USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 365 hydrogens (0 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 29 SER OG : rot 47:sc= 0.46 USER MOD Set 1.2: A 33 ASN : amide:sc= -4.63! X(o=-4.2!,f=-4.6) USER MOD Set 2.1: A 11 THR OG1 : rot 85:sc= 0.627 USER MOD Set 2.2: A 16 TYR OH : rot 150:sc= 0.587 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -170:sc= 0.0485 USER MOD Single : A 6 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.8) USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= 0.025 (180deg=-1.37!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 83:sc= 0.72 USER MOD Single : A 22 THR OG1 : rot 105:sc= 0.356 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.037) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0535 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.810 2.802 -10.788 1.00 0.00 N ATOM 2 CA ASP A 1 12.200 2.701 -12.222 1.00 0.00 C ATOM 3 C ASP A 1 10.971 2.966 -13.099 1.00 0.00 C ATOM 4 O ASP A 1 10.978 3.859 -13.925 1.00 0.00 O ATOM 5 CB ASP A 1 12.760 1.289 -12.507 1.00 0.00 C ATOM 6 CG ASP A 1 13.032 1.122 -14.015 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.076 1.593 -14.436 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.176 0.535 -14.657 1.00 0.00 O ATOM 0 H1 ASP A 1 12.641 2.623 -10.189 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.443 3.756 -10.594 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.074 2.098 -10.578 1.00 0.00 H new ATOM 0 HA ASP A 1 12.969 3.439 -12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.680 1.134 -11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 1 12.050 0.533 -12.172 1.00 0.00 H new ATOM 15 N ARG A 2 9.958 2.168 -12.881 1.00 0.00 N ATOM 16 CA ARG A 2 8.682 2.290 -13.652 1.00 0.00 C ATOM 17 C ARG A 2 7.503 2.130 -12.686 1.00 0.00 C ATOM 18 O ARG A 2 6.549 2.882 -12.751 1.00 0.00 O ATOM 19 CB ARG A 2 8.648 1.194 -14.737 1.00 0.00 C ATOM 20 CG ARG A 2 7.668 1.613 -15.854 1.00 0.00 C ATOM 21 CD ARG A 2 7.590 0.504 -16.915 1.00 0.00 C ATOM 22 NE ARG A 2 6.870 -0.660 -16.319 1.00 0.00 N ATOM 23 CZ ARG A 2 7.019 -1.848 -16.837 1.00 0.00 C ATOM 24 NH1 ARG A 2 8.057 -2.560 -16.493 1.00 0.00 N ATOM 25 NH2 ARG A 2 6.125 -2.284 -17.682 1.00 0.00 N ATOM 0 H ARG A 2 9.961 1.421 -12.187 1.00 0.00 H new ATOM 0 HA ARG A 2 8.615 3.266 -14.133 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.646 1.044 -15.150 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.337 0.244 -14.302 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.679 1.798 -15.434 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.999 2.545 -16.312 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.066 0.862 -17.801 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.591 0.210 -17.233 1.00 0.00 H new ATOM 0 HE ARG A 2 6.264 -0.527 -15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.735 -2.185 -15.829 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.190 -3.491 -16.888 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.327 -1.698 -17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.225 -3.210 -18.097 1.00 0.00 H new ATOM 39 N ILE A 3 7.610 1.151 -11.821 1.00 0.00 N ATOM 40 CA ILE A 3 6.539 0.879 -10.816 1.00 0.00 C ATOM 41 C ILE A 3 6.681 1.886 -9.657 1.00 0.00 C ATOM 42 O ILE A 3 7.154 1.575 -8.578 1.00 0.00 O ATOM 43 CB ILE A 3 6.700 -0.610 -10.348 1.00 0.00 C ATOM 44 CG1 ILE A 3 5.551 -0.992 -9.378 1.00 0.00 C ATOM 45 CG2 ILE A 3 8.071 -0.873 -9.670 1.00 0.00 C ATOM 46 CD1 ILE A 3 4.287 -1.289 -10.200 1.00 0.00 C ATOM 0 H ILE A 3 8.409 0.519 -11.770 1.00 0.00 H new ATOM 0 HA ILE A 3 5.538 1.004 -11.230 1.00 0.00 H new ATOM 0 HB ILE A 3 6.653 -1.233 -11.241 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.830 -1.864 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.363 -0.179 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.132 -1.918 -9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.873 -0.654 -10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.172 -0.233 -8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.472 -1.559 -9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.008 -0.404 -10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.483 -2.115 -10.883 1.00 0.00 H new ATOM 58 N CYS A 4 6.249 3.092 -9.934 1.00 0.00 N ATOM 59 CA CYS A 4 6.320 4.183 -8.917 1.00 0.00 C ATOM 60 C CYS A 4 5.056 4.257 -8.059 1.00 0.00 C ATOM 61 O CYS A 4 4.589 5.311 -7.668 1.00 0.00 O ATOM 62 CB CYS A 4 6.586 5.489 -9.692 1.00 0.00 C ATOM 63 SG CYS A 4 8.350 5.807 -9.916 1.00 0.00 S ATOM 0 H CYS A 4 5.847 3.368 -10.830 1.00 0.00 H new ATOM 0 HA CYS A 4 7.123 3.994 -8.204 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.102 5.435 -10.667 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.134 6.324 -9.158 1.00 0.00 H new ATOM 68 N THR A 5 4.555 3.081 -7.797 1.00 0.00 N ATOM 69 CA THR A 5 3.327 2.901 -6.972 1.00 0.00 C ATOM 70 C THR A 5 3.788 2.759 -5.512 1.00 0.00 C ATOM 71 O THR A 5 4.956 2.964 -5.232 1.00 0.00 O ATOM 72 CB THR A 5 2.572 1.617 -7.439 1.00 0.00 C ATOM 73 OG1 THR A 5 3.159 1.197 -8.665 1.00 0.00 O ATOM 74 CG2 THR A 5 1.132 1.960 -7.841 1.00 0.00 C ATOM 0 H THR A 5 4.961 2.208 -8.133 1.00 0.00 H new ATOM 0 HA THR A 5 2.646 3.746 -7.075 1.00 0.00 H new ATOM 0 HB THR A 5 2.614 0.884 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.611 0.490 -9.065 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.619 1.054 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.608 2.389 -6.987 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.144 2.681 -8.658 1.00 0.00 H new ATOM 82 N ASN A 6 2.864 2.419 -4.641 1.00 0.00 N ATOM 83 CA ASN A 6 3.174 2.242 -3.181 1.00 0.00 C ATOM 84 C ASN A 6 2.093 1.399 -2.483 1.00 0.00 C ATOM 85 O ASN A 6 1.033 1.149 -3.023 1.00 0.00 O ATOM 86 CB ASN A 6 3.229 3.601 -2.455 1.00 0.00 C ATOM 87 CG ASN A 6 4.456 4.413 -2.841 1.00 0.00 C ATOM 88 OD1 ASN A 6 5.577 4.086 -2.507 1.00 0.00 O ATOM 89 ND2 ASN A 6 4.291 5.493 -3.544 1.00 0.00 N ATOM 0 H ASN A 6 1.888 2.253 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 6 4.141 1.742 -3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.330 4.172 -2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.230 3.435 -1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.098 6.057 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.354 5.777 -3.830 1.00 0.00 H new ATOM 96 N CYS A 7 2.425 0.998 -1.284 1.00 0.00 N ATOM 97 CA CYS A 7 1.532 0.173 -0.423 1.00 0.00 C ATOM 98 C CYS A 7 0.325 1.002 0.044 1.00 0.00 C ATOM 99 O CYS A 7 -0.810 0.689 -0.257 1.00 0.00 O ATOM 100 CB CYS A 7 2.380 -0.299 0.755 1.00 0.00 C ATOM 101 SG CYS A 7 1.559 -0.559 2.348 1.00 0.00 S ATOM 0 H CYS A 7 3.321 1.221 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 7 1.129 -0.682 -0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.856 -1.237 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.176 0.430 0.906 1.00 0.00 H new ATOM 106 N CYS A 8 0.641 2.043 0.772 1.00 0.00 N ATOM 107 CA CYS A 8 -0.381 2.983 1.326 1.00 0.00 C ATOM 108 C CYS A 8 -1.177 3.589 0.172 1.00 0.00 C ATOM 109 O CYS A 8 -2.382 3.454 0.074 1.00 0.00 O ATOM 110 CB CYS A 8 0.349 4.075 2.081 1.00 0.00 C ATOM 111 SG CYS A 8 -0.461 5.687 2.218 1.00 0.00 S ATOM 0 H CYS A 8 1.601 2.288 1.013 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.067 2.463 1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.546 3.712 3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.316 4.225 1.602 1.00 0.00 H new ATOM 116 N ALA A 9 -0.414 4.246 -0.661 1.00 0.00 N ATOM 117 CA ALA A 9 -0.960 4.927 -1.872 1.00 0.00 C ATOM 118 C ALA A 9 -1.221 3.923 -3.010 1.00 0.00 C ATOM 119 O ALA A 9 -1.107 4.257 -4.174 1.00 0.00 O ATOM 120 CB ALA A 9 0.059 6.005 -2.309 1.00 0.00 C ATOM 0 H ALA A 9 0.595 4.341 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.919 5.388 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.314 6.521 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.197 6.724 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.013 5.531 -2.540 1.00 0.00 H new ATOM 126 N GLY A 10 -1.569 2.714 -2.639 1.00 0.00 N ATOM 127 CA GLY A 10 -1.849 1.655 -3.647 1.00 0.00 C ATOM 128 C GLY A 10 -3.250 1.820 -4.246 1.00 0.00 C ATOM 129 O GLY A 10 -3.616 2.896 -4.679 1.00 0.00 O ATOM 0 H GLY A 10 -1.671 2.417 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.103 1.698 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.763 0.673 -3.181 1.00 0.00 H new ATOM 133 N THR A 11 -3.988 0.740 -4.253 1.00 0.00 N ATOM 134 CA THR A 11 -5.378 0.752 -4.808 1.00 0.00 C ATOM 135 C THR A 11 -6.312 -0.135 -3.985 1.00 0.00 C ATOM 136 O THR A 11 -6.202 -1.345 -4.011 1.00 0.00 O ATOM 137 CB THR A 11 -5.334 0.262 -6.276 1.00 0.00 C ATOM 138 OG1 THR A 11 -4.508 1.208 -6.939 1.00 0.00 O ATOM 139 CG2 THR A 11 -6.704 0.418 -6.966 1.00 0.00 C ATOM 0 H THR A 11 -3.683 -0.164 -3.892 1.00 0.00 H new ATOM 0 HA THR A 11 -5.767 1.769 -4.764 1.00 0.00 H new ATOM 0 HB THR A 11 -5.012 -0.779 -6.308 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.568 0.953 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.636 0.064 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.450 -0.168 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.996 1.468 -6.962 1.00 0.00 H new ATOM 147 N LYS A 12 -7.205 0.513 -3.278 1.00 0.00 N ATOM 148 CA LYS A 12 -8.203 -0.201 -2.419 1.00 0.00 C ATOM 149 C LYS A 12 -8.883 -1.337 -3.187 1.00 0.00 C ATOM 150 O LYS A 12 -9.710 -1.106 -4.049 1.00 0.00 O ATOM 151 CB LYS A 12 -9.269 0.803 -1.932 1.00 0.00 C ATOM 152 CG LYS A 12 -8.804 1.436 -0.604 1.00 0.00 C ATOM 153 CD LYS A 12 -9.954 2.243 0.037 1.00 0.00 C ATOM 154 CE LYS A 12 -11.012 1.305 0.663 1.00 0.00 C ATOM 155 NZ LYS A 12 -12.150 1.097 -0.281 1.00 0.00 N ATOM 0 H LYS A 12 -7.286 1.530 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.677 -0.633 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.425 1.578 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.224 0.297 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.472 0.656 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.949 2.088 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.553 2.907 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.424 2.874 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.556 0.346 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.379 1.733 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.048 1.151 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.131 1.834 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.064 0.162 -0.727 1.00 0.00 H new ATOM 169 N GLY A 13 -8.489 -2.532 -2.831 1.00 0.00 N ATOM 170 CA GLY A 13 -9.053 -3.753 -3.480 1.00 0.00 C ATOM 171 C GLY A 13 -7.967 -4.711 -3.972 1.00 0.00 C ATOM 172 O GLY A 13 -8.215 -5.898 -4.052 1.00 0.00 O ATOM 0 H GLY A 13 -7.792 -2.716 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.697 -4.273 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.680 -3.457 -4.321 1.00 0.00 H new ATOM 176 N CYS A 14 -6.803 -4.192 -4.289 1.00 0.00 N ATOM 177 CA CYS A 14 -5.695 -5.070 -4.780 1.00 0.00 C ATOM 178 C CYS A 14 -4.577 -5.168 -3.744 1.00 0.00 C ATOM 179 O CYS A 14 -4.160 -4.178 -3.175 1.00 0.00 O ATOM 180 CB CYS A 14 -5.170 -4.487 -6.092 1.00 0.00 C ATOM 181 SG CYS A 14 -6.335 -4.501 -7.479 1.00 0.00 S ATOM 0 H CYS A 14 -6.574 -3.200 -4.229 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.069 -6.080 -4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.860 -3.458 -5.912 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.279 -5.042 -6.384 1.00 0.00 H new ATOM 186 N LYS A 15 -4.135 -6.383 -3.539 1.00 0.00 N ATOM 187 CA LYS A 15 -3.044 -6.661 -2.559 1.00 0.00 C ATOM 188 C LYS A 15 -1.689 -6.338 -3.196 1.00 0.00 C ATOM 189 O LYS A 15 -1.176 -7.120 -3.970 1.00 0.00 O ATOM 190 CB LYS A 15 -3.128 -8.148 -2.160 1.00 0.00 C ATOM 191 CG LYS A 15 -4.530 -8.440 -1.574 1.00 0.00 C ATOM 192 CD LYS A 15 -4.439 -9.575 -0.538 1.00 0.00 C ATOM 193 CE LYS A 15 -5.745 -9.621 0.269 1.00 0.00 C ATOM 194 NZ LYS A 15 -5.916 -10.973 0.872 1.00 0.00 N ATOM 0 H LYS A 15 -4.492 -7.209 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.153 -6.041 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.945 -8.781 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.358 -8.384 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.933 -7.541 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.217 -8.719 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.272 -10.529 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.591 -9.411 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.727 -8.863 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.592 -9.391 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.801 -11.000 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.952 -11.688 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.114 -11.176 1.503 1.00 0.00 H new ATOM 208 N TYR A 16 -1.149 -5.193 -2.852 1.00 0.00 N ATOM 209 CA TYR A 16 0.174 -4.788 -3.423 1.00 0.00 C ATOM 210 C TYR A 16 1.213 -5.814 -2.971 1.00 0.00 C ATOM 211 O TYR A 16 1.454 -6.002 -1.798 1.00 0.00 O ATOM 212 CB TYR A 16 0.519 -3.365 -2.918 1.00 0.00 C ATOM 213 CG TYR A 16 -0.096 -2.362 -3.905 1.00 0.00 C ATOM 214 CD1 TYR A 16 -1.452 -2.377 -4.179 1.00 0.00 C ATOM 215 CD2 TYR A 16 0.701 -1.437 -4.543 1.00 0.00 C ATOM 216 CE1 TYR A 16 -1.999 -1.486 -5.074 1.00 0.00 C ATOM 217 CE2 TYR A 16 0.156 -0.549 -5.438 1.00 0.00 C ATOM 218 CZ TYR A 16 -1.195 -0.565 -5.711 1.00 0.00 C ATOM 219 OH TYR A 16 -1.725 0.335 -6.612 1.00 0.00 O ATOM 0 H TYR A 16 -1.565 -4.525 -2.204 1.00 0.00 H new ATOM 0 HA TYR A 16 0.154 -4.763 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.122 -3.208 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.599 -3.231 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.089 -3.096 -3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.761 -1.410 -4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.059 -1.508 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.793 0.169 -5.933 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.196 1.160 -6.600 1.00 0.00 H new ATOM 229 N PHE A 17 1.793 -6.446 -3.950 1.00 0.00 N ATOM 230 CA PHE A 17 2.822 -7.493 -3.726 1.00 0.00 C ATOM 231 C PHE A 17 4.080 -7.258 -4.567 1.00 0.00 C ATOM 232 O PHE A 17 4.054 -6.579 -5.576 1.00 0.00 O ATOM 233 CB PHE A 17 2.058 -8.806 -4.033 1.00 0.00 C ATOM 234 CG PHE A 17 2.907 -9.932 -4.620 1.00 0.00 C ATOM 235 CD1 PHE A 17 3.389 -9.817 -5.908 1.00 0.00 C ATOM 236 CD2 PHE A 17 3.190 -11.066 -3.890 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.143 -10.822 -6.456 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.945 -12.075 -4.438 1.00 0.00 C ATOM 239 CZ PHE A 17 4.423 -11.952 -5.727 1.00 0.00 C ATOM 0 H PHE A 17 1.586 -6.271 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 17 3.232 -7.506 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.597 -9.163 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.249 -8.582 -4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.171 -8.931 -6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.816 -11.162 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.518 -10.725 -7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.164 -12.962 -3.862 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.016 -12.743 -6.162 1.00 0.00 H new ATOM 249 N SER A 18 5.143 -7.863 -4.096 1.00 0.00 N ATOM 250 CA SER A 18 6.475 -7.763 -4.758 1.00 0.00 C ATOM 251 C SER A 18 6.809 -9.043 -5.536 1.00 0.00 C ATOM 252 O SER A 18 6.728 -10.139 -5.009 1.00 0.00 O ATOM 253 CB SER A 18 7.548 -7.514 -3.681 1.00 0.00 C ATOM 254 OG SER A 18 8.786 -7.753 -4.342 1.00 0.00 O ATOM 0 H SER A 18 5.138 -8.439 -3.254 1.00 0.00 H new ATOM 0 HA SER A 18 6.452 -6.937 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.494 -6.495 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.418 -8.183 -2.830 1.00 0.00 H new ATOM 0 HG SER A 18 9.056 -6.948 -4.832 1.00 0.00 H new ATOM 260 N ASP A 19 7.192 -8.810 -6.766 1.00 0.00 N ATOM 261 CA ASP A 19 7.575 -9.885 -7.737 1.00 0.00 C ATOM 262 C ASP A 19 8.516 -10.957 -7.171 1.00 0.00 C ATOM 263 O ASP A 19 8.583 -12.042 -7.715 1.00 0.00 O ATOM 264 CB ASP A 19 8.259 -9.237 -8.968 1.00 0.00 C ATOM 265 CG ASP A 19 9.275 -8.129 -8.582 1.00 0.00 C ATOM 266 OD1 ASP A 19 9.837 -8.195 -7.500 1.00 0.00 O ATOM 267 OD2 ASP A 19 9.434 -7.256 -9.421 1.00 0.00 O ATOM 0 H ASP A 19 7.258 -7.870 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 19 6.646 -10.393 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.772 -10.010 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.495 -8.812 -9.619 1.00 0.00 H new ATOM 272 N ASP A 20 9.207 -10.630 -6.107 1.00 0.00 N ATOM 273 CA ASP A 20 10.154 -11.607 -5.480 1.00 0.00 C ATOM 274 C ASP A 20 9.432 -12.923 -5.134 1.00 0.00 C ATOM 275 O ASP A 20 10.027 -13.983 -5.133 1.00 0.00 O ATOM 276 CB ASP A 20 10.741 -10.965 -4.205 1.00 0.00 C ATOM 277 CG ASP A 20 9.719 -11.061 -3.056 1.00 0.00 C ATOM 278 OD1 ASP A 20 8.766 -10.304 -3.105 1.00 0.00 O ATOM 279 OD2 ASP A 20 9.942 -11.893 -2.193 1.00 0.00 O ATOM 0 H ASP A 20 9.156 -9.723 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 20 10.954 -11.844 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.666 -11.470 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.992 -9.921 -4.395 1.00 0.00 H new ATOM 284 N GLY A 21 8.161 -12.779 -4.852 1.00 0.00 N ATOM 285 CA GLY A 21 7.290 -13.930 -4.491 1.00 0.00 C ATOM 286 C GLY A 21 6.765 -13.701 -3.076 1.00 0.00 C ATOM 287 O GLY A 21 6.545 -14.653 -2.353 1.00 0.00 O ATOM 0 H GLY A 21 7.680 -11.880 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.462 -14.017 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.851 -14.863 -4.543 1.00 0.00 H new ATOM 291 N THR A 22 6.580 -12.450 -2.715 1.00 0.00 N ATOM 292 CA THR A 22 6.069 -12.136 -1.346 1.00 0.00 C ATOM 293 C THR A 22 5.132 -10.927 -1.359 1.00 0.00 C ATOM 294 O THR A 22 5.352 -9.956 -2.054 1.00 0.00 O ATOM 295 CB THR A 22 7.261 -11.849 -0.434 1.00 0.00 C ATOM 296 OG1 THR A 22 7.978 -13.073 -0.358 1.00 0.00 O ATOM 297 CG2 THR A 22 6.840 -11.559 1.020 1.00 0.00 C ATOM 0 H THR A 22 6.761 -11.640 -3.308 1.00 0.00 H new ATOM 0 HA THR A 22 5.501 -12.992 -0.981 1.00 0.00 H new ATOM 0 HB THR A 22 7.806 -10.993 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.789 -13.012 -0.905 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.726 -11.362 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.185 -10.688 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.310 -12.422 1.424 1.00 0.00 H new ATOM 305 N PHE A 23 4.097 -11.038 -0.568 1.00 0.00 N ATOM 306 CA PHE A 23 3.084 -9.953 -0.453 1.00 0.00 C ATOM 307 C PHE A 23 3.707 -8.819 0.374 1.00 0.00 C ATOM 308 O PHE A 23 4.333 -9.057 1.389 1.00 0.00 O ATOM 309 CB PHE A 23 1.860 -10.586 0.208 1.00 0.00 C ATOM 310 CG PHE A 23 0.861 -9.534 0.713 1.00 0.00 C ATOM 311 CD1 PHE A 23 0.282 -8.631 -0.161 1.00 0.00 C ATOM 312 CD2 PHE A 23 0.526 -9.483 2.054 1.00 0.00 C ATOM 313 CE1 PHE A 23 -0.616 -7.698 0.303 1.00 0.00 C ATOM 314 CE2 PHE A 23 -0.374 -8.548 2.516 1.00 0.00 C ATOM 315 CZ PHE A 23 -0.944 -7.655 1.639 1.00 0.00 C ATOM 0 H PHE A 23 3.910 -11.854 0.015 1.00 0.00 H new ATOM 0 HA PHE A 23 2.780 -9.522 -1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.363 -11.243 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.182 -11.209 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.536 -8.659 -1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.974 -10.182 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.066 -6.996 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.631 -8.516 3.564 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.649 -6.920 1.999 1.00 0.00 H new ATOM 325 N VAL A 24 3.506 -7.617 -0.099 1.00 0.00 N ATOM 326 CA VAL A 24 4.050 -6.402 0.577 1.00 0.00 C ATOM 327 C VAL A 24 3.011 -5.865 1.572 1.00 0.00 C ATOM 328 O VAL A 24 3.245 -5.833 2.765 1.00 0.00 O ATOM 329 CB VAL A 24 4.391 -5.382 -0.553 1.00 0.00 C ATOM 330 CG1 VAL A 24 4.999 -4.107 0.024 1.00 0.00 C ATOM 331 CG2 VAL A 24 5.413 -6.004 -1.537 1.00 0.00 C ATOM 0 H VAL A 24 2.974 -7.422 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 24 4.950 -6.610 1.156 1.00 0.00 H new ATOM 0 HB VAL A 24 3.463 -5.139 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.227 -3.414 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.290 -3.644 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.915 -4.352 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.645 -5.285 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.325 -6.262 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.988 -6.904 -1.982 1.00 0.00 H new ATOM 341 N CYS A 25 1.892 -5.465 1.026 1.00 0.00 N ATOM 342 CA CYS A 25 0.750 -4.913 1.819 1.00 0.00 C ATOM 343 C CYS A 25 -0.423 -4.635 0.882 1.00 0.00 C ATOM 344 O CYS A 25 -0.291 -4.724 -0.320 1.00 0.00 O ATOM 345 CB CYS A 25 1.127 -3.601 2.522 1.00 0.00 C ATOM 346 SG CYS A 25 0.250 -2.075 2.095 1.00 0.00 S ATOM 0 H CYS A 25 1.716 -5.500 0.022 1.00 0.00 H new ATOM 0 HA CYS A 25 0.484 -5.650 2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.005 -3.758 3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.188 -3.428 2.344 1.00 0.00 H new ATOM 351 N GLU A 26 -1.546 -4.304 1.457 1.00 0.00 N ATOM 352 CA GLU A 26 -2.757 -4.016 0.630 1.00 0.00 C ATOM 353 C GLU A 26 -2.867 -2.541 0.252 1.00 0.00 C ATOM 354 O GLU A 26 -2.416 -1.672 0.972 1.00 0.00 O ATOM 355 CB GLU A 26 -3.998 -4.440 1.425 1.00 0.00 C ATOM 356 CG GLU A 26 -4.312 -5.937 1.174 1.00 0.00 C ATOM 357 CD GLU A 26 -4.747 -6.605 2.489 1.00 0.00 C ATOM 358 OE1 GLU A 26 -5.894 -6.393 2.849 1.00 0.00 O ATOM 359 OE2 GLU A 26 -3.912 -7.288 3.061 1.00 0.00 O ATOM 0 H GLU A 26 -1.680 -4.220 2.465 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.677 -4.577 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.833 -4.270 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.852 -3.828 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.101 -6.033 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.432 -6.440 0.773 1.00 0.00 H new ATOM 366 N GLY A 27 -3.471 -2.318 -0.888 1.00 0.00 N ATOM 367 CA GLY A 27 -3.666 -0.931 -1.396 1.00 0.00 C ATOM 368 C GLY A 27 -4.724 -0.296 -0.493 1.00 0.00 C ATOM 369 O GLY A 27 -5.797 -0.849 -0.359 1.00 0.00 O ATOM 0 H GLY A 27 -3.841 -3.050 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.734 -0.368 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.994 -0.939 -2.435 1.00 0.00 H new ATOM 373 N GLU A 28 -4.401 0.827 0.099 1.00 0.00 N ATOM 374 CA GLU A 28 -5.373 1.523 1.009 1.00 0.00 C ATOM 375 C GLU A 28 -5.913 2.845 0.438 1.00 0.00 C ATOM 376 O GLU A 28 -6.777 3.455 1.040 1.00 0.00 O ATOM 377 CB GLU A 28 -4.686 1.820 2.369 1.00 0.00 C ATOM 378 CG GLU A 28 -3.852 0.618 2.874 1.00 0.00 C ATOM 379 CD GLU A 28 -4.778 -0.571 3.203 1.00 0.00 C ATOM 380 OE1 GLU A 28 -5.337 -0.535 4.288 1.00 0.00 O ATOM 381 OE2 GLU A 28 -4.877 -1.446 2.361 1.00 0.00 O ATOM 0 H GLU A 28 -3.502 1.297 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.221 0.848 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.040 2.691 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.444 2.072 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.127 0.325 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.287 0.905 3.761 1.00 0.00 H new ATOM 388 N SER A 29 -5.403 3.256 -0.696 1.00 0.00 N ATOM 389 CA SER A 29 -5.870 4.534 -1.321 1.00 0.00 C ATOM 390 C SER A 29 -7.117 4.247 -2.160 1.00 0.00 C ATOM 391 O SER A 29 -7.076 3.411 -3.040 1.00 0.00 O ATOM 392 CB SER A 29 -4.721 5.092 -2.197 1.00 0.00 C ATOM 393 OG SER A 29 -5.310 5.949 -3.171 1.00 0.00 O ATOM 0 H SER A 29 -4.681 2.760 -1.218 1.00 0.00 H new ATOM 0 HA SER A 29 -6.130 5.274 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.003 5.640 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.176 4.280 -2.679 1.00 0.00 H new ATOM 0 HG SER A 29 -5.955 6.545 -2.735 1.00 0.00 H new ATOM 399 N ASP A 30 -8.190 4.937 -1.864 1.00 0.00 N ATOM 400 CA ASP A 30 -9.446 4.721 -2.638 1.00 0.00 C ATOM 401 C ASP A 30 -9.285 5.514 -3.940 1.00 0.00 C ATOM 402 O ASP A 30 -8.987 6.686 -3.840 1.00 0.00 O ATOM 403 CB ASP A 30 -10.653 5.264 -1.861 1.00 0.00 C ATOM 404 CG ASP A 30 -11.931 4.710 -2.517 1.00 0.00 C ATOM 405 OD1 ASP A 30 -12.404 5.364 -3.433 1.00 0.00 O ATOM 406 OD2 ASP A 30 -12.349 3.660 -2.057 1.00 0.00 O ATOM 0 H ASP A 30 -8.249 5.636 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.614 3.660 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.600 4.962 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.658 6.354 -1.878 1.00 0.00 H new ATOM 411 N PRO A 31 -9.472 4.904 -5.096 1.00 0.00 N ATOM 412 CA PRO A 31 -9.366 5.627 -6.395 1.00 0.00 C ATOM 413 C PRO A 31 -10.378 6.790 -6.440 1.00 0.00 C ATOM 414 O PRO A 31 -11.468 6.675 -6.965 1.00 0.00 O ATOM 415 CB PRO A 31 -9.616 4.558 -7.481 1.00 0.00 C ATOM 416 CG PRO A 31 -9.948 3.225 -6.752 1.00 0.00 C ATOM 417 CD PRO A 31 -9.804 3.460 -5.238 1.00 0.00 C ATOM 0 HA PRO A 31 -8.392 6.091 -6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.439 4.856 -8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.737 4.441 -8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.961 2.902 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.274 2.434 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.727 3.215 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.020 2.832 -4.815 1.00 0.00 H new ATOM 425 N ARG A 32 -9.940 7.882 -5.863 1.00 0.00 N ATOM 426 CA ARG A 32 -10.725 9.149 -5.765 1.00 0.00 C ATOM 427 C ARG A 32 -9.905 10.152 -4.938 1.00 0.00 C ATOM 428 O ARG A 32 -9.869 11.327 -5.251 1.00 0.00 O ATOM 429 CB ARG A 32 -12.079 8.889 -5.048 1.00 0.00 C ATOM 430 CG ARG A 32 -13.231 8.922 -6.066 1.00 0.00 C ATOM 431 CD ARG A 32 -13.737 10.364 -6.245 1.00 0.00 C ATOM 432 NE ARG A 32 -14.915 10.332 -7.163 1.00 0.00 N ATOM 433 CZ ARG A 32 -14.759 10.548 -8.443 1.00 0.00 C ATOM 434 NH1 ARG A 32 -14.090 9.686 -9.158 1.00 0.00 N ATOM 435 NH2 ARG A 32 -15.280 11.624 -8.963 1.00 0.00 N ATOM 0 H ARG A 32 -9.017 7.946 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.926 9.537 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.054 7.921 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.242 9.643 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.892 8.526 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.045 8.282 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.016 10.792 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.950 10.995 -6.658 1.00 0.00 H new ATOM 0 HE ARG A 32 -15.845 10.141 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.696 8.855 -8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.961 9.843 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.797 12.277 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.171 11.813 -9.959 1.00 0.00 H new ATOM 449 N ASN A 33 -9.271 9.644 -3.907 1.00 0.00 N ATOM 450 CA ASN A 33 -8.436 10.498 -3.008 1.00 0.00 C ATOM 451 C ASN A 33 -6.974 10.537 -3.488 1.00 0.00 C ATOM 452 O ASN A 33 -6.505 9.573 -4.060 1.00 0.00 O ATOM 453 CB ASN A 33 -8.481 9.946 -1.557 1.00 0.00 C ATOM 454 CG ASN A 33 -8.245 8.427 -1.477 1.00 0.00 C ATOM 455 OD1 ASN A 33 -7.327 7.874 -2.049 1.00 0.00 O ATOM 456 ND2 ASN A 33 -9.065 7.711 -0.760 1.00 0.00 N ATOM 0 H ASN A 33 -9.299 8.658 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.842 11.509 -3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.727 10.456 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.450 10.180 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.930 6.703 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.841 8.159 -0.273 1.00 0.00 H new ATOM 463 N PRO A 34 -6.294 11.638 -3.252 1.00 0.00 N ATOM 464 CA PRO A 34 -4.810 11.687 -3.298 1.00 0.00 C ATOM 465 C PRO A 34 -4.217 11.109 -1.994 1.00 0.00 C ATOM 466 O PRO A 34 -3.334 11.695 -1.395 1.00 0.00 O ATOM 467 CB PRO A 34 -4.480 13.170 -3.515 1.00 0.00 C ATOM 468 CG PRO A 34 -5.729 13.960 -3.018 1.00 0.00 C ATOM 469 CD PRO A 34 -6.902 12.957 -2.930 1.00 0.00 C ATOM 0 HA PRO A 34 -4.376 11.081 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.588 13.458 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.280 13.376 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.536 14.412 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.968 14.772 -3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.348 12.955 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.694 13.211 -3.634 1.00 0.00 H new ATOM 477 N LYS A 35 -4.720 9.967 -1.592 1.00 0.00 N ATOM 478 CA LYS A 35 -4.218 9.322 -0.340 1.00 0.00 C ATOM 479 C LYS A 35 -2.821 8.754 -0.612 1.00 0.00 C ATOM 480 O LYS A 35 -2.670 7.811 -1.364 1.00 0.00 O ATOM 481 CB LYS A 35 -5.196 8.196 0.073 1.00 0.00 C ATOM 482 CG LYS A 35 -4.762 7.551 1.415 1.00 0.00 C ATOM 483 CD LYS A 35 -5.135 8.477 2.608 1.00 0.00 C ATOM 484 CE LYS A 35 -6.250 7.832 3.448 1.00 0.00 C ATOM 485 NZ LYS A 35 -6.592 8.717 4.597 1.00 0.00 N ATOM 0 H LYS A 35 -5.456 9.454 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.157 10.046 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.204 8.601 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.231 7.435 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.247 6.582 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.687 7.371 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.257 8.654 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.464 9.447 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.133 7.665 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.926 6.857 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.346 8.277 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.750 8.855 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.919 9.638 4.241 1.00 0.00 H new ATOM 499 N ALA A 36 -1.844 9.362 0.013 1.00 0.00 N ATOM 500 CA ALA A 36 -0.433 8.913 -0.161 1.00 0.00 C ATOM 501 C ALA A 36 0.416 9.305 1.053 1.00 0.00 C ATOM 502 O ALA A 36 0.711 10.465 1.270 1.00 0.00 O ATOM 503 CB ALA A 36 0.139 9.557 -1.437 1.00 0.00 C ATOM 0 H ALA A 36 -1.967 10.156 0.641 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.410 7.827 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.171 9.236 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.455 9.249 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.106 10.642 -1.343 1.00 0.00 H new ATOM 509 N CYS A 37 0.776 8.299 1.806 1.00 0.00 N ATOM 510 CA CYS A 37 1.607 8.491 3.029 1.00 0.00 C ATOM 511 C CYS A 37 3.099 8.662 2.648 1.00 0.00 C ATOM 512 O CYS A 37 3.754 9.518 3.212 1.00 0.00 O ATOM 513 CB CYS A 37 1.460 7.262 3.982 1.00 0.00 C ATOM 514 SG CYS A 37 -0.108 6.355 4.089 1.00 0.00 S ATOM 0 H CYS A 37 0.522 7.329 1.619 1.00 0.00 H new ATOM 0 HA CYS A 37 1.259 9.390 3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.228 6.542 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.701 7.606 4.988 1.00 0.00 H new ATOM 519 N PRO A 38 3.604 7.870 1.720 1.00 0.00 N ATOM 520 CA PRO A 38 5.006 7.997 1.240 1.00 0.00 C ATOM 521 C PRO A 38 5.166 9.246 0.359 1.00 0.00 C ATOM 522 O PRO A 38 4.238 10.014 0.191 1.00 0.00 O ATOM 523 CB PRO A 38 5.300 6.696 0.474 1.00 0.00 C ATOM 524 CG PRO A 38 3.940 5.965 0.289 1.00 0.00 C ATOM 525 CD PRO A 38 2.869 6.770 1.043 1.00 0.00 C ATOM 0 HA PRO A 38 5.714 8.127 2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.757 6.911 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.002 6.072 1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.687 5.890 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.997 4.948 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.118 7.163 0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.345 6.145 1.766 1.00 0.00 H new ATOM 533 N ARG A 39 6.351 9.403 -0.174 1.00 0.00 N ATOM 534 CA ARG A 39 6.661 10.571 -1.057 1.00 0.00 C ATOM 535 C ARG A 39 7.515 10.131 -2.253 1.00 0.00 C ATOM 536 O ARG A 39 7.838 10.954 -3.086 1.00 0.00 O ATOM 537 CB ARG A 39 7.426 11.638 -0.233 1.00 0.00 C ATOM 538 CG ARG A 39 7.349 13.029 -0.930 1.00 0.00 C ATOM 539 CD ARG A 39 8.735 13.450 -1.472 1.00 0.00 C ATOM 540 NE ARG A 39 8.570 14.739 -2.215 1.00 0.00 N ATOM 541 CZ ARG A 39 8.440 14.792 -3.519 1.00 0.00 C ATOM 542 NH1 ARG A 39 8.152 13.727 -4.221 1.00 0.00 N ATOM 543 NH2 ARG A 39 8.606 15.949 -4.099 1.00 0.00 N ATOM 0 H ARG A 39 7.131 8.761 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 39 5.729 10.990 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.002 11.704 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.468 11.339 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.630 12.991 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.988 13.776 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.444 13.571 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.137 12.680 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 39 8.558 15.611 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.023 12.829 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.056 13.795 -5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.829 16.772 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.513 16.030 -5.112 1.00 0.00 H new ATOM 557 N ASN A 40 7.848 8.863 -2.301 1.00 0.00 N ATOM 558 CA ASN A 40 8.686 8.327 -3.420 1.00 0.00 C ATOM 559 C ASN A 40 8.036 7.135 -4.140 1.00 0.00 C ATOM 560 O ASN A 40 6.873 6.834 -3.958 1.00 0.00 O ATOM 561 CB ASN A 40 10.056 7.929 -2.821 1.00 0.00 C ATOM 562 CG ASN A 40 10.608 9.103 -1.998 1.00 0.00 C ATOM 563 OD1 ASN A 40 11.331 9.945 -2.492 1.00 0.00 O ATOM 564 ND2 ASN A 40 10.284 9.195 -0.737 1.00 0.00 N ATOM 0 H ASN A 40 7.572 8.170 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 40 8.797 9.099 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.948 7.046 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.753 7.668 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.637 9.969 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.677 8.493 -0.314 1.00 0.00 H new ATOM 571 N CYS A 41 8.841 6.495 -4.949 1.00 0.00 N ATOM 572 CA CYS A 41 8.424 5.305 -5.755 1.00 0.00 C ATOM 573 C CYS A 41 8.690 3.998 -4.988 1.00 0.00 C ATOM 574 O CYS A 41 9.577 3.969 -4.155 1.00 0.00 O ATOM 575 CB CYS A 41 9.230 5.365 -7.059 1.00 0.00 C ATOM 576 SG CYS A 41 8.817 6.725 -8.181 1.00 0.00 S ATOM 0 H CYS A 41 9.815 6.762 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 41 7.354 5.322 -5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.288 5.436 -6.807 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.092 4.425 -7.593 1.00 0.00 H new ATOM 581 N ASP A 42 7.925 2.965 -5.276 1.00 0.00 N ATOM 582 CA ASP A 42 8.119 1.645 -4.585 1.00 0.00 C ATOM 583 C ASP A 42 8.605 0.558 -5.586 1.00 0.00 C ATOM 584 O ASP A 42 7.834 -0.291 -5.995 1.00 0.00 O ATOM 585 CB ASP A 42 6.775 1.232 -3.939 1.00 0.00 C ATOM 586 CG ASP A 42 7.002 0.184 -2.838 1.00 0.00 C ATOM 587 OD1 ASP A 42 7.547 -0.854 -3.178 1.00 0.00 O ATOM 588 OD2 ASP A 42 6.611 0.482 -1.721 1.00 0.00 O ATOM 0 H ASP A 42 7.172 2.981 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 42 8.886 1.743 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.283 2.109 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.108 0.828 -4.701 1.00 0.00 H new ATOM 593 N PRO A 43 9.873 0.604 -5.951 1.00 0.00 N ATOM 594 CA PRO A 43 10.457 -0.352 -6.930 1.00 0.00 C ATOM 595 C PRO A 43 10.307 -1.801 -6.455 1.00 0.00 C ATOM 596 O PRO A 43 10.255 -2.713 -7.256 1.00 0.00 O ATOM 597 CB PRO A 43 11.930 0.046 -7.094 1.00 0.00 C ATOM 598 CG PRO A 43 12.207 1.189 -6.082 1.00 0.00 C ATOM 599 CD PRO A 43 10.864 1.589 -5.444 1.00 0.00 C ATOM 0 HA PRO A 43 9.936 -0.303 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.583 -0.805 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.129 0.377 -8.113 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.910 0.860 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.660 2.043 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.923 1.561 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.585 2.605 -5.722 1.00 0.00 H new ATOM 607 N ARG A 44 10.241 -1.957 -5.154 1.00 0.00 N ATOM 608 CA ARG A 44 10.094 -3.315 -4.548 1.00 0.00 C ATOM 609 C ARG A 44 8.797 -3.960 -5.035 1.00 0.00 C ATOM 610 O ARG A 44 8.790 -5.118 -5.401 1.00 0.00 O ATOM 611 CB ARG A 44 10.057 -3.207 -3.010 1.00 0.00 C ATOM 612 CG ARG A 44 11.144 -2.228 -2.505 1.00 0.00 C ATOM 613 CD ARG A 44 11.510 -2.564 -1.043 1.00 0.00 C ATOM 614 NE ARG A 44 10.263 -2.619 -0.222 1.00 0.00 N ATOM 615 CZ ARG A 44 9.643 -1.515 0.098 1.00 0.00 C ATOM 616 NH1 ARG A 44 10.163 -0.737 1.006 1.00 0.00 N ATOM 617 NH2 ARG A 44 8.523 -1.230 -0.501 1.00 0.00 N ATOM 0 H ARG A 44 10.283 -1.192 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 44 10.945 -3.927 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.074 -2.864 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.212 -4.191 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.030 -2.296 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.782 -1.202 -2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.032 -3.520 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.189 -1.811 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 44 9.896 -3.519 0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.042 -0.994 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.691 0.129 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.146 -1.864 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.023 -0.373 -0.266 1.00 0.00 H new ATOM 631 N ILE A 45 7.742 -3.183 -5.020 1.00 0.00 N ATOM 632 CA ILE A 45 6.413 -3.691 -5.472 1.00 0.00 C ATOM 633 C ILE A 45 6.485 -3.979 -6.972 1.00 0.00 C ATOM 634 O ILE A 45 7.295 -3.411 -7.680 1.00 0.00 O ATOM 635 CB ILE A 45 5.343 -2.601 -5.117 1.00 0.00 C ATOM 636 CG1 ILE A 45 4.827 -2.922 -3.688 1.00 0.00 C ATOM 637 CG2 ILE A 45 4.132 -2.612 -6.091 1.00 0.00 C ATOM 638 CD1 ILE A 45 4.332 -1.646 -2.966 1.00 0.00 C ATOM 0 H ILE A 45 7.747 -2.211 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 45 6.133 -4.621 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 45 5.807 -1.618 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.015 -3.647 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.625 -3.384 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.423 -1.838 -5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.480 -2.421 -7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.643 -3.585 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.978 -1.907 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.152 -0.933 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.517 -1.199 -3.535 1.00 0.00 H new ATOM 650 N ALA A 46 5.621 -4.865 -7.389 1.00 0.00 N ATOM 651 CA ALA A 46 5.561 -5.265 -8.825 1.00 0.00 C ATOM 652 C ALA A 46 4.138 -5.288 -9.377 1.00 0.00 C ATOM 653 O ALA A 46 3.898 -4.786 -10.458 1.00 0.00 O ATOM 654 CB ALA A 46 6.187 -6.649 -8.949 1.00 0.00 C ATOM 0 H ALA A 46 4.945 -5.335 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 46 6.105 -4.525 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.158 -6.970 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.222 -6.612 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.629 -7.357 -8.336 1.00 0.00 H new ATOM 660 N TYR A 47 3.237 -5.865 -8.619 1.00 0.00 N ATOM 661 CA TYR A 47 1.808 -5.946 -9.078 1.00 0.00 C ATOM 662 C TYR A 47 0.846 -5.969 -7.888 1.00 0.00 C ATOM 663 O TYR A 47 1.265 -6.016 -6.749 1.00 0.00 O ATOM 664 CB TYR A 47 1.568 -7.245 -9.935 1.00 0.00 C ATOM 665 CG TYR A 47 2.875 -7.921 -10.397 1.00 0.00 C ATOM 666 CD1 TYR A 47 3.515 -7.504 -11.550 1.00 0.00 C ATOM 667 CD2 TYR A 47 3.425 -8.958 -9.667 1.00 0.00 C ATOM 668 CE1 TYR A 47 4.683 -8.112 -11.964 1.00 0.00 C ATOM 669 CE2 TYR A 47 4.594 -9.564 -10.082 1.00 0.00 C ATOM 670 CZ TYR A 47 5.230 -9.145 -11.232 1.00 0.00 C ATOM 671 OH TYR A 47 6.397 -9.754 -11.645 1.00 0.00 O ATOM 0 H TYR A 47 3.424 -6.282 -7.707 1.00 0.00 H new ATOM 0 HA TYR A 47 1.617 -5.061 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.987 -7.957 -9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.970 -6.989 -10.810 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.097 -6.696 -12.132 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.937 -9.297 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.172 -7.777 -12.867 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.014 -10.372 -9.502 1.00 0.00 H new ATOM 0 HH TYR A 47 6.640 -10.461 -11.011 1.00 0.00 H new ATOM 681 N GLY A 48 -0.425 -5.936 -8.200 1.00 0.00 N ATOM 682 CA GLY A 48 -1.484 -5.955 -7.146 1.00 0.00 C ATOM 683 C GLY A 48 -2.351 -7.201 -7.340 1.00 0.00 C ATOM 684 O GLY A 48 -3.114 -7.280 -8.284 1.00 0.00 O ATOM 0 H GLY A 48 -0.779 -5.896 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.030 -5.962 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.096 -5.056 -7.210 1.00 0.00 H new ATOM 688 N ILE A 49 -2.206 -8.139 -6.437 1.00 0.00 N ATOM 689 CA ILE A 49 -2.994 -9.408 -6.506 1.00 0.00 C ATOM 690 C ILE A 49 -4.407 -9.123 -5.963 1.00 0.00 C ATOM 691 O ILE A 49 -4.670 -9.240 -4.782 1.00 0.00 O ATOM 692 CB ILE A 49 -2.262 -10.491 -5.652 1.00 0.00 C ATOM 693 CG1 ILE A 49 -0.770 -10.663 -6.097 1.00 0.00 C ATOM 694 CG2 ILE A 49 -3.009 -11.846 -5.757 1.00 0.00 C ATOM 695 CD1 ILE A 49 -0.645 -10.941 -7.612 1.00 0.00 C ATOM 0 H ILE A 49 -1.567 -8.078 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.079 -9.776 -7.529 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.264 -10.156 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.211 -9.761 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.318 -11.483 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.491 -12.595 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.028 -11.729 -5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.034 -12.168 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.407 -11.053 -7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.181 -11.857 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.072 -10.109 -8.171 1.00 0.00 H new ATOM 707 N CYS A 50 -5.275 -8.746 -6.869 1.00 0.00 N ATOM 708 CA CYS A 50 -6.692 -8.430 -6.507 1.00 0.00 C ATOM 709 C CYS A 50 -7.525 -9.734 -6.492 1.00 0.00 C ATOM 710 O CYS A 50 -7.142 -10.687 -7.143 1.00 0.00 O ATOM 711 CB CYS A 50 -7.250 -7.441 -7.553 1.00 0.00 C ATOM 712 SG CYS A 50 -6.084 -6.306 -8.354 1.00 0.00 S ATOM 0 H CYS A 50 -5.058 -8.642 -7.860 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.744 -7.980 -5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.741 -8.022 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.021 -6.842 -7.069 1.00 0.00 H new ATOM 717 N PRO A 51 -8.628 -9.758 -5.768 1.00 0.00 N ATOM 718 CA PRO A 51 -9.574 -10.908 -5.804 1.00 0.00 C ATOM 719 C PRO A 51 -10.121 -11.095 -7.225 1.00 0.00 C ATOM 720 O PRO A 51 -10.437 -12.197 -7.632 1.00 0.00 O ATOM 721 CB PRO A 51 -10.680 -10.581 -4.793 1.00 0.00 C ATOM 722 CG PRO A 51 -10.377 -9.167 -4.224 1.00 0.00 C ATOM 723 CD PRO A 51 -9.056 -8.673 -4.848 1.00 0.00 C ATOM 0 HA PRO A 51 -9.092 -11.849 -5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.658 -10.601 -5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.702 -11.321 -3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.190 -8.480 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.295 -9.203 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.201 -7.736 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.304 -8.488 -4.081 1.00 0.00 H new ATOM 731 N LEU A 52 -10.207 -9.993 -7.929 1.00 0.00 N ATOM 732 CA LEU A 52 -10.715 -9.998 -9.336 1.00 0.00 C ATOM 733 C LEU A 52 -9.537 -10.310 -10.284 1.00 0.00 C ATOM 734 O LEU A 52 -9.497 -9.864 -11.416 1.00 0.00 O ATOM 735 CB LEU A 52 -11.324 -8.601 -9.625 1.00 0.00 C ATOM 736 CG LEU A 52 -12.342 -8.681 -10.802 1.00 0.00 C ATOM 737 CD1 LEU A 52 -13.712 -9.175 -10.284 1.00 0.00 C ATOM 738 CD2 LEU A 52 -12.513 -7.277 -11.420 1.00 0.00 C ATOM 0 H LEU A 52 -9.941 -9.072 -7.580 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.483 -10.757 -9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.821 -8.223 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.530 -7.896 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.968 -9.378 -11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.417 -9.228 -11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.598 -10.164 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.088 -8.482 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.224 -7.327 -12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.884 -6.588 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.551 -6.923 -11.791 1.00 0.00 H new ATOM 750 N ALA A 53 -8.609 -11.080 -9.770 1.00 0.00 N ATOM 751 CA ALA A 53 -7.393 -11.491 -10.533 1.00 0.00 C ATOM 752 C ALA A 53 -6.891 -12.841 -9.981 1.00 0.00 C ATOM 753 O ALA A 53 -6.875 -12.969 -8.766 1.00 0.00 O ATOM 754 CB ALA A 53 -6.307 -10.406 -10.367 1.00 0.00 C ATOM 755 OXT ALA A 53 -6.550 -13.676 -10.804 1.00 0.00 O ATOM 0 H ALA A 53 -8.648 -11.452 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.626 -11.602 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.414 -10.697 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.679 -9.457 -10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.060 -10.297 -9.311 1.00 0.00 H new TER 761 ALA A 53