USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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+ 156:sc= 0.985 (180deg=0.121) USER MOD Single : A 2 MET CE :methyl -138:sc= -0.176 (180deg=-1.1) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.0811 X(o=0.081,f=-0.039) USER MOD Single : A 7 TYR OH : rot -110:sc= -1.07 USER MOD Single : A 9 THR OG1 : rot 150:sc= -0.0827 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0971 X(o=-0.097,f=-0.026) USER MOD Single : A 14 CYS SG : rot 180:sc=-0.00208 USER MOD Single : A 15 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -10.5! C(o=-11!,f=-24!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.371) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.0342 (180deg=-0.573) USER MOD Single : A 40 MET CE :methyl -159:sc= -0.0198 (180deg=-0.25) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0292) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.211 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.234 -10.677 -8.558 1.00 0.00 N ATOM 2 CA MET A 1 4.746 -9.281 -8.574 1.00 0.00 C ATOM 3 C MET A 1 3.606 -8.274 -8.481 1.00 0.00 C ATOM 4 O MET A 1 3.248 -7.640 -9.474 1.00 0.00 O ATOM 5 CB MET A 1 5.535 -9.069 -9.868 1.00 0.00 C ATOM 6 CG MET A 1 6.127 -7.675 -9.998 1.00 0.00 C ATOM 7 SD MET A 1 7.401 -7.578 -11.270 1.00 0.00 S ATOM 8 CE MET A 1 8.864 -7.969 -10.313 1.00 0.00 C ATOM 0 H1 MET A 1 4.925 -11.306 -9.014 1.00 0.00 H new ATOM 0 H2 MET A 1 4.086 -10.981 -7.575 1.00 0.00 H new ATOM 0 H3 MET A 1 3.332 -10.722 -9.074 1.00 0.00 H new ATOM 0 HA MET A 1 5.391 -9.125 -7.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.340 -9.803 -9.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.880 -9.257 -10.718 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.332 -6.967 -10.231 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.551 -7.374 -9.040 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.739 -7.949 -10.962 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.985 -7.234 -9.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.759 -8.962 -9.876 1.00 0.00 H new ATOM 20 N MET A 2 3.035 -8.123 -7.287 1.00 0.00 N ATOM 21 CA MET A 2 1.935 -7.182 -7.099 1.00 0.00 C ATOM 22 C MET A 2 2.465 -5.766 -6.866 1.00 0.00 C ATOM 23 O MET A 2 3.111 -5.489 -5.858 1.00 0.00 O ATOM 24 CB MET A 2 1.051 -7.624 -5.931 1.00 0.00 C ATOM 25 CG MET A 2 -0.434 -7.601 -6.253 1.00 0.00 C ATOM 26 SD MET A 2 -1.462 -7.936 -4.810 1.00 0.00 S ATOM 27 CE MET A 2 -2.823 -6.807 -5.098 1.00 0.00 C ATOM 0 H MET A 2 3.311 -8.632 -6.448 1.00 0.00 H new ATOM 0 HA MET A 2 1.332 -7.173 -8.007 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.335 -8.633 -5.633 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.240 -6.974 -5.076 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.698 -6.627 -6.664 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.646 -8.341 -7.025 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.100 -6.324 -4.161 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.521 -6.049 -5.821 1.00 0.00 H new ATOM 0 HE3 MET A 2 -3.678 -7.360 -5.488 1.00 0.00 H new ATOM 37 N LYS A 3 2.190 -4.871 -7.809 1.00 0.00 N ATOM 38 CA LYS A 3 2.645 -3.487 -7.702 1.00 0.00 C ATOM 39 C LYS A 3 1.903 -2.752 -6.591 1.00 0.00 C ATOM 40 O LYS A 3 0.687 -2.573 -6.655 1.00 0.00 O ATOM 41 CB LYS A 3 2.443 -2.759 -9.032 1.00 0.00 C ATOM 42 CG LYS A 3 3.557 -3.007 -10.036 1.00 0.00 C ATOM 43 CD LYS A 3 3.273 -2.324 -11.364 1.00 0.00 C ATOM 44 CE LYS A 3 3.587 -3.236 -12.539 1.00 0.00 C ATOM 45 NZ LYS A 3 2.391 -4.009 -12.976 1.00 0.00 N ATOM 0 H LYS A 3 1.656 -5.077 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 3 3.707 -3.499 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.495 -3.073 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.367 -1.688 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.501 -2.641 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.673 -4.079 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.225 -2.025 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.867 -1.413 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.959 -2.640 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.384 -3.926 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.646 -4.619 -13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.051 -4.597 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.639 -3.351 -13.266 1.00 0.00 H new ATOM 59 N ILE A 4 2.646 -2.332 -5.572 1.00 0.00 N ATOM 60 CA ILE A 4 2.059 -1.619 -4.445 1.00 0.00 C ATOM 61 C ILE A 4 2.735 -0.269 -4.225 1.00 0.00 C ATOM 62 O ILE A 4 3.958 -0.178 -4.125 1.00 0.00 O ATOM 63 CB ILE A 4 2.148 -2.454 -3.150 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.271 -3.697 -3.262 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.745 -1.626 -1.940 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.059 -4.979 -3.247 1.00 0.00 C ATOM 0 H ILE A 4 3.654 -2.473 -5.504 1.00 0.00 H new ATOM 0 HA ILE A 4 1.010 -1.450 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 4 3.184 -2.766 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.558 -3.706 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.692 -3.644 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.816 -2.238 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.410 -0.767 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.719 -1.279 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.378 -5.826 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.754 -4.989 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.617 -5.052 -2.314 1.00 0.00 H new ATOM 78 N GLN A 5 1.919 0.773 -4.147 1.00 0.00 N ATOM 79 CA GLN A 5 2.414 2.128 -3.932 1.00 0.00 C ATOM 80 C GLN A 5 2.016 2.632 -2.546 1.00 0.00 C ATOM 81 O GLN A 5 0.915 2.344 -2.072 1.00 0.00 O ATOM 82 CB GLN A 5 1.864 3.060 -5.009 1.00 0.00 C ATOM 83 CG GLN A 5 2.521 2.873 -6.368 1.00 0.00 C ATOM 84 CD GLN A 5 1.510 2.727 -7.490 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.595 3.412 -8.509 1.00 0.00 O ATOM 86 NE2 GLN A 5 0.547 1.832 -7.307 1.00 0.00 N ATOM 0 H GLN A 5 0.905 0.706 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 5 3.502 2.115 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.791 2.895 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.000 4.093 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.168 3.726 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.158 1.989 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.515 1.286 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.161 1.690 -8.027 1.00 0.00 H new ATOM 95 N ILE A 6 2.906 3.393 -1.902 1.00 0.00 N ATOM 96 CA ILE A 6 2.624 3.928 -0.576 1.00 0.00 C ATOM 97 C ILE A 6 2.843 5.430 -0.554 1.00 0.00 C ATOM 98 O ILE A 6 3.973 5.906 -0.660 1.00 0.00 O ATOM 99 CB ILE A 6 3.498 3.266 0.508 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.962 3.230 0.067 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.988 1.863 0.811 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.877 2.537 1.055 1.00 0.00 C ATOM 0 H ILE A 6 3.819 3.648 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 6 1.580 3.705 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 6 3.434 3.859 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.030 2.723 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.312 4.251 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.614 1.406 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.959 1.919 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.026 1.259 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.899 2.550 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.839 3.057 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.553 1.505 1.189 1.00 0.00 H new ATOM 114 N TYR A 7 1.753 6.175 -0.439 1.00 0.00 N ATOM 115 CA TYR A 7 1.827 7.624 -0.432 1.00 0.00 C ATOM 116 C TYR A 7 1.745 8.185 0.979 1.00 0.00 C ATOM 117 O TYR A 7 0.701 8.124 1.629 1.00 0.00 O ATOM 118 CB TYR A 7 0.722 8.199 -1.325 1.00 0.00 C ATOM 119 CG TYR A 7 0.739 7.645 -2.740 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.827 6.921 -3.225 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.340 7.823 -3.589 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.837 6.402 -4.500 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.337 7.300 -4.861 1.00 0.00 C ATOM 124 CZ TYR A 7 0.751 6.590 -5.314 1.00 0.00 C ATOM 125 OH TYR A 7 0.751 6.068 -6.586 1.00 0.00 O ATOM 0 H TYR A 7 0.809 5.798 -0.350 1.00 0.00 H new ATOM 0 HA TYR A 7 2.796 7.923 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.247 7.989 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.826 9.283 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.683 6.763 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.198 8.382 -3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.695 5.851 -4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.191 7.447 -5.506 1.00 0.00 H new ATOM 0 HH TYR A 7 0.815 6.796 -7.239 1.00 0.00 H new ATOM 135 N GLY A 8 2.865 8.733 1.446 1.00 0.00 N ATOM 136 CA GLY A 8 2.914 9.300 2.780 1.00 0.00 C ATOM 137 C GLY A 8 4.285 9.840 3.131 1.00 0.00 C ATOM 138 O GLY A 8 4.461 11.048 3.298 1.00 0.00 O ATOM 0 H GLY A 8 3.738 8.794 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.180 10.102 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.631 8.538 3.506 1.00 0.00 H new ATOM 142 N THR A 9 5.260 8.943 3.241 1.00 0.00 N ATOM 143 CA THR A 9 6.629 9.330 3.572 1.00 0.00 C ATOM 144 C THR A 9 6.760 9.695 5.048 1.00 0.00 C ATOM 145 O THR A 9 6.775 10.872 5.407 1.00 0.00 O ATOM 146 CB THR A 9 7.106 10.519 2.716 1.00 0.00 C ATOM 147 OG1 THR A 9 6.695 10.340 1.355 1.00 0.00 O ATOM 148 CG2 THR A 9 8.620 10.657 2.779 1.00 0.00 C ATOM 0 H THR A 9 5.128 7.941 3.106 1.00 0.00 H new ATOM 0 HA THR A 9 7.257 8.465 3.358 1.00 0.00 H new ATOM 0 HB THR A 9 6.656 11.429 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.552 11.216 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.934 11.503 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.928 10.822 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.084 9.745 2.403 1.00 0.00 H new ATOM 156 N GLY A 10 6.859 8.677 5.897 1.00 0.00 N ATOM 157 CA GLY A 10 6.994 8.910 7.323 1.00 0.00 C ATOM 158 C GLY A 10 5.702 9.373 7.969 1.00 0.00 C ATOM 159 O GLY A 10 5.156 8.691 8.835 1.00 0.00 O ATOM 0 H GLY A 10 6.848 7.695 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.328 7.992 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.768 9.659 7.492 1.00 0.00 H new ATOM 163 N CYS A 11 5.212 10.537 7.548 1.00 0.00 N ATOM 164 CA CYS A 11 3.978 11.093 8.094 1.00 0.00 C ATOM 165 C CYS A 11 2.851 10.063 8.074 1.00 0.00 C ATOM 166 O CYS A 11 2.436 9.561 9.119 1.00 0.00 O ATOM 167 CB CYS A 11 3.563 12.337 7.304 1.00 0.00 C ATOM 168 SG CYS A 11 3.994 13.899 8.109 1.00 0.00 S ATOM 0 H CYS A 11 5.652 11.113 6.830 1.00 0.00 H new ATOM 0 HA CYS A 11 4.166 11.372 9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.034 12.305 6.322 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.485 12.309 7.142 1.00 0.00 H new ATOM 0 HG CYS A 11 3.606 14.892 7.365 1.00 0.00 H new ATOM 174 N ALA A 12 2.361 9.753 6.879 1.00 0.00 N ATOM 175 CA ALA A 12 1.282 8.784 6.723 1.00 0.00 C ATOM 176 C ALA A 12 1.667 7.434 7.324 1.00 0.00 C ATOM 177 O ALA A 12 2.837 7.051 7.318 1.00 0.00 O ATOM 178 CB ALA A 12 0.921 8.632 5.254 1.00 0.00 C ATOM 0 H ALA A 12 2.694 10.158 6.004 1.00 0.00 H new ATOM 0 HA ALA A 12 0.409 9.154 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.114 7.906 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.596 9.594 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.793 8.287 4.699 1.00 0.00 H new ATOM 184 N ASN A 13 0.674 6.719 7.847 1.00 0.00 N ATOM 185 CA ASN A 13 0.902 5.412 8.458 1.00 0.00 C ATOM 186 C ASN A 13 1.112 4.312 7.413 1.00 0.00 C ATOM 187 O ASN A 13 1.007 3.127 7.727 1.00 0.00 O ATOM 188 CB ASN A 13 -0.274 5.041 9.365 1.00 0.00 C ATOM 189 CG ASN A 13 -0.673 6.176 10.289 1.00 0.00 C ATOM 190 OD1 ASN A 13 -1.853 6.500 10.420 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.313 6.785 10.937 1.00 0.00 N ATOM 0 H ASN A 13 -0.299 7.024 7.860 1.00 0.00 H new ATOM 0 HA ASN A 13 1.816 5.488 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.129 4.759 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.008 4.168 9.961 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.106 7.555 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.277 6.483 10.798 1.00 0.00 H new ATOM 198 N CYS A 14 1.410 4.700 6.174 1.00 0.00 N ATOM 199 CA CYS A 14 1.629 3.725 5.102 1.00 0.00 C ATOM 200 C CYS A 14 2.717 2.719 5.482 1.00 0.00 C ATOM 201 O CYS A 14 2.780 1.621 4.928 1.00 0.00 O ATOM 202 CB CYS A 14 2.016 4.435 3.800 1.00 0.00 C ATOM 203 SG CYS A 14 3.243 5.748 4.004 1.00 0.00 S ATOM 0 H CYS A 14 1.505 5.674 5.887 1.00 0.00 H new ATOM 0 HA CYS A 14 0.694 3.184 4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.405 3.696 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.118 4.859 3.351 1.00 0.00 H new ATOM 0 HG CYS A 14 3.503 6.283 2.848 1.00 0.00 H new ATOM 209 N GLN A 15 3.572 3.106 6.423 1.00 0.00 N ATOM 210 CA GLN A 15 4.660 2.255 6.880 1.00 0.00 C ATOM 211 C GLN A 15 4.135 0.923 7.422 1.00 0.00 C ATOM 212 O GLN A 15 4.756 -0.122 7.226 1.00 0.00 O ATOM 213 CB GLN A 15 5.464 3.012 7.945 1.00 0.00 C ATOM 214 CG GLN A 15 5.425 2.389 9.336 1.00 0.00 C ATOM 215 CD GLN A 15 6.223 3.183 10.352 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.091 2.642 11.036 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.930 4.474 10.456 1.00 0.00 N ATOM 0 H GLN A 15 3.529 4.013 6.887 1.00 0.00 H new ATOM 0 HA GLN A 15 5.310 2.016 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.502 3.076 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.086 4.033 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.390 2.316 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.816 1.373 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.202 4.881 9.868 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.433 5.059 11.124 1.00 0.00 H new ATOM 226 N MET A 16 2.996 0.968 8.105 1.00 0.00 N ATOM 227 CA MET A 16 2.401 -0.238 8.675 1.00 0.00 C ATOM 228 C MET A 16 1.991 -1.214 7.576 1.00 0.00 C ATOM 229 O MET A 16 2.506 -2.329 7.498 1.00 0.00 O ATOM 230 CB MET A 16 1.183 0.123 9.528 1.00 0.00 C ATOM 231 CG MET A 16 1.531 0.489 10.962 1.00 0.00 C ATOM 232 SD MET A 16 0.878 2.098 11.452 1.00 0.00 S ATOM 233 CE MET A 16 2.250 2.743 12.405 1.00 0.00 C ATOM 0 H MET A 16 2.467 1.823 8.278 1.00 0.00 H new ATOM 0 HA MET A 16 3.150 -0.719 9.305 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.661 0.960 9.065 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.492 -0.720 9.534 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.140 -0.276 11.632 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.615 0.491 11.079 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.999 3.736 12.778 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.452 2.080 13.246 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.135 2.806 11.772 1.00 0.00 H new ATOM 243 N LEU A 17 1.063 -0.783 6.730 1.00 0.00 N ATOM 244 CA LEU A 17 0.578 -1.611 5.631 1.00 0.00 C ATOM 245 C LEU A 17 1.723 -1.996 4.704 1.00 0.00 C ATOM 246 O LEU A 17 1.753 -3.100 4.166 1.00 0.00 O ATOM 247 CB LEU A 17 -0.502 -0.852 4.849 1.00 0.00 C ATOM 248 CG LEU A 17 -1.470 -1.710 4.026 1.00 0.00 C ATOM 249 CD1 LEU A 17 -0.802 -2.222 2.758 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.012 -2.864 4.855 1.00 0.00 C ATOM 0 H LEU A 17 0.629 0.139 6.784 1.00 0.00 H new ATOM 0 HA LEU A 17 0.149 -2.524 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.084 -0.260 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.009 -0.151 4.176 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.310 -1.080 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.510 -2.828 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.481 -1.377 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.064 -2.829 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.696 -3.458 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.186 -3.491 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.543 -2.471 5.722 1.00 0.00 H new ATOM 262 N GLU A 18 2.662 -1.078 4.519 1.00 0.00 N ATOM 263 CA GLU A 18 3.813 -1.345 3.641 1.00 0.00 C ATOM 264 C GLU A 18 4.565 -2.592 4.101 1.00 0.00 C ATOM 265 O GLU A 18 5.000 -3.403 3.282 1.00 0.00 O ATOM 266 CB GLU A 18 4.791 -0.154 3.573 1.00 0.00 C ATOM 267 CG GLU A 18 5.980 -0.409 2.660 1.00 0.00 C ATOM 268 CD GLU A 18 7.128 0.548 2.919 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.260 1.020 4.067 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.895 0.825 1.973 1.00 0.00 O ATOM 0 H GLU A 18 2.659 -0.155 4.953 1.00 0.00 H new ATOM 0 HA GLU A 18 3.409 -1.505 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.255 0.729 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.153 0.069 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.327 -1.433 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.662 -0.317 1.621 1.00 0.00 H new ATOM 277 N LYS A 19 4.724 -2.735 5.413 1.00 0.00 N ATOM 278 CA LYS A 19 5.433 -3.876 5.982 1.00 0.00 C ATOM 279 C LYS A 19 4.608 -5.161 5.900 1.00 0.00 C ATOM 280 O LYS A 19 5.091 -6.188 5.419 1.00 0.00 O ATOM 281 CB LYS A 19 5.805 -3.591 7.440 1.00 0.00 C ATOM 282 CG LYS A 19 7.210 -4.040 7.807 1.00 0.00 C ATOM 283 CD LYS A 19 7.494 -3.831 9.285 1.00 0.00 C ATOM 284 CE LYS A 19 8.917 -3.346 9.517 1.00 0.00 C ATOM 285 NZ LYS A 19 9.027 -1.866 9.389 1.00 0.00 N ATOM 0 H LYS A 19 4.370 -2.073 6.104 1.00 0.00 H new ATOM 0 HA LYS A 19 6.339 -4.024 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.714 -2.521 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.090 -4.091 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.333 -5.094 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.937 -3.485 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.790 -3.105 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.335 -4.766 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.247 -3.650 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.585 -3.823 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.012 -1.576 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.737 -1.578 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.409 -1.410 10.091 1.00 0.00 H new ATOM 299 N ASN A 20 3.368 -5.105 6.383 1.00 0.00 N ATOM 300 CA ASN A 20 2.501 -6.285 6.367 1.00 0.00 C ATOM 301 C ASN A 20 2.186 -6.713 4.938 1.00 0.00 C ATOM 302 O ASN A 20 2.084 -7.904 4.643 1.00 0.00 O ATOM 303 CB ASN A 20 1.201 -6.049 7.155 1.00 0.00 C ATOM 304 CG ASN A 20 0.374 -4.889 6.644 1.00 0.00 C ATOM 305 OD1 ASN A 20 0.314 -4.628 5.444 1.00 0.00 O ATOM 306 ND2 ASN A 20 -0.278 -4.192 7.569 1.00 0.00 N ATOM 0 H ASN A 20 2.944 -4.269 6.785 1.00 0.00 H new ATOM 0 HA ASN A 20 3.047 -7.090 6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.597 -6.956 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.449 -5.872 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.860 -3.401 7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.196 -4.448 8.553 1.00 0.00 H new ATOM 313 N ALA A 21 2.031 -5.737 4.056 1.00 0.00 N ATOM 314 CA ALA A 21 1.727 -6.012 2.658 1.00 0.00 C ATOM 315 C ALA A 21 2.848 -6.802 1.983 1.00 0.00 C ATOM 316 O ALA A 21 2.587 -7.752 1.248 1.00 0.00 O ATOM 317 CB ALA A 21 1.472 -4.715 1.911 1.00 0.00 C ATOM 0 H ALA A 21 2.111 -4.746 4.283 1.00 0.00 H new ATOM 0 HA ALA A 21 0.826 -6.624 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.246 -4.934 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.628 -4.194 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.359 -4.084 1.965 1.00 0.00 H new ATOM 323 N ARG A 22 4.096 -6.403 2.225 1.00 0.00 N ATOM 324 CA ARG A 22 5.244 -7.078 1.629 1.00 0.00 C ATOM 325 C ARG A 22 5.277 -8.554 2.011 1.00 0.00 C ATOM 326 O ARG A 22 5.507 -9.418 1.165 1.00 0.00 O ATOM 327 CB ARG A 22 6.546 -6.392 2.063 1.00 0.00 C ATOM 328 CG ARG A 22 7.292 -5.720 0.923 1.00 0.00 C ATOM 329 CD ARG A 22 8.780 -5.617 1.213 1.00 0.00 C ATOM 330 NE ARG A 22 9.401 -6.930 1.366 1.00 0.00 N ATOM 331 CZ ARG A 22 10.704 -7.115 1.563 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.526 -6.075 1.632 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.187 -8.343 1.693 1.00 0.00 N ATOM 0 H ARG A 22 4.336 -5.617 2.829 1.00 0.00 H new ATOM 0 HA ARG A 22 5.148 -7.011 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.317 -5.647 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.199 -7.132 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.138 -6.285 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.883 -4.723 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.270 -5.076 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.933 -5.036 2.122 1.00 0.00 H new ATOM 0 HE ARG A 22 8.801 -7.753 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.160 -5.128 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.524 -6.223 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.560 -9.146 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.186 -8.485 1.844 1.00 0.00 H new ATOM 347 N GLU A 23 5.051 -8.841 3.287 1.00 0.00 N ATOM 348 CA GLU A 23 5.065 -10.218 3.762 1.00 0.00 C ATOM 349 C GLU A 23 3.839 -10.981 3.269 1.00 0.00 C ATOM 350 O GLU A 23 3.956 -12.097 2.769 1.00 0.00 O ATOM 351 CB GLU A 23 5.128 -10.255 5.291 1.00 0.00 C ATOM 352 CG GLU A 23 3.970 -9.542 5.970 1.00 0.00 C ATOM 353 CD GLU A 23 4.079 -9.561 7.482 1.00 0.00 C ATOM 354 OE1 GLU A 23 4.904 -8.797 8.028 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.341 -10.339 8.121 1.00 0.00 O ATOM 0 H GLU A 23 4.857 -8.144 4.006 1.00 0.00 H new ATOM 0 HA GLU A 23 5.954 -10.703 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.146 -11.294 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.064 -9.801 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.932 -8.509 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.033 -10.012 5.671 1.00 0.00 H new ATOM 362 N ALA A 24 2.666 -10.376 3.416 1.00 0.00 N ATOM 363 CA ALA A 24 1.418 -11.005 2.993 1.00 0.00 C ATOM 364 C ALA A 24 1.386 -11.255 1.488 1.00 0.00 C ATOM 365 O ALA A 24 1.075 -12.360 1.044 1.00 0.00 O ATOM 366 CB ALA A 24 0.232 -10.151 3.410 1.00 0.00 C ATOM 0 H ALA A 24 2.552 -9.449 3.826 1.00 0.00 H new ATOM 0 HA ALA A 24 1.356 -11.975 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.693 -10.631 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.226 -10.041 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.311 -9.168 2.946 1.00 0.00 H new ATOM 372 N VAL A 25 1.700 -10.230 0.703 1.00 0.00 N ATOM 373 CA VAL A 25 1.688 -10.358 -0.751 1.00 0.00 C ATOM 374 C VAL A 25 2.544 -11.546 -1.200 1.00 0.00 C ATOM 375 O VAL A 25 2.055 -12.439 -1.892 1.00 0.00 O ATOM 376 CB VAL A 25 2.172 -9.047 -1.447 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.651 -8.798 -1.197 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.879 -9.101 -2.939 1.00 0.00 C ATOM 0 H VAL A 25 1.965 -9.306 1.046 1.00 0.00 H new ATOM 0 HA VAL A 25 0.656 -10.537 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 25 1.621 -8.213 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.954 -7.878 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.828 -8.706 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.232 -9.632 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.222 -8.180 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.399 -9.951 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.806 -9.211 -3.095 1.00 0.00 H new ATOM 388 N LYS A 26 3.808 -11.566 -0.793 1.00 0.00 N ATOM 389 CA LYS A 26 4.705 -12.661 -1.150 1.00 0.00 C ATOM 390 C LYS A 26 4.293 -13.958 -0.449 1.00 0.00 C ATOM 391 O LYS A 26 4.332 -15.032 -1.049 1.00 0.00 O ATOM 392 CB LYS A 26 6.152 -12.307 -0.783 1.00 0.00 C ATOM 393 CG LYS A 26 7.157 -12.645 -1.873 1.00 0.00 C ATOM 394 CD LYS A 26 8.193 -13.648 -1.390 1.00 0.00 C ATOM 395 CE LYS A 26 7.574 -15.015 -1.144 1.00 0.00 C ATOM 396 NZ LYS A 26 8.516 -16.119 -1.474 1.00 0.00 N ATOM 0 H LYS A 26 4.235 -10.840 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 26 4.637 -12.814 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.212 -11.241 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.426 -12.836 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.633 -13.051 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.658 -11.734 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.989 -13.736 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.652 -13.284 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.273 -15.095 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.670 -15.117 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.056 -17.034 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.783 -16.059 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.368 -16.037 -0.883 1.00 0.00 H new ATOM 410 N GLU A 27 3.904 -13.851 0.823 1.00 0.00 N ATOM 411 CA GLU A 27 3.494 -15.021 1.601 1.00 0.00 C ATOM 412 C GLU A 27 2.294 -15.715 0.969 1.00 0.00 C ATOM 413 O GLU A 27 2.290 -16.935 0.800 1.00 0.00 O ATOM 414 CB GLU A 27 3.163 -14.622 3.041 1.00 0.00 C ATOM 415 CG GLU A 27 2.698 -15.783 3.905 1.00 0.00 C ATOM 416 CD GLU A 27 2.093 -15.329 5.219 1.00 0.00 C ATOM 417 OE1 GLU A 27 2.495 -14.258 5.719 1.00 0.00 O ATOM 418 OE2 GLU A 27 1.217 -16.045 5.749 1.00 0.00 O ATOM 0 H GLU A 27 3.864 -12.969 1.335 1.00 0.00 H new ATOM 0 HA GLU A 27 4.331 -15.720 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.046 -14.173 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.387 -13.857 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.962 -16.369 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.543 -16.441 4.107 1.00 0.00 H new ATOM 425 N LEU A 28 1.273 -14.936 0.616 1.00 0.00 N ATOM 426 CA LEU A 28 0.070 -15.492 0.000 1.00 0.00 C ATOM 427 C LEU A 28 0.422 -16.330 -1.228 1.00 0.00 C ATOM 428 O LEU A 28 -0.371 -17.160 -1.671 1.00 0.00 O ATOM 429 CB LEU A 28 -0.902 -14.374 -0.393 1.00 0.00 C ATOM 430 CG LEU A 28 -1.655 -13.705 0.765 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.906 -13.011 0.251 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.017 -14.719 1.842 1.00 0.00 C ATOM 0 H LEU A 28 1.254 -13.924 0.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.412 -16.137 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.345 -13.607 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.634 -14.783 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.996 -12.959 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.430 -12.541 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.627 -12.250 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.560 -13.743 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.550 -14.217 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.654 -15.493 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.107 -15.173 2.234 1.00 0.00 H new ATOM 444 N GLY A 29 1.616 -16.107 -1.771 1.00 0.00 N ATOM 445 CA GLY A 29 2.050 -16.850 -2.939 1.00 0.00 C ATOM 446 C GLY A 29 2.198 -15.970 -4.161 1.00 0.00 C ATOM 447 O GLY A 29 1.794 -16.349 -5.260 1.00 0.00 O ATOM 0 H GLY A 29 2.290 -15.425 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.003 -17.333 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.331 -17.642 -3.150 1.00 0.00 H new ATOM 451 N ILE A 30 2.783 -14.792 -3.969 1.00 0.00 N ATOM 452 CA ILE A 30 2.990 -13.852 -5.066 1.00 0.00 C ATOM 453 C ILE A 30 3.774 -12.627 -4.603 1.00 0.00 C ATOM 454 O ILE A 30 3.242 -11.761 -3.910 1.00 0.00 O ATOM 455 CB ILE A 30 1.654 -13.384 -5.688 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.529 -13.408 -4.649 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.293 -14.250 -6.886 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.611 -12.466 -4.974 1.00 0.00 C ATOM 0 H ILE A 30 3.122 -14.465 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 30 3.562 -14.388 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 30 1.779 -12.356 -6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.140 -14.423 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.940 -13.146 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.350 -13.907 -7.312 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.079 -14.177 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.191 -15.287 -6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.372 -12.534 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.235 -11.444 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.047 -12.741 -5.934 1.00 0.00 H new ATOM 470 N ASP A 31 5.038 -12.555 -5.006 1.00 0.00 N ATOM 471 CA ASP A 31 5.892 -11.435 -4.649 1.00 0.00 C ATOM 472 C ASP A 31 5.318 -10.144 -5.203 1.00 0.00 C ATOM 473 O ASP A 31 4.445 -10.167 -6.069 1.00 0.00 O ATOM 474 CB ASP A 31 7.309 -11.652 -5.184 1.00 0.00 C ATOM 475 CG ASP A 31 8.339 -10.805 -4.460 1.00 0.00 C ATOM 476 OD1 ASP A 31 7.946 -10.015 -3.576 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.540 -10.933 -4.777 1.00 0.00 O ATOM 0 H ASP A 31 5.492 -13.263 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 31 5.937 -11.365 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.574 -12.705 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.332 -11.416 -6.248 1.00 0.00 H new ATOM 482 N ALA A 32 5.800 -9.022 -4.698 1.00 0.00 N ATOM 483 CA ALA A 32 5.331 -7.731 -5.139 1.00 0.00 C ATOM 484 C ALA A 32 6.457 -6.727 -5.059 1.00 0.00 C ATOM 485 O ALA A 32 7.568 -7.058 -4.641 1.00 0.00 O ATOM 486 CB ALA A 32 4.151 -7.287 -4.294 1.00 0.00 C ATOM 0 H ALA A 32 6.521 -8.985 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 32 4.999 -7.801 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.805 -6.311 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.343 -8.012 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.457 -7.218 -3.250 1.00 0.00 H new ATOM 492 N GLU A 33 6.175 -5.502 -5.447 1.00 0.00 N ATOM 493 CA GLU A 33 7.179 -4.461 -5.398 1.00 0.00 C ATOM 494 C GLU A 33 6.583 -3.199 -4.797 1.00 0.00 C ATOM 495 O GLU A 33 5.717 -2.562 -5.397 1.00 0.00 O ATOM 496 CB GLU A 33 7.749 -4.173 -6.793 1.00 0.00 C ATOM 497 CG GLU A 33 6.853 -4.634 -7.935 1.00 0.00 C ATOM 498 CD GLU A 33 7.169 -3.938 -9.244 1.00 0.00 C ATOM 499 OE1 GLU A 33 8.218 -3.264 -9.322 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.368 -4.067 -10.194 1.00 0.00 O ATOM 0 H GLU A 33 5.265 -5.203 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 33 8.000 -4.804 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.921 -3.101 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.719 -4.661 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.962 -5.711 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.812 -4.449 -7.672 1.00 0.00 H new ATOM 507 N PHE A 34 7.030 -2.856 -3.599 1.00 0.00 N ATOM 508 CA PHE A 34 6.514 -1.686 -2.911 1.00 0.00 C ATOM 509 C PHE A 34 7.420 -0.479 -3.084 1.00 0.00 C ATOM 510 O PHE A 34 8.518 -0.417 -2.532 1.00 0.00 O ATOM 511 CB PHE A 34 6.312 -2.001 -1.432 1.00 0.00 C ATOM 512 CG PHE A 34 5.428 -3.195 -1.214 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.890 -4.475 -1.481 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.131 -3.037 -0.760 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.073 -5.572 -1.297 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.311 -4.130 -0.573 1.00 0.00 C ATOM 517 CZ PHE A 34 3.781 -5.399 -0.841 1.00 0.00 C ATOM 0 H PHE A 34 7.746 -3.370 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 34 5.553 -1.431 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.281 -2.181 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.876 -1.134 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.900 -4.615 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.756 -2.046 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.443 -6.564 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.301 -3.992 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.140 -6.256 -0.694 1.00 0.00 H new ATOM 527 N GLU A 35 6.932 0.484 -3.854 1.00 0.00 N ATOM 528 CA GLU A 35 7.668 1.712 -4.111 1.00 0.00 C ATOM 529 C GLU A 35 6.998 2.887 -3.412 1.00 0.00 C ATOM 530 O GLU A 35 5.809 3.149 -3.610 1.00 0.00 O ATOM 531 CB GLU A 35 7.756 1.976 -5.615 1.00 0.00 C ATOM 532 CG GLU A 35 8.772 3.044 -5.984 1.00 0.00 C ATOM 533 CD GLU A 35 9.370 2.828 -7.361 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.623 1.659 -7.721 1.00 0.00 O ATOM 535 OE2 GLU A 35 9.585 3.827 -8.078 1.00 0.00 O ATOM 0 H GLU A 35 6.023 0.436 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 35 8.678 1.598 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.015 1.048 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.775 2.277 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.294 4.023 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.571 3.053 -5.242 1.00 0.00 H new ATOM 542 N LYS A 36 7.763 3.592 -2.590 1.00 0.00 N ATOM 543 CA LYS A 36 7.238 4.738 -1.863 1.00 0.00 C ATOM 544 C LYS A 36 7.469 6.021 -2.648 1.00 0.00 C ATOM 545 O LYS A 36 8.489 6.177 -3.319 1.00 0.00 O ATOM 546 CB LYS A 36 7.891 4.837 -0.485 1.00 0.00 C ATOM 547 CG LYS A 36 7.436 6.043 0.324 1.00 0.00 C ATOM 548 CD LYS A 36 8.561 7.046 0.516 1.00 0.00 C ATOM 549 CE LYS A 36 9.730 6.437 1.274 1.00 0.00 C ATOM 550 NZ LYS A 36 10.672 7.476 1.773 1.00 0.00 N ATOM 0 H LYS A 36 8.747 3.391 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 36 6.165 4.601 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.671 3.930 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.973 4.881 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.600 6.526 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.073 5.713 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.902 7.401 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.187 7.914 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.353 5.855 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.264 5.746 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.573 7.029 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.841 8.179 1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.261 7.947 2.604 1.00 0.00 H new ATOM 564 N ILE A 37 6.514 6.937 -2.561 1.00 0.00 N ATOM 565 CA ILE A 37 6.612 8.208 -3.265 1.00 0.00 C ATOM 566 C ILE A 37 6.620 9.367 -2.271 1.00 0.00 C ATOM 567 O ILE A 37 6.387 9.172 -1.078 1.00 0.00 O ATOM 568 CB ILE A 37 5.446 8.382 -4.288 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.361 9.319 -3.750 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.835 7.033 -4.645 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.832 8.899 -2.405 1.00 0.00 C ATOM 0 H ILE A 37 5.663 6.824 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 37 7.550 8.211 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 37 5.868 8.830 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.765 10.328 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.537 9.357 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.024 7.178 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.599 6.393 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.444 6.561 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.067 9.603 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.399 7.901 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.647 8.888 -1.681 1.00 0.00 H new ATOM 583 N LYS A 38 6.864 10.569 -2.770 1.00 0.00 N ATOM 584 CA LYS A 38 6.872 11.754 -1.926 1.00 0.00 C ATOM 585 C LYS A 38 6.577 12.989 -2.763 1.00 0.00 C ATOM 586 O LYS A 38 7.470 13.776 -3.078 1.00 0.00 O ATOM 587 CB LYS A 38 8.213 11.894 -1.205 1.00 0.00 C ATOM 588 CG LYS A 38 8.323 13.154 -0.361 1.00 0.00 C ATOM 589 CD LYS A 38 9.342 14.127 -0.933 1.00 0.00 C ATOM 590 CE LYS A 38 10.114 14.837 0.167 1.00 0.00 C ATOM 591 NZ LYS A 38 9.220 15.302 1.265 1.00 0.00 N ATOM 0 H LYS A 38 7.059 10.750 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 38 6.094 11.652 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.365 11.024 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.015 11.890 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.349 13.640 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.607 12.887 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.037 13.590 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.834 14.863 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.868 14.163 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.644 15.691 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.637 16.139 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.289 15.549 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.110 14.543 1.968 1.00 0.00 H new ATOM 605 N GLU A 39 5.303 13.135 -3.120 1.00 0.00 N ATOM 606 CA GLU A 39 4.823 14.251 -3.935 1.00 0.00 C ATOM 607 C GLU A 39 3.518 13.857 -4.615 1.00 0.00 C ATOM 608 O GLU A 39 3.395 12.748 -5.134 1.00 0.00 O ATOM 609 CB GLU A 39 5.858 14.653 -4.992 1.00 0.00 C ATOM 610 CG GLU A 39 6.657 15.892 -4.620 1.00 0.00 C ATOM 611 CD GLU A 39 6.516 17.006 -5.639 1.00 0.00 C ATOM 612 OE1 GLU A 39 6.321 16.697 -6.833 1.00 0.00 O ATOM 613 OE2 GLU A 39 6.602 18.187 -5.242 1.00 0.00 O ATOM 0 H GLU A 39 4.570 12.479 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 39 4.658 15.108 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.545 13.822 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.348 14.830 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.328 16.253 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.709 15.625 -4.522 1.00 0.00 H new ATOM 620 N MET A 40 2.541 14.758 -4.608 1.00 0.00 N ATOM 621 CA MET A 40 1.247 14.475 -5.221 1.00 0.00 C ATOM 622 C MET A 40 1.399 14.029 -6.671 1.00 0.00 C ATOM 623 O MET A 40 0.503 13.390 -7.221 1.00 0.00 O ATOM 624 CB MET A 40 0.336 15.701 -5.141 1.00 0.00 C ATOM 625 CG MET A 40 0.993 16.982 -5.630 1.00 0.00 C ATOM 626 SD MET A 40 1.435 18.097 -4.283 1.00 0.00 S ATOM 627 CE MET A 40 -0.187 18.610 -3.722 1.00 0.00 C ATOM 0 H MET A 40 2.619 15.684 -4.188 1.00 0.00 H new ATOM 0 HA MET A 40 0.792 13.656 -4.663 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.562 15.515 -5.731 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.016 15.838 -4.108 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.889 16.732 -6.198 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.316 17.495 -6.313 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.102 19.548 -3.173 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.842 18.751 -4.582 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.605 17.844 -3.069 1.00 0.00 H new ATOM 637 N ASP A 41 2.532 14.350 -7.291 1.00 0.00 N ATOM 638 CA ASP A 41 2.769 13.949 -8.673 1.00 0.00 C ATOM 639 C ASP A 41 2.516 12.453 -8.820 1.00 0.00 C ATOM 640 O ASP A 41 1.847 12.009 -9.752 1.00 0.00 O ATOM 641 CB ASP A 41 4.201 14.289 -9.094 1.00 0.00 C ATOM 642 CG ASP A 41 4.283 15.598 -9.854 1.00 0.00 C ATOM 643 OD1 ASP A 41 3.261 16.007 -10.444 1.00 0.00 O ATOM 644 OD2 ASP A 41 5.370 16.213 -9.861 1.00 0.00 O ATOM 0 H ASP A 41 3.291 14.880 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 41 2.085 14.495 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.834 14.346 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.595 13.485 -9.716 1.00 0.00 H new ATOM 649 N GLN A 42 3.040 11.687 -7.868 1.00 0.00 N ATOM 650 CA GLN A 42 2.856 10.244 -7.856 1.00 0.00 C ATOM 651 C GLN A 42 1.554 9.882 -7.146 1.00 0.00 C ATOM 652 O GLN A 42 0.906 8.889 -7.476 1.00 0.00 O ATOM 653 CB GLN A 42 4.039 9.561 -7.166 1.00 0.00 C ATOM 654 CG GLN A 42 5.233 9.336 -8.081 1.00 0.00 C ATOM 655 CD GLN A 42 5.274 7.933 -8.652 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.578 6.971 -7.946 1.00 0.00 O ATOM 657 NE2 GLN A 42 4.969 7.808 -9.939 1.00 0.00 N ATOM 0 H GLN A 42 3.597 12.046 -7.093 1.00 0.00 H new ATOM 0 HA GLN A 42 2.803 9.894 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.353 10.168 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.711 8.601 -6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.200 10.056 -8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.152 9.525 -7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.723 8.632 -10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.981 6.888 -10.379 1.00 0.00 H new ATOM 666 N ILE A 43 1.182 10.699 -6.158 1.00 0.00 N ATOM 667 CA ILE A 43 -0.036 10.474 -5.386 1.00 0.00 C ATOM 668 C ILE A 43 -1.277 10.576 -6.260 1.00 0.00 C ATOM 669 O ILE A 43 -2.089 9.656 -6.334 1.00 0.00 O ATOM 670 CB ILE A 43 -0.152 11.491 -4.230 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.102 11.451 -3.355 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.393 11.233 -3.389 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.119 12.511 -2.277 1.00 0.00 C ATOM 0 H ILE A 43 1.711 11.524 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 43 0.029 9.465 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.244 12.485 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.179 10.469 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.981 11.573 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.446 11.966 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.281 11.318 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.343 10.230 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.037 12.424 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.074 13.498 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.259 12.376 -1.621 1.00 0.00 H new ATOM 685 N LEU A 44 -1.404 11.709 -6.915 1.00 0.00 N ATOM 686 CA LEU A 44 -2.539 11.977 -7.794 1.00 0.00 C ATOM 687 C LEU A 44 -2.569 10.999 -8.966 1.00 0.00 C ATOM 688 O LEU A 44 -3.640 10.573 -9.400 1.00 0.00 O ATOM 689 CB LEU A 44 -2.503 13.436 -8.284 1.00 0.00 C ATOM 690 CG LEU A 44 -2.057 13.664 -9.735 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.627 14.970 -10.266 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.539 13.669 -9.832 1.00 0.00 C ATOM 0 H LEU A 44 -0.730 12.473 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.457 11.832 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.500 13.860 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.836 13.998 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.438 12.846 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.302 15.117 -11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.716 14.933 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.273 15.798 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.241 13.832 -10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.137 14.468 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.149 12.711 -9.489 1.00 0.00 H new ATOM 704 N GLU A 45 -1.393 10.636 -9.471 1.00 0.00 N ATOM 705 CA GLU A 45 -1.303 9.698 -10.584 1.00 0.00 C ATOM 706 C GLU A 45 -2.022 8.399 -10.242 1.00 0.00 C ATOM 707 O GLU A 45 -2.464 7.665 -11.126 1.00 0.00 O ATOM 708 CB GLU A 45 0.161 9.413 -10.925 1.00 0.00 C ATOM 709 CG GLU A 45 0.381 9.024 -12.376 1.00 0.00 C ATOM 710 CD GLU A 45 0.131 10.173 -13.333 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.062 10.977 -13.552 1.00 0.00 O ATOM 712 OE2 GLU A 45 -0.996 10.271 -13.863 1.00 0.00 O ATOM 0 H GLU A 45 -0.494 10.975 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.784 10.147 -11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.757 10.298 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.526 8.611 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.403 8.668 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.279 8.195 -12.630 1.00 0.00 H new ATOM 719 N ALA A 46 -2.142 8.131 -8.946 1.00 0.00 N ATOM 720 CA ALA A 46 -2.812 6.937 -8.461 1.00 0.00 C ATOM 721 C ALA A 46 -4.319 7.103 -8.540 1.00 0.00 C ATOM 722 O ALA A 46 -5.041 6.184 -8.925 1.00 0.00 O ATOM 723 CB ALA A 46 -2.393 6.668 -7.029 1.00 0.00 C ATOM 0 H ALA A 46 -1.778 8.734 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.526 6.092 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.896 5.772 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.314 6.521 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.668 7.518 -6.404 1.00 0.00 H new ATOM 729 N GLY A 47 -4.785 8.288 -8.166 1.00 0.00 N ATOM 730 CA GLY A 47 -6.203 8.564 -8.191 1.00 0.00 C ATOM 731 C GLY A 47 -6.779 8.779 -6.803 1.00 0.00 C ATOM 732 O GLY A 47 -7.941 9.164 -6.664 1.00 0.00 O ATOM 0 H GLY A 47 -4.203 9.062 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.386 9.451 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.723 7.735 -8.672 1.00 0.00 H new ATOM 736 N LEU A 48 -5.971 8.535 -5.771 1.00 0.00 N ATOM 737 CA LEU A 48 -6.430 8.714 -4.398 1.00 0.00 C ATOM 738 C LEU A 48 -6.430 10.191 -4.011 1.00 0.00 C ATOM 739 O LEU A 48 -5.731 11.003 -4.617 1.00 0.00 O ATOM 740 CB LEU A 48 -5.588 7.878 -3.413 1.00 0.00 C ATOM 741 CG LEU A 48 -4.094 8.235 -3.239 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.222 7.015 -3.491 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.650 9.390 -4.128 1.00 0.00 C ATOM 0 H LEU A 48 -5.006 8.216 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.457 8.353 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.061 7.942 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.646 6.836 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.972 8.565 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.174 7.285 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.483 6.229 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.384 6.656 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.592 9.593 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.807 9.126 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.233 10.279 -3.887 1.00 0.00 H new ATOM 755 N THR A 49 -7.235 10.539 -3.011 1.00 0.00 N ATOM 756 CA THR A 49 -7.336 11.922 -2.561 1.00 0.00 C ATOM 757 C THR A 49 -6.822 12.094 -1.140 1.00 0.00 C ATOM 758 O THR A 49 -6.438 13.193 -0.737 1.00 0.00 O ATOM 759 CB THR A 49 -8.788 12.432 -2.636 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.540 11.636 -3.560 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.828 13.890 -3.069 1.00 0.00 C ATOM 0 H THR A 49 -7.825 9.884 -2.499 1.00 0.00 H new ATOM 0 HA THR A 49 -6.712 12.510 -3.234 1.00 0.00 H new ATOM 0 HB THR A 49 -9.229 12.351 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.462 11.965 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.863 14.228 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.279 14.498 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.370 13.990 -4.053 1.00 0.00 H new ATOM 769 N ALA A 50 -6.814 11.008 -0.381 1.00 0.00 N ATOM 770 CA ALA A 50 -6.342 11.053 0.996 1.00 0.00 C ATOM 771 C ALA A 50 -4.818 11.024 1.054 1.00 0.00 C ATOM 772 O ALA A 50 -4.153 10.806 0.041 1.00 0.00 O ATOM 773 CB ALA A 50 -6.925 9.899 1.787 1.00 0.00 C ATOM 0 H ALA A 50 -7.127 10.089 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.677 11.990 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.565 9.944 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.013 9.966 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.617 8.956 1.335 1.00 0.00 H new ATOM 779 N LEU A 51 -4.270 11.257 2.242 1.00 0.00 N ATOM 780 CA LEU A 51 -2.824 11.268 2.426 1.00 0.00 C ATOM 781 C LEU A 51 -2.230 9.861 2.341 1.00 0.00 C ATOM 782 O LEU A 51 -1.531 9.541 1.380 1.00 0.00 O ATOM 783 CB LEU A 51 -2.458 11.927 3.758 1.00 0.00 C ATOM 784 CG LEU A 51 -2.140 13.421 3.675 1.00 0.00 C ATOM 785 CD1 LEU A 51 -3.415 14.244 3.775 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.161 13.817 4.770 1.00 0.00 C ATOM 0 H LEU A 51 -4.805 11.441 3.091 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.394 11.854 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.284 11.785 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.595 11.410 4.177 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.677 13.622 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.169 15.304 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.084 13.979 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.906 14.039 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.945 14.883 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.599 13.601 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.237 13.251 4.654 1.00 0.00 H new ATOM 798 N PRO A 52 -2.490 8.997 3.341 1.00 0.00 N ATOM 799 CA PRO A 52 -1.960 7.631 3.346 1.00 0.00 C ATOM 800 C PRO A 52 -2.611 6.755 2.279 1.00 0.00 C ATOM 801 O PRO A 52 -3.230 5.737 2.587 1.00 0.00 O ATOM 802 CB PRO A 52 -2.303 7.116 4.746 1.00 0.00 C ATOM 803 CG PRO A 52 -3.475 7.928 5.175 1.00 0.00 C ATOM 804 CD PRO A 52 -3.310 9.278 4.534 1.00 0.00 C ATOM 0 HA PRO A 52 -0.893 7.608 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.544 6.053 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.464 7.241 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.408 7.460 4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.511 8.015 6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.272 9.715 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.816 9.982 5.203 1.00 0.00 H new ATOM 812 N GLY A 53 -2.466 7.159 1.020 1.00 0.00 N ATOM 813 CA GLY A 53 -3.041 6.401 -0.071 1.00 0.00 C ATOM 814 C GLY A 53 -2.156 5.255 -0.510 1.00 0.00 C ATOM 815 O GLY A 53 -0.969 5.445 -0.776 1.00 0.00 O ATOM 0 H GLY A 53 -1.960 7.999 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.012 6.010 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.217 7.065 -0.917 1.00 0.00 H new ATOM 819 N LEU A 54 -2.734 4.064 -0.590 1.00 0.00 N ATOM 820 CA LEU A 54 -1.992 2.883 -1.003 1.00 0.00 C ATOM 821 C LEU A 54 -2.640 2.256 -2.228 1.00 0.00 C ATOM 822 O LEU A 54 -3.716 1.665 -2.138 1.00 0.00 O ATOM 823 CB LEU A 54 -1.924 1.867 0.140 1.00 0.00 C ATOM 824 CG LEU A 54 -0.516 1.401 0.510 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.424 1.109 1.998 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.135 0.173 -0.298 1.00 0.00 C ATOM 0 H LEU A 54 -3.716 3.891 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.976 3.184 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.389 2.305 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.518 0.995 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 54 0.185 2.201 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.586 0.779 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.656 2.013 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.135 0.326 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.870 -0.146 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.841 -0.632 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.161 0.414 -1.361 1.00 0.00 H new ATOM 838 N ALA A 55 -1.986 2.394 -3.375 1.00 0.00 N ATOM 839 CA ALA A 55 -2.520 1.840 -4.611 1.00 0.00 C ATOM 840 C ALA A 55 -1.869 0.504 -4.942 1.00 0.00 C ATOM 841 O ALA A 55 -0.646 0.403 -5.037 1.00 0.00 O ATOM 842 CB ALA A 55 -2.332 2.821 -5.759 1.00 0.00 C ATOM 0 H ALA A 55 -1.094 2.880 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.587 1.668 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.737 2.391 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.855 3.750 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.270 3.025 -5.893 1.00 0.00 H new ATOM 848 N VAL A 56 -2.696 -0.520 -5.116 1.00 0.00 N ATOM 849 CA VAL A 56 -2.206 -1.852 -5.436 1.00 0.00 C ATOM 850 C VAL A 56 -2.655 -2.284 -6.820 1.00 0.00 C ATOM 851 O VAL A 56 -3.788 -2.032 -7.226 1.00 0.00 O ATOM 852 CB VAL A 56 -2.669 -2.901 -4.410 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.622 -3.057 -3.325 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.023 -2.530 -3.818 1.00 0.00 C ATOM 0 H VAL A 56 -3.711 -0.451 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.118 -1.793 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.789 -3.857 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.956 -3.801 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.681 -3.381 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.475 -2.102 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.325 -3.289 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.949 -1.564 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.765 -2.471 -4.615 1.00 0.00 H new ATOM 864 N ASP A 57 -1.750 -2.932 -7.543 1.00 0.00 N ATOM 865 CA ASP A 57 -2.040 -3.398 -8.896 1.00 0.00 C ATOM 866 C ASP A 57 -2.718 -2.299 -9.716 1.00 0.00 C ATOM 867 O ASP A 57 -3.472 -2.581 -10.647 1.00 0.00 O ATOM 868 CB ASP A 57 -2.932 -4.642 -8.847 1.00 0.00 C ATOM 869 CG ASP A 57 -2.242 -5.871 -9.406 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.022 -6.019 -9.186 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.923 -6.687 -10.064 1.00 0.00 O ATOM 0 H ASP A 57 -0.808 -3.148 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.097 -3.655 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.228 -4.833 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.845 -4.453 -9.411 1.00 0.00 H new ATOM 876 N GLY A 58 -2.449 -1.047 -9.354 1.00 0.00 N ATOM 877 CA GLY A 58 -3.044 0.074 -10.055 1.00 0.00 C ATOM 878 C GLY A 58 -4.498 0.278 -9.684 1.00 0.00 C ATOM 879 O GLY A 58 -5.313 0.662 -10.523 1.00 0.00 O ATOM 0 H GLY A 58 -1.828 -0.791 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.483 0.981 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.965 -0.089 -11.130 1.00 0.00 H new ATOM 883 N GLU A 59 -4.828 0.017 -8.423 1.00 0.00 N ATOM 884 CA GLU A 59 -6.195 0.170 -7.944 1.00 0.00 C ATOM 885 C GLU A 59 -6.220 0.660 -6.500 1.00 0.00 C ATOM 886 O GLU A 59 -5.987 -0.108 -5.567 1.00 0.00 O ATOM 887 CB GLU A 59 -6.946 -1.158 -8.055 1.00 0.00 C ATOM 888 CG GLU A 59 -8.453 -1.017 -7.920 1.00 0.00 C ATOM 889 CD GLU A 59 -9.138 -0.775 -9.251 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.502 -0.178 -10.144 1.00 0.00 O ATOM 891 OE2 GLU A 59 -10.309 -1.181 -9.400 1.00 0.00 O ATOM 0 H GLU A 59 -4.166 -0.302 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.688 0.916 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.717 -1.616 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.582 -1.837 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.859 -1.921 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.678 -0.192 -7.245 1.00 0.00 H new ATOM 898 N LEU A 60 -6.511 1.946 -6.326 1.00 0.00 N ATOM 899 CA LEU A 60 -6.576 2.545 -4.993 1.00 0.00 C ATOM 900 C LEU A 60 -7.539 1.767 -4.105 1.00 0.00 C ATOM 901 O LEU A 60 -8.652 1.444 -4.520 1.00 0.00 O ATOM 902 CB LEU A 60 -7.023 4.012 -5.077 1.00 0.00 C ATOM 903 CG LEU A 60 -6.305 4.882 -6.120 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.848 4.470 -6.283 1.00 0.00 C ATOM 905 CD2 LEU A 60 -7.029 4.827 -7.457 1.00 0.00 C ATOM 0 H LEU A 60 -6.706 2.594 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.577 2.505 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.092 4.033 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.885 4.469 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.321 5.910 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.371 5.106 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.331 4.577 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.798 3.431 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.504 5.450 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.055 3.798 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.048 5.194 -7.334 1.00 0.00 H new ATOM 917 N LYS A 61 -7.108 1.456 -2.887 1.00 0.00 N ATOM 918 CA LYS A 61 -7.949 0.702 -1.964 1.00 0.00 C ATOM 919 C LYS A 61 -7.871 1.241 -0.536 1.00 0.00 C ATOM 920 O LYS A 61 -8.594 0.769 0.343 1.00 0.00 O ATOM 921 CB LYS A 61 -7.557 -0.778 -1.986 1.00 0.00 C ATOM 922 CG LYS A 61 -8.724 -1.710 -2.268 1.00 0.00 C ATOM 923 CD LYS A 61 -8.298 -2.895 -3.120 1.00 0.00 C ATOM 924 CE LYS A 61 -8.543 -2.638 -4.599 1.00 0.00 C ATOM 925 NZ LYS A 61 -9.442 -3.662 -5.199 1.00 0.00 N ATOM 0 H LYS A 61 -6.192 1.711 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.980 0.815 -2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.789 -0.931 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.115 -1.043 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.140 -2.068 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.515 -1.160 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.240 -3.100 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.847 -3.784 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.983 -1.649 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.591 -2.635 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.385 -3.609 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.149 -4.609 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.421 -3.484 -4.897 1.00 0.00 H new ATOM 939 N ILE A 62 -7.001 2.219 -0.292 1.00 0.00 N ATOM 940 CA ILE A 62 -6.870 2.781 1.051 1.00 0.00 C ATOM 941 C ILE A 62 -6.353 4.214 1.020 1.00 0.00 C ATOM 942 O ILE A 62 -5.294 4.488 0.462 1.00 0.00 O ATOM 943 CB ILE A 62 -5.933 1.929 1.939 1.00 0.00 C ATOM 944 CG1 ILE A 62 -4.949 1.130 1.080 1.00 0.00 C ATOM 945 CG2 ILE A 62 -6.746 0.997 2.824 1.00 0.00 C ATOM 946 CD1 ILE A 62 -3.985 0.290 1.889 1.00 0.00 C ATOM 0 H ILE A 62 -6.386 2.633 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.873 2.775 1.479 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.359 2.602 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.510 0.480 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.381 1.820 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.073 0.404 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.404 1.585 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.345 0.333 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.318 -0.248 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.398 0.937 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.544 -0.424 2.494 1.00 0.00 H new ATOM 958 N MET A 63 -7.111 5.121 1.636 1.00 0.00 N ATOM 959 CA MET A 63 -6.733 6.532 1.698 1.00 0.00 C ATOM 960 C MET A 63 -7.183 7.145 3.022 1.00 0.00 C ATOM 961 O MET A 63 -8.314 6.932 3.460 1.00 0.00 O ATOM 962 CB MET A 63 -7.336 7.320 0.526 1.00 0.00 C ATOM 963 CG MET A 63 -7.887 6.455 -0.584 1.00 0.00 C ATOM 964 SD MET A 63 -8.568 7.415 -1.950 1.00 0.00 S ATOM 965 CE MET A 63 -10.317 7.345 -1.571 1.00 0.00 C ATOM 0 H MET A 63 -7.993 4.903 2.100 1.00 0.00 H new ATOM 0 HA MET A 63 -5.647 6.590 1.627 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.135 7.958 0.905 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.571 7.978 0.113 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.095 5.808 -0.961 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.664 5.806 -0.180 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.876 7.895 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.646 6.306 -1.561 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.495 7.791 -0.593 1.00 0.00 H new ATOM 975 N GLY A 64 -6.294 7.904 3.656 1.00 0.00 N ATOM 976 CA GLY A 64 -6.629 8.530 4.924 1.00 0.00 C ATOM 977 C GLY A 64 -6.514 7.578 6.101 1.00 0.00 C ATOM 978 O GLY A 64 -6.740 7.969 7.247 1.00 0.00 O ATOM 0 H GLY A 64 -5.352 8.097 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.971 9.383 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.647 8.918 4.875 1.00 0.00 H new ATOM 982 N ARG A 65 -6.163 6.325 5.822 1.00 0.00 N ATOM 983 CA ARG A 65 -6.019 5.317 6.866 1.00 0.00 C ATOM 984 C ARG A 65 -5.571 3.987 6.269 1.00 0.00 C ATOM 985 O ARG A 65 -6.378 3.242 5.715 1.00 0.00 O ATOM 986 CB ARG A 65 -7.341 5.137 7.617 1.00 0.00 C ATOM 987 CG ARG A 65 -7.395 5.880 8.943 1.00 0.00 C ATOM 988 CD ARG A 65 -7.766 4.952 10.088 1.00 0.00 C ATOM 989 NE ARG A 65 -8.091 5.688 11.307 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.260 6.287 11.523 1.00 0.00 C ATOM 991 NH1 ARG A 65 -10.218 6.240 10.603 1.00 0.00 N ATOM 992 NH2 ARG A 65 -9.473 6.935 12.659 1.00 0.00 N ATOM 0 H ARG A 65 -5.973 5.984 4.880 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.258 5.657 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.159 5.481 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.504 4.075 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.427 6.338 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.123 6.689 8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.619 4.340 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.938 4.271 10.286 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.380 5.746 12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.059 5.743 9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.112 6.701 10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.741 6.975 13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.369 7.394 12.824 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.278 3.695 6.381 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.732 2.457 5.844 1.00 0.00 C ATOM 1008 C VAL A 66 -4.303 1.243 6.574 1.00 0.00 C ATOM 1009 O VAL A 66 -4.432 1.246 7.799 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.182 2.453 5.908 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.659 1.652 7.096 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.602 1.925 4.606 1.00 0.00 C ATOM 0 H VAL A 66 -3.593 4.298 6.837 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.027 2.394 4.797 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.857 3.484 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.569 1.677 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.036 2.087 8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.998 0.619 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.514 1.928 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.954 0.907 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.922 2.561 3.781 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.651 0.210 5.813 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.215 -1.008 6.383 1.00 0.00 C ATOM 1024 C ALA A 67 -4.215 -1.707 7.298 1.00 0.00 C ATOM 1025 O ALA A 67 -3.021 -1.415 7.270 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.665 -1.948 5.275 1.00 0.00 C ATOM 0 H ALA A 67 -4.552 0.193 4.798 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.080 -0.729 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.084 -2.853 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.423 -1.456 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.811 -2.209 4.650 1.00 0.00 H new ATOM 1032 N SER A 68 -4.716 -2.632 8.112 1.00 0.00 N ATOM 1033 CA SER A 68 -3.873 -3.378 9.039 1.00 0.00 C ATOM 1034 C SER A 68 -3.382 -4.679 8.411 1.00 0.00 C ATOM 1035 O SER A 68 -3.695 -4.981 7.259 1.00 0.00 O ATOM 1036 CB SER A 68 -4.639 -3.678 10.329 1.00 0.00 C ATOM 1037 OG SER A 68 -5.609 -4.689 10.122 1.00 0.00 O ATOM 0 H SER A 68 -5.704 -2.883 8.148 1.00 0.00 H new ATOM 0 HA SER A 68 -3.005 -2.762 9.273 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.941 -3.992 11.105 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.126 -2.770 10.686 1.00 0.00 H new ATOM 0 HG SER A 68 -6.084 -4.864 10.961 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.607 -5.441 9.175 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.062 -6.709 8.697 1.00 0.00 C ATOM 1045 C LYS A 69 -3.167 -7.725 8.407 1.00 0.00 C ATOM 1046 O LYS A 69 -3.185 -8.348 7.345 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.084 -7.283 9.724 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.704 -7.521 11.091 1.00 0.00 C ATOM 1049 CD LYS A 69 -0.651 -7.531 12.188 1.00 0.00 C ATOM 1050 CE LYS A 69 -1.281 -7.679 13.563 1.00 0.00 C ATOM 1051 NZ LYS A 69 -1.888 -6.405 14.039 1.00 0.00 N ATOM 0 H LYS A 69 -2.341 -5.203 10.130 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.535 -6.511 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.686 -8.225 9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.241 -6.600 9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.439 -6.743 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.237 -8.472 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.047 -8.350 12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.074 -6.607 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.046 -8.455 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.524 -8.008 14.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.306 -6.550 14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.154 -5.671 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.628 -6.103 13.374 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.082 -7.901 9.356 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.176 -8.851 9.192 1.00 0.00 C ATOM 1067 C GLU A 70 -6.196 -8.346 8.174 1.00 0.00 C ATOM 1068 O GLU A 70 -6.850 -9.137 7.493 1.00 0.00 O ATOM 1069 CB GLU A 70 -5.863 -9.108 10.534 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.388 -10.526 10.686 1.00 0.00 C ATOM 1071 CD GLU A 70 -6.620 -10.910 12.135 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -7.469 -10.269 12.789 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -5.952 -11.850 12.615 1.00 0.00 O ATOM 0 H GLU A 70 -4.087 -7.399 10.244 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.755 -9.785 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.158 -8.902 11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.691 -8.408 10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.323 -10.625 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.678 -11.222 10.239 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.331 -7.028 8.079 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.277 -6.423 7.148 1.00 0.00 C ATOM 1082 C GLU A 71 -6.807 -6.569 5.705 1.00 0.00 C ATOM 1083 O GLU A 71 -7.558 -7.024 4.843 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.474 -4.944 7.480 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.278 -4.706 8.748 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.700 -4.264 8.462 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.924 -3.043 8.317 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.589 -5.137 8.384 1.00 0.00 O ATOM 0 H GLU A 71 -5.798 -6.359 8.634 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.227 -6.947 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.498 -4.471 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.976 -4.457 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.298 -5.622 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.780 -3.948 9.353 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.564 -6.176 5.444 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.006 -6.260 4.098 1.00 0.00 C ATOM 1097 C ILE A 72 -5.097 -7.683 3.552 1.00 0.00 C ATOM 1098 O ILE A 72 -5.506 -7.895 2.411 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.538 -5.773 4.064 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.123 -5.423 2.630 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.597 -6.809 4.667 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.837 -6.628 1.757 1.00 0.00 C ATOM 0 H ILE A 72 -4.926 -5.797 6.144 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.600 -5.604 3.462 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.467 -4.872 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.914 -4.833 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.234 -4.793 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.573 -6.437 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.877 -6.995 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.667 -7.738 4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.550 -6.295 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.024 -7.209 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.730 -7.249 1.689 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.722 -8.655 4.377 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.767 -10.057 3.978 1.00 0.00 C ATOM 1116 C LYS A 73 -6.191 -10.475 3.624 1.00 0.00 C ATOM 1117 O LYS A 73 -6.407 -11.258 2.698 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.226 -10.945 5.100 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.217 -12.426 4.757 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.611 -13.256 5.880 1.00 0.00 C ATOM 1121 CE LYS A 73 -4.557 -14.356 6.336 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.836 -15.464 7.025 1.00 0.00 N ATOM 0 H LYS A 73 -4.383 -8.498 5.326 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.141 -10.179 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.211 -10.631 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.829 -10.792 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.236 -12.762 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.650 -12.584 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.674 -13.698 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.371 -12.608 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.304 -13.936 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.093 -14.753 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.518 -16.192 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.141 -15.883 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.345 -15.091 7.863 1.00 0.00 H new