USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 Single : A 1 MET CE :methyl 145:sc= -2.34 (180deg=-3.46!) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0107 (180deg=-0.17) USER MOD Single : A 3 THR OG1 : rot 53:sc= 0.0242 USER MOD Single : A 6 THR OG1 : rot -66:sc= 1.28 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 17 SER OG : rot 80:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 24 THR OG1 : rot 150:sc= 0.107 USER MOD Single : A 27 SER OG : rot -42:sc= 0.0166 USER MOD Single : A 40 TYR OH : rot 85:sc= 1.15 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.26 (180deg=-1.03) USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 15:sc= 1.31 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 79 ASN : amide:sc= 1.69 K(o=1.7,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.799 -4.319 0.242 1.00 4.11 N ATOM 2 CA MET A 1 19.040 -3.480 1.156 1.00 3.57 C ATOM 3 C MET A 1 18.362 -4.355 2.176 1.00 2.82 C ATOM 4 O MET A 1 17.435 -5.094 1.849 1.00 3.20 O ATOM 5 CB MET A 1 18.014 -2.617 0.412 1.00 4.13 C ATOM 6 CG MET A 1 18.634 -1.668 -0.602 1.00 4.73 C ATOM 7 SD MET A 1 17.429 -0.630 -1.452 1.00 5.41 S ATOM 8 CE MET A 1 16.799 0.352 -0.092 1.00 6.05 C ATOM 0 H1 MET A 1 20.415 -3.723 -0.346 1.00 4.11 H new ATOM 0 H2 MET A 1 20.381 -4.987 0.786 1.00 4.11 H new ATOM 0 H3 MET A 1 19.144 -4.848 -0.369 1.00 4.11 H new ATOM 0 HA MET A 1 19.726 -2.797 1.656 1.00 3.57 H new ATOM 0 HB2 MET A 1 17.306 -3.269 -0.100 1.00 4.13 H new ATOM 0 HB3 MET A 1 17.445 -2.037 1.139 1.00 4.13 H new ATOM 0 HG2 MET A 1 19.357 -1.029 -0.094 1.00 4.73 H new ATOM 0 HG3 MET A 1 19.186 -2.249 -1.341 1.00 4.73 H new ATOM 0 HE1 MET A 1 16.574 1.359 -0.444 1.00 6.05 H new ATOM 0 HE2 MET A 1 15.891 -0.108 0.299 1.00 6.05 H new ATOM 0 HE3 MET A 1 17.549 0.403 0.698 1.00 6.05 H new ATOM 20 N ALA A 2 18.840 -4.301 3.410 1.00 2.27 N ATOM 21 CA ALA A 2 18.294 -5.133 4.483 1.00 2.03 C ATOM 22 C ALA A 2 16.884 -4.694 4.844 1.00 1.61 C ATOM 23 O ALA A 2 15.998 -5.518 5.066 1.00 2.08 O ATOM 24 CB ALA A 2 19.197 -5.102 5.709 1.00 2.71 C ATOM 0 H ALA A 2 19.605 -3.691 3.698 1.00 2.27 H new ATOM 0 HA ALA A 2 18.249 -6.160 4.121 1.00 2.03 H new ATOM 0 HB1 ALA A 2 18.769 -5.728 6.492 1.00 2.71 H new ATOM 0 HB2 ALA A 2 20.185 -5.478 5.443 1.00 2.71 H new ATOM 0 HB3 ALA A 2 19.284 -4.078 6.071 1.00 2.71 H new ATOM 30 N THR A 3 16.675 -3.407 4.891 1.00 1.31 N ATOM 31 CA THR A 3 15.375 -2.869 5.175 1.00 1.19 C ATOM 32 C THR A 3 14.621 -2.558 3.876 1.00 0.95 C ATOM 33 O THR A 3 14.641 -1.431 3.378 1.00 1.12 O ATOM 34 CB THR A 3 15.469 -1.619 6.095 1.00 1.56 C ATOM 35 OG1 THR A 3 16.499 -0.722 5.621 1.00 2.44 O ATOM 36 CG2 THR A 3 15.774 -2.031 7.529 1.00 2.02 C ATOM 0 H THR A 3 17.398 -2.705 4.734 1.00 1.31 H new ATOM 0 HA THR A 3 14.807 -3.625 5.717 1.00 1.19 H new ATOM 0 HB THR A 3 14.507 -1.107 6.070 1.00 1.56 H new ATOM 0 HG1 THR A 3 16.345 -0.518 4.675 1.00 2.44 H new ATOM 0 HG21 THR A 3 15.836 -1.143 8.157 1.00 2.02 H new ATOM 0 HG22 THR A 3 14.981 -2.681 7.897 1.00 2.02 H new ATOM 0 HG23 THR A 3 16.724 -2.564 7.560 1.00 2.02 H new ATOM 44 N LEU A 4 14.091 -3.593 3.270 1.00 0.80 N ATOM 45 CA LEU A 4 13.293 -3.472 2.081 1.00 0.65 C ATOM 46 C LEU A 4 11.879 -3.877 2.477 1.00 0.68 C ATOM 47 O LEU A 4 11.712 -4.743 3.347 1.00 0.86 O ATOM 48 CB LEU A 4 13.829 -4.423 0.997 1.00 0.70 C ATOM 49 CG LEU A 4 13.335 -4.201 -0.422 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.904 -2.900 -0.975 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.711 -5.376 -1.311 1.00 1.01 C ATOM 0 H LEU A 4 14.205 -4.553 3.595 1.00 0.80 H new ATOM 0 HA LEU A 4 13.319 -2.459 1.680 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.917 -4.352 0.992 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.578 -5.443 1.287 1.00 0.70 H new ATOM 0 HG LEU A 4 12.248 -4.126 -0.407 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.544 -2.749 -1.993 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.582 -2.067 -0.349 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.993 -2.952 -0.979 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.348 -5.197 -2.323 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.795 -5.487 -1.329 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.260 -6.288 -0.919 1.00 1.01 H new ATOM 63 N LEU A 5 10.877 -3.271 1.891 1.00 0.60 N ATOM 64 CA LEU A 5 9.506 -3.582 2.256 1.00 0.64 C ATOM 65 C LEU A 5 9.081 -4.806 1.446 1.00 0.59 C ATOM 66 O LEU A 5 9.222 -4.817 0.214 1.00 0.61 O ATOM 67 CB LEU A 5 8.611 -2.344 1.971 1.00 0.69 C ATOM 68 CG LEU A 5 7.234 -2.256 2.678 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.666 -0.872 2.531 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.242 -3.229 2.107 1.00 1.54 C ATOM 0 H LEU A 5 10.977 -2.563 1.163 1.00 0.60 H new ATOM 0 HA LEU A 5 9.407 -3.813 3.317 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.180 -1.454 2.238 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.437 -2.300 0.896 1.00 0.69 H new ATOM 0 HG LEU A 5 7.403 -2.499 3.727 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.699 -0.821 3.031 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.346 -0.150 2.982 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.540 -0.641 1.473 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.292 -3.131 2.633 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.094 -3.018 1.048 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.619 -4.245 2.225 1.00 1.54 H new ATOM 82 N THR A 6 8.634 -5.845 2.114 1.00 0.61 N ATOM 83 CA THR A 6 8.237 -7.048 1.422 1.00 0.63 C ATOM 84 C THR A 6 6.719 -7.133 1.275 1.00 0.57 C ATOM 85 O THR A 6 5.981 -6.254 1.741 1.00 0.59 O ATOM 86 CB THR A 6 8.757 -8.331 2.134 1.00 0.79 C ATOM 87 OG1 THR A 6 8.205 -8.418 3.463 1.00 0.95 O ATOM 88 CG2 THR A 6 10.280 -8.334 2.217 1.00 0.97 C ATOM 0 H THR A 6 8.537 -5.881 3.129 1.00 0.61 H new ATOM 0 HA THR A 6 8.690 -6.993 0.432 1.00 0.63 H new ATOM 0 HB THR A 6 8.439 -9.193 1.547 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.549 -7.681 4.009 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.615 -9.242 2.719 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.699 -8.299 1.211 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.615 -7.463 2.780 1.00 0.97 H new ATOM 96 N THR A 7 6.256 -8.213 0.697 1.00 0.60 N ATOM 97 CA THR A 7 4.860 -8.476 0.541 1.00 0.59 C ATOM 98 C THR A 7 4.227 -8.701 1.904 1.00 0.53 C ATOM 99 O THR A 7 3.149 -8.205 2.183 1.00 0.56 O ATOM 100 CB THR A 7 4.721 -9.714 -0.328 1.00 0.69 C ATOM 101 OG1 THR A 7 5.932 -10.494 -0.182 1.00 0.90 O ATOM 102 CG2 THR A 7 4.506 -9.335 -1.788 1.00 0.81 C ATOM 0 H THR A 7 6.857 -8.944 0.316 1.00 0.60 H new ATOM 0 HA THR A 7 4.353 -7.633 0.071 1.00 0.59 H new ATOM 0 HB THR A 7 3.853 -10.293 -0.013 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.869 -11.302 -0.732 1.00 0.90 H new ATOM 0 HG21 THR A 7 4.410 -10.240 -2.388 1.00 0.81 H new ATOM 0 HG22 THR A 7 3.597 -8.740 -1.879 1.00 0.81 H new ATOM 0 HG23 THR A 7 5.357 -8.754 -2.142 1.00 0.81 H new ATOM 110 N ASP A 8 4.941 -9.409 2.762 1.00 0.54 N ATOM 111 CA ASP A 8 4.467 -9.716 4.107 1.00 0.54 C ATOM 112 C ASP A 8 4.285 -8.440 4.925 1.00 0.52 C ATOM 113 O ASP A 8 3.303 -8.306 5.654 1.00 0.54 O ATOM 114 CB ASP A 8 5.422 -10.679 4.808 1.00 0.63 C ATOM 115 CG ASP A 8 4.980 -11.048 6.207 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.066 -11.868 6.352 1.00 1.98 O ATOM 117 OD2 ASP A 8 5.510 -10.482 7.185 1.00 2.26 O ATOM 0 H ASP A 8 5.864 -9.788 2.550 1.00 0.54 H new ATOM 0 HA ASP A 8 3.495 -10.202 4.022 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.513 -11.587 4.212 1.00 0.63 H new ATOM 0 HB3 ASP A 8 6.413 -10.227 4.855 1.00 0.63 H new ATOM 122 N ASP A 9 5.206 -7.484 4.753 1.00 0.57 N ATOM 123 CA ASP A 9 5.120 -6.184 5.454 1.00 0.64 C ATOM 124 C ASP A 9 3.860 -5.462 5.048 1.00 0.59 C ATOM 125 O ASP A 9 3.110 -4.964 5.897 1.00 0.63 O ATOM 126 CB ASP A 9 6.310 -5.252 5.142 1.00 0.79 C ATOM 127 CG ASP A 9 7.639 -5.753 5.618 1.00 1.60 C ATOM 128 OD1 ASP A 9 7.928 -5.660 6.815 1.00 1.70 O ATOM 129 OD2 ASP A 9 8.438 -6.219 4.792 1.00 2.47 O ATOM 0 H ASP A 9 6.016 -7.579 4.140 1.00 0.57 H new ATOM 0 HA ASP A 9 5.127 -6.414 6.519 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.360 -5.098 4.064 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.120 -4.279 5.595 1.00 0.79 H new ATOM 134 N LEU A 10 3.617 -5.416 3.746 1.00 0.54 N ATOM 135 CA LEU A 10 2.441 -4.755 3.223 1.00 0.54 C ATOM 136 C LEU A 10 1.179 -5.508 3.621 1.00 0.53 C ATOM 137 O LEU A 10 0.176 -4.898 3.943 1.00 0.59 O ATOM 138 CB LEU A 10 2.520 -4.586 1.705 1.00 0.55 C ATOM 139 CG LEU A 10 1.332 -3.867 1.048 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.193 -2.440 1.567 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.483 -3.874 -0.454 1.00 0.65 C ATOM 0 H LEU A 10 4.221 -5.830 3.036 1.00 0.54 H new ATOM 0 HA LEU A 10 2.399 -3.758 3.661 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.430 -4.035 1.467 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.617 -5.573 1.253 1.00 0.55 H new ATOM 0 HG LEU A 10 0.422 -4.406 1.312 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.344 -1.958 1.083 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.034 -2.459 2.645 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.102 -1.882 1.344 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.635 -3.361 -0.907 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.405 -3.363 -0.729 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.518 -4.903 -0.811 1.00 0.65 H new ATOM 153 N ARG A 11 1.257 -6.835 3.632 1.00 0.49 N ATOM 154 CA ARG A 11 0.138 -7.686 4.030 1.00 0.50 C ATOM 155 C ARG A 11 -0.289 -7.362 5.461 1.00 0.54 C ATOM 156 O ARG A 11 -1.450 -7.457 5.809 1.00 0.63 O ATOM 157 CB ARG A 11 0.514 -9.179 3.910 1.00 0.51 C ATOM 158 CG ARG A 11 -0.632 -10.133 4.229 1.00 0.61 C ATOM 159 CD ARG A 11 -0.221 -11.592 4.115 1.00 0.72 C ATOM 160 NE ARG A 11 0.833 -11.961 5.067 1.00 0.96 N ATOM 161 CZ ARG A 11 0.886 -13.118 5.742 1.00 1.24 C ATOM 162 NH1 ARG A 11 -0.092 -14.023 5.628 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.923 -13.376 6.511 1.00 1.80 N ATOM 0 H ARG A 11 2.096 -7.351 3.366 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.698 -7.489 3.359 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.865 -9.375 2.897 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.346 -9.389 4.582 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.993 -9.938 5.239 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.463 -9.938 3.551 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.093 -12.225 4.282 1.00 0.72 H new ATOM 0 HD3 ARG A 11 0.126 -11.789 3.101 1.00 0.72 H new ATOM 0 HE ARG A 11 1.581 -11.287 5.227 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -0.891 -13.837 5.022 1.00 1.65 H new ATOM 0 HH12 ARG A 11 -0.039 -14.899 6.147 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.680 -12.697 6.591 1.00 1.80 H new ATOM 0 HH22 ARG A 11 1.969 -14.255 7.027 1.00 1.80 H new ATOM 177 N ARG A 12 0.662 -6.977 6.273 1.00 0.54 N ATOM 178 CA ARG A 12 0.382 -6.592 7.639 1.00 0.60 C ATOM 179 C ARG A 12 -0.305 -5.236 7.679 1.00 0.58 C ATOM 180 O ARG A 12 -1.430 -5.112 8.187 1.00 0.66 O ATOM 181 CB ARG A 12 1.668 -6.554 8.460 1.00 0.68 C ATOM 182 CG ARG A 12 2.350 -7.897 8.602 1.00 0.80 C ATOM 183 CD ARG A 12 3.651 -7.790 9.366 1.00 0.96 C ATOM 184 NE ARG A 12 3.480 -7.343 10.763 1.00 1.50 N ATOM 185 CZ ARG A 12 4.424 -7.438 11.713 1.00 2.02 C ATOM 186 NH1 ARG A 12 5.639 -7.877 11.402 1.00 2.23 N ATOM 187 NH2 ARG A 12 4.156 -7.075 12.967 1.00 2.93 N ATOM 0 H ARG A 12 1.646 -6.921 6.012 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.286 -7.336 8.073 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.362 -5.853 7.996 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.441 -6.167 9.453 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.684 -8.590 9.115 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.543 -8.313 7.613 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.146 -8.761 9.362 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.311 -7.094 8.848 1.00 0.96 H new ATOM 0 HE ARG A 12 2.583 -6.934 11.024 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.855 -8.142 10.441 1.00 2.23 H new ATOM 0 HH12 ARG A 12 6.356 -7.949 12.124 1.00 2.23 H new ATOM 0 HH21 ARG A 12 3.230 -6.723 13.209 1.00 2.93 H new ATOM 0 HH22 ARG A 12 4.877 -7.149 13.685 1.00 2.93 H new ATOM 201 N ALA A 13 0.340 -4.245 7.084 1.00 0.54 N ATOM 202 CA ALA A 13 -0.145 -2.866 7.106 1.00 0.58 C ATOM 203 C ALA A 13 -1.495 -2.700 6.418 1.00 0.56 C ATOM 204 O ALA A 13 -2.373 -2.007 6.934 1.00 0.65 O ATOM 205 CB ALA A 13 0.882 -1.932 6.501 1.00 0.66 C ATOM 0 H ALA A 13 1.213 -4.369 6.572 1.00 0.54 H new ATOM 0 HA ALA A 13 -0.295 -2.603 8.153 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.504 -0.910 6.526 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.808 -1.990 7.073 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.074 -2.223 5.468 1.00 0.66 H new ATOM 211 N LEU A 14 -1.669 -3.359 5.280 1.00 0.53 N ATOM 212 CA LEU A 14 -2.907 -3.280 4.515 1.00 0.59 C ATOM 213 C LEU A 14 -4.093 -3.878 5.302 1.00 0.75 C ATOM 214 O LEU A 14 -5.237 -3.658 4.970 1.00 1.02 O ATOM 215 CB LEU A 14 -2.728 -3.941 3.137 1.00 0.54 C ATOM 216 CG LEU A 14 -3.860 -3.755 2.123 1.00 0.62 C ATOM 217 CD1 LEU A 14 -4.100 -2.279 1.855 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.531 -4.469 0.826 1.00 1.06 C ATOM 0 H LEU A 14 -0.959 -3.961 4.862 1.00 0.53 H new ATOM 0 HA LEU A 14 -3.145 -2.230 4.347 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.810 -3.556 2.694 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.584 -5.010 3.291 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.768 -4.187 2.543 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.908 -2.167 1.132 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -4.373 -1.780 2.785 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -3.191 -1.829 1.456 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.346 -4.327 0.116 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.611 -4.060 0.409 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.400 -5.534 1.020 1.00 1.06 H new ATOM 230 N VAL A 15 -3.802 -4.683 6.305 1.00 0.71 N ATOM 231 CA VAL A 15 -4.837 -5.173 7.202 1.00 0.83 C ATOM 232 C VAL A 15 -5.070 -4.139 8.320 1.00 0.85 C ATOM 233 O VAL A 15 -6.208 -3.752 8.597 1.00 0.98 O ATOM 234 CB VAL A 15 -4.460 -6.552 7.814 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.489 -6.996 8.851 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.373 -7.600 6.720 1.00 0.91 C ATOM 0 H VAL A 15 -2.861 -5.012 6.521 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.753 -5.311 6.628 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.492 -6.445 8.304 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.198 -7.963 9.261 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.537 -6.261 9.654 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.468 -7.081 8.379 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -4.108 -8.562 7.158 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -5.337 -7.683 6.218 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.611 -7.309 5.997 1.00 0.91 H new ATOM 246 N GLU A 16 -3.976 -3.694 8.946 1.00 0.81 N ATOM 247 CA GLU A 16 -4.014 -2.740 10.067 1.00 0.87 C ATOM 248 C GLU A 16 -4.767 -1.449 9.727 1.00 0.89 C ATOM 249 O GLU A 16 -5.524 -0.928 10.554 1.00 1.05 O ATOM 250 CB GLU A 16 -2.592 -2.395 10.526 1.00 0.91 C ATOM 251 CG GLU A 16 -1.806 -3.602 10.958 1.00 1.00 C ATOM 252 CD GLU A 16 -0.423 -3.281 11.468 1.00 1.30 C ATOM 253 OE1 GLU A 16 -0.270 -2.985 12.665 1.00 1.91 O ATOM 254 OE2 GLU A 16 0.551 -3.384 10.687 1.00 1.90 O ATOM 0 H GLU A 16 -3.032 -3.985 8.690 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.558 -3.234 10.872 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.064 -1.896 9.713 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.645 -1.687 11.353 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -2.359 -4.123 11.740 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.722 -4.289 10.116 1.00 1.00 H new ATOM 261 N SER A 17 -4.589 -0.956 8.525 1.00 0.82 N ATOM 262 CA SER A 17 -5.205 0.291 8.111 1.00 0.93 C ATOM 263 C SER A 17 -6.675 0.141 7.639 1.00 1.03 C ATOM 264 O SER A 17 -7.278 1.097 7.120 1.00 1.22 O ATOM 265 CB SER A 17 -4.323 0.981 7.083 1.00 0.96 C ATOM 266 OG SER A 17 -3.029 1.212 7.645 1.00 1.58 O ATOM 0 H SER A 17 -4.018 -1.401 7.807 1.00 0.82 H new ATOM 0 HA SER A 17 -5.277 0.928 8.993 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.238 0.364 6.188 1.00 0.96 H new ATOM 0 HB3 SER A 17 -4.773 1.926 6.777 1.00 0.96 H new ATOM 0 HG SER A 17 -2.502 0.387 7.602 1.00 1.58 H new ATOM 272 N ALA A 18 -7.259 -1.024 7.854 1.00 1.04 N ATOM 273 CA ALA A 18 -8.660 -1.216 7.561 1.00 1.24 C ATOM 274 C ALA A 18 -9.471 -0.749 8.760 1.00 1.43 C ATOM 275 O ALA A 18 -9.456 -1.385 9.821 1.00 1.88 O ATOM 276 CB ALA A 18 -8.960 -2.685 7.245 1.00 1.25 C ATOM 0 H ALA A 18 -6.784 -1.845 8.229 1.00 1.04 H new ATOM 0 HA ALA A 18 -8.931 -0.634 6.680 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -10.022 -2.801 7.028 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -8.377 -2.997 6.379 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -8.695 -3.303 8.103 1.00 1.25 H new ATOM 282 N GLY A 19 -10.129 0.376 8.611 1.00 1.86 N ATOM 283 CA GLY A 19 -10.907 0.936 9.680 1.00 2.13 C ATOM 284 C GLY A 19 -12.354 0.547 9.570 1.00 2.09 C ATOM 285 O GLY A 19 -12.843 -0.272 10.353 1.00 2.45 O ATOM 0 H GLY A 19 -10.138 0.923 7.750 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -10.510 0.597 10.637 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -10.819 2.022 9.665 1.00 2.13 H new ATOM 289 N GLU A 20 -13.039 1.088 8.582 1.00 2.13 N ATOM 290 CA GLU A 20 -14.431 0.793 8.405 1.00 2.46 C ATOM 291 C GLU A 20 -14.697 0.217 7.033 1.00 2.48 C ATOM 292 O GLU A 20 -14.883 0.922 6.037 1.00 3.18 O ATOM 293 CB GLU A 20 -15.360 1.970 8.756 1.00 3.09 C ATOM 294 CG GLU A 20 -15.051 3.289 8.069 1.00 3.54 C ATOM 295 CD GLU A 20 -16.108 4.320 8.349 1.00 4.23 C ATOM 296 OE1 GLU A 20 -16.027 5.018 9.381 1.00 4.67 O ATOM 297 OE2 GLU A 20 -17.056 4.425 7.570 1.00 4.69 O ATOM 0 H GLU A 20 -12.647 1.732 7.895 1.00 2.13 H new ATOM 0 HA GLU A 20 -14.682 0.022 9.133 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -16.383 1.686 8.510 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -15.323 2.127 9.834 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -14.083 3.658 8.408 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -14.973 3.130 6.993 1.00 3.54 H new ATOM 304 N THR A 21 -14.651 -1.065 7.001 1.00 2.07 N ATOM 305 CA THR A 21 -14.853 -1.852 5.847 1.00 2.31 C ATOM 306 C THR A 21 -14.816 -3.277 6.356 1.00 2.42 C ATOM 307 O THR A 21 -14.849 -3.472 7.586 1.00 2.89 O ATOM 308 CB THR A 21 -13.741 -1.570 4.748 1.00 2.31 C ATOM 309 OG1 THR A 21 -14.024 -2.250 3.510 1.00 2.58 O ATOM 310 CG2 THR A 21 -12.343 -1.972 5.234 1.00 2.00 C ATOM 0 H THR A 21 -14.459 -1.624 7.833 1.00 2.07 H new ATOM 0 HA THR A 21 -15.794 -1.628 5.345 1.00 2.31 H new ATOM 0 HB THR A 21 -13.759 -0.494 4.572 1.00 2.31 H new ATOM 0 HG1 THR A 21 -13.319 -2.051 2.859 1.00 2.58 H new ATOM 0 HG21 THR A 21 -11.612 -1.763 4.453 1.00 2.00 H new ATOM 0 HG22 THR A 21 -12.091 -1.402 6.129 1.00 2.00 H new ATOM 0 HG23 THR A 21 -12.331 -3.037 5.466 1.00 2.00 H new ATOM 318 N ASP A 22 -14.750 -4.241 5.510 1.00 2.59 N ATOM 319 CA ASP A 22 -14.611 -5.588 5.981 1.00 2.92 C ATOM 320 C ASP A 22 -13.296 -6.081 5.560 1.00 2.46 C ATOM 321 O ASP A 22 -13.008 -6.144 4.358 1.00 3.05 O ATOM 322 CB ASP A 22 -15.719 -6.514 5.509 1.00 3.98 C ATOM 323 CG ASP A 22 -15.588 -7.914 6.106 1.00 4.45 C ATOM 324 OD1 ASP A 22 -15.636 -8.061 7.341 1.00 4.62 O ATOM 325 OD2 ASP A 22 -15.454 -8.888 5.341 1.00 4.98 O ATOM 0 H ASP A 22 -14.789 -4.134 4.496 1.00 2.59 H new ATOM 0 HA ASP A 22 -14.694 -5.581 7.068 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -16.686 -6.092 5.783 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -15.697 -6.580 4.421 1.00 3.98 H new ATOM 330 N GLY A 23 -12.477 -6.349 6.530 1.00 1.97 N ATOM 331 CA GLY A 23 -11.155 -6.808 6.281 1.00 2.01 C ATOM 332 C GLY A 23 -11.137 -8.068 5.459 1.00 1.57 C ATOM 333 O GLY A 23 -11.736 -9.074 5.833 1.00 1.97 O ATOM 0 H GLY A 23 -12.712 -6.254 7.518 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -10.594 -6.030 5.763 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -10.650 -6.988 7.230 1.00 2.01 H new ATOM 337 N THR A 24 -10.491 -7.997 4.337 1.00 1.42 N ATOM 338 CA THR A 24 -10.422 -9.082 3.416 1.00 1.24 C ATOM 339 C THR A 24 -9.348 -10.097 3.812 1.00 1.16 C ATOM 340 O THR A 24 -8.785 -10.028 4.914 1.00 1.49 O ATOM 341 CB THR A 24 -10.160 -8.528 2.011 1.00 1.62 C ATOM 342 OG1 THR A 24 -9.187 -7.469 2.119 1.00 2.43 O ATOM 343 CG2 THR A 24 -11.436 -7.985 1.386 1.00 1.98 C ATOM 0 H THR A 24 -9.987 -7.164 4.032 1.00 1.42 H new ATOM 0 HA THR A 24 -11.374 -9.613 3.429 1.00 1.24 H new ATOM 0 HB THR A 24 -9.791 -9.331 1.372 1.00 1.62 H new ATOM 0 HG1 THR A 24 -8.658 -7.425 1.295 1.00 2.43 H new ATOM 0 HG21 THR A 24 -11.218 -7.599 0.390 1.00 1.98 H new ATOM 0 HG22 THR A 24 -12.174 -8.784 1.312 1.00 1.98 H new ATOM 0 HG23 THR A 24 -11.832 -7.182 2.007 1.00 1.98 H new ATOM 351 N ASP A 25 -9.063 -11.026 2.937 1.00 1.06 N ATOM 352 CA ASP A 25 -8.029 -11.995 3.182 1.00 1.14 C ATOM 353 C ASP A 25 -6.892 -11.706 2.268 1.00 0.91 C ATOM 354 O ASP A 25 -7.079 -11.577 1.062 1.00 1.11 O ATOM 355 CB ASP A 25 -8.509 -13.427 2.952 1.00 1.52 C ATOM 356 CG ASP A 25 -7.439 -14.440 3.301 1.00 1.99 C ATOM 357 OD1 ASP A 25 -6.601 -14.750 2.422 1.00 2.41 O ATOM 358 OD2 ASP A 25 -7.434 -14.962 4.441 1.00 2.49 O ATOM 0 H ASP A 25 -9.538 -11.131 2.041 1.00 1.06 H new ATOM 0 HA ASP A 25 -7.729 -11.918 4.227 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.398 -13.614 3.555 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.800 -13.550 1.909 1.00 1.52 H new ATOM 363 N LEU A 26 -5.733 -11.581 2.822 1.00 0.84 N ATOM 364 CA LEU A 26 -4.544 -11.280 2.062 1.00 0.77 C ATOM 365 C LEU A 26 -3.558 -12.430 2.147 1.00 0.86 C ATOM 366 O LEU A 26 -2.393 -12.268 1.820 1.00 1.05 O ATOM 367 CB LEU A 26 -3.857 -9.999 2.591 1.00 0.94 C ATOM 368 CG LEU A 26 -4.484 -8.623 2.280 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.851 -8.434 2.916 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.544 -7.529 2.731 1.00 1.11 C ATOM 0 H LEU A 26 -5.572 -11.684 3.824 1.00 0.84 H new ATOM 0 HA LEU A 26 -4.846 -11.125 1.026 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -3.786 -10.089 3.675 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -2.838 -9.990 2.204 1.00 0.94 H new ATOM 0 HG LEU A 26 -4.635 -8.572 1.202 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -6.238 -7.448 2.660 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -6.533 -9.199 2.546 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -5.763 -8.520 3.999 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.985 -6.557 2.512 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -3.372 -7.616 3.804 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -2.595 -7.624 2.203 1.00 1.11 H new ATOM 382 N SER A 27 -4.012 -13.599 2.543 1.00 0.96 N ATOM 383 CA SER A 27 -3.079 -14.677 2.758 1.00 1.13 C ATOM 384 C SER A 27 -3.119 -15.677 1.611 1.00 1.20 C ATOM 385 O SER A 27 -2.275 -16.588 1.509 1.00 1.66 O ATOM 386 CB SER A 27 -3.318 -15.331 4.105 1.00 1.36 C ATOM 387 OG SER A 27 -2.185 -16.057 4.544 1.00 1.89 O ATOM 0 H SER A 27 -4.992 -13.822 2.718 1.00 0.96 H new ATOM 0 HA SER A 27 -2.071 -14.264 2.775 1.00 1.13 H new ATOM 0 HB2 SER A 27 -3.568 -14.567 4.841 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.175 -16.001 4.037 1.00 1.36 H new ATOM 0 HG SER A 27 -1.806 -16.558 3.792 1.00 1.89 H new ATOM 393 N GLY A 28 -4.067 -15.497 0.755 1.00 1.48 N ATOM 394 CA GLY A 28 -4.158 -16.313 -0.420 1.00 1.67 C ATOM 395 C GLY A 28 -3.306 -15.730 -1.486 1.00 1.54 C ATOM 396 O GLY A 28 -2.316 -16.321 -1.925 1.00 2.30 O ATOM 0 H GLY A 28 -4.796 -14.789 0.843 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -3.837 -17.330 -0.197 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -5.193 -16.372 -0.757 1.00 1.67 H new ATOM 400 N ASP A 29 -3.681 -14.560 -1.857 1.00 1.09 N ATOM 401 CA ASP A 29 -2.974 -13.709 -2.795 1.00 1.07 C ATOM 402 C ASP A 29 -3.606 -12.361 -2.767 1.00 0.87 C ATOM 403 O ASP A 29 -4.826 -12.230 -2.911 1.00 1.13 O ATOM 404 CB ASP A 29 -2.970 -14.221 -4.246 1.00 1.48 C ATOM 405 CG ASP A 29 -2.230 -13.254 -5.173 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.987 -13.370 -5.335 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.872 -12.373 -5.771 1.00 2.97 O ATOM 0 H ASP A 29 -4.536 -14.130 -1.505 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.932 -13.693 -2.477 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -2.496 -15.202 -4.287 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.996 -14.348 -4.592 1.00 1.48 H new ATOM 412 N PHE A 30 -2.824 -11.374 -2.530 1.00 0.67 N ATOM 413 CA PHE A 30 -3.319 -10.034 -2.530 1.00 0.57 C ATOM 414 C PHE A 30 -2.565 -9.235 -3.579 1.00 0.49 C ATOM 415 O PHE A 30 -2.714 -8.042 -3.693 1.00 0.48 O ATOM 416 CB PHE A 30 -3.181 -9.395 -1.123 1.00 0.59 C ATOM 417 CG PHE A 30 -1.764 -9.118 -0.670 1.00 0.55 C ATOM 418 CD1 PHE A 30 -0.917 -10.166 -0.373 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.283 -7.821 -0.549 1.00 0.58 C ATOM 420 CE1 PHE A 30 0.377 -9.931 0.042 1.00 0.74 C ATOM 421 CE2 PHE A 30 0.012 -7.581 -0.133 1.00 0.65 C ATOM 422 CZ PHE A 30 0.828 -8.582 0.157 1.00 0.73 C ATOM 0 H PHE A 30 -1.828 -11.463 -2.331 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.381 -10.034 -2.776 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -3.737 -8.458 -1.113 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -3.654 -10.054 -0.395 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.271 -11.182 -0.467 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -1.930 -6.989 -0.783 1.00 0.58 H new ATOM 0 HE1 PHE A 30 1.037 -10.753 0.276 1.00 0.74 H new ATOM 0 HE2 PHE A 30 0.363 -6.564 -0.043 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.838 -8.377 0.481 1.00 0.73 H new ATOM 432 N LEU A 31 -1.789 -9.930 -4.389 1.00 0.54 N ATOM 433 CA LEU A 31 -0.956 -9.286 -5.359 1.00 0.60 C ATOM 434 C LEU A 31 -1.721 -8.935 -6.601 1.00 0.63 C ATOM 435 O LEU A 31 -1.436 -7.931 -7.240 1.00 0.72 O ATOM 436 CB LEU A 31 0.291 -10.105 -5.697 1.00 0.75 C ATOM 437 CG LEU A 31 1.397 -10.177 -4.623 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.786 -8.783 -4.153 1.00 0.75 C ATOM 439 CD2 LEU A 31 1.008 -11.077 -3.457 1.00 1.43 C ATOM 0 H LEU A 31 -1.726 -10.948 -4.386 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.614 -8.358 -4.900 1.00 0.60 H new ATOM 0 HB2 LEU A 31 -0.025 -11.123 -5.926 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.729 -9.694 -6.607 1.00 0.75 H new ATOM 0 HG LEU A 31 2.273 -10.632 -5.086 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.567 -8.859 -3.396 1.00 0.75 H new ATOM 0 HD12 LEU A 31 2.156 -8.204 -4.999 1.00 0.75 H new ATOM 0 HD13 LEU A 31 0.914 -8.286 -3.726 1.00 0.75 H new ATOM 0 HD21 LEU A 31 1.817 -11.097 -2.727 1.00 1.43 H new ATOM 0 HD22 LEU A 31 0.103 -10.692 -2.986 1.00 1.43 H new ATOM 0 HD23 LEU A 31 0.825 -12.087 -3.823 1.00 1.43 H new ATOM 451 N ASP A 32 -2.673 -9.758 -6.970 1.00 0.66 N ATOM 452 CA ASP A 32 -3.507 -9.457 -8.133 1.00 0.83 C ATOM 453 C ASP A 32 -4.924 -9.151 -7.666 1.00 0.73 C ATOM 454 O ASP A 32 -5.903 -9.220 -8.408 1.00 0.96 O ATOM 455 CB ASP A 32 -3.468 -10.605 -9.138 1.00 1.10 C ATOM 456 CG ASP A 32 -4.090 -10.233 -10.461 1.00 1.70 C ATOM 457 OD1 ASP A 32 -3.636 -9.240 -11.089 1.00 2.33 O ATOM 458 OD2 ASP A 32 -5.010 -10.945 -10.921 1.00 2.26 O ATOM 0 H ASP A 32 -2.896 -10.633 -6.496 1.00 0.66 H new ATOM 0 HA ASP A 32 -3.119 -8.578 -8.648 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.434 -10.909 -9.299 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -3.992 -11.466 -8.723 1.00 1.10 H new ATOM 463 N LEU A 33 -5.004 -8.788 -6.423 1.00 0.50 N ATOM 464 CA LEU A 33 -6.231 -8.410 -5.794 1.00 0.50 C ATOM 465 C LEU A 33 -6.221 -6.886 -5.708 1.00 0.50 C ATOM 466 O LEU A 33 -5.303 -6.314 -5.153 1.00 0.78 O ATOM 467 CB LEU A 33 -6.279 -9.059 -4.412 1.00 0.49 C ATOM 468 CG LEU A 33 -7.537 -8.854 -3.589 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.754 -9.391 -4.327 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.381 -9.537 -2.242 1.00 0.70 C ATOM 0 H LEU A 33 -4.196 -8.745 -5.802 1.00 0.50 H new ATOM 0 HA LEU A 33 -7.113 -8.737 -6.345 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.130 -10.131 -4.538 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.434 -8.685 -3.834 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.687 -7.786 -3.429 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.646 -9.234 -3.720 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.864 -8.867 -5.276 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.625 -10.457 -4.514 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.285 -9.389 -1.652 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.216 -10.604 -2.392 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -6.529 -9.109 -1.714 1.00 0.70 H new ATOM 482 N ARG A 34 -7.203 -6.241 -6.281 1.00 0.34 N ATOM 483 CA ARG A 34 -7.195 -4.779 -6.371 1.00 0.37 C ATOM 484 C ARG A 34 -7.578 -4.138 -5.064 1.00 0.35 C ATOM 485 O ARG A 34 -8.397 -4.679 -4.317 1.00 0.40 O ATOM 486 CB ARG A 34 -8.178 -4.286 -7.419 1.00 0.45 C ATOM 487 CG ARG A 34 -7.871 -4.653 -8.850 1.00 0.60 C ATOM 488 CD ARG A 34 -9.022 -4.209 -9.732 1.00 1.01 C ATOM 489 NE ARG A 34 -10.259 -4.902 -9.344 1.00 1.74 N ATOM 490 CZ ARG A 34 -11.466 -4.343 -9.206 1.00 2.51 C ATOM 491 NH1 ARG A 34 -11.631 -3.036 -9.390 1.00 2.74 N ATOM 492 NH2 ARG A 34 -12.511 -5.106 -8.859 1.00 3.50 N ATOM 0 H ARG A 34 -8.021 -6.689 -6.695 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.176 -4.501 -6.640 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.166 -4.674 -7.171 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.236 -3.200 -7.349 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.945 -4.175 -9.171 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.722 -5.729 -8.939 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.159 -3.131 -9.647 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -8.791 -4.420 -10.776 1.00 1.01 H new ATOM 0 HE ARG A 34 -10.190 -5.903 -9.163 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -10.833 -2.451 -9.639 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -12.555 -2.619 -9.283 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -12.383 -6.106 -8.702 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -13.435 -4.687 -8.752 1.00 3.50 H new ATOM 506 N PHE A 35 -7.037 -2.948 -4.820 1.00 0.36 N ATOM 507 CA PHE A 35 -7.414 -2.157 -3.643 1.00 0.39 C ATOM 508 C PHE A 35 -8.895 -1.829 -3.705 1.00 0.47 C ATOM 509 O PHE A 35 -9.584 -1.798 -2.697 1.00 0.54 O ATOM 510 CB PHE A 35 -6.624 -0.847 -3.556 1.00 0.41 C ATOM 511 CG PHE A 35 -5.155 -0.997 -3.284 1.00 0.38 C ATOM 512 CD1 PHE A 35 -4.706 -1.303 -2.009 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.228 -0.807 -4.289 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.360 -1.423 -1.745 1.00 0.47 C ATOM 515 CE2 PHE A 35 -2.881 -0.920 -4.029 1.00 0.47 C ATOM 516 CZ PHE A 35 -2.446 -1.228 -2.755 1.00 0.47 C ATOM 0 H PHE A 35 -6.337 -2.507 -5.417 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.186 -2.754 -2.760 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -6.749 -0.304 -4.493 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.061 -0.231 -2.770 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.421 -1.449 -1.213 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.562 -0.568 -5.288 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.023 -1.669 -0.749 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.164 -0.768 -4.822 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.389 -1.316 -2.551 1.00 0.47 H new ATOM 526 N GLU A 36 -9.370 -1.636 -4.917 1.00 0.57 N ATOM 527 CA GLU A 36 -10.753 -1.299 -5.182 1.00 0.76 C ATOM 528 C GLU A 36 -11.669 -2.429 -4.742 1.00 0.74 C ATOM 529 O GLU A 36 -12.727 -2.204 -4.165 1.00 0.87 O ATOM 530 CB GLU A 36 -10.943 -1.102 -6.674 1.00 0.97 C ATOM 531 CG GLU A 36 -9.963 -0.152 -7.314 1.00 1.31 C ATOM 532 CD GLU A 36 -10.319 0.108 -8.741 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.116 -0.785 -9.592 1.00 2.06 O ATOM 534 OE2 GLU A 36 -10.840 1.217 -9.033 1.00 1.81 O ATOM 0 H GLU A 36 -8.798 -1.710 -5.758 1.00 0.57 H new ATOM 0 HA GLU A 36 -10.997 -0.390 -4.633 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -10.864 -2.071 -7.167 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.954 -0.735 -6.852 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -9.950 0.788 -6.762 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -8.958 -0.569 -7.257 1.00 1.31 H new ATOM 541 N ASP A 37 -11.216 -3.650 -4.988 1.00 0.66 N ATOM 542 CA ASP A 37 -11.997 -4.848 -4.724 1.00 0.73 C ATOM 543 C ASP A 37 -12.010 -5.146 -3.235 1.00 0.73 C ATOM 544 O ASP A 37 -12.957 -5.726 -2.717 1.00 0.89 O ATOM 545 CB ASP A 37 -11.410 -6.032 -5.496 1.00 0.75 C ATOM 546 CG ASP A 37 -12.294 -7.271 -5.468 1.00 1.29 C ATOM 547 OD1 ASP A 37 -13.215 -7.365 -6.318 1.00 1.28 O ATOM 548 OD2 ASP A 37 -12.063 -8.181 -4.655 1.00 2.20 O ATOM 0 H ASP A 37 -10.292 -3.837 -5.378 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.022 -4.684 -5.055 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.246 -5.735 -6.532 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -10.435 -6.281 -5.078 1.00 0.75 H new ATOM 553 N ILE A 38 -10.970 -4.699 -2.546 1.00 0.63 N ATOM 554 CA ILE A 38 -10.866 -4.911 -1.111 1.00 0.68 C ATOM 555 C ILE A 38 -11.373 -3.705 -0.316 1.00 0.68 C ATOM 556 O ILE A 38 -11.119 -3.582 0.880 1.00 0.73 O ATOM 557 CB ILE A 38 -9.437 -5.314 -0.650 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.398 -4.246 -1.008 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.050 -6.635 -1.263 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.983 -4.568 -0.551 1.00 0.64 C ATOM 0 H ILE A 38 -10.188 -4.189 -2.957 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.516 -5.759 -0.896 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.455 -5.406 0.436 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.395 -4.107 -2.089 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.703 -3.297 -0.566 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -8.048 -6.909 -0.934 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.757 -7.403 -0.949 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.065 -6.550 -2.350 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.313 -3.760 -0.845 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.967 -4.676 0.533 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.654 -5.499 -1.013 1.00 0.64 H new ATOM 572 N GLY A 39 -12.136 -2.863 -0.987 1.00 0.69 N ATOM 573 CA GLY A 39 -12.777 -1.733 -0.355 1.00 0.77 C ATOM 574 C GLY A 39 -11.829 -0.648 0.125 1.00 0.65 C ATOM 575 O GLY A 39 -12.044 -0.077 1.194 1.00 0.74 O ATOM 0 H GLY A 39 -12.327 -2.946 -1.986 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.483 -1.293 -1.059 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.357 -2.091 0.496 1.00 0.77 H new ATOM 579 N TYR A 40 -10.782 -0.378 -0.621 1.00 0.52 N ATOM 580 CA TYR A 40 -9.898 0.714 -0.277 1.00 0.47 C ATOM 581 C TYR A 40 -10.146 1.912 -1.118 1.00 0.49 C ATOM 582 O TYR A 40 -9.933 1.899 -2.332 1.00 0.61 O ATOM 583 CB TYR A 40 -8.408 0.331 -0.270 1.00 0.46 C ATOM 584 CG TYR A 40 -8.002 -0.285 1.030 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.284 -1.607 1.335 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.379 0.489 1.984 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.945 -2.138 2.560 1.00 0.74 C ATOM 588 CE2 TYR A 40 -7.051 -0.014 3.208 1.00 0.78 C ATOM 589 CZ TYR A 40 -7.329 -1.323 3.499 1.00 0.81 C ATOM 590 OH TYR A 40 -7.016 -1.804 4.733 1.00 1.02 O ATOM 0 H TYR A 40 -10.523 -0.893 -1.462 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.143 0.968 0.754 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.208 -0.368 -1.082 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.803 1.218 -0.457 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.776 -2.229 0.602 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -7.145 1.519 1.757 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.155 -3.173 2.786 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -6.575 0.616 3.944 1.00 0.78 H new ATOM 0 HH TYR A 40 -6.148 -2.258 4.697 1.00 1.02 H new ATOM 600 N ASP A 41 -10.621 2.945 -0.469 1.00 0.48 N ATOM 601 CA ASP A 41 -10.882 4.203 -1.119 1.00 0.56 C ATOM 602 C ASP A 41 -9.642 5.051 -1.085 1.00 0.45 C ATOM 603 O ASP A 41 -8.603 4.644 -0.544 1.00 0.39 O ATOM 604 CB ASP A 41 -12.022 5.000 -0.443 1.00 0.75 C ATOM 605 CG ASP A 41 -13.347 4.298 -0.421 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.962 4.152 -1.489 1.00 1.20 O ATOM 607 OD2 ASP A 41 -13.799 3.875 0.665 1.00 2.01 O ATOM 0 H ASP A 41 -10.838 2.937 0.528 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.184 3.972 -2.141 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.730 5.228 0.582 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -12.139 5.952 -0.961 1.00 0.75 H new ATOM 612 N SER A 42 -9.789 6.236 -1.611 1.00 0.57 N ATOM 613 CA SER A 42 -8.759 7.233 -1.700 1.00 0.62 C ATOM 614 C SER A 42 -8.087 7.481 -0.328 1.00 0.53 C ATOM 615 O SER A 42 -6.877 7.291 -0.178 1.00 0.54 O ATOM 616 CB SER A 42 -9.420 8.499 -2.222 1.00 0.83 C ATOM 617 OG SER A 42 -8.452 9.526 -2.483 1.00 1.24 O ATOM 0 H SER A 42 -10.675 6.547 -2.009 1.00 0.57 H new ATOM 0 HA SER A 42 -7.965 6.903 -2.370 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.969 8.274 -3.136 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.147 8.859 -1.494 1.00 0.83 H new ATOM 622 N LEU A 43 -8.898 7.829 0.674 1.00 0.53 N ATOM 623 CA LEU A 43 -8.401 8.141 2.019 1.00 0.54 C ATOM 624 C LEU A 43 -7.710 6.944 2.649 1.00 0.45 C ATOM 625 O LEU A 43 -6.607 7.064 3.171 1.00 0.47 O ATOM 626 CB LEU A 43 -9.534 8.641 2.927 1.00 0.68 C ATOM 627 CG LEU A 43 -10.189 9.966 2.526 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.368 10.273 3.442 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.171 11.099 2.580 1.00 0.90 C ATOM 0 H LEU A 43 -9.911 7.903 0.579 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.666 8.939 1.913 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.308 7.874 2.963 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.141 8.746 3.938 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.556 9.875 1.504 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.823 11.218 3.145 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.106 9.474 3.365 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.019 10.347 4.472 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.652 12.034 2.292 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.780 11.189 3.593 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.352 10.886 1.893 1.00 0.90 H new ATOM 641 N ALA A 44 -8.350 5.796 2.564 1.00 0.44 N ATOM 642 CA ALA A 44 -7.820 4.550 3.094 1.00 0.41 C ATOM 643 C ALA A 44 -6.459 4.194 2.476 1.00 0.35 C ATOM 644 O ALA A 44 -5.595 3.619 3.149 1.00 0.38 O ATOM 645 CB ALA A 44 -8.823 3.435 2.878 1.00 0.43 C ATOM 0 H ALA A 44 -9.263 5.697 2.121 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.655 4.680 4.163 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.422 2.503 3.276 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.754 3.678 3.391 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -9.016 3.320 1.811 1.00 0.43 H new ATOM 651 N LEU A 45 -6.262 4.548 1.209 1.00 0.34 N ATOM 652 CA LEU A 45 -4.992 4.298 0.535 1.00 0.33 C ATOM 653 C LEU A 45 -3.906 5.153 1.228 1.00 0.32 C ATOM 654 O LEU A 45 -2.836 4.647 1.571 1.00 0.36 O ATOM 655 CB LEU A 45 -5.086 4.689 -0.965 1.00 0.48 C ATOM 656 CG LEU A 45 -4.070 4.063 -1.979 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.638 4.069 -1.497 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.469 2.679 -2.398 1.00 0.37 C ATOM 0 H LEU A 45 -6.964 5.008 0.630 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.744 3.238 0.596 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.090 4.438 -1.308 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -4.989 5.773 -1.029 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.112 4.719 -2.848 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.997 3.619 -2.255 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.320 5.095 -1.315 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.563 3.497 -0.572 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.735 2.286 -3.101 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.515 2.032 -1.522 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.448 2.712 -2.876 1.00 0.37 H new ATOM 670 N MET A 46 -4.225 6.437 1.460 1.00 0.37 N ATOM 671 CA MET A 46 -3.283 7.411 2.086 1.00 0.46 C ATOM 672 C MET A 46 -2.854 6.871 3.418 1.00 0.48 C ATOM 673 O MET A 46 -1.675 6.759 3.722 1.00 0.54 O ATOM 674 CB MET A 46 -3.976 8.745 2.373 1.00 0.59 C ATOM 675 CG MET A 46 -4.899 9.223 1.307 1.00 0.54 C ATOM 676 SD MET A 46 -5.535 10.883 1.631 1.00 0.89 S ATOM 677 CE MET A 46 -4.010 11.837 1.576 1.00 1.84 C ATOM 0 H MET A 46 -5.133 6.838 1.225 1.00 0.37 H new ATOM 0 HA MET A 46 -2.449 7.558 1.400 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.538 8.652 3.302 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.212 9.505 2.537 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.377 9.218 0.350 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.735 8.529 1.217 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.238 12.874 1.331 1.00 1.84 H new ATOM 0 HE2 MET A 46 -3.518 11.793 2.548 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.348 11.422 0.816 1.00 1.84 H new ATOM 687 N GLU A 47 -3.856 6.513 4.170 1.00 0.49 N ATOM 688 CA GLU A 47 -3.753 5.925 5.474 1.00 0.55 C ATOM 689 C GLU A 47 -2.806 4.710 5.488 1.00 0.54 C ATOM 690 O GLU A 47 -1.934 4.596 6.360 1.00 0.71 O ATOM 691 CB GLU A 47 -5.158 5.540 5.872 1.00 0.58 C ATOM 692 CG GLU A 47 -6.007 6.696 6.350 1.00 0.82 C ATOM 693 CD GLU A 47 -5.400 7.418 7.520 1.00 1.48 C ATOM 694 OE1 GLU A 47 -5.115 6.770 8.552 1.00 1.84 O ATOM 695 OE2 GLU A 47 -5.184 8.630 7.434 1.00 2.31 O ATOM 0 H GLU A 47 -4.824 6.631 3.870 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.321 6.631 6.183 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.649 5.072 5.019 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.107 4.791 6.662 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -6.151 7.399 5.530 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.993 6.326 6.629 1.00 0.82 H new ATOM 702 N THR A 48 -2.968 3.838 4.513 1.00 0.42 N ATOM 703 CA THR A 48 -2.122 2.667 4.361 1.00 0.42 C ATOM 704 C THR A 48 -0.672 3.105 4.059 1.00 0.39 C ATOM 705 O THR A 48 0.276 2.695 4.748 1.00 0.41 O ATOM 706 CB THR A 48 -2.644 1.795 3.189 1.00 0.41 C ATOM 707 OG1 THR A 48 -4.019 1.425 3.422 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.801 0.531 3.034 1.00 0.45 C ATOM 0 H THR A 48 -3.693 3.920 3.800 1.00 0.42 H new ATOM 0 HA THR A 48 -2.144 2.091 5.286 1.00 0.42 H new ATOM 0 HB THR A 48 -2.572 2.381 2.273 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.604 2.175 3.187 1.00 0.44 H new ATOM 0 HG21 THR A 48 -2.186 -0.064 2.206 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.766 0.806 2.832 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.848 -0.053 3.953 1.00 0.45 H new ATOM 716 N ALA A 49 -0.525 3.946 3.035 1.00 0.39 N ATOM 717 CA ALA A 49 0.772 4.416 2.571 1.00 0.40 C ATOM 718 C ALA A 49 1.554 5.119 3.676 1.00 0.42 C ATOM 719 O ALA A 49 2.734 4.842 3.860 1.00 0.41 O ATOM 720 CB ALA A 49 0.611 5.340 1.368 1.00 0.43 C ATOM 0 H ALA A 49 -1.311 4.320 2.503 1.00 0.39 H new ATOM 0 HA ALA A 49 1.344 3.538 2.270 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.592 5.680 1.037 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.121 4.800 0.558 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.004 6.201 1.649 1.00 0.43 H new ATOM 726 N ALA A 50 0.880 5.977 4.432 1.00 0.46 N ATOM 727 CA ALA A 50 1.490 6.772 5.511 1.00 0.51 C ATOM 728 C ALA A 50 2.214 5.900 6.537 1.00 0.49 C ATOM 729 O ALA A 50 3.317 6.244 7.003 1.00 0.49 O ATOM 730 CB ALA A 50 0.427 7.616 6.196 1.00 0.62 C ATOM 0 H ALA A 50 -0.119 6.148 4.318 1.00 0.46 H new ATOM 0 HA ALA A 50 2.238 7.421 5.056 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.885 8.202 6.993 1.00 0.62 H new ATOM 0 HB2 ALA A 50 -0.029 8.288 5.469 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.338 6.965 6.618 1.00 0.62 H new ATOM 736 N ARG A 51 1.612 4.761 6.832 1.00 0.51 N ATOM 737 CA ARG A 51 2.135 3.784 7.792 1.00 0.54 C ATOM 738 C ARG A 51 3.501 3.272 7.286 1.00 0.50 C ATOM 739 O ARG A 51 4.429 3.041 8.056 1.00 0.61 O ATOM 740 CB ARG A 51 1.086 2.635 7.893 1.00 0.62 C ATOM 741 CG ARG A 51 1.204 1.601 9.037 1.00 0.87 C ATOM 742 CD ARG A 51 2.422 0.705 8.933 1.00 1.36 C ATOM 743 NE ARG A 51 2.268 -0.532 9.730 1.00 2.18 N ATOM 744 CZ ARG A 51 3.273 -1.283 10.189 1.00 3.05 C ATOM 745 NH1 ARG A 51 4.489 -0.761 10.352 1.00 3.48 N ATOM 746 NH2 ARG A 51 3.034 -2.515 10.598 1.00 3.91 N ATOM 0 H ARG A 51 0.729 4.477 6.407 1.00 0.51 H new ATOM 0 HA ARG A 51 2.291 4.217 8.780 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.101 3.096 7.969 1.00 0.62 H new ATOM 0 HB3 ARG A 51 1.110 2.086 6.952 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.235 2.130 9.990 1.00 0.87 H new ATOM 0 HG3 ARG A 51 0.308 0.980 9.046 1.00 0.87 H new ATOM 0 HD2 ARG A 51 2.593 0.445 7.888 1.00 1.36 H new ATOM 0 HD3 ARG A 51 3.303 1.249 9.274 1.00 1.36 H new ATOM 0 HE ARG A 51 1.319 -0.836 9.946 1.00 2.18 H new ATOM 0 HH11 ARG A 51 4.658 0.219 10.126 1.00 3.48 H new ATOM 0 HH12 ARG A 51 5.250 -1.342 10.703 1.00 3.48 H new ATOM 0 HH21 ARG A 51 2.086 -2.889 10.563 1.00 3.91 H new ATOM 0 HH22 ARG A 51 3.798 -3.093 10.949 1.00 3.91 H new ATOM 760 N LEU A 52 3.613 3.152 5.985 1.00 0.41 N ATOM 761 CA LEU A 52 4.816 2.659 5.353 1.00 0.39 C ATOM 762 C LEU A 52 5.840 3.787 5.191 1.00 0.36 C ATOM 763 O LEU A 52 7.014 3.640 5.572 1.00 0.38 O ATOM 764 CB LEU A 52 4.470 2.060 3.989 1.00 0.36 C ATOM 765 CG LEU A 52 3.415 0.944 3.986 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.185 0.447 2.577 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.831 -0.201 4.905 1.00 0.48 C ATOM 0 H LEU A 52 2.869 3.394 5.330 1.00 0.41 H new ATOM 0 HA LEU A 52 5.255 1.887 5.984 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.120 2.864 3.341 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.385 1.668 3.545 1.00 0.36 H new ATOM 0 HG LEU A 52 2.479 1.353 4.366 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.435 -0.344 2.588 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.835 1.270 1.953 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.119 0.056 2.172 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.068 -0.979 4.886 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.780 -0.615 4.564 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.943 0.172 5.923 1.00 0.48 H new ATOM 779 N GLU A 53 5.370 4.914 4.655 1.00 0.35 N ATOM 780 CA GLU A 53 6.185 6.112 4.387 1.00 0.37 C ATOM 781 C GLU A 53 6.986 6.530 5.603 1.00 0.41 C ATOM 782 O GLU A 53 8.198 6.705 5.511 1.00 0.45 O ATOM 783 CB GLU A 53 5.298 7.293 3.996 1.00 0.40 C ATOM 784 CG GLU A 53 4.532 7.149 2.704 1.00 0.44 C ATOM 785 CD GLU A 53 3.614 8.333 2.480 1.00 0.56 C ATOM 786 OE1 GLU A 53 2.645 8.488 3.222 1.00 0.91 O ATOM 787 OE2 GLU A 53 3.892 9.164 1.593 1.00 0.65 O ATOM 0 H GLU A 53 4.392 5.028 4.387 1.00 0.35 H new ATOM 0 HA GLU A 53 6.861 5.849 3.573 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.584 7.467 4.801 1.00 0.40 H new ATOM 0 HB3 GLU A 53 5.923 8.183 3.927 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.230 7.063 1.871 1.00 0.44 H new ATOM 0 HG3 GLU A 53 3.947 6.230 2.725 1.00 0.44 H new ATOM 794 N SER A 54 6.306 6.654 6.734 1.00 0.45 N ATOM 795 CA SER A 54 6.915 7.153 7.951 1.00 0.54 C ATOM 796 C SER A 54 8.075 6.254 8.415 1.00 0.52 C ATOM 797 O SER A 54 9.155 6.746 8.767 1.00 0.62 O ATOM 798 CB SER A 54 5.847 7.292 9.048 1.00 0.69 C ATOM 799 OG SER A 54 6.345 7.970 10.187 1.00 1.38 O ATOM 0 H SER A 54 5.320 6.411 6.830 1.00 0.45 H new ATOM 0 HA SER A 54 7.339 8.136 7.745 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.987 7.832 8.651 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.495 6.302 9.340 1.00 0.69 H new ATOM 0 HG SER A 54 5.637 8.040 10.861 1.00 1.38 H new ATOM 805 N ARG A 55 7.872 4.949 8.355 1.00 0.53 N ATOM 806 CA ARG A 55 8.876 4.013 8.820 1.00 0.62 C ATOM 807 C ARG A 55 10.073 3.916 7.857 1.00 0.57 C ATOM 808 O ARG A 55 11.222 3.935 8.291 1.00 0.68 O ATOM 809 CB ARG A 55 8.262 2.626 9.083 1.00 0.78 C ATOM 810 CG ARG A 55 9.287 1.570 9.468 1.00 0.95 C ATOM 811 CD ARG A 55 8.648 0.222 9.713 1.00 1.19 C ATOM 812 NE ARG A 55 9.666 -0.831 9.760 1.00 1.42 N ATOM 813 CZ ARG A 55 9.457 -2.127 9.493 1.00 1.79 C ATOM 814 NH1 ARG A 55 8.222 -2.628 9.470 1.00 1.97 N ATOM 815 NH2 ARG A 55 10.496 -2.927 9.324 1.00 2.41 N ATOM 0 H ARG A 55 7.023 4.517 7.990 1.00 0.53 H new ATOM 0 HA ARG A 55 9.258 4.400 9.764 1.00 0.62 H new ATOM 0 HB2 ARG A 55 7.523 2.710 9.879 1.00 0.78 H new ATOM 0 HB3 ARG A 55 7.732 2.297 8.189 1.00 0.78 H new ATOM 0 HG2 ARG A 55 10.030 1.480 8.675 1.00 0.95 H new ATOM 0 HG3 ARG A 55 9.816 1.889 10.366 1.00 0.95 H new ATOM 0 HD2 ARG A 55 8.094 0.242 10.651 1.00 1.19 H new ATOM 0 HD3 ARG A 55 7.929 0.005 8.923 1.00 1.19 H new ATOM 0 HE ARG A 55 10.613 -0.554 10.018 1.00 1.42 H new ATOM 0 HH11 ARG A 55 7.423 -2.023 9.657 1.00 1.97 H new ATOM 0 HH12 ARG A 55 8.076 -3.617 9.265 1.00 1.97 H new ATOM 0 HH21 ARG A 55 11.443 -2.555 9.397 1.00 2.41 H new ATOM 0 HH22 ARG A 55 10.350 -3.916 9.120 1.00 2.41 H new ATOM 829 N TYR A 56 9.802 3.853 6.569 1.00 0.49 N ATOM 830 CA TYR A 56 10.865 3.663 5.582 1.00 0.54 C ATOM 831 C TYR A 56 11.504 4.968 5.117 1.00 0.53 C ATOM 832 O TYR A 56 12.519 4.950 4.421 1.00 0.71 O ATOM 833 CB TYR A 56 10.376 2.819 4.400 1.00 0.57 C ATOM 834 CG TYR A 56 10.055 1.391 4.790 1.00 0.68 C ATOM 835 CD1 TYR A 56 11.043 0.415 4.781 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.779 1.026 5.195 1.00 0.66 C ATOM 837 CE1 TYR A 56 10.766 -0.886 5.156 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.493 -0.271 5.568 1.00 0.82 C ATOM 839 CZ TYR A 56 9.490 -1.221 5.550 1.00 1.02 C ATOM 840 OH TYR A 56 9.210 -2.511 5.936 1.00 1.20 O ATOM 0 H TYR A 56 8.864 3.929 6.175 1.00 0.49 H new ATOM 0 HA TYR A 56 11.658 3.113 6.090 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.487 3.282 3.972 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.139 2.815 3.622 1.00 0.57 H new ATOM 0 HD1 TYR A 56 12.045 0.677 4.476 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.996 1.770 5.219 1.00 0.66 H new ATOM 0 HE1 TYR A 56 11.545 -1.634 5.140 1.00 1.09 H new ATOM 0 HE2 TYR A 56 7.492 -0.540 5.873 1.00 0.82 H new ATOM 0 HH TYR A 56 8.265 -2.580 6.185 1.00 1.20 H new ATOM 850 N GLY A 57 10.912 6.080 5.482 1.00 0.44 N ATOM 851 CA GLY A 57 11.463 7.377 5.132 1.00 0.45 C ATOM 852 C GLY A 57 11.198 7.750 3.687 1.00 0.45 C ATOM 853 O GLY A 57 12.001 8.442 3.054 1.00 0.60 O ATOM 0 H GLY A 57 10.047 6.118 6.022 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.035 8.138 5.785 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.538 7.372 5.311 1.00 0.45 H new ATOM 857 N VAL A 58 10.074 7.303 3.166 1.00 0.37 N ATOM 858 CA VAL A 58 9.715 7.591 1.788 1.00 0.39 C ATOM 859 C VAL A 58 8.420 8.378 1.779 1.00 0.40 C ATOM 860 O VAL A 58 7.892 8.685 2.852 1.00 0.42 O ATOM 861 CB VAL A 58 9.532 6.293 0.916 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.705 5.368 1.080 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.244 5.547 1.245 1.00 0.38 C ATOM 0 H VAL A 58 9.392 6.739 3.673 1.00 0.37 H new ATOM 0 HA VAL A 58 10.534 8.160 1.348 1.00 0.39 H new ATOM 0 HB VAL A 58 9.471 6.624 -0.121 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.555 4.479 0.468 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.616 5.876 0.765 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.795 5.077 2.127 1.00 0.49 H new ATOM 0 HG21 VAL A 58 8.166 4.660 0.616 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.254 5.249 2.293 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.389 6.198 1.061 1.00 0.38 H new ATOM 873 N SER A 59 7.915 8.707 0.612 1.00 0.46 N ATOM 874 CA SER A 59 6.624 9.312 0.512 1.00 0.56 C ATOM 875 C SER A 59 6.054 9.017 -0.877 1.00 0.54 C ATOM 876 O SER A 59 6.820 8.843 -1.844 1.00 0.61 O ATOM 877 CB SER A 59 6.678 10.828 0.808 1.00 0.79 C ATOM 878 OG SER A 59 5.371 11.345 1.058 1.00 1.33 O ATOM 0 H SER A 59 8.388 8.561 -0.280 1.00 0.46 H new ATOM 0 HA SER A 59 5.963 8.886 1.267 1.00 0.56 H new ATOM 0 HB2 SER A 59 7.317 11.011 1.672 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.125 11.352 -0.037 1.00 0.79 H new ATOM 0 HG SER A 59 4.754 10.604 1.231 1.00 1.33 H new ATOM 884 N ILE A 60 4.752 8.898 -0.966 1.00 0.48 N ATOM 885 CA ILE A 60 4.074 8.656 -2.218 1.00 0.46 C ATOM 886 C ILE A 60 3.065 9.772 -2.453 1.00 0.50 C ATOM 887 O ILE A 60 2.268 10.085 -1.561 1.00 0.58 O ATOM 888 CB ILE A 60 3.338 7.274 -2.236 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.326 6.124 -1.985 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.610 7.062 -3.567 1.00 0.43 C ATOM 891 CD1 ILE A 60 3.679 4.757 -1.958 1.00 1.13 C ATOM 0 H ILE A 60 4.126 8.967 -0.164 1.00 0.48 H new ATOM 0 HA ILE A 60 4.823 8.636 -3.010 1.00 0.46 H new ATOM 0 HB ILE A 60 2.601 7.279 -1.433 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.090 6.138 -2.762 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.833 6.294 -1.035 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.106 6.096 -3.556 1.00 0.43 H new ATOM 0 HG22 ILE A 60 1.874 7.853 -3.709 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.331 7.086 -4.384 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.440 3.998 -1.776 1.00 1.13 H new ATOM 0 HD12 ILE A 60 2.935 4.722 -1.163 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.196 4.564 -2.916 1.00 1.13 H new ATOM 903 N PRO A 61 3.127 10.429 -3.623 1.00 0.52 N ATOM 904 CA PRO A 61 2.182 11.488 -3.988 1.00 0.58 C ATOM 905 C PRO A 61 0.721 11.002 -3.946 1.00 0.52 C ATOM 906 O PRO A 61 0.414 9.881 -4.410 1.00 0.45 O ATOM 907 CB PRO A 61 2.579 11.835 -5.426 1.00 0.63 C ATOM 908 CG PRO A 61 3.997 11.418 -5.542 1.00 0.65 C ATOM 909 CD PRO A 61 4.141 10.212 -4.671 1.00 0.56 C ATOM 0 HA PRO A 61 2.228 12.332 -3.299 1.00 0.58 H new ATOM 0 HB2 PRO A 61 1.952 11.309 -6.147 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.464 12.901 -5.621 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.253 11.186 -6.576 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.666 12.215 -5.219 1.00 0.65 H new ATOM 0 HD2 PRO A 61 3.957 9.291 -5.225 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.144 10.136 -4.251 1.00 0.56 H new ATOM 917 N ASP A 62 -0.148 11.855 -3.403 1.00 0.64 N ATOM 918 CA ASP A 62 -1.602 11.617 -3.238 1.00 0.72 C ATOM 919 C ASP A 62 -2.227 10.995 -4.476 1.00 0.61 C ATOM 920 O ASP A 62 -2.962 10.004 -4.392 1.00 0.65 O ATOM 921 CB ASP A 62 -2.332 12.943 -2.984 1.00 1.00 C ATOM 922 CG ASP A 62 -1.911 13.671 -1.736 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.778 14.204 -1.691 1.00 1.40 O ATOM 924 OD2 ASP A 62 -2.696 13.679 -0.759 1.00 1.97 O ATOM 0 H ASP A 62 0.141 12.767 -3.050 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.706 10.934 -2.395 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.172 13.598 -3.840 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -3.403 12.746 -2.928 1.00 1.00 H new ATOM 929 N ASP A 63 -1.930 11.579 -5.626 1.00 0.57 N ATOM 930 CA ASP A 63 -2.498 11.132 -6.891 1.00 0.62 C ATOM 931 C ASP A 63 -1.999 9.755 -7.275 1.00 0.52 C ATOM 932 O ASP A 63 -2.789 8.889 -7.635 1.00 0.65 O ATOM 933 CB ASP A 63 -2.195 12.126 -8.020 1.00 0.78 C ATOM 934 CG ASP A 63 -2.771 11.697 -9.356 1.00 1.29 C ATOM 935 OD1 ASP A 63 -3.977 11.863 -9.582 1.00 1.94 O ATOM 936 OD2 ASP A 63 -2.004 11.175 -10.206 1.00 1.87 O ATOM 0 H ASP A 63 -1.293 12.371 -5.711 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.577 11.079 -6.748 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.597 13.104 -7.754 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -1.115 12.241 -8.116 1.00 0.78 H new ATOM 941 N VAL A 64 -0.705 9.539 -7.105 1.00 0.42 N ATOM 942 CA VAL A 64 -0.044 8.303 -7.532 1.00 0.39 C ATOM 943 C VAL A 64 -0.512 7.100 -6.703 1.00 0.33 C ATOM 944 O VAL A 64 -0.573 5.975 -7.202 1.00 0.37 O ATOM 945 CB VAL A 64 1.512 8.439 -7.480 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.207 7.168 -7.965 1.00 0.55 C ATOM 947 CG2 VAL A 64 1.971 9.628 -8.311 1.00 0.56 C ATOM 0 H VAL A 64 -0.077 10.213 -6.667 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.331 8.128 -8.569 1.00 0.39 H new ATOM 0 HB VAL A 64 1.790 8.599 -6.438 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.288 7.302 -7.914 1.00 0.55 H new ATOM 0 HG12 VAL A 64 1.915 6.330 -7.333 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.915 6.964 -8.995 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.057 9.708 -8.263 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.662 9.489 -9.347 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.523 10.541 -7.919 1.00 0.56 H new ATOM 957 N ALA A 65 -0.920 7.363 -5.469 1.00 0.35 N ATOM 958 CA ALA A 65 -1.414 6.342 -4.580 1.00 0.38 C ATOM 959 C ALA A 65 -2.700 5.744 -5.139 1.00 0.43 C ATOM 960 O ALA A 65 -2.925 4.548 -5.063 1.00 0.47 O ATOM 961 CB ALA A 65 -1.643 6.938 -3.199 1.00 0.44 C ATOM 0 H ALA A 65 -0.914 8.298 -5.062 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.678 5.542 -4.494 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.017 6.166 -2.527 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.703 7.332 -2.812 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.374 7.744 -3.267 1.00 0.44 H new ATOM 967 N GLY A 66 -3.499 6.585 -5.766 1.00 0.49 N ATOM 968 CA GLY A 66 -4.736 6.144 -6.365 1.00 0.59 C ATOM 969 C GLY A 66 -4.547 5.779 -7.828 1.00 0.53 C ATOM 970 O GLY A 66 -5.505 5.558 -8.551 1.00 0.69 O ATOM 0 H GLY A 66 -3.309 7.582 -5.872 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.118 5.281 -5.820 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.484 6.932 -6.279 1.00 0.59 H new ATOM 974 N ARG A 67 -3.301 5.729 -8.270 1.00 0.45 N ATOM 975 CA ARG A 67 -2.997 5.393 -9.638 1.00 0.45 C ATOM 976 C ARG A 67 -2.383 4.022 -9.744 1.00 0.39 C ATOM 977 O ARG A 67 -1.932 3.618 -10.807 1.00 0.51 O ATOM 978 CB ARG A 67 -2.103 6.447 -10.284 1.00 0.56 C ATOM 979 CG ARG A 67 -2.765 7.809 -10.497 1.00 1.08 C ATOM 980 CD ARG A 67 -3.863 7.811 -11.578 1.00 1.48 C ATOM 981 NE ARG A 67 -5.025 6.939 -11.291 1.00 2.15 N ATOM 982 CZ ARG A 67 -6.301 7.232 -11.597 1.00 2.93 C ATOM 983 NH1 ARG A 67 -6.644 8.480 -11.919 1.00 3.24 N ATOM 984 NH2 ARG A 67 -7.236 6.291 -11.514 1.00 3.83 N ATOM 0 H ARG A 67 -2.483 5.920 -7.691 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.939 5.377 -10.186 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.218 6.583 -9.662 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.761 6.071 -11.248 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.198 8.142 -9.554 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -1.999 8.535 -10.771 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -4.219 8.833 -11.711 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -3.420 7.501 -12.525 1.00 1.48 H new ATOM 0 HE ARG A 67 -4.844 6.049 -10.826 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -5.937 9.215 -11.934 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -7.613 8.699 -12.151 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -6.985 5.348 -11.218 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -8.204 6.512 -11.746 1.00 3.83 H new ATOM 998 N VAL A 68 -2.352 3.307 -8.647 1.00 0.35 N ATOM 999 CA VAL A 68 -1.920 1.939 -8.689 1.00 0.34 C ATOM 1000 C VAL A 68 -3.137 1.043 -8.882 1.00 0.39 C ATOM 1001 O VAL A 68 -4.229 1.547 -9.162 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.041 1.514 -7.467 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.264 2.268 -7.495 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.748 1.766 -6.147 1.00 0.36 C ATOM 0 H VAL A 68 -2.619 3.648 -7.724 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.250 1.823 -9.541 1.00 0.34 H new ATOM 0 HB VAL A 68 -0.856 0.443 -7.546 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.875 1.970 -6.643 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.796 2.041 -8.419 1.00 0.33 H new ATOM 0 HG13 VAL A 68 0.067 3.339 -7.443 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.103 1.457 -5.324 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.974 2.828 -6.052 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.675 1.194 -6.116 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.004 -0.236 -8.722 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.148 -1.105 -8.972 1.00 0.49 C ATOM 1016 C ASP A 69 -4.184 -2.155 -7.925 1.00 0.40 C ATOM 1017 O ASP A 69 -5.136 -2.276 -7.138 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.008 -1.778 -10.346 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.307 -2.316 -10.892 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.145 -1.531 -11.373 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -5.546 -3.541 -10.756 1.00 0.86 O ATOM 0 H ASP A 69 -2.148 -0.707 -8.429 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.063 -0.514 -8.954 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.597 -1.058 -11.053 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.290 -2.595 -10.269 1.00 0.68 H new ATOM 1026 N THR A 70 -3.125 -2.891 -7.892 1.00 0.38 N ATOM 1027 CA THR A 70 -2.954 -3.944 -6.989 1.00 0.35 C ATOM 1028 C THR A 70 -1.756 -3.615 -6.077 1.00 0.33 C ATOM 1029 O THR A 70 -0.870 -2.827 -6.467 1.00 0.33 O ATOM 1030 CB THR A 70 -2.734 -5.239 -7.791 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.635 -5.052 -8.703 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.979 -5.558 -8.602 1.00 0.47 C ATOM 0 H THR A 70 -2.334 -2.759 -8.522 1.00 0.38 H new ATOM 0 HA THR A 70 -3.831 -4.082 -6.357 1.00 0.35 H new ATOM 0 HB THR A 70 -2.521 -6.054 -7.100 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.491 -5.875 -9.214 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.819 -6.475 -9.168 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.827 -5.689 -7.930 1.00 0.47 H new ATOM 0 HG23 THR A 70 -4.185 -4.738 -9.290 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.743 -4.148 -4.835 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.680 -3.925 -3.836 1.00 0.33 C ATOM 1042 C PRO A 71 0.743 -4.075 -4.358 1.00 0.29 C ATOM 1043 O PRO A 71 1.646 -3.414 -3.862 1.00 0.28 O ATOM 1044 CB PRO A 71 -0.972 -4.983 -2.791 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.442 -5.084 -2.815 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.817 -4.975 -4.262 1.00 0.39 C ATOM 0 HA PRO A 71 -0.703 -2.896 -3.478 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.499 -5.934 -3.037 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.605 -4.690 -1.808 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.779 -6.030 -2.390 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -2.901 -4.289 -2.228 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.867 -5.954 -4.738 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.794 -4.508 -4.389 1.00 0.39 H new ATOM 1054 N ARG A 72 0.936 -4.904 -5.376 1.00 0.31 N ATOM 1055 CA ARG A 72 2.269 -5.132 -5.933 1.00 0.31 C ATOM 1056 C ARG A 72 2.844 -3.826 -6.530 1.00 0.29 C ATOM 1057 O ARG A 72 4.046 -3.587 -6.489 1.00 0.31 O ATOM 1058 CB ARG A 72 2.244 -6.249 -7.001 1.00 0.36 C ATOM 1059 CG ARG A 72 1.540 -5.879 -8.298 1.00 0.48 C ATOM 1060 CD ARG A 72 1.616 -6.995 -9.320 1.00 0.58 C ATOM 1061 NE ARG A 72 0.698 -8.097 -9.029 1.00 1.01 N ATOM 1062 CZ ARG A 72 0.850 -9.354 -9.462 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.045 -9.803 -9.854 1.00 1.35 N ATOM 1064 NH2 ARG A 72 -0.182 -10.185 -9.427 1.00 2.47 N ATOM 0 H ARG A 72 0.191 -5.429 -5.834 1.00 0.31 H new ATOM 0 HA ARG A 72 2.918 -5.456 -5.120 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.270 -6.535 -7.231 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.756 -7.126 -6.577 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.495 -5.647 -8.091 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.991 -4.977 -8.711 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.391 -6.592 -10.308 1.00 0.58 H new ATOM 0 HD3 ARG A 72 2.636 -7.378 -9.357 1.00 0.58 H new ATOM 0 HE ARG A 72 -0.119 -7.892 -8.453 1.00 1.01 H new ATOM 0 HH11 ARG A 72 2.856 -9.185 -9.826 1.00 1.35 H new ATOM 0 HH12 ARG A 72 2.146 -10.764 -10.182 1.00 1.35 H new ATOM 0 HH21 ARG A 72 -1.083 -9.865 -9.072 1.00 2.47 H new ATOM 0 HH22 ARG A 72 -0.075 -11.145 -9.755 1.00 2.47 H new ATOM 1078 N GLU A 73 1.955 -2.963 -7.012 1.00 0.28 N ATOM 1079 CA GLU A 73 2.349 -1.712 -7.637 1.00 0.28 C ATOM 1080 C GLU A 73 2.694 -0.695 -6.571 1.00 0.25 C ATOM 1081 O GLU A 73 3.659 0.058 -6.700 1.00 0.25 O ATOM 1082 CB GLU A 73 1.213 -1.200 -8.519 1.00 0.33 C ATOM 1083 CG GLU A 73 0.731 -2.217 -9.537 1.00 0.45 C ATOM 1084 CD GLU A 73 1.793 -2.615 -10.532 1.00 1.15 C ATOM 1085 OE1 GLU A 73 2.798 -3.193 -10.118 1.00 2.06 O ATOM 1086 OE2 GLU A 73 1.662 -2.314 -11.735 1.00 1.24 O ATOM 0 H GLU A 73 0.947 -3.113 -6.979 1.00 0.28 H new ATOM 0 HA GLU A 73 3.229 -1.876 -8.259 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.376 -0.907 -7.886 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.546 -0.304 -9.042 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.381 -3.107 -9.014 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.124 -1.806 -10.074 1.00 0.45 H new ATOM 1093 N LEU A 74 1.920 -0.724 -5.496 1.00 0.27 N ATOM 1094 CA LEU A 74 2.111 0.159 -4.346 1.00 0.27 C ATOM 1095 C LEU A 74 3.468 -0.159 -3.733 1.00 0.25 C ATOM 1096 O LEU A 74 4.276 0.729 -3.442 1.00 0.25 O ATOM 1097 CB LEU A 74 1.000 -0.144 -3.324 1.00 0.30 C ATOM 1098 CG LEU A 74 0.757 0.866 -2.163 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.870 0.843 -1.135 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.579 2.273 -2.707 1.00 1.00 C ATOM 0 H LEU A 74 1.134 -1.365 -5.393 1.00 0.27 H new ATOM 0 HA LEU A 74 2.070 1.209 -4.637 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.064 -0.247 -3.874 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.217 -1.115 -2.878 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.159 0.555 -1.660 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.653 1.564 -0.347 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.945 -0.155 -0.703 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.814 1.103 -1.615 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.410 2.964 -1.881 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.476 2.569 -3.250 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.278 2.297 -3.381 1.00 1.00 H new ATOM 1112 N LEU A 75 3.687 -1.441 -3.571 1.00 0.29 N ATOM 1113 CA LEU A 75 4.890 -2.004 -3.030 1.00 0.34 C ATOM 1114 C LEU A 75 6.123 -1.542 -3.814 1.00 0.29 C ATOM 1115 O LEU A 75 7.149 -1.161 -3.224 1.00 0.30 O ATOM 1116 CB LEU A 75 4.750 -3.513 -3.109 1.00 0.49 C ATOM 1117 CG LEU A 75 5.957 -4.320 -2.745 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.274 -4.207 -1.268 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.780 -5.755 -3.180 1.00 0.90 C ATOM 0 H LEU A 75 2.998 -2.148 -3.826 1.00 0.29 H new ATOM 0 HA LEU A 75 5.028 -1.675 -2.000 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.930 -3.813 -2.456 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.460 -3.775 -4.126 1.00 0.49 H new ATOM 0 HG LEU A 75 6.817 -3.915 -3.279 1.00 0.42 H new ATOM 0 HD11 LEU A 75 7.156 -4.805 -1.038 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.467 -3.164 -1.016 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.427 -4.570 -0.685 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.666 -6.329 -2.909 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.906 -6.180 -2.686 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.640 -5.793 -4.260 1.00 0.90 H new ATOM 1131 N ASP A 76 5.997 -1.526 -5.133 1.00 0.29 N ATOM 1132 CA ASP A 76 7.099 -1.145 -5.999 1.00 0.33 C ATOM 1133 C ASP A 76 7.412 0.320 -5.843 1.00 0.29 C ATOM 1134 O ASP A 76 8.578 0.705 -5.840 1.00 0.33 O ATOM 1135 CB ASP A 76 6.822 -1.472 -7.464 1.00 0.40 C ATOM 1136 CG ASP A 76 7.996 -1.117 -8.358 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.913 -1.953 -8.517 1.00 0.70 O ATOM 1138 OD2 ASP A 76 8.027 0.000 -8.904 1.00 0.63 O ATOM 0 H ASP A 76 5.139 -1.774 -5.626 1.00 0.29 H new ATOM 0 HA ASP A 76 7.965 -1.732 -5.692 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.600 -2.535 -7.562 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.937 -0.929 -7.795 1.00 0.40 H new ATOM 1143 N LEU A 77 6.362 1.136 -5.683 1.00 0.25 N ATOM 1144 CA LEU A 77 6.509 2.580 -5.465 1.00 0.25 C ATOM 1145 C LEU A 77 7.393 2.849 -4.263 1.00 0.26 C ATOM 1146 O LEU A 77 8.312 3.689 -4.323 1.00 0.32 O ATOM 1147 CB LEU A 77 5.153 3.232 -5.214 1.00 0.26 C ATOM 1148 CG LEU A 77 4.146 3.223 -6.351 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.869 3.910 -5.909 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.716 3.905 -7.583 1.00 0.38 C ATOM 0 H LEU A 77 5.394 0.816 -5.701 1.00 0.25 H new ATOM 0 HA LEU A 77 6.960 3.001 -6.364 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.696 2.737 -4.357 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.327 4.269 -4.928 1.00 0.26 H new ATOM 0 HG LEU A 77 3.923 2.189 -6.612 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.149 3.901 -6.727 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.450 3.383 -5.052 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.088 4.940 -5.629 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.977 3.886 -8.384 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.966 4.939 -7.344 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.615 3.380 -7.906 1.00 0.38 H new ATOM 1162 N ILE A 78 7.112 2.122 -3.181 1.00 0.25 N ATOM 1163 CA ILE A 78 7.856 2.236 -1.940 1.00 0.29 C ATOM 1164 C ILE A 78 9.319 1.922 -2.183 1.00 0.34 C ATOM 1165 O ILE A 78 10.170 2.790 -2.049 1.00 0.40 O ATOM 1166 CB ILE A 78 7.333 1.247 -0.860 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.860 1.528 -0.495 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.222 1.310 0.392 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.631 2.859 0.199 1.00 0.46 C ATOM 0 H ILE A 78 6.357 1.436 -3.147 1.00 0.25 H new ATOM 0 HA ILE A 78 7.727 3.258 -1.584 1.00 0.29 H new ATOM 0 HB ILE A 78 7.379 0.241 -1.278 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.260 1.498 -1.405 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.499 0.728 0.151 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.846 0.613 1.141 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.244 1.040 0.126 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.208 2.321 0.798 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.570 2.976 0.420 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.200 2.888 1.128 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.958 3.670 -0.452 1.00 0.46 H new ATOM 1181 N ASN A 79 9.599 0.684 -2.570 1.00 0.37 N ATOM 1182 CA ASN A 79 10.978 0.224 -2.723 1.00 0.46 C ATOM 1183 C ASN A 79 11.715 0.949 -3.827 1.00 0.40 C ATOM 1184 O ASN A 79 12.927 1.087 -3.767 1.00 0.45 O ATOM 1185 CB ASN A 79 11.078 -1.290 -2.908 1.00 0.62 C ATOM 1186 CG ASN A 79 10.610 -2.084 -1.697 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.669 -1.618 -0.551 1.00 1.89 O ATOM 1188 ND2 ASN A 79 10.210 -3.303 -1.928 1.00 0.56 N ATOM 0 H ASN A 79 8.893 -0.020 -2.784 1.00 0.37 H new ATOM 0 HA ASN A 79 11.470 0.472 -1.783 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.485 -1.582 -3.775 1.00 0.62 H new ATOM 0 HB3 ASN A 79 12.113 -1.553 -3.127 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.934 -3.905 -1.152 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.173 -3.655 -2.885 1.00 0.56 H new ATOM 1195 N GLY A 80 10.981 1.428 -4.824 1.00 0.38 N ATOM 1196 CA GLY A 80 11.586 2.201 -5.882 1.00 0.41 C ATOM 1197 C GLY A 80 12.141 3.490 -5.331 1.00 0.45 C ATOM 1198 O GLY A 80 13.282 3.853 -5.602 1.00 0.55 O ATOM 0 H GLY A 80 9.974 1.292 -4.915 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.383 1.625 -6.353 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.847 2.415 -6.654 1.00 0.41 H new ATOM 1202 N ALA A 81 11.353 4.147 -4.501 1.00 0.44 N ATOM 1203 CA ALA A 81 11.776 5.375 -3.867 1.00 0.51 C ATOM 1204 C ALA A 81 12.844 5.076 -2.827 1.00 0.54 C ATOM 1205 O ALA A 81 13.862 5.746 -2.759 1.00 0.69 O ATOM 1206 CB ALA A 81 10.590 6.090 -3.232 1.00 0.52 C ATOM 0 H ALA A 81 10.411 3.846 -4.251 1.00 0.44 H new ATOM 0 HA ALA A 81 12.198 6.035 -4.625 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.931 7.012 -2.760 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.854 6.326 -4.000 1.00 0.52 H new ATOM 0 HB3 ALA A 81 10.136 5.444 -2.480 1.00 0.52 H new ATOM 1212 N LEU A 82 12.618 4.013 -2.070 1.00 0.44 N ATOM 1213 CA LEU A 82 13.475 3.578 -0.999 1.00 0.50 C ATOM 1214 C LEU A 82 14.895 3.258 -1.490 1.00 0.60 C ATOM 1215 O LEU A 82 15.866 3.554 -0.808 1.00 0.70 O ATOM 1216 CB LEU A 82 12.831 2.361 -0.330 1.00 0.48 C ATOM 1217 CG LEU A 82 13.587 1.730 0.814 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.742 2.698 1.978 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.917 0.444 1.252 1.00 0.66 C ATOM 0 H LEU A 82 11.802 3.415 -2.196 1.00 0.44 H new ATOM 0 HA LEU A 82 13.581 4.387 -0.276 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.847 2.656 0.035 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.672 1.599 -1.093 1.00 0.48 H new ATOM 0 HG LEU A 82 14.589 1.486 0.461 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.291 2.212 2.785 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.289 3.580 1.647 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.757 2.996 2.337 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.477 0.005 2.077 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.899 0.657 1.577 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.892 -0.256 0.417 1.00 0.66 H new ATOM 1231 N ALA A 83 14.997 2.680 -2.679 1.00 0.64 N ATOM 1232 CA ALA A 83 16.290 2.314 -3.267 1.00 0.79 C ATOM 1233 C ALA A 83 17.162 3.545 -3.528 1.00 0.95 C ATOM 1234 O ALA A 83 18.398 3.474 -3.485 1.00 1.13 O ATOM 1235 CB ALA A 83 16.089 1.534 -4.558 1.00 0.86 C ATOM 0 H ALA A 83 14.194 2.450 -3.265 1.00 0.64 H new ATOM 0 HA ALA A 83 16.808 1.682 -2.546 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.059 1.271 -4.979 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.526 0.624 -4.350 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.538 2.147 -5.271 1.00 0.86 H new ATOM 1241 N GLU A 84 16.519 4.657 -3.805 1.00 0.95 N ATOM 1242 CA GLU A 84 17.191 5.894 -4.056 1.00 1.17 C ATOM 1243 C GLU A 84 17.345 6.698 -2.757 1.00 1.25 C ATOM 1244 O GLU A 84 18.347 7.388 -2.545 1.00 1.52 O ATOM 1245 CB GLU A 84 16.359 6.700 -5.041 1.00 1.23 C ATOM 1246 CG GLU A 84 16.180 6.061 -6.412 1.00 1.40 C ATOM 1247 CD GLU A 84 17.484 5.898 -7.150 1.00 1.80 C ATOM 1248 OE1 GLU A 84 18.057 6.907 -7.589 1.00 2.17 O ATOM 1249 OE2 GLU A 84 17.970 4.750 -7.303 1.00 2.47 O ATOM 0 H GLU A 84 15.502 4.719 -3.861 1.00 0.95 H new ATOM 0 HA GLU A 84 18.183 5.690 -4.460 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.374 6.871 -4.606 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.824 7.677 -5.171 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.708 5.085 -6.295 1.00 1.40 H new ATOM 0 HG3 GLU A 84 15.503 6.673 -7.008 1.00 1.40 H new ATOM 1256 N ALA A 85 16.346 6.598 -1.902 1.00 1.13 N ATOM 1257 CA ALA A 85 16.273 7.375 -0.677 1.00 1.31 C ATOM 1258 C ALA A 85 17.134 6.826 0.460 1.00 1.69 C ATOM 1259 O ALA A 85 17.598 7.598 1.302 1.00 2.07 O ATOM 1260 CB ALA A 85 14.829 7.517 -0.229 1.00 1.28 C ATOM 0 H ALA A 85 15.554 5.970 -2.038 1.00 1.13 H new ATOM 0 HA ALA A 85 16.686 8.355 -0.916 1.00 1.31 H new ATOM 0 HB1 ALA A 85 14.789 8.101 0.690 1.00 1.28 H new ATOM 0 HB2 ALA A 85 14.255 8.022 -1.006 1.00 1.28 H new ATOM 0 HB3 ALA A 85 14.405 6.529 -0.049 1.00 1.28 H new ATOM 1266 N ALA A 86 17.343 5.531 0.516 1.00 1.91 N ATOM 1267 CA ALA A 86 18.142 4.968 1.584 1.00 2.53 C ATOM 1268 C ALA A 86 19.167 4.005 1.022 1.00 2.95 C ATOM 1269 O ALA A 86 19.229 2.836 1.469 1.00 3.39 O ATOM 1270 CB ALA A 86 17.245 4.273 2.599 1.00 3.21 C ATOM 1271 OXT ALA A 86 19.877 4.396 0.087 1.00 3.44 O ATOM 0 H ALA A 86 16.978 4.854 -0.154 1.00 1.91 H new ATOM 0 HA ALA A 86 18.674 5.774 2.090 1.00 2.53 H new ATOM 0 HB1 ALA A 86 17.856 3.853 3.398 1.00 3.21 H new ATOM 0 HB2 ALA A 86 16.544 4.994 3.019 1.00 3.21 H new ATOM 0 HB3 ALA A 86 16.691 3.473 2.108 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -8.716 10.484 -3.662 1.00 1.71 P HETATM 1279 O26 SDO A 101 -10.127 10.196 -4.276 1.00 2.14 O HETATM 1280 O23 SDO A 101 -7.492 10.454 -4.599 1.00 2.28 O HETATM 1281 O27 SDO A 101 -8.758 11.888 -3.000 1.00 1.72 O HETATM 1282 C28 SDO A 101 -9.834 12.183 -2.041 1.00 1.71 C HETATM 1283 C29 SDO A 101 -9.578 13.501 -1.313 1.00 1.77 C HETATM 1284 C30 SDO A 101 -10.833 13.818 -0.527 1.00 1.95 C HETATM 1285 C31 SDO A 101 -8.413 13.339 -0.385 1.00 1.99 C HETATM 1286 C32 SDO A 101 -9.242 14.654 -2.339 1.00 2.08 C HETATM 1287 O33 SDO A 101 -8.046 14.312 -3.056 1.00 2.35 O HETATM 1288 C34 SDO A 101 -8.977 15.972 -1.617 1.00 2.45 C HETATM 1289 O35 SDO A 101 -9.894 16.700 -1.200 1.00 3.01 O HETATM 1290 N36 SDO A 101 -7.705 16.274 -1.493 1.00 2.76 N HETATM 1291 C37 SDO A 101 -7.186 17.479 -0.851 1.00 3.46 C HETATM 1292 C38 SDO A 101 -6.326 17.163 0.384 1.00 3.69 C HETATM 1293 C39 SDO A 101 -7.114 16.662 1.616 1.00 3.12 C HETATM 1294 O40 SDO A 101 -6.535 16.358 2.666 1.00 3.47 O HETATM 1295 N41 SDO A 101 -8.433 16.582 1.471 1.00 2.75 N HETATM 1296 C42 SDO A 101 -9.364 16.132 2.500 1.00 2.56 C HETATM 1297 C43 SDO A 101 -10.785 16.473 2.123 1.00 3.16 C HETATM 1298 S1 SDO A 101 -12.150 15.710 3.052 1.00 3.65 S HETATM 1299 C1 SDO A 101 -11.696 14.556 4.388 1.00 3.41 C HETATM 1300 C2 SDO A 101 -10.228 14.280 4.675 1.00 3.06 C HETATM 1301 C3 SDO A 101 -9.823 13.270 5.847 1.00 3.84 C HETATM 1302 O3 SDO A 101 -8.609 13.093 6.029 1.00 4.23 O HETATM 1303 C4 SDO A 101 -10.810 12.466 6.804 1.00 4.62 C HETATM 1304 C5 SDO A 101 -12.321 12.632 6.640 1.00 4.78 C HETATM 1305 C6 SDO A 101 -13.106 11.787 7.649 1.00 5.75 C HETATM 1306 C7 SDO A 101 -14.634 11.859 7.465 1.00 6.28 C HETATM 1307 O7 SDO A 101 -15.398 11.220 8.210 1.00 7.10 O HETATM 1308 C8 SDO A 101 -15.195 12.724 6.349 1.00 6.09 C