USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 MET CE :methyl -129:sc= -0.41 (180deg=-0.674) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.0629 USER MOD Set 2.1: A 37 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 39 THR OG1 : rot -150:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0695 (180deg=-0.0293) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -1.24! (180deg=-2.85!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 2:sc= 0.878 USER MOD Single : A 18 LYS NZ :NH3+ -140:sc= -2.32! (180deg=-5.06!) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0307) USER MOD Single : A 28 MET CE :methyl -124:sc= -0.225 (180deg=-2.99!) USER MOD Single : A 30 ASN : amide:sc= -2.11! C(o=-2.1!,f=-7.1!) USER MOD Single : A 42 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.029) USER MOD Single : A 45 GLN : amide:sc= 0.136 X(o=0.14,f=-0.029) USER MOD Single : A 51 MET CE :methyl -151:sc= -0.208 (180deg=-0.722) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 65 LYS NZ :NH3+ 143:sc= 0.759 (180deg=-1.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.822 1.504 -2.213 1.00 0.00 N ATOM 2 CA MET A 1 3.269 0.640 -1.141 1.00 0.00 C ATOM 3 C MET A 1 3.171 -0.808 -1.622 1.00 0.00 C ATOM 4 O MET A 1 3.121 -1.060 -2.828 1.00 0.00 O ATOM 5 CB MET A 1 1.890 1.149 -0.700 1.00 0.00 C ATOM 6 CG MET A 1 1.920 2.514 -0.024 1.00 0.00 C ATOM 7 SD MET A 1 0.297 3.027 0.579 1.00 0.00 S ATOM 8 CE MET A 1 0.688 4.615 1.316 1.00 0.00 C ATOM 0 H1 MET A 1 4.703 1.947 -1.882 1.00 0.00 H new ATOM 0 H2 MET A 1 4.020 0.928 -3.056 1.00 0.00 H new ATOM 0 H3 MET A 1 3.132 2.244 -2.454 1.00 0.00 H new ATOM 0 HA MET A 1 3.943 0.678 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.238 1.201 -1.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.449 0.425 -0.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.621 2.487 0.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.293 3.257 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.218 5.056 1.732 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.422 4.477 2.110 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.098 5.279 0.554 1.00 0.00 H new ATOM 18 N LYS A 2 3.134 -1.754 -0.681 1.00 0.00 N ATOM 19 CA LYS A 2 3.169 -3.182 -1.008 1.00 0.00 C ATOM 20 C LYS A 2 2.053 -3.956 -0.293 1.00 0.00 C ATOM 21 O LYS A 2 1.871 -3.828 0.922 1.00 0.00 O ATOM 22 CB LYS A 2 4.535 -3.766 -0.614 1.00 0.00 C ATOM 23 CG LYS A 2 4.696 -5.253 -0.926 1.00 0.00 C ATOM 24 CD LYS A 2 6.007 -5.808 -0.371 1.00 0.00 C ATOM 25 CE LYS A 2 6.156 -7.299 -0.653 1.00 0.00 C ATOM 26 NZ LYS A 2 7.373 -7.867 -0.017 1.00 0.00 N ATOM 0 H LYS A 2 3.080 -1.556 0.318 1.00 0.00 H new ATOM 0 HA LYS A 2 3.013 -3.284 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.317 -3.211 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.689 -3.612 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.858 -5.807 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.665 -5.404 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.845 -5.269 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.048 -5.636 0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.276 -7.827 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.200 -7.462 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.436 -8.882 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.216 -7.381 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.320 -7.735 1.013 1.00 0.00 H new ATOM 40 N VAL A 3 1.316 -4.757 -1.059 1.00 0.00 N ATOM 41 CA VAL A 3 0.324 -5.679 -0.511 1.00 0.00 C ATOM 42 C VAL A 3 0.305 -6.957 -1.350 1.00 0.00 C ATOM 43 O VAL A 3 0.401 -6.905 -2.579 1.00 0.00 O ATOM 44 CB VAL A 3 -1.101 -5.057 -0.465 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.625 -4.762 -1.869 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.071 -5.965 0.295 1.00 0.00 C ATOM 0 H VAL A 3 1.389 -4.785 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 3 0.611 -5.903 0.516 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.029 -4.110 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.623 -4.328 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.957 -4.059 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.670 -5.688 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.060 -5.507 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.128 -6.933 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.716 -6.102 1.317 1.00 0.00 H new ATOM 56 N MET A 4 0.208 -8.102 -0.691 1.00 0.00 N ATOM 57 CA MET A 4 0.216 -9.385 -1.382 1.00 0.00 C ATOM 58 C MET A 4 -1.136 -10.071 -1.242 1.00 0.00 C ATOM 59 O MET A 4 -1.516 -10.496 -0.149 1.00 0.00 O ATOM 60 CB MET A 4 1.324 -10.289 -0.825 1.00 0.00 C ATOM 61 CG MET A 4 1.401 -11.653 -1.501 1.00 0.00 C ATOM 62 SD MET A 4 2.705 -12.694 -0.818 1.00 0.00 S ATOM 63 CE MET A 4 4.162 -11.719 -1.193 1.00 0.00 C ATOM 0 H MET A 4 0.123 -8.170 0.323 1.00 0.00 H new ATOM 0 HA MET A 4 0.411 -9.204 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.283 -9.784 -0.937 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.161 -10.432 0.243 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.443 -12.161 -1.395 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.573 -11.516 -2.569 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.900 -12.345 -1.695 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.887 -10.889 -1.844 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.587 -11.329 -0.268 1.00 0.00 H new ATOM 73 N ILE A 5 -1.868 -10.161 -2.344 1.00 0.00 N ATOM 74 CA ILE A 5 -3.139 -10.866 -2.360 1.00 0.00 C ATOM 75 C ILE A 5 -2.881 -12.352 -2.583 1.00 0.00 C ATOM 76 O ILE A 5 -2.448 -12.761 -3.664 1.00 0.00 O ATOM 77 CB ILE A 5 -4.082 -10.331 -3.470 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.266 -8.805 -3.342 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.436 -11.046 -3.420 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.873 -8.363 -2.026 1.00 0.00 C ATOM 0 H ILE A 5 -1.601 -9.753 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.630 -10.703 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.622 -10.538 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.297 -8.322 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.900 -8.457 -4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.082 -10.656 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.288 -12.116 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.902 -10.875 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.969 -7.277 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.858 -8.815 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.230 -8.678 -1.205 1.00 0.00 H new ATOM 92 N ARG A 6 -3.129 -13.152 -1.557 1.00 0.00 N ATOM 93 CA ARG A 6 -2.888 -14.587 -1.623 1.00 0.00 C ATOM 94 C ARG A 6 -4.193 -15.314 -1.905 1.00 0.00 C ATOM 95 O ARG A 6 -5.230 -15.022 -1.301 1.00 0.00 O ATOM 96 CB ARG A 6 -2.219 -15.072 -0.332 1.00 0.00 C ATOM 97 CG ARG A 6 -0.795 -14.539 -0.180 1.00 0.00 C ATOM 98 CD ARG A 6 -0.125 -14.999 1.107 1.00 0.00 C ATOM 99 NE ARG A 6 1.294 -14.637 1.123 1.00 0.00 N ATOM 100 CZ ARG A 6 1.977 -14.283 2.209 1.00 0.00 C ATOM 101 NH1 ARG A 6 1.378 -14.201 3.391 1.00 0.00 N ATOM 102 NH2 ARG A 6 3.267 -14.006 2.106 1.00 0.00 N ATOM 0 H ARG A 6 -3.499 -12.830 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.203 -14.809 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.816 -14.757 0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.199 -16.162 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.198 -14.865 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.816 -13.449 -0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.628 -14.549 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.229 -16.079 1.208 1.00 0.00 H new ATOM 0 HE ARG A 6 1.796 -14.658 0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.383 -14.410 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.913 -13.929 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.730 -14.065 1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.798 -13.734 2.933 1.00 0.00 H new ATOM 116 N LYS A 7 -4.143 -16.256 -2.838 1.00 0.00 N ATOM 117 CA LYS A 7 -5.353 -16.810 -3.423 1.00 0.00 C ATOM 118 C LYS A 7 -5.395 -18.327 -3.391 1.00 0.00 C ATOM 119 O LYS A 7 -4.370 -19.009 -3.434 1.00 0.00 O ATOM 120 CB LYS A 7 -5.484 -16.331 -4.874 1.00 0.00 C ATOM 121 CG LYS A 7 -5.935 -14.881 -5.005 1.00 0.00 C ATOM 122 CD LYS A 7 -7.393 -14.699 -4.584 1.00 0.00 C ATOM 123 CE LYS A 7 -8.378 -15.158 -5.664 1.00 0.00 C ATOM 124 NZ LYS A 7 -8.311 -16.624 -5.951 1.00 0.00 N ATOM 0 H LYS A 7 -3.277 -16.651 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.187 -16.455 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.523 -16.449 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.195 -16.971 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.297 -14.245 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.811 -14.554 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.576 -15.261 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.573 -13.649 -4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.391 -14.903 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.179 -14.607 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.205 -16.934 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.526 -16.814 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.156 -17.145 -5.064 1.00 0.00 H new ATOM 138 N THR A 8 -6.613 -18.822 -3.287 1.00 0.00 N ATOM 139 CA THR A 8 -6.948 -20.209 -3.538 1.00 0.00 C ATOM 140 C THR A 8 -8.246 -20.204 -4.354 1.00 0.00 C ATOM 141 O THR A 8 -8.806 -19.124 -4.588 1.00 0.00 O ATOM 142 CB THR A 8 -7.129 -20.985 -2.208 1.00 0.00 C ATOM 143 OG1 THR A 8 -6.047 -20.672 -1.320 1.00 0.00 O ATOM 144 CG2 THR A 8 -7.165 -22.493 -2.434 1.00 0.00 C ATOM 0 H THR A 8 -7.417 -18.255 -3.019 1.00 0.00 H new ATOM 0 HA THR A 8 -6.149 -20.711 -4.083 1.00 0.00 H new ATOM 0 HB THR A 8 -8.081 -20.682 -1.773 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.162 -21.161 -0.479 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.293 -23.001 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.997 -22.743 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.230 -22.814 -2.893 1.00 0.00 H new ATOM 152 N ALA A 9 -8.710 -21.362 -4.814 1.00 0.00 N ATOM 153 CA ALA A 9 -9.966 -21.432 -5.562 1.00 0.00 C ATOM 154 C ALA A 9 -11.119 -20.855 -4.736 1.00 0.00 C ATOM 155 O ALA A 9 -11.869 -20.000 -5.207 1.00 0.00 O ATOM 156 CB ALA A 9 -10.267 -22.868 -5.979 1.00 0.00 C ATOM 0 H ALA A 9 -8.242 -22.259 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.859 -20.831 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.205 -22.897 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.460 -23.240 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.351 -23.495 -5.091 1.00 0.00 H new ATOM 162 N THR A 10 -11.246 -21.323 -3.500 1.00 0.00 N ATOM 163 CA THR A 10 -12.280 -20.833 -2.590 1.00 0.00 C ATOM 164 C THR A 10 -11.696 -19.836 -1.586 1.00 0.00 C ATOM 165 O THR A 10 -12.380 -18.911 -1.135 1.00 0.00 O ATOM 166 CB THR A 10 -12.935 -22.003 -1.824 1.00 0.00 C ATOM 167 OG1 THR A 10 -11.925 -22.758 -1.134 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.703 -22.922 -2.772 1.00 0.00 C ATOM 0 H THR A 10 -10.644 -22.044 -3.102 1.00 0.00 H new ATOM 0 HA THR A 10 -13.037 -20.330 -3.193 1.00 0.00 H new ATOM 0 HB THR A 10 -13.640 -21.586 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.345 -23.498 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.153 -23.736 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.486 -22.354 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.019 -23.332 -3.515 1.00 0.00 H new ATOM 176 N GLY A 11 -10.427 -20.038 -1.240 1.00 0.00 N ATOM 177 CA GLY A 11 -9.771 -19.199 -0.254 1.00 0.00 C ATOM 178 C GLY A 11 -9.393 -17.834 -0.799 1.00 0.00 C ATOM 179 O GLY A 11 -8.889 -17.719 -1.922 1.00 0.00 O ATOM 0 H GLY A 11 -9.838 -20.774 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.431 -19.072 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.874 -19.703 0.105 1.00 0.00 H new ATOM 183 N HIS A 12 -9.645 -16.795 -0.009 1.00 0.00 N ATOM 184 CA HIS A 12 -9.274 -15.430 -0.374 1.00 0.00 C ATOM 185 C HIS A 12 -8.631 -14.731 0.823 1.00 0.00 C ATOM 186 O HIS A 12 -9.296 -14.466 1.827 1.00 0.00 O ATOM 187 CB HIS A 12 -10.498 -14.630 -0.848 1.00 0.00 C ATOM 188 CG HIS A 12 -11.189 -15.203 -2.054 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.251 -16.078 -1.973 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.963 -15.017 -3.375 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.645 -16.405 -3.191 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.879 -15.773 -4.060 1.00 0.00 N ATOM 0 H HIS A 12 -10.109 -16.873 0.896 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.560 -15.479 -1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.215 -14.568 -0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.185 -13.611 -1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.201 -14.388 -3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.456 -17.075 -3.434 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.956 -15.837 -5.075 1.00 0.00 H new ATOM 201 N SER A 13 -7.342 -14.435 0.709 1.00 0.00 N ATOM 202 CA SER A 13 -6.587 -13.805 1.791 1.00 0.00 C ATOM 203 C SER A 13 -5.804 -12.603 1.265 1.00 0.00 C ATOM 204 O SER A 13 -5.331 -12.609 0.125 1.00 0.00 O ATOM 205 CB SER A 13 -5.623 -14.822 2.421 1.00 0.00 C ATOM 206 OG SER A 13 -6.315 -15.968 2.896 1.00 0.00 O ATOM 0 H SER A 13 -6.791 -14.622 -0.129 1.00 0.00 H new ATOM 0 HA SER A 13 -7.289 -13.460 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.879 -15.124 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.085 -14.353 3.245 1.00 0.00 H new ATOM 0 HG SER A 13 -5.675 -16.597 3.289 1.00 0.00 H new ATOM 212 N ALA A 14 -5.675 -11.570 2.090 1.00 0.00 N ATOM 213 CA ALA A 14 -4.904 -10.386 1.724 1.00 0.00 C ATOM 214 C ALA A 14 -3.864 -10.077 2.792 1.00 0.00 C ATOM 215 O ALA A 14 -4.195 -9.963 3.975 1.00 0.00 O ATOM 216 CB ALA A 14 -5.821 -9.188 1.511 1.00 0.00 C ATOM 0 H ALA A 14 -6.095 -11.528 3.019 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.388 -10.592 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.225 -8.317 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.527 -9.408 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.368 -8.980 2.431 1.00 0.00 H new ATOM 222 N TYR A 15 -2.612 -9.958 2.368 1.00 0.00 N ATOM 223 CA TYR A 15 -1.505 -9.669 3.271 1.00 0.00 C ATOM 224 C TYR A 15 -1.012 -8.231 3.083 1.00 0.00 C ATOM 225 O TYR A 15 -0.327 -7.916 2.106 1.00 0.00 O ATOM 226 CB TYR A 15 -0.359 -10.667 3.038 1.00 0.00 C ATOM 227 CG TYR A 15 0.920 -10.310 3.774 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.996 -10.387 5.161 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.047 -9.880 3.080 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.153 -10.047 5.831 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.205 -9.535 3.745 1.00 0.00 C ATOM 232 CZ TYR A 15 3.254 -9.622 5.118 1.00 0.00 C ATOM 233 OH TYR A 15 4.404 -9.267 5.782 1.00 0.00 O ATOM 0 H TYR A 15 -2.336 -10.059 1.391 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.858 -9.774 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.684 -11.659 3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.149 -10.723 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.135 -10.718 5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.014 -9.815 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.196 -10.113 6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.069 -9.198 3.191 1.00 0.00 H new ATOM 0 HH TYR A 15 4.280 -9.399 6.745 1.00 0.00 H new ATOM 243 N VAL A 16 -1.385 -7.364 4.017 1.00 0.00 N ATOM 244 CA VAL A 16 -0.910 -5.987 4.041 1.00 0.00 C ATOM 245 C VAL A 16 0.517 -5.943 4.589 1.00 0.00 C ATOM 246 O VAL A 16 0.727 -5.968 5.805 1.00 0.00 O ATOM 247 CB VAL A 16 -1.832 -5.088 4.906 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.356 -3.635 4.891 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.284 -5.192 4.436 1.00 0.00 C ATOM 0 H VAL A 16 -2.024 -7.596 4.777 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.924 -5.605 3.020 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.781 -5.444 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.021 -3.028 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.343 -3.580 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.365 -3.260 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.914 -4.554 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.354 -4.871 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.621 -6.225 4.520 1.00 0.00 H new ATOM 259 N ALA A 17 1.488 -5.885 3.680 1.00 0.00 N ATOM 260 CA ALA A 17 2.906 -5.984 4.033 1.00 0.00 C ATOM 261 C ALA A 17 3.320 -4.940 5.069 1.00 0.00 C ATOM 262 O ALA A 17 3.972 -5.271 6.063 1.00 0.00 O ATOM 263 CB ALA A 17 3.766 -5.858 2.781 1.00 0.00 C ATOM 0 H ALA A 17 1.317 -5.769 2.681 1.00 0.00 H new ATOM 0 HA ALA A 17 3.062 -6.964 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.819 -5.933 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.514 -6.658 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.581 -4.893 2.308 1.00 0.00 H new ATOM 269 N LYS A 18 2.912 -3.692 4.848 1.00 0.00 N ATOM 270 CA LYS A 18 3.333 -2.573 5.698 1.00 0.00 C ATOM 271 C LYS A 18 2.858 -2.731 7.144 1.00 0.00 C ATOM 272 O LYS A 18 3.359 -2.055 8.045 1.00 0.00 O ATOM 273 CB LYS A 18 2.843 -1.238 5.106 1.00 0.00 C ATOM 274 CG LYS A 18 1.322 -1.107 4.952 1.00 0.00 C ATOM 275 CD LYS A 18 0.610 -0.655 6.236 1.00 0.00 C ATOM 276 CE LYS A 18 0.979 0.772 6.654 1.00 0.00 C ATOM 277 NZ LYS A 18 2.334 0.862 7.263 1.00 0.00 N ATOM 0 H LYS A 18 2.288 -3.427 4.086 1.00 0.00 H new ATOM 0 HA LYS A 18 4.423 -2.574 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.198 -0.426 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.304 -1.103 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.106 -0.394 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.913 -2.068 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.468 -0.717 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.861 -1.341 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.933 1.424 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.240 1.140 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.310 1.520 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.629 -0.079 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.011 1.208 6.553 1.00 0.00 H new ATOM 291 N LYS A 19 1.882 -3.606 7.360 1.00 0.00 N ATOM 292 CA LYS A 19 1.356 -3.849 8.701 1.00 0.00 C ATOM 293 C LYS A 19 1.604 -5.299 9.110 1.00 0.00 C ATOM 294 O LYS A 19 1.423 -5.669 10.271 1.00 0.00 O ATOM 295 CB LYS A 19 -0.146 -3.525 8.752 1.00 0.00 C ATOM 296 CG LYS A 19 -0.711 -3.445 10.169 1.00 0.00 C ATOM 297 CD LYS A 19 -2.205 -3.136 10.175 1.00 0.00 C ATOM 298 CE LYS A 19 -2.719 -2.866 11.586 1.00 0.00 C ATOM 299 NZ LYS A 19 -2.527 -4.032 12.495 1.00 0.00 N ATOM 0 H LYS A 19 1.439 -4.159 6.626 1.00 0.00 H new ATOM 0 HA LYS A 19 1.874 -3.197 9.404 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.321 -2.575 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.692 -4.287 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.535 -4.390 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.180 -2.674 10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.400 -2.269 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.752 -3.974 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.202 -1.999 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.779 -2.614 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.952 -3.824 13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.984 -4.871 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.510 -4.215 12.615 1.00 0.00 H new ATOM 313 N ASP A 20 2.037 -6.106 8.142 1.00 0.00 N ATOM 314 CA ASP A 20 2.245 -7.541 8.344 1.00 0.00 C ATOM 315 C ASP A 20 0.919 -8.200 8.735 1.00 0.00 C ATOM 316 O ASP A 20 0.881 -9.201 9.453 1.00 0.00 O ATOM 317 CB ASP A 20 3.330 -7.789 9.410 1.00 0.00 C ATOM 318 CG ASP A 20 3.955 -9.174 9.304 1.00 0.00 C ATOM 319 OD1 ASP A 20 4.911 -9.335 8.515 1.00 0.00 O ATOM 320 OD2 ASP A 20 3.509 -10.100 10.013 1.00 0.00 O ATOM 0 H ASP A 20 2.253 -5.786 7.198 1.00 0.00 H new ATOM 0 HA ASP A 20 2.594 -7.988 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.110 -7.035 9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.894 -7.667 10.401 1.00 0.00 H new ATOM 325 N LEU A 21 -0.171 -7.622 8.238 1.00 0.00 N ATOM 326 CA LEU A 21 -1.517 -8.105 8.530 1.00 0.00 C ATOM 327 C LEU A 21 -2.036 -8.968 7.388 1.00 0.00 C ATOM 328 O LEU A 21 -2.242 -8.478 6.282 1.00 0.00 O ATOM 329 CB LEU A 21 -2.475 -6.921 8.745 1.00 0.00 C ATOM 330 CG LEU A 21 -3.971 -7.290 8.824 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.273 -8.097 10.084 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.848 -6.038 8.750 1.00 0.00 C ATOM 0 H LEU A 21 -0.146 -6.808 7.623 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.470 -8.704 9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.194 -6.410 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.336 -6.210 7.931 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.207 -7.916 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.335 -8.343 10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.688 -9.016 10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.013 -7.509 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.898 -6.325 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.607 -5.375 9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.665 -5.521 7.808 1.00 0.00 H new ATOM 344 N GLU A 22 -2.240 -10.245 7.657 1.00 0.00 N ATOM 345 CA GLU A 22 -2.888 -11.138 6.707 1.00 0.00 C ATOM 346 C GLU A 22 -4.259 -11.511 7.252 1.00 0.00 C ATOM 347 O GLU A 22 -4.364 -12.094 8.334 1.00 0.00 O ATOM 348 CB GLU A 22 -2.054 -12.403 6.466 1.00 0.00 C ATOM 349 CG GLU A 22 -2.666 -13.340 5.427 1.00 0.00 C ATOM 350 CD GLU A 22 -1.955 -14.680 5.343 1.00 0.00 C ATOM 351 OE1 GLU A 22 -2.259 -15.566 6.169 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.094 -14.857 4.452 1.00 0.00 O ATOM 0 H GLU A 22 -1.965 -10.692 8.532 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.986 -10.626 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.054 -12.115 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.941 -12.940 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.716 -13.507 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.637 -12.858 4.450 1.00 0.00 H new ATOM 359 N GLU A 23 -5.309 -11.158 6.526 1.00 0.00 N ATOM 360 CA GLU A 23 -6.667 -11.404 6.990 1.00 0.00 C ATOM 361 C GLU A 23 -7.522 -11.990 5.874 1.00 0.00 C ATOM 362 O GLU A 23 -7.204 -11.850 4.689 1.00 0.00 O ATOM 363 CB GLU A 23 -7.289 -10.103 7.517 1.00 0.00 C ATOM 364 CG GLU A 23 -8.604 -10.299 8.262 1.00 0.00 C ATOM 365 CD GLU A 23 -8.486 -11.286 9.409 1.00 0.00 C ATOM 366 OE1 GLU A 23 -7.998 -10.895 10.485 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.874 -12.459 9.233 1.00 0.00 O ATOM 0 H GLU A 23 -5.248 -10.702 5.616 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.628 -12.129 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.576 -9.616 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.456 -9.427 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.945 -9.338 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.364 -10.649 7.563 1.00 0.00 H new ATOM 374 N LEU A 24 -8.603 -12.648 6.272 1.00 0.00 N ATOM 375 CA LEU A 24 -9.523 -13.278 5.338 1.00 0.00 C ATOM 376 C LEU A 24 -10.424 -12.235 4.687 1.00 0.00 C ATOM 377 O LEU A 24 -10.860 -11.280 5.338 1.00 0.00 O ATOM 378 CB LEU A 24 -10.377 -14.325 6.066 1.00 0.00 C ATOM 379 CG LEU A 24 -9.588 -15.440 6.771 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.533 -16.391 7.502 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.717 -16.200 5.771 1.00 0.00 C ATOM 0 H LEU A 24 -8.865 -12.759 7.251 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.941 -13.770 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.994 -13.816 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.055 -14.782 5.345 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.932 -14.980 7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.954 -17.172 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.102 -15.836 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.219 -16.844 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.167 -16.985 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.349 -16.647 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.013 -15.511 5.305 1.00 0.00 H new ATOM 393 N ILE A 25 -10.688 -12.422 3.402 1.00 0.00 N ATOM 394 CA ILE A 25 -11.571 -11.540 2.653 1.00 0.00 C ATOM 395 C ILE A 25 -13.032 -11.940 2.868 1.00 0.00 C ATOM 396 O ILE A 25 -13.471 -12.998 2.407 1.00 0.00 O ATOM 397 CB ILE A 25 -11.227 -11.573 1.143 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.821 -10.986 0.913 1.00 0.00 C ATOM 399 CG2 ILE A 25 -12.281 -10.825 0.329 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.365 -11.014 -0.530 1.00 0.00 C ATOM 0 H ILE A 25 -10.298 -13.186 2.851 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.427 -10.523 3.019 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.227 -12.609 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.808 -9.955 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.105 -11.540 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.018 -10.862 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.254 -11.292 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.324 -9.786 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.367 -10.583 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.343 -12.044 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.057 -10.435 -1.142 1.00 0.00 H new ATOM 412 N VAL A 26 -13.771 -11.094 3.586 1.00 0.00 N ATOM 413 CA VAL A 26 -15.174 -11.366 3.903 1.00 0.00 C ATOM 414 C VAL A 26 -16.117 -10.548 3.020 1.00 0.00 C ATOM 415 O VAL A 26 -17.273 -10.926 2.819 1.00 0.00 O ATOM 416 CB VAL A 26 -15.485 -11.071 5.393 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.677 -11.992 6.303 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.220 -9.601 5.731 1.00 0.00 C ATOM 0 H VAL A 26 -13.421 -10.212 3.960 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.338 -12.426 3.709 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.544 -11.266 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.909 -11.770 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.931 -13.030 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.613 -11.835 6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.447 -9.423 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.173 -9.367 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.852 -8.965 5.111 1.00 0.00 H new ATOM 428 N GLU A 27 -15.617 -9.431 2.498 1.00 0.00 N ATOM 429 CA GLU A 27 -16.410 -8.537 1.653 1.00 0.00 C ATOM 430 C GLU A 27 -15.606 -8.142 0.417 1.00 0.00 C ATOM 431 O GLU A 27 -14.433 -7.773 0.525 1.00 0.00 O ATOM 432 CB GLU A 27 -16.817 -7.287 2.450 1.00 0.00 C ATOM 433 CG GLU A 27 -17.563 -6.229 1.638 1.00 0.00 C ATOM 434 CD GLU A 27 -18.943 -6.684 1.191 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.040 -7.404 0.175 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.939 -6.322 1.853 1.00 0.00 O ATOM 0 H GLU A 27 -14.657 -9.120 2.646 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.313 -9.055 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.445 -7.594 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.920 -6.835 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.662 -5.323 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.971 -5.969 0.761 1.00 0.00 H new ATOM 443 N MET A 28 -16.238 -8.211 -0.753 1.00 0.00 N ATOM 444 CA MET A 28 -15.554 -7.965 -2.023 1.00 0.00 C ATOM 445 C MET A 28 -16.324 -6.941 -2.852 1.00 0.00 C ATOM 446 O MET A 28 -17.539 -6.802 -2.700 1.00 0.00 O ATOM 447 CB MET A 28 -15.430 -9.265 -2.841 1.00 0.00 C ATOM 448 CG MET A 28 -15.017 -10.495 -2.039 1.00 0.00 C ATOM 449 SD MET A 28 -16.311 -11.054 -0.906 1.00 0.00 S ATOM 450 CE MET A 28 -15.567 -12.541 -0.235 1.00 0.00 C ATOM 0 H MET A 28 -17.228 -8.436 -0.849 1.00 0.00 H new ATOM 0 HA MET A 28 -14.559 -7.585 -1.793 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.388 -9.467 -3.321 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.702 -9.108 -3.637 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.766 -11.304 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.115 -10.267 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 28 -16.233 -13.388 -0.401 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.614 -12.726 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.401 -12.414 0.835 1.00 0.00 H new ATOM 460 N GLU A 29 -15.617 -6.216 -3.714 1.00 0.00 N ATOM 461 CA GLU A 29 -16.266 -5.368 -4.709 1.00 0.00 C ATOM 462 C GLU A 29 -17.004 -6.257 -5.708 1.00 0.00 C ATOM 463 O GLU A 29 -18.197 -6.085 -5.972 1.00 0.00 O ATOM 464 CB GLU A 29 -15.223 -4.519 -5.449 1.00 0.00 C ATOM 465 CG GLU A 29 -15.820 -3.471 -6.383 1.00 0.00 C ATOM 466 CD GLU A 29 -16.411 -2.286 -5.635 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.654 -1.340 -5.333 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.626 -2.296 -5.342 1.00 0.00 O ATOM 0 H GLU A 29 -14.598 -6.198 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.968 -4.700 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.591 -4.018 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.577 -5.180 -6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.047 -3.116 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.596 -3.934 -6.993 1.00 0.00 H new ATOM 475 N ASN A 30 -16.263 -7.222 -6.236 1.00 0.00 N ATOM 476 CA ASN A 30 -16.774 -8.198 -7.193 1.00 0.00 C ATOM 477 C ASN A 30 -16.735 -9.581 -6.547 1.00 0.00 C ATOM 478 O ASN A 30 -15.745 -9.919 -5.901 1.00 0.00 O ATOM 479 CB ASN A 30 -15.902 -8.163 -8.460 1.00 0.00 C ATOM 480 CG ASN A 30 -16.308 -9.151 -9.544 1.00 0.00 C ATOM 481 OD1 ASN A 30 -17.479 -9.468 -9.719 1.00 0.00 O ATOM 482 ND2 ASN A 30 -15.329 -9.628 -10.297 1.00 0.00 N ATOM 0 H ASN A 30 -15.277 -7.352 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.802 -7.964 -7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.932 -7.156 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.868 -8.360 -8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.538 -10.282 -11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.366 -9.342 -10.122 1.00 0.00 H new ATOM 489 N PRO A 31 -17.813 -10.384 -6.692 1.00 0.00 N ATOM 490 CA PRO A 31 -17.916 -11.742 -6.128 1.00 0.00 C ATOM 491 C PRO A 31 -16.604 -12.532 -6.197 1.00 0.00 C ATOM 492 O PRO A 31 -16.331 -13.375 -5.341 1.00 0.00 O ATOM 493 CB PRO A 31 -19.006 -12.406 -7.002 1.00 0.00 C ATOM 494 CG PRO A 31 -19.401 -11.368 -8.014 1.00 0.00 C ATOM 495 CD PRO A 31 -19.042 -10.045 -7.410 1.00 0.00 C ATOM 0 HA PRO A 31 -18.153 -11.717 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.625 -13.303 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.861 -12.710 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.876 -11.522 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.468 -11.421 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.878 -9.278 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.819 -9.673 -6.742 1.00 0.00 H new ATOM 503 N ALA A 32 -15.805 -12.265 -7.225 1.00 0.00 N ATOM 504 CA ALA A 32 -14.481 -12.864 -7.338 1.00 0.00 C ATOM 505 C ALA A 32 -13.533 -12.242 -6.315 1.00 0.00 C ATOM 506 O ALA A 32 -13.142 -12.894 -5.341 1.00 0.00 O ATOM 507 CB ALA A 32 -13.934 -12.689 -8.748 1.00 0.00 C ATOM 0 H ALA A 32 -16.051 -11.638 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.563 -13.932 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.945 -13.142 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.603 -13.172 -9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.862 -11.627 -8.981 1.00 0.00 H new ATOM 513 N LEU A 33 -13.190 -10.969 -6.537 1.00 0.00 N ATOM 514 CA LEU A 33 -12.297 -10.230 -5.646 1.00 0.00 C ATOM 515 C LEU A 33 -12.035 -8.833 -6.215 1.00 0.00 C ATOM 516 O LEU A 33 -12.539 -7.832 -5.699 1.00 0.00 O ATOM 517 CB LEU A 33 -10.965 -10.989 -5.467 1.00 0.00 C ATOM 518 CG LEU A 33 -10.179 -10.692 -4.171 1.00 0.00 C ATOM 519 CD1 LEU A 33 -8.982 -11.625 -4.051 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.719 -9.234 -4.109 1.00 0.00 C ATOM 0 H LEU A 33 -13.522 -10.427 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.774 -10.134 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.173 -12.058 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.323 -10.759 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.853 -10.864 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.438 -11.403 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.327 -12.659 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.322 -11.482 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.170 -9.065 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.071 -9.020 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.588 -8.577 -4.141 1.00 0.00 H new ATOM 532 N TRP A 34 -11.255 -8.787 -7.295 1.00 0.00 N ATOM 533 CA TRP A 34 -10.801 -7.524 -7.882 1.00 0.00 C ATOM 534 C TRP A 34 -11.955 -6.747 -8.504 1.00 0.00 C ATOM 535 O TRP A 34 -13.003 -7.313 -8.818 1.00 0.00 O ATOM 536 CB TRP A 34 -9.732 -7.784 -8.951 1.00 0.00 C ATOM 537 CG TRP A 34 -8.501 -8.458 -8.424 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.400 -9.741 -7.973 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.195 -7.888 -8.302 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.116 -10.004 -7.582 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.356 -8.883 -7.769 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.652 -6.635 -8.588 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.008 -8.664 -7.518 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.312 -6.418 -8.340 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.504 -7.429 -7.808 1.00 0.00 C ATOM 0 H TRP A 34 -10.921 -9.617 -7.785 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.377 -6.926 -7.075 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.163 -8.400 -9.740 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.449 -6.835 -9.407 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.216 -10.447 -7.931 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.780 -10.893 -7.211 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.270 -5.849 -8.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.381 -9.442 -7.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.880 -5.453 -8.560 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.459 -7.228 -7.623 1.00 0.00 H new ATOM 556 N GLY A 35 -11.740 -5.447 -8.691 1.00 0.00 N ATOM 557 CA GLY A 35 -12.740 -4.595 -9.304 1.00 0.00 C ATOM 558 C GLY A 35 -12.696 -3.192 -8.742 1.00 0.00 C ATOM 559 O GLY A 35 -12.712 -2.213 -9.487 1.00 0.00 O ATOM 0 H GLY A 35 -10.881 -4.966 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.579 -4.561 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.730 -5.021 -9.143 1.00 0.00 H new ATOM 563 N GLY A 36 -12.623 -3.097 -7.419 1.00 0.00 N ATOM 564 CA GLY A 36 -12.555 -1.805 -6.765 1.00 0.00 C ATOM 565 C GLY A 36 -11.972 -1.903 -5.374 1.00 0.00 C ATOM 566 O GLY A 36 -10.773 -1.729 -5.195 1.00 0.00 O ATOM 0 H GLY A 36 -12.610 -3.896 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.948 -1.127 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.555 -1.374 -6.709 1.00 0.00 H new ATOM 570 N LYS A 37 -12.811 -2.194 -4.384 1.00 0.00 N ATOM 571 CA LYS A 37 -12.348 -2.307 -3.000 1.00 0.00 C ATOM 572 C LYS A 37 -12.629 -3.691 -2.421 1.00 0.00 C ATOM 573 O LYS A 37 -13.506 -4.417 -2.894 1.00 0.00 O ATOM 574 CB LYS A 37 -12.977 -1.202 -2.122 1.00 0.00 C ATOM 575 CG LYS A 37 -14.499 -1.029 -2.262 1.00 0.00 C ATOM 576 CD LYS A 37 -15.314 -2.145 -1.598 1.00 0.00 C ATOM 577 CE LYS A 37 -15.073 -2.230 -0.093 1.00 0.00 C ATOM 578 NZ LYS A 37 -15.989 -3.207 0.561 1.00 0.00 N ATOM 0 H LYS A 37 -13.810 -2.355 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.267 -2.171 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.748 -1.418 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.498 -0.253 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.788 -0.073 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.754 -0.987 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.375 -1.975 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.059 -3.100 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.039 -2.520 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.213 -1.246 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.520 -3.619 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.859 -2.721 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.228 -3.963 -0.112 1.00 0.00 H new ATOM 592 N VAL A 38 -11.868 -4.048 -1.397 1.00 0.00 N ATOM 593 CA VAL A 38 -12.074 -5.286 -0.660 1.00 0.00 C ATOM 594 C VAL A 38 -11.981 -4.992 0.832 1.00 0.00 C ATOM 595 O VAL A 38 -11.265 -4.076 1.238 1.00 0.00 O ATOM 596 CB VAL A 38 -11.029 -6.366 -1.051 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.640 -6.024 -0.513 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.470 -7.741 -0.577 1.00 0.00 C ATOM 0 H VAL A 38 -11.089 -3.486 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.060 -5.678 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.965 -6.383 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.935 -6.802 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.316 -5.067 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.677 -5.959 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.722 -8.481 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.579 -7.734 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.426 -7.995 -1.036 1.00 0.00 H new ATOM 608 N THR A 39 -12.712 -5.741 1.644 1.00 0.00 N ATOM 609 CA THR A 39 -12.692 -5.537 3.086 1.00 0.00 C ATOM 610 C THR A 39 -12.355 -6.842 3.801 1.00 0.00 C ATOM 611 O THR A 39 -12.993 -7.878 3.572 1.00 0.00 O ATOM 612 CB THR A 39 -14.044 -4.990 3.597 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.456 -3.871 2.795 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.948 -4.560 5.059 1.00 0.00 C ATOM 0 H THR A 39 -13.325 -6.494 1.331 1.00 0.00 H new ATOM 0 HA THR A 39 -11.922 -4.797 3.306 1.00 0.00 H new ATOM 0 HB THR A 39 -14.781 -5.789 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.989 -3.256 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.914 -4.180 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.665 -5.416 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.196 -3.777 5.159 1.00 0.00 H new ATOM 622 N LEU A 40 -11.338 -6.785 4.652 1.00 0.00 N ATOM 623 CA LEU A 40 -10.886 -7.947 5.403 1.00 0.00 C ATOM 624 C LEU A 40 -11.746 -8.151 6.644 1.00 0.00 C ATOM 625 O LEU A 40 -12.492 -7.256 7.048 1.00 0.00 O ATOM 626 CB LEU A 40 -9.411 -7.789 5.809 1.00 0.00 C ATOM 627 CG LEU A 40 -8.399 -7.725 4.651 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.704 -8.800 3.612 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.363 -6.333 4.019 1.00 0.00 C ATOM 0 H LEU A 40 -10.806 -5.935 4.840 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.982 -8.823 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.313 -6.880 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.141 -8.623 6.456 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.407 -7.920 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.978 -8.739 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.645 -9.784 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.707 -8.647 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.638 -6.322 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.350 -6.085 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.074 -5.599 4.771 1.00 0.00 H new ATOM 641 N ALA A 41 -11.613 -9.323 7.259 1.00 0.00 N ATOM 642 CA ALA A 41 -12.375 -9.660 8.462 1.00 0.00 C ATOM 643 C ALA A 41 -11.978 -8.768 9.639 1.00 0.00 C ATOM 644 O ALA A 41 -12.629 -8.774 10.686 1.00 0.00 O ATOM 645 CB ALA A 41 -12.179 -11.132 8.816 1.00 0.00 C ATOM 0 H ALA A 41 -10.982 -10.060 6.944 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.430 -9.485 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.751 -11.370 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.524 -11.754 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.122 -11.325 8.998 1.00 0.00 H new ATOM 651 N ASN A 42 -10.902 -8.006 9.460 1.00 0.00 N ATOM 652 CA ASN A 42 -10.407 -7.097 10.493 1.00 0.00 C ATOM 653 C ASN A 42 -11.063 -5.717 10.370 1.00 0.00 C ATOM 654 O ASN A 42 -10.977 -4.891 11.281 1.00 0.00 O ATOM 655 CB ASN A 42 -8.878 -6.978 10.396 1.00 0.00 C ATOM 656 CG ASN A 42 -8.291 -6.054 11.448 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.077 -4.867 11.199 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.040 -6.587 12.633 1.00 0.00 N ATOM 0 H ASN A 42 -10.351 -8.000 8.602 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.669 -7.506 11.469 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.434 -7.968 10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.609 -6.611 9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.655 -6.010 13.381 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.232 -7.575 12.799 1.00 0.00 H new ATOM 665 N GLY A 43 -11.725 -5.477 9.240 1.00 0.00 N ATOM 666 CA GLY A 43 -12.391 -4.201 9.015 1.00 0.00 C ATOM 667 C GLY A 43 -11.609 -3.288 8.088 1.00 0.00 C ATOM 668 O GLY A 43 -12.134 -2.278 7.612 1.00 0.00 O ATOM 0 H GLY A 43 -11.813 -6.144 8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.379 -4.381 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.540 -3.700 9.971 1.00 0.00 H new ATOM 672 N TRP A 44 -10.350 -3.639 7.838 1.00 0.00 N ATOM 673 CA TRP A 44 -9.506 -2.883 6.916 1.00 0.00 C ATOM 674 C TRP A 44 -9.981 -3.054 5.477 1.00 0.00 C ATOM 675 O TRP A 44 -10.410 -4.138 5.077 1.00 0.00 O ATOM 676 CB TRP A 44 -8.032 -3.310 7.043 1.00 0.00 C ATOM 677 CG TRP A 44 -7.252 -2.478 8.017 1.00 0.00 C ATOM 678 CD1 TRP A 44 -7.568 -2.229 9.319 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.026 -1.781 7.760 1.00 0.00 C ATOM 680 NE1 TRP A 44 -6.617 -1.417 9.888 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.659 -1.130 8.952 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.204 -1.645 6.637 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.506 -0.356 9.053 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.060 -0.877 6.737 1.00 0.00 C ATOM 685 CH2 TRP A 44 -3.720 -0.240 7.938 1.00 0.00 C ATOM 0 H TRP A 44 -9.891 -4.445 8.262 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.585 -1.829 7.183 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.989 -4.354 7.353 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.558 -3.249 6.063 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.439 -2.614 9.829 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.623 -1.082 10.851 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.459 -2.132 5.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.241 0.135 9.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.418 -0.766 5.876 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.820 0.355 7.985 1.00 0.00 H new ATOM 696 N GLN A 45 -9.910 -1.971 4.714 1.00 0.00 N ATOM 697 CA GLN A 45 -10.283 -1.986 3.302 1.00 0.00 C ATOM 698 C GLN A 45 -9.048 -1.751 2.439 1.00 0.00 C ATOM 699 O GLN A 45 -8.246 -0.863 2.730 1.00 0.00 O ATOM 700 CB GLN A 45 -11.331 -0.904 3.006 1.00 0.00 C ATOM 701 CG GLN A 45 -12.561 -0.960 3.904 1.00 0.00 C ATOM 702 CD GLN A 45 -13.573 0.121 3.567 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.497 -0.094 2.778 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.385 1.303 4.134 1.00 0.00 N ATOM 0 H GLN A 45 -9.595 -1.062 5.052 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.712 -2.961 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.864 0.075 3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.649 -0.997 1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.033 -1.938 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.253 -0.854 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.609 1.440 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.016 2.076 3.923 1.00 0.00 H new ATOM 713 N LEU A 46 -8.904 -2.540 1.382 1.00 0.00 N ATOM 714 CA LEU A 46 -7.773 -2.421 0.464 1.00 0.00 C ATOM 715 C LEU A 46 -8.307 -2.298 -0.967 1.00 0.00 C ATOM 716 O LEU A 46 -9.256 -2.993 -1.340 1.00 0.00 O ATOM 717 CB LEU A 46 -6.849 -3.651 0.618 1.00 0.00 C ATOM 718 CG LEU A 46 -5.362 -3.458 0.239 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.181 -3.214 -1.255 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.741 -2.321 1.049 1.00 0.00 C ATOM 0 H LEU A 46 -9.563 -3.278 1.135 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.187 -1.531 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.895 -3.983 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.253 -4.458 0.007 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.843 -4.385 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.122 -3.084 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.566 -4.068 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.726 -2.316 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.695 -2.202 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.279 -1.395 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.806 -2.554 2.112 1.00 0.00 H new ATOM 732 N GLU A 47 -7.724 -1.394 -1.752 1.00 0.00 N ATOM 733 CA GLU A 47 -8.175 -1.158 -3.120 1.00 0.00 C ATOM 734 C GLU A 47 -7.440 -2.062 -4.110 1.00 0.00 C ATOM 735 O GLU A 47 -6.227 -2.253 -4.015 1.00 0.00 O ATOM 736 CB GLU A 47 -7.966 0.309 -3.518 1.00 0.00 C ATOM 737 CG GLU A 47 -8.710 0.691 -4.792 1.00 0.00 C ATOM 738 CD GLU A 47 -8.504 2.138 -5.194 1.00 0.00 C ATOM 739 OE1 GLU A 47 -9.273 3.004 -4.731 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.579 2.415 -5.985 1.00 0.00 O ATOM 0 H GLU A 47 -6.937 -0.813 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.239 -1.391 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.298 0.952 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.901 0.494 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.380 0.044 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.775 0.508 -4.651 1.00 0.00 H new ATOM 747 N LEU A 48 -8.189 -2.610 -5.058 1.00 0.00 N ATOM 748 CA LEU A 48 -7.634 -3.447 -6.114 1.00 0.00 C ATOM 749 C LEU A 48 -7.637 -2.689 -7.441 1.00 0.00 C ATOM 750 O LEU A 48 -8.694 -2.243 -7.891 1.00 0.00 O ATOM 751 CB LEU A 48 -8.443 -4.748 -6.269 1.00 0.00 C ATOM 752 CG LEU A 48 -8.397 -5.725 -5.080 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.957 -6.022 -4.667 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.208 -5.192 -3.902 1.00 0.00 C ATOM 0 H LEU A 48 -9.200 -2.487 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.610 -3.701 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.484 -4.484 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.084 -5.271 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.850 -6.663 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.955 -6.715 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.423 -6.469 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.464 -5.095 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.159 -5.901 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.799 -4.234 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.247 -5.060 -4.205 1.00 0.00 H new ATOM 766 N PRO A 49 -6.460 -2.534 -8.087 1.00 0.00 N ATOM 767 CA PRO A 49 -6.351 -1.886 -9.411 1.00 0.00 C ATOM 768 C PRO A 49 -7.171 -2.589 -10.505 1.00 0.00 C ATOM 769 O PRO A 49 -7.231 -2.112 -11.637 1.00 0.00 O ATOM 770 CB PRO A 49 -4.849 -1.968 -9.734 1.00 0.00 C ATOM 771 CG PRO A 49 -4.178 -2.133 -8.412 1.00 0.00 C ATOM 772 CD PRO A 49 -5.133 -2.930 -7.564 1.00 0.00 C ATOM 0 HA PRO A 49 -6.746 -0.870 -9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.633 -2.808 -10.394 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.505 -1.067 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.225 -2.651 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.966 -1.165 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.964 -4.002 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.029 -2.690 -6.506 1.00 0.00 H new ATOM 780 N ALA A 50 -7.784 -3.725 -10.151 1.00 0.00 N ATOM 781 CA ALA A 50 -8.642 -4.491 -11.059 1.00 0.00 C ATOM 782 C ALA A 50 -7.838 -5.186 -12.161 1.00 0.00 C ATOM 783 O ALA A 50 -7.598 -4.621 -13.227 1.00 0.00 O ATOM 784 CB ALA A 50 -9.744 -3.612 -11.653 1.00 0.00 C ATOM 0 H ALA A 50 -7.698 -4.139 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.116 -5.273 -10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.364 -4.208 -12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.361 -3.209 -10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.294 -2.791 -12.211 1.00 0.00 H new ATOM 790 N MET A 51 -7.408 -6.413 -11.875 1.00 0.00 N ATOM 791 CA MET A 51 -6.737 -7.261 -12.857 1.00 0.00 C ATOM 792 C MET A 51 -6.779 -8.710 -12.372 1.00 0.00 C ATOM 793 O MET A 51 -6.396 -8.996 -11.237 1.00 0.00 O ATOM 794 CB MET A 51 -5.285 -6.801 -13.100 1.00 0.00 C ATOM 795 CG MET A 51 -4.353 -6.967 -11.905 1.00 0.00 C ATOM 796 SD MET A 51 -2.698 -6.312 -12.218 1.00 0.00 S ATOM 797 CE MET A 51 -2.248 -7.192 -13.716 1.00 0.00 C ATOM 0 H MET A 51 -7.515 -6.846 -10.958 1.00 0.00 H new ATOM 0 HA MET A 51 -7.258 -7.182 -13.811 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.877 -7.361 -13.941 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.295 -5.751 -13.392 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.783 -6.461 -11.041 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.279 -8.024 -11.651 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.166 -7.316 -13.754 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.726 -8.172 -13.720 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.578 -6.623 -14.585 1.00 0.00 H new ATOM 807 N ALA A 52 -7.265 -9.608 -13.229 1.00 0.00 N ATOM 808 CA ALA A 52 -7.503 -11.003 -12.856 1.00 0.00 C ATOM 809 C ALA A 52 -8.444 -11.069 -11.650 1.00 0.00 C ATOM 810 O ALA A 52 -8.000 -11.257 -10.514 1.00 0.00 O ATOM 811 CB ALA A 52 -6.190 -11.735 -12.576 1.00 0.00 C ATOM 0 H ALA A 52 -7.504 -9.391 -14.197 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.980 -11.509 -13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.401 -12.769 -12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.566 -11.717 -13.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.666 -11.242 -11.757 1.00 0.00 H new ATOM 817 N ALA A 53 -9.743 -10.900 -11.921 1.00 0.00 N ATOM 818 CA ALA A 53 -10.767 -10.757 -10.878 1.00 0.00 C ATOM 819 C ALA A 53 -10.620 -11.800 -9.775 1.00 0.00 C ATOM 820 O ALA A 53 -10.798 -11.490 -8.596 1.00 0.00 O ATOM 821 CB ALA A 53 -12.162 -10.815 -11.493 1.00 0.00 C ATOM 0 H ALA A 53 -10.115 -10.858 -12.870 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.623 -9.781 -10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.910 -10.708 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.275 -10.006 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.298 -11.772 -11.996 1.00 0.00 H new ATOM 827 N ASP A 54 -10.316 -13.031 -10.157 1.00 0.00 N ATOM 828 CA ASP A 54 -9.947 -14.059 -9.193 1.00 0.00 C ATOM 829 C ASP A 54 -8.598 -14.641 -9.587 1.00 0.00 C ATOM 830 O ASP A 54 -8.509 -15.520 -10.449 1.00 0.00 O ATOM 831 CB ASP A 54 -11.009 -15.164 -9.097 1.00 0.00 C ATOM 832 CG ASP A 54 -10.719 -16.131 -7.955 1.00 0.00 C ATOM 833 OD1 ASP A 54 -9.967 -17.107 -8.166 1.00 0.00 O ATOM 834 OD2 ASP A 54 -11.213 -15.899 -6.829 1.00 0.00 O ATOM 0 H ASP A 54 -10.317 -13.344 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.880 -13.603 -8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.990 -14.713 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.048 -15.714 -10.038 1.00 0.00 H new ATOM 839 N THR A 55 -7.547 -14.094 -8.994 1.00 0.00 N ATOM 840 CA THR A 55 -6.185 -14.513 -9.281 1.00 0.00 C ATOM 841 C THR A 55 -5.970 -15.980 -8.867 1.00 0.00 C ATOM 842 O THR A 55 -6.348 -16.376 -7.763 1.00 0.00 O ATOM 843 CB THR A 55 -5.186 -13.598 -8.533 1.00 0.00 C ATOM 844 OG1 THR A 55 -5.715 -12.261 -8.471 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.827 -13.577 -9.228 1.00 0.00 C ATOM 0 H THR A 55 -7.615 -13.348 -8.301 1.00 0.00 H new ATOM 0 HA THR A 55 -6.014 -14.430 -10.354 1.00 0.00 H new ATOM 0 HB THR A 55 -5.048 -13.993 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.084 -11.681 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.147 -12.926 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.418 -14.587 -9.257 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.944 -13.204 -10.245 1.00 0.00 H new ATOM 853 N PRO A 56 -5.385 -16.811 -9.753 1.00 0.00 N ATOM 854 CA PRO A 56 -5.131 -18.229 -9.463 1.00 0.00 C ATOM 855 C PRO A 56 -3.837 -18.452 -8.672 1.00 0.00 C ATOM 856 O PRO A 56 -3.481 -19.589 -8.356 1.00 0.00 O ATOM 857 CB PRO A 56 -5.020 -18.837 -10.862 1.00 0.00 C ATOM 858 CG PRO A 56 -4.419 -17.747 -11.686 1.00 0.00 C ATOM 859 CD PRO A 56 -4.950 -16.448 -11.122 1.00 0.00 C ATOM 0 HA PRO A 56 -5.909 -18.670 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.392 -19.728 -10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.996 -19.135 -11.246 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.331 -17.777 -11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.693 -17.856 -12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.182 -15.675 -11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.778 -16.062 -11.716 1.00 0.00 H new ATOM 867 N LEU A 57 -3.141 -17.362 -8.357 1.00 0.00 N ATOM 868 CA LEU A 57 -1.871 -17.431 -7.636 1.00 0.00 C ATOM 869 C LEU A 57 -1.710 -16.214 -6.722 1.00 0.00 C ATOM 870 O LEU A 57 -2.414 -15.216 -6.892 1.00 0.00 O ATOM 871 CB LEU A 57 -0.696 -17.548 -8.639 1.00 0.00 C ATOM 872 CG LEU A 57 -0.665 -16.521 -9.799 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.281 -15.122 -9.315 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.292 -16.984 -10.896 1.00 0.00 C ATOM 0 H LEU A 57 -3.437 -16.414 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.865 -18.320 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.237 -17.460 -8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.716 -18.549 -9.071 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.674 -16.461 -10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.272 -14.434 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.007 -14.780 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.710 -15.153 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.302 -16.252 -11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.296 -17.084 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.038 -17.947 -11.284 1.00 0.00 H new ATOM 886 N PRO A 58 -0.804 -16.286 -5.723 1.00 0.00 N ATOM 887 CA PRO A 58 -0.502 -15.142 -4.856 1.00 0.00 C ATOM 888 C PRO A 58 0.171 -14.011 -5.639 1.00 0.00 C ATOM 889 O PRO A 58 1.300 -14.154 -6.119 1.00 0.00 O ATOM 890 CB PRO A 58 0.446 -15.728 -3.796 1.00 0.00 C ATOM 891 CG PRO A 58 1.052 -16.923 -4.450 1.00 0.00 C ATOM 892 CD PRO A 58 -0.017 -17.481 -5.351 1.00 0.00 C ATOM 0 HA PRO A 58 -1.397 -14.697 -4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.209 -15.006 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.094 -16.003 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.940 -16.649 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.363 -17.659 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.410 -17.971 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.629 -18.223 -4.838 1.00 0.00 H new ATOM 900 N ILE A 59 -0.539 -12.901 -5.783 1.00 0.00 N ATOM 901 CA ILE A 59 -0.055 -11.759 -6.549 1.00 0.00 C ATOM 902 C ILE A 59 0.305 -10.602 -5.616 1.00 0.00 C ATOM 903 O ILE A 59 -0.365 -10.373 -4.608 1.00 0.00 O ATOM 904 CB ILE A 59 -1.120 -11.301 -7.580 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.633 -10.081 -8.383 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.446 -11.001 -6.883 1.00 0.00 C ATOM 907 CD1 ILE A 59 -1.621 -9.596 -9.426 1.00 0.00 C ATOM 0 H ILE A 59 -1.464 -12.766 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 59 0.841 -12.066 -7.088 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.279 -12.117 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.420 -9.265 -7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.305 -10.334 -8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.181 -10.681 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.804 -11.899 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.300 -10.208 -6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.205 -8.735 -9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.816 -10.395 -10.141 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.553 -9.309 -8.939 1.00 0.00 H new ATOM 919 N THR A 60 1.377 -9.889 -5.945 1.00 0.00 N ATOM 920 CA THR A 60 1.821 -8.750 -5.152 1.00 0.00 C ATOM 921 C THR A 60 1.583 -7.446 -5.917 1.00 0.00 C ATOM 922 O THR A 60 2.177 -7.218 -6.971 1.00 0.00 O ATOM 923 CB THR A 60 3.320 -8.874 -4.790 1.00 0.00 C ATOM 924 OG1 THR A 60 3.572 -10.159 -4.199 1.00 0.00 O ATOM 925 CG2 THR A 60 3.746 -7.772 -3.820 1.00 0.00 C ATOM 0 H THR A 60 1.957 -10.082 -6.761 1.00 0.00 H new ATOM 0 HA THR A 60 1.241 -8.739 -4.229 1.00 0.00 H new ATOM 0 HB THR A 60 3.901 -8.769 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.523 -10.234 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.804 -7.884 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.578 -6.798 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.160 -7.847 -2.904 1.00 0.00 H new ATOM 933 N VAL A 61 0.701 -6.608 -5.383 1.00 0.00 N ATOM 934 CA VAL A 61 0.376 -5.315 -5.982 1.00 0.00 C ATOM 935 C VAL A 61 0.575 -4.204 -4.957 1.00 0.00 C ATOM 936 O VAL A 61 0.959 -4.471 -3.815 1.00 0.00 O ATOM 937 CB VAL A 61 -1.078 -5.279 -6.523 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.233 -6.225 -7.713 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.081 -5.621 -5.419 1.00 0.00 C ATOM 0 H VAL A 61 0.190 -6.804 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 61 1.048 -5.162 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.289 -4.265 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.259 -6.185 -8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.553 -5.923 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.998 -7.243 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.093 -5.589 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.875 -6.621 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.991 -4.897 -4.609 1.00 0.00 H new ATOM 949 N GLU A 62 0.348 -2.961 -5.361 1.00 0.00 N ATOM 950 CA GLU A 62 0.521 -1.834 -4.455 1.00 0.00 C ATOM 951 C GLU A 62 -0.621 -1.767 -3.445 1.00 0.00 C ATOM 952 O GLU A 62 -1.761 -2.121 -3.754 1.00 0.00 O ATOM 953 CB GLU A 62 0.614 -0.516 -5.225 1.00 0.00 C ATOM 954 CG GLU A 62 -0.691 -0.059 -5.865 1.00 0.00 C ATOM 955 CD GLU A 62 -0.598 1.367 -6.376 1.00 0.00 C ATOM 956 OE1 GLU A 62 -0.441 2.284 -5.544 1.00 0.00 O ATOM 957 OE2 GLU A 62 -0.653 1.577 -7.604 1.00 0.00 O ATOM 0 H GLU A 62 0.046 -2.709 -6.302 1.00 0.00 H new ATOM 0 HA GLU A 62 1.457 -1.987 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.962 0.262 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.369 -0.619 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.944 -0.725 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.499 -0.132 -5.137 1.00 0.00 H new ATOM 964 N ALA A 63 -0.304 -1.316 -2.238 1.00 0.00 N ATOM 965 CA ALA A 63 -1.297 -1.177 -1.182 1.00 0.00 C ATOM 966 C ALA A 63 -1.918 0.214 -1.210 1.00 0.00 C ATOM 967 O ALA A 63 -1.208 1.219 -1.262 1.00 0.00 O ATOM 968 CB ALA A 63 -0.669 -1.451 0.181 1.00 0.00 C ATOM 0 H ALA A 63 0.639 -1.039 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.085 -1.910 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.425 -1.343 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.271 -2.466 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.139 -0.741 0.359 1.00 0.00 H new ATOM 974 N ARG A 64 -3.241 0.262 -1.204 1.00 0.00 N ATOM 975 CA ARG A 64 -3.972 1.517 -1.103 1.00 0.00 C ATOM 976 C ARG A 64 -5.239 1.271 -0.299 1.00 0.00 C ATOM 977 O ARG A 64 -6.219 0.739 -0.817 1.00 0.00 O ATOM 978 CB ARG A 64 -4.293 2.061 -2.507 1.00 0.00 C ATOM 979 CG ARG A 64 -4.920 3.457 -2.516 1.00 0.00 C ATOM 980 CD ARG A 64 -4.673 4.179 -3.840 1.00 0.00 C ATOM 981 NE ARG A 64 -5.146 3.410 -4.995 1.00 0.00 N ATOM 982 CZ ARG A 64 -4.395 3.094 -6.056 1.00 0.00 C ATOM 983 NH1 ARG A 64 -3.116 3.449 -6.107 1.00 0.00 N ATOM 984 NH2 ARG A 64 -4.932 2.416 -7.062 1.00 0.00 N ATOM 0 H ARG A 64 -3.837 -0.563 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.367 2.269 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.374 2.085 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.971 1.368 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.993 3.375 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.507 4.047 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.175 5.147 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.606 4.375 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.116 3.094 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.699 3.967 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.551 3.204 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.913 2.138 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.364 2.172 -7.874 1.00 0.00 H new ATOM 998 N LYS A 65 -5.202 1.624 0.982 1.00 0.00 N ATOM 999 CA LYS A 65 -6.291 1.308 1.889 1.00 0.00 C ATOM 1000 C LYS A 65 -7.342 2.413 1.884 1.00 0.00 C ATOM 1001 O LYS A 65 -7.045 3.567 1.562 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.739 1.051 3.308 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.198 2.282 4.049 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.300 3.059 4.775 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.015 2.201 5.817 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.200 2.892 6.390 1.00 0.00 N ATOM 0 H LYS A 65 -4.427 2.129 1.412 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.782 0.397 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.532 0.607 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.940 0.313 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.445 1.966 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.701 2.941 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.867 3.933 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.025 3.425 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.329 1.262 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.320 1.949 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.959 2.201 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.938 3.340 7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.533 3.620 5.726 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.570 2.048 2.233 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.676 2.995 2.293 1.00 0.00 C ATOM 1022 C LEU A 66 -10.009 3.294 3.756 1.00 0.00 C ATOM 1023 O LEU A 66 -10.715 2.484 4.390 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.913 2.449 1.552 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.736 2.195 0.039 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.810 1.010 -0.226 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -12.087 1.970 -0.632 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.515 4.314 4.283 1.00 0.00 O ATOM 0 H LEU A 66 -8.826 1.092 2.481 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.378 3.919 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.212 1.514 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.734 3.152 1.689 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.274 3.084 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.709 0.861 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.830 1.210 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.230 0.112 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.939 1.793 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.576 1.104 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.713 2.852 -0.494 1.00 0.00 H new