USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 hydrogens (21 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 156:sc= 2.22 USER MOD Set 1.2: A 48 THR OG1 : rot 90:sc= 2.25 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.111 (180deg=-0.601) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0126 (180deg=-0.192) USER MOD Single : A 3 THR OG1 : rot 43:sc= 0.198 USER MOD Single : A 6 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.536 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.471 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 51:sc= -1.71! USER MOD Single : A 46 MET CE :methyl -159:sc= 0 (180deg=-0.0255) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 165:sc= -0.659 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 79 ASN : amide:sc= -1.55! C(o=-1.5!,f=-12!) USER MOD Single : A 87 PNS O33 : rot -4:sc= 1.06 USER MOD Single : A 87 PNS S44 : rot 180:sc= 0.00801 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.446 5.543 4.027 1.00 2.24 N ATOM 2 CA MET A 1 18.543 6.670 3.094 1.00 1.76 C ATOM 3 C MET A 1 17.208 6.924 2.431 1.00 1.40 C ATOM 4 O MET A 1 16.812 8.082 2.235 1.00 1.79 O ATOM 5 CB MET A 1 19.599 6.401 2.017 1.00 2.58 C ATOM 6 CG MET A 1 19.812 7.560 1.053 1.00 3.31 C ATOM 7 SD MET A 1 21.037 7.199 -0.225 1.00 4.53 S ATOM 8 CE MET A 1 20.254 5.828 -1.080 1.00 5.31 C ATOM 0 H1 MET A 1 19.293 5.518 4.631 1.00 2.24 H new ATOM 0 H2 MET A 1 17.600 5.656 4.622 1.00 2.24 H new ATOM 0 H3 MET A 1 18.376 4.654 3.492 1.00 2.24 H new ATOM 0 HA MET A 1 18.837 7.550 3.666 1.00 1.76 H new ATOM 0 HB2 MET A 1 20.546 6.167 2.503 1.00 2.58 H new ATOM 0 HB3 MET A 1 19.306 5.518 1.448 1.00 2.58 H new ATOM 0 HG2 MET A 1 18.863 7.810 0.579 1.00 3.31 H new ATOM 0 HG3 MET A 1 20.129 8.439 1.614 1.00 3.31 H new ATOM 0 HE1 MET A 1 20.699 5.714 -2.069 1.00 5.31 H new ATOM 0 HE2 MET A 1 20.400 4.911 -0.508 1.00 5.31 H new ATOM 0 HE3 MET A 1 19.187 6.025 -1.183 1.00 5.31 H new ATOM 20 N ALA A 2 16.510 5.845 2.087 1.00 1.20 N ATOM 21 CA ALA A 2 15.242 5.934 1.396 1.00 1.09 C ATOM 22 C ALA A 2 14.216 6.668 2.228 1.00 0.88 C ATOM 23 O ALA A 2 14.158 6.510 3.454 1.00 1.05 O ATOM 24 CB ALA A 2 14.738 4.554 1.014 1.00 1.46 C ATOM 0 H ALA A 2 16.812 4.891 2.282 1.00 1.20 H new ATOM 0 HA ALA A 2 15.400 6.505 0.481 1.00 1.09 H new ATOM 0 HB1 ALA A 2 13.783 4.646 0.496 1.00 1.46 H new ATOM 0 HB2 ALA A 2 15.462 4.071 0.358 1.00 1.46 H new ATOM 0 HB3 ALA A 2 14.606 3.953 1.914 1.00 1.46 H new ATOM 30 N THR A 3 13.458 7.493 1.578 1.00 0.78 N ATOM 31 CA THR A 3 12.441 8.250 2.225 1.00 0.73 C ATOM 32 C THR A 3 11.220 7.360 2.474 1.00 0.60 C ATOM 33 O THR A 3 10.532 6.943 1.532 1.00 0.63 O ATOM 34 CB THR A 3 12.081 9.484 1.349 1.00 0.93 C ATOM 35 OG1 THR A 3 11.828 9.076 -0.014 1.00 1.58 O ATOM 36 CG2 THR A 3 13.215 10.498 1.359 1.00 1.70 C ATOM 0 H THR A 3 13.530 7.660 0.574 1.00 0.78 H new ATOM 0 HA THR A 3 12.796 8.611 3.190 1.00 0.73 H new ATOM 0 HB THR A 3 11.184 9.942 1.767 1.00 0.93 H new ATOM 0 HG1 THR A 3 11.292 8.256 -0.016 1.00 1.58 H new ATOM 0 HG21 THR A 3 12.944 11.354 0.741 1.00 1.70 H new ATOM 0 HG22 THR A 3 13.396 10.832 2.381 1.00 1.70 H new ATOM 0 HG23 THR A 3 14.119 10.036 0.963 1.00 1.70 H new ATOM 44 N LEU A 4 11.012 6.999 3.727 1.00 0.58 N ATOM 45 CA LEU A 4 9.887 6.172 4.111 1.00 0.51 C ATOM 46 C LEU A 4 8.620 6.936 3.808 1.00 0.47 C ATOM 47 O LEU A 4 8.420 8.046 4.319 1.00 0.64 O ATOM 48 CB LEU A 4 9.952 5.842 5.603 1.00 0.62 C ATOM 49 CG LEU A 4 11.323 5.378 6.147 1.00 0.62 C ATOM 50 CD1 LEU A 4 11.230 5.069 7.624 1.00 1.02 C ATOM 51 CD2 LEU A 4 11.875 4.176 5.382 1.00 0.80 C ATOM 0 H LEU A 4 11.616 7.270 4.503 1.00 0.58 H new ATOM 0 HA LEU A 4 9.908 5.234 3.556 1.00 0.51 H new ATOM 0 HB2 LEU A 4 9.644 6.726 6.162 1.00 0.62 H new ATOM 0 HB3 LEU A 4 9.220 5.062 5.812 1.00 0.62 H new ATOM 0 HG LEU A 4 12.022 6.201 5.999 1.00 0.62 H new ATOM 0 HD11 LEU A 4 12.204 4.744 7.990 1.00 1.02 H new ATOM 0 HD12 LEU A 4 10.920 5.964 8.164 1.00 1.02 H new ATOM 0 HD13 LEU A 4 10.499 4.276 7.785 1.00 1.02 H new ATOM 0 HD21 LEU A 4 12.839 3.889 5.802 1.00 0.80 H new ATOM 0 HD22 LEU A 4 11.179 3.341 5.465 1.00 0.80 H new ATOM 0 HD23 LEU A 4 12.001 4.440 4.332 1.00 0.80 H new ATOM 63 N LEU A 5 7.799 6.370 2.956 1.00 0.43 N ATOM 64 CA LEU A 5 6.584 7.009 2.515 1.00 0.44 C ATOM 65 C LEU A 5 5.643 7.224 3.681 1.00 0.38 C ATOM 66 O LEU A 5 5.546 6.372 4.586 1.00 0.45 O ATOM 67 CB LEU A 5 5.929 6.234 1.327 1.00 0.67 C ATOM 68 CG LEU A 5 5.485 4.763 1.536 1.00 0.54 C ATOM 69 CD1 LEU A 5 4.175 4.650 2.293 1.00 1.05 C ATOM 70 CD2 LEU A 5 5.389 4.045 0.211 1.00 1.37 C ATOM 0 H LEU A 5 7.957 5.449 2.548 1.00 0.43 H new ATOM 0 HA LEU A 5 6.830 7.996 2.124 1.00 0.44 H new ATOM 0 HB2 LEU A 5 5.053 6.799 1.010 1.00 0.67 H new ATOM 0 HB3 LEU A 5 6.635 6.249 0.497 1.00 0.67 H new ATOM 0 HG LEU A 5 6.250 4.287 2.149 1.00 0.54 H new ATOM 0 HD11 LEU A 5 3.912 3.599 2.411 1.00 1.05 H new ATOM 0 HD12 LEU A 5 4.282 5.110 3.276 1.00 1.05 H new ATOM 0 HD13 LEU A 5 3.388 5.161 1.737 1.00 1.05 H new ATOM 0 HD21 LEU A 5 5.076 3.014 0.378 1.00 1.37 H new ATOM 0 HD22 LEU A 5 4.659 4.548 -0.423 1.00 1.37 H new ATOM 0 HD23 LEU A 5 6.363 4.054 -0.279 1.00 1.37 H new ATOM 82 N THR A 6 4.997 8.349 3.694 1.00 0.41 N ATOM 83 CA THR A 6 4.118 8.679 4.769 1.00 0.48 C ATOM 84 C THR A 6 2.734 8.086 4.534 1.00 0.39 C ATOM 85 O THR A 6 2.504 7.390 3.529 1.00 0.36 O ATOM 86 CB THR A 6 4.009 10.208 4.959 1.00 0.66 C ATOM 87 OG1 THR A 6 3.558 10.815 3.727 1.00 0.72 O ATOM 88 CG2 THR A 6 5.352 10.807 5.363 1.00 0.88 C ATOM 0 H THR A 6 5.064 9.059 2.965 1.00 0.41 H new ATOM 0 HA THR A 6 4.539 8.250 5.679 1.00 0.48 H new ATOM 0 HB THR A 6 3.292 10.407 5.756 1.00 0.66 H new ATOM 0 HG1 THR A 6 4.295 10.831 3.081 1.00 0.72 H new ATOM 0 HG21 THR A 6 5.246 11.884 5.490 1.00 0.88 H new ATOM 0 HG22 THR A 6 5.681 10.362 6.302 1.00 0.88 H new ATOM 0 HG23 THR A 6 6.089 10.604 4.586 1.00 0.88 H new ATOM 96 N THR A 7 1.811 8.409 5.405 1.00 0.44 N ATOM 97 CA THR A 7 0.452 7.966 5.280 1.00 0.44 C ATOM 98 C THR A 7 -0.183 8.651 4.059 1.00 0.40 C ATOM 99 O THR A 7 -0.985 8.062 3.345 1.00 0.39 O ATOM 100 CB THR A 7 -0.320 8.307 6.571 1.00 0.56 C ATOM 101 OG1 THR A 7 0.431 7.807 7.698 1.00 0.70 O ATOM 102 CG2 THR A 7 -1.701 7.670 6.572 1.00 0.66 C ATOM 0 H THR A 7 1.986 8.990 6.225 1.00 0.44 H new ATOM 0 HA THR A 7 0.415 6.886 5.136 1.00 0.44 H new ATOM 0 HB THR A 7 -0.444 9.388 6.632 1.00 0.56 H new ATOM 0 HG1 THR A 7 -0.046 8.017 8.528 1.00 0.70 H new ATOM 0 HG21 THR A 7 -2.220 7.929 7.495 1.00 0.66 H new ATOM 0 HG22 THR A 7 -2.272 8.037 5.719 1.00 0.66 H new ATOM 0 HG23 THR A 7 -1.602 6.587 6.503 1.00 0.66 H new ATOM 110 N ASP A 8 0.261 9.879 3.793 1.00 0.50 N ATOM 111 CA ASP A 8 -0.212 10.650 2.645 1.00 0.56 C ATOM 112 C ASP A 8 0.285 10.026 1.355 1.00 0.49 C ATOM 113 O ASP A 8 -0.473 9.874 0.392 1.00 0.48 O ATOM 114 CB ASP A 8 0.262 12.096 2.732 1.00 0.77 C ATOM 115 CG ASP A 8 -0.144 12.917 1.525 1.00 1.44 C ATOM 116 OD1 ASP A 8 -1.277 13.449 1.501 1.00 1.69 O ATOM 117 OD2 ASP A 8 0.660 13.054 0.592 1.00 2.29 O ATOM 0 H ASP A 8 0.954 10.364 4.363 1.00 0.50 H new ATOM 0 HA ASP A 8 -1.302 10.639 2.654 1.00 0.56 H new ATOM 0 HB2 ASP A 8 -0.146 12.555 3.633 1.00 0.77 H new ATOM 0 HB3 ASP A 8 1.347 12.113 2.830 1.00 0.77 H new ATOM 122 N ASP A 9 1.551 9.624 1.357 1.00 0.49 N ATOM 123 CA ASP A 9 2.168 8.991 0.186 1.00 0.51 C ATOM 124 C ASP A 9 1.499 7.689 -0.117 1.00 0.43 C ATOM 125 O ASP A 9 1.227 7.375 -1.280 1.00 0.48 O ATOM 126 CB ASP A 9 3.651 8.718 0.379 1.00 0.60 C ATOM 127 CG ASP A 9 4.499 9.942 0.504 1.00 1.12 C ATOM 128 OD1 ASP A 9 4.730 10.633 -0.512 1.00 1.35 O ATOM 129 OD2 ASP A 9 4.961 10.239 1.628 1.00 1.83 O ATOM 0 H ASP A 9 2.176 9.724 2.157 1.00 0.49 H new ATOM 0 HA ASP A 9 2.046 9.696 -0.636 1.00 0.51 H new ATOM 0 HB2 ASP A 9 3.781 8.109 1.274 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.011 8.128 -0.464 1.00 0.60 H new ATOM 134 N LEU A 10 1.247 6.923 0.925 1.00 0.36 N ATOM 135 CA LEU A 10 0.567 5.656 0.800 1.00 0.34 C ATOM 136 C LEU A 10 -0.834 5.883 0.258 1.00 0.32 C ATOM 137 O LEU A 10 -1.260 5.214 -0.680 1.00 0.37 O ATOM 138 CB LEU A 10 0.495 4.970 2.158 1.00 0.36 C ATOM 139 CG LEU A 10 -0.164 3.596 2.188 1.00 0.43 C ATOM 140 CD1 LEU A 10 0.623 2.588 1.357 1.00 0.67 C ATOM 141 CD2 LEU A 10 -0.296 3.132 3.611 1.00 0.75 C ATOM 0 H LEU A 10 1.509 7.164 1.881 1.00 0.36 H new ATOM 0 HA LEU A 10 1.119 5.017 0.111 1.00 0.34 H new ATOM 0 HB2 LEU A 10 1.509 4.871 2.545 1.00 0.36 H new ATOM 0 HB3 LEU A 10 -0.046 5.623 2.843 1.00 0.36 H new ATOM 0 HG LEU A 10 -1.157 3.675 1.746 1.00 0.43 H new ATOM 0 HD11 LEU A 10 0.128 1.618 1.398 1.00 0.67 H new ATOM 0 HD12 LEU A 10 0.671 2.928 0.322 1.00 0.67 H new ATOM 0 HD13 LEU A 10 1.633 2.497 1.756 1.00 0.67 H new ATOM 0 HD21 LEU A 10 -0.767 2.149 3.631 1.00 0.75 H new ATOM 0 HD22 LEU A 10 0.692 3.070 4.067 1.00 0.75 H new ATOM 0 HD23 LEU A 10 -0.909 3.840 4.169 1.00 0.75 H new ATOM 153 N ARG A 11 -1.522 6.864 0.842 1.00 0.30 N ATOM 154 CA ARG A 11 -2.866 7.232 0.445 1.00 0.32 C ATOM 155 C ARG A 11 -2.950 7.528 -1.040 1.00 0.35 C ATOM 156 O ARG A 11 -3.686 6.861 -1.743 1.00 0.36 O ATOM 157 CB ARG A 11 -3.369 8.433 1.243 1.00 0.39 C ATOM 158 CG ARG A 11 -4.760 8.889 0.844 1.00 0.50 C ATOM 159 CD ARG A 11 -5.225 10.076 1.661 1.00 0.64 C ATOM 160 NE ARG A 11 -4.350 11.246 1.514 1.00 1.39 N ATOM 161 CZ ARG A 11 -4.778 12.496 1.321 1.00 1.86 C ATOM 162 NH1 ARG A 11 -6.063 12.735 1.050 1.00 1.90 N ATOM 163 NH2 ARG A 11 -3.911 13.497 1.345 1.00 2.88 N ATOM 0 H ARG A 11 -1.152 7.425 1.609 1.00 0.30 H new ATOM 0 HA ARG A 11 -3.505 6.376 0.660 1.00 0.32 H new ATOM 0 HB2 ARG A 11 -3.369 8.180 2.303 1.00 0.39 H new ATOM 0 HB3 ARG A 11 -2.673 9.262 1.113 1.00 0.39 H new ATOM 0 HG2 ARG A 11 -4.765 9.153 -0.214 1.00 0.50 H new ATOM 0 HG3 ARG A 11 -5.462 8.065 0.971 1.00 0.50 H new ATOM 0 HD2 ARG A 11 -6.237 10.345 1.359 1.00 0.64 H new ATOM 0 HD3 ARG A 11 -5.271 9.792 2.712 1.00 0.64 H new ATOM 0 HE ARG A 11 -3.343 11.093 1.563 1.00 1.39 H new ATOM 0 HH11 ARG A 11 -6.724 11.961 0.989 1.00 1.90 H new ATOM 0 HH12 ARG A 11 -6.384 13.692 0.904 1.00 1.90 H new ATOM 0 HH21 ARG A 11 -2.922 13.311 1.510 1.00 2.88 H new ATOM 0 HH22 ARG A 11 -4.233 14.454 1.198 1.00 2.88 H new ATOM 177 N ARG A 12 -2.143 8.480 -1.534 1.00 0.40 N ATOM 178 CA ARG A 12 -2.225 8.869 -2.952 1.00 0.47 C ATOM 179 C ARG A 12 -1.968 7.697 -3.902 1.00 0.48 C ATOM 180 O ARG A 12 -2.606 7.585 -4.952 1.00 0.54 O ATOM 181 CB ARG A 12 -1.324 10.059 -3.304 1.00 0.60 C ATOM 182 CG ARG A 12 0.123 9.887 -2.934 1.00 1.20 C ATOM 183 CD ARG A 12 0.964 11.038 -3.459 1.00 1.30 C ATOM 184 NE ARG A 12 2.355 10.983 -2.987 1.00 1.99 N ATOM 185 CZ ARG A 12 3.439 11.256 -3.729 1.00 2.49 C ATOM 186 NH1 ARG A 12 3.320 11.553 -5.027 1.00 2.42 N ATOM 187 NH2 ARG A 12 4.633 11.241 -3.165 1.00 3.46 N ATOM 0 H ARG A 12 -1.443 8.984 -0.990 1.00 0.40 H new ATOM 0 HA ARG A 12 -3.256 9.192 -3.095 1.00 0.47 H new ATOM 0 HB2 ARG A 12 -1.391 10.242 -4.376 1.00 0.60 H new ATOM 0 HB3 ARG A 12 -1.709 10.948 -2.804 1.00 0.60 H new ATOM 0 HG2 ARG A 12 0.219 9.827 -1.850 1.00 1.20 H new ATOM 0 HG3 ARG A 12 0.496 8.946 -3.339 1.00 1.20 H new ATOM 0 HD2 ARG A 12 0.953 11.023 -4.549 1.00 1.30 H new ATOM 0 HD3 ARG A 12 0.516 11.982 -3.148 1.00 1.30 H new ATOM 0 HE ARG A 12 2.509 10.715 -2.015 1.00 1.99 H new ATOM 0 HH11 ARG A 12 2.398 11.574 -5.463 1.00 2.42 H new ATOM 0 HH12 ARG A 12 4.151 11.759 -5.581 1.00 2.42 H new ATOM 0 HH21 ARG A 12 4.726 11.023 -2.173 1.00 3.46 H new ATOM 0 HH22 ARG A 12 5.463 11.447 -3.722 1.00 3.46 H new ATOM 201 N ALA A 13 -1.091 6.803 -3.499 1.00 0.47 N ATOM 202 CA ALA A 13 -0.744 5.654 -4.313 1.00 0.53 C ATOM 203 C ALA A 13 -1.837 4.586 -4.275 1.00 0.50 C ATOM 204 O ALA A 13 -2.094 3.902 -5.265 1.00 0.63 O ATOM 205 CB ALA A 13 0.572 5.077 -3.854 1.00 0.58 C ATOM 0 H ALA A 13 -0.601 6.849 -2.606 1.00 0.47 H new ATOM 0 HA ALA A 13 -0.649 5.989 -5.346 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.826 4.214 -4.470 1.00 0.58 H new ATOM 0 HB2 ALA A 13 1.353 5.832 -3.947 1.00 0.58 H new ATOM 0 HB3 ALA A 13 0.490 4.767 -2.812 1.00 0.58 H new ATOM 211 N LEU A 14 -2.480 4.454 -3.147 1.00 0.41 N ATOM 212 CA LEU A 14 -3.533 3.478 -2.986 1.00 0.41 C ATOM 213 C LEU A 14 -4.835 4.005 -3.602 1.00 0.47 C ATOM 214 O LEU A 14 -5.626 3.245 -4.152 1.00 0.62 O ATOM 215 CB LEU A 14 -3.676 3.132 -1.504 1.00 0.39 C ATOM 216 CG LEU A 14 -4.696 2.055 -1.112 1.00 0.45 C ATOM 217 CD1 LEU A 14 -4.321 0.707 -1.702 1.00 0.50 C ATOM 218 CD2 LEU A 14 -4.801 1.960 0.404 1.00 0.50 C ATOM 0 H LEU A 14 -2.293 5.014 -2.315 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.285 2.558 -3.516 1.00 0.41 H new ATOM 0 HB2 LEU A 14 -2.699 2.815 -1.139 1.00 0.39 H new ATOM 0 HB3 LEU A 14 -3.934 4.047 -0.971 1.00 0.39 H new ATOM 0 HG LEU A 14 -5.667 2.341 -1.517 1.00 0.45 H new ATOM 0 HD11 LEU A 14 -5.061 -0.037 -1.408 1.00 0.50 H new ATOM 0 HD12 LEU A 14 -4.293 0.781 -2.789 1.00 0.50 H new ATOM 0 HD13 LEU A 14 -3.340 0.409 -1.333 1.00 0.50 H new ATOM 0 HD21 LEU A 14 -5.528 1.193 0.671 1.00 0.50 H new ATOM 0 HD22 LEU A 14 -3.828 1.699 0.820 1.00 0.50 H new ATOM 0 HD23 LEU A 14 -5.123 2.920 0.807 1.00 0.50 H new ATOM 230 N VAL A 15 -5.031 5.317 -3.538 1.00 0.42 N ATOM 231 CA VAL A 15 -6.170 5.960 -4.194 1.00 0.49 C ATOM 232 C VAL A 15 -5.999 5.861 -5.718 1.00 0.51 C ATOM 233 O VAL A 15 -6.977 5.759 -6.459 1.00 0.60 O ATOM 234 CB VAL A 15 -6.340 7.468 -3.759 1.00 0.58 C ATOM 235 CG1 VAL A 15 -7.455 8.162 -4.533 1.00 0.74 C ATOM 236 CG2 VAL A 15 -6.638 7.567 -2.273 1.00 0.63 C ATOM 0 H VAL A 15 -4.416 5.960 -3.038 1.00 0.42 H new ATOM 0 HA VAL A 15 -7.075 5.438 -3.884 1.00 0.49 H new ATOM 0 HB VAL A 15 -5.398 7.968 -3.983 1.00 0.58 H new ATOM 0 HG11 VAL A 15 -7.538 9.197 -4.202 1.00 0.74 H new ATOM 0 HG12 VAL A 15 -7.227 8.139 -5.599 1.00 0.74 H new ATOM 0 HG13 VAL A 15 -8.398 7.647 -4.352 1.00 0.74 H new ATOM 0 HG21 VAL A 15 -6.752 8.614 -1.994 1.00 0.63 H new ATOM 0 HG22 VAL A 15 -7.560 7.030 -2.050 1.00 0.63 H new ATOM 0 HG23 VAL A 15 -5.817 7.128 -1.707 1.00 0.63 H new ATOM 246 N GLU A 16 -4.740 5.836 -6.159 1.00 0.53 N ATOM 247 CA GLU A 16 -4.384 5.738 -7.572 1.00 0.63 C ATOM 248 C GLU A 16 -5.000 4.479 -8.193 1.00 0.70 C ATOM 249 O GLU A 16 -5.723 4.566 -9.182 1.00 0.83 O ATOM 250 CB GLU A 16 -2.857 5.696 -7.713 1.00 0.77 C ATOM 251 CG GLU A 16 -2.325 5.732 -9.138 1.00 1.20 C ATOM 252 CD GLU A 16 -2.610 7.033 -9.831 1.00 1.52 C ATOM 253 OE1 GLU A 16 -2.044 8.068 -9.439 1.00 2.04 O ATOM 254 OE2 GLU A 16 -3.398 7.040 -10.801 1.00 2.01 O ATOM 0 H GLU A 16 -3.932 5.884 -5.538 1.00 0.53 H new ATOM 0 HA GLU A 16 -4.774 6.610 -8.097 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.437 6.540 -7.166 1.00 0.77 H new ATOM 0 HB3 GLU A 16 -2.491 4.790 -7.231 1.00 0.77 H new ATOM 0 HG2 GLU A 16 -1.249 5.561 -9.124 1.00 1.20 H new ATOM 0 HG3 GLU A 16 -2.770 4.916 -9.708 1.00 1.20 H new ATOM 261 N SER A 17 -4.759 3.322 -7.586 1.00 0.70 N ATOM 262 CA SER A 17 -5.290 2.071 -8.117 1.00 0.87 C ATOM 263 C SER A 17 -6.827 2.040 -7.976 1.00 0.95 C ATOM 264 O SER A 17 -7.539 1.582 -8.876 1.00 1.20 O ATOM 265 CB SER A 17 -4.666 0.866 -7.385 1.00 0.87 C ATOM 266 OG SER A 17 -3.252 1.004 -7.242 1.00 1.30 O ATOM 0 H SER A 17 -4.205 3.224 -6.735 1.00 0.70 H new ATOM 0 HA SER A 17 -5.032 2.008 -9.174 1.00 0.87 H new ATOM 0 HB2 SER A 17 -5.122 0.763 -6.400 1.00 0.87 H new ATOM 0 HB3 SER A 17 -4.888 -0.048 -7.936 1.00 0.87 H new ATOM 0 HG SER A 17 -2.947 0.473 -6.477 1.00 1.30 H new ATOM 272 N ALA A 18 -7.316 2.615 -6.877 1.00 0.91 N ATOM 273 CA ALA A 18 -8.736 2.617 -6.526 1.00 1.10 C ATOM 274 C ALA A 18 -9.588 3.418 -7.503 1.00 1.37 C ATOM 275 O ALA A 18 -10.792 3.219 -7.583 1.00 1.93 O ATOM 276 CB ALA A 18 -8.931 3.139 -5.110 1.00 1.32 C ATOM 0 H ALA A 18 -6.729 3.099 -6.197 1.00 0.91 H new ATOM 0 HA ALA A 18 -9.074 1.582 -6.585 1.00 1.10 H new ATOM 0 HB1 ALA A 18 -9.993 3.134 -4.864 1.00 1.32 H new ATOM 0 HB2 ALA A 18 -8.393 2.500 -4.409 1.00 1.32 H new ATOM 0 HB3 ALA A 18 -8.547 4.157 -5.041 1.00 1.32 H new ATOM 282 N GLY A 19 -8.965 4.304 -8.256 1.00 1.34 N ATOM 283 CA GLY A 19 -9.697 5.144 -9.191 1.00 1.71 C ATOM 284 C GLY A 19 -10.377 4.356 -10.306 1.00 1.86 C ATOM 285 O GLY A 19 -11.464 4.727 -10.770 1.00 2.29 O ATOM 0 H GLY A 19 -7.957 4.462 -8.241 1.00 1.34 H new ATOM 0 HA2 GLY A 19 -10.451 5.712 -8.645 1.00 1.71 H new ATOM 0 HA3 GLY A 19 -9.011 5.867 -9.633 1.00 1.71 H new ATOM 289 N GLU A 20 -9.768 3.252 -10.705 1.00 2.32 N ATOM 290 CA GLU A 20 -10.300 2.437 -11.792 1.00 2.96 C ATOM 291 C GLU A 20 -11.126 1.273 -11.231 1.00 3.25 C ATOM 292 O GLU A 20 -11.539 0.373 -11.960 1.00 3.62 O ATOM 293 CB GLU A 20 -9.162 1.900 -12.673 1.00 3.80 C ATOM 294 CG GLU A 20 -8.260 2.973 -13.290 1.00 4.15 C ATOM 295 CD GLU A 20 -9.000 3.958 -14.175 1.00 4.90 C ATOM 296 OE1 GLU A 20 -9.483 3.565 -15.257 1.00 5.29 O ATOM 297 OE2 GLU A 20 -9.068 5.153 -13.834 1.00 5.38 O ATOM 0 H GLU A 20 -8.904 2.897 -10.294 1.00 2.32 H new ATOM 0 HA GLU A 20 -10.947 3.065 -12.405 1.00 2.96 H new ATOM 0 HB2 GLU A 20 -8.546 1.228 -12.075 1.00 3.80 H new ATOM 0 HB3 GLU A 20 -9.595 1.304 -13.477 1.00 3.80 H new ATOM 0 HG2 GLU A 20 -7.762 3.520 -12.490 1.00 4.15 H new ATOM 0 HG3 GLU A 20 -7.480 2.486 -13.876 1.00 4.15 H new ATOM 304 N THR A 21 -11.379 1.314 -9.951 1.00 3.60 N ATOM 305 CA THR A 21 -12.133 0.292 -9.279 1.00 4.23 C ATOM 306 C THR A 21 -12.999 0.961 -8.180 1.00 3.84 C ATOM 307 O THR A 21 -13.478 2.093 -8.372 1.00 4.28 O ATOM 308 CB THR A 21 -11.173 -0.857 -8.725 1.00 5.33 C ATOM 309 OG1 THR A 21 -11.906 -1.908 -8.063 1.00 5.74 O ATOM 310 CG2 THR A 21 -10.103 -0.318 -7.785 1.00 6.11 C ATOM 0 H THR A 21 -11.064 2.067 -9.339 1.00 3.60 H new ATOM 0 HA THR A 21 -12.805 -0.209 -9.975 1.00 4.23 H new ATOM 0 HB THR A 21 -10.682 -1.273 -9.605 1.00 5.33 H new ATOM 0 HG1 THR A 21 -11.281 -2.590 -7.741 1.00 5.74 H new ATOM 0 HG21 THR A 21 -9.477 -1.140 -7.437 1.00 6.11 H new ATOM 0 HG22 THR A 21 -9.486 0.409 -8.314 1.00 6.11 H new ATOM 0 HG23 THR A 21 -10.578 0.163 -6.930 1.00 6.11 H new ATOM 318 N ASP A 22 -13.208 0.293 -7.077 1.00 3.43 N ATOM 319 CA ASP A 22 -13.968 0.843 -5.975 1.00 3.43 C ATOM 320 C ASP A 22 -13.032 1.476 -4.992 1.00 3.11 C ATOM 321 O ASP A 22 -11.821 1.241 -5.026 1.00 3.69 O ATOM 322 CB ASP A 22 -14.789 -0.221 -5.238 1.00 3.93 C ATOM 323 CG ASP A 22 -15.931 -0.802 -6.027 1.00 4.53 C ATOM 324 OD1 ASP A 22 -15.715 -1.770 -6.772 1.00 5.17 O ATOM 325 OD2 ASP A 22 -17.081 -0.354 -5.861 1.00 4.69 O ATOM 0 H ASP A 22 -12.857 -0.651 -6.912 1.00 3.43 H new ATOM 0 HA ASP A 22 -14.658 1.574 -6.397 1.00 3.43 H new ATOM 0 HB2 ASP A 22 -14.123 -1.031 -4.941 1.00 3.93 H new ATOM 0 HB3 ASP A 22 -15.186 0.217 -4.322 1.00 3.93 H new ATOM 330 N GLY A 23 -13.585 2.255 -4.128 1.00 2.73 N ATOM 331 CA GLY A 23 -12.849 2.889 -3.117 1.00 2.86 C ATOM 332 C GLY A 23 -13.802 3.497 -2.158 1.00 2.43 C ATOM 333 O GLY A 23 -14.907 2.969 -1.970 1.00 3.06 O ATOM 0 H GLY A 23 -14.583 2.466 -4.114 1.00 2.73 H new ATOM 0 HA2 GLY A 23 -12.205 2.171 -2.609 1.00 2.86 H new ATOM 0 HA3 GLY A 23 -12.199 3.654 -3.543 1.00 2.86 H new ATOM 337 N THR A 24 -13.416 4.593 -1.590 1.00 1.86 N ATOM 338 CA THR A 24 -14.216 5.322 -0.641 1.00 1.62 C ATOM 339 C THR A 24 -13.395 6.526 -0.166 1.00 1.71 C ATOM 340 O THR A 24 -12.484 6.981 -0.884 1.00 2.45 O ATOM 341 CB THR A 24 -14.676 4.410 0.580 1.00 1.89 C ATOM 342 OG1 THR A 24 -15.577 5.125 1.459 1.00 2.78 O ATOM 343 CG2 THR A 24 -13.483 3.878 1.383 1.00 1.86 C ATOM 0 H THR A 24 -12.510 5.024 -1.774 1.00 1.86 H new ATOM 0 HA THR A 24 -15.136 5.659 -1.120 1.00 1.62 H new ATOM 0 HB THR A 24 -15.202 3.558 0.149 1.00 1.89 H new ATOM 0 HG1 THR A 24 -15.845 4.541 2.199 1.00 2.78 H new ATOM 0 HG21 THR A 24 -13.844 3.261 2.206 1.00 1.86 H new ATOM 0 HG22 THR A 24 -12.845 3.279 0.733 1.00 1.86 H new ATOM 0 HG23 THR A 24 -12.910 4.715 1.782 1.00 1.86 H new ATOM 351 N ASP A 25 -13.702 7.041 0.995 1.00 1.42 N ATOM 352 CA ASP A 25 -12.930 8.104 1.573 1.00 1.72 C ATOM 353 C ASP A 25 -11.745 7.456 2.239 1.00 1.53 C ATOM 354 O ASP A 25 -11.888 6.777 3.242 1.00 2.31 O ATOM 355 CB ASP A 25 -13.749 8.896 2.584 1.00 2.23 C ATOM 356 CG ASP A 25 -13.041 10.148 3.020 1.00 2.37 C ATOM 357 OD1 ASP A 25 -13.104 11.145 2.285 1.00 2.90 O ATOM 358 OD2 ASP A 25 -12.427 10.169 4.104 1.00 2.58 O ATOM 0 H ASP A 25 -14.492 6.735 1.564 1.00 1.42 H new ATOM 0 HA ASP A 25 -12.616 8.813 0.807 1.00 1.72 H new ATOM 0 HB2 ASP A 25 -14.712 9.157 2.146 1.00 2.23 H new ATOM 0 HB3 ASP A 25 -13.953 8.272 3.454 1.00 2.23 H new ATOM 363 N LEU A 26 -10.604 7.615 1.654 1.00 1.00 N ATOM 364 CA LEU A 26 -9.425 6.897 2.080 1.00 0.87 C ATOM 365 C LEU A 26 -8.421 7.871 2.698 1.00 0.91 C ATOM 366 O LEU A 26 -7.222 7.628 2.725 1.00 1.19 O ATOM 367 CB LEU A 26 -8.835 6.182 0.851 1.00 0.95 C ATOM 368 CG LEU A 26 -7.769 5.115 1.107 1.00 0.69 C ATOM 369 CD1 LEU A 26 -8.343 3.977 1.942 1.00 1.18 C ATOM 370 CD2 LEU A 26 -7.239 4.586 -0.210 1.00 1.38 C ATOM 0 H LEU A 26 -10.452 8.244 0.866 1.00 1.00 H new ATOM 0 HA LEU A 26 -9.672 6.157 2.841 1.00 0.87 H new ATOM 0 HB2 LEU A 26 -9.655 5.716 0.306 1.00 0.95 H new ATOM 0 HB3 LEU A 26 -8.405 6.938 0.194 1.00 0.95 H new ATOM 0 HG LEU A 26 -6.947 5.568 1.662 1.00 0.69 H new ATOM 0 HD11 LEU A 26 -7.571 3.227 2.114 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -8.690 4.367 2.899 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -9.179 3.522 1.411 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -6.481 3.827 -0.018 1.00 1.38 H new ATOM 0 HD22 LEU A 26 -8.057 4.146 -0.781 1.00 1.38 H new ATOM 0 HD23 LEU A 26 -6.798 5.404 -0.780 1.00 1.38 H new ATOM 382 N SER A 27 -8.931 8.949 3.216 1.00 0.93 N ATOM 383 CA SER A 27 -8.110 9.947 3.837 1.00 1.07 C ATOM 384 C SER A 27 -8.295 9.845 5.348 1.00 1.06 C ATOM 385 O SER A 27 -9.285 9.265 5.811 1.00 1.46 O ATOM 386 CB SER A 27 -8.524 11.328 3.319 1.00 1.33 C ATOM 387 OG SER A 27 -7.636 12.354 3.744 1.00 1.80 O ATOM 0 H SER A 27 -9.929 9.162 3.220 1.00 0.93 H new ATOM 0 HA SER A 27 -7.057 9.796 3.598 1.00 1.07 H new ATOM 0 HB2 SER A 27 -8.559 11.309 2.230 1.00 1.33 H new ATOM 0 HB3 SER A 27 -9.532 11.556 3.666 1.00 1.33 H new ATOM 0 HG SER A 27 -7.938 13.216 3.389 1.00 1.80 H new ATOM 393 N GLY A 28 -7.357 10.358 6.107 1.00 1.43 N ATOM 394 CA GLY A 28 -7.478 10.324 7.541 1.00 1.57 C ATOM 395 C GLY A 28 -7.012 9.014 8.153 1.00 1.43 C ATOM 396 O GLY A 28 -5.825 8.673 8.092 1.00 1.82 O ATOM 0 H GLY A 28 -6.507 10.801 5.757 1.00 1.43 H new ATOM 0 HA2 GLY A 28 -6.898 11.143 7.967 1.00 1.57 H new ATOM 0 HA3 GLY A 28 -8.519 10.495 7.815 1.00 1.57 H new ATOM 400 N ASP A 29 -7.928 8.294 8.750 1.00 1.22 N ATOM 401 CA ASP A 29 -7.623 7.040 9.431 1.00 1.16 C ATOM 402 C ASP A 29 -8.075 5.881 8.587 1.00 0.99 C ATOM 403 O ASP A 29 -9.264 5.756 8.299 1.00 1.26 O ATOM 404 CB ASP A 29 -8.323 7.005 10.795 1.00 1.43 C ATOM 405 CG ASP A 29 -8.246 5.658 11.479 1.00 1.92 C ATOM 406 OD1 ASP A 29 -7.195 5.334 12.057 1.00 2.57 O ATOM 407 OD2 ASP A 29 -9.221 4.890 11.442 1.00 2.45 O ATOM 0 H ASP A 29 -8.914 8.554 8.783 1.00 1.22 H new ATOM 0 HA ASP A 29 -6.546 6.967 9.586 1.00 1.16 H new ATOM 0 HB2 ASP A 29 -7.876 7.759 11.443 1.00 1.43 H new ATOM 0 HB3 ASP A 29 -9.370 7.278 10.664 1.00 1.43 H new ATOM 412 N PHE A 30 -7.150 5.050 8.163 1.00 0.68 N ATOM 413 CA PHE A 30 -7.504 3.935 7.291 1.00 0.58 C ATOM 414 C PHE A 30 -6.487 2.799 7.357 1.00 0.44 C ATOM 415 O PHE A 30 -6.596 1.844 6.616 1.00 0.43 O ATOM 416 CB PHE A 30 -7.650 4.418 5.823 1.00 0.59 C ATOM 417 CG PHE A 30 -6.378 4.966 5.196 1.00 0.54 C ATOM 418 CD1 PHE A 30 -5.974 6.272 5.425 1.00 0.65 C ATOM 419 CD2 PHE A 30 -5.598 4.167 4.371 1.00 0.55 C ATOM 420 CE1 PHE A 30 -4.819 6.766 4.847 1.00 0.73 C ATOM 421 CE2 PHE A 30 -4.446 4.654 3.794 1.00 0.64 C ATOM 422 CZ PHE A 30 -4.055 5.955 4.032 1.00 0.71 C ATOM 0 H PHE A 30 -6.160 5.116 8.399 1.00 0.68 H new ATOM 0 HA PHE A 30 -8.458 3.547 7.648 1.00 0.58 H new ATOM 0 HB2 PHE A 30 -8.006 3.585 5.216 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -8.418 5.191 5.786 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -6.568 6.911 6.062 1.00 0.65 H new ATOM 0 HD2 PHE A 30 -5.899 3.148 4.179 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -4.515 7.785 5.033 1.00 0.73 H new ATOM 0 HE2 PHE A 30 -3.850 4.018 3.156 1.00 0.64 H new ATOM 0 HZ PHE A 30 -3.152 6.339 3.581 1.00 0.71 H new ATOM 432 N LEU A 31 -5.545 2.865 8.277 1.00 0.41 N ATOM 433 CA LEU A 31 -4.465 1.889 8.293 1.00 0.35 C ATOM 434 C LEU A 31 -4.901 0.575 8.902 1.00 0.35 C ATOM 435 O LEU A 31 -4.290 -0.455 8.639 1.00 0.40 O ATOM 436 CB LEU A 31 -3.184 2.399 9.011 1.00 0.43 C ATOM 437 CG LEU A 31 -2.416 3.587 8.386 1.00 0.58 C ATOM 438 CD1 LEU A 31 -2.120 3.356 6.916 1.00 0.64 C ATOM 439 CD2 LEU A 31 -3.121 4.913 8.618 1.00 1.26 C ATOM 0 H LEU A 31 -5.501 3.570 9.013 1.00 0.41 H new ATOM 0 HA LEU A 31 -4.212 1.730 7.245 1.00 0.35 H new ATOM 0 HB2 LEU A 31 -3.462 2.681 10.027 1.00 0.43 H new ATOM 0 HB3 LEU A 31 -2.492 1.561 9.091 1.00 0.43 H new ATOM 0 HG LEU A 31 -1.458 3.647 8.902 1.00 0.58 H new ATOM 0 HD11 LEU A 31 -1.580 4.213 6.515 1.00 0.64 H new ATOM 0 HD12 LEU A 31 -1.511 2.459 6.804 1.00 0.64 H new ATOM 0 HD13 LEU A 31 -3.056 3.230 6.372 1.00 0.64 H new ATOM 0 HD21 LEU A 31 -2.544 5.717 8.161 1.00 1.26 H new ATOM 0 HD22 LEU A 31 -4.114 4.880 8.171 1.00 1.26 H new ATOM 0 HD23 LEU A 31 -3.211 5.095 9.689 1.00 1.26 H new ATOM 451 N ASP A 32 -5.956 0.605 9.694 1.00 0.41 N ATOM 452 CA ASP A 32 -6.416 -0.602 10.374 1.00 0.54 C ATOM 453 C ASP A 32 -7.643 -1.186 9.677 1.00 0.47 C ATOM 454 O ASP A 32 -8.115 -2.290 10.008 1.00 0.57 O ATOM 455 CB ASP A 32 -6.710 -0.304 11.851 1.00 0.78 C ATOM 456 CG ASP A 32 -6.997 -1.545 12.671 1.00 1.51 C ATOM 457 OD1 ASP A 32 -6.074 -2.331 12.920 1.00 2.09 O ATOM 458 OD2 ASP A 32 -8.175 -1.781 13.038 1.00 2.24 O ATOM 0 H ASP A 32 -6.509 1.440 9.885 1.00 0.41 H new ATOM 0 HA ASP A 32 -5.622 -1.348 10.327 1.00 0.54 H new ATOM 0 HB2 ASP A 32 -5.858 0.220 12.285 1.00 0.78 H new ATOM 0 HB3 ASP A 32 -7.564 0.370 11.915 1.00 0.78 H new ATOM 463 N LEU A 33 -8.155 -0.457 8.717 1.00 0.41 N ATOM 464 CA LEU A 33 -9.294 -0.905 7.944 1.00 0.42 C ATOM 465 C LEU A 33 -8.823 -1.950 6.960 1.00 0.45 C ATOM 466 O LEU A 33 -7.809 -1.770 6.311 1.00 0.76 O ATOM 467 CB LEU A 33 -9.951 0.269 7.208 1.00 0.49 C ATOM 468 CG LEU A 33 -10.512 1.389 8.094 1.00 0.98 C ATOM 469 CD1 LEU A 33 -11.088 2.503 7.239 1.00 1.73 C ATOM 470 CD2 LEU A 33 -11.575 0.846 9.046 1.00 1.56 C ATOM 0 H LEU A 33 -7.799 0.460 8.448 1.00 0.41 H new ATOM 0 HA LEU A 33 -10.042 -1.333 8.611 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -9.217 0.703 6.529 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -10.762 -0.121 6.593 1.00 0.49 H new ATOM 0 HG LEU A 33 -9.694 1.794 8.690 1.00 0.98 H new ATOM 0 HD11 LEU A 33 -11.482 3.289 7.883 1.00 1.73 H new ATOM 0 HD12 LEU A 33 -10.305 2.914 6.601 1.00 1.73 H new ATOM 0 HD13 LEU A 33 -11.891 2.107 6.618 1.00 1.73 H new ATOM 0 HD21 LEU A 33 -11.959 1.658 9.664 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -12.392 0.412 8.470 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -11.135 0.080 9.685 1.00 1.56 H new ATOM 482 N ARG A 34 -9.526 -3.037 6.872 1.00 0.38 N ATOM 483 CA ARG A 34 -9.114 -4.118 6.005 1.00 0.36 C ATOM 484 C ARG A 34 -9.404 -3.784 4.554 1.00 0.35 C ATOM 485 O ARG A 34 -10.367 -3.060 4.248 1.00 0.40 O ATOM 486 CB ARG A 34 -9.826 -5.419 6.366 1.00 0.40 C ATOM 487 CG ARG A 34 -9.609 -5.902 7.790 1.00 0.53 C ATOM 488 CD ARG A 34 -10.228 -7.274 7.982 1.00 0.62 C ATOM 489 NE ARG A 34 -9.596 -8.259 7.107 1.00 1.55 N ATOM 490 CZ ARG A 34 -10.225 -9.192 6.380 1.00 1.98 C ATOM 491 NH1 ARG A 34 -11.531 -9.386 6.498 1.00 1.70 N ATOM 492 NH2 ARG A 34 -9.529 -9.950 5.546 1.00 3.10 N ATOM 0 H ARG A 34 -10.390 -3.207 7.387 1.00 0.38 H new ATOM 0 HA ARG A 34 -8.041 -4.250 6.142 1.00 0.36 H new ATOM 0 HB2 ARG A 34 -10.896 -5.286 6.204 1.00 0.40 H new ATOM 0 HB3 ARG A 34 -9.494 -6.199 5.680 1.00 0.40 H new ATOM 0 HG2 ARG A 34 -8.542 -5.943 8.008 1.00 0.53 H new ATOM 0 HG3 ARG A 34 -10.051 -5.195 8.492 1.00 0.53 H new ATOM 0 HD2 ARG A 34 -10.121 -7.583 9.022 1.00 0.62 H new ATOM 0 HD3 ARG A 34 -11.297 -7.228 7.772 1.00 0.62 H new ATOM 0 HE ARG A 34 -8.578 -8.234 7.044 1.00 1.55 H new ATOM 0 HH11 ARG A 34 -12.074 -8.820 7.150 1.00 1.70 H new ATOM 0 HH12 ARG A 34 -11.993 -10.101 5.936 1.00 1.70 H new ATOM 0 HH21 ARG A 34 -8.521 -9.821 5.460 1.00 3.10 H new ATOM 0 HH22 ARG A 34 -10.001 -10.662 4.989 1.00 3.10 H new ATOM 506 N PHE A 35 -8.608 -4.326 3.656 1.00 0.33 N ATOM 507 CA PHE A 35 -8.816 -4.115 2.233 1.00 0.33 C ATOM 508 C PHE A 35 -10.120 -4.739 1.773 1.00 0.36 C ATOM 509 O PHE A 35 -10.730 -4.280 0.811 1.00 0.36 O ATOM 510 CB PHE A 35 -7.649 -4.630 1.401 1.00 0.36 C ATOM 511 CG PHE A 35 -6.389 -3.841 1.577 1.00 0.34 C ATOM 512 CD1 PHE A 35 -6.323 -2.522 1.189 1.00 0.35 C ATOM 513 CD2 PHE A 35 -5.279 -4.418 2.163 1.00 0.39 C ATOM 514 CE1 PHE A 35 -5.171 -1.790 1.371 1.00 0.40 C ATOM 515 CE2 PHE A 35 -4.125 -3.693 2.350 1.00 0.43 C ATOM 516 CZ PHE A 35 -4.049 -2.389 1.850 1.00 0.43 C ATOM 0 H PHE A 35 -7.809 -4.917 3.884 1.00 0.33 H new ATOM 0 HA PHE A 35 -8.876 -3.038 2.077 1.00 0.33 H new ATOM 0 HB2 PHE A 35 -7.456 -5.669 1.666 1.00 0.36 H new ATOM 0 HB3 PHE A 35 -7.931 -4.617 0.348 1.00 0.36 H new ATOM 0 HD1 PHE A 35 -7.185 -2.055 0.736 1.00 0.35 H new ATOM 0 HD2 PHE A 35 -5.318 -5.450 2.478 1.00 0.39 H new ATOM 0 HE1 PHE A 35 -5.159 -0.737 1.132 1.00 0.40 H new ATOM 0 HE2 PHE A 35 -3.287 -4.126 2.877 1.00 0.43 H new ATOM 0 HZ PHE A 35 -3.106 -1.862 1.845 1.00 0.43 H new ATOM 526 N GLU A 36 -10.552 -5.768 2.480 1.00 0.44 N ATOM 527 CA GLU A 36 -11.827 -6.421 2.229 1.00 0.55 C ATOM 528 C GLU A 36 -12.978 -5.410 2.400 1.00 0.56 C ATOM 529 O GLU A 36 -13.969 -5.440 1.667 1.00 0.65 O ATOM 530 CB GLU A 36 -12.017 -7.565 3.224 1.00 0.70 C ATOM 531 CG GLU A 36 -13.245 -8.424 2.974 1.00 1.23 C ATOM 532 CD GLU A 36 -13.135 -9.237 1.709 1.00 1.69 C ATOM 533 OE1 GLU A 36 -12.435 -10.265 1.688 1.00 1.94 O ATOM 534 OE2 GLU A 36 -13.721 -8.837 0.702 1.00 2.48 O ATOM 0 H GLU A 36 -10.025 -6.178 3.251 1.00 0.44 H new ATOM 0 HA GLU A 36 -11.833 -6.809 1.210 1.00 0.55 H new ATOM 0 HB2 GLU A 36 -11.133 -8.202 3.198 1.00 0.70 H new ATOM 0 HB3 GLU A 36 -12.080 -7.148 4.229 1.00 0.70 H new ATOM 0 HG2 GLU A 36 -13.394 -9.094 3.821 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -14.126 -7.784 2.915 1.00 1.23 H new ATOM 541 N ASP A 37 -12.815 -4.488 3.337 1.00 0.55 N ATOM 542 CA ASP A 37 -13.854 -3.509 3.643 1.00 0.66 C ATOM 543 C ASP A 37 -13.965 -2.484 2.533 1.00 0.59 C ATOM 544 O ASP A 37 -15.062 -2.119 2.113 1.00 0.71 O ATOM 545 CB ASP A 37 -13.596 -2.810 4.979 1.00 0.79 C ATOM 546 CG ASP A 37 -14.733 -1.884 5.361 1.00 1.32 C ATOM 547 OD1 ASP A 37 -15.756 -2.378 5.881 1.00 1.48 O ATOM 548 OD2 ASP A 37 -14.647 -0.665 5.129 1.00 2.01 O ATOM 0 H ASP A 37 -11.971 -4.395 3.902 1.00 0.55 H new ATOM 0 HA ASP A 37 -14.797 -4.050 3.724 1.00 0.66 H new ATOM 0 HB2 ASP A 37 -13.459 -3.558 5.760 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -12.669 -2.240 4.918 1.00 0.79 H new ATOM 553 N ILE A 38 -12.825 -2.050 2.019 1.00 0.49 N ATOM 554 CA ILE A 38 -12.816 -1.071 0.936 1.00 0.49 C ATOM 555 C ILE A 38 -12.961 -1.738 -0.439 1.00 0.45 C ATOM 556 O ILE A 38 -12.982 -1.071 -1.476 1.00 0.49 O ATOM 557 CB ILE A 38 -11.582 -0.115 0.969 1.00 0.52 C ATOM 558 CG1 ILE A 38 -10.258 -0.899 0.865 1.00 0.47 C ATOM 559 CG2 ILE A 38 -11.605 0.726 2.242 1.00 0.65 C ATOM 560 CD1 ILE A 38 -9.012 -0.023 0.860 1.00 0.56 C ATOM 0 H ILE A 38 -11.902 -2.354 2.328 1.00 0.49 H new ATOM 0 HA ILE A 38 -13.692 -0.445 1.105 1.00 0.49 H new ATOM 0 HB ILE A 38 -11.644 0.546 0.104 1.00 0.52 H new ATOM 0 HG12 ILE A 38 -10.195 -1.596 1.701 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -10.273 -1.495 -0.047 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -10.740 1.389 2.255 1.00 0.65 H new ATOM 0 HG22 ILE A 38 -12.519 1.320 2.269 1.00 0.65 H new ATOM 0 HG23 ILE A 38 -11.573 0.070 3.112 1.00 0.65 H new ATOM 0 HD11 ILE A 38 -8.125 -0.652 0.784 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -9.048 0.657 0.009 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -8.969 0.554 1.784 1.00 0.56 H new ATOM 572 N GLY A 39 -13.139 -3.054 -0.416 1.00 0.44 N ATOM 573 CA GLY A 39 -13.334 -3.826 -1.625 1.00 0.47 C ATOM 574 C GLY A 39 -12.118 -3.848 -2.516 1.00 0.42 C ATOM 575 O GLY A 39 -12.217 -3.617 -3.720 1.00 0.55 O ATOM 0 H GLY A 39 -13.151 -3.608 0.440 1.00 0.44 H new ATOM 0 HA2 GLY A 39 -13.599 -4.849 -1.357 1.00 0.47 H new ATOM 0 HA3 GLY A 39 -14.176 -3.414 -2.180 1.00 0.47 H new ATOM 579 N TYR A 40 -10.979 -4.103 -1.941 1.00 0.35 N ATOM 580 CA TYR A 40 -9.763 -4.182 -2.698 1.00 0.34 C ATOM 581 C TYR A 40 -9.417 -5.623 -2.972 1.00 0.38 C ATOM 582 O TYR A 40 -9.638 -6.492 -2.129 1.00 0.55 O ATOM 583 CB TYR A 40 -8.616 -3.509 -1.965 1.00 0.34 C ATOM 584 CG TYR A 40 -8.018 -2.358 -2.715 1.00 0.48 C ATOM 585 CD1 TYR A 40 -8.624 -1.113 -2.734 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.841 -2.524 -3.408 1.00 0.57 C ATOM 587 CE1 TYR A 40 -8.058 -0.068 -3.432 1.00 0.81 C ATOM 588 CE2 TYR A 40 -6.271 -1.494 -4.101 1.00 0.77 C ATOM 589 CZ TYR A 40 -6.879 -0.273 -4.115 1.00 0.88 C ATOM 590 OH TYR A 40 -6.303 0.741 -4.813 1.00 1.10 O ATOM 0 H TYR A 40 -10.866 -4.261 -0.940 1.00 0.35 H new ATOM 0 HA TYR A 40 -9.919 -3.660 -3.642 1.00 0.34 H new ATOM 0 HB2 TYR A 40 -8.972 -3.156 -0.997 1.00 0.34 H new ATOM 0 HB3 TYR A 40 -7.838 -4.247 -1.769 1.00 0.34 H new ATOM 0 HD1 TYR A 40 -9.548 -0.960 -2.197 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.357 -3.490 -3.404 1.00 0.57 H new ATOM 0 HE1 TYR A 40 -8.534 0.902 -3.443 1.00 0.81 H new ATOM 0 HE2 TYR A 40 -5.344 -1.646 -4.635 1.00 0.77 H new ATOM 0 HH TYR A 40 -6.223 1.530 -4.238 1.00 1.10 H new ATOM 600 N ASP A 41 -8.900 -5.872 -4.146 1.00 0.47 N ATOM 601 CA ASP A 41 -8.480 -7.205 -4.538 1.00 0.57 C ATOM 602 C ASP A 41 -6.992 -7.336 -4.257 1.00 0.43 C ATOM 603 O ASP A 41 -6.287 -6.321 -4.127 1.00 0.37 O ATOM 604 CB ASP A 41 -8.743 -7.423 -6.032 1.00 0.83 C ATOM 605 CG ASP A 41 -8.498 -8.846 -6.500 1.00 1.34 C ATOM 606 OD1 ASP A 41 -7.346 -9.165 -6.902 1.00 1.76 O ATOM 607 OD2 ASP A 41 -9.435 -9.654 -6.489 1.00 1.89 O ATOM 0 H ASP A 41 -8.755 -5.161 -4.863 1.00 0.47 H new ATOM 0 HA ASP A 41 -9.041 -7.952 -3.975 1.00 0.57 H new ATOM 0 HB2 ASP A 41 -9.775 -7.152 -6.252 1.00 0.83 H new ATOM 0 HB3 ASP A 41 -8.107 -6.748 -6.605 1.00 0.83 H new ATOM 612 N SER A 42 -6.515 -8.539 -4.218 1.00 0.49 N ATOM 613 CA SER A 42 -5.138 -8.826 -3.903 1.00 0.49 C ATOM 614 C SER A 42 -4.224 -8.386 -5.041 1.00 0.45 C ATOM 615 O SER A 42 -3.140 -7.850 -4.805 1.00 0.44 O ATOM 616 CB SER A 42 -4.990 -10.302 -3.647 1.00 0.69 C ATOM 617 OG SER A 42 -6.008 -10.716 -2.690 1.00 0.88 O ATOM 0 H SER A 42 -7.076 -9.370 -4.407 1.00 0.49 H new ATOM 0 HA SER A 42 -4.849 -8.272 -3.010 1.00 0.49 H new ATOM 0 HB2 SER A 42 -5.098 -10.859 -4.578 1.00 0.69 H new ATOM 0 HB3 SER A 42 -3.995 -10.520 -3.258 1.00 0.69 H new ATOM 622 N LEU A 43 -4.690 -8.553 -6.274 1.00 0.51 N ATOM 623 CA LEU A 43 -3.910 -8.161 -7.441 1.00 0.59 C ATOM 624 C LEU A 43 -3.815 -6.644 -7.483 1.00 0.51 C ATOM 625 O LEU A 43 -2.808 -6.071 -7.910 1.00 0.55 O ATOM 626 CB LEU A 43 -4.560 -8.685 -8.721 1.00 0.75 C ATOM 627 CG LEU A 43 -4.738 -10.202 -8.815 1.00 0.89 C ATOM 628 CD1 LEU A 43 -5.503 -10.562 -10.070 1.00 1.70 C ATOM 629 CD2 LEU A 43 -3.389 -10.908 -8.796 1.00 1.43 C ATOM 0 H LEU A 43 -5.602 -8.956 -6.490 1.00 0.51 H new ATOM 0 HA LEU A 43 -2.911 -8.590 -7.369 1.00 0.59 H new ATOM 0 HB2 LEU A 43 -5.539 -8.218 -8.824 1.00 0.75 H new ATOM 0 HB3 LEU A 43 -3.959 -8.357 -9.569 1.00 0.75 H new ATOM 0 HG LEU A 43 -5.308 -10.535 -7.948 1.00 0.89 H new ATOM 0 HD11 LEU A 43 -5.623 -11.644 -10.125 1.00 1.70 H new ATOM 0 HD12 LEU A 43 -6.485 -10.089 -10.046 1.00 1.70 H new ATOM 0 HD13 LEU A 43 -4.953 -10.213 -10.944 1.00 1.70 H new ATOM 0 HD21 LEU A 43 -3.541 -11.985 -8.864 1.00 1.43 H new ATOM 0 HD22 LEU A 43 -2.791 -10.572 -9.643 1.00 1.43 H new ATOM 0 HD23 LEU A 43 -2.868 -10.673 -7.868 1.00 1.43 H new ATOM 641 N ALA A 44 -4.853 -6.002 -6.971 1.00 0.46 N ATOM 642 CA ALA A 44 -4.907 -4.561 -6.886 1.00 0.45 C ATOM 643 C ALA A 44 -3.858 -4.062 -5.891 1.00 0.37 C ATOM 644 O ALA A 44 -3.218 -3.028 -6.102 1.00 0.41 O ATOM 645 CB ALA A 44 -6.305 -4.106 -6.484 1.00 0.46 C ATOM 0 H ALA A 44 -5.681 -6.471 -6.603 1.00 0.46 H new ATOM 0 HA ALA A 44 -4.685 -4.135 -7.864 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.330 -3.018 -6.424 1.00 0.46 H new ATOM 0 HB2 ALA A 44 -7.026 -4.445 -7.228 1.00 0.46 H new ATOM 0 HB3 ALA A 44 -6.560 -4.529 -5.512 1.00 0.46 H new ATOM 651 N LEU A 45 -3.667 -4.819 -4.818 1.00 0.31 N ATOM 652 CA LEU A 45 -2.652 -4.509 -3.810 1.00 0.26 C ATOM 653 C LEU A 45 -1.275 -4.687 -4.392 1.00 0.24 C ATOM 654 O LEU A 45 -0.380 -3.881 -4.156 1.00 0.25 O ATOM 655 CB LEU A 45 -2.780 -5.424 -2.605 1.00 0.24 C ATOM 656 CG LEU A 45 -4.100 -5.383 -1.873 1.00 0.26 C ATOM 657 CD1 LEU A 45 -4.068 -6.333 -0.692 1.00 0.27 C ATOM 658 CD2 LEU A 45 -4.388 -3.974 -1.425 1.00 0.30 C ATOM 0 H LEU A 45 -4.206 -5.662 -4.619 1.00 0.31 H new ATOM 0 HA LEU A 45 -2.804 -3.476 -3.498 1.00 0.26 H new ATOM 0 HB2 LEU A 45 -2.602 -6.448 -2.932 1.00 0.24 H new ATOM 0 HB3 LEU A 45 -1.989 -5.173 -1.899 1.00 0.24 H new ATOM 0 HG LEU A 45 -4.898 -5.702 -2.543 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.024 -6.297 -0.170 1.00 0.27 H new ATOM 0 HD12 LEU A 45 -3.886 -7.348 -1.046 1.00 0.27 H new ATOM 0 HD13 LEU A 45 -3.271 -6.038 -0.010 1.00 0.27 H new ATOM 0 HD21 LEU A 45 -5.341 -3.948 -0.897 1.00 0.30 H new ATOM 0 HD22 LEU A 45 -3.595 -3.635 -0.759 1.00 0.30 H new ATOM 0 HD23 LEU A 45 -4.437 -3.319 -2.295 1.00 0.30 H new ATOM 670 N MET A 46 -1.123 -5.735 -5.176 1.00 0.26 N ATOM 671 CA MET A 46 0.143 -6.065 -5.814 1.00 0.28 C ATOM 672 C MET A 46 0.547 -4.975 -6.792 1.00 0.29 C ATOM 673 O MET A 46 1.725 -4.660 -6.929 1.00 0.34 O ATOM 674 CB MET A 46 0.050 -7.423 -6.516 1.00 0.32 C ATOM 675 CG MET A 46 -0.245 -8.574 -5.572 1.00 0.34 C ATOM 676 SD MET A 46 -0.516 -10.146 -6.426 1.00 0.43 S ATOM 677 CE MET A 46 -0.904 -11.214 -5.035 1.00 1.70 C ATOM 0 H MET A 46 -1.876 -6.388 -5.392 1.00 0.26 H new ATOM 0 HA MET A 46 0.913 -6.132 -5.045 1.00 0.28 H new ATOM 0 HB2 MET A 46 -0.730 -7.378 -7.276 1.00 0.32 H new ATOM 0 HB3 MET A 46 0.988 -7.620 -7.034 1.00 0.32 H new ATOM 0 HG2 MET A 46 0.585 -8.685 -4.875 1.00 0.34 H new ATOM 0 HG3 MET A 46 -1.128 -8.333 -4.980 1.00 0.34 H new ATOM 0 HE1 MET A 46 -0.733 -12.253 -5.315 1.00 1.70 H new ATOM 0 HE2 MET A 46 -0.266 -10.956 -4.190 1.00 1.70 H new ATOM 0 HE3 MET A 46 -1.949 -11.081 -4.755 1.00 1.70 H new ATOM 687 N GLU A 47 -0.438 -4.384 -7.453 1.00 0.31 N ATOM 688 CA GLU A 47 -0.189 -3.283 -8.368 1.00 0.38 C ATOM 689 C GLU A 47 0.195 -2.031 -7.562 1.00 0.37 C ATOM 690 O GLU A 47 1.116 -1.304 -7.912 1.00 0.46 O ATOM 691 CB GLU A 47 -1.436 -2.994 -9.197 1.00 0.46 C ATOM 692 CG GLU A 47 -1.174 -2.107 -10.403 1.00 0.87 C ATOM 693 CD GLU A 47 -0.174 -2.726 -11.361 1.00 1.25 C ATOM 694 OE1 GLU A 47 -0.554 -3.591 -12.183 1.00 1.68 O ATOM 695 OE2 GLU A 47 1.014 -2.355 -11.316 1.00 1.92 O ATOM 0 H GLU A 47 -1.419 -4.651 -7.371 1.00 0.31 H new ATOM 0 HA GLU A 47 0.625 -3.554 -9.040 1.00 0.38 H new ATOM 0 HB2 GLU A 47 -1.863 -3.938 -9.537 1.00 0.46 H new ATOM 0 HB3 GLU A 47 -2.182 -2.517 -8.561 1.00 0.46 H new ATOM 0 HG2 GLU A 47 -2.112 -1.923 -10.928 1.00 0.87 H new ATOM 0 HG3 GLU A 47 -0.802 -1.139 -10.067 1.00 0.87 H new ATOM 702 N THR A 48 -0.513 -1.821 -6.471 1.00 0.32 N ATOM 703 CA THR A 48 -0.268 -0.710 -5.575 1.00 0.34 C ATOM 704 C THR A 48 1.164 -0.784 -4.998 1.00 0.30 C ATOM 705 O THR A 48 1.894 0.201 -5.012 1.00 0.36 O ATOM 706 CB THR A 48 -1.330 -0.720 -4.459 1.00 0.35 C ATOM 707 OG1 THR A 48 -2.633 -0.610 -5.072 1.00 0.43 O ATOM 708 CG2 THR A 48 -1.130 0.434 -3.489 1.00 0.39 C ATOM 0 H THR A 48 -1.283 -2.423 -6.179 1.00 0.32 H new ATOM 0 HA THR A 48 -0.346 0.229 -6.123 1.00 0.34 H new ATOM 0 HB THR A 48 -1.240 -1.649 -3.895 1.00 0.35 H new ATOM 0 HG1 THR A 48 -2.982 -1.506 -5.262 1.00 0.43 H new ATOM 0 HG21 THR A 48 -1.897 0.396 -2.715 1.00 0.39 H new ATOM 0 HG22 THR A 48 -0.145 0.356 -3.028 1.00 0.39 H new ATOM 0 HG23 THR A 48 -1.205 1.379 -4.027 1.00 0.39 H new ATOM 716 N ALA A 49 1.558 -1.952 -4.524 1.00 0.26 N ATOM 717 CA ALA A 49 2.910 -2.150 -4.019 1.00 0.25 C ATOM 718 C ALA A 49 3.933 -1.929 -5.139 1.00 0.26 C ATOM 719 O ALA A 49 4.984 -1.331 -4.927 1.00 0.29 O ATOM 720 CB ALA A 49 3.057 -3.544 -3.426 1.00 0.26 C ATOM 0 H ALA A 49 0.963 -2.779 -4.477 1.00 0.26 H new ATOM 0 HA ALA A 49 3.098 -1.421 -3.231 1.00 0.25 H new ATOM 0 HB1 ALA A 49 4.073 -3.676 -3.053 1.00 0.26 H new ATOM 0 HB2 ALA A 49 2.351 -3.667 -2.605 1.00 0.26 H new ATOM 0 HB3 ALA A 49 2.853 -4.290 -4.194 1.00 0.26 H new ATOM 726 N ALA A 50 3.576 -2.360 -6.339 1.00 0.26 N ATOM 727 CA ALA A 50 4.440 -2.246 -7.503 1.00 0.29 C ATOM 728 C ALA A 50 4.683 -0.799 -7.914 1.00 0.27 C ATOM 729 O ALA A 50 5.803 -0.444 -8.328 1.00 0.27 O ATOM 730 CB ALA A 50 3.879 -3.024 -8.658 1.00 0.38 C ATOM 0 H ALA A 50 2.676 -2.800 -6.533 1.00 0.26 H new ATOM 0 HA ALA A 50 5.404 -2.667 -7.218 1.00 0.29 H new ATOM 0 HB1 ALA A 50 4.541 -2.925 -9.519 1.00 0.38 H new ATOM 0 HB2 ALA A 50 3.796 -4.075 -8.383 1.00 0.38 H new ATOM 0 HB3 ALA A 50 2.892 -2.637 -8.913 1.00 0.38 H new ATOM 736 N ARG A 51 3.662 0.046 -7.809 1.00 0.31 N ATOM 737 CA ARG A 51 3.837 1.449 -8.161 1.00 0.34 C ATOM 738 C ARG A 51 4.780 2.106 -7.161 1.00 0.32 C ATOM 739 O ARG A 51 5.567 2.978 -7.505 1.00 0.37 O ATOM 740 CB ARG A 51 2.498 2.219 -8.256 1.00 0.45 C ATOM 741 CG ARG A 51 1.795 2.515 -6.936 1.00 0.79 C ATOM 742 CD ARG A 51 0.507 3.308 -7.144 1.00 0.94 C ATOM 743 NE ARG A 51 -0.583 2.521 -7.750 1.00 1.04 N ATOM 744 CZ ARG A 51 -0.864 2.453 -9.077 1.00 1.71 C ATOM 745 NH1 ARG A 51 -0.105 3.098 -9.966 1.00 1.90 N ATOM 746 NH2 ARG A 51 -1.912 1.760 -9.487 1.00 2.54 N ATOM 0 H ARG A 51 2.727 -0.208 -7.491 1.00 0.31 H new ATOM 0 HA ARG A 51 4.274 1.490 -9.159 1.00 0.34 H new ATOM 0 HB2 ARG A 51 2.682 3.165 -8.765 1.00 0.45 H new ATOM 0 HB3 ARG A 51 1.817 1.646 -8.885 1.00 0.45 H new ATOM 0 HG2 ARG A 51 1.567 1.578 -6.428 1.00 0.79 H new ATOM 0 HG3 ARG A 51 2.466 3.076 -6.285 1.00 0.79 H new ATOM 0 HD2 ARG A 51 0.171 3.697 -6.183 1.00 0.94 H new ATOM 0 HD3 ARG A 51 0.719 4.168 -7.779 1.00 0.94 H new ATOM 0 HE ARG A 51 -1.176 1.982 -7.119 1.00 1.04 H new ATOM 0 HH11 ARG A 51 0.694 3.648 -9.651 1.00 1.90 H new ATOM 0 HH12 ARG A 51 -0.324 3.041 -10.961 1.00 1.90 H new ATOM 0 HH21 ARG A 51 -2.504 1.281 -8.808 1.00 2.54 H new ATOM 0 HH22 ARG A 51 -2.129 1.705 -10.482 1.00 2.54 H new ATOM 760 N LEU A 52 4.740 1.608 -5.934 1.00 0.29 N ATOM 761 CA LEU A 52 5.591 2.089 -4.878 1.00 0.30 C ATOM 762 C LEU A 52 7.021 1.625 -5.104 1.00 0.29 C ATOM 763 O LEU A 52 7.964 2.354 -4.804 1.00 0.34 O ATOM 764 CB LEU A 52 5.057 1.650 -3.513 1.00 0.30 C ATOM 765 CG LEU A 52 3.671 2.198 -3.156 1.00 0.34 C ATOM 766 CD1 LEU A 52 3.193 1.654 -1.825 1.00 0.37 C ATOM 767 CD2 LEU A 52 3.695 3.712 -3.128 1.00 0.40 C ATOM 0 H LEU A 52 4.111 0.857 -5.651 1.00 0.29 H new ATOM 0 HA LEU A 52 5.591 3.179 -4.889 1.00 0.30 H new ATOM 0 HB2 LEU A 52 5.019 0.561 -3.487 1.00 0.30 H new ATOM 0 HB3 LEU A 52 5.764 1.963 -2.745 1.00 0.30 H new ATOM 0 HG LEU A 52 2.971 1.870 -3.925 1.00 0.34 H new ATOM 0 HD11 LEU A 52 2.207 2.060 -1.599 1.00 0.37 H new ATOM 0 HD12 LEU A 52 3.134 0.567 -1.876 1.00 0.37 H new ATOM 0 HD13 LEU A 52 3.893 1.943 -1.041 1.00 0.37 H new ATOM 0 HD21 LEU A 52 2.704 4.087 -2.873 1.00 0.40 H new ATOM 0 HD22 LEU A 52 4.414 4.051 -2.382 1.00 0.40 H new ATOM 0 HD23 LEU A 52 3.985 4.089 -4.109 1.00 0.40 H new ATOM 779 N GLU A 53 7.178 0.423 -5.669 1.00 0.28 N ATOM 780 CA GLU A 53 8.500 -0.090 -6.047 1.00 0.30 C ATOM 781 C GLU A 53 9.132 0.862 -7.037 1.00 0.35 C ATOM 782 O GLU A 53 10.231 1.378 -6.826 1.00 0.40 O ATOM 783 CB GLU A 53 8.409 -1.426 -6.774 1.00 0.34 C ATOM 784 CG GLU A 53 7.784 -2.576 -6.053 1.00 0.37 C ATOM 785 CD GLU A 53 7.878 -3.803 -6.914 1.00 0.48 C ATOM 786 OE1 GLU A 53 7.001 -4.024 -7.773 1.00 0.64 O ATOM 787 OE2 GLU A 53 8.865 -4.525 -6.805 1.00 0.51 O ATOM 0 H GLU A 53 6.407 -0.212 -5.875 1.00 0.28 H new ATOM 0 HA GLU A 53 9.072 -0.198 -5.125 1.00 0.30 H new ATOM 0 HB2 GLU A 53 7.850 -1.267 -7.696 1.00 0.34 H new ATOM 0 HB3 GLU A 53 9.419 -1.720 -7.060 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.290 -2.744 -5.102 1.00 0.37 H new ATOM 0 HG3 GLU A 53 6.741 -2.355 -5.825 1.00 0.37 H new ATOM 794 N SER A 54 8.377 1.122 -8.089 1.00 0.39 N ATOM 795 CA SER A 54 8.801 1.917 -9.213 1.00 0.49 C ATOM 796 C SER A 54 9.044 3.382 -8.806 1.00 0.49 C ATOM 797 O SER A 54 9.816 4.106 -9.449 1.00 0.61 O ATOM 798 CB SER A 54 7.735 1.809 -10.322 1.00 0.59 C ATOM 799 OG SER A 54 8.173 2.382 -11.540 1.00 1.33 O ATOM 0 H SER A 54 7.423 0.772 -8.182 1.00 0.39 H new ATOM 0 HA SER A 54 9.752 1.538 -9.587 1.00 0.49 H new ATOM 0 HB2 SER A 54 7.486 0.760 -10.484 1.00 0.59 H new ATOM 0 HB3 SER A 54 6.822 2.306 -9.996 1.00 0.59 H new ATOM 0 HG SER A 54 7.469 2.291 -12.216 1.00 1.33 H new ATOM 805 N ARG A 55 8.408 3.802 -7.737 1.00 0.44 N ATOM 806 CA ARG A 55 8.542 5.151 -7.248 1.00 0.53 C ATOM 807 C ARG A 55 9.696 5.282 -6.249 1.00 0.54 C ATOM 808 O ARG A 55 10.610 6.080 -6.449 1.00 0.65 O ATOM 809 CB ARG A 55 7.216 5.600 -6.604 1.00 0.64 C ATOM 810 CG ARG A 55 7.225 6.985 -5.957 1.00 0.85 C ATOM 811 CD ARG A 55 7.603 8.076 -6.933 1.00 1.12 C ATOM 812 NE ARG A 55 6.711 8.126 -8.098 1.00 1.94 N ATOM 813 CZ ARG A 55 7.020 8.713 -9.254 1.00 2.78 C ATOM 814 NH1 ARG A 55 8.255 9.165 -9.455 1.00 3.05 N ATOM 815 NH2 ARG A 55 6.114 8.803 -10.226 1.00 3.79 N ATOM 0 H ARG A 55 7.783 3.216 -7.183 1.00 0.44 H new ATOM 0 HA ARG A 55 8.774 5.798 -8.094 1.00 0.53 H new ATOM 0 HB2 ARG A 55 6.439 5.582 -7.368 1.00 0.64 H new ATOM 0 HB3 ARG A 55 6.936 4.868 -5.847 1.00 0.64 H new ATOM 0 HG2 ARG A 55 6.238 7.196 -5.544 1.00 0.85 H new ATOM 0 HG3 ARG A 55 7.927 6.989 -5.123 1.00 0.85 H new ATOM 0 HD2 ARG A 55 7.582 9.039 -6.422 1.00 1.12 H new ATOM 0 HD3 ARG A 55 8.627 7.917 -7.271 1.00 1.12 H new ATOM 0 HE ARG A 55 5.796 7.683 -8.018 1.00 1.94 H new ATOM 0 HH11 ARG A 55 8.961 9.062 -8.726 1.00 3.05 H new ATOM 0 HH12 ARG A 55 8.496 9.615 -10.338 1.00 3.05 H new ATOM 0 HH21 ARG A 55 5.178 8.422 -10.088 1.00 3.79 H new ATOM 0 HH22 ARG A 55 6.356 9.253 -11.109 1.00 3.79 H new ATOM 829 N TYR A 56 9.695 4.459 -5.232 1.00 0.53 N ATOM 830 CA TYR A 56 10.634 4.617 -4.132 1.00 0.62 C ATOM 831 C TYR A 56 11.943 3.865 -4.322 1.00 0.66 C ATOM 832 O TYR A 56 12.942 4.165 -3.656 1.00 0.75 O ATOM 833 CB TYR A 56 9.953 4.303 -2.797 1.00 0.66 C ATOM 834 CG TYR A 56 8.816 5.265 -2.522 1.00 0.74 C ATOM 835 CD1 TYR A 56 9.052 6.481 -1.912 1.00 0.90 C ATOM 836 CD2 TYR A 56 7.518 4.984 -2.928 1.00 0.75 C ATOM 837 CE1 TYR A 56 8.041 7.387 -1.713 1.00 1.03 C ATOM 838 CE2 TYR A 56 6.498 5.886 -2.722 1.00 0.88 C ATOM 839 CZ TYR A 56 6.768 7.087 -2.118 1.00 1.01 C ATOM 840 OH TYR A 56 5.763 8.006 -1.941 1.00 1.17 O ATOM 0 H TYR A 56 9.057 3.669 -5.135 1.00 0.53 H new ATOM 0 HA TYR A 56 10.932 5.665 -4.120 1.00 0.62 H new ATOM 0 HB2 TYR A 56 9.573 3.281 -2.811 1.00 0.66 H new ATOM 0 HB3 TYR A 56 10.684 4.360 -1.991 1.00 0.66 H new ATOM 0 HD1 TYR A 56 10.052 6.724 -1.585 1.00 0.90 H new ATOM 0 HD2 TYR A 56 7.305 4.043 -3.413 1.00 0.75 H new ATOM 0 HE1 TYR A 56 8.249 8.334 -1.238 1.00 1.03 H new ATOM 0 HE2 TYR A 56 5.492 5.649 -3.034 1.00 0.88 H new ATOM 0 HH TYR A 56 4.988 7.752 -2.485 1.00 1.17 H new ATOM 850 N GLY A 57 11.961 2.924 -5.232 1.00 0.65 N ATOM 851 CA GLY A 57 13.184 2.217 -5.513 1.00 0.74 C ATOM 852 C GLY A 57 13.352 0.990 -4.665 1.00 0.73 C ATOM 853 O GLY A 57 14.223 0.940 -3.783 1.00 0.91 O ATOM 0 H GLY A 57 11.154 2.633 -5.784 1.00 0.65 H new ATOM 0 HA2 GLY A 57 13.200 1.932 -6.565 1.00 0.74 H new ATOM 0 HA3 GLY A 57 14.030 2.885 -5.351 1.00 0.74 H new ATOM 857 N VAL A 58 12.531 0.013 -4.912 1.00 0.59 N ATOM 858 CA VAL A 58 12.584 -1.230 -4.198 1.00 0.61 C ATOM 859 C VAL A 58 12.010 -2.308 -5.110 1.00 0.56 C ATOM 860 O VAL A 58 11.439 -1.979 -6.154 1.00 0.62 O ATOM 861 CB VAL A 58 11.796 -1.150 -2.833 1.00 0.64 C ATOM 862 CG1 VAL A 58 10.285 -1.011 -3.028 1.00 1.15 C ATOM 863 CG2 VAL A 58 12.141 -2.295 -1.890 1.00 1.17 C ATOM 0 H VAL A 58 11.799 0.056 -5.621 1.00 0.59 H new ATOM 0 HA VAL A 58 13.615 -1.467 -3.937 1.00 0.61 H new ATOM 0 HB VAL A 58 12.134 -0.232 -2.352 1.00 0.64 H new ATOM 0 HG11 VAL A 58 9.796 -0.961 -2.055 1.00 1.15 H new ATOM 0 HG12 VAL A 58 10.073 -0.101 -3.588 1.00 1.15 H new ATOM 0 HG13 VAL A 58 9.909 -1.873 -3.579 1.00 1.15 H new ATOM 0 HG21 VAL A 58 11.571 -2.191 -0.967 1.00 1.17 H new ATOM 0 HG22 VAL A 58 11.893 -3.244 -2.364 1.00 1.17 H new ATOM 0 HG23 VAL A 58 13.207 -2.271 -1.663 1.00 1.17 H new ATOM 873 N SER A 59 12.176 -3.550 -4.761 1.00 0.56 N ATOM 874 CA SER A 59 11.605 -4.624 -5.508 1.00 0.58 C ATOM 875 C SER A 59 11.009 -5.654 -4.548 1.00 0.58 C ATOM 876 O SER A 59 11.717 -6.255 -3.726 1.00 0.72 O ATOM 877 CB SER A 59 12.649 -5.233 -6.451 1.00 0.76 C ATOM 878 OG SER A 59 13.131 -4.243 -7.372 1.00 1.60 O ATOM 0 H SER A 59 12.714 -3.844 -3.946 1.00 0.56 H new ATOM 0 HA SER A 59 10.796 -4.251 -6.136 1.00 0.58 H new ATOM 0 HB2 SER A 59 13.480 -5.635 -5.872 1.00 0.76 H new ATOM 0 HB3 SER A 59 12.210 -6.066 -7.000 1.00 0.76 H new ATOM 0 HG SER A 59 13.798 -4.646 -7.966 1.00 1.60 H new ATOM 884 N ILE A 60 9.711 -5.801 -4.620 1.00 0.50 N ATOM 885 CA ILE A 60 8.958 -6.683 -3.756 1.00 0.54 C ATOM 886 C ILE A 60 8.019 -7.544 -4.605 1.00 0.51 C ATOM 887 O ILE A 60 7.205 -7.015 -5.373 1.00 0.54 O ATOM 888 CB ILE A 60 8.127 -5.882 -2.697 1.00 0.63 C ATOM 889 CG1 ILE A 60 9.060 -5.040 -1.804 1.00 0.77 C ATOM 890 CG2 ILE A 60 7.277 -6.826 -1.842 1.00 0.71 C ATOM 891 CD1 ILE A 60 8.344 -4.186 -0.780 1.00 0.95 C ATOM 0 H ILE A 60 9.132 -5.301 -5.295 1.00 0.50 H new ATOM 0 HA ILE A 60 9.663 -7.316 -3.217 1.00 0.54 H new ATOM 0 HB ILE A 60 7.456 -5.209 -3.231 1.00 0.63 H new ATOM 0 HG12 ILE A 60 9.747 -5.709 -1.285 1.00 0.77 H new ATOM 0 HG13 ILE A 60 9.665 -4.393 -2.440 1.00 0.77 H new ATOM 0 HG21 ILE A 60 6.709 -6.246 -1.114 1.00 0.71 H new ATOM 0 HG22 ILE A 60 6.589 -7.377 -2.483 1.00 0.71 H new ATOM 0 HG23 ILE A 60 7.927 -7.528 -1.319 1.00 0.71 H new ATOM 0 HD11 ILE A 60 9.076 -3.628 -0.196 1.00 0.95 H new ATOM 0 HD12 ILE A 60 7.678 -3.489 -1.289 1.00 0.95 H new ATOM 0 HD13 ILE A 60 7.762 -4.825 -0.116 1.00 0.95 H new ATOM 903 N PRO A 61 8.162 -8.876 -4.515 1.00 0.54 N ATOM 904 CA PRO A 61 7.314 -9.826 -5.241 1.00 0.59 C ATOM 905 C PRO A 61 5.817 -9.624 -4.953 1.00 0.59 C ATOM 906 O PRO A 61 5.417 -9.349 -3.808 1.00 0.52 O ATOM 907 CB PRO A 61 7.780 -11.182 -4.707 1.00 0.67 C ATOM 908 CG PRO A 61 9.180 -10.948 -4.283 1.00 0.69 C ATOM 909 CD PRO A 61 9.191 -9.569 -3.716 1.00 0.61 C ATOM 0 HA PRO A 61 7.409 -9.714 -6.321 1.00 0.59 H new ATOM 0 HB2 PRO A 61 7.162 -11.514 -3.873 1.00 0.67 H new ATOM 0 HB3 PRO A 61 7.721 -11.953 -5.475 1.00 0.67 H new ATOM 0 HG2 PRO A 61 9.495 -11.682 -3.541 1.00 0.69 H new ATOM 0 HG3 PRO A 61 9.866 -11.033 -5.126 1.00 0.69 H new ATOM 0 HD2 PRO A 61 8.947 -9.567 -2.654 1.00 0.61 H new ATOM 0 HD3 PRO A 61 10.168 -9.097 -3.819 1.00 0.61 H new ATOM 917 N ASP A 62 5.004 -9.790 -5.995 1.00 0.75 N ATOM 918 CA ASP A 62 3.540 -9.610 -5.937 1.00 0.87 C ATOM 919 C ASP A 62 2.928 -10.440 -4.824 1.00 0.73 C ATOM 920 O ASP A 62 2.098 -9.960 -4.058 1.00 0.69 O ATOM 921 CB ASP A 62 2.877 -10.032 -7.263 1.00 1.19 C ATOM 922 CG ASP A 62 3.288 -9.209 -8.457 1.00 1.52 C ATOM 923 OD1 ASP A 62 4.387 -9.437 -8.989 1.00 1.63 O ATOM 924 OD2 ASP A 62 2.500 -8.342 -8.913 1.00 2.19 O ATOM 0 H ASP A 62 5.341 -10.057 -6.920 1.00 0.75 H new ATOM 0 HA ASP A 62 3.362 -8.551 -5.751 1.00 0.87 H new ATOM 0 HB2 ASP A 62 3.117 -11.077 -7.458 1.00 1.19 H new ATOM 0 HB3 ASP A 62 1.795 -9.969 -7.150 1.00 1.19 H new ATOM 929 N ASP A 63 3.393 -11.672 -4.707 1.00 0.74 N ATOM 930 CA ASP A 63 2.876 -12.645 -3.728 1.00 0.75 C ATOM 931 C ASP A 63 3.057 -12.191 -2.276 1.00 0.61 C ATOM 932 O ASP A 63 2.414 -12.718 -1.371 1.00 0.75 O ATOM 933 CB ASP A 63 3.509 -14.035 -3.923 1.00 0.88 C ATOM 934 CG ASP A 63 4.998 -14.080 -3.636 1.00 1.60 C ATOM 935 OD1 ASP A 63 5.799 -13.863 -4.576 1.00 2.48 O ATOM 936 OD2 ASP A 63 5.393 -14.354 -2.474 1.00 1.99 O ATOM 0 H ASP A 63 4.146 -12.039 -5.288 1.00 0.74 H new ATOM 0 HA ASP A 63 1.805 -12.710 -3.919 1.00 0.75 H new ATOM 0 HB2 ASP A 63 3.002 -14.748 -3.273 1.00 0.88 H new ATOM 0 HB3 ASP A 63 3.337 -14.361 -4.949 1.00 0.88 H new ATOM 941 N VAL A 64 3.912 -11.219 -2.048 1.00 0.48 N ATOM 942 CA VAL A 64 4.127 -10.700 -0.706 1.00 0.42 C ATOM 943 C VAL A 64 2.985 -9.746 -0.337 1.00 0.34 C ATOM 944 O VAL A 64 2.530 -9.693 0.808 1.00 0.39 O ATOM 945 CB VAL A 64 5.478 -9.956 -0.607 1.00 0.44 C ATOM 946 CG1 VAL A 64 5.736 -9.481 0.809 1.00 0.53 C ATOM 947 CG2 VAL A 64 6.617 -10.840 -1.075 1.00 0.56 C ATOM 0 H VAL A 64 4.472 -10.769 -2.772 1.00 0.48 H new ATOM 0 HA VAL A 64 4.148 -11.540 -0.011 1.00 0.42 H new ATOM 0 HB VAL A 64 5.423 -9.084 -1.259 1.00 0.44 H new ATOM 0 HG11 VAL A 64 6.693 -8.961 0.850 1.00 0.53 H new ATOM 0 HG12 VAL A 64 4.941 -8.802 1.115 1.00 0.53 H new ATOM 0 HG13 VAL A 64 5.760 -10.338 1.482 1.00 0.53 H new ATOM 0 HG21 VAL A 64 7.557 -10.294 -0.996 1.00 0.56 H new ATOM 0 HG22 VAL A 64 6.663 -11.734 -0.453 1.00 0.56 H new ATOM 0 HG23 VAL A 64 6.451 -11.128 -2.113 1.00 0.56 H new ATOM 957 N ALA A 65 2.463 -9.065 -1.344 1.00 0.34 N ATOM 958 CA ALA A 65 1.402 -8.084 -1.156 1.00 0.39 C ATOM 959 C ALA A 65 0.057 -8.769 -0.949 1.00 0.43 C ATOM 960 O ALA A 65 -0.950 -8.125 -0.733 1.00 0.51 O ATOM 961 CB ALA A 65 1.346 -7.124 -2.330 1.00 0.47 C ATOM 0 H ALA A 65 2.761 -9.175 -2.313 1.00 0.34 H new ATOM 0 HA ALA A 65 1.627 -7.509 -0.257 1.00 0.39 H new ATOM 0 HB1 ALA A 65 0.547 -6.400 -2.170 1.00 0.47 H new ATOM 0 HB2 ALA A 65 2.298 -6.601 -2.418 1.00 0.47 H new ATOM 0 HB3 ALA A 65 1.152 -7.681 -3.247 1.00 0.47 H new ATOM 967 N GLY A 66 0.063 -10.083 -1.004 1.00 0.49 N ATOM 968 CA GLY A 66 -1.133 -10.833 -0.744 1.00 0.62 C ATOM 969 C GLY A 66 -1.302 -11.083 0.742 1.00 0.64 C ATOM 970 O GLY A 66 -2.325 -11.590 1.182 1.00 0.97 O ATOM 0 H GLY A 66 0.883 -10.647 -1.226 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -1.998 -10.291 -1.126 1.00 0.62 H new ATOM 0 HA3 GLY A 66 -1.093 -11.784 -1.275 1.00 0.62 H new ATOM 974 N ARG A 67 -0.289 -10.720 1.518 1.00 0.53 N ATOM 975 CA ARG A 67 -0.328 -10.930 2.958 1.00 0.60 C ATOM 976 C ARG A 67 -0.571 -9.637 3.724 1.00 0.51 C ATOM 977 O ARG A 67 -0.642 -9.635 4.952 1.00 0.72 O ATOM 978 CB ARG A 67 0.941 -11.605 3.456 1.00 0.77 C ATOM 979 CG ARG A 67 1.126 -13.033 2.971 1.00 1.22 C ATOM 980 CD ARG A 67 2.362 -13.670 3.596 1.00 1.33 C ATOM 981 NE ARG A 67 3.627 -13.058 3.143 1.00 2.02 N ATOM 982 CZ ARG A 67 4.392 -12.220 3.873 1.00 2.59 C ATOM 983 NH1 ARG A 67 3.935 -11.715 5.014 1.00 2.75 N ATOM 984 NH2 ARG A 67 5.605 -11.888 3.452 1.00 3.52 N ATOM 0 H ARG A 67 0.566 -10.281 1.176 1.00 0.53 H new ATOM 0 HA ARG A 67 -1.173 -11.592 3.149 1.00 0.60 H new ATOM 0 HB2 ARG A 67 1.800 -11.013 3.140 1.00 0.77 H new ATOM 0 HB3 ARG A 67 0.935 -11.603 4.546 1.00 0.77 H new ATOM 0 HG2 ARG A 67 0.244 -13.622 3.221 1.00 1.22 H new ATOM 0 HG3 ARG A 67 1.218 -13.042 1.885 1.00 1.22 H new ATOM 0 HD2 ARG A 67 2.295 -13.588 4.681 1.00 1.33 H new ATOM 0 HD3 ARG A 67 2.375 -14.733 3.357 1.00 1.33 H new ATOM 0 HE ARG A 67 3.948 -13.287 2.202 1.00 2.02 H new ATOM 0 HH11 ARG A 67 3.001 -11.960 5.342 1.00 2.75 H new ATOM 0 HH12 ARG A 67 4.518 -11.082 5.561 1.00 2.75 H new ATOM 0 HH21 ARG A 67 5.962 -12.266 2.574 1.00 3.52 H new ATOM 0 HH22 ARG A 67 6.181 -11.254 4.006 1.00 3.52 H new ATOM 998 N VAL A 68 -0.691 -8.539 3.023 1.00 0.37 N ATOM 999 CA VAL A 68 -0.976 -7.290 3.683 1.00 0.35 C ATOM 1000 C VAL A 68 -2.493 -7.094 3.722 1.00 0.37 C ATOM 1001 O VAL A 68 -3.133 -6.828 2.721 1.00 0.50 O ATOM 1002 CB VAL A 68 -0.216 -6.082 3.029 1.00 0.34 C ATOM 1003 CG1 VAL A 68 1.282 -6.246 3.230 1.00 0.38 C ATOM 1004 CG2 VAL A 68 -0.509 -5.933 1.542 1.00 0.34 C ATOM 0 H VAL A 68 -0.597 -8.483 2.009 1.00 0.37 H new ATOM 0 HA VAL A 68 -0.603 -7.327 4.706 1.00 0.35 H new ATOM 0 HB VAL A 68 -0.574 -5.179 3.524 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.804 -5.405 2.774 1.00 0.38 H new ATOM 0 HG12 VAL A 68 1.505 -6.277 4.297 1.00 0.38 H new ATOM 0 HG13 VAL A 68 1.612 -7.174 2.764 1.00 0.38 H new ATOM 0 HG21 VAL A 68 0.044 -5.082 1.146 1.00 0.34 H new ATOM 0 HG22 VAL A 68 -0.204 -6.839 1.019 1.00 0.34 H new ATOM 0 HG23 VAL A 68 -1.577 -5.771 1.396 1.00 0.34 H new ATOM 1014 N ASP A 69 -3.056 -7.308 4.885 1.00 0.37 N ATOM 1015 CA ASP A 69 -4.503 -7.287 5.053 1.00 0.43 C ATOM 1016 C ASP A 69 -5.025 -5.874 5.279 1.00 0.32 C ATOM 1017 O ASP A 69 -6.161 -5.543 4.906 1.00 0.36 O ATOM 1018 CB ASP A 69 -4.899 -8.196 6.209 1.00 0.60 C ATOM 1019 CG ASP A 69 -6.382 -8.371 6.334 1.00 1.18 C ATOM 1020 OD1 ASP A 69 -6.953 -9.216 5.613 1.00 1.45 O ATOM 1021 OD2 ASP A 69 -6.998 -7.714 7.167 1.00 1.88 O ATOM 0 H ASP A 69 -2.536 -7.501 5.741 1.00 0.37 H new ATOM 0 HA ASP A 69 -4.957 -7.655 4.133 1.00 0.43 H new ATOM 0 HB2 ASP A 69 -4.434 -9.172 6.072 1.00 0.60 H new ATOM 0 HB3 ASP A 69 -4.508 -7.784 7.139 1.00 0.60 H new ATOM 1026 N THR A 70 -4.204 -5.052 5.882 1.00 0.27 N ATOM 1027 CA THR A 70 -4.539 -3.682 6.136 1.00 0.26 C ATOM 1028 C THR A 70 -3.452 -2.769 5.518 1.00 0.24 C ATOM 1029 O THR A 70 -2.301 -3.215 5.321 1.00 0.26 O ATOM 1030 CB THR A 70 -4.685 -3.436 7.662 1.00 0.35 C ATOM 1031 OG1 THR A 70 -3.496 -3.853 8.336 1.00 0.43 O ATOM 1032 CG2 THR A 70 -5.875 -4.209 8.228 1.00 0.39 C ATOM 0 H THR A 70 -3.277 -5.321 6.212 1.00 0.27 H new ATOM 0 HA THR A 70 -5.497 -3.445 5.673 1.00 0.26 H new ATOM 0 HB THR A 70 -4.849 -2.370 7.819 1.00 0.35 H new ATOM 0 HG1 THR A 70 -3.593 -3.694 9.298 1.00 0.43 H new ATOM 0 HG21 THR A 70 -5.956 -4.020 9.298 1.00 0.39 H new ATOM 0 HG22 THR A 70 -6.789 -3.884 7.732 1.00 0.39 H new ATOM 0 HG23 THR A 70 -5.730 -5.276 8.058 1.00 0.39 H new ATOM 1040 N PRO A 71 -3.788 -1.502 5.164 1.00 0.25 N ATOM 1041 CA PRO A 71 -2.851 -0.563 4.521 1.00 0.28 C ATOM 1042 C PRO A 71 -1.600 -0.292 5.346 1.00 0.27 C ATOM 1043 O PRO A 71 -0.541 0.006 4.786 1.00 0.30 O ATOM 1044 CB PRO A 71 -3.673 0.718 4.361 1.00 0.34 C ATOM 1045 CG PRO A 71 -5.077 0.249 4.355 1.00 0.34 C ATOM 1046 CD PRO A 71 -5.117 -0.892 5.324 1.00 0.28 C ATOM 0 HA PRO A 71 -2.474 -0.969 3.583 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -3.489 1.414 5.179 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -3.423 1.239 3.437 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -5.759 1.045 4.656 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -5.381 -0.071 3.358 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -5.285 -0.550 6.345 1.00 0.28 H new ATOM 0 HD3 PRO A 71 -5.916 -1.595 5.088 1.00 0.28 H new ATOM 1054 N ARG A 72 -1.712 -0.424 6.662 1.00 0.28 N ATOM 1055 CA ARG A 72 -0.587 -0.207 7.565 1.00 0.35 C ATOM 1056 C ARG A 72 0.535 -1.168 7.215 1.00 0.30 C ATOM 1057 O ARG A 72 1.711 -0.782 7.132 1.00 0.34 O ATOM 1058 CB ARG A 72 -1.004 -0.488 8.989 1.00 0.48 C ATOM 1059 CG ARG A 72 0.067 -0.180 10.018 1.00 0.98 C ATOM 1060 CD ARG A 72 -0.231 -0.870 11.322 1.00 0.89 C ATOM 1061 NE ARG A 72 -1.547 -0.535 11.835 1.00 0.94 N ATOM 1062 CZ ARG A 72 -2.544 -1.418 11.981 1.00 1.42 C ATOM 1063 NH1 ARG A 72 -2.434 -2.665 11.478 1.00 2.05 N ATOM 1064 NH2 ARG A 72 -3.661 -1.043 12.582 1.00 1.73 N ATOM 0 H ARG A 72 -2.580 -0.683 7.132 1.00 0.28 H new ATOM 0 HA ARG A 72 -0.258 0.827 7.465 1.00 0.35 H new ATOM 0 HB2 ARG A 72 -1.893 0.099 9.219 1.00 0.48 H new ATOM 0 HB3 ARG A 72 -1.284 -1.538 9.074 1.00 0.48 H new ATOM 0 HG2 ARG A 72 1.039 -0.502 9.645 1.00 0.98 H new ATOM 0 HG3 ARG A 72 0.127 0.897 10.176 1.00 0.98 H new ATOM 0 HD2 ARG A 72 -0.161 -1.949 11.184 1.00 0.89 H new ATOM 0 HD3 ARG A 72 0.524 -0.594 12.058 1.00 0.89 H new ATOM 0 HE ARG A 72 -1.724 0.434 12.101 1.00 0.94 H new ATOM 0 HH11 ARG A 72 -1.587 -2.942 10.982 1.00 2.05 H new ATOM 0 HH12 ARG A 72 -3.198 -3.331 11.594 1.00 2.05 H new ATOM 0 HH21 ARG A 72 -3.758 -0.089 12.929 1.00 1.73 H new ATOM 0 HH22 ARG A 72 -4.426 -1.708 12.698 1.00 1.73 H new ATOM 1078 N GLU A 73 0.141 -2.404 6.974 1.00 0.27 N ATOM 1079 CA GLU A 73 1.051 -3.479 6.675 1.00 0.29 C ATOM 1080 C GLU A 73 1.707 -3.233 5.324 1.00 0.25 C ATOM 1081 O GLU A 73 2.890 -3.446 5.161 1.00 0.27 O ATOM 1082 CB GLU A 73 0.291 -4.803 6.627 1.00 0.37 C ATOM 1083 CG GLU A 73 -0.682 -5.022 7.779 1.00 0.55 C ATOM 1084 CD GLU A 73 -0.056 -4.933 9.150 1.00 1.45 C ATOM 1085 OE1 GLU A 73 0.635 -5.903 9.556 1.00 1.78 O ATOM 1086 OE2 GLU A 73 -0.261 -3.913 9.851 1.00 2.23 O ATOM 0 H GLU A 73 -0.839 -2.688 6.982 1.00 0.27 H new ATOM 0 HA GLU A 73 1.814 -3.524 7.452 1.00 0.29 H new ATOM 0 HB2 GLU A 73 -0.261 -4.855 5.689 1.00 0.37 H new ATOM 0 HB3 GLU A 73 1.012 -5.620 6.619 1.00 0.37 H new ATOM 0 HG2 GLU A 73 -1.481 -4.284 7.709 1.00 0.55 H new ATOM 0 HG3 GLU A 73 -1.144 -6.003 7.667 1.00 0.55 H new ATOM 1093 N LEU A 74 0.913 -2.755 4.369 1.00 0.24 N ATOM 1094 CA LEU A 74 1.386 -2.479 3.005 1.00 0.24 C ATOM 1095 C LEU A 74 2.450 -1.360 3.070 1.00 0.24 C ATOM 1096 O LEU A 74 3.512 -1.456 2.448 1.00 0.27 O ATOM 1097 CB LEU A 74 0.169 -2.063 2.121 1.00 0.27 C ATOM 1098 CG LEU A 74 0.279 -2.204 0.570 1.00 0.27 C ATOM 1099 CD1 LEU A 74 -1.034 -1.815 -0.083 1.00 1.17 C ATOM 1100 CD2 LEU A 74 1.406 -1.366 -0.021 1.00 1.14 C ATOM 0 H LEU A 74 -0.075 -2.547 4.513 1.00 0.24 H new ATOM 0 HA LEU A 74 1.841 -3.364 2.560 1.00 0.24 H new ATOM 0 HB2 LEU A 74 -0.690 -2.651 2.445 1.00 0.27 H new ATOM 0 HB3 LEU A 74 -0.057 -1.020 2.342 1.00 0.27 H new ATOM 0 HG LEU A 74 0.508 -3.250 0.366 1.00 0.27 H new ATOM 0 HD11 LEU A 74 -0.947 -1.917 -1.165 1.00 1.17 H new ATOM 0 HD12 LEU A 74 -1.828 -2.467 0.280 1.00 1.17 H new ATOM 0 HD13 LEU A 74 -1.272 -0.781 0.166 1.00 1.17 H new ATOM 0 HD21 LEU A 74 1.434 -1.504 -1.102 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.234 -0.314 0.206 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.357 -1.680 0.410 1.00 1.14 H new ATOM 1112 N LEU A 75 2.154 -0.337 3.867 1.00 0.23 N ATOM 1113 CA LEU A 75 3.043 0.809 4.088 1.00 0.25 C ATOM 1114 C LEU A 75 4.361 0.296 4.656 1.00 0.25 C ATOM 1115 O LEU A 75 5.454 0.600 4.141 1.00 0.26 O ATOM 1116 CB LEU A 75 2.358 1.753 5.118 1.00 0.28 C ATOM 1117 CG LEU A 75 2.885 3.197 5.310 1.00 0.36 C ATOM 1118 CD1 LEU A 75 1.969 3.961 6.231 1.00 0.60 C ATOM 1119 CD2 LEU A 75 4.233 3.202 5.919 1.00 0.59 C ATOM 0 H LEU A 75 1.278 -0.276 4.387 1.00 0.23 H new ATOM 0 HA LEU A 75 3.234 1.346 3.159 1.00 0.25 H new ATOM 0 HB2 LEU A 75 1.306 1.825 4.843 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.401 1.260 6.089 1.00 0.28 H new ATOM 0 HG LEU A 75 2.925 3.660 4.324 1.00 0.36 H new ATOM 0 HD11 LEU A 75 2.347 4.975 6.361 1.00 0.60 H new ATOM 0 HD12 LEU A 75 0.969 3.999 5.800 1.00 0.60 H new ATOM 0 HD13 LEU A 75 1.928 3.462 7.199 1.00 0.60 H new ATOM 0 HD21 LEU A 75 4.574 4.230 6.040 1.00 0.59 H new ATOM 0 HD22 LEU A 75 4.194 2.716 6.894 1.00 0.59 H new ATOM 0 HD23 LEU A 75 4.926 2.664 5.273 1.00 0.59 H new ATOM 1131 N ASP A 76 4.229 -0.500 5.702 1.00 0.27 N ATOM 1132 CA ASP A 76 5.360 -1.055 6.420 1.00 0.31 C ATOM 1133 C ASP A 76 6.190 -1.960 5.523 1.00 0.29 C ATOM 1134 O ASP A 76 7.406 -1.952 5.590 1.00 0.32 O ATOM 1135 CB ASP A 76 4.883 -1.828 7.651 1.00 0.39 C ATOM 1136 CG ASP A 76 6.007 -2.500 8.407 1.00 0.58 C ATOM 1137 OD1 ASP A 76 6.650 -1.849 9.249 1.00 0.69 O ATOM 1138 OD2 ASP A 76 6.295 -3.681 8.153 1.00 0.89 O ATOM 0 H ASP A 76 3.324 -0.781 6.080 1.00 0.27 H new ATOM 0 HA ASP A 76 5.990 -0.227 6.744 1.00 0.31 H new ATOM 0 HB2 ASP A 76 4.361 -1.145 8.321 1.00 0.39 H new ATOM 0 HB3 ASP A 76 4.161 -2.583 7.340 1.00 0.39 H new ATOM 1143 N LEU A 77 5.514 -2.717 4.683 1.00 0.30 N ATOM 1144 CA LEU A 77 6.150 -3.624 3.743 1.00 0.33 C ATOM 1145 C LEU A 77 7.100 -2.876 2.807 1.00 0.33 C ATOM 1146 O LEU A 77 8.265 -3.253 2.663 1.00 0.39 O ATOM 1147 CB LEU A 77 5.083 -4.364 2.925 1.00 0.40 C ATOM 1148 CG LEU A 77 5.597 -5.368 1.896 1.00 0.56 C ATOM 1149 CD1 LEU A 77 6.379 -6.478 2.578 1.00 0.91 C ATOM 1150 CD2 LEU A 77 4.442 -5.935 1.084 1.00 1.06 C ATOM 0 H LEU A 77 4.495 -2.721 4.631 1.00 0.30 H new ATOM 0 HA LEU A 77 6.735 -4.346 4.313 1.00 0.33 H new ATOM 0 HB2 LEU A 77 4.425 -4.889 3.617 1.00 0.40 H new ATOM 0 HB3 LEU A 77 4.474 -3.623 2.406 1.00 0.40 H new ATOM 0 HG LEU A 77 6.271 -4.851 1.213 1.00 0.56 H new ATOM 0 HD11 LEU A 77 6.737 -7.184 1.829 1.00 0.91 H new ATOM 0 HD12 LEU A 77 7.229 -6.050 3.110 1.00 0.91 H new ATOM 0 HD13 LEU A 77 5.732 -6.997 3.285 1.00 0.91 H new ATOM 0 HD21 LEU A 77 4.826 -6.649 0.355 1.00 1.06 H new ATOM 0 HD22 LEU A 77 3.741 -6.438 1.750 1.00 1.06 H new ATOM 0 HD23 LEU A 77 3.931 -5.125 0.564 1.00 1.06 H new ATOM 1162 N ILE A 78 6.610 -1.810 2.211 1.00 0.32 N ATOM 1163 CA ILE A 78 7.401 -1.024 1.276 1.00 0.39 C ATOM 1164 C ILE A 78 8.576 -0.364 1.992 1.00 0.40 C ATOM 1165 O ILE A 78 9.741 -0.634 1.671 1.00 0.44 O ATOM 1166 CB ILE A 78 6.530 0.057 0.576 1.00 0.46 C ATOM 1167 CG1 ILE A 78 5.390 -0.603 -0.220 1.00 0.47 C ATOM 1168 CG2 ILE A 78 7.383 0.941 -0.346 1.00 0.62 C ATOM 1169 CD1 ILE A 78 5.853 -1.541 -1.324 1.00 0.59 C ATOM 0 H ILE A 78 5.662 -1.463 2.356 1.00 0.32 H new ATOM 0 HA ILE A 78 7.786 -1.701 0.514 1.00 0.39 H new ATOM 0 HB ILE A 78 6.096 0.692 1.348 1.00 0.46 H new ATOM 0 HG12 ILE A 78 4.757 -1.160 0.471 1.00 0.47 H new ATOM 0 HG13 ILE A 78 4.771 0.179 -0.660 1.00 0.47 H new ATOM 0 HG21 ILE A 78 6.749 1.688 -0.823 1.00 0.62 H new ATOM 0 HG22 ILE A 78 8.154 1.441 0.240 1.00 0.62 H new ATOM 0 HG23 ILE A 78 7.852 0.322 -1.111 1.00 0.62 H new ATOM 0 HD11 ILE A 78 4.985 -1.961 -1.832 1.00 0.59 H new ATOM 0 HD12 ILE A 78 6.461 -0.988 -2.040 1.00 0.59 H new ATOM 0 HD13 ILE A 78 6.446 -2.347 -0.892 1.00 0.59 H new ATOM 1181 N ASN A 79 8.274 0.470 2.972 1.00 0.41 N ATOM 1182 CA ASN A 79 9.307 1.233 3.669 1.00 0.50 C ATOM 1183 C ASN A 79 10.274 0.346 4.414 1.00 0.42 C ATOM 1184 O ASN A 79 11.471 0.646 4.486 1.00 0.44 O ATOM 1185 CB ASN A 79 8.722 2.259 4.616 1.00 0.66 C ATOM 1186 CG ASN A 79 7.887 3.301 3.938 1.00 0.81 C ATOM 1187 OD1 ASN A 79 8.038 3.570 2.755 1.00 1.45 O ATOM 1188 ND2 ASN A 79 7.108 3.985 4.708 1.00 0.50 N ATOM 0 H ASN A 79 7.325 0.639 3.306 1.00 0.41 H new ATOM 0 HA ASN A 79 9.857 1.758 2.888 1.00 0.50 H new ATOM 0 HB2 ASN A 79 8.113 1.747 5.361 1.00 0.66 H new ATOM 0 HB3 ASN A 79 9.534 2.750 5.152 1.00 0.66 H new ATOM 0 HD21 ASN A 79 6.592 4.781 4.334 1.00 0.50 H new ATOM 0 HD22 ASN A 79 7.009 3.729 5.690 1.00 0.50 H new ATOM 1195 N GLY A 80 9.770 -0.753 4.943 1.00 0.40 N ATOM 1196 CA GLY A 80 10.599 -1.696 5.645 1.00 0.43 C ATOM 1197 C GLY A 80 11.660 -2.253 4.754 1.00 0.41 C ATOM 1198 O GLY A 80 12.809 -2.355 5.156 1.00 0.48 O ATOM 0 H GLY A 80 8.784 -1.010 4.896 1.00 0.40 H new ATOM 0 HA2 GLY A 80 11.061 -1.209 6.504 1.00 0.43 H new ATOM 0 HA3 GLY A 80 9.983 -2.508 6.032 1.00 0.43 H new ATOM 1202 N ALA A 81 11.281 -2.554 3.517 1.00 0.37 N ATOM 1203 CA ALA A 81 12.197 -3.077 2.531 1.00 0.43 C ATOM 1204 C ALA A 81 13.138 -1.976 2.041 1.00 0.44 C ATOM 1205 O ALA A 81 14.316 -2.228 1.793 1.00 0.56 O ATOM 1206 CB ALA A 81 11.439 -3.706 1.378 1.00 0.48 C ATOM 0 H ALA A 81 10.326 -2.439 3.177 1.00 0.37 H new ATOM 0 HA ALA A 81 12.802 -3.856 2.995 1.00 0.43 H new ATOM 0 HB1 ALA A 81 12.147 -4.094 0.646 1.00 0.48 H new ATOM 0 HB2 ALA A 81 10.820 -4.521 1.752 1.00 0.48 H new ATOM 0 HB3 ALA A 81 10.805 -2.955 0.907 1.00 0.48 H new ATOM 1212 N LEU A 82 12.618 -0.751 1.938 1.00 0.38 N ATOM 1213 CA LEU A 82 13.420 0.427 1.556 1.00 0.44 C ATOM 1214 C LEU A 82 14.574 0.637 2.527 1.00 0.52 C ATOM 1215 O LEU A 82 15.705 0.914 2.128 1.00 0.72 O ATOM 1216 CB LEU A 82 12.557 1.701 1.528 1.00 0.42 C ATOM 1217 CG LEU A 82 11.490 1.795 0.443 1.00 0.46 C ATOM 1218 CD1 LEU A 82 10.688 3.071 0.613 1.00 0.53 C ATOM 1219 CD2 LEU A 82 12.134 1.767 -0.930 1.00 0.62 C ATOM 0 H LEU A 82 11.635 -0.542 2.115 1.00 0.38 H new ATOM 0 HA LEU A 82 13.814 0.237 0.558 1.00 0.44 H new ATOM 0 HB2 LEU A 82 12.064 1.797 2.496 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.222 2.558 1.423 1.00 0.42 H new ATOM 0 HG LEU A 82 10.821 0.940 0.535 1.00 0.46 H new ATOM 0 HD11 LEU A 82 9.928 3.130 -0.166 1.00 0.53 H new ATOM 0 HD12 LEU A 82 10.206 3.070 1.591 1.00 0.53 H new ATOM 0 HD13 LEU A 82 11.353 3.931 0.537 1.00 0.53 H new ATOM 0 HD21 LEU A 82 11.361 1.835 -1.696 1.00 0.62 H new ATOM 0 HD22 LEU A 82 12.818 2.610 -1.029 1.00 0.62 H new ATOM 0 HD23 LEU A 82 12.687 0.836 -1.054 1.00 0.62 H new ATOM 1231 N ALA A 83 14.280 0.493 3.802 1.00 0.50 N ATOM 1232 CA ALA A 83 15.274 0.662 4.844 1.00 0.66 C ATOM 1233 C ALA A 83 16.009 -0.648 5.125 1.00 0.79 C ATOM 1234 O ALA A 83 16.938 -0.690 5.936 1.00 0.93 O ATOM 1235 CB ALA A 83 14.616 1.188 6.111 1.00 0.80 C ATOM 0 H ALA A 83 13.349 0.256 4.146 1.00 0.50 H new ATOM 0 HA ALA A 83 16.010 1.388 4.500 1.00 0.66 H new ATOM 0 HB1 ALA A 83 15.370 1.312 6.888 1.00 0.80 H new ATOM 0 HB2 ALA A 83 14.146 2.150 5.905 1.00 0.80 H new ATOM 0 HB3 ALA A 83 13.860 0.480 6.449 1.00 0.80 H new ATOM 1241 N GLU A 84 15.603 -1.703 4.450 1.00 0.89 N ATOM 1242 CA GLU A 84 16.200 -3.009 4.643 1.00 1.15 C ATOM 1243 C GLU A 84 17.294 -3.205 3.616 1.00 1.27 C ATOM 1244 O GLU A 84 18.446 -3.448 3.959 1.00 1.57 O ATOM 1245 CB GLU A 84 15.144 -4.107 4.471 1.00 1.28 C ATOM 1246 CG GLU A 84 15.548 -5.465 4.997 1.00 1.66 C ATOM 1247 CD GLU A 84 15.764 -5.434 6.484 1.00 2.21 C ATOM 1248 OE1 GLU A 84 14.773 -5.351 7.239 1.00 2.70 O ATOM 1249 OE2 GLU A 84 16.922 -5.452 6.927 1.00 2.70 O ATOM 0 H GLU A 84 14.855 -1.681 3.757 1.00 0.89 H new ATOM 0 HA GLU A 84 16.612 -3.070 5.650 1.00 1.15 H new ATOM 0 HB2 GLU A 84 14.230 -3.795 4.976 1.00 1.28 H new ATOM 0 HB3 GLU A 84 14.906 -4.200 3.411 1.00 1.28 H new ATOM 0 HG2 GLU A 84 14.776 -6.195 4.755 1.00 1.66 H new ATOM 0 HG3 GLU A 84 16.462 -5.792 4.502 1.00 1.66 H new ATOM 1256 N ALA A 85 16.917 -3.074 2.357 1.00 1.28 N ATOM 1257 CA ALA A 85 17.828 -3.268 1.248 1.00 1.63 C ATOM 1258 C ALA A 85 18.891 -2.183 1.221 1.00 2.15 C ATOM 1259 O ALA A 85 20.089 -2.475 1.123 1.00 2.73 O ATOM 1260 CB ALA A 85 17.057 -3.299 -0.062 1.00 2.17 C ATOM 0 H ALA A 85 15.967 -2.829 2.076 1.00 1.28 H new ATOM 0 HA ALA A 85 18.333 -4.225 1.379 1.00 1.63 H new ATOM 0 HB1 ALA A 85 17.751 -3.445 -0.889 1.00 2.17 H new ATOM 0 HB2 ALA A 85 16.338 -4.118 -0.042 1.00 2.17 H new ATOM 0 HB3 ALA A 85 16.528 -2.355 -0.195 1.00 2.17 H new ATOM 1266 N ALA A 86 18.453 -0.947 1.341 1.00 2.73 N ATOM 1267 CA ALA A 86 19.344 0.176 1.317 1.00 3.78 C ATOM 1268 C ALA A 86 19.728 0.553 2.734 1.00 4.48 C ATOM 1269 O ALA A 86 20.770 0.070 3.226 1.00 5.02 O ATOM 1270 CB ALA A 86 18.708 1.349 0.588 1.00 4.48 C ATOM 1271 OXT ALA A 86 18.982 1.301 3.390 1.00 4.86 O ATOM 0 H ALA A 86 17.470 -0.701 1.457 1.00 2.73 H new ATOM 0 HA ALA A 86 20.249 -0.097 0.774 1.00 3.78 H new ATOM 0 HB1 ALA A 86 19.400 2.191 0.581 1.00 4.48 H new ATOM 0 HB2 ALA A 86 18.479 1.059 -0.437 1.00 4.48 H new ATOM 0 HB3 ALA A 86 17.789 1.639 1.097 1.00 4.48 H new TER 1277 ALA A 86 HETATM 1278 O23 PNS A 87 -5.656 -12.503 -0.985 1.00 2.17 O HETATM 1279 P24 PNS A 87 -6.166 -12.209 -2.404 1.00 1.23 P HETATM 1280 O26 PNS A 87 -5.563 -13.039 -3.566 1.00 1.76 O HETATM 1281 O27 PNS A 87 -7.689 -12.455 -2.385 1.00 1.70 O HETATM 1282 C28 PNS A 87 -8.511 -12.082 -3.552 1.00 1.96 C HETATM 1283 C29 PNS A 87 -9.945 -12.620 -3.378 1.00 2.85 C HETATM 1284 C30 PNS A 87 -10.730 -12.155 -4.590 1.00 3.58 C HETATM 1285 C31 PNS A 87 -9.911 -14.156 -3.344 1.00 3.58 C HETATM 1286 C32 PNS A 87 -10.603 -12.058 -2.022 1.00 3.30 C HETATM 1287 O33 PNS A 87 -9.697 -12.243 -0.929 1.00 4.16 O HETATM 1288 C34 PNS A 87 -11.913 -12.794 -1.680 1.00 3.69 C HETATM 1289 O35 PNS A 87 -11.930 -13.623 -0.748 1.00 4.13 O HETATM 1290 N36 PNS A 87 -12.976 -12.524 -2.403 1.00 4.09 N HETATM 1291 C37 PNS A 87 -14.286 -13.154 -2.194 1.00 4.91 C HETATM 1292 C38 PNS A 87 -15.295 -12.800 -3.283 1.00 5.50 C HETATM 1293 C39 PNS A 87 -16.035 -11.473 -3.076 1.00 6.09 C HETATM 1294 O40 PNS A 87 -15.802 -10.720 -2.117 1.00 6.57 O HETATM 1295 N41 PNS A 87 -16.936 -11.216 -3.994 1.00 6.43 N HETATM 1296 C42 PNS A 87 -17.784 -10.035 -4.033 1.00 7.34 C HETATM 1297 C43 PNS A 87 -18.827 -10.180 -5.107 1.00 7.87 C HETATM 1298 S44 PNS A 87 -19.723 -11.742 -5.008 1.00 8.26 S HETATM 0 H432 PNS A 87 -19.536 -9.355 -5.032 1.00 7.87 H new HETATM 0 H431 PNS A 87 -18.349 -10.102 -6.084 1.00 7.87 H new HETATM 0 H422 PNS A 87 -17.178 -9.149 -4.222 1.00 7.34 H new HETATM 0 H421 PNS A 87 -18.265 -9.892 -3.066 1.00 7.34 H new HETATM 0 H382 PNS A 87 -16.030 -13.602 -3.350 1.00 5.50 H new HETATM 0 H381 PNS A 87 -14.775 -12.763 -4.240 1.00 5.50 H new HETATM 0 H372 PNS A 87 -14.681 -12.847 -1.226 1.00 4.91 H new HETATM 0 H371 PNS A 87 -14.162 -14.236 -2.159 1.00 4.91 H new HETATM 0 H313 PNS A 87 -10.924 -14.540 -3.221 1.00 3.58 H new HETATM 0 H312 PNS A 87 -9.293 -14.488 -2.509 1.00 3.58 H new HETATM 0 H311 PNS A 87 -9.492 -14.531 -4.277 1.00 3.58 H new HETATM 0 H303 PNS A 87 -11.758 -12.511 -4.516 1.00 3.58 H new HETATM 0 H302 PNS A 87 -10.272 -12.554 -5.495 1.00 3.58 H new HETATM 0 H301 PNS A 87 -10.725 -11.066 -4.631 1.00 3.58 H new HETATM 0 H282 PNS A 87 -8.070 -12.487 -4.463 1.00 1.96 H new HETATM 0 H281 PNS A 87 -8.531 -10.998 -3.662 1.00 1.96 H new HETATM 0 H44 PNS A 87 -20.606 -11.797 -5.961 1.00 8.26 H new HETATM 0 H41 PNS A 87 -17.051 -11.900 -4.742 1.00 6.43 H new HETATM 0 H36 PNS A 87 -12.886 -11.838 -3.152 1.00 4.09 H new HETATM 0 H33 PNS A 87 -8.908 -12.736 -1.238 1.00 4.16 H new HETATM 0 H32 PNS A 87 -10.815 -11.000 -2.179 1.00 3.30 H new