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 17 SER OG : rot 81:sc= 0.961 USER MOD Set 1.2: A 48 THR OG1 : rot -11:sc= 0.00742 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0818 (180deg=-0.485) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0129) USER MOD Single : A 3 THR OG1 : rot 46:sc= 0.462 USER MOD Single : A 6 THR OG1 : rot -67:sc= 1.18 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -55:sc= 0.32 USER MOD Single : A 27 SER OG : rot 170:sc= 0.313 USER MOD Single : A 40 TYR OH : rot -150:sc= -1.21! USER MOD Single : A 46 MET CE :methyl -150:sc= 0 (180deg=-0.584) USER MOD Single : A 54 SER OG : rot 150:sc= 0 USER MOD Single : A 56 TYR OH : rot -91:sc= 1.23 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 79 ASN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 87 SXA O33 : rot -117:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.865 -4.423 1.980 1.00 4.19 N ATOM 2 CA MET A 1 19.167 -5.641 1.575 1.00 3.33 C ATOM 3 C MET A 1 17.979 -5.302 0.725 1.00 2.81 C ATOM 4 O MET A 1 17.924 -5.682 -0.451 1.00 3.10 O ATOM 5 CB MET A 1 18.720 -6.475 2.786 1.00 3.38 C ATOM 6 CG MET A 1 19.860 -7.045 3.601 1.00 4.12 C ATOM 7 SD MET A 1 20.923 -8.135 2.630 1.00 4.79 S ATOM 8 CE MET A 1 19.773 -9.444 2.182 1.00 5.54 C ATOM 0 H1 MET A 1 20.723 -4.675 2.511 1.00 4.19 H new ATOM 0 H2 MET A 1 20.128 -3.877 1.135 1.00 4.19 H new ATOM 0 H3 MET A 1 19.241 -3.849 2.583 1.00 4.19 H new ATOM 0 HA MET A 1 19.870 -6.241 0.997 1.00 3.33 H new ATOM 0 HB2 MET A 1 18.101 -5.853 3.433 1.00 3.38 H new ATOM 0 HB3 MET A 1 18.092 -7.295 2.437 1.00 3.38 H new ATOM 0 HG2 MET A 1 20.456 -6.228 4.007 1.00 4.12 H new ATOM 0 HG3 MET A 1 19.456 -7.597 4.449 1.00 4.12 H new ATOM 0 HE1 MET A 1 20.330 -10.320 1.851 1.00 5.54 H new ATOM 0 HE2 MET A 1 19.165 -9.706 3.048 1.00 5.54 H new ATOM 0 HE3 MET A 1 19.126 -9.100 1.375 1.00 5.54 H new ATOM 20 N ALA A 2 17.032 -4.574 1.326 1.00 2.62 N ATOM 21 CA ALA A 2 15.790 -4.155 0.700 1.00 2.47 C ATOM 22 C ALA A 2 14.873 -5.326 0.526 1.00 1.86 C ATOM 23 O ALA A 2 14.942 -6.052 -0.473 1.00 1.91 O ATOM 24 CB ALA A 2 15.998 -3.409 -0.613 1.00 3.03 C ATOM 0 H ALA A 2 17.119 -4.254 2.291 1.00 2.62 H new ATOM 0 HA ALA A 2 15.322 -3.438 1.375 1.00 2.47 H new ATOM 0 HB1 ALA A 2 15.031 -3.125 -1.027 1.00 3.03 H new ATOM 0 HB2 ALA A 2 16.593 -2.513 -0.432 1.00 3.03 H new ATOM 0 HB3 ALA A 2 16.520 -4.055 -1.320 1.00 3.03 H new ATOM 30 N THR A 3 14.074 -5.556 1.527 1.00 1.56 N ATOM 31 CA THR A 3 13.123 -6.610 1.507 1.00 1.14 C ATOM 32 C THR A 3 11.965 -6.191 0.622 1.00 0.93 C ATOM 33 O THR A 3 11.172 -5.304 0.991 1.00 1.17 O ATOM 34 CB THR A 3 12.637 -6.840 2.944 1.00 1.54 C ATOM 35 OG1 THR A 3 12.343 -5.560 3.542 1.00 1.88 O ATOM 36 CG2 THR A 3 13.697 -7.562 3.767 1.00 1.93 C ATOM 0 H THR A 3 14.071 -5.006 2.386 1.00 1.56 H new ATOM 0 HA THR A 3 13.558 -7.531 1.118 1.00 1.14 H new ATOM 0 HB THR A 3 11.743 -7.463 2.924 1.00 1.54 H new ATOM 0 HG1 THR A 3 11.818 -5.019 2.916 1.00 1.88 H new ATOM 0 HG21 THR A 3 13.329 -7.713 4.782 1.00 1.93 H new ATOM 0 HG22 THR A 3 13.915 -8.528 3.312 1.00 1.93 H new ATOM 0 HG23 THR A 3 14.606 -6.961 3.797 1.00 1.93 H new ATOM 44 N LEU A 4 11.906 -6.778 -0.555 1.00 0.66 N ATOM 45 CA LEU A 4 10.877 -6.480 -1.509 1.00 0.56 C ATOM 46 C LEU A 4 9.563 -6.962 -0.973 1.00 0.50 C ATOM 47 O LEU A 4 9.495 -7.980 -0.256 1.00 0.76 O ATOM 48 CB LEU A 4 11.172 -7.112 -2.873 1.00 0.65 C ATOM 49 CG LEU A 4 12.492 -6.699 -3.541 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.676 -7.435 -4.854 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.538 -5.191 -3.770 1.00 0.86 C ATOM 0 H LEU A 4 12.577 -7.478 -0.871 1.00 0.66 H new ATOM 0 HA LEU A 4 10.839 -5.401 -1.661 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.172 -8.196 -2.756 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.354 -6.865 -3.549 1.00 0.65 H new ATOM 0 HG LEU A 4 13.308 -6.969 -2.871 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.616 -7.130 -5.313 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.694 -8.509 -4.670 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.850 -7.196 -5.524 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.482 -4.924 -4.244 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.711 -4.896 -4.416 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.453 -4.675 -2.814 1.00 0.86 H new ATOM 63 N LEU A 5 8.534 -6.252 -1.281 1.00 0.36 N ATOM 64 CA LEU A 5 7.253 -6.566 -0.736 1.00 0.36 C ATOM 65 C LEU A 5 6.588 -7.628 -1.536 1.00 0.39 C ATOM 66 O LEU A 5 6.757 -7.693 -2.752 1.00 0.52 O ATOM 67 CB LEU A 5 6.335 -5.355 -0.713 1.00 0.42 C ATOM 68 CG LEU A 5 6.854 -4.087 -0.082 1.00 0.51 C ATOM 69 CD1 LEU A 5 5.711 -3.112 0.096 1.00 0.61 C ATOM 70 CD2 LEU A 5 7.540 -4.367 1.230 1.00 0.54 C ATOM 0 H LEU A 5 8.551 -5.448 -1.908 1.00 0.36 H new ATOM 0 HA LEU A 5 7.426 -6.907 0.285 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.057 -5.127 -1.742 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.421 -5.638 -0.191 1.00 0.42 H new ATOM 0 HG LEU A 5 7.600 -3.645 -0.742 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.083 -2.194 0.552 1.00 0.61 H new ATOM 0 HD12 LEU A 5 5.274 -2.883 -0.876 1.00 0.61 H new ATOM 0 HD13 LEU A 5 4.952 -3.555 0.740 1.00 0.61 H new ATOM 0 HD21 LEU A 5 7.902 -3.432 1.658 1.00 0.54 H new ATOM 0 HD22 LEU A 5 6.834 -4.832 1.918 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.381 -5.040 1.064 1.00 0.54 H new ATOM 82 N THR A 6 5.883 -8.459 -0.861 1.00 0.36 N ATOM 83 CA THR A 6 5.045 -9.416 -1.481 1.00 0.41 C ATOM 84 C THR A 6 3.615 -8.906 -1.361 1.00 0.30 C ATOM 85 O THR A 6 3.403 -7.769 -0.874 1.00 0.24 O ATOM 86 CB THR A 6 5.174 -10.808 -0.813 1.00 0.56 C ATOM 87 OG1 THR A 6 4.928 -10.699 0.614 1.00 0.59 O ATOM 88 CG2 THR A 6 6.557 -11.401 -1.050 1.00 0.79 C ATOM 0 H THR A 6 5.872 -8.494 0.158 1.00 0.36 H new ATOM 0 HA THR A 6 5.335 -9.540 -2.524 1.00 0.41 H new ATOM 0 HB THR A 6 4.432 -11.469 -1.261 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.649 -10.184 1.032 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.621 -12.378 -0.571 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.727 -11.510 -2.121 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.314 -10.740 -0.628 1.00 0.79 H new ATOM 96 N THR A 7 2.654 -9.705 -1.756 1.00 0.33 N ATOM 97 CA THR A 7 1.259 -9.370 -1.611 1.00 0.32 C ATOM 98 C THR A 7 0.954 -9.129 -0.118 1.00 0.24 C ATOM 99 O THR A 7 0.255 -8.190 0.246 1.00 0.26 O ATOM 100 CB THR A 7 0.410 -10.531 -2.138 1.00 0.44 C ATOM 101 OG1 THR A 7 0.935 -10.942 -3.416 1.00 0.55 O ATOM 102 CG2 THR A 7 -1.041 -10.114 -2.302 1.00 0.55 C ATOM 0 H THR A 7 2.820 -10.613 -2.190 1.00 0.33 H new ATOM 0 HA THR A 7 1.026 -8.468 -2.177 1.00 0.32 H new ATOM 0 HB THR A 7 0.451 -11.353 -1.423 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.402 -11.687 -3.765 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.622 -10.957 -2.677 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.440 -9.799 -1.338 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.104 -9.286 -3.009 1.00 0.55 H new ATOM 110 N ASP A 8 1.553 -9.973 0.729 1.00 0.28 N ATOM 111 CA ASP A 8 1.352 -9.935 2.179 1.00 0.31 C ATOM 112 C ASP A 8 1.847 -8.639 2.797 1.00 0.24 C ATOM 113 O ASP A 8 1.143 -8.034 3.602 1.00 0.28 O ATOM 114 CB ASP A 8 2.050 -11.108 2.850 1.00 0.46 C ATOM 115 CG ASP A 8 1.905 -11.092 4.359 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.902 -11.615 4.887 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.770 -10.513 5.043 1.00 1.61 O ATOM 0 H ASP A 8 2.194 -10.705 0.425 1.00 0.28 H new ATOM 0 HA ASP A 8 0.277 -10.001 2.345 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.641 -12.040 2.460 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.109 -11.092 2.591 1.00 0.46 H new ATOM 122 N ASP A 9 3.032 -8.197 2.385 1.00 0.24 N ATOM 123 CA ASP A 9 3.648 -6.977 2.953 1.00 0.28 C ATOM 124 C ASP A 9 2.793 -5.791 2.635 1.00 0.24 C ATOM 125 O ASP A 9 2.529 -4.946 3.489 1.00 0.30 O ATOM 126 CB ASP A 9 5.037 -6.712 2.368 1.00 0.38 C ATOM 127 CG ASP A 9 6.051 -7.785 2.634 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.165 -8.715 1.813 1.00 1.78 O ATOM 129 OD2 ASP A 9 6.773 -7.704 3.647 1.00 1.12 O ATOM 0 H ASP A 9 3.591 -8.654 1.665 1.00 0.24 H new ATOM 0 HA ASP A 9 3.736 -7.132 4.028 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.942 -6.582 1.290 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.411 -5.771 2.771 1.00 0.38 H new ATOM 134 N LEU A 10 2.347 -5.752 1.402 1.00 0.19 N ATOM 135 CA LEU A 10 1.491 -4.709 0.920 1.00 0.23 C ATOM 136 C LEU A 10 0.167 -4.760 1.682 1.00 0.24 C ATOM 137 O LEU A 10 -0.256 -3.770 2.261 1.00 0.30 O ATOM 138 CB LEU A 10 1.271 -4.906 -0.582 1.00 0.27 C ATOM 139 CG LEU A 10 0.455 -3.846 -1.315 1.00 0.38 C ATOM 140 CD1 LEU A 10 1.132 -2.485 -1.234 1.00 0.47 C ATOM 141 CD2 LEU A 10 0.268 -4.261 -2.759 1.00 0.47 C ATOM 0 H LEU A 10 2.575 -6.456 0.700 1.00 0.19 H new ATOM 0 HA LEU A 10 1.944 -3.731 1.081 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.248 -4.970 -1.060 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.781 -5.869 -0.728 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.521 -3.761 -0.836 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.530 -1.747 -1.764 1.00 0.47 H new ATOM 0 HD12 LEU A 10 1.231 -2.189 -0.190 1.00 0.47 H new ATOM 0 HD13 LEU A 10 2.120 -2.543 -1.690 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.315 -3.503 -3.283 1.00 0.47 H new ATOM 0 HD22 LEU A 10 1.242 -4.364 -3.237 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.258 -5.215 -2.798 1.00 0.47 H new ATOM 153 N ARG A 11 -0.428 -5.950 1.719 1.00 0.24 N ATOM 154 CA ARG A 11 -1.698 -6.214 2.402 1.00 0.30 C ATOM 155 C ARG A 11 -1.689 -5.686 3.831 1.00 0.33 C ATOM 156 O ARG A 11 -2.602 -4.985 4.230 1.00 0.38 O ATOM 157 CB ARG A 11 -1.978 -7.720 2.420 1.00 0.36 C ATOM 158 CG ARG A 11 -3.296 -8.108 3.060 1.00 0.51 C ATOM 159 CD ARG A 11 -3.462 -9.615 3.121 1.00 0.73 C ATOM 160 NE ARG A 11 -2.414 -10.258 3.933 1.00 0.97 N ATOM 161 CZ ARG A 11 -2.645 -11.035 5.004 1.00 1.30 C ATOM 162 NH1 ARG A 11 -3.891 -11.302 5.381 1.00 1.81 N ATOM 163 NH2 ARG A 11 -1.626 -11.567 5.664 1.00 1.98 N ATOM 0 H ARG A 11 -0.035 -6.776 1.267 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.482 -5.695 1.851 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -1.963 -8.091 1.395 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.169 -8.221 2.952 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.349 -7.694 4.067 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.119 -7.673 2.493 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.440 -9.854 3.538 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.438 -10.023 2.110 1.00 0.73 H new ATOM 0 HE ARG A 11 -1.443 -10.102 3.662 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -4.676 -10.916 4.856 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -4.062 -11.893 6.195 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -0.670 -11.386 5.358 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -1.798 -12.157 6.478 1.00 1.98 H new ATOM 177 N ARG A 12 -0.640 -6.018 4.576 1.00 0.33 N ATOM 178 CA ARG A 12 -0.501 -5.618 5.979 1.00 0.39 C ATOM 179 C ARG A 12 -0.599 -4.113 6.175 1.00 0.39 C ATOM 180 O ARG A 12 -1.202 -3.646 7.145 1.00 0.48 O ATOM 181 CB ARG A 12 0.791 -6.157 6.580 1.00 0.49 C ATOM 182 CG ARG A 12 0.824 -7.664 6.695 1.00 0.77 C ATOM 183 CD ARG A 12 2.098 -8.129 7.349 1.00 0.90 C ATOM 184 NE ARG A 12 2.137 -9.582 7.494 1.00 1.28 N ATOM 185 CZ ARG A 12 2.099 -10.229 8.666 1.00 1.77 C ATOM 186 NH1 ARG A 12 1.989 -9.549 9.809 1.00 2.08 N ATOM 187 NH2 ARG A 12 2.162 -11.549 8.696 1.00 2.59 N ATOM 0 H ARG A 12 0.141 -6.573 4.227 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.343 -6.062 6.510 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.631 -5.830 5.967 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.930 -5.723 7.570 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -0.033 -8.007 7.275 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.736 -8.110 5.704 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.951 -7.800 6.756 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.193 -7.664 8.330 1.00 0.90 H new ATOM 0 HE ARG A 12 2.197 -10.143 6.644 1.00 1.28 H new ATOM 0 HH11 ARG A 12 1.933 -8.531 9.793 1.00 2.08 H new ATOM 0 HH12 ARG A 12 1.961 -10.048 10.698 1.00 2.08 H new ATOM 0 HH21 ARG A 12 2.240 -12.076 7.826 1.00 2.59 H new ATOM 0 HH22 ARG A 12 2.133 -12.041 9.589 1.00 2.59 H new ATOM 201 N ALA A 13 -0.043 -3.360 5.241 1.00 0.35 N ATOM 202 CA ALA A 13 -0.096 -1.911 5.311 1.00 0.41 C ATOM 203 C ALA A 13 -1.527 -1.435 5.162 1.00 0.42 C ATOM 204 O ALA A 13 -1.986 -0.562 5.910 1.00 0.50 O ATOM 205 CB ALA A 13 0.776 -1.296 4.248 1.00 0.48 C ATOM 0 H ALA A 13 0.449 -3.728 4.427 1.00 0.35 H new ATOM 0 HA ALA A 13 0.280 -1.596 6.285 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.723 -0.210 4.317 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.807 -1.618 4.392 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.430 -1.614 3.265 1.00 0.48 H new ATOM 211 N LEU A 14 -2.244 -2.046 4.222 1.00 0.41 N ATOM 212 CA LEU A 14 -3.639 -1.727 4.010 1.00 0.49 C ATOM 213 C LEU A 14 -4.473 -2.146 5.215 1.00 0.55 C ATOM 214 O LEU A 14 -5.391 -1.430 5.603 1.00 0.72 O ATOM 215 CB LEU A 14 -4.223 -2.342 2.714 1.00 0.51 C ATOM 216 CG LEU A 14 -3.831 -1.704 1.361 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.416 -2.036 0.950 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.810 -2.106 0.281 1.00 0.92 C ATOM 0 H LEU A 14 -1.875 -2.764 3.599 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.688 -0.645 3.888 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.932 -3.392 2.684 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.310 -2.314 2.793 1.00 0.51 H new ATOM 0 HG LEU A 14 -3.874 -0.623 1.495 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.194 -1.563 -0.006 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -1.722 -1.669 1.706 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.309 -3.116 0.853 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.518 -1.648 -0.664 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.808 -3.191 0.174 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.810 -1.770 0.553 1.00 0.92 H new ATOM 230 N VAL A 15 -4.134 -3.295 5.819 1.00 0.51 N ATOM 231 CA VAL A 15 -4.820 -3.805 7.025 1.00 0.60 C ATOM 232 C VAL A 15 -4.822 -2.734 8.119 1.00 0.58 C ATOM 233 O VAL A 15 -5.863 -2.461 8.739 1.00 0.66 O ATOM 234 CB VAL A 15 -4.148 -5.114 7.572 1.00 0.69 C ATOM 235 CG1 VAL A 15 -4.791 -5.566 8.879 1.00 0.81 C ATOM 236 CG2 VAL A 15 -4.251 -6.236 6.555 1.00 0.76 C ATOM 0 H VAL A 15 -3.380 -3.898 5.490 1.00 0.51 H new ATOM 0 HA VAL A 15 -5.844 -4.047 6.741 1.00 0.60 H new ATOM 0 HB VAL A 15 -3.099 -4.883 7.757 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -4.302 -6.475 9.230 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -4.681 -4.782 9.629 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -5.850 -5.764 8.714 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -3.779 -7.134 6.954 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -5.301 -6.441 6.344 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -3.747 -5.940 5.635 1.00 0.76 H new ATOM 246 N GLU A 16 -3.669 -2.133 8.343 1.00 0.55 N ATOM 247 CA GLU A 16 -3.528 -1.060 9.317 1.00 0.63 C ATOM 248 C GLU A 16 -4.467 0.104 9.001 1.00 0.58 C ATOM 249 O GLU A 16 -5.145 0.620 9.880 1.00 0.67 O ATOM 250 CB GLU A 16 -2.090 -0.552 9.344 1.00 0.82 C ATOM 251 CG GLU A 16 -1.079 -1.568 9.822 1.00 1.16 C ATOM 252 CD GLU A 16 -1.338 -2.008 11.238 1.00 1.67 C ATOM 253 OE1 GLU A 16 -1.189 -1.185 12.166 1.00 1.83 O ATOM 254 OE2 GLU A 16 -1.640 -3.183 11.457 1.00 2.43 O ATOM 0 H GLU A 16 -2.804 -2.372 7.858 1.00 0.55 H new ATOM 0 HA GLU A 16 -3.792 -1.467 10.293 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -1.814 -0.226 8.341 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.039 0.325 9.989 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -1.101 -2.437 9.164 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -0.078 -1.142 9.754 1.00 1.16 H new ATOM 261 N SER A 17 -4.530 0.475 7.740 1.00 0.52 N ATOM 262 CA SER A 17 -5.323 1.610 7.308 1.00 0.62 C ATOM 263 C SER A 17 -6.818 1.274 7.194 1.00 0.70 C ATOM 264 O SER A 17 -7.663 2.176 7.062 1.00 0.94 O ATOM 265 CB SER A 17 -4.791 2.075 5.985 1.00 0.67 C ATOM 266 OG SER A 17 -3.384 2.223 6.060 1.00 1.26 O ATOM 0 H SER A 17 -4.034 0.000 6.985 1.00 0.52 H new ATOM 0 HA SER A 17 -5.242 2.397 8.058 1.00 0.62 H new ATOM 0 HB2 SER A 17 -5.050 1.358 5.206 1.00 0.67 H new ATOM 0 HB3 SER A 17 -5.252 3.024 5.710 1.00 0.67 H new ATOM 0 HG SER A 17 -2.957 1.348 5.949 1.00 1.26 H new ATOM 272 N ALA A 18 -7.137 -0.010 7.234 1.00 0.61 N ATOM 273 CA ALA A 18 -8.514 -0.464 7.174 1.00 0.79 C ATOM 274 C ALA A 18 -9.186 -0.188 8.498 1.00 0.97 C ATOM 275 O ALA A 18 -10.387 0.099 8.559 1.00 1.23 O ATOM 276 CB ALA A 18 -8.580 -1.947 6.839 1.00 0.82 C ATOM 0 H ALA A 18 -6.452 -0.762 7.309 1.00 0.61 H new ATOM 0 HA ALA A 18 -9.035 0.078 6.385 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.622 -2.265 6.799 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.110 -2.123 5.871 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.056 -2.517 7.606 1.00 0.82 H new ATOM 282 N GLY A 19 -8.400 -0.233 9.553 1.00 1.02 N ATOM 283 CA GLY A 19 -8.918 0.043 10.847 1.00 1.29 C ATOM 284 C GLY A 19 -8.493 -0.966 11.873 1.00 1.50 C ATOM 285 O GLY A 19 -7.310 -1.059 12.225 1.00 2.02 O ATOM 0 H GLY A 19 -7.406 -0.459 9.525 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -8.589 1.034 11.161 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -10.007 0.069 10.799 1.00 1.29 H new ATOM 289 N GLU A 20 -9.429 -1.776 12.290 1.00 1.87 N ATOM 290 CA GLU A 20 -9.230 -2.694 13.395 1.00 2.49 C ATOM 291 C GLU A 20 -9.160 -4.139 12.915 1.00 2.35 C ATOM 292 O GLU A 20 -9.523 -5.065 13.645 1.00 2.86 O ATOM 293 CB GLU A 20 -10.353 -2.512 14.413 1.00 3.34 C ATOM 294 CG GLU A 20 -10.420 -1.107 14.989 1.00 3.88 C ATOM 295 CD GLU A 20 -11.485 -0.959 16.032 1.00 4.57 C ATOM 296 OE1 GLU A 20 -11.229 -1.291 17.203 1.00 5.20 O ATOM 297 OE2 GLU A 20 -12.613 -0.505 15.710 1.00 4.79 O ATOM 0 H GLU A 20 -10.359 -1.823 11.874 1.00 1.87 H new ATOM 0 HA GLU A 20 -8.275 -2.468 13.869 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -11.306 -2.749 13.939 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -10.216 -3.225 15.226 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -9.454 -0.851 15.424 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -10.606 -0.397 14.183 1.00 3.88 H new ATOM 304 N THR A 21 -8.623 -4.310 11.722 1.00 2.33 N ATOM 305 CA THR A 21 -8.443 -5.607 11.095 1.00 2.61 C ATOM 306 C THR A 21 -9.790 -6.265 10.748 1.00 2.41 C ATOM 307 O THR A 21 -10.270 -7.171 11.439 1.00 3.04 O ATOM 308 CB THR A 21 -7.554 -6.562 11.953 1.00 3.66 C ATOM 309 OG1 THR A 21 -6.318 -5.900 12.280 1.00 4.09 O ATOM 310 CG2 THR A 21 -7.225 -7.839 11.181 1.00 4.35 C ATOM 0 H THR A 21 -8.292 -3.534 11.148 1.00 2.33 H new ATOM 0 HA THR A 21 -7.911 -5.427 10.161 1.00 2.61 H new ATOM 0 HB THR A 21 -8.105 -6.820 12.857 1.00 3.66 H new ATOM 0 HG1 THR A 21 -5.760 -6.498 12.820 1.00 4.09 H new ATOM 0 HG21 THR A 21 -6.605 -8.488 11.799 1.00 4.35 H new ATOM 0 HG22 THR A 21 -8.149 -8.357 10.924 1.00 4.35 H new ATOM 0 HG23 THR A 21 -6.686 -7.584 10.269 1.00 4.35 H new ATOM 318 N ASP A 22 -10.444 -5.701 9.768 1.00 2.19 N ATOM 319 CA ASP A 22 -11.643 -6.291 9.219 1.00 2.51 C ATOM 320 C ASP A 22 -11.241 -7.252 8.105 1.00 2.23 C ATOM 321 O ASP A 22 -11.471 -8.461 8.193 1.00 2.75 O ATOM 322 CB ASP A 22 -12.626 -5.203 8.707 1.00 3.10 C ATOM 323 CG ASP A 22 -11.999 -4.236 7.720 1.00 3.82 C ATOM 324 OD1 ASP A 22 -11.423 -3.218 8.140 1.00 4.46 O ATOM 325 OD2 ASP A 22 -12.117 -4.471 6.514 1.00 4.16 O ATOM 0 H ASP A 22 -10.166 -4.824 9.327 1.00 2.19 H new ATOM 0 HA ASP A 22 -12.171 -6.840 9.999 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -13.479 -5.689 8.235 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -13.010 -4.642 9.559 1.00 3.10 H new ATOM 330 N GLY A 23 -10.588 -6.720 7.093 1.00 2.01 N ATOM 331 CA GLY A 23 -10.141 -7.500 5.999 1.00 2.24 C ATOM 332 C GLY A 23 -11.215 -7.601 4.955 1.00 1.82 C ATOM 333 O GLY A 23 -11.760 -8.674 4.728 1.00 2.14 O ATOM 0 H GLY A 23 -10.360 -5.728 7.022 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -9.246 -7.053 5.567 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -9.865 -8.497 6.343 1.00 2.24 H new ATOM 337 N THR A 24 -11.578 -6.470 4.396 1.00 1.57 N ATOM 338 CA THR A 24 -12.562 -6.367 3.314 1.00 1.43 C ATOM 339 C THR A 24 -12.087 -7.067 2.003 1.00 1.45 C ATOM 340 O THR A 24 -11.776 -6.403 1.004 1.00 1.91 O ATOM 341 CB THR A 24 -12.924 -4.857 3.057 1.00 1.62 C ATOM 342 OG1 THR A 24 -13.727 -4.701 1.872 1.00 2.20 O ATOM 343 CG2 THR A 24 -11.670 -3.979 2.965 1.00 1.81 C ATOM 0 H THR A 24 -11.195 -5.568 4.679 1.00 1.57 H new ATOM 0 HA THR A 24 -13.459 -6.897 3.634 1.00 1.43 H new ATOM 0 HB THR A 24 -13.508 -4.525 3.915 1.00 1.62 H new ATOM 0 HG1 THR A 24 -13.268 -5.112 1.110 1.00 2.20 H new ATOM 0 HG21 THR A 24 -11.963 -2.944 2.787 1.00 1.81 H new ATOM 0 HG22 THR A 24 -11.112 -4.043 3.899 1.00 1.81 H new ATOM 0 HG23 THR A 24 -11.043 -4.325 2.143 1.00 1.81 H new ATOM 351 N ASP A 25 -12.001 -8.414 2.054 1.00 1.48 N ATOM 352 CA ASP A 25 -11.556 -9.269 0.928 1.00 1.62 C ATOM 353 C ASP A 25 -10.176 -8.801 0.484 1.00 1.23 C ATOM 354 O ASP A 25 -9.847 -8.736 -0.693 1.00 1.29 O ATOM 355 CB ASP A 25 -12.582 -9.218 -0.225 1.00 2.15 C ATOM 356 CG ASP A 25 -12.384 -10.320 -1.252 1.00 2.70 C ATOM 357 OD1 ASP A 25 -12.612 -11.510 -0.946 1.00 3.20 O ATOM 358 OD2 ASP A 25 -11.924 -10.008 -2.376 1.00 3.10 O ATOM 0 H ASP A 25 -12.242 -8.947 2.890 1.00 1.48 H new ATOM 0 HA ASP A 25 -11.489 -10.310 1.244 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -13.588 -9.292 0.189 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -12.512 -8.250 -0.722 1.00 2.15 H new ATOM 363 N LEU A 26 -9.364 -8.509 1.474 1.00 1.06 N ATOM 364 CA LEU A 26 -8.069 -7.911 1.267 1.00 0.81 C ATOM 365 C LEU A 26 -6.972 -8.974 1.255 1.00 0.84 C ATOM 366 O LEU A 26 -5.821 -8.697 0.919 1.00 1.12 O ATOM 367 CB LEU A 26 -7.823 -6.899 2.391 1.00 0.93 C ATOM 368 CG LEU A 26 -6.587 -6.021 2.272 1.00 0.93 C ATOM 369 CD1 LEU A 26 -6.711 -5.105 1.071 1.00 1.12 C ATOM 370 CD2 LEU A 26 -6.384 -5.224 3.543 1.00 1.24 C ATOM 0 H LEU A 26 -9.588 -8.682 2.454 1.00 1.06 H new ATOM 0 HA LEU A 26 -8.047 -7.410 0.299 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -8.695 -6.249 2.458 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -7.760 -7.446 3.332 1.00 0.93 H new ATOM 0 HG LEU A 26 -5.713 -6.657 2.128 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -5.820 -4.481 0.996 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -6.812 -5.704 0.166 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -7.590 -4.471 1.186 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -5.496 -4.600 3.443 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -7.254 -4.591 3.719 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -6.256 -5.906 4.384 1.00 1.24 H new ATOM 382 N SER A 27 -7.321 -10.173 1.616 1.00 0.86 N ATOM 383 CA SER A 27 -6.355 -11.222 1.665 1.00 0.94 C ATOM 384 C SER A 27 -6.506 -12.150 0.463 1.00 1.11 C ATOM 385 O SER A 27 -7.615 -12.573 0.110 1.00 1.82 O ATOM 386 CB SER A 27 -6.462 -11.963 2.983 1.00 1.29 C ATOM 387 OG SER A 27 -6.371 -11.041 4.080 1.00 1.78 O ATOM 0 H SER A 27 -8.268 -10.446 1.880 1.00 0.86 H new ATOM 0 HA SER A 27 -5.354 -10.794 1.609 1.00 0.94 H new ATOM 0 HB2 SER A 27 -7.408 -12.502 3.029 1.00 1.29 H new ATOM 0 HB3 SER A 27 -5.668 -12.706 3.056 1.00 1.29 H new ATOM 0 HG SER A 27 -6.601 -11.501 4.914 1.00 1.78 H new ATOM 393 N GLY A 28 -5.397 -12.435 -0.159 1.00 1.06 N ATOM 394 CA GLY A 28 -5.361 -13.219 -1.358 1.00 1.30 C ATOM 395 C GLY A 28 -4.622 -12.432 -2.386 1.00 1.12 C ATOM 396 O GLY A 28 -3.397 -12.336 -2.328 1.00 1.42 O ATOM 0 H GLY A 28 -4.479 -12.124 0.159 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -4.867 -14.173 -1.177 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -6.371 -13.443 -1.700 1.00 1.30 H new ATOM 400 N ASP A 29 -5.344 -11.831 -3.279 1.00 1.15 N ATOM 401 CA ASP A 29 -4.776 -10.903 -4.232 1.00 1.06 C ATOM 402 C ASP A 29 -5.712 -9.742 -4.395 1.00 0.95 C ATOM 403 O ASP A 29 -6.933 -9.910 -4.373 1.00 1.46 O ATOM 404 CB ASP A 29 -4.459 -11.541 -5.593 1.00 1.33 C ATOM 405 CG ASP A 29 -3.921 -10.518 -6.586 1.00 1.79 C ATOM 406 OD1 ASP A 29 -2.997 -9.761 -6.240 1.00 2.27 O ATOM 407 OD2 ASP A 29 -4.450 -10.419 -7.712 1.00 2.15 O ATOM 0 H ASP A 29 -6.351 -11.965 -3.376 1.00 1.15 H new ATOM 0 HA ASP A 29 -3.818 -10.568 -3.835 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -3.727 -12.338 -5.459 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -5.361 -12.001 -5.998 1.00 1.33 H new ATOM 412 N PHE A 30 -5.158 -8.588 -4.550 1.00 0.50 N ATOM 413 CA PHE A 30 -5.936 -7.374 -4.649 1.00 0.39 C ATOM 414 C PHE A 30 -5.175 -6.336 -5.460 1.00 0.32 C ATOM 415 O PHE A 30 -5.641 -5.231 -5.655 1.00 0.31 O ATOM 416 CB PHE A 30 -6.259 -6.839 -3.224 1.00 0.39 C ATOM 417 CG PHE A 30 -5.038 -6.545 -2.374 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.358 -7.569 -1.727 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.571 -5.255 -2.233 1.00 0.41 C ATOM 420 CE1 PHE A 30 -3.244 -7.304 -0.965 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.455 -4.986 -1.470 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.793 -6.010 -0.836 1.00 0.53 C ATOM 0 H PHE A 30 -4.150 -8.446 -4.613 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.876 -7.585 -5.159 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.850 -5.928 -3.316 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.879 -7.571 -2.706 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.708 -8.586 -1.824 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.087 -4.445 -2.727 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.724 -8.110 -0.469 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.101 -3.971 -1.370 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.919 -5.799 -0.237 1.00 0.53 H new ATOM 432 N LEU A 31 -3.990 -6.725 -5.935 1.00 0.33 N ATOM 433 CA LEU A 31 -3.111 -5.866 -6.731 1.00 0.32 C ATOM 434 C LEU A 31 -3.767 -5.334 -8.004 1.00 0.28 C ATOM 435 O LEU A 31 -3.409 -4.255 -8.482 1.00 0.33 O ATOM 436 CB LEU A 31 -1.777 -6.558 -7.056 1.00 0.41 C ATOM 437 CG LEU A 31 -0.719 -6.627 -5.930 1.00 0.61 C ATOM 438 CD1 LEU A 31 -1.207 -7.398 -4.716 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.556 -7.239 -6.461 1.00 0.98 C ATOM 0 H LEU A 31 -3.609 -7.658 -5.776 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.907 -5.000 -6.101 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -1.995 -7.577 -7.376 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.330 -6.045 -7.907 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.529 -5.606 -5.600 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.425 -7.415 -3.957 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -2.095 -6.914 -4.311 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.452 -8.419 -5.008 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.297 -7.285 -5.663 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.352 -8.246 -6.825 1.00 0.98 H new ATOM 0 HD23 LEU A 31 0.940 -6.628 -7.278 1.00 0.98 H new ATOM 451 N ASP A 32 -4.726 -6.077 -8.526 1.00 0.32 N ATOM 452 CA ASP A 32 -5.378 -5.744 -9.794 1.00 0.43 C ATOM 453 C ASP A 32 -6.642 -4.939 -9.541 1.00 0.36 C ATOM 454 O ASP A 32 -7.154 -4.234 -10.431 1.00 0.42 O ATOM 455 CB ASP A 32 -5.723 -7.053 -10.531 1.00 0.69 C ATOM 456 CG ASP A 32 -6.328 -6.862 -11.898 1.00 1.22 C ATOM 457 OD1 ASP A 32 -5.563 -6.729 -12.883 1.00 1.74 O ATOM 458 OD2 ASP A 32 -7.561 -6.883 -12.032 1.00 1.99 O ATOM 0 H ASP A 32 -5.079 -6.928 -8.089 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.706 -5.141 -10.405 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.816 -7.649 -10.630 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.417 -7.628 -9.918 1.00 0.69 H new ATOM 463 N LEU A 33 -7.121 -5.021 -8.330 1.00 0.32 N ATOM 464 CA LEU A 33 -8.333 -4.351 -7.920 1.00 0.33 C ATOM 465 C LEU A 33 -8.006 -2.918 -7.557 1.00 0.31 C ATOM 466 O LEU A 33 -6.944 -2.651 -7.017 1.00 0.45 O ATOM 467 CB LEU A 33 -8.927 -5.066 -6.705 1.00 0.40 C ATOM 468 CG LEU A 33 -9.155 -6.575 -6.858 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.738 -7.145 -5.594 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.057 -6.881 -8.042 1.00 0.58 C ATOM 0 H LEU A 33 -6.677 -5.561 -7.587 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.057 -4.368 -8.735 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.266 -4.903 -5.853 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.881 -4.597 -6.463 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.189 -7.043 -7.045 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.895 -8.217 -5.717 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -9.051 -6.971 -4.766 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.691 -6.661 -5.382 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.199 -7.959 -8.123 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.023 -6.398 -7.898 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.597 -6.506 -8.956 1.00 0.58 H new ATOM 482 N ARG A 34 -8.871 -1.996 -7.875 1.00 0.28 N ATOM 483 CA ARG A 34 -8.624 -0.618 -7.510 1.00 0.31 C ATOM 484 C ARG A 34 -8.949 -0.424 -6.040 1.00 0.29 C ATOM 485 O ARG A 34 -9.905 -1.025 -5.538 1.00 0.34 O ATOM 486 CB ARG A 34 -9.444 0.359 -8.352 1.00 0.48 C ATOM 487 CG ARG A 34 -9.182 0.298 -9.849 1.00 0.73 C ATOM 488 CD ARG A 34 -9.974 1.375 -10.582 1.00 1.02 C ATOM 489 NE ARG A 34 -9.517 2.742 -10.247 1.00 1.90 N ATOM 490 CZ ARG A 34 -10.231 3.678 -9.602 1.00 2.41 C ATOM 491 NH1 ARG A 34 -11.429 3.407 -9.103 1.00 2.17 N ATOM 492 NH2 ARG A 34 -9.714 4.881 -9.443 1.00 3.51 N ATOM 0 H ARG A 34 -9.742 -2.163 -8.378 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.572 -0.406 -7.699 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.502 0.167 -8.176 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -9.242 1.372 -8.004 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.117 0.429 -10.042 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.457 -0.685 -10.231 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -9.884 1.219 -11.657 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.031 1.277 -10.333 1.00 1.02 H new ATOM 0 HE ARG A 34 -8.572 2.997 -10.533 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -11.825 2.473 -9.206 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -11.955 4.133 -8.616 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -8.784 5.089 -9.808 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -10.244 5.603 -8.955 1.00 3.51 H new ATOM 506 N PHE A 35 -8.154 0.391 -5.346 1.00 0.30 N ATOM 507 CA PHE A 35 -8.372 0.698 -3.916 1.00 0.34 C ATOM 508 C PHE A 35 -9.824 1.083 -3.619 1.00 0.38 C ATOM 509 O PHE A 35 -10.416 0.634 -2.642 1.00 0.41 O ATOM 510 CB PHE A 35 -7.448 1.814 -3.437 1.00 0.38 C ATOM 511 CG PHE A 35 -5.995 1.443 -3.345 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.499 0.792 -2.234 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.136 1.716 -4.395 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.174 0.424 -2.164 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.808 1.346 -4.333 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.302 0.821 -3.133 1.00 0.44 C ATOM 0 H PHE A 35 -7.342 0.859 -5.749 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.141 -0.219 -3.373 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.548 2.663 -4.113 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.785 2.147 -2.455 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.159 0.568 -1.409 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.509 2.224 -5.272 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -3.825 -0.180 -1.340 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.167 1.459 -5.195 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.236 0.733 -2.980 1.00 0.44 H new ATOM 526 N GLU A 36 -10.382 1.897 -4.481 1.00 0.44 N ATOM 527 CA GLU A 36 -11.762 2.367 -4.373 1.00 0.52 C ATOM 528 C GLU A 36 -12.794 1.224 -4.309 1.00 0.52 C ATOM 529 O GLU A 36 -13.843 1.365 -3.688 1.00 0.58 O ATOM 530 CB GLU A 36 -12.058 3.318 -5.514 1.00 0.64 C ATOM 531 CG GLU A 36 -11.251 4.602 -5.429 1.00 1.23 C ATOM 532 CD GLU A 36 -11.344 5.439 -6.669 1.00 1.60 C ATOM 533 OE1 GLU A 36 -12.351 5.344 -7.399 1.00 1.97 O ATOM 534 OE2 GLU A 36 -10.377 6.157 -6.981 1.00 2.06 O ATOM 0 H GLU A 36 -9.890 2.264 -5.296 1.00 0.44 H new ATOM 0 HA GLU A 36 -11.858 2.893 -3.423 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -11.845 2.821 -6.461 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -13.121 3.560 -5.514 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.598 5.186 -4.577 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -10.206 4.355 -5.242 1.00 1.23 H new ATOM 541 N ASP A 37 -12.463 0.077 -4.885 1.00 0.49 N ATOM 542 CA ASP A 37 -13.388 -1.059 -4.905 1.00 0.55 C ATOM 543 C ASP A 37 -13.318 -1.829 -3.601 1.00 0.55 C ATOM 544 O ASP A 37 -14.297 -2.425 -3.165 1.00 0.66 O ATOM 545 CB ASP A 37 -13.098 -1.991 -6.089 1.00 0.62 C ATOM 546 CG ASP A 37 -13.945 -3.254 -6.068 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.188 -3.161 -6.153 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.389 -4.358 -6.008 1.00 0.86 O ATOM 0 H ASP A 37 -11.568 -0.096 -5.343 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.397 -0.663 -5.024 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.278 -1.454 -7.020 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.043 -2.266 -6.079 1.00 0.62 H new ATOM 553 N ILE A 38 -12.187 -1.756 -2.943 1.00 0.47 N ATOM 554 CA ILE A 38 -12.004 -2.452 -1.681 1.00 0.51 C ATOM 555 C ILE A 38 -12.257 -1.527 -0.489 1.00 0.53 C ATOM 556 O ILE A 38 -11.860 -1.811 0.624 1.00 0.59 O ATOM 557 CB ILE A 38 -10.615 -3.149 -1.565 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.480 -2.139 -1.794 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.528 -4.300 -2.553 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.081 -2.694 -1.642 1.00 0.47 C ATOM 0 H ILE A 38 -11.376 -1.223 -3.256 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.752 -3.245 -1.662 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.505 -3.549 -0.557 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.582 -1.724 -2.797 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.604 -1.313 -1.093 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.554 -4.782 -2.466 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.312 -5.025 -2.337 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.655 -3.920 -3.567 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.354 -1.903 -1.824 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.951 -3.081 -0.631 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.929 -3.499 -2.361 1.00 0.47 H new ATOM 572 N GLY A 39 -12.987 -0.454 -0.742 1.00 0.54 N ATOM 573 CA GLY A 39 -13.378 0.470 0.314 1.00 0.61 C ATOM 574 C GLY A 39 -12.283 1.438 0.727 1.00 0.55 C ATOM 575 O GLY A 39 -12.353 2.044 1.800 1.00 0.69 O ATOM 0 H GLY A 39 -13.322 -0.199 -1.671 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -14.245 1.040 -0.019 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.690 -0.103 1.187 1.00 0.61 H new ATOM 579 N TYR A 40 -11.280 1.597 -0.098 1.00 0.45 N ATOM 580 CA TYR A 40 -10.202 2.503 0.217 1.00 0.48 C ATOM 581 C TYR A 40 -10.402 3.841 -0.436 1.00 0.56 C ATOM 582 O TYR A 40 -10.392 3.964 -1.654 1.00 0.64 O ATOM 583 CB TYR A 40 -8.831 1.896 -0.097 1.00 0.43 C ATOM 584 CG TYR A 40 -8.395 0.870 0.916 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.092 -0.315 1.070 1.00 0.73 C ATOM 586 CD2 TYR A 40 -7.276 1.074 1.699 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.679 -1.261 1.978 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.857 0.143 2.607 1.00 0.99 C ATOM 589 CZ TYR A 40 -7.637 -1.005 2.799 1.00 1.11 C ATOM 590 OH TYR A 40 -7.126 -1.948 3.657 1.00 1.40 O ATOM 0 H TYR A 40 -11.186 1.113 -0.991 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.221 2.670 1.294 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.862 1.434 -1.084 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.089 2.693 -0.141 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.971 -0.499 0.470 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.718 1.992 1.591 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -9.189 -2.211 2.035 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.944 0.289 3.165 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.755 -1.504 4.448 1.00 1.40 H new ATOM 600 N ASP A 41 -10.618 4.818 0.407 1.00 0.74 N ATOM 601 CA ASP A 41 -10.860 6.208 0.041 1.00 0.95 C ATOM 602 C ASP A 41 -9.660 6.868 -0.663 1.00 1.01 C ATOM 603 O ASP A 41 -9.618 6.912 -1.896 1.00 1.89 O ATOM 604 CB ASP A 41 -11.305 7.000 1.290 1.00 1.15 C ATOM 605 CG ASP A 41 -10.437 6.717 2.508 1.00 1.57 C ATOM 606 OD1 ASP A 41 -10.705 5.737 3.238 1.00 2.07 O ATOM 607 OD2 ASP A 41 -9.503 7.503 2.778 1.00 2.16 O ATOM 0 H ASP A 41 -10.633 4.669 1.416 1.00 0.74 H new ATOM 0 HA ASP A 41 -11.663 6.223 -0.696 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -11.275 8.067 1.068 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -12.341 6.752 1.522 1.00 1.15 H new ATOM 612 N SER A 42 -8.677 7.312 0.111 1.00 0.71 N ATOM 613 CA SER A 42 -7.483 7.983 -0.393 1.00 0.66 C ATOM 614 C SER A 42 -6.626 8.401 0.780 1.00 0.49 C ATOM 615 O SER A 42 -5.427 8.182 0.788 1.00 0.45 O ATOM 616 CB SER A 42 -7.852 9.222 -1.210 1.00 0.86 C ATOM 617 OG SER A 42 -8.678 10.122 -0.407 1.00 1.19 O ATOM 0 H SER A 42 -8.687 7.214 1.126 1.00 0.71 H new ATOM 0 HA SER A 42 -6.941 7.293 -1.039 1.00 0.66 H new ATOM 0 HB2 SER A 42 -6.948 9.737 -1.534 1.00 0.86 H new ATOM 0 HB3 SER A 42 -8.391 8.927 -2.111 1.00 0.86 H new ATOM 622 N LEU A 43 -7.258 8.955 1.786 1.00 0.49 N ATOM 623 CA LEU A 43 -6.573 9.345 3.003 1.00 0.49 C ATOM 624 C LEU A 43 -6.063 8.110 3.709 1.00 0.42 C ATOM 625 O LEU A 43 -4.911 8.059 4.138 1.00 0.41 O ATOM 626 CB LEU A 43 -7.499 10.150 3.910 1.00 0.65 C ATOM 627 CG LEU A 43 -7.950 11.492 3.344 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.934 12.164 4.287 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.742 12.388 3.104 1.00 1.03 C ATOM 0 H LEU A 43 -8.259 9.150 1.788 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.726 9.983 2.749 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.382 9.549 4.127 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.991 10.325 4.859 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.453 11.321 2.393 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -9.245 13.120 3.867 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.807 11.524 4.419 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.457 12.330 5.253 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.073 13.345 2.700 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -6.219 12.554 4.046 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.068 11.908 2.394 1.00 1.03 H new ATOM 641 N ALA A 44 -6.907 7.089 3.778 1.00 0.40 N ATOM 642 CA ALA A 44 -6.506 5.810 4.345 1.00 0.38 C ATOM 643 C ALA A 44 -5.403 5.182 3.495 1.00 0.32 C ATOM 644 O ALA A 44 -4.525 4.517 3.998 1.00 0.33 O ATOM 645 CB ALA A 44 -7.692 4.867 4.449 1.00 0.43 C ATOM 0 H ALA A 44 -7.872 7.122 3.449 1.00 0.40 H new ATOM 0 HA ALA A 44 -6.123 5.985 5.350 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.366 3.918 4.876 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.454 5.310 5.090 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.108 4.695 3.456 1.00 0.43 H new ATOM 651 N LEU A 45 -5.458 5.440 2.205 1.00 0.30 N ATOM 652 CA LEU A 45 -4.487 4.917 1.250 1.00 0.28 C ATOM 653 C LEU A 45 -3.108 5.569 1.521 1.00 0.28 C ATOM 654 O LEU A 45 -2.067 4.914 1.480 1.00 0.29 O ATOM 655 CB LEU A 45 -4.987 5.234 -0.160 1.00 0.30 C ATOM 656 CG LEU A 45 -4.551 4.356 -1.303 1.00 0.30 C ATOM 657 CD1 LEU A 45 -5.262 4.791 -2.563 1.00 0.35 C ATOM 658 CD2 LEU A 45 -3.047 4.346 -1.517 1.00 0.37 C ATOM 0 H LEU A 45 -6.180 6.022 1.781 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.375 3.838 1.351 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -6.077 5.223 -0.133 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.685 6.255 -0.395 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.823 3.332 -1.047 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.950 4.158 -3.394 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -6.339 4.700 -2.423 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -5.011 5.829 -2.783 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.803 3.694 -2.355 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.703 5.358 -1.732 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.554 3.979 -0.617 1.00 0.37 H new ATOM 670 N MET A 46 -3.130 6.855 1.827 1.00 0.30 N ATOM 671 CA MET A 46 -1.914 7.613 2.149 1.00 0.34 C ATOM 672 C MET A 46 -1.328 7.103 3.449 1.00 0.34 C ATOM 673 O MET A 46 -0.113 7.011 3.620 1.00 0.40 O ATOM 674 CB MET A 46 -2.239 9.108 2.260 1.00 0.39 C ATOM 675 CG MET A 46 -2.767 9.692 0.970 1.00 0.45 C ATOM 676 SD MET A 46 -3.327 11.396 1.122 1.00 0.68 S ATOM 677 CE MET A 46 -3.955 11.680 -0.535 1.00 1.44 C ATOM 0 H MET A 46 -3.985 7.410 1.862 1.00 0.30 H new ATOM 0 HA MET A 46 -1.183 7.477 1.352 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.976 9.257 3.049 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.341 9.649 2.557 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.985 9.642 0.212 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.594 9.077 0.615 1.00 0.45 H new ATOM 0 HE1 MET A 46 -3.843 12.734 -0.791 1.00 1.44 H new ATOM 0 HE2 MET A 46 -3.395 11.072 -1.246 1.00 1.44 H new ATOM 0 HE3 MET A 46 -5.009 11.407 -0.576 1.00 1.44 H new ATOM 687 N GLU A 47 -2.213 6.728 4.337 1.00 0.32 N ATOM 688 CA GLU A 47 -1.863 6.169 5.615 1.00 0.37 C ATOM 689 C GLU A 47 -1.190 4.798 5.415 1.00 0.32 C ATOM 690 O GLU A 47 -0.246 4.440 6.130 1.00 0.33 O ATOM 691 CB GLU A 47 -3.128 6.065 6.443 1.00 0.45 C ATOM 692 CG GLU A 47 -2.923 5.614 7.866 1.00 0.85 C ATOM 693 CD GLU A 47 -4.207 5.595 8.639 1.00 1.22 C ATOM 694 OE1 GLU A 47 -4.608 6.650 9.183 1.00 1.82 O ATOM 695 OE2 GLU A 47 -4.851 4.526 8.716 1.00 1.89 O ATOM 0 H GLU A 47 -3.219 6.805 4.187 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.149 6.803 6.141 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.618 7.038 6.453 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.809 5.370 5.952 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.482 4.617 7.871 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.213 6.279 8.358 1.00 0.85 H new ATOM 702 N THR A 48 -1.659 4.066 4.413 1.00 0.31 N ATOM 703 CA THR A 48 -1.079 2.793 4.013 1.00 0.30 C ATOM 704 C THR A 48 0.378 3.004 3.602 1.00 0.29 C ATOM 705 O THR A 48 1.288 2.286 4.070 1.00 0.32 O ATOM 706 CB THR A 48 -1.882 2.228 2.821 1.00 0.33 C ATOM 707 OG1 THR A 48 -3.221 1.951 3.234 1.00 0.40 O ATOM 708 CG2 THR A 48 -1.239 0.979 2.249 1.00 0.33 C ATOM 0 H THR A 48 -2.462 4.344 3.849 1.00 0.31 H new ATOM 0 HA THR A 48 -1.117 2.090 4.845 1.00 0.30 H new ATOM 0 HB THR A 48 -1.889 2.980 2.032 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.281 2.009 4.210 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.835 0.613 1.413 1.00 0.33 H new ATOM 0 HG22 THR A 48 -0.233 1.214 1.902 1.00 0.33 H new ATOM 0 HG23 THR A 48 -1.187 0.211 3.020 1.00 0.33 H new ATOM 716 N ALA A 49 0.593 3.987 2.737 1.00 0.29 N ATOM 717 CA ALA A 49 1.919 4.339 2.286 1.00 0.30 C ATOM 718 C ALA A 49 2.810 4.678 3.480 1.00 0.27 C ATOM 719 O ALA A 49 3.905 4.131 3.610 1.00 0.27 O ATOM 720 CB ALA A 49 1.851 5.502 1.313 1.00 0.36 C ATOM 0 H ALA A 49 -0.150 4.557 2.333 1.00 0.29 H new ATOM 0 HA ALA A 49 2.355 3.485 1.767 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.857 5.758 0.981 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.245 5.221 0.452 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.402 6.364 1.807 1.00 0.36 H new ATOM 726 N ALA A 50 2.282 5.515 4.384 1.00 0.29 N ATOM 727 CA ALA A 50 2.988 5.946 5.596 1.00 0.31 C ATOM 728 C ALA A 50 3.438 4.759 6.458 1.00 0.30 C ATOM 729 O ALA A 50 4.489 4.811 7.111 1.00 0.32 O ATOM 730 CB ALA A 50 2.109 6.884 6.407 1.00 0.39 C ATOM 0 H ALA A 50 1.348 5.914 4.293 1.00 0.29 H new ATOM 0 HA ALA A 50 3.887 6.474 5.280 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.643 7.198 7.304 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.861 7.760 5.807 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.192 6.368 6.692 1.00 0.39 H new ATOM 736 N ARG A 51 2.637 3.711 6.483 1.00 0.32 N ATOM 737 CA ARG A 51 2.971 2.493 7.212 1.00 0.37 C ATOM 738 C ARG A 51 4.187 1.800 6.603 1.00 0.32 C ATOM 739 O ARG A 51 5.135 1.452 7.315 1.00 0.36 O ATOM 740 CB ARG A 51 1.757 1.551 7.296 1.00 0.51 C ATOM 741 CG ARG A 51 0.627 2.084 8.179 1.00 1.04 C ATOM 742 CD ARG A 51 0.855 1.827 9.682 1.00 1.15 C ATOM 743 NE ARG A 51 2.219 2.140 10.157 1.00 1.91 N ATOM 744 CZ ARG A 51 2.545 3.083 11.055 1.00 2.60 C ATOM 745 NH1 ARG A 51 1.641 3.939 11.501 1.00 2.86 N ATOM 746 NH2 ARG A 51 3.787 3.148 11.497 1.00 3.47 N ATOM 0 H ARG A 51 1.738 3.675 6.002 1.00 0.32 H new ATOM 0 HA ARG A 51 3.238 2.772 8.231 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.371 1.379 6.291 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.083 0.585 7.682 1.00 0.51 H new ATOM 0 HG2 ARG A 51 0.520 3.156 8.013 1.00 1.04 H new ATOM 0 HG3 ARG A 51 -0.311 1.619 7.876 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.140 2.421 10.252 1.00 1.15 H new ATOM 0 HD3 ARG A 51 0.641 0.780 9.895 1.00 1.15 H new ATOM 0 HE ARG A 51 2.983 1.589 9.766 1.00 1.91 H new ATOM 0 HH11 ARG A 51 0.680 3.888 11.163 1.00 2.86 H new ATOM 0 HH12 ARG A 51 1.905 4.650 12.183 1.00 2.86 H new ATOM 0 HH21 ARG A 51 4.485 2.487 11.156 1.00 3.47 H new ATOM 0 HH22 ARG A 51 4.049 3.859 12.179 1.00 3.47 H new ATOM 760 N LEU A 52 4.178 1.633 5.291 1.00 0.27 N ATOM 761 CA LEU A 52 5.304 1.011 4.593 1.00 0.25 C ATOM 762 C LEU A 52 6.549 1.886 4.678 1.00 0.21 C ATOM 763 O LEU A 52 7.674 1.376 4.811 1.00 0.23 O ATOM 764 CB LEU A 52 4.950 0.685 3.140 1.00 0.29 C ATOM 765 CG LEU A 52 3.847 -0.355 2.957 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.509 -0.524 1.494 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.272 -1.691 3.556 1.00 0.44 C ATOM 0 H LEU A 52 3.409 1.917 4.684 1.00 0.27 H new ATOM 0 HA LEU A 52 5.524 0.068 5.093 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.646 1.605 2.642 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.849 0.331 2.635 1.00 0.29 H new ATOM 0 HG LEU A 52 2.957 -0.003 3.479 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.721 -1.269 1.386 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.166 0.428 1.087 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.395 -0.852 0.951 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.475 -2.422 3.418 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.176 -2.042 3.059 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.469 -1.566 4.621 1.00 0.44 H new ATOM 779 N GLU A 53 6.344 3.198 4.612 1.00 0.19 N ATOM 780 CA GLU A 53 7.418 4.166 4.773 1.00 0.19 C ATOM 781 C GLU A 53 8.087 3.984 6.119 1.00 0.23 C ATOM 782 O GLU A 53 9.311 3.947 6.213 1.00 0.26 O ATOM 783 CB GLU A 53 6.895 5.588 4.671 1.00 0.22 C ATOM 784 CG GLU A 53 6.362 5.990 3.314 1.00 0.25 C ATOM 785 CD GLU A 53 5.850 7.404 3.314 1.00 0.33 C ATOM 786 OE1 GLU A 53 6.648 8.339 3.211 1.00 0.38 O ATOM 787 OE2 GLU A 53 4.621 7.605 3.406 1.00 0.49 O ATOM 0 H GLU A 53 5.429 3.617 4.446 1.00 0.19 H new ATOM 0 HA GLU A 53 8.139 3.996 3.973 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.101 5.718 5.407 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.698 6.272 4.944 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.151 5.889 2.569 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.559 5.312 3.023 1.00 0.25 H new ATOM 794 N SER A 54 7.272 3.842 7.143 1.00 0.31 N ATOM 795 CA SER A 54 7.738 3.680 8.494 1.00 0.40 C ATOM 796 C SER A 54 8.582 2.401 8.620 1.00 0.36 C ATOM 797 O SER A 54 9.744 2.464 9.016 1.00 0.39 O ATOM 798 CB SER A 54 6.532 3.653 9.448 1.00 0.53 C ATOM 799 OG SER A 54 6.909 3.733 10.818 1.00 1.17 O ATOM 0 H SER A 54 6.256 3.836 7.054 1.00 0.31 H new ATOM 0 HA SER A 54 8.376 4.521 8.765 1.00 0.40 H new ATOM 0 HB2 SER A 54 5.868 4.484 9.210 1.00 0.53 H new ATOM 0 HB3 SER A 54 5.966 2.736 9.285 1.00 0.53 H new ATOM 0 HG SER A 54 6.200 4.179 11.327 1.00 1.17 H new ATOM 805 N ARG A 55 8.016 1.260 8.238 1.00 0.35 N ATOM 806 CA ARG A 55 8.719 -0.011 8.372 1.00 0.37 C ATOM 807 C ARG A 55 9.973 -0.102 7.468 1.00 0.31 C ATOM 808 O ARG A 55 11.051 -0.501 7.924 1.00 0.36 O ATOM 809 CB ARG A 55 7.796 -1.215 8.087 1.00 0.48 C ATOM 810 CG ARG A 55 8.500 -2.551 8.328 1.00 0.61 C ATOM 811 CD ARG A 55 7.750 -3.753 7.773 1.00 0.85 C ATOM 812 NE ARG A 55 6.489 -4.070 8.438 1.00 1.35 N ATOM 813 CZ ARG A 55 5.815 -5.219 8.245 1.00 2.03 C ATOM 814 NH1 ARG A 55 6.147 -6.034 7.222 1.00 2.37 N ATOM 815 NH2 ARG A 55 4.783 -5.522 9.026 1.00 2.81 N ATOM 0 H ARG A 55 7.081 1.189 7.837 1.00 0.35 H new ATOM 0 HA ARG A 55 9.045 -0.050 9.411 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.912 -1.152 8.722 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.450 -1.169 7.054 1.00 0.48 H new ATOM 0 HG2 ARG A 55 9.492 -2.514 7.877 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.642 -2.687 9.400 1.00 0.61 H new ATOM 0 HD2 ARG A 55 7.549 -3.577 6.716 1.00 0.85 H new ATOM 0 HD3 ARG A 55 8.401 -4.625 7.833 1.00 0.85 H new ATOM 0 HE ARG A 55 6.098 -3.384 9.083 1.00 1.35 H new ATOM 0 HH11 ARG A 55 6.909 -5.780 6.594 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.636 -6.904 7.077 1.00 2.37 H new ATOM 0 HH21 ARG A 55 4.502 -4.884 9.771 1.00 2.81 H new ATOM 0 HH22 ARG A 55 4.272 -6.392 8.881 1.00 2.81 H new ATOM 829 N TYR A 56 9.845 0.285 6.211 1.00 0.28 N ATOM 830 CA TYR A 56 10.921 0.046 5.246 1.00 0.31 C ATOM 831 C TYR A 56 11.863 1.221 5.021 1.00 0.33 C ATOM 832 O TYR A 56 12.937 1.042 4.465 1.00 0.43 O ATOM 833 CB TYR A 56 10.364 -0.502 3.926 1.00 0.34 C ATOM 834 CG TYR A 56 9.638 -1.809 4.125 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.339 -2.959 4.454 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.255 -1.885 4.042 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.691 -4.150 4.682 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.594 -3.072 4.284 1.00 0.57 C ATOM 839 CZ TYR A 56 8.323 -4.207 4.599 1.00 0.66 C ATOM 840 OH TYR A 56 7.675 -5.392 4.888 1.00 0.80 O ATOM 0 H TYR A 56 9.025 0.758 5.832 1.00 0.28 H new ATOM 0 HA TYR A 56 11.552 -0.715 5.706 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.684 0.228 3.487 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.180 -0.644 3.218 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.415 -2.918 4.533 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.688 -1.003 3.784 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.257 -5.037 4.925 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.516 -3.116 4.228 1.00 0.57 H new ATOM 0 HH TYR A 56 7.576 -5.919 4.068 1.00 0.80 H new ATOM 850 N GLY A 57 11.486 2.394 5.455 1.00 0.31 N ATOM 851 CA GLY A 57 12.365 3.547 5.300 1.00 0.38 C ATOM 852 C GLY A 57 12.233 4.188 3.935 1.00 0.38 C ATOM 853 O GLY A 57 13.185 4.781 3.416 1.00 0.53 O ATOM 0 H GLY A 57 10.595 2.586 5.912 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.134 4.284 6.069 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.398 3.237 5.456 1.00 0.38 H new ATOM 857 N VAL A 58 11.059 4.077 3.364 1.00 0.37 N ATOM 858 CA VAL A 58 10.769 4.634 2.052 1.00 0.37 C ATOM 859 C VAL A 58 10.034 5.958 2.213 1.00 0.34 C ATOM 860 O VAL A 58 9.756 6.369 3.343 1.00 0.33 O ATOM 861 CB VAL A 58 9.953 3.661 1.140 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.636 2.319 1.051 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.526 3.483 1.630 1.00 0.33 C ATOM 0 H VAL A 58 10.269 3.596 3.793 1.00 0.37 H new ATOM 0 HA VAL A 58 11.723 4.795 1.549 1.00 0.37 H new ATOM 0 HB VAL A 58 9.912 4.111 0.148 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.053 1.656 0.412 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.633 2.445 0.629 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.716 1.885 2.048 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.996 2.799 0.967 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.537 3.073 2.640 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.020 4.448 1.635 1.00 0.33 H new ATOM 873 N SER A 59 9.742 6.623 1.130 1.00 0.37 N ATOM 874 CA SER A 59 9.011 7.851 1.182 1.00 0.41 C ATOM 875 C SER A 59 8.036 7.896 0.006 1.00 0.38 C ATOM 876 O SER A 59 8.429 7.764 -1.162 1.00 0.47 O ATOM 877 CB SER A 59 9.982 9.041 1.153 1.00 0.56 C ATOM 878 OG SER A 59 9.309 10.291 1.293 1.00 1.54 O ATOM 0 H SER A 59 10.005 6.327 0.190 1.00 0.37 H new ATOM 0 HA SER A 59 8.442 7.912 2.110 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.712 8.932 1.955 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.536 9.032 0.215 1.00 0.56 H new ATOM 0 HG SER A 59 9.964 11.020 1.271 1.00 1.54 H new ATOM 884 N ILE A 60 6.772 8.029 0.321 1.00 0.31 N ATOM 885 CA ILE A 60 5.727 8.067 -0.676 1.00 0.31 C ATOM 886 C ILE A 60 4.958 9.367 -0.515 1.00 0.34 C ATOM 887 O ILE A 60 4.294 9.572 0.510 1.00 0.40 O ATOM 888 CB ILE A 60 4.720 6.875 -0.529 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.436 5.507 -0.561 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.639 6.938 -1.615 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.175 5.206 -1.853 1.00 0.59 C ATOM 0 H ILE A 60 6.435 8.114 1.280 1.00 0.31 H new ATOM 0 HA ILE A 60 6.196 7.991 -1.657 1.00 0.31 H new ATOM 0 HB ILE A 60 4.244 6.975 0.447 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.145 5.464 0.265 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.699 4.723 -0.389 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.952 6.101 -1.493 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.089 7.875 -1.527 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.107 6.883 -2.598 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.646 4.226 -1.783 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.471 5.211 -2.685 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.940 5.965 -2.020 1.00 0.59 H new ATOM 903 N PRO A 61 5.064 10.275 -1.484 1.00 0.37 N ATOM 904 CA PRO A 61 4.342 11.540 -1.455 1.00 0.45 C ATOM 905 C PRO A 61 2.826 11.319 -1.474 1.00 0.41 C ATOM 906 O PRO A 61 2.326 10.397 -2.156 1.00 0.35 O ATOM 907 CB PRO A 61 4.796 12.248 -2.740 1.00 0.54 C ATOM 908 CG PRO A 61 6.068 11.579 -3.115 1.00 0.56 C ATOM 909 CD PRO A 61 5.921 10.160 -2.675 1.00 0.43 C ATOM 0 HA PRO A 61 4.548 12.114 -0.551 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.051 12.151 -3.529 1.00 0.54 H new ATOM 0 HB3 PRO A 61 4.945 13.315 -2.572 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.241 11.640 -4.189 1.00 0.56 H new ATOM 0 HG3 PRO A 61 6.919 12.054 -2.628 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.461 9.543 -3.447 1.00 0.43 H new ATOM 0 HD3 PRO A 61 6.884 9.708 -2.438 1.00 0.43 H new ATOM 917 N ASP A 62 2.109 12.164 -0.741 1.00 0.51 N ATOM 918 CA ASP A 62 0.633 12.112 -0.619 1.00 0.55 C ATOM 919 C ASP A 62 -0.043 12.106 -1.975 1.00 0.45 C ATOM 920 O ASP A 62 -1.033 11.407 -2.185 1.00 0.46 O ATOM 921 CB ASP A 62 0.090 13.310 0.178 1.00 0.77 C ATOM 922 CG ASP A 62 0.446 13.305 1.646 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.510 13.846 2.021 1.00 1.64 O ATOM 924 OD2 ASP A 62 -0.347 12.802 2.457 1.00 1.99 O ATOM 0 H ASP A 62 2.531 12.920 -0.202 1.00 0.51 H new ATOM 0 HA ASP A 62 0.408 11.184 -0.093 1.00 0.55 H new ATOM 0 HB2 ASP A 62 0.468 14.229 -0.270 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.995 13.331 0.081 1.00 0.77 H new ATOM 929 N ASP A 63 0.529 12.834 -2.910 1.00 0.44 N ATOM 930 CA ASP A 63 -0.040 12.956 -4.251 1.00 0.45 C ATOM 931 C ASP A 63 0.085 11.673 -5.019 1.00 0.40 C ATOM 932 O ASP A 63 -0.786 11.332 -5.783 1.00 0.48 O ATOM 933 CB ASP A 63 0.622 14.080 -5.045 1.00 0.58 C ATOM 934 CG ASP A 63 0.211 15.450 -4.593 1.00 1.37 C ATOM 935 OD1 ASP A 63 0.786 15.978 -3.630 1.00 2.18 O ATOM 936 OD2 ASP A 63 -0.698 16.023 -5.189 1.00 1.66 O ATOM 0 H ASP A 63 1.394 13.357 -2.772 1.00 0.44 H new ATOM 0 HA ASP A 63 -1.096 13.192 -4.118 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.705 13.987 -4.959 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.375 13.964 -6.100 1.00 0.58 H new ATOM 941 N VAL A 64 1.157 10.952 -4.786 1.00 0.34 N ATOM 942 CA VAL A 64 1.380 9.683 -5.468 1.00 0.37 C ATOM 943 C VAL A 64 0.510 8.620 -4.824 1.00 0.36 C ATOM 944 O VAL A 64 -0.054 7.762 -5.502 1.00 0.43 O ATOM 945 CB VAL A 64 2.859 9.260 -5.407 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.091 8.025 -6.264 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.765 10.394 -5.861 1.00 0.50 C ATOM 0 H VAL A 64 1.893 11.216 -4.131 1.00 0.34 H new ATOM 0 HA VAL A 64 1.116 9.801 -6.519 1.00 0.37 H new ATOM 0 HB VAL A 64 3.103 9.021 -4.372 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.141 7.738 -6.211 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.472 7.206 -5.898 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.827 8.245 -7.298 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.805 10.072 -5.809 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.520 10.667 -6.888 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.620 11.258 -5.212 1.00 0.50 H new ATOM 957 N ALA A 65 0.405 8.690 -3.510 1.00 0.35 N ATOM 958 CA ALA A 65 -0.459 7.803 -2.755 1.00 0.39 C ATOM 959 C ALA A 65 -1.915 7.953 -3.227 1.00 0.41 C ATOM 960 O ALA A 65 -2.653 6.998 -3.278 1.00 0.45 O ATOM 961 CB ALA A 65 -0.322 8.080 -1.274 1.00 0.44 C ATOM 0 H ALA A 65 0.915 9.362 -2.937 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.158 6.770 -2.930 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.975 7.409 -0.716 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.712 7.918 -0.968 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.604 9.113 -1.069 1.00 0.44 H new ATOM 967 N GLY A 66 -2.291 9.162 -3.607 1.00 0.47 N ATOM 968 CA GLY A 66 -3.615 9.392 -4.154 1.00 0.55 C ATOM 969 C GLY A 66 -3.599 9.388 -5.680 1.00 0.58 C ATOM 970 O GLY A 66 -4.393 10.081 -6.324 1.00 0.81 O ATOM 0 H GLY A 66 -1.703 9.993 -3.547 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.297 8.622 -3.794 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.997 10.348 -3.796 1.00 0.55 H new ATOM 974 N ARG A 67 -2.677 8.630 -6.247 1.00 0.54 N ATOM 975 CA ARG A 67 -2.523 8.525 -7.698 1.00 0.61 C ATOM 976 C ARG A 67 -2.405 7.050 -8.121 1.00 0.52 C ATOM 977 O ARG A 67 -2.539 6.703 -9.306 1.00 0.59 O ATOM 978 CB ARG A 67 -1.282 9.333 -8.140 1.00 0.75 C ATOM 979 CG ARG A 67 -0.985 9.350 -9.635 1.00 1.32 C ATOM 980 CD ARG A 67 -2.169 9.839 -10.444 1.00 1.55 C ATOM 981 NE ARG A 67 -2.649 11.166 -10.022 1.00 1.97 N ATOM 982 CZ ARG A 67 -3.735 11.778 -10.509 1.00 2.53 C ATOM 983 NH1 ARG A 67 -4.371 11.290 -11.568 1.00 2.73 N ATOM 984 NH2 ARG A 67 -4.167 12.900 -9.958 1.00 3.33 N ATOM 0 H ARG A 67 -2.010 8.067 -5.719 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.404 8.939 -8.188 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.407 10.362 -7.804 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.410 8.932 -7.622 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -0.125 9.992 -9.826 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -0.712 8.347 -9.962 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -1.891 9.878 -11.497 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -2.983 9.120 -10.356 1.00 1.55 H new ATOM 0 HE ARG A 67 -2.114 11.655 -9.305 1.00 1.97 H new ATOM 0 HH11 ARG A 67 -4.033 10.440 -12.019 1.00 2.73 H new ATOM 0 HH12 ARG A 67 -5.198 11.765 -11.930 1.00 2.73 H new ATOM 0 HH21 ARG A 67 -3.672 13.300 -9.161 1.00 3.33 H new ATOM 0 HH22 ARG A 67 -4.995 13.365 -10.330 1.00 3.33 H new ATOM 998 N VAL A 68 -2.114 6.205 -7.178 1.00 0.43 N ATOM 999 CA VAL A 68 -2.055 4.779 -7.412 1.00 0.39 C ATOM 1000 C VAL A 68 -3.459 4.159 -7.349 1.00 0.35 C ATOM 1001 O VAL A 68 -4.115 4.188 -6.320 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.064 4.075 -6.436 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.360 4.396 -6.850 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.271 4.537 -5.000 1.00 0.36 C ATOM 0 H VAL A 68 -1.909 6.479 -6.217 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.668 4.620 -8.418 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.249 3.002 -6.485 1.00 0.39 H new ATOM 0 HG11 VAL A 68 1.056 3.905 -6.170 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.533 4.039 -7.865 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.515 5.474 -6.813 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.563 4.026 -4.348 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.110 5.613 -4.937 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.288 4.303 -4.686 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.921 3.645 -8.477 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.262 3.042 -8.565 1.00 0.41 C ATOM 1016 C ASP A 69 -5.223 1.628 -8.083 1.00 0.28 C ATOM 1017 O ASP A 69 -6.089 1.192 -7.317 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.786 3.034 -10.017 1.00 0.62 C ATOM 1019 CG ASP A 69 -6.185 4.385 -10.544 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -5.300 5.244 -10.735 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -7.384 4.635 -10.743 1.00 1.76 O ATOM 0 H ASP A 69 -3.395 3.628 -9.351 1.00 0.33 H new ATOM 0 HA ASP A 69 -5.926 3.644 -7.945 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.015 2.618 -10.666 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.646 2.367 -10.076 1.00 0.62 H new ATOM 1026 N THR A 70 -4.245 0.908 -8.534 1.00 0.30 N ATOM 1027 CA THR A 70 -4.065 -0.445 -8.150 1.00 0.27 C ATOM 1028 C THR A 70 -2.922 -0.549 -7.139 1.00 0.24 C ATOM 1029 O THR A 70 -1.923 0.186 -7.236 1.00 0.25 O ATOM 1030 CB THR A 70 -3.773 -1.299 -9.397 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.734 -0.668 -10.164 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.023 -1.434 -10.253 1.00 0.36 C ATOM 0 H THR A 70 -3.543 1.254 -9.188 1.00 0.30 H new ATOM 0 HA THR A 70 -4.975 -0.817 -7.679 1.00 0.27 H new ATOM 0 HB THR A 70 -3.456 -2.293 -9.082 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.541 -1.207 -10.959 1.00 0.44 H new ATOM 0 HG21 THR A 70 -4.799 -2.041 -11.131 1.00 0.36 H new ATOM 0 HG22 THR A 70 -5.812 -1.913 -9.672 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.355 -0.446 -10.570 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.050 -1.434 -6.134 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.006 -1.658 -5.135 1.00 0.22 C ATOM 1042 C PRO A 71 -0.709 -2.120 -5.779 1.00 0.22 C ATOM 1043 O PRO A 71 0.364 -1.919 -5.229 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.589 -2.755 -4.245 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.055 -2.632 -4.434 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.239 -2.245 -5.861 1.00 0.23 C ATOM 0 HA PRO A 71 -1.753 -0.750 -4.587 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.230 -3.741 -4.540 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.308 -2.613 -3.201 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.560 -3.573 -4.214 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.476 -1.881 -3.766 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.292 -3.117 -6.513 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.158 -1.678 -6.011 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.830 -2.748 -6.944 1.00 0.24 N ATOM 1055 CA ARG A 72 0.309 -3.191 -7.741 1.00 0.28 C ATOM 1056 C ARG A 72 1.269 -2.006 -7.999 1.00 0.27 C ATOM 1057 O ARG A 72 2.485 -2.137 -7.883 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.195 -3.801 -9.049 1.00 0.40 C ATOM 1059 CG ARG A 72 0.836 -4.596 -9.822 1.00 0.70 C ATOM 1060 CD ARG A 72 0.187 -5.286 -11.005 1.00 0.74 C ATOM 1061 NE ARG A 72 1.098 -6.200 -11.692 1.00 1.18 N ATOM 1062 CZ ARG A 72 0.773 -6.959 -12.750 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -0.481 -6.999 -13.187 1.00 1.88 N ATOM 1064 NH2 ARG A 72 1.700 -7.695 -13.348 1.00 2.72 N ATOM 0 H ARG A 72 -1.732 -2.966 -7.366 1.00 0.24 H new ATOM 0 HA ARG A 72 0.867 -3.955 -7.199 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.042 -4.451 -8.827 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.567 -2.999 -9.687 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.630 -3.935 -10.168 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.299 -5.336 -9.169 1.00 0.70 H new ATOM 0 HD2 ARG A 72 -0.688 -5.839 -10.663 1.00 0.74 H new ATOM 0 HD3 ARG A 72 -0.167 -4.534 -11.710 1.00 0.74 H new ATOM 0 HE ARG A 72 2.053 -6.266 -11.340 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.202 -6.451 -12.718 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -0.722 -7.578 -13.992 1.00 1.88 H new ATOM 0 HH21 ARG A 72 2.660 -7.684 -13.004 1.00 2.72 H new ATOM 0 HH22 ARG A 72 1.453 -8.272 -14.152 1.00 2.72 H new ATOM 1078 N GLU A 73 0.688 -0.844 -8.297 1.00 0.24 N ATOM 1079 CA GLU A 73 1.440 0.386 -8.522 1.00 0.26 C ATOM 1080 C GLU A 73 2.147 0.841 -7.242 1.00 0.25 C ATOM 1081 O GLU A 73 3.291 1.288 -7.280 1.00 0.32 O ATOM 1082 CB GLU A 73 0.512 1.490 -9.028 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.090 1.218 -10.391 1.00 0.50 C ATOM 1084 CD GLU A 73 0.933 1.255 -11.497 1.00 1.41 C ATOM 1085 OE1 GLU A 73 1.683 0.293 -11.671 1.00 2.21 O ATOM 1086 OE2 GLU A 73 0.985 2.261 -12.227 1.00 1.82 O ATOM 0 H GLU A 73 -0.322 -0.731 -8.389 1.00 0.24 H new ATOM 0 HA GLU A 73 2.198 0.184 -9.278 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.295 1.630 -8.308 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.068 2.426 -9.069 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.574 0.241 -10.382 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.866 1.956 -10.595 1.00 0.50 H new ATOM 1093 N LEU A 74 1.470 0.693 -6.113 1.00 0.23 N ATOM 1094 CA LEU A 74 2.022 1.098 -4.823 1.00 0.26 C ATOM 1095 C LEU A 74 3.168 0.133 -4.470 1.00 0.25 C ATOM 1096 O LEU A 74 4.216 0.546 -3.962 1.00 0.28 O ATOM 1097 CB LEU A 74 0.892 1.087 -3.749 1.00 0.28 C ATOM 1098 CG LEU A 74 1.113 1.879 -2.425 1.00 0.31 C ATOM 1099 CD1 LEU A 74 -0.167 1.894 -1.613 1.00 1.01 C ATOM 1100 CD2 LEU A 74 2.229 1.298 -1.576 1.00 1.11 C ATOM 0 H LEU A 74 0.533 0.294 -6.061 1.00 0.23 H new ATOM 0 HA LEU A 74 2.421 2.112 -4.862 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.014 1.472 -4.218 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.697 0.048 -3.484 1.00 0.28 H new ATOM 0 HG LEU A 74 1.401 2.892 -2.707 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -0.005 2.449 -0.689 1.00 1.01 H new ATOM 0 HD12 LEU A 74 -0.958 2.372 -2.190 1.00 1.01 H new ATOM 0 HD13 LEU A 74 -0.459 0.871 -1.375 1.00 1.01 H new ATOM 0 HD21 LEU A 74 2.339 1.888 -0.666 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.988 0.268 -1.313 1.00 1.11 H new ATOM 0 HD23 LEU A 74 3.163 1.320 -2.138 1.00 1.11 H new ATOM 1112 N LEU A 75 2.962 -1.141 -4.784 1.00 0.24 N ATOM 1113 CA LEU A 75 3.968 -2.182 -4.618 1.00 0.28 C ATOM 1114 C LEU A 75 5.229 -1.779 -5.378 1.00 0.28 C ATOM 1115 O LEU A 75 6.336 -1.762 -4.819 1.00 0.30 O ATOM 1116 CB LEU A 75 3.435 -3.515 -5.171 1.00 0.32 C ATOM 1117 CG LEU A 75 4.342 -4.732 -5.006 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.464 -5.102 -3.550 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.824 -5.903 -5.814 1.00 0.48 C ATOM 0 H LEU A 75 2.080 -1.484 -5.166 1.00 0.24 H new ATOM 0 HA LEU A 75 4.198 -2.304 -3.559 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.484 -3.730 -4.685 1.00 0.32 H new ATOM 0 HB3 LEU A 75 3.228 -3.385 -6.233 1.00 0.32 H new ATOM 0 HG LEU A 75 5.332 -4.475 -5.382 1.00 0.39 H new ATOM 0 HD11 LEU A 75 5.114 -5.971 -3.449 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.889 -4.265 -2.996 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.478 -5.338 -3.151 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.486 -6.758 -5.681 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.822 -6.164 -5.475 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.791 -5.631 -6.869 1.00 0.48 H new ATOM 1131 N ASP A 76 5.029 -1.410 -6.644 1.00 0.28 N ATOM 1132 CA ASP A 76 6.098 -0.945 -7.535 1.00 0.33 C ATOM 1133 C ASP A 76 6.834 0.263 -6.958 1.00 0.30 C ATOM 1134 O ASP A 76 8.065 0.341 -7.036 1.00 0.32 O ATOM 1135 CB ASP A 76 5.530 -0.610 -8.920 1.00 0.43 C ATOM 1136 CG ASP A 76 6.538 0.064 -9.828 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.443 -0.626 -10.342 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.456 1.302 -10.034 1.00 0.68 O ATOM 0 H ASP A 76 4.110 -1.425 -7.087 1.00 0.28 H new ATOM 0 HA ASP A 76 6.821 -1.755 -7.631 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.179 -1.527 -9.394 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.663 0.040 -8.803 1.00 0.43 H new ATOM 1143 N LEU A 77 6.084 1.174 -6.345 1.00 0.29 N ATOM 1144 CA LEU A 77 6.660 2.366 -5.718 1.00 0.30 C ATOM 1145 C LEU A 77 7.635 1.966 -4.628 1.00 0.28 C ATOM 1146 O LEU A 77 8.798 2.384 -4.634 1.00 0.35 O ATOM 1147 CB LEU A 77 5.574 3.240 -5.091 1.00 0.35 C ATOM 1148 CG LEU A 77 4.556 3.869 -6.022 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.522 4.613 -5.206 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.238 4.811 -7.002 1.00 0.45 C ATOM 0 H LEU A 77 5.069 1.111 -6.267 1.00 0.29 H new ATOM 0 HA LEU A 77 7.173 2.929 -6.498 1.00 0.30 H new ATOM 0 HB2 LEU A 77 5.034 2.635 -4.363 1.00 0.35 H new ATOM 0 HB3 LEU A 77 6.065 4.041 -4.539 1.00 0.35 H new ATOM 0 HG LEU A 77 4.064 3.084 -6.596 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.789 5.066 -5.873 1.00 0.49 H new ATOM 0 HD12 LEU A 77 3.020 3.917 -4.534 1.00 0.49 H new ATOM 0 HD13 LEU A 77 4.011 5.392 -4.622 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.491 5.253 -7.662 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.749 5.601 -6.452 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.964 4.255 -7.596 1.00 0.45 H new ATOM 1162 N ILE A 78 7.168 1.129 -3.713 1.00 0.27 N ATOM 1163 CA ILE A 78 7.985 0.684 -2.596 1.00 0.29 C ATOM 1164 C ILE A 78 9.186 -0.087 -3.119 1.00 0.30 C ATOM 1165 O ILE A 78 10.309 0.195 -2.742 1.00 0.31 O ATOM 1166 CB ILE A 78 7.193 -0.223 -1.620 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.886 0.453 -1.175 1.00 0.31 C ATOM 1168 CG2 ILE A 78 8.057 -0.559 -0.394 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.064 1.769 -0.446 1.00 0.38 C ATOM 0 H ILE A 78 6.224 0.744 -3.723 1.00 0.27 H new ATOM 0 HA ILE A 78 8.304 1.572 -2.051 1.00 0.29 H new ATOM 0 HB ILE A 78 6.938 -1.145 -2.143 1.00 0.30 H new ATOM 0 HG12 ILE A 78 5.264 0.623 -2.054 1.00 0.31 H new ATOM 0 HG13 ILE A 78 5.341 -0.234 -0.527 1.00 0.31 H new ATOM 0 HG21 ILE A 78 7.492 -1.197 0.286 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.958 -1.081 -0.716 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.335 0.362 0.119 1.00 0.38 H new ATOM 0 HD11 ILE A 78 5.087 2.169 -0.173 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.656 1.609 0.455 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.577 2.478 -1.095 1.00 0.38 H new ATOM 1181 N ASN A 79 8.937 -1.039 -4.024 1.00 0.34 N ATOM 1182 CA ASN A 79 10.013 -1.877 -4.594 1.00 0.41 C ATOM 1183 C ASN A 79 11.078 -1.025 -5.279 1.00 0.38 C ATOM 1184 O ASN A 79 12.270 -1.334 -5.205 1.00 0.42 O ATOM 1185 CB ASN A 79 9.480 -2.947 -5.577 1.00 0.53 C ATOM 1186 CG ASN A 79 8.735 -4.131 -4.932 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.761 -5.234 -5.448 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.075 -3.925 -3.818 1.00 0.63 N ATOM 0 H ASN A 79 8.006 -1.253 -4.381 1.00 0.34 H new ATOM 0 HA ASN A 79 10.465 -2.400 -3.751 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.809 -2.461 -6.286 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.320 -3.339 -6.150 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.575 -4.694 -3.372 1.00 0.63 H new ATOM 0 HD22 ASN A 79 8.062 -2.996 -3.397 1.00 0.63 H new ATOM 1195 N GLY A 80 10.646 0.047 -5.927 1.00 0.38 N ATOM 1196 CA GLY A 80 11.570 0.966 -6.567 1.00 0.42 C ATOM 1197 C GLY A 80 12.398 1.725 -5.549 1.00 0.38 C ATOM 1198 O GLY A 80 13.605 1.854 -5.693 1.00 0.46 O ATOM 0 H GLY A 80 9.662 0.300 -6.022 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.231 0.413 -7.234 1.00 0.42 H new ATOM 0 HA3 GLY A 80 11.013 1.672 -7.183 1.00 0.42 H new ATOM 1202 N ALA A 81 11.754 2.152 -4.476 1.00 0.31 N ATOM 1203 CA ALA A 81 12.414 2.910 -3.415 1.00 0.32 C ATOM 1204 C ALA A 81 13.402 2.027 -2.668 1.00 0.33 C ATOM 1205 O ALA A 81 14.470 2.481 -2.232 1.00 0.45 O ATOM 1206 CB ALA A 81 11.379 3.461 -2.459 1.00 0.33 C ATOM 0 H ALA A 81 10.761 1.986 -4.312 1.00 0.31 H new ATOM 0 HA ALA A 81 12.962 3.739 -3.863 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.876 4.025 -1.670 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.697 4.117 -3.000 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.817 2.638 -2.017 1.00 0.33 H new ATOM 1212 N LEU A 82 13.041 0.763 -2.537 1.00 0.29 N ATOM 1213 CA LEU A 82 13.898 -0.249 -1.937 1.00 0.36 C ATOM 1214 C LEU A 82 15.130 -0.442 -2.804 1.00 0.46 C ATOM 1215 O LEU A 82 16.260 -0.554 -2.303 1.00 0.61 O ATOM 1216 CB LEU A 82 13.135 -1.574 -1.822 1.00 0.42 C ATOM 1217 CG LEU A 82 11.907 -1.568 -0.917 1.00 0.55 C ATOM 1218 CD1 LEU A 82 11.150 -2.869 -1.042 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.311 -1.331 0.523 1.00 0.67 C ATOM 0 H LEU A 82 12.137 0.405 -2.846 1.00 0.29 H new ATOM 0 HA LEU A 82 14.200 0.076 -0.941 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.823 -1.877 -2.821 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.825 -2.336 -1.459 1.00 0.42 H new ATOM 0 HG LEU A 82 11.253 -0.755 -1.232 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.277 -2.846 -0.389 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.828 -3.005 -2.074 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.798 -3.696 -0.753 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.423 -1.330 1.155 1.00 0.67 H new ATOM 0 HD22 LEU A 82 12.985 -2.124 0.847 1.00 0.67 H new ATOM 0 HD23 LEU A 82 12.816 -0.369 0.606 1.00 0.67 H new ATOM 1231 N ALA A 83 14.903 -0.465 -4.109 1.00 0.54 N ATOM 1232 CA ALA A 83 15.968 -0.597 -5.086 1.00 0.69 C ATOM 1233 C ALA A 83 16.912 0.590 -4.998 1.00 0.73 C ATOM 1234 O ALA A 83 18.129 0.432 -5.144 1.00 0.84 O ATOM 1235 CB ALA A 83 15.406 -0.742 -6.495 1.00 0.88 C ATOM 0 H ALA A 83 13.972 -0.392 -4.519 1.00 0.54 H new ATOM 0 HA ALA A 83 16.529 -1.504 -4.860 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.227 -0.839 -7.206 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.775 -1.630 -6.546 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.814 0.139 -6.743 1.00 0.88 H new ATOM 1241 N GLU A 84 16.351 1.775 -4.748 1.00 0.82 N ATOM 1242 CA GLU A 84 17.143 2.980 -4.546 1.00 1.07 C ATOM 1243 C GLU A 84 18.038 2.811 -3.312 1.00 1.53 C ATOM 1244 O GLU A 84 19.244 2.546 -3.433 1.00 1.82 O ATOM 1245 CB GLU A 84 16.254 4.223 -4.365 1.00 1.50 C ATOM 1246 CG GLU A 84 15.313 4.533 -5.512 1.00 2.18 C ATOM 1247 CD GLU A 84 14.542 5.808 -5.273 1.00 2.92 C ATOM 1248 OE1 GLU A 84 13.600 5.815 -4.456 1.00 3.64 O ATOM 1249 OE2 GLU A 84 14.891 6.850 -5.875 1.00 3.21 O ATOM 0 H GLU A 84 15.344 1.921 -4.681 1.00 0.82 H new ATOM 0 HA GLU A 84 17.754 3.128 -5.436 1.00 1.07 H new ATOM 0 HB2 GLU A 84 15.662 4.094 -3.459 1.00 1.50 H new ATOM 0 HB3 GLU A 84 16.899 5.087 -4.205 1.00 1.50 H new ATOM 0 HG2 GLU A 84 15.883 4.621 -6.437 1.00 2.18 H new ATOM 0 HG3 GLU A 84 14.616 3.706 -5.644 1.00 2.18 H new ATOM 1256 N ALA A 85 17.421 2.877 -2.142 1.00 2.09 N ATOM 1257 CA ALA A 85 18.107 2.774 -0.863 1.00 2.99 C ATOM 1258 C ALA A 85 17.084 2.805 0.250 1.00 3.79 C ATOM 1259 O ALA A 85 16.503 3.859 0.545 1.00 4.38 O ATOM 1260 CB ALA A 85 19.121 3.907 -0.669 1.00 3.58 C ATOM 0 H ALA A 85 16.413 3.006 -2.053 1.00 2.09 H new ATOM 0 HA ALA A 85 18.658 1.834 -0.844 1.00 2.99 H new ATOM 0 HB1 ALA A 85 19.612 3.794 0.298 1.00 3.58 H new ATOM 0 HB2 ALA A 85 19.868 3.867 -1.462 1.00 3.58 H new ATOM 0 HB3 ALA A 85 18.605 4.867 -0.704 1.00 3.58 H new ATOM 1266 N ALA A 86 16.827 1.664 0.809 1.00 4.29 N ATOM 1267 CA ALA A 86 15.892 1.494 1.884 1.00 5.37 C ATOM 1268 C ALA A 86 16.267 0.228 2.619 1.00 6.06 C ATOM 1269 O ALA A 86 16.048 -0.872 2.078 1.00 6.58 O ATOM 1270 CB ALA A 86 14.462 1.422 1.364 1.00 6.00 C ATOM 1271 OXT ALA A 86 16.858 0.315 3.714 1.00 6.33 O ATOM 0 H ALA A 86 17.276 0.794 0.522 1.00 4.29 H new ATOM 0 HA ALA A 86 15.935 2.349 2.558 1.00 5.37 H new ATOM 0 HB1 ALA A 86 13.776 1.293 2.201 1.00 6.00 H new ATOM 0 HB2 ALA A 86 14.220 2.344 0.836 1.00 6.00 H new ATOM 0 HB3 ALA A 86 14.365 0.577 0.682 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -9.269 11.372 -1.087 1.00 1.37 P HETATM 1279 O26 SXA A 87 -8.832 11.407 -2.598 1.00 2.26 O HETATM 1280 O23 SXA A 87 -10.784 11.397 -0.783 1.00 1.84 O HETATM 1281 O27 SXA A 87 -8.597 12.560 -0.368 1.00 1.75 O HETATM 1282 C28 SXA A 87 -8.925 13.913 -0.846 1.00 2.13 C HETATM 1283 C29 SXA A 87 -8.143 14.996 -0.082 1.00 3.11 C HETATM 1284 C30 SXA A 87 -8.582 14.919 1.366 1.00 3.58 C HETATM 1285 C31 SXA A 87 -6.631 14.734 -0.196 1.00 3.66 C HETATM 1286 C32 SXA A 87 -8.486 16.424 -0.706 1.00 3.95 C HETATM 1287 O33 SXA A 87 -8.180 16.418 -2.099 1.00 4.27 O HETATM 1288 C34 SXA A 87 -7.647 17.555 -0.093 1.00 4.82 C HETATM 1289 O35 SXA A 87 -6.727 18.049 -0.768 1.00 5.39 O HETATM 1290 N36 SXA A 87 -7.940 17.976 1.120 1.00 5.21 N HETATM 1291 C37 SXA A 87 -7.208 19.058 1.792 1.00 6.20 C HETATM 1292 C38 SXA A 87 -7.994 19.730 2.920 1.00 6.79 C HETATM 1293 C39 SXA A 87 -8.076 18.937 4.232 1.00 6.69 C HETATM 1294 O40 SXA A 87 -8.807 19.321 5.158 1.00 7.13 O HETATM 1295 N41 SXA A 87 -7.334 17.837 4.313 1.00 6.49 N HETATM 1296 C42 SXA A 87 -7.306 16.984 5.489 1.00 6.81 C HETATM 1297 C43 SXA A 87 -7.207 15.516 5.130 1.00 6.95 C HETATM 1298 S1 SXA A 87 -7.303 14.537 6.559 1.00 7.34 S HETATM 1299 C1 SXA A 87 -8.967 14.829 7.036 1.00 7.74 C HETATM 1300 O1 SXA A 87 -9.783 15.550 6.415 1.00 7.80 O HETATM 1301 C2 SXA A 87 -9.374 14.109 8.302 1.00 8.41 C HETATM 0 HO33 SXA A 87 -7.468 17.067 -2.280 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -6.757 17.580 3.512 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -8.711 17.530 1.616 1.00 5.21 H new HETATM 0 H43A SXA A 87 -8.010 15.248 4.443 1.00 6.95 H new HETATM 0 H42A SXA A 87 -6.458 17.261 6.116 1.00 6.81 H new HETATM 0 H38A SXA A 87 -7.540 20.698 3.129 1.00 6.79 H new HETATM 0 H37A SXA A 87 -6.279 18.658 2.198 1.00 6.20 H new HETATM 0 H31B SXA A 87 -6.398 13.758 0.229 1.00 3.66 H new HETATM 0 H31A SXA A 87 -6.337 14.753 -1.245 1.00 3.66 H new HETATM 0 H30B SXA A 87 -9.655 15.100 1.431 1.00 3.58 H new HETATM 0 H30A SXA A 87 -8.357 13.929 1.762 1.00 3.58 H new HETATM 0 H28A SXA A 87 -8.701 13.986 -1.910 1.00 2.13 H new HETATM 0 H43 SXA A 87 -6.267 15.324 4.612 1.00 6.95 H new HETATM 0 H42 SXA A 87 -8.207 17.152 6.079 1.00 6.81 H new HETATM 0 H38 SXA A 87 -9.008 19.923 2.568 1.00 6.79 H new HETATM 0 H37 SXA A 87 -6.934 19.812 1.054 1.00 6.20 H new HETATM 0 H32 SXA A 87 -9.543 16.600 -0.504 1.00 3.95 H new HETATM 0 H31 SXA A 87 -6.086 15.506 0.348 1.00 3.66 H new HETATM 0 H30 SXA A 87 -8.051 15.672 1.948 1.00 3.58 H new HETATM 0 H2B SXA A 87 -9.262 13.034 8.161 1.00 8.41 H new HETATM 0 H2A SXA A 87 -8.739 14.435 9.126 1.00 8.41 H new HETATM 0 H28 SXA A 87 -9.995 14.089 -0.732 1.00 2.13 H new HETATM 0 H2 SXA A 87 -10.414 14.338 8.533 1.00 8.41 H new