USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= -1.46 (180deg=-1.6!) USER MOD Single : A 12 MET CE :methyl 148:sc= -1.75 (180deg=-3.76) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 19 ASN : amide:sc= 1.15 K(o=1.2,f=-0.12) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0041) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.05 K(o=1.1,f=-0.28) USER MOD Single : A 37 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.15) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.4!) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0271 (180deg=-0.202) USER MOD Single : A 53 SER OG : rot -85:sc= 1.68 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= 0.876 (180deg=0.785) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0123) USER MOD Single : A 66 TYR OH : rot 87:sc= 1.05 USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= 0.912 (180deg=-1.14!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 0.555 (180deg=-2.43!) USER MOD Single : A 74 GLN : amide:sc= 1.17 K(o=1.2,f=-0.25) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.032 17.447 8.862 1.00 10.00 N ATOM 2 CA MET A 1 2.770 16.390 9.576 1.00 10.00 C ATOM 3 C MET A 1 3.114 15.289 8.579 1.00 10.00 C ATOM 4 O MET A 1 4.175 15.337 7.967 1.00 10.00 O ATOM 5 CB MET A 1 1.975 15.857 10.782 1.00 10.00 C ATOM 6 CG MET A 1 2.224 16.650 12.074 1.00 10.00 C ATOM 7 SD MET A 1 3.267 15.776 13.275 1.00 10.00 S ATOM 8 CE MET A 1 3.346 16.994 14.606 1.00 10.00 C ATOM 0 H1 MET A 1 1.788 18.209 9.526 1.00 10.00 H new ATOM 0 H2 MET A 1 2.626 17.830 8.099 1.00 10.00 H new ATOM 0 H3 MET A 1 1.161 17.049 8.456 1.00 10.00 H new ATOM 0 HA MET A 1 3.692 16.799 9.990 1.00 10.00 H new ATOM 0 HB2 MET A 1 0.911 15.884 10.547 1.00 10.00 H new ATOM 0 HB3 MET A 1 2.238 14.813 10.949 1.00 10.00 H new ATOM 0 HG2 MET A 1 2.694 17.601 11.822 1.00 10.00 H new ATOM 0 HG3 MET A 1 1.265 16.881 12.539 1.00 10.00 H new ATOM 0 HE1 MET A 1 3.954 16.603 15.421 1.00 10.00 H new ATOM 0 HE2 MET A 1 3.791 17.915 14.230 1.00 10.00 H new ATOM 0 HE3 MET A 1 2.340 17.200 14.971 1.00 10.00 H new ATOM 20 N THR A 2 2.201 14.340 8.388 1.00 10.00 N ATOM 21 CA THR A 2 2.350 13.265 7.426 1.00 10.00 C ATOM 22 C THR A 2 2.054 13.802 6.018 1.00 10.00 C ATOM 23 O THR A 2 1.633 14.953 5.876 1.00 10.00 O ATOM 24 CB THR A 2 1.404 12.141 7.878 1.00 10.00 C ATOM 25 OG1 THR A 2 0.079 12.632 7.919 1.00 10.00 O ATOM 26 CG2 THR A 2 1.745 11.683 9.299 1.00 10.00 C ATOM 0 H THR A 2 1.325 14.301 8.909 1.00 10.00 H new ATOM 0 HA THR A 2 3.363 12.865 7.381 1.00 10.00 H new ATOM 0 HB THR A 2 1.509 11.314 7.175 1.00 10.00 H new ATOM 0 HG1 THR A 2 -0.526 11.916 8.205 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.063 10.887 9.598 1.00 10.00 H new ATOM 0 HG22 THR A 2 2.770 11.312 9.326 1.00 10.00 H new ATOM 0 HG23 THR A 2 1.646 12.523 9.986 1.00 10.00 H new ATOM 34 N GLU A 3 2.257 12.976 4.992 1.00 10.00 N ATOM 35 CA GLU A 3 1.992 13.249 3.601 1.00 10.00 C ATOM 36 C GLU A 3 1.170 12.065 3.098 1.00 10.00 C ATOM 37 O GLU A 3 1.190 10.986 3.696 1.00 10.00 O ATOM 38 CB GLU A 3 3.323 13.413 2.848 1.00 10.00 C ATOM 39 CG GLU A 3 4.129 12.103 2.778 1.00 10.00 C ATOM 40 CD GLU A 3 5.617 12.299 2.510 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.141 13.370 2.888 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.222 11.336 1.995 1.00 10.00 O ATOM 0 H GLU A 3 2.636 12.040 5.132 1.00 10.00 H new ATOM 0 HA GLU A 3 1.440 14.176 3.444 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.123 13.767 1.837 1.00 10.00 H new ATOM 0 HB3 GLU A 3 3.923 14.178 3.340 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.008 11.564 3.718 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.710 11.473 1.994 1.00 10.00 H new ATOM 49 N LYS A 4 0.424 12.306 2.026 1.00 10.00 N ATOM 50 CA LYS A 4 -0.410 11.329 1.344 1.00 10.00 C ATOM 51 C LYS A 4 0.254 10.973 0.012 1.00 10.00 C ATOM 52 O LYS A 4 0.416 11.828 -0.858 1.00 10.00 O ATOM 53 CB LYS A 4 -1.837 11.860 1.153 1.00 10.00 C ATOM 54 CG LYS A 4 -2.393 12.504 2.439 1.00 10.00 C ATOM 55 CD LYS A 4 -3.918 12.370 2.623 1.00 10.00 C ATOM 56 CE LYS A 4 -4.765 13.399 1.862 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.466 13.382 0.426 1.00 10.00 N ATOM 0 H LYS A 4 0.384 13.228 1.591 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.499 10.426 1.949 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.845 12.594 0.347 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.489 11.043 0.846 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.897 12.053 3.298 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -2.133 13.562 2.440 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -4.219 11.371 2.306 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -4.147 12.450 3.686 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -5.823 13.188 2.017 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.577 14.395 2.263 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.991 14.145 -0.047 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -3.446 13.524 0.282 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.749 12.466 0.023 1.00 10.00 H new ATOM 71 N ALA A 5 0.643 9.708 -0.124 1.00 10.00 N ATOM 72 CA ALA A 5 1.342 9.141 -1.267 1.00 10.00 C ATOM 73 C ALA A 5 0.387 8.209 -1.999 1.00 10.00 C ATOM 74 O ALA A 5 -0.571 7.741 -1.383 1.00 10.00 O ATOM 75 CB ALA A 5 2.575 8.387 -0.771 1.00 10.00 C ATOM 0 H ALA A 5 0.468 9.015 0.603 1.00 10.00 H new ATOM 0 HA ALA A 5 1.670 9.922 -1.953 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.106 7.958 -1.621 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.234 9.075 -0.242 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.266 7.589 -0.096 1.00 10.00 H new ATOM 81 N GLU A 6 0.608 7.950 -3.294 1.00 10.00 N ATOM 82 CA GLU A 6 -0.364 7.261 -4.113 1.00 10.00 C ATOM 83 C GLU A 6 0.419 6.245 -4.920 1.00 10.00 C ATOM 84 O GLU A 6 1.466 6.589 -5.477 1.00 10.00 O ATOM 85 CB GLU A 6 -1.055 8.277 -5.020 1.00 10.00 C ATOM 86 CG GLU A 6 -2.376 7.756 -5.591 1.00 10.00 C ATOM 87 CD GLU A 6 -2.894 8.665 -6.698 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.718 9.896 -6.550 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.458 8.110 -7.666 1.00 10.00 O ATOM 0 H GLU A 6 1.460 8.214 -3.788 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.137 6.766 -3.525 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.243 9.192 -4.458 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.387 8.539 -5.841 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.234 6.748 -5.981 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.118 7.689 -4.795 1.00 10.00 H new ATOM 96 N PHE A 7 -0.072 5.010 -4.947 1.00 10.00 N ATOM 97 CA PHE A 7 0.570 3.881 -5.579 1.00 10.00 C ATOM 98 C PHE A 7 -0.436 3.097 -6.413 1.00 10.00 C ATOM 99 O PHE A 7 -1.602 2.991 -6.040 1.00 10.00 O ATOM 100 CB PHE A 7 1.182 2.970 -4.518 1.00 10.00 C ATOM 101 CG PHE A 7 1.954 3.652 -3.405 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.927 4.620 -3.707 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.784 3.245 -2.072 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.625 5.275 -2.685 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.515 3.872 -1.052 1.00 10.00 C ATOM 106 CZ PHE A 7 3.406 4.916 -1.347 1.00 10.00 C ATOM 0 H PHE A 7 -0.962 4.767 -4.511 1.00 10.00 H new ATOM 0 HA PHE A 7 1.358 4.250 -6.235 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.381 2.384 -4.068 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.850 2.267 -5.016 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.139 4.861 -4.738 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.092 2.451 -1.833 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.331 6.056 -2.927 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.391 3.548 -0.029 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.918 5.437 -0.552 1.00 10.00 H new ATOM 116 N ASP A 8 0.059 2.529 -7.511 1.00 10.00 N ATOM 117 CA ASP A 8 -0.619 1.697 -8.488 1.00 10.00 C ATOM 118 C ASP A 8 -0.476 0.295 -7.934 1.00 10.00 C ATOM 119 O ASP A 8 0.624 -0.012 -7.469 1.00 10.00 O ATOM 120 CB ASP A 8 0.208 1.763 -9.795 1.00 10.00 C ATOM 121 CG ASP A 8 -0.550 2.043 -11.076 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.797 2.098 -11.074 1.00 10.00 O ATOM 123 OD2 ASP A 8 0.125 2.438 -12.054 1.00 10.00 O ATOM 0 H ASP A 8 1.041 2.656 -7.757 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.653 1.989 -8.672 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.968 2.535 -9.676 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.732 0.815 -9.912 1.00 10.00 H new ATOM 128 N ILE A 9 -1.508 -0.543 -7.986 1.00 10.00 N ATOM 129 CA ILE A 9 -1.348 -1.969 -7.721 1.00 10.00 C ATOM 130 C ILE A 9 -1.832 -2.778 -8.922 1.00 10.00 C ATOM 131 O ILE A 9 -2.770 -2.365 -9.596 1.00 10.00 O ATOM 132 CB ILE A 9 -2.075 -2.400 -6.438 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.894 -1.434 -5.261 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.534 -3.740 -5.950 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.969 -0.360 -5.295 1.00 10.00 C ATOM 0 H ILE A 9 -2.462 -0.259 -8.209 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.287 -2.166 -7.564 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.128 -2.436 -6.719 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.946 -1.982 -4.320 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.907 -0.973 -5.307 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.057 -4.034 -5.040 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.689 -4.497 -6.719 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.468 -3.648 -5.742 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.830 0.320 -4.455 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -2.897 0.198 -6.229 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -3.952 -0.827 -5.226 1.00 10.00 H new ATOM 147 N GLU A 10 -1.203 -3.932 -9.160 1.00 10.00 N ATOM 148 CA GLU A 10 -1.709 -4.962 -10.050 1.00 10.00 C ATOM 149 C GLU A 10 -1.814 -6.282 -9.292 1.00 10.00 C ATOM 150 O GLU A 10 -0.809 -6.808 -8.798 1.00 10.00 O ATOM 151 CB GLU A 10 -0.771 -5.167 -11.234 1.00 10.00 C ATOM 152 CG GLU A 10 -0.734 -3.966 -12.185 1.00 10.00 C ATOM 153 CD GLU A 10 0.141 -4.260 -13.396 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.360 -4.441 -13.179 1.00 10.00 O ATOM 155 OE2 GLU A 10 -0.420 -4.316 -14.511 1.00 10.00 O ATOM 0 H GLU A 10 -0.311 -4.174 -8.728 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.686 -4.645 -10.414 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.236 -5.361 -10.863 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.083 -6.052 -11.788 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.745 -3.724 -12.512 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.352 -3.092 -11.659 1.00 10.00 H new ATOM 162 N GLY A 11 -3.025 -6.830 -9.279 1.00 10.00 N ATOM 163 CA GLY A 11 -3.332 -8.223 -8.999 1.00 10.00 C ATOM 164 C GLY A 11 -4.416 -8.416 -7.938 1.00 10.00 C ATOM 165 O GLY A 11 -4.738 -9.560 -7.615 1.00 10.00 O ATOM 0 H GLY A 11 -3.862 -6.281 -9.475 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.650 -8.708 -9.922 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.423 -8.727 -8.671 1.00 10.00 H new ATOM 169 N MET A 12 -5.001 -7.342 -7.392 1.00 10.00 N ATOM 170 CA MET A 12 -6.073 -7.489 -6.413 1.00 10.00 C ATOM 171 C MET A 12 -7.390 -7.831 -7.111 1.00 10.00 C ATOM 172 O MET A 12 -8.252 -6.983 -7.322 1.00 10.00 O ATOM 173 CB MET A 12 -6.163 -6.270 -5.490 1.00 10.00 C ATOM 174 CG MET A 12 -6.277 -4.929 -6.226 1.00 10.00 C ATOM 175 SD MET A 12 -6.435 -3.471 -5.178 1.00 10.00 S ATOM 176 CE MET A 12 -4.948 -3.756 -4.211 1.00 10.00 C ATOM 0 H MET A 12 -4.751 -6.377 -7.611 1.00 10.00 H new ATOM 0 HA MET A 12 -5.842 -8.329 -5.758 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.027 -6.387 -4.836 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.280 -6.247 -4.851 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.397 -4.806 -6.857 1.00 10.00 H new ATOM 0 HG3 MET A 12 -7.141 -4.972 -6.889 1.00 10.00 H new ATOM 0 HE1 MET A 12 -4.516 -2.799 -3.917 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.199 -4.330 -3.319 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.226 -4.312 -4.809 1.00 10.00 H new ATOM 186 N THR A 13 -7.576 -9.104 -7.446 1.00 10.00 N ATOM 187 CA THR A 13 -8.807 -9.585 -8.037 1.00 10.00 C ATOM 188 C THR A 13 -9.936 -9.526 -7.008 1.00 10.00 C ATOM 189 O THR A 13 -11.094 -9.345 -7.387 1.00 10.00 O ATOM 190 CB THR A 13 -8.578 -11.007 -8.558 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.930 -11.764 -7.554 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.685 -10.986 -9.802 1.00 10.00 C ATOM 0 H THR A 13 -6.871 -9.829 -7.312 1.00 10.00 H new ATOM 0 HA THR A 13 -9.103 -8.954 -8.875 1.00 10.00 H new ATOM 0 HB THR A 13 -9.542 -11.447 -8.815 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.781 -12.677 -7.878 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.533 -12.005 -10.158 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.164 -10.396 -10.584 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.722 -10.542 -9.551 1.00 10.00 H new ATOM 200 N CYS A 14 -9.607 -9.685 -5.719 1.00 10.00 N ATOM 201 CA CYS A 14 -10.564 -9.720 -4.630 1.00 10.00 C ATOM 202 C CYS A 14 -10.350 -8.560 -3.653 1.00 10.00 C ATOM 203 O CYS A 14 -9.224 -8.193 -3.319 1.00 10.00 O ATOM 204 CB CYS A 14 -10.476 -11.083 -3.931 1.00 10.00 C ATOM 205 SG CYS A 14 -8.834 -11.530 -3.303 1.00 10.00 S ATOM 0 H CYS A 14 -8.642 -9.795 -5.408 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.569 -9.595 -5.032 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.180 -11.092 -3.099 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.801 -11.853 -4.631 1.00 10.00 H new ATOM 210 N ALA A 15 -11.440 -8.014 -3.112 1.00 10.00 N ATOM 211 CA ALA A 15 -11.348 -7.032 -2.037 1.00 10.00 C ATOM 212 C ALA A 15 -10.596 -7.616 -0.830 1.00 10.00 C ATOM 213 O ALA A 15 -9.967 -6.892 -0.060 1.00 10.00 O ATOM 214 CB ALA A 15 -12.749 -6.559 -1.650 1.00 10.00 C ATOM 0 H ALA A 15 -12.393 -8.236 -3.401 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.779 -6.170 -2.386 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.677 -5.826 -0.847 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.231 -6.103 -2.515 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.340 -7.410 -1.312 1.00 10.00 H new ATOM 220 N ALA A 16 -10.641 -8.941 -0.672 1.00 10.00 N ATOM 221 CA ALA A 16 -9.924 -9.661 0.367 1.00 10.00 C ATOM 222 C ALA A 16 -8.400 -9.607 0.181 1.00 10.00 C ATOM 223 O ALA A 16 -7.672 -9.883 1.140 1.00 10.00 O ATOM 224 CB ALA A 16 -10.431 -11.103 0.408 1.00 10.00 C ATOM 0 H ALA A 16 -11.190 -9.550 -1.279 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.121 -9.174 1.322 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.900 -11.653 1.184 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.499 -11.107 0.626 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -10.256 -11.578 -0.557 1.00 10.00 H new ATOM 230 N CYS A 17 -7.917 -9.301 -1.029 1.00 10.00 N ATOM 231 CA CYS A 17 -6.518 -9.000 -1.308 1.00 10.00 C ATOM 232 C CYS A 17 -6.233 -7.555 -0.923 1.00 10.00 C ATOM 233 O CYS A 17 -5.274 -7.280 -0.197 1.00 10.00 O ATOM 234 CB CYS A 17 -6.229 -9.241 -2.792 1.00 10.00 C ATOM 235 SG CYS A 17 -6.217 -11.012 -3.180 1.00 10.00 S ATOM 0 H CYS A 17 -8.508 -9.256 -1.859 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.868 -9.652 -0.724 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.983 -8.739 -3.398 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.266 -8.802 -3.053 1.00 10.00 H new ATOM 240 N ALA A 18 -7.082 -6.643 -1.398 1.00 10.00 N ATOM 241 CA ALA A 18 -7.004 -5.229 -1.065 1.00 10.00 C ATOM 242 C ALA A 18 -6.866 -5.033 0.450 1.00 10.00 C ATOM 243 O ALA A 18 -5.877 -4.485 0.936 1.00 10.00 O ATOM 244 CB ALA A 18 -8.205 -4.501 -1.671 1.00 10.00 C ATOM 0 H ALA A 18 -7.849 -6.872 -2.030 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.107 -4.788 -1.499 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.150 -3.441 -1.424 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.195 -4.622 -2.754 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.126 -4.921 -1.267 1.00 10.00 H new ATOM 250 N ASN A 19 -7.819 -5.552 1.221 1.00 10.00 N ATOM 251 CA ASN A 19 -7.798 -5.421 2.675 1.00 10.00 C ATOM 252 C ASN A 19 -6.541 -6.040 3.304 1.00 10.00 C ATOM 253 O ASN A 19 -6.049 -5.574 4.332 1.00 10.00 O ATOM 254 CB ASN A 19 -9.078 -6.010 3.265 1.00 10.00 C ATOM 255 CG ASN A 19 -9.151 -5.791 4.773 1.00 10.00 C ATOM 256 OD1 ASN A 19 -9.181 -6.752 5.536 1.00 10.00 O ATOM 257 ND2 ASN A 19 -9.193 -4.542 5.226 1.00 10.00 N ATOM 0 H ASN A 19 -8.620 -6.070 0.860 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.757 -4.359 2.917 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.944 -5.552 2.787 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -9.122 -7.077 3.049 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.252 -4.365 6.229 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.167 -3.761 4.571 1.00 10.00 H new ATOM 264 N ARG A 20 -5.984 -7.080 2.679 1.00 10.00 N ATOM 265 CA ARG A 20 -4.724 -7.661 3.121 1.00 10.00 C ATOM 266 C ARG A 20 -3.601 -6.629 3.016 1.00 10.00 C ATOM 267 O ARG A 20 -2.761 -6.535 3.917 1.00 10.00 O ATOM 268 CB ARG A 20 -4.407 -8.920 2.304 1.00 10.00 C ATOM 269 CG ARG A 20 -4.258 -10.160 3.192 1.00 10.00 C ATOM 270 CD ARG A 20 -4.334 -11.429 2.339 1.00 10.00 C ATOM 271 NE ARG A 20 -5.706 -11.624 1.845 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.270 -12.792 1.522 1.00 10.00 C ATOM 273 NH1 ARG A 20 -5.519 -13.889 1.378 1.00 10.00 N ATOM 274 NH2 ARG A 20 -7.594 -12.839 1.365 1.00 10.00 N ATOM 0 H ARG A 20 -6.392 -7.535 1.862 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.812 -7.954 4.167 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.201 -9.089 1.576 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.486 -8.765 1.741 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.306 -10.125 3.722 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.044 -10.173 3.948 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -3.644 -11.354 1.499 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.025 -12.292 2.929 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.281 -10.789 1.739 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.510 -13.838 1.515 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -5.956 -14.777 1.131 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -8.153 -11.995 1.491 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -8.047 -13.719 1.119 1.00 10.00 H new ATOM 288 N ILE A 21 -3.586 -5.845 1.931 1.00 10.00 N ATOM 289 CA ILE A 21 -2.601 -4.781 1.798 1.00 10.00 C ATOM 290 C ILE A 21 -2.788 -3.788 2.938 1.00 10.00 C ATOM 291 O ILE A 21 -1.817 -3.438 3.600 1.00 10.00 O ATOM 292 CB ILE A 21 -2.629 -4.051 0.442 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.103 -4.933 -0.716 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.220 -3.522 0.181 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.612 -4.494 -2.098 1.00 10.00 C ATOM 0 H ILE A 21 -4.235 -5.929 1.149 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.621 -5.255 1.847 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.356 -3.240 0.496 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.771 -5.955 -0.535 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.193 -4.948 -0.721 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.200 -2.997 -0.774 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.935 -2.836 0.979 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.518 -4.355 0.152 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.997 -5.177 -2.855 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -2.966 -3.484 -2.306 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.522 -4.507 -2.118 1.00 10.00 H new ATOM 307 N GLU A 22 -4.032 -3.372 3.191 1.00 10.00 N ATOM 308 CA GLU A 22 -4.351 -2.446 4.275 1.00 10.00 C ATOM 309 C GLU A 22 -3.736 -2.961 5.575 1.00 10.00 C ATOM 310 O GLU A 22 -3.036 -2.230 6.275 1.00 10.00 O ATOM 311 CB GLU A 22 -5.870 -2.253 4.420 1.00 10.00 C ATOM 312 CG GLU A 22 -6.486 -1.795 3.101 1.00 10.00 C ATOM 313 CD GLU A 22 -7.977 -1.520 3.165 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.672 -2.264 3.896 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.388 -0.590 2.440 1.00 10.00 O ATOM 0 H GLU A 22 -4.844 -3.669 2.649 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.928 -1.469 4.040 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.331 -3.188 4.737 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -6.075 -1.517 5.197 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.976 -0.890 2.771 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.302 -2.558 2.344 1.00 10.00 H new ATOM 322 N LYS A 23 -3.971 -4.239 5.872 1.00 10.00 N ATOM 323 CA LYS A 23 -3.443 -4.912 7.043 1.00 10.00 C ATOM 324 C LYS A 23 -1.911 -4.846 7.101 1.00 10.00 C ATOM 325 O LYS A 23 -1.358 -4.413 8.113 1.00 10.00 O ATOM 326 CB LYS A 23 -3.957 -6.359 7.053 1.00 10.00 C ATOM 327 CG LYS A 23 -5.152 -6.582 7.992 1.00 10.00 C ATOM 328 CD LYS A 23 -4.763 -6.960 9.433 1.00 10.00 C ATOM 329 CE LYS A 23 -4.021 -5.844 10.186 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.850 -6.151 11.624 1.00 10.00 N ATOM 0 H LYS A 23 -4.548 -4.843 5.287 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.795 -4.401 7.939 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.245 -6.640 6.040 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.144 -7.022 7.349 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.754 -5.674 8.017 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.781 -7.370 7.579 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.665 -7.222 9.986 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.134 -7.850 9.409 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.042 -5.691 9.731 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.572 -4.909 10.080 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.345 -5.369 12.088 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.783 -6.271 12.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.302 -7.028 11.729 1.00 10.00 H new ATOM 344 N ARG A 24 -1.210 -5.313 6.061 1.00 10.00 N ATOM 345 CA ARG A 24 0.251 -5.267 6.063 1.00 10.00 C ATOM 346 C ARG A 24 0.759 -3.833 6.206 1.00 10.00 C ATOM 347 O ARG A 24 1.641 -3.581 7.021 1.00 10.00 O ATOM 348 CB ARG A 24 0.846 -5.907 4.805 1.00 10.00 C ATOM 349 CG ARG A 24 0.719 -7.434 4.736 1.00 10.00 C ATOM 350 CD ARG A 24 1.478 -8.205 5.824 1.00 10.00 C ATOM 351 NE ARG A 24 0.665 -8.385 7.037 1.00 10.00 N ATOM 352 CZ ARG A 24 0.928 -9.279 8.005 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.040 -10.021 7.946 1.00 10.00 N ATOM 354 NH2 ARG A 24 0.078 -9.429 9.027 1.00 10.00 N ATOM 0 H ARG A 24 -1.625 -5.720 5.223 1.00 10.00 H new ATOM 0 HA ARG A 24 0.581 -5.846 6.926 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.358 -5.476 3.930 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.901 -5.642 4.744 1.00 10.00 H new ATOM 0 HG2 ARG A 24 -0.337 -7.697 4.797 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.075 -7.768 3.762 1.00 10.00 H new ATOM 0 HD2 ARG A 24 1.775 -9.180 5.438 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.393 -7.670 6.077 1.00 10.00 H new ATOM 0 HE ARG A 24 -0.155 -7.790 7.151 1.00 10.00 H new ATOM 0 HH11 ARG A 24 2.688 -9.908 7.166 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.240 -10.700 8.681 1.00 10.00 H new ATOM 0 HH21 ARG A 24 -0.770 -8.865 9.072 1.00 10.00 H new ATOM 0 HH22 ARG A 24 0.278 -10.108 9.761 1.00 10.00 H new ATOM 368 N LEU A 25 0.208 -2.904 5.424 1.00 10.00 N ATOM 369 CA LEU A 25 0.627 -1.511 5.434 1.00 10.00 C ATOM 370 C LEU A 25 0.447 -0.926 6.831 1.00 10.00 C ATOM 371 O LEU A 25 1.377 -0.332 7.365 1.00 10.00 O ATOM 372 CB LEU A 25 -0.129 -0.706 4.366 1.00 10.00 C ATOM 373 CG LEU A 25 0.302 -1.080 2.936 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.632 -0.429 1.911 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.729 -0.617 2.631 1.00 10.00 C ATOM 0 H LEU A 25 -0.544 -3.102 4.765 1.00 10.00 H new ATOM 0 HA LEU A 25 1.686 -1.452 5.182 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.200 -0.877 4.476 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.042 0.358 4.528 1.00 10.00 H new ATOM 0 HG LEU A 25 0.254 -2.167 2.868 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.315 -0.702 0.905 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.652 -0.775 2.077 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.595 0.655 2.021 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.994 -0.901 1.612 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.790 0.466 2.733 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.421 -1.087 3.330 1.00 10.00 H new ATOM 387 N ASN A 26 -0.713 -1.150 7.453 1.00 10.00 N ATOM 388 CA ASN A 26 -0.957 -0.762 8.838 1.00 10.00 C ATOM 389 C ASN A 26 0.128 -1.305 9.769 1.00 10.00 C ATOM 390 O ASN A 26 0.505 -0.642 10.729 1.00 10.00 O ATOM 391 CB ASN A 26 -2.333 -1.254 9.305 1.00 10.00 C ATOM 392 CG ASN A 26 -3.424 -0.216 9.062 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.862 0.457 9.988 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.885 -0.083 7.824 1.00 10.00 N ATOM 0 H ASN A 26 -1.509 -1.606 7.007 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.934 0.327 8.880 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.586 -2.175 8.780 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.291 -1.494 10.367 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.622 0.593 7.624 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.502 -0.657 7.073 1.00 10.00 H new ATOM 401 N LYS A 27 0.619 -2.520 9.507 1.00 10.00 N ATOM 402 CA LYS A 27 1.676 -3.116 10.310 1.00 10.00 C ATOM 403 C LYS A 27 3.031 -2.401 10.170 1.00 10.00 C ATOM 404 O LYS A 27 3.928 -2.692 10.961 1.00 10.00 O ATOM 405 CB LYS A 27 1.826 -4.616 9.994 1.00 10.00 C ATOM 406 CG LYS A 27 2.092 -5.424 11.276 1.00 10.00 C ATOM 407 CD LYS A 27 3.094 -6.566 11.059 1.00 10.00 C ATOM 408 CE LYS A 27 4.531 -6.026 11.184 1.00 10.00 C ATOM 409 NZ LYS A 27 5.555 -7.088 11.095 1.00 10.00 N ATOM 0 H LYS A 27 0.295 -3.108 8.739 1.00 10.00 H new ATOM 0 HA LYS A 27 1.368 -2.994 11.348 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.920 -4.982 9.510 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.645 -4.763 9.290 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.471 -4.756 12.050 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.152 -5.836 11.643 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.926 -7.354 11.793 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.946 -7.010 10.075 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.707 -5.292 10.398 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.637 -5.506 12.136 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.501 -6.666 11.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 5.408 -7.777 11.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.477 -7.569 10.176 1.00 10.00 H new ATOM 423 N ILE A 28 3.229 -1.543 9.162 1.00 10.00 N ATOM 424 CA ILE A 28 4.480 -0.806 9.011 1.00 10.00 C ATOM 425 C ILE A 28 4.547 0.284 10.082 1.00 10.00 C ATOM 426 O ILE A 28 3.559 0.952 10.379 1.00 10.00 O ATOM 427 CB ILE A 28 4.619 -0.191 7.604 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.422 -1.181 6.451 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.912 0.624 7.453 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.674 -2.007 6.259 1.00 10.00 C ATOM 0 H ILE A 28 2.536 -1.345 8.441 1.00 10.00 H new ATOM 0 HA ILE A 28 5.310 -1.502 9.136 1.00 10.00 H new ATOM 0 HB ILE A 28 3.781 0.501 7.521 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.575 -1.834 6.662 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.188 -0.641 5.533 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.966 1.037 6.446 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.917 1.436 8.180 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.772 -0.023 7.626 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.525 -2.708 5.438 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.512 -1.349 6.027 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.889 -2.560 7.173 1.00 10.00 H new ATOM 442 N GLU A 29 5.736 0.470 10.645 1.00 10.00 N ATOM 443 CA GLU A 29 5.992 1.417 11.714 1.00 10.00 C ATOM 444 C GLU A 29 6.284 2.785 11.089 1.00 10.00 C ATOM 445 O GLU A 29 7.149 2.899 10.224 1.00 10.00 O ATOM 446 CB GLU A 29 7.137 0.876 12.584 1.00 10.00 C ATOM 447 CG GLU A 29 6.806 -0.552 13.058 1.00 10.00 C ATOM 448 CD GLU A 29 7.833 -1.096 14.040 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.819 -0.619 15.195 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.591 -1.999 13.624 1.00 10.00 O ATOM 0 H GLU A 29 6.567 -0.049 10.360 1.00 10.00 H new ATOM 0 HA GLU A 29 5.131 1.544 12.370 1.00 10.00 H new ATOM 0 HB2 GLU A 29 8.067 0.873 12.016 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.291 1.528 13.444 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.822 -0.556 13.528 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.749 -1.214 12.194 1.00 10.00 H new ATOM 457 N GLY A 30 5.522 3.811 11.482 1.00 10.00 N ATOM 458 CA GLY A 30 5.618 5.159 10.927 1.00 10.00 C ATOM 459 C GLY A 30 4.673 5.382 9.740 1.00 10.00 C ATOM 460 O GLY A 30 4.887 6.297 8.943 1.00 10.00 O ATOM 0 H GLY A 30 4.810 3.723 12.207 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.391 5.885 11.707 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.644 5.344 10.608 1.00 10.00 H new ATOM 464 N VAL A 31 3.612 4.574 9.641 1.00 10.00 N ATOM 465 CA VAL A 31 2.497 4.793 8.727 1.00 10.00 C ATOM 466 C VAL A 31 1.382 5.507 9.498 1.00 10.00 C ATOM 467 O VAL A 31 1.311 5.385 10.720 1.00 10.00 O ATOM 468 CB VAL A 31 2.037 3.436 8.158 1.00 10.00 C ATOM 469 CG1 VAL A 31 1.161 2.664 9.154 1.00 10.00 C ATOM 470 CG2 VAL A 31 1.286 3.593 6.828 1.00 10.00 C ATOM 0 H VAL A 31 3.507 3.733 10.208 1.00 10.00 H new ATOM 0 HA VAL A 31 2.787 5.419 7.883 1.00 10.00 H new ATOM 0 HB VAL A 31 2.947 2.863 7.977 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.859 1.714 8.713 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.727 2.477 10.067 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.274 3.252 9.391 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.981 2.612 6.464 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.403 4.214 6.980 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.940 4.065 6.094 1.00 10.00 H new ATOM 480 N ALA A 32 0.511 6.233 8.794 1.00 10.00 N ATOM 481 CA ALA A 32 -0.700 6.816 9.359 1.00 10.00 C ATOM 482 C ALA A 32 -1.928 6.036 8.891 1.00 10.00 C ATOM 483 O ALA A 32 -2.690 5.551 9.721 1.00 10.00 O ATOM 484 CB ALA A 32 -0.797 8.299 8.998 1.00 10.00 C ATOM 0 H ALA A 32 0.632 6.433 7.801 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.657 6.747 10.446 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.707 8.719 9.427 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.070 8.828 9.395 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.823 8.409 7.914 1.00 10.00 H new ATOM 490 N ASN A 33 -2.128 5.906 7.573 1.00 10.00 N ATOM 491 CA ASN A 33 -3.279 5.205 7.000 1.00 10.00 C ATOM 492 C ASN A 33 -2.884 4.614 5.653 1.00 10.00 C ATOM 493 O ASN A 33 -1.842 4.966 5.106 1.00 10.00 O ATOM 494 CB ASN A 33 -4.486 6.138 6.794 1.00 10.00 C ATOM 495 CG ASN A 33 -5.055 6.700 8.087 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.633 5.968 8.884 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.943 8.007 8.289 1.00 10.00 N ATOM 0 H ASN A 33 -1.491 6.287 6.873 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.572 4.424 7.702 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.188 6.965 6.149 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.270 5.592 6.270 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.344 8.430 9.126 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.456 8.589 7.607 1.00 10.00 H new ATOM 504 N ALA A 34 -3.728 3.735 5.107 1.00 10.00 N ATOM 505 CA ALA A 34 -3.497 3.072 3.830 1.00 10.00 C ATOM 506 C ALA A 34 -4.754 2.399 3.258 1.00 10.00 C ATOM 507 O ALA A 34 -4.699 1.211 2.950 1.00 10.00 O ATOM 508 CB ALA A 34 -2.373 2.044 4.009 1.00 10.00 C ATOM 0 H ALA A 34 -4.605 3.462 5.551 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.212 3.835 3.105 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.188 1.539 3.061 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.464 2.551 4.333 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.667 1.311 4.760 1.00 10.00 H new ATOM 514 N PRO A 35 -5.884 3.108 3.094 1.00 10.00 N ATOM 515 CA PRO A 35 -7.078 2.525 2.494 1.00 10.00 C ATOM 516 C PRO A 35 -6.848 2.213 1.007 1.00 10.00 C ATOM 517 O PRO A 35 -6.420 3.088 0.251 1.00 10.00 O ATOM 518 CB PRO A 35 -8.176 3.574 2.694 1.00 10.00 C ATOM 519 CG PRO A 35 -7.404 4.894 2.734 1.00 10.00 C ATOM 520 CD PRO A 35 -6.101 4.507 3.434 1.00 10.00 C ATOM 0 HA PRO A 35 -7.349 1.574 2.953 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.901 3.557 1.880 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.730 3.405 3.617 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.224 5.287 1.733 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.946 5.662 3.285 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.272 5.128 3.094 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.179 4.642 4.513 1.00 10.00 H new ATOM 528 N VAL A 36 -7.131 0.980 0.572 1.00 10.00 N ATOM 529 CA VAL A 36 -6.987 0.576 -0.821 1.00 10.00 C ATOM 530 C VAL A 36 -8.247 0.937 -1.614 1.00 10.00 C ATOM 531 O VAL A 36 -9.363 0.576 -1.242 1.00 10.00 O ATOM 532 CB VAL A 36 -6.682 -0.925 -0.880 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.657 -1.425 -2.326 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.315 -1.231 -0.254 1.00 10.00 C ATOM 0 H VAL A 36 -7.467 0.235 1.183 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.157 1.112 -1.280 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.472 -1.430 -0.324 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.438 -2.493 -2.338 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.628 -1.248 -2.789 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.887 -0.891 -2.882 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.122 -2.302 -0.308 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.538 -0.694 -0.798 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.313 -0.914 0.789 1.00 10.00 H new ATOM 544 N ASN A 37 -8.076 1.627 -2.745 1.00 10.00 N ATOM 545 CA ASN A 37 -9.171 2.087 -3.581 1.00 10.00 C ATOM 546 C ASN A 37 -9.495 1.015 -4.629 1.00 10.00 C ATOM 547 O ASN A 37 -9.008 1.055 -5.767 1.00 10.00 O ATOM 548 CB ASN A 37 -8.805 3.453 -4.177 1.00 10.00 C ATOM 549 CG ASN A 37 -9.943 4.038 -5.003 1.00 10.00 C ATOM 550 OD1 ASN A 37 -10.616 4.975 -4.593 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.153 3.484 -6.188 1.00 10.00 N ATOM 0 H ASN A 37 -7.156 1.882 -3.105 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.083 2.234 -3.002 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.549 4.143 -3.373 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.919 3.350 -4.803 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.896 3.837 -6.792 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.572 2.704 -6.497 1.00 10.00 H new ATOM 558 N PHE A 38 -10.340 0.058 -4.234 1.00 10.00 N ATOM 559 CA PHE A 38 -10.766 -1.075 -5.052 1.00 10.00 C ATOM 560 C PHE A 38 -11.704 -0.638 -6.186 1.00 10.00 C ATOM 561 O PHE A 38 -12.903 -0.906 -6.163 1.00 10.00 O ATOM 562 CB PHE A 38 -11.417 -2.134 -4.152 1.00 10.00 C ATOM 563 CG PHE A 38 -11.532 -3.508 -4.782 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.399 -4.337 -4.844 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.756 -3.961 -5.314 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.496 -5.628 -5.388 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.844 -5.241 -5.891 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.715 -6.078 -5.923 1.00 10.00 C ATOM 0 H PHE A 38 -10.759 0.053 -3.304 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.890 -1.511 -5.532 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.838 -2.217 -3.232 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.413 -1.792 -3.872 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.450 -3.980 -4.472 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.628 -3.324 -5.279 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.632 -6.276 -5.395 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.780 -5.581 -6.310 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.784 -7.064 -6.358 1.00 10.00 H new ATOM 578 N ALA A 39 -11.139 0.040 -7.184 1.00 10.00 N ATOM 579 CA ALA A 39 -11.799 0.404 -8.434 1.00 10.00 C ATOM 580 C ALA A 39 -10.739 0.755 -9.477 1.00 10.00 C ATOM 581 O ALA A 39 -10.669 0.148 -10.540 1.00 10.00 O ATOM 582 CB ALA A 39 -12.761 1.576 -8.206 1.00 10.00 C ATOM 0 H ALA A 39 -10.172 0.362 -7.141 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.386 -0.439 -8.799 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.246 1.837 -9.147 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.517 1.289 -7.475 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.205 2.436 -7.834 1.00 10.00 H new ATOM 588 N LEU A 40 -9.899 1.737 -9.145 1.00 10.00 N ATOM 589 CA LEU A 40 -8.789 2.194 -9.976 1.00 10.00 C ATOM 590 C LEU A 40 -7.628 1.193 -9.918 1.00 10.00 C ATOM 591 O LEU A 40 -6.797 1.157 -10.819 1.00 10.00 O ATOM 592 CB LEU A 40 -8.298 3.568 -9.483 1.00 10.00 C ATOM 593 CG LEU A 40 -9.331 4.667 -9.374 1.00 10.00 C ATOM 594 CD1 LEU A 40 -8.906 5.775 -8.401 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.642 5.260 -10.742 1.00 10.00 C ATOM 0 H LEU A 40 -9.976 2.249 -8.266 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.139 2.275 -11.005 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.842 3.433 -8.502 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.511 3.908 -10.156 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.234 4.207 -8.972 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.682 6.540 -8.359 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.760 5.351 -7.408 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -7.974 6.223 -8.744 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.388 6.048 -10.636 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.732 5.677 -11.173 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.029 4.480 -11.397 1.00 10.00 H new ATOM 607 N GLU A 41 -7.570 0.422 -8.826 1.00 10.00 N ATOM 608 CA GLU A 41 -6.453 -0.429 -8.436 1.00 10.00 C ATOM 609 C GLU A 41 -5.280 0.470 -8.017 1.00 10.00 C ATOM 610 O GLU A 41 -4.143 0.337 -8.462 1.00 10.00 O ATOM 611 CB GLU A 41 -6.146 -1.523 -9.482 1.00 10.00 C ATOM 612 CG GLU A 41 -5.909 -2.871 -8.774 1.00 10.00 C ATOM 613 CD GLU A 41 -5.574 -4.049 -9.692 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.967 -3.989 -10.875 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.979 -5.028 -9.175 1.00 10.00 O ATOM 0 H GLU A 41 -8.342 0.376 -8.161 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.708 -1.028 -7.562 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.976 -1.611 -10.183 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.266 -1.247 -10.063 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.096 -2.748 -8.059 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.802 -3.122 -8.201 1.00 10.00 H new ATOM 622 N THR A 42 -5.605 1.389 -7.106 1.00 10.00 N ATOM 623 CA THR A 42 -4.727 2.368 -6.487 1.00 10.00 C ATOM 624 C THR A 42 -4.836 2.193 -4.971 1.00 10.00 C ATOM 625 O THR A 42 -5.905 1.834 -4.473 1.00 10.00 O ATOM 626 CB THR A 42 -5.162 3.786 -6.899 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.066 3.923 -8.303 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.321 4.888 -6.240 1.00 10.00 C ATOM 0 H THR A 42 -6.561 1.469 -6.760 1.00 10.00 H new ATOM 0 HA THR A 42 -3.695 2.225 -6.807 1.00 10.00 H new ATOM 0 HB THR A 42 -6.191 3.908 -6.560 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.345 4.826 -8.563 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.677 5.864 -6.570 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.412 4.816 -5.156 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.276 4.767 -6.525 1.00 10.00 H new ATOM 636 N VAL A 43 -3.761 2.472 -4.231 1.00 10.00 N ATOM 637 CA VAL A 43 -3.814 2.691 -2.790 1.00 10.00 C ATOM 638 C VAL A 43 -3.227 4.070 -2.510 1.00 10.00 C ATOM 639 O VAL A 43 -2.219 4.442 -3.116 1.00 10.00 O ATOM 640 CB VAL A 43 -3.098 1.567 -2.018 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.624 1.414 -2.408 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.180 1.767 -0.498 1.00 10.00 C ATOM 0 H VAL A 43 -2.822 2.552 -4.622 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.845 2.662 -2.437 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.629 0.657 -2.298 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.176 0.606 -1.829 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.551 1.183 -3.471 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.095 2.344 -2.202 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.662 0.951 0.005 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.712 2.714 -0.230 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.225 1.778 -0.188 1.00 10.00 H new ATOM 652 N THR A 44 -3.868 4.810 -1.604 1.00 10.00 N ATOM 653 CA THR A 44 -3.377 6.084 -1.111 1.00 10.00 C ATOM 654 C THR A 44 -2.858 5.825 0.299 1.00 10.00 C ATOM 655 O THR A 44 -3.645 5.480 1.178 1.00 10.00 O ATOM 656 CB THR A 44 -4.502 7.127 -1.126 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.177 7.075 -2.370 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.941 8.538 -0.924 1.00 10.00 C ATOM 0 H THR A 44 -4.757 4.530 -1.190 1.00 10.00 H new ATOM 0 HA THR A 44 -2.580 6.485 -1.738 1.00 10.00 H new ATOM 0 HB THR A 44 -5.190 6.901 -0.312 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.897 7.740 -2.380 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.758 9.260 -0.938 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.427 8.591 0.036 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.239 8.769 -1.725 1.00 10.00 H new ATOM 666 N VAL A 45 -1.547 5.937 0.511 1.00 10.00 N ATOM 667 CA VAL A 45 -0.930 5.678 1.802 1.00 10.00 C ATOM 668 C VAL A 45 -0.576 7.005 2.448 1.00 10.00 C ATOM 669 O VAL A 45 0.148 7.808 1.865 1.00 10.00 O ATOM 670 CB VAL A 45 0.295 4.769 1.656 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.931 4.494 3.026 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.125 3.438 1.021 1.00 10.00 C ATOM 0 H VAL A 45 -0.884 6.211 -0.214 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.632 5.148 2.445 1.00 10.00 H new ATOM 0 HB VAL A 45 1.025 5.272 1.021 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.799 3.847 2.901 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.243 5.436 3.478 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.203 4.004 3.673 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.747 2.793 0.918 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.865 2.950 1.655 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.557 3.624 0.038 1.00 10.00 H new ATOM 682 N GLU A 46 -1.078 7.221 3.660 1.00 10.00 N ATOM 683 CA GLU A 46 -0.722 8.353 4.480 1.00 10.00 C ATOM 684 C GLU A 46 0.422 7.900 5.383 1.00 10.00 C ATOM 685 O GLU A 46 0.242 6.947 6.144 1.00 10.00 O ATOM 686 CB GLU A 46 -1.956 8.784 5.274 1.00 10.00 C ATOM 687 CG GLU A 46 -3.125 9.127 4.338 1.00 10.00 C ATOM 688 CD GLU A 46 -4.290 9.755 5.088 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.258 9.699 6.336 1.00 10.00 O ATOM 690 OE2 GLU A 46 -5.190 10.281 4.401 1.00 10.00 O ATOM 0 H GLU A 46 -1.755 6.597 4.099 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.395 9.214 3.896 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.253 7.985 5.953 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.712 9.650 5.889 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.780 9.813 3.564 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.464 8.222 3.834 1.00 10.00 H new ATOM 697 N TYR A 47 1.590 8.543 5.297 1.00 10.00 N ATOM 698 CA TYR A 47 2.744 8.206 6.125 1.00 10.00 C ATOM 699 C TYR A 47 3.652 9.419 6.271 1.00 10.00 C ATOM 700 O TYR A 47 3.320 10.501 5.793 1.00 10.00 O ATOM 701 CB TYR A 47 3.507 6.988 5.572 1.00 10.00 C ATOM 702 CG TYR A 47 4.425 7.228 4.382 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.901 7.356 3.082 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.824 7.211 4.564 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.769 7.481 1.982 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.686 7.359 3.466 1.00 10.00 C ATOM 707 CZ TYR A 47 6.159 7.529 2.176 1.00 10.00 C ATOM 708 OH TYR A 47 7.002 7.612 1.107 1.00 10.00 O ATOM 0 H TYR A 47 1.759 9.313 4.649 1.00 10.00 H new ATOM 0 HA TYR A 47 2.385 7.924 7.115 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.104 6.567 6.381 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.776 6.231 5.288 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.832 7.358 2.929 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.234 7.083 5.555 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.364 7.540 0.983 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.756 7.342 3.614 1.00 10.00 H new ATOM 0 HH TYR A 47 7.929 7.637 1.423 1.00 10.00 H new ATOM 718 N ASN A 48 4.784 9.246 6.951 1.00 10.00 N ATOM 719 CA ASN A 48 5.825 10.236 7.088 1.00 10.00 C ATOM 720 C ASN A 48 7.186 9.571 6.850 1.00 10.00 C ATOM 721 O ASN A 48 7.467 8.551 7.483 1.00 10.00 O ATOM 722 CB ASN A 48 5.732 10.842 8.485 1.00 10.00 C ATOM 723 CG ASN A 48 5.522 9.842 9.620 1.00 10.00 C ATOM 724 OD1 ASN A 48 4.408 9.660 10.097 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.585 9.202 10.083 1.00 10.00 N ATOM 0 H ASN A 48 4.999 8.375 7.437 1.00 10.00 H new ATOM 0 HA ASN A 48 5.709 11.033 6.354 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.646 11.402 8.681 1.00 10.00 H new ATOM 0 HB3 ASN A 48 4.911 11.558 8.498 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.487 8.541 10.853 1.00 10.00 H new ATOM 0 HD22 ASN A 48 7.502 9.370 9.669 1.00 10.00 H new ATOM 732 N PRO A 49 8.040 10.116 5.968 1.00 10.00 N ATOM 733 CA PRO A 49 9.315 9.514 5.612 1.00 10.00 C ATOM 734 C PRO A 49 10.305 9.667 6.768 1.00 10.00 C ATOM 735 O PRO A 49 11.171 10.541 6.756 1.00 10.00 O ATOM 736 CB PRO A 49 9.760 10.230 4.333 1.00 10.00 C ATOM 737 CG PRO A 49 9.139 11.617 4.477 1.00 10.00 C ATOM 738 CD PRO A 49 7.818 11.322 5.185 1.00 10.00 C ATOM 0 HA PRO A 49 9.248 8.441 5.431 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.846 10.281 4.257 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.401 9.719 3.440 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.771 12.285 5.062 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.982 12.093 3.509 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.525 12.154 5.825 1.00 10.00 H new ATOM 0 HD3 PRO A 49 7.014 11.176 4.464 1.00 10.00 H new ATOM 746 N LYS A 50 10.156 8.819 7.788 1.00 10.00 N ATOM 747 CA LYS A 50 11.002 8.820 8.971 1.00 10.00 C ATOM 748 C LYS A 50 11.423 7.392 9.314 1.00 10.00 C ATOM 749 O LYS A 50 12.618 7.112 9.376 1.00 10.00 O ATOM 750 CB LYS A 50 10.272 9.526 10.125 1.00 10.00 C ATOM 751 CG LYS A 50 11.214 10.129 11.180 1.00 10.00 C ATOM 752 CD LYS A 50 11.772 11.517 10.792 1.00 10.00 C ATOM 753 CE LYS A 50 13.144 11.547 10.096 1.00 10.00 C ATOM 754 NZ LYS A 50 14.214 10.947 10.920 1.00 10.00 N ATOM 0 H LYS A 50 9.430 8.103 7.810 1.00 10.00 H new ATOM 0 HA LYS A 50 11.918 9.379 8.781 1.00 10.00 H new ATOM 0 HB2 LYS A 50 9.646 10.319 9.715 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.606 8.813 10.611 1.00 10.00 H new ATOM 0 HG2 LYS A 50 10.679 10.213 12.126 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.047 9.445 11.344 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.049 12.002 10.137 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.838 12.121 11.697 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.078 11.013 9.148 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.406 12.579 9.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.141 11.214 10.532 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.135 11.293 11.897 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.120 9.911 10.911 1.00 10.00 H new ATOM 768 N GLU A 51 10.438 6.518 9.535 1.00 10.00 N ATOM 769 CA GLU A 51 10.633 5.116 9.882 1.00 10.00 C ATOM 770 C GLU A 51 10.134 4.212 8.748 1.00 10.00 C ATOM 771 O GLU A 51 10.727 3.170 8.481 1.00 10.00 O ATOM 772 CB GLU A 51 9.919 4.826 11.208 1.00 10.00 C ATOM 773 CG GLU A 51 10.393 5.778 12.318 1.00 10.00 C ATOM 774 CD GLU A 51 9.664 5.519 13.627 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.419 5.625 13.602 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.366 5.251 14.625 1.00 10.00 O ATOM 0 H GLU A 51 9.454 6.779 9.474 1.00 10.00 H new ATOM 0 HA GLU A 51 11.695 4.905 10.012 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.842 4.928 11.074 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.106 3.794 11.506 1.00 10.00 H new ATOM 0 HG2 GLU A 51 11.466 5.657 12.468 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.229 6.810 12.008 1.00 10.00 H new ATOM 783 N ALA A 52 9.069 4.630 8.056 1.00 10.00 N ATOM 784 CA ALA A 52 8.542 3.985 6.871 1.00 10.00 C ATOM 785 C ALA A 52 9.087 4.725 5.654 1.00 10.00 C ATOM 786 O ALA A 52 9.250 5.945 5.694 1.00 10.00 O ATOM 787 CB ALA A 52 7.014 4.075 6.893 1.00 10.00 C ATOM 0 H ALA A 52 8.538 5.458 8.324 1.00 10.00 H new ATOM 0 HA ALA A 52 8.836 2.936 6.834 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.608 3.592 6.004 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.633 3.575 7.784 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.711 5.122 6.907 1.00 10.00 H new ATOM 793 N SER A 53 9.338 3.993 4.571 1.00 10.00 N ATOM 794 CA SER A 53 9.644 4.522 3.263 1.00 10.00 C ATOM 795 C SER A 53 8.742 3.859 2.235 1.00 10.00 C ATOM 796 O SER A 53 8.234 2.757 2.462 1.00 10.00 O ATOM 797 CB SER A 53 11.096 4.224 2.907 1.00 10.00 C ATOM 798 OG SER A 53 11.317 2.846 2.651 1.00 10.00 O ATOM 0 H SER A 53 9.331 2.973 4.592 1.00 10.00 H new ATOM 0 HA SER A 53 9.485 5.600 3.267 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.379 4.804 2.028 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.741 4.547 3.724 1.00 10.00 H new ATOM 0 HG SER A 53 11.488 2.380 3.496 1.00 10.00 H new ATOM 804 N VAL A 54 8.608 4.517 1.083 1.00 10.00 N ATOM 805 CA VAL A 54 7.913 3.968 -0.067 1.00 10.00 C ATOM 806 C VAL A 54 8.487 2.590 -0.427 1.00 10.00 C ATOM 807 O VAL A 54 7.736 1.638 -0.598 1.00 10.00 O ATOM 808 CB VAL A 54 7.882 4.988 -1.221 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.261 5.349 -1.787 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.963 4.515 -2.351 1.00 10.00 C ATOM 0 H VAL A 54 8.984 5.452 0.927 1.00 10.00 H new ATOM 0 HA VAL A 54 6.865 3.788 0.174 1.00 10.00 H new ATOM 0 HB VAL A 54 7.486 5.901 -0.777 1.00 10.00 H new ATOM 0 HG11 VAL A 54 9.145 6.072 -2.594 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.876 5.782 -0.998 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.743 4.450 -2.171 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.961 5.255 -3.152 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.323 3.562 -2.738 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.950 4.391 -1.968 1.00 10.00 H new ATOM 820 N SER A 55 9.813 2.448 -0.490 1.00 10.00 N ATOM 821 CA SER A 55 10.461 1.172 -0.772 1.00 10.00 C ATOM 822 C SER A 55 10.067 0.069 0.218 1.00 10.00 C ATOM 823 O SER A 55 9.732 -1.039 -0.203 1.00 10.00 O ATOM 824 CB SER A 55 11.977 1.373 -0.784 1.00 10.00 C ATOM 825 OG SER A 55 12.302 2.383 -1.720 1.00 10.00 O ATOM 0 H SER A 55 10.466 3.218 -0.346 1.00 10.00 H new ATOM 0 HA SER A 55 10.119 0.834 -1.750 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.327 1.654 0.209 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.478 0.441 -1.047 1.00 10.00 H new ATOM 0 HG SER A 55 13.273 2.518 -1.732 1.00 10.00 H new ATOM 831 N ASP A 56 10.116 0.351 1.525 1.00 10.00 N ATOM 832 CA ASP A 56 9.847 -0.662 2.540 1.00 10.00 C ATOM 833 C ASP A 56 8.429 -1.182 2.351 1.00 10.00 C ATOM 834 O ASP A 56 8.181 -2.385 2.225 1.00 10.00 O ATOM 835 CB ASP A 56 10.005 -0.056 3.942 1.00 10.00 C ATOM 836 CG ASP A 56 11.444 -0.090 4.424 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.156 0.898 4.135 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.795 -1.091 5.082 1.00 10.00 O ATOM 0 H ASP A 56 10.340 1.273 1.900 1.00 10.00 H new ATOM 0 HA ASP A 56 10.556 -1.484 2.437 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.652 0.975 3.932 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.376 -0.602 4.645 1.00 10.00 H new ATOM 843 N LEU A 57 7.482 -0.246 2.316 1.00 10.00 N ATOM 844 CA LEU A 57 6.085 -0.601 2.185 1.00 10.00 C ATOM 845 C LEU A 57 5.834 -1.290 0.843 1.00 10.00 C ATOM 846 O LEU A 57 5.064 -2.245 0.775 1.00 10.00 O ATOM 847 CB LEU A 57 5.200 0.606 2.513 1.00 10.00 C ATOM 848 CG LEU A 57 5.263 1.788 1.541 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.414 1.594 0.281 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.784 3.055 2.257 1.00 10.00 C ATOM 0 H LEU A 57 7.663 0.756 2.377 1.00 10.00 H new ATOM 0 HA LEU A 57 5.797 -1.351 2.922 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.166 0.265 2.568 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.470 0.967 3.506 1.00 10.00 H new ATOM 0 HG LEU A 57 6.302 1.870 1.221 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.508 2.471 -0.360 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.759 0.712 -0.258 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.370 1.461 0.563 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.827 3.900 1.569 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.758 2.915 2.596 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.426 3.253 3.115 1.00 10.00 H new ATOM 862 N LYS A 58 6.522 -0.858 -0.221 1.00 10.00 N ATOM 863 CA LYS A 58 6.433 -1.491 -1.527 1.00 10.00 C ATOM 864 C LYS A 58 6.767 -2.969 -1.359 1.00 10.00 C ATOM 865 O LYS A 58 5.984 -3.828 -1.760 1.00 10.00 O ATOM 866 CB LYS A 58 7.380 -0.781 -2.514 1.00 10.00 C ATOM 867 CG LYS A 58 7.205 -1.077 -4.009 1.00 10.00 C ATOM 868 CD LYS A 58 7.327 -2.574 -4.275 1.00 10.00 C ATOM 869 CE LYS A 58 7.822 -2.919 -5.685 1.00 10.00 C ATOM 870 NZ LYS A 58 8.343 -4.301 -5.755 1.00 10.00 N ATOM 0 H LYS A 58 7.155 -0.058 -0.193 1.00 10.00 H new ATOM 0 HA LYS A 58 5.428 -1.409 -1.940 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.270 0.294 -2.370 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.403 -1.036 -2.239 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.231 -0.720 -4.345 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.958 -0.537 -4.583 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.010 -3.008 -3.545 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.355 -3.041 -4.118 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.005 -2.801 -6.397 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.604 -2.219 -5.978 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 9.028 -4.375 -6.534 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.811 -4.541 -4.858 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.556 -4.960 -5.922 1.00 10.00 H new ATOM 884 N GLU A 59 7.933 -3.265 -0.783 1.00 10.00 N ATOM 885 CA GLU A 59 8.370 -4.641 -0.606 1.00 10.00 C ATOM 886 C GLU A 59 7.349 -5.419 0.229 1.00 10.00 C ATOM 887 O GLU A 59 7.020 -6.555 -0.087 1.00 10.00 O ATOM 888 CB GLU A 59 9.776 -4.696 0.004 1.00 10.00 C ATOM 889 CG GLU A 59 10.371 -6.086 -0.248 1.00 10.00 C ATOM 890 CD GLU A 59 11.704 -6.279 0.456 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.695 -5.723 -0.061 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.700 -6.989 1.486 1.00 10.00 O ATOM 0 H GLU A 59 8.588 -2.566 -0.433 1.00 10.00 H new ATOM 0 HA GLU A 59 8.430 -5.120 -1.584 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.410 -3.928 -0.440 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.731 -4.493 1.074 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.669 -6.847 0.093 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.504 -6.233 -1.320 1.00 10.00 H new ATOM 899 N ALA A 60 6.815 -4.797 1.278 1.00 10.00 N ATOM 900 CA ALA A 60 5.787 -5.376 2.129 1.00 10.00 C ATOM 901 C ALA A 60 4.528 -5.740 1.334 1.00 10.00 C ATOM 902 O ALA A 60 3.938 -6.791 1.571 1.00 10.00 O ATOM 903 CB ALA A 60 5.470 -4.420 3.278 1.00 10.00 C ATOM 0 H ALA A 60 7.093 -3.858 1.563 1.00 10.00 H new ATOM 0 HA ALA A 60 6.169 -6.308 2.546 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.700 -4.857 3.913 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.371 -4.247 3.867 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.113 -3.472 2.875 1.00 10.00 H new ATOM 909 N VAL A 61 4.108 -4.895 0.387 1.00 10.00 N ATOM 910 CA VAL A 61 3.025 -5.259 -0.523 1.00 10.00 C ATOM 911 C VAL A 61 3.468 -6.403 -1.431 1.00 10.00 C ATOM 912 O VAL A 61 2.754 -7.395 -1.552 1.00 10.00 O ATOM 913 CB VAL A 61 2.522 -4.043 -1.317 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.441 -4.487 -2.314 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.962 -2.996 -0.344 1.00 10.00 C ATOM 0 H VAL A 61 4.498 -3.965 0.234 1.00 10.00 H new ATOM 0 HA VAL A 61 2.177 -5.609 0.065 1.00 10.00 H new ATOM 0 HB VAL A 61 3.347 -3.600 -1.875 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.087 -3.622 -2.875 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.861 -5.220 -3.003 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.608 -4.934 -1.772 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.605 -2.132 -0.905 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.136 -3.429 0.221 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.747 -2.682 0.344 1.00 10.00 H new ATOM 925 N ASP A 62 4.649 -6.290 -2.043 1.00 10.00 N ATOM 926 CA ASP A 62 5.195 -7.329 -2.910 1.00 10.00 C ATOM 927 C ASP A 62 5.174 -8.682 -2.182 1.00 10.00 C ATOM 928 O ASP A 62 4.789 -9.700 -2.754 1.00 10.00 O ATOM 929 CB ASP A 62 6.597 -6.924 -3.399 1.00 10.00 C ATOM 930 CG ASP A 62 6.881 -7.447 -4.798 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.694 -8.653 -5.045 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.274 -6.635 -5.672 1.00 10.00 O ATOM 0 H ASP A 62 5.252 -5.473 -1.949 1.00 10.00 H new ATOM 0 HA ASP A 62 4.575 -7.441 -3.799 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.684 -5.838 -3.393 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.348 -7.308 -2.708 1.00 10.00 H new ATOM 937 N LYS A 63 5.490 -8.675 -0.879 1.00 10.00 N ATOM 938 CA LYS A 63 5.445 -9.851 -0.012 1.00 10.00 C ATOM 939 C LYS A 63 4.095 -10.584 -0.070 1.00 10.00 C ATOM 940 O LYS A 63 4.058 -11.802 0.101 1.00 10.00 O ATOM 941 CB LYS A 63 5.775 -9.439 1.432 1.00 10.00 C ATOM 942 CG LYS A 63 6.257 -10.612 2.294 1.00 10.00 C ATOM 943 CD LYS A 63 6.443 -10.128 3.741 1.00 10.00 C ATOM 944 CE LYS A 63 7.011 -11.215 4.663 1.00 10.00 C ATOM 945 NZ LYS A 63 8.413 -11.553 4.338 1.00 10.00 N ATOM 0 H LYS A 63 5.790 -7.830 -0.392 1.00 10.00 H new ATOM 0 HA LYS A 63 6.193 -10.555 -0.376 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.544 -8.666 1.417 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.889 -8.999 1.890 1.00 10.00 H new ATOM 0 HG2 LYS A 63 5.533 -11.426 2.260 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.197 -11.004 1.905 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.111 -9.267 3.748 1.00 10.00 H new ATOM 0 HD3 LYS A 63 5.483 -9.791 4.133 1.00 10.00 H new ATOM 0 HE2 LYS A 63 6.952 -10.877 5.698 1.00 10.00 H new ATOM 0 HE3 LYS A 63 6.396 -12.112 4.585 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 8.773 -12.241 5.029 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 8.459 -11.964 3.384 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 8.995 -10.692 4.372 1.00 10.00 H new ATOM 959 N LEU A 64 2.985 -9.863 -0.269 1.00 10.00 N ATOM 960 CA LEU A 64 1.659 -10.460 -0.390 1.00 10.00 C ATOM 961 C LEU A 64 1.465 -11.146 -1.750 1.00 10.00 C ATOM 962 O LEU A 64 0.624 -12.035 -1.855 1.00 10.00 O ATOM 963 CB LEU A 64 0.572 -9.402 -0.159 1.00 10.00 C ATOM 964 CG LEU A 64 0.448 -8.944 1.303 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.292 -7.602 1.345 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.332 -9.972 2.134 1.00 10.00 C ATOM 0 H LEU A 64 2.986 -8.846 -0.350 1.00 10.00 H new ATOM 0 HA LEU A 64 1.572 -11.228 0.378 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.784 -8.535 -0.784 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.387 -9.803 -0.486 1.00 10.00 H new ATOM 0 HG LEU A 64 1.449 -8.842 1.723 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.384 -7.270 2.379 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.267 -6.860 0.774 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.285 -7.720 0.912 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.406 -9.626 3.165 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.332 -10.092 1.718 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.188 -10.930 2.110 1.00 10.00 H new ATOM 978 N GLY A 65 2.219 -10.749 -2.783 1.00 10.00 N ATOM 979 CA GLY A 65 2.249 -11.414 -4.079 1.00 10.00 C ATOM 980 C GLY A 65 2.014 -10.419 -5.212 1.00 10.00 C ATOM 981 O GLY A 65 2.843 -10.280 -6.112 1.00 10.00 O ATOM 0 H GLY A 65 2.836 -9.938 -2.733 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.212 -11.906 -4.217 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.486 -12.192 -4.110 1.00 10.00 H new ATOM 985 N TYR A 66 0.865 -9.741 -5.179 1.00 10.00 N ATOM 986 CA TYR A 66 0.539 -8.688 -6.135 1.00 10.00 C ATOM 987 C TYR A 66 1.557 -7.554 -6.042 1.00 10.00 C ATOM 988 O TYR A 66 2.194 -7.371 -5.004 1.00 10.00 O ATOM 989 CB TYR A 66 -0.892 -8.172 -5.941 1.00 10.00 C ATOM 990 CG TYR A 66 -1.447 -8.291 -4.540 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.966 -7.450 -3.521 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.340 -9.333 -4.227 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.442 -7.601 -2.210 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.780 -9.504 -2.907 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.406 -8.582 -1.920 1.00 10.00 C ATOM 996 OH TYR A 66 -2.948 -8.681 -0.675 1.00 10.00 O ATOM 0 H TYR A 66 0.135 -9.909 -4.487 1.00 10.00 H new ATOM 0 HA TYR A 66 0.590 -9.113 -7.137 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.924 -7.123 -6.237 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.550 -8.715 -6.620 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.232 -6.690 -3.747 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.686 -10.000 -5.003 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -1.068 -6.963 -1.423 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.407 -10.346 -2.651 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.719 -8.080 -0.605 1.00 10.00 H new ATOM 1006 N LYS A 67 1.727 -6.808 -7.136 1.00 10.00 N ATOM 1007 CA LYS A 67 2.807 -5.834 -7.252 1.00 10.00 C ATOM 1008 C LYS A 67 2.270 -4.415 -7.262 1.00 10.00 C ATOM 1009 O LYS A 67 1.110 -4.189 -7.584 1.00 10.00 O ATOM 1010 CB LYS A 67 3.680 -6.151 -8.471 1.00 10.00 C ATOM 1011 CG LYS A 67 4.708 -7.190 -8.031 1.00 10.00 C ATOM 1012 CD LYS A 67 5.538 -7.736 -9.198 1.00 10.00 C ATOM 1013 CE LYS A 67 6.396 -8.940 -8.776 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.194 -8.693 -7.556 1.00 10.00 N ATOM 0 H LYS A 67 1.125 -6.863 -7.957 1.00 10.00 H new ATOM 0 HA LYS A 67 3.446 -5.908 -6.372 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.072 -6.534 -9.291 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.175 -5.250 -8.835 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.376 -6.744 -7.294 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.195 -8.016 -7.538 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.873 -8.031 -10.010 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.184 -6.948 -9.585 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.746 -9.799 -8.609 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.067 -9.203 -9.593 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.126 -9.144 -7.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 7.318 -7.669 -7.423 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.701 -9.092 -6.732 1.00 10.00 H new ATOM 1028 N LEU A 68 3.133 -3.479 -6.864 1.00 10.00 N ATOM 1029 CA LEU A 68 2.821 -2.100 -6.564 1.00 10.00 C ATOM 1030 C LEU A 68 3.904 -1.242 -7.203 1.00 10.00 C ATOM 1031 O LEU A 68 5.041 -1.693 -7.344 1.00 10.00 O ATOM 1032 CB LEU A 68 2.789 -1.919 -5.043 1.00 10.00 C ATOM 1033 CG LEU A 68 2.385 -0.525 -4.532 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.560 -0.670 -3.251 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.621 0.319 -4.188 1.00 10.00 C ATOM 0 H LEU A 68 4.124 -3.686 -6.738 1.00 10.00 H new ATOM 0 HA LEU A 68 1.847 -1.807 -6.957 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.097 -2.650 -4.626 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.778 -2.155 -4.649 1.00 10.00 H new ATOM 0 HG LEU A 68 1.813 -0.037 -5.321 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.274 0.317 -2.889 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.664 -1.254 -3.460 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.154 -1.177 -2.491 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.304 1.299 -3.830 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.199 -0.182 -3.412 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.238 0.440 -5.078 1.00 10.00 H new ATOM 1047 N LYS A 69 3.547 -0.020 -7.575 1.00 10.00 N ATOM 1048 CA LYS A 69 4.419 0.992 -8.151 1.00 10.00 C ATOM 1049 C LYS A 69 3.887 2.370 -7.759 1.00 10.00 C ATOM 1050 O LYS A 69 2.815 2.464 -7.177 1.00 10.00 O ATOM 1051 CB LYS A 69 4.478 0.854 -9.678 1.00 10.00 C ATOM 1052 CG LYS A 69 5.136 -0.455 -10.139 1.00 10.00 C ATOM 1053 CD LYS A 69 5.711 -0.331 -11.557 1.00 10.00 C ATOM 1054 CE LYS A 69 7.101 0.329 -11.526 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.644 0.560 -12.880 1.00 10.00 N ATOM 0 H LYS A 69 2.587 0.309 -7.477 1.00 10.00 H new ATOM 0 HA LYS A 69 5.432 0.863 -7.769 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.467 0.907 -10.081 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.031 1.697 -10.092 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.932 -0.726 -9.446 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.402 -1.260 -10.113 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.782 -1.318 -12.013 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.037 0.259 -12.178 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.037 1.279 -10.996 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.788 -0.304 -10.965 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.581 1.006 -12.807 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.731 -0.348 -13.379 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.003 1.186 -13.409 1.00 10.00 H new ATOM 1069 N LEU A 70 4.631 3.431 -8.063 1.00 10.00 N ATOM 1070 CA LEU A 70 4.282 4.801 -7.692 1.00 10.00 C ATOM 1071 C LEU A 70 3.179 5.369 -8.581 1.00 10.00 C ATOM 1072 O LEU A 70 3.067 4.998 -9.748 1.00 10.00 O ATOM 1073 CB LEU A 70 5.556 5.659 -7.657 1.00 10.00 C ATOM 1074 CG LEU A 70 5.404 7.190 -7.638 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.661 7.813 -7.018 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.251 7.784 -9.049 1.00 10.00 C ATOM 0 H LEU A 70 5.507 3.362 -8.582 1.00 10.00 H new ATOM 0 HA LEU A 70 3.856 4.809 -6.689 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.127 5.371 -6.774 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.158 5.395 -8.526 1.00 10.00 H new ATOM 0 HG LEU A 70 4.506 7.412 -7.062 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.559 8.898 -7.002 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.785 7.445 -6.000 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.533 7.539 -7.611 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.147 8.867 -8.979 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.132 7.542 -9.643 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.365 7.365 -9.526 1.00 10.00 H new ATOM 1088 N LYS A 71 2.387 6.287 -8.014 1.00 10.00 N ATOM 1089 CA LYS A 71 1.280 6.962 -8.687 1.00 10.00 C ATOM 1090 C LYS A 71 1.264 8.480 -8.488 1.00 10.00 C ATOM 1091 O LYS A 71 0.244 9.121 -8.709 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.051 6.317 -8.292 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.102 6.373 -9.406 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.869 5.239 -10.410 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.778 5.371 -11.640 1.00 10.00 C ATOM 1096 NZ LYS A 71 -1.617 4.229 -12.564 1.00 10.00 N ATOM 0 H LYS A 71 2.505 6.587 -7.046 1.00 10.00 H new ATOM 0 HA LYS A 71 1.434 6.826 -9.757 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.124 5.277 -8.018 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.442 6.818 -7.407 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.101 6.290 -8.978 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.052 7.335 -9.915 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.174 5.243 -10.727 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.051 4.280 -9.924 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.818 5.435 -11.319 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.548 6.299 -12.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -1.963 4.495 -13.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.611 3.970 -12.624 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.163 3.417 -12.211 1.00 10.00 H new ATOM 1110 N GLY A 72 2.404 9.068 -8.137 1.00 10.00 N ATOM 1111 CA GLY A 72 2.538 10.513 -8.029 1.00 10.00 C ATOM 1112 C GLY A 72 2.100 10.968 -6.644 1.00 10.00 C ATOM 1113 O GLY A 72 0.981 11.438 -6.450 1.00 10.00 O ATOM 0 H GLY A 72 3.258 8.555 -7.920 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.572 10.806 -8.208 1.00 10.00 H new ATOM 0 HA3 GLY A 72 1.932 11.002 -8.791 1.00 10.00 H new ATOM 1117 N GLU A 73 3.006 10.830 -5.676 1.00 10.00 N ATOM 1118 CA GLU A 73 2.784 11.175 -4.283 1.00 10.00 C ATOM 1119 C GLU A 73 2.772 12.699 -4.076 1.00 10.00 C ATOM 1120 O GLU A 73 3.623 13.252 -3.385 1.00 10.00 O ATOM 1121 CB GLU A 73 3.780 10.390 -3.400 1.00 10.00 C ATOM 1122 CG GLU A 73 5.257 10.375 -3.838 1.00 10.00 C ATOM 1123 CD GLU A 73 6.116 9.449 -2.972 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.537 8.575 -2.285 1.00 10.00 O ATOM 1125 OE2 GLU A 73 7.352 9.596 -3.058 1.00 10.00 O ATOM 0 H GLU A 73 3.942 10.463 -5.851 1.00 10.00 H new ATOM 0 HA GLU A 73 1.789 10.866 -3.964 1.00 10.00 H new ATOM 0 HB2 GLU A 73 3.732 10.801 -2.391 1.00 10.00 H new ATOM 0 HB3 GLU A 73 3.436 9.357 -3.340 1.00 10.00 H new ATOM 0 HG2 GLU A 73 5.321 10.057 -4.879 1.00 10.00 H new ATOM 0 HG3 GLU A 73 5.657 11.388 -3.789 1.00 10.00 H new ATOM 1132 N GLN A 74 1.783 13.372 -4.679 1.00 10.00 N ATOM 1133 CA GLN A 74 1.564 14.816 -4.601 1.00 10.00 C ATOM 1134 C GLN A 74 0.098 15.115 -4.252 1.00 10.00 C ATOM 1135 O GLN A 74 -0.437 16.147 -4.644 1.00 10.00 O ATOM 1136 CB GLN A 74 2.024 15.453 -5.926 1.00 10.00 C ATOM 1137 CG GLN A 74 2.117 16.990 -5.876 1.00 10.00 C ATOM 1138 CD GLN A 74 3.364 17.498 -6.599 1.00 10.00 C ATOM 1139 OE1 GLN A 74 4.476 17.280 -6.129 1.00 10.00 O ATOM 1140 NE2 GLN A 74 3.232 18.173 -7.736 1.00 10.00 N ATOM 0 H GLN A 74 1.087 12.902 -5.258 1.00 10.00 H new ATOM 0 HA GLN A 74 2.155 15.259 -3.799 1.00 10.00 H new ATOM 0 HB2 GLN A 74 3.000 15.048 -6.194 1.00 10.00 H new ATOM 0 HB3 GLN A 74 1.331 15.165 -6.717 1.00 10.00 H new ATOM 0 HG2 GLN A 74 1.228 17.425 -6.332 1.00 10.00 H new ATOM 0 HG3 GLN A 74 2.137 17.321 -4.838 1.00 10.00 H new ATOM 0 HE21 GLN A 74 2.303 18.350 -8.119 1.00 10.00 H new ATOM 0 HE22 GLN A 74 4.059 18.514 -8.225 1.00 10.00 H new ATOM 1149 N ASP A 75 -0.516 14.218 -3.471 1.00 10.00 N ATOM 1150 CA ASP A 75 -1.861 14.337 -2.920 1.00 10.00 C ATOM 1151 C ASP A 75 -2.957 14.151 -3.981 1.00 10.00 C ATOM 1152 O ASP A 75 -3.567 15.114 -4.439 1.00 10.00 O ATOM 1153 CB ASP A 75 -2.015 15.627 -2.095 1.00 10.00 C ATOM 1154 CG ASP A 75 -3.000 15.396 -0.972 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -4.228 15.348 -1.205 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -2.527 15.040 0.130 1.00 10.00 O ATOM 0 H ASP A 75 -0.061 13.348 -3.196 1.00 10.00 H new ATOM 0 HA ASP A 75 -2.003 13.508 -2.226 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -1.049 15.929 -1.689 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -2.360 16.440 -2.734 1.00 10.00 H new ATOM 1161 N SER A 76 -3.227 12.889 -4.341 1.00 10.00 N ATOM 1162 CA SER A 76 -4.240 12.498 -5.319 1.00 10.00 C ATOM 1163 C SER A 76 -3.874 13.038 -6.704 1.00 10.00 C ATOM 1164 O SER A 76 -4.533 13.945 -7.213 1.00 10.00 O ATOM 1165 CB SER A 76 -5.640 12.941 -4.873 1.00 10.00 C ATOM 1166 OG SER A 76 -5.940 12.418 -3.587 1.00 10.00 O ATOM 0 H SER A 76 -2.729 12.091 -3.945 1.00 10.00 H new ATOM 0 HA SER A 76 -4.264 11.410 -5.385 1.00 10.00 H new ATOM 0 HB2 SER A 76 -5.694 14.029 -4.851 1.00 10.00 H new ATOM 0 HB3 SER A 76 -6.383 12.599 -5.594 1.00 10.00 H new ATOM 0 HG SER A 76 -6.835 12.710 -3.316 1.00 10.00 H new ATOM 1172 N ILE A 77 -2.823 12.467 -7.303 1.00 10.00 N ATOM 1173 CA ILE A 77 -2.087 13.018 -8.436 1.00 10.00 C ATOM 1174 C ILE A 77 -1.935 14.546 -8.317 1.00 10.00 C ATOM 1175 O ILE A 77 -1.776 15.067 -7.217 1.00 10.00 O ATOM 1176 CB ILE A 77 -2.665 12.517 -9.782 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -4.096 13.012 -10.077 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -2.619 10.985 -9.831 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -4.471 12.849 -11.553 1.00 10.00 C ATOM 0 H ILE A 77 -2.450 11.569 -6.995 1.00 10.00 H new ATOM 0 HA ILE A 77 -1.066 12.637 -8.415 1.00 10.00 H new ATOM 0 HB ILE A 77 -2.033 12.944 -10.561 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -4.804 12.459 -9.461 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -4.181 14.062 -9.796 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -3.027 10.639 -10.781 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -1.587 10.649 -9.736 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -3.211 10.577 -9.012 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -5.487 13.211 -11.712 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -3.780 13.424 -12.170 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -4.413 11.796 -11.829 1.00 10.00 H new ATOM 1191 N GLU A 78 -1.973 15.257 -9.445 1.00 10.00 N ATOM 1192 CA GLU A 78 -2.148 16.693 -9.561 1.00 10.00 C ATOM 1193 C GLU A 78 -2.517 16.899 -11.033 1.00 10.00 C ATOM 1194 O GLU A 78 -1.926 16.232 -11.883 1.00 10.00 O ATOM 1195 CB GLU A 78 -0.843 17.414 -9.194 1.00 10.00 C ATOM 1196 CG GLU A 78 -1.023 18.937 -9.096 1.00 10.00 C ATOM 1197 CD GLU A 78 0.205 19.661 -9.624 1.00 10.00 C ATOM 1198 OE1 GLU A 78 1.298 19.344 -9.109 1.00 10.00 O ATOM 1199 OE2 GLU A 78 0.031 20.490 -10.541 1.00 10.00 O ATOM 0 H GLU A 78 -1.875 14.810 -10.357 1.00 10.00 H new ATOM 0 HA GLU A 78 -2.909 17.095 -8.891 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -0.476 17.032 -8.241 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -0.083 17.188 -9.942 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -1.902 19.241 -9.664 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -1.200 19.221 -8.059 1.00 10.00 H new ATOM 1206 N GLY A 79 -3.509 17.738 -11.348 1.00 10.00 N ATOM 1207 CA GLY A 79 -3.899 18.002 -12.729 1.00 10.00 C ATOM 1208 C GLY A 79 -5.407 18.200 -12.867 1.00 10.00 C ATOM 1209 O GLY A 79 -5.955 19.139 -12.292 1.00 10.00 O ATOM 0 H GLY A 79 -4.058 18.248 -10.656 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -3.382 18.891 -13.089 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -3.583 17.172 -13.361 1.00 10.00 H new ATOM 1213 N ARG A 80 -6.072 17.350 -13.658 1.00 10.00 N ATOM 1214 CA ARG A 80 -7.471 17.462 -14.038 1.00 10.00 C ATOM 1215 C ARG A 80 -7.865 16.108 -14.628 1.00 10.00 C ATOM 1216 O ARG A 80 -6.920 15.339 -14.920 1.00 10.00 O ATOM 1217 CB ARG A 80 -7.623 18.567 -15.097 1.00 10.00 C ATOM 1218 CG ARG A 80 -9.069 19.072 -15.238 1.00 10.00 C ATOM 1219 CD ARG A 80 -9.640 18.927 -16.657 1.00 10.00 C ATOM 1220 NE ARG A 80 -10.178 17.573 -16.876 1.00 10.00 N ATOM 1221 CZ ARG A 80 -9.612 16.559 -17.551 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -8.423 16.710 -18.144 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -10.260 15.393 -17.649 1.00 10.00 N ATOM 1224 OXT ARG A 80 -9.078 15.884 -14.835 1.00 10.00 O ATOM 0 H ARG A 80 -5.622 16.530 -14.065 1.00 10.00 H new ATOM 0 HA ARG A 80 -8.104 17.717 -13.188 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -6.976 19.404 -14.835 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -7.281 18.188 -16.060 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -9.705 18.524 -14.543 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -9.108 20.121 -14.946 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -10.428 19.664 -16.813 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -8.860 19.135 -17.389 1.00 10.00 H new ATOM 0 HE ARG A 80 -11.092 17.382 -16.465 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -7.934 17.604 -18.087 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -8.005 15.932 -18.653 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -11.175 15.280 -17.213 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -9.839 14.617 -18.159 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.372 -11.530 -4.974 1.00 10.00 CU