67 -2.316 -11.739 -5.591 1.00 0.63 C ATOM 976 C ARG A 67 -1.919 -10.492 -6.380 1.00 0.58 C ATOM 977 O ARG A 67 -1.926 -10.499 -7.613 1.00 0.78 O ATOM 978 CB ARG A 67 -3.719 -12.202 -5.996 1.00 0.77 C ATOM 979 CG ARG A 67 -4.033 -13.629 -5.570 1.00 0.93 C ATOM 980 CD ARG A 67 -5.475 -14.004 -5.870 1.00 1.10 C ATOM 981 NE ARG A 67 -5.816 -13.794 -7.273 1.00 1.82 N ATOM 982 CZ ARG A 67 -7.053 -13.871 -7.761 1.00 2.63 C ATOM 983 NH1 ARG A 67 -8.059 -14.258 -6.989 1.00 2.86 N ATOM 984 NH2 ARG A 67 -7.266 -13.597 -9.042 1.00 3.63 N ATOM 0 H ARG A 67 -3.015 -10.926 -3.788 1.00 0.55 H new ATOM 0 HA ARG A 67 -1.599 -12.524 -5.830 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.456 -11.530 -5.557 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -3.821 -12.123 -7.078 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -3.364 -14.318 -6.086 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -3.843 -13.740 -4.502 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -5.639 -15.050 -5.610 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -6.141 -13.412 -5.243 1.00 1.10 H new ATOM 0 HE ARG A 67 -5.059 -13.574 -7.921 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -7.889 -14.500 -6.013 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -9.003 -14.314 -7.371 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -6.486 -13.330 -9.643 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -8.210 -13.653 -9.425 1.00 3.63 H new ATOM 998 N VAL A 68 -1.566 -9.427 -5.673 1.00 0.50 N ATOM 999 CA VAL A 68 -1.163 -8.185 -6.324 1.00 0.48 C ATOM 1000 C VAL A 68 0.355 -8.118 -6.484 1.00 0.54 C ATOM 1001 O VAL A 68 1.072 -8.999 -6.002 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.648 -6.941 -5.544 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.162 -6.952 -5.401 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -0.982 -6.858 -4.177 1.00 0.89 C ATOM 0 H VAL A 68 -1.550 -9.396 -4.654 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.632 -8.182 -7.308 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.362 -6.056 -6.113 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.482 -6.068 -4.849 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.621 -6.948 -6.390 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.470 -7.848 -4.861 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.341 -5.974 -3.650 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.226 -7.749 -3.599 1.00 0.89 H new ATOM 0 HG23 VAL A 68 0.099 -6.791 -4.302 1.00 0.89 H new ATOM 1014 N ASP A 69 0.840 -7.074 -7.151 1.00 0.38 N ATOM 1015 CA ASP A 69 2.279 -6.884 -7.340 1.00 0.43 C ATOM 1016 C ASP A 69 2.670 -5.417 -7.257 1.00 0.34 C ATOM 1017 O ASP A 69 3.685 -5.063 -6.651 1.00 0.41 O ATOM 1018 CB ASP A 69 2.738 -7.444 -8.690 1.00 0.65 C ATOM 1019 CG ASP A 69 3.159 -8.894 -8.614 1.00 0.97 C ATOM 1020 OD1 ASP A 69 4.211 -9.175 -8.001 1.00 1.75 O ATOM 1021 OD2 ASP A 69 2.453 -9.756 -9.175 1.00 1.65 O ATOM 0 H ASP A 69 0.260 -6.347 -7.570 1.00 0.38 H new ATOM 0 HA ASP A 69 2.772 -7.427 -6.533 1.00 0.43 H new ATOM 0 HB2 ASP A 69 1.929 -7.344 -9.413 1.00 0.65 H new ATOM 0 HB3 ASP A 69 3.572 -6.848 -9.060 1.00 0.65 H new ATOM 1026 N THR A 70 1.870 -4.568 -7.874 1.00 0.34 N ATOM 1027 CA THR A 70 2.186 -3.157 -7.954 1.00 0.31 C ATOM 1028 C THR A 70 1.323 -2.343 -6.994 1.00 0.28 C ATOM 1029 O THR A 70 0.152 -2.663 -6.767 1.00 0.28 O ATOM 1030 CB THR A 70 1.999 -2.632 -9.391 1.00 0.39 C ATOM 1031 OG1 THR A 70 0.663 -2.886 -9.839 1.00 0.50 O ATOM 1032 CG2 THR A 70 2.996 -3.284 -10.341 1.00 0.44 C ATOM 0 H THR A 70 0.995 -4.833 -8.327 1.00 0.34 H new ATOM 0 HA THR A 70 3.231 -3.041 -7.668 1.00 0.31 H new ATOM 0 HB THR A 70 2.178 -1.557 -9.386 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.554 -2.547 -10.752 1.00 0.50 H new ATOM 0 HG21 THR A 70 2.844 -2.898 -11.349 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.011 -3.058 -10.015 1.00 0.44 H new ATOM 0 HG23 THR A 70 2.847 -4.364 -10.340 1.00 0.44 H new ATOM 1040 N PRO A 71 1.907 -1.288 -6.399 1.00 0.29 N ATOM 1041 CA PRO A 71 1.191 -0.368 -5.506 1.00 0.29 C ATOM 1042 C PRO A 71 -0.078 0.201 -6.136 1.00 0.27 C ATOM 1043 O PRO A 71 -1.045 0.502 -5.433 1.00 0.28 O ATOM 1044 CB PRO A 71 2.206 0.746 -5.258 1.00 0.34 C ATOM 1045 CG PRO A 71 3.531 0.098 -5.446 1.00 0.38 C ATOM 1046 CD PRO A 71 3.332 -0.938 -6.515 1.00 0.35 C ATOM 0 HA PRO A 71 0.852 -0.870 -4.600 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.066 1.572 -5.956 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.105 1.157 -4.254 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.284 0.827 -5.744 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.878 -0.358 -4.519 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.569 -0.544 -7.503 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.972 -1.806 -6.356 1.00 0.35 H new ATOM 1054 N ARG A 72 -0.065 0.356 -7.460 1.00 0.32 N ATOM 1055 CA ARG A 72 -1.226 0.860 -8.188 1.00 0.37 C ATOM 1056 C ARG A 72 -2.449 -0.012 -7.899 1.00 0.35 C ATOM 1057 O ARG A 72 -3.528 0.496 -7.601 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.936 0.908 -9.698 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.812 1.895 -10.468 1.00 0.83 C ATOM 1060 CD ARG A 72 -3.242 1.395 -10.609 1.00 1.15 C ATOM 1061 NE ARG A 72 -4.179 2.476 -10.921 1.00 1.76 N ATOM 1062 CZ ARG A 72 -5.474 2.296 -11.189 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -5.968 1.074 -11.345 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -6.268 3.342 -11.336 1.00 3.56 N ATOM 0 H ARG A 72 0.739 0.139 -8.050 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.437 1.875 -7.851 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.111 1.173 -9.848 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -1.076 -0.089 -10.116 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -1.813 2.857 -9.955 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -1.387 2.062 -11.458 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -3.285 0.641 -11.395 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -3.548 0.908 -9.683 1.00 1.15 H new ATOM 0 HE ARG A 72 -3.818 3.430 -10.934 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -5.356 0.262 -11.260 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -6.959 0.947 -11.550 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -5.891 4.285 -11.245 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -7.258 3.206 -11.541 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.258 -1.327 -7.968 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.339 -2.282 -7.749 1.00 0.39 C ATOM 1080 C GLU A 73 -3.858 -2.198 -6.321 1.00 0.36 C ATOM 1081 O GLU A 73 -5.062 -2.234 -6.088 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.846 -3.701 -8.037 1.00 0.47 C ATOM 1083 CG GLU A 73 -2.276 -3.875 -9.432 1.00 0.56 C ATOM 1084 CD GLU A 73 -1.544 -5.186 -9.592 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -0.451 -5.335 -9.013 1.00 2.43 O ATOM 1086 OE2 GLU A 73 -2.064 -6.073 -10.307 1.00 1.91 O ATOM 0 H GLU A 73 -1.357 -1.757 -8.176 1.00 0.36 H new ATOM 0 HA GLU A 73 -4.156 -2.036 -8.428 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -2.082 -3.967 -7.306 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.673 -4.398 -7.902 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -3.084 -3.821 -10.162 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.595 -3.052 -9.649 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.938 -2.075 -5.371 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.295 -1.976 -3.958 1.00 0.34 C ATOM 1095 C LEU A 74 -4.155 -0.730 -3.731 1.00 0.33 C ATOM 1096 O LEU A 74 -5.209 -0.787 -3.092 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.015 -1.917 -3.101 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.116 -2.505 -1.684 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -3.078 -1.709 -0.824 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -2.541 -3.964 -1.747 1.00 0.98 C ATOM 0 H LEU A 74 -1.935 -2.041 -5.553 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.869 -2.854 -3.663 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.222 -2.442 -3.634 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.707 -0.875 -3.018 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.130 -2.445 -1.224 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -3.127 -2.150 0.171 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.730 -0.679 -0.747 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -4.069 -1.725 -1.277 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -2.608 -4.367 -0.737 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.514 -4.039 -2.233 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -1.806 -4.533 -2.316 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.691 0.388 -4.273 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.401 1.657 -4.185 1.00 0.33 C ATOM 1114 C LEU A 75 -5.797 1.535 -4.802 1.00 0.35 C ATOM 1115 O LEU A 75 -6.795 1.933 -4.194 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.572 2.745 -4.887 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.117 4.178 -4.824 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -2.971 5.175 -4.941 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -5.125 4.425 -5.940 1.00 0.91 C ATOM 0 H LEU A 75 -2.811 0.441 -4.786 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.532 1.933 -3.139 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.572 2.743 -4.454 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.466 2.468 -5.936 1.00 0.35 H new ATOM 0 HG LEU A 75 -4.620 4.310 -3.866 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.366 6.190 -4.895 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -2.270 5.021 -4.121 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -2.456 5.028 -5.891 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -5.497 5.447 -5.874 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -4.642 4.276 -6.906 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -5.958 3.729 -5.839 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.849 0.964 -6.002 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.099 0.818 -6.751 1.00 0.44 C ATOM 1133 C ASP A 76 -8.074 -0.120 -6.040 1.00 0.40 C ATOM 1134 O ASP A 76 -9.280 0.124 -6.029 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.805 0.294 -8.163 1.00 0.55 C ATOM 1136 CG ASP A 76 -8.058 0.089 -8.998 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.539 1.067 -9.613 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.549 -1.055 -9.062 1.00 1.43 O ATOM 0 H ASP A 76 -5.031 0.590 -6.483 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.567 1.800 -6.816 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.146 0.996 -8.674 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.267 -0.651 -8.088 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.546 -1.179 -5.437 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.373 -2.168 -4.744 1.00 0.38 C ATOM 1145 C LEU A 77 -9.143 -1.535 -3.587 1.00 0.34 C ATOM 1146 O LEU A 77 -10.364 -1.674 -3.492 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.492 -3.308 -4.216 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.230 -4.415 -3.459 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.187 -5.156 -4.380 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.237 -5.379 -2.829 1.00 1.66 C ATOM 0 H LEU A 77 -6.546 -1.378 -5.412 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.095 -2.563 -5.459 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.965 -3.757 -5.058 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.735 -2.883 -3.557 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.816 -3.954 -2.664 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.700 -5.938 -3.819 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -9.921 -4.457 -4.781 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.628 -5.605 -5.200 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.777 -6.160 -2.294 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.624 -5.831 -3.609 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.597 -4.838 -2.132 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.430 -0.833 -2.718 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.050 -0.220 -1.550 1.00 0.31 C ATOM 1164 C ILE A 78 -9.980 0.915 -1.972 1.00 0.34 C ATOM 1165 O ILE A 78 -11.046 1.111 -1.384 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.990 0.300 -0.553 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.080 -0.854 -0.117 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.653 0.942 0.660 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -6.034 -0.457 0.901 1.00 0.40 C ATOM 0 H ILE A 78 -7.426 -0.674 -2.798 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.636 -0.989 -1.046 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.389 1.062 -1.049 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.695 -1.651 0.300 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.581 -1.263 -0.996 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.886 1.300 1.347 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.270 1.780 0.336 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.278 0.206 1.166 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.430 -1.326 1.160 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.393 0.318 0.481 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.524 -0.076 1.797 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.585 1.641 -3.015 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.406 2.728 -3.545 1.00 0.44 C ATOM 1183 C ASN A 79 -11.715 2.195 -4.112 1.00 0.44 C ATOM 1184 O ASN A 79 -12.770 2.794 -3.914 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.661 3.513 -4.633 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.917 4.713 -4.088 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.457 5.813 -4.029 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -7.671 4.516 -3.703 1.00 0.78 N ATOM 0 H ASN A 79 -8.704 1.497 -3.509 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.623 3.400 -2.715 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -8.955 2.850 -5.133 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.374 3.846 -5.387 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.120 5.294 -3.340 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -7.258 3.586 -3.768 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.640 1.063 -4.800 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.822 0.472 -5.407 1.00 0.47 C ATOM 1197 C GLY A 80 -13.875 0.086 -4.387 1.00 0.48 C ATOM 1198 O GLY A 80 -15.070 0.281 -4.612 1.00 0.54 O ATOM 0 H GLY A 80 -10.778 0.539 -4.950 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.252 1.178 -6.117 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.530 -0.412 -5.974 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.428 -0.441 -3.254 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.338 -0.878 -2.206 1.00 0.56 C ATOM 1204 C ALA A 81 -15.000 0.312 -1.517 1.00 0.61 C ATOM 1205 O ALA A 81 -16.107 0.201 -0.987 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.597 -1.738 -1.193 1.00 0.60 C ATOM 0 H ALA A 81 -12.440 -0.576 -3.038 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.125 -1.475 -2.667 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.288 -2.059 -0.414 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.182 -2.613 -1.693 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.789 -1.159 -0.746 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.322 1.452 -1.534 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.851 2.669 -0.931 1.00 0.64 C ATOM 1214 C LEU A 82 -15.741 3.424 -1.913 1.00 0.70 C ATOM 1215 O LEU A 82 -16.687 4.106 -1.514 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.703 3.568 -0.460 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.860 2.997 0.678 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.669 3.902 0.957 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.710 2.827 1.928 1.00 0.85 C ATOM 0 H LEU A 82 -13.402 1.560 -1.960 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.457 2.386 -0.071 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -13.050 3.772 -1.309 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -14.118 4.524 -0.140 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.485 2.018 0.381 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -11.076 3.483 1.770 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -11.053 3.979 0.061 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -12.024 4.893 1.239 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -13.097 2.419 2.732 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -14.109 3.795 2.231 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -14.534 2.145 1.718 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.449 3.279 -3.199 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.172 3.999 -4.243 1.00 0.71 C ATOM 1233 C ALA A 83 -17.637 3.576 -4.306 1.00 0.85 C ATOM 1234 O ALA A 83 -18.528 4.416 -4.447 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.507 3.776 -5.592 1.00 0.70 C ATOM 0 H ALA A 83 -14.712 2.666 -3.547 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.140 5.060 -3.996 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.056 4.318 -6.362 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.480 4.138 -5.555 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.508 2.712 -5.827 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.885 2.277 -4.187 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.243 1.751 -4.278 1.00 1.11 C ATOM 1243 C GLU A 84 -19.896 1.664 -2.899 1.00 1.29 C ATOM 1244 O GLU A 84 -20.949 1.048 -2.736 1.00 1.58 O ATOM 1245 CB GLU A 84 -19.235 0.368 -4.936 1.00 1.25 C ATOM 1246 CG GLU A 84 -18.696 0.365 -6.359 1.00 1.81 C ATOM 1247 CD GLU A 84 -19.517 1.226 -7.301 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -20.642 0.820 -7.664 1.00 2.67 O ATOM 1249 OE2 GLU A 84 -19.035 2.305 -7.701 1.00 2.39 O ATOM 0 H GLU A 84 -17.167 1.570 -4.028 1.00 0.89 H new ATOM 0 HA GLU A 84 -19.826 2.438 -4.891 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -18.634 -0.309 -4.329 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -20.251 -0.027 -4.942 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -17.666 0.721 -6.353 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -18.677 -0.659 -6.733 1.00 1.81 H new ATOM 1256 N ALA A 85 -19.278 2.298 -1.911 1.00 1.27 N ATOM 1257 CA ALA A 85 -19.771 2.223 -0.540 1.00 1.57 C ATOM 1258 C ALA A 85 -20.895 3.227 -0.290 1.00 1.83 C ATOM 1259 O ALA A 85 -22.047 2.842 -0.084 1.00 2.45 O ATOM 1260 CB ALA A 85 -18.637 2.439 0.451 1.00 1.74 C ATOM 0 H ALA A 85 -18.440 2.867 -2.031 1.00 1.27 H new ATOM 0 HA ALA A 85 -20.180 1.223 -0.393 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -19.026 2.379 1.468 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -17.877 1.671 0.307 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -18.195 3.422 0.289 1.00 1.74 H new ATOM 1266 N ALA A 86 -20.570 4.514 -0.317 1.00 2.09 N ATOM 1267 CA ALA A 86 -21.551 5.549 -0.023 1.00 2.63 C ATOM 1268 C ALA A 86 -21.466 6.680 -1.036 1.00 3.28 C ATOM 1269 O ALA A 86 -20.615 7.574 -0.862 1.00 3.73 O ATOM 1270 CB ALA A 86 -21.365 6.082 1.392 1.00 3.12 C ATOM 1271 OXT ALA A 86 -22.249 6.663 -2.004 1.00 3.82 O ATOM 0 H ALA A 86 -19.638 4.864 -0.539 1.00 2.09 H new ATOM 0 HA ALA A 86 -22.543 5.103 -0.094 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -22.108 6.854 1.591 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -21.488 5.268 2.106 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -20.366 6.506 1.493 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 8.709 -11.544 5.803 1.00 1.12 P HETATM 1279 O26 SXO A 87 8.758 -10.167 6.514 1.00 1.48 O HETATM 1280 O23 SXO A 87 10.025 -12.368 5.725 1.00 1.45 O HETATM 1281 O27 SXO A 87 7.652 -12.446 6.544 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.399 -11.858 7.022 1.00 1.02 C HETATM 1283 C29 SXO A 87 5.488 -12.933 7.626 1.00 1.15 C HETATM 1284 C30 SXO A 87 4.229 -12.224 8.096 1.00 1.14 C HETATM 1285 C31 SXO A 87 5.131 -13.978 6.564 1.00 1.22 C HETATM 1286 C32 SXO A 87 6.201 -13.634 8.828 1.00 1.49 C HETATM 1287 O33 SXO A 87 7.538 -14.001 8.468 1.00 1.65 O HETATM 1288 C34 SXO A 87 5.435 -14.888 9.263 1.00 1.70 C HETATM 1289 O35 SXO A 87 5.919 -16.008 9.087 1.00 1.95 O HETATM 1290 N36 SXO A 87 4.249 -14.696 9.820 1.00 1.69 N HETATM 1291 C37 SXO A 87 3.385 -15.774 10.287 1.00 1.95 C HETATM 1292 C38 SXO A 87 1.927 -15.541 9.905 1.00 1.97 C HETATM 1293 C39 SXO A 87 1.649 -15.789 8.431 1.00 1.75 C HETATM 1294 O40 SXO A 87 2.357 -16.529 7.747 1.00 2.21 O HETATM 1295 N41 SXO A 87 0.584 -15.156 7.964 1.00 1.79 N HETATM 1296 C42 SXO A 87 0.119 -15.250 6.585 1.00 1.94 C HETATM 1297 C43 SXO A 87 -0.050 -13.879 5.959 1.00 1.99 C HETATM 1298 S1 SXO A 87 1.498 -13.158 5.690 1.00 1.96 S HETATM 1299 C1 SXO A 87 0.960 -11.541 5.353 1.00 1.93 C HETATM 1300 O1 SXO A 87 0.016 -10.992 5.923 1.00 2.52 O HETATM 1301 C2 SXO A 87 1.744 -10.829 4.267 1.00 2.08 C HETATM 1302 C3 SXO A 87 0.839 -10.200 3.223 1.00 1.81 C HETATM 1303 C4 SXO A 87 1.640 -9.513 2.127 1.00 1.94 C HETATM 1304 C5 SXO A 87 0.736 -8.833 1.111 1.00 1.78 C HETATM 1305 C6 SXO A 87 -0.054 -7.699 1.743 1.00 1.64 C HETATM 1306 C7 SXO A 87 -0.900 -6.970 0.716 1.00 1.79 C HETATM 1307 C8 SXO A 87 -1.671 -5.850 1.375 1.00 1.84 C HETATM 0 HO33 SXO A 87 7.697 -13.777 7.527 1.00 1.65 H new HETATM 0 HN41 SXO A 87 0.057 -14.567 8.608 1.00 1.79 H new HETATM 0 HN36 SXO A 87 3.920 -13.737 9.929 1.00 1.69 H new HETATM 0 H43A SXO A 87 -0.589 -13.965 5.016 1.00 1.99 H new HETATM 0 H42A SXO A 87 0.830 -15.833 5.999 1.00 1.94 H new HETATM 0 H38A SXO A 87 1.292 -16.195 10.503 1.00 1.97 H new HETATM 0 H37A SXO A 87 3.724 -16.720 9.865 1.00 1.95 H new HETATM 0 H31B SXO A 87 4.612 -13.494 5.737 1.00 1.22 H new HETATM 0 H31A SXO A 87 6.043 -14.448 6.195 1.00 1.22 H new HETATM 0 H30B SXO A 87 4.491 -11.474 8.842 1.00 1.14 H new HETATM 0 H30A SXO A 87 3.746 -11.739 7.248 1.00 1.14 H new HETATM 0 H28A SXO A 87 6.613 -11.094 7.770 1.00 1.02 H new HETATM 0 H8B SXO A 87 -2.322 -6.261 2.146 1.00 1.84 H new HETATM 0 H8A SXO A 87 -0.973 -5.145 1.827 1.00 1.84 H new HETATM 0 H8 SXO A 87 -2.274 -5.335 0.628 1.00 1.84 H new HETATM 0 H7A SXO A 87 -0.263 -6.568 -0.072 1.00 1.79 H new HETATM 0 H7 SXO A 87 -1.591 -7.667 0.242 1.00 1.79 H new HETATM 0 H6A SXO A 87 -0.696 -8.096 2.529 1.00 1.64 H new HETATM 0 H6 SXO A 87 0.632 -6.996 2.216 1.00 1.64 H new HETATM 0 H5A SXO A 87 1.337 -8.445 0.289 1.00 1.78 H new HETATM 0 H5 SXO A 87 0.049 -9.565 0.686 1.00 1.78 H new HETATM 0 H4A SXO A 87 2.307 -8.775 2.572 1.00 1.94 H new HETATM 0 H43 SXO A 87 -0.648 -13.243 6.612 1.00 1.99 H new HETATM 0 H42 SXO A 87 -0.831 -15.784 6.556 1.00 1.94 H new HETATM 0 H4 SXO A 87 2.268 -10.246 1.622 1.00 1.94 H new HETATM 0 H3A SXO A 87 0.203 -10.968 2.782 1.00 1.81 H new HETATM 0 H38 SXO A 87 1.652 -14.516 10.153 1.00 1.97 H new HETATM 0 H37 SXO A 87 3.467 -15.861 11.370 1.00 1.95 H new HETATM 0 H32 SXO A 87 6.226 -12.928 9.658 1.00 1.49 H new HETATM 0 H31 SXO A 87 4.484 -14.737 7.003 1.00 1.22 H new HETATM 0 H30 SXO A 87 3.545 -12.950 8.536 1.00 1.14 H new HETATM 0 H3 SXO A 87 0.180 -9.475 3.701 1.00 1.81 H new HETATM 0 H2A SXO A 87 2.367 -10.056 4.718 1.00 2.08 H new HETATM 0 H28 SXO A 87 5.887 -11.362 6.197 1.00 1.02 H new HETATM 0 H2 SXO A 87 2.416 -11.538 3.783 1.00 2.08 H new