USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 65:sc= 1.12 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -94:sc= 0.348 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 62:sc= 1.05 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.314 K(o=-0.31,f=-5.1!) USER MOD Single : A 30 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.48) USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= 1.05 (180deg=-0.363) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.741 (180deg=-1.53) USER MOD Single : A 48 MET CE :methyl -142:sc= -0.632 (180deg=-2.65!) USER MOD Single : A 52 ASN : amide:sc= -2.56! C(o=-2.6!,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -138:sc= -2.56 (180deg=-4.7!) USER MOD Single : A 62 MET CE :methyl 178:sc= -1.65 (180deg=-1.67) USER MOD Single : A 66 THR OG1 : rot 100:sc= 1.19 USER MOD Single : A 69 SER OG : rot -57:sc= 1.16 USER MOD Single : A 70 MET CE :methyl 131:sc= -4.7! (180deg=-5.24!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.530 25.732 2.331 1.00 0.00 N ATOM 2 CA MET A 1 -5.070 25.444 2.413 1.00 0.00 C ATOM 3 C MET A 1 -4.853 23.935 2.537 1.00 0.00 C ATOM 4 O MET A 1 -4.279 23.308 1.669 1.00 0.00 O ATOM 5 CB MET A 1 -4.480 26.146 3.638 1.00 0.00 C ATOM 6 CG MET A 1 -3.623 27.329 3.185 1.00 0.00 C ATOM 7 SD MET A 1 -3.174 28.335 4.621 1.00 0.00 S ATOM 8 CE MET A 1 -4.622 29.421 4.597 1.00 0.00 C ATOM 0 H1 MET A 1 -6.677 26.758 2.247 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.932 25.255 1.499 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.001 25.384 3.190 1.00 0.00 H new ATOM 0 HA MET A 1 -4.577 25.809 1.512 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.280 26.492 4.292 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.876 25.446 4.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.724 26.970 2.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.171 27.933 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.553 30.138 5.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.660 29.956 3.648 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.527 28.824 4.713 1.00 0.00 H new ATOM 20 N THR A 2 -5.308 23.347 3.609 1.00 0.00 N ATOM 21 CA THR A 2 -5.126 21.878 3.786 1.00 0.00 C ATOM 22 C THR A 2 -6.407 21.271 4.361 1.00 0.00 C ATOM 23 O THR A 2 -6.616 21.254 5.558 1.00 0.00 O ATOM 24 CB THR A 2 -3.963 21.621 4.747 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.810 22.315 4.287 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.669 20.122 4.804 1.00 0.00 C ATOM 0 H THR A 2 -5.797 23.819 4.369 1.00 0.00 H new ATOM 0 HA THR A 2 -4.908 21.420 2.821 1.00 0.00 H new ATOM 0 HB THR A 2 -4.228 21.975 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.064 22.153 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.841 19.939 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.554 19.591 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.403 19.765 3.809 1.00 0.00 H new ATOM 34 N PHE A 3 -7.265 20.769 3.516 1.00 0.00 N ATOM 35 CA PHE A 3 -8.532 20.160 4.011 1.00 0.00 C ATOM 36 C PHE A 3 -9.147 19.304 2.902 1.00 0.00 C ATOM 37 O PHE A 3 -10.347 19.277 2.719 1.00 0.00 O ATOM 38 CB PHE A 3 -9.514 21.266 4.403 1.00 0.00 C ATOM 39 CG PHE A 3 -10.579 20.696 5.308 1.00 0.00 C ATOM 40 CD1 PHE A 3 -10.352 20.605 6.686 1.00 0.00 C ATOM 41 CD2 PHE A 3 -11.796 20.258 4.770 1.00 0.00 C ATOM 42 CE1 PHE A 3 -11.339 20.075 7.526 1.00 0.00 C ATOM 43 CE2 PHE A 3 -12.783 19.728 5.609 1.00 0.00 C ATOM 44 CZ PHE A 3 -12.554 19.637 6.987 1.00 0.00 C ATOM 0 H PHE A 3 -7.143 20.754 2.503 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.322 19.538 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.985 22.074 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.971 21.694 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.415 20.944 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.973 20.329 3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.163 20.004 8.589 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.721 19.389 5.194 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.316 19.228 7.635 1.00 0.00 H new ATOM 54 N ILE A 4 -8.332 18.605 2.160 1.00 0.00 N ATOM 55 CA ILE A 4 -8.873 17.756 1.064 1.00 0.00 C ATOM 56 C ILE A 4 -8.627 16.279 1.390 1.00 0.00 C ATOM 57 O ILE A 4 -7.505 15.815 1.426 1.00 0.00 O ATOM 58 CB ILE A 4 -8.182 18.127 -0.254 1.00 0.00 C ATOM 59 CG1 ILE A 4 -8.979 17.554 -1.430 1.00 0.00 C ATOM 60 CG2 ILE A 4 -6.761 17.563 -0.277 1.00 0.00 C ATOM 61 CD1 ILE A 4 -8.915 16.025 -1.401 1.00 0.00 C ATOM 0 H ILE A 4 -7.318 18.586 2.266 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.946 17.923 0.965 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.136 19.213 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.016 17.885 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.575 17.927 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.278 17.831 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.192 17.977 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.799 16.477 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.483 15.621 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.877 15.703 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.340 15.661 -0.466 1.00 0.00 H new ATOM 73 N THR A 5 -9.673 15.537 1.632 1.00 0.00 N ATOM 74 CA THR A 5 -9.506 14.091 1.957 1.00 0.00 C ATOM 75 C THR A 5 -10.282 13.254 0.941 1.00 0.00 C ATOM 76 O THR A 5 -11.235 12.578 1.276 1.00 0.00 O ATOM 77 CB THR A 5 -10.046 13.816 3.363 1.00 0.00 C ATOM 78 OG1 THR A 5 -11.465 13.898 3.347 1.00 0.00 O ATOM 79 CG2 THR A 5 -9.482 14.847 4.341 1.00 0.00 C ATOM 0 H THR A 5 -10.637 15.870 1.619 1.00 0.00 H new ATOM 0 HA THR A 5 -8.449 13.828 1.918 1.00 0.00 H new ATOM 0 HB THR A 5 -9.743 12.818 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.828 13.179 2.788 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.868 14.649 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.394 14.781 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.781 15.847 4.028 1.00 0.00 H new ATOM 87 N LYS A 6 -9.885 13.297 -0.300 1.00 0.00 N ATOM 88 CA LYS A 6 -10.602 12.507 -1.338 1.00 0.00 C ATOM 89 C LYS A 6 -9.752 11.302 -1.743 1.00 0.00 C ATOM 90 O LYS A 6 -9.663 10.955 -2.904 1.00 0.00 O ATOM 91 CB LYS A 6 -10.852 13.388 -2.564 1.00 0.00 C ATOM 92 CG LYS A 6 -12.049 12.844 -3.345 1.00 0.00 C ATOM 93 CD LYS A 6 -13.298 12.888 -2.463 1.00 0.00 C ATOM 94 CE LYS A 6 -14.526 13.169 -3.331 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.926 14.596 -3.177 1.00 0.00 N ATOM 0 H LYS A 6 -9.095 13.845 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.554 12.160 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.042 14.416 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.967 13.406 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.207 13.435 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.853 11.821 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.419 11.940 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.192 13.662 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.303 12.953 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.348 12.516 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.761 14.788 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.155 14.787 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.142 15.210 -3.476 1.00 0.00 H new ATOM 109 N THR A 7 -9.127 10.660 -0.795 1.00 0.00 N ATOM 110 CA THR A 7 -8.285 9.478 -1.128 1.00 0.00 C ATOM 111 C THR A 7 -8.774 8.265 -0.331 1.00 0.00 C ATOM 112 O THR A 7 -9.193 8.399 0.801 1.00 0.00 O ATOM 113 CB THR A 7 -6.825 9.770 -0.768 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.764 10.945 0.029 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.012 9.973 -2.047 1.00 0.00 C ATOM 0 H THR A 7 -9.163 10.903 0.195 1.00 0.00 H new ATOM 0 HA THR A 7 -8.359 9.268 -2.195 1.00 0.00 H new ATOM 0 HB THR A 7 -6.411 8.930 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.595 11.721 -0.545 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.974 10.181 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.061 9.071 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.421 10.813 -2.609 1.00 0.00 H new ATOM 123 N PRO A 8 -8.701 7.112 -0.947 1.00 0.00 N ATOM 124 CA PRO A 8 -9.126 5.850 -0.318 1.00 0.00 C ATOM 125 C PRO A 8 -8.054 5.365 0.665 1.00 0.00 C ATOM 126 O PRO A 8 -6.995 5.953 0.759 1.00 0.00 O ATOM 127 CB PRO A 8 -9.263 4.887 -1.502 1.00 0.00 C ATOM 128 CG PRO A 8 -8.388 5.465 -2.638 1.00 0.00 C ATOM 129 CD PRO A 8 -8.189 6.960 -2.325 1.00 0.00 C ATOM 0 HA PRO A 8 -10.048 5.940 0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.932 3.885 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.303 4.804 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.429 4.949 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.873 5.333 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.139 7.245 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.737 7.590 -3.025 1.00 0.00 H new ATOM 137 N PRO A 9 -8.363 4.305 1.365 1.00 0.00 N ATOM 138 CA PRO A 9 -7.442 3.714 2.351 1.00 0.00 C ATOM 139 C PRO A 9 -6.358 2.899 1.641 1.00 0.00 C ATOM 140 O PRO A 9 -6.611 2.246 0.649 1.00 0.00 O ATOM 141 CB PRO A 9 -8.350 2.813 3.192 1.00 0.00 C ATOM 142 CG PRO A 9 -9.589 2.500 2.318 1.00 0.00 C ATOM 143 CD PRO A 9 -9.654 3.598 1.240 1.00 0.00 C ATOM 0 HA PRO A 9 -6.916 4.456 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.833 1.896 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.643 3.311 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.503 1.514 1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.497 2.494 2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.780 3.172 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.495 4.271 1.407 1.00 0.00 H new ATOM 151 N ALA A 10 -5.150 2.936 2.133 1.00 0.00 N ATOM 152 CA ALA A 10 -4.056 2.167 1.476 1.00 0.00 C ATOM 153 C ALA A 10 -4.339 0.668 1.600 1.00 0.00 C ATOM 154 O ALA A 10 -3.750 -0.144 0.915 1.00 0.00 O ATOM 155 CB ALA A 10 -2.719 2.491 2.148 1.00 0.00 C ATOM 0 H ALA A 10 -4.874 3.465 2.960 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.006 2.443 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.922 1.926 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.515 3.558 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.767 2.220 3.203 1.00 0.00 H new ATOM 161 N ALA A 11 -5.236 0.291 2.468 1.00 0.00 N ATOM 162 CA ALA A 11 -5.547 -1.158 2.628 1.00 0.00 C ATOM 163 C ALA A 11 -6.453 -1.622 1.485 1.00 0.00 C ATOM 164 O ALA A 11 -6.889 -2.755 1.448 1.00 0.00 O ATOM 165 CB ALA A 11 -6.257 -1.380 3.965 1.00 0.00 C ATOM 0 H ALA A 11 -5.766 0.920 3.071 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.620 -1.731 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.485 -2.439 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.610 -1.055 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.183 -0.805 3.985 1.00 0.00 H new ATOM 171 N VAL A 12 -6.744 -0.756 0.551 1.00 0.00 N ATOM 172 CA VAL A 12 -7.625 -1.151 -0.581 1.00 0.00 C ATOM 173 C VAL A 12 -6.844 -1.072 -1.899 1.00 0.00 C ATOM 174 O VAL A 12 -7.084 -1.828 -2.819 1.00 0.00 O ATOM 175 CB VAL A 12 -8.829 -0.205 -0.627 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.436 1.115 -1.296 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.957 -0.858 -1.420 1.00 0.00 C ATOM 0 H VAL A 12 -6.409 0.207 0.525 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.971 -2.175 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.162 -0.003 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.299 1.780 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.633 1.586 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.096 0.920 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.815 -0.186 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.617 -1.063 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.247 -1.792 -0.939 1.00 0.00 H new ATOM 187 N LEU A 13 -5.918 -0.158 -1.998 1.00 0.00 N ATOM 188 CA LEU A 13 -5.130 -0.026 -3.259 1.00 0.00 C ATOM 189 C LEU A 13 -3.925 -0.967 -3.219 1.00 0.00 C ATOM 190 O LEU A 13 -3.651 -1.680 -4.163 1.00 0.00 O ATOM 191 CB LEU A 13 -4.637 1.416 -3.406 1.00 0.00 C ATOM 192 CG LEU A 13 -5.814 2.380 -3.258 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.295 3.818 -3.229 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.764 2.207 -4.445 1.00 0.00 C ATOM 0 H LEU A 13 -5.672 0.503 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.766 -0.286 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.881 1.631 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.163 1.551 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.345 2.166 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.134 4.506 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.615 3.943 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.765 4.032 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.604 2.894 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.232 2.422 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.134 1.182 -4.469 1.00 0.00 H new ATOM 206 N LEU A 14 -3.198 -0.969 -2.137 1.00 0.00 N ATOM 207 CA LEU A 14 -2.008 -1.861 -2.044 1.00 0.00 C ATOM 208 C LEU A 14 -2.420 -3.296 -2.376 1.00 0.00 C ATOM 209 O LEU A 14 -1.920 -3.895 -3.308 1.00 0.00 O ATOM 210 CB LEU A 14 -1.437 -1.802 -0.627 1.00 0.00 C ATOM 211 CG LEU A 14 -1.109 -0.351 -0.274 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.344 -0.305 1.051 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.248 0.258 -1.380 1.00 0.00 C ATOM 0 H LEU A 14 -3.375 -0.393 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.248 -1.532 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.156 -2.208 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.540 -2.417 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.034 0.217 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.111 0.730 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.957 -0.740 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.582 -0.873 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.013 1.293 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.677 -0.311 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.793 0.227 -2.324 1.00 0.00 H new ATOM 225 N LYS A 15 -3.330 -3.854 -1.625 1.00 0.00 N ATOM 226 CA LYS A 15 -3.773 -5.249 -1.905 1.00 0.00 C ATOM 227 C LYS A 15 -4.161 -5.369 -3.380 1.00 0.00 C ATOM 228 O LYS A 15 -4.116 -6.435 -3.961 1.00 0.00 O ATOM 229 CB LYS A 15 -4.987 -5.584 -1.036 1.00 0.00 C ATOM 230 CG LYS A 15 -4.531 -5.886 0.393 1.00 0.00 C ATOM 231 CD LYS A 15 -5.634 -6.653 1.125 1.00 0.00 C ATOM 232 CE LYS A 15 -6.612 -5.662 1.759 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.126 -6.223 3.040 1.00 0.00 N ATOM 0 H LYS A 15 -3.785 -3.405 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.961 -5.941 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.688 -4.749 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.516 -6.443 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.613 -6.473 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.307 -4.958 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.161 -7.305 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.199 -7.292 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.115 -4.709 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.440 -5.465 1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.791 -5.550 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.615 -7.122 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.331 -6.389 3.690 1.00 0.00 H new ATOM 247 N LYS A 16 -4.548 -4.282 -3.987 1.00 0.00 N ATOM 248 CA LYS A 16 -4.946 -4.326 -5.421 1.00 0.00 C ATOM 249 C LYS A 16 -3.722 -4.623 -6.291 1.00 0.00 C ATOM 250 O LYS A 16 -3.780 -5.414 -7.212 1.00 0.00 O ATOM 251 CB LYS A 16 -5.537 -2.973 -5.826 1.00 0.00 C ATOM 252 CG LYS A 16 -6.207 -3.098 -7.196 1.00 0.00 C ATOM 253 CD LYS A 16 -5.207 -2.718 -8.290 1.00 0.00 C ATOM 254 CE LYS A 16 -5.855 -1.718 -9.250 1.00 0.00 C ATOM 255 NZ LYS A 16 -4.936 -0.563 -9.460 1.00 0.00 N ATOM 0 H LYS A 16 -4.606 -3.362 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.689 -5.111 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.263 -2.644 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.752 -2.217 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.559 -4.118 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.081 -2.448 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.312 -2.283 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.891 -3.608 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.073 -2.201 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.805 -1.371 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.376 0.117 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.750 -0.098 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.040 -0.901 -9.865 1.00 0.00 H new ATOM 269 N ALA A 17 -2.616 -3.991 -6.012 1.00 0.00 N ATOM 270 CA ALA A 17 -1.391 -4.230 -6.826 1.00 0.00 C ATOM 271 C ALA A 17 -1.103 -5.733 -6.906 1.00 0.00 C ATOM 272 O ALA A 17 -0.691 -6.240 -7.930 1.00 0.00 O ATOM 273 CB ALA A 17 -0.202 -3.518 -6.179 1.00 0.00 C ATOM 0 H ALA A 17 -2.507 -3.318 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.548 -3.841 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.694 -3.693 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.402 -2.448 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.050 -3.906 -5.172 1.00 0.00 H new ATOM 279 N ALA A 18 -1.314 -6.448 -5.835 1.00 0.00 N ATOM 280 CA ALA A 18 -1.045 -7.914 -5.855 1.00 0.00 C ATOM 281 C ALA A 18 -2.208 -8.645 -6.529 1.00 0.00 C ATOM 282 O ALA A 18 -2.021 -9.636 -7.206 1.00 0.00 O ATOM 283 CB ALA A 18 -0.885 -8.423 -4.422 1.00 0.00 C ATOM 0 H ALA A 18 -1.660 -6.081 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.129 -8.103 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.688 -9.495 -4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.052 -7.908 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.800 -8.230 -3.863 1.00 0.00 H new ATOM 289 N GLY A 19 -3.409 -8.165 -6.352 1.00 0.00 N ATOM 290 CA GLY A 19 -4.579 -8.837 -6.985 1.00 0.00 C ATOM 291 C GLY A 19 -5.360 -9.617 -5.925 1.00 0.00 C ATOM 292 O GLY A 19 -6.261 -10.373 -6.235 1.00 0.00 O ATOM 0 H GLY A 19 -3.630 -7.338 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.226 -8.096 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.242 -9.511 -7.772 1.00 0.00 H new ATOM 296 N ILE A 20 -5.026 -9.441 -4.675 1.00 0.00 N ATOM 297 CA ILE A 20 -5.752 -10.173 -3.599 1.00 0.00 C ATOM 298 C ILE A 20 -7.173 -9.619 -3.475 1.00 0.00 C ATOM 299 O ILE A 20 -7.389 -8.556 -2.926 1.00 0.00 O ATOM 300 CB ILE A 20 -5.015 -9.991 -2.270 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.517 -10.224 -2.484 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.546 -10.997 -1.248 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.723 -9.134 -1.762 1.00 0.00 C ATOM 0 H ILE A 20 -4.282 -8.822 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.796 -11.234 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.178 -8.979 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.233 -11.206 -2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.285 -10.213 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.020 -10.866 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.613 -10.833 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.384 -12.010 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.656 -9.300 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.999 -8.158 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.947 -9.167 -0.696 1.00 0.00 H new ATOM 315 N GLU A 21 -8.144 -10.328 -3.983 1.00 0.00 N ATOM 316 CA GLU A 21 -9.549 -9.840 -3.896 1.00 0.00 C ATOM 317 C GLU A 21 -9.948 -9.682 -2.427 1.00 0.00 C ATOM 318 O GLU A 21 -9.135 -9.818 -1.535 1.00 0.00 O ATOM 319 CB GLU A 21 -10.483 -10.848 -4.572 1.00 0.00 C ATOM 320 CG GLU A 21 -10.025 -11.078 -6.014 1.00 0.00 C ATOM 321 CD GLU A 21 -11.026 -11.989 -6.728 1.00 0.00 C ATOM 322 OE1 GLU A 21 -12.057 -11.490 -7.147 1.00 0.00 O ATOM 323 OE2 GLU A 21 -10.743 -13.171 -6.844 1.00 0.00 O ATOM 0 H GLU A 21 -8.025 -11.224 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.628 -8.876 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.478 -11.790 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.508 -10.476 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.946 -10.126 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.034 -11.531 -6.024 1.00 0.00 H new ATOM 330 N SER A 22 -11.195 -9.394 -2.170 1.00 0.00 N ATOM 331 CA SER A 22 -11.646 -9.225 -0.758 1.00 0.00 C ATOM 332 C SER A 22 -12.150 -10.566 -0.217 1.00 0.00 C ATOM 333 O SER A 22 -12.889 -10.618 0.747 1.00 0.00 O ATOM 334 CB SER A 22 -12.771 -8.185 -0.706 1.00 0.00 C ATOM 335 OG SER A 22 -13.980 -8.807 -0.284 1.00 0.00 O ATOM 0 H SER A 22 -11.921 -9.268 -2.876 1.00 0.00 H new ATOM 0 HA SER A 22 -10.812 -8.884 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.505 -7.381 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.907 -7.733 -1.688 1.00 0.00 H new ATOM 0 HG SER A 22 -13.863 -9.172 0.618 1.00 0.00 H new ATOM 341 N GLY A 23 -11.760 -11.651 -0.827 1.00 0.00 N ATOM 342 CA GLY A 23 -12.222 -12.982 -0.341 1.00 0.00 C ATOM 343 C GLY A 23 -12.073 -14.015 -1.459 1.00 0.00 C ATOM 344 O GLY A 23 -12.110 -13.687 -2.628 1.00 0.00 O ATOM 0 H GLY A 23 -11.143 -11.674 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.639 -13.285 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.263 -12.923 -0.022 1.00 0.00 H new ATOM 348 N SER A 24 -11.904 -15.262 -1.109 1.00 0.00 N ATOM 349 CA SER A 24 -11.754 -16.314 -2.153 1.00 0.00 C ATOM 350 C SER A 24 -12.072 -17.684 -1.551 1.00 0.00 C ATOM 351 O SER A 24 -11.343 -18.638 -1.735 1.00 0.00 O ATOM 352 CB SER A 24 -10.317 -16.309 -2.675 1.00 0.00 C ATOM 353 OG SER A 24 -9.428 -16.045 -1.598 1.00 0.00 O ATOM 0 H SER A 24 -11.864 -15.596 -0.146 1.00 0.00 H new ATOM 0 HA SER A 24 -12.442 -16.111 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.080 -17.270 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.202 -15.552 -3.451 1.00 0.00 H new ATOM 0 HG SER A 24 -8.505 -16.043 -1.928 1.00 0.00 H new ATOM 359 N GLY A 25 -13.158 -17.790 -0.832 1.00 0.00 N ATOM 360 CA GLY A 25 -13.521 -19.100 -0.222 1.00 0.00 C ATOM 361 C GLY A 25 -12.866 -19.227 1.155 1.00 0.00 C ATOM 362 O GLY A 25 -13.528 -19.189 2.173 1.00 0.00 O ATOM 0 H GLY A 25 -13.808 -17.027 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.604 -19.181 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.194 -19.916 -0.867 1.00 0.00 H new ATOM 366 N GLU A 26 -11.570 -19.378 1.195 1.00 0.00 N ATOM 367 CA GLU A 26 -10.875 -19.508 2.506 1.00 0.00 C ATOM 368 C GLU A 26 -9.726 -18.499 2.578 1.00 0.00 C ATOM 369 O GLU A 26 -8.585 -18.843 2.338 1.00 0.00 O ATOM 370 CB GLU A 26 -10.318 -20.926 2.650 1.00 0.00 C ATOM 371 CG GLU A 26 -11.425 -21.941 2.353 1.00 0.00 C ATOM 372 CD GLU A 26 -11.507 -22.954 3.497 1.00 0.00 C ATOM 373 OE1 GLU A 26 -12.237 -22.695 4.439 1.00 0.00 O ATOM 374 OE2 GLU A 26 -10.837 -23.970 3.411 1.00 0.00 O ATOM 0 H GLU A 26 -10.963 -19.417 0.376 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.582 -19.311 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.483 -21.072 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.933 -21.076 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.381 -21.430 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.221 -22.453 1.413 1.00 0.00 H new ATOM 381 N PRO A 27 -10.067 -17.278 2.904 1.00 0.00 N ATOM 382 CA PRO A 27 -9.089 -16.181 3.022 1.00 0.00 C ATOM 383 C PRO A 27 -8.369 -16.240 4.375 1.00 0.00 C ATOM 384 O PRO A 27 -8.190 -15.235 5.035 1.00 0.00 O ATOM 385 CB PRO A 27 -9.955 -14.922 2.929 1.00 0.00 C ATOM 386 CG PRO A 27 -11.388 -15.345 3.337 1.00 0.00 C ATOM 387 CD PRO A 27 -11.462 -16.875 3.179 1.00 0.00 C ATOM 0 HA PRO A 27 -8.310 -16.222 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.578 -14.142 3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.943 -14.516 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.600 -15.052 4.365 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.130 -14.855 2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.843 -17.351 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.127 -17.160 2.364 1.00 0.00 H new ATOM 395 N ASN A 28 -7.957 -17.406 4.797 1.00 0.00 N ATOM 396 CA ASN A 28 -7.256 -17.517 6.108 1.00 0.00 C ATOM 397 C ASN A 28 -5.901 -18.210 5.918 1.00 0.00 C ATOM 398 O ASN A 28 -5.066 -18.207 6.800 1.00 0.00 O ATOM 399 CB ASN A 28 -8.112 -18.338 7.074 1.00 0.00 C ATOM 400 CG ASN A 28 -9.263 -17.476 7.596 1.00 0.00 C ATOM 401 OD1 ASN A 28 -9.878 -16.744 6.845 1.00 0.00 O ATOM 402 ND2 ASN A 28 -9.585 -17.532 8.859 1.00 0.00 N ATOM 0 H ASN A 28 -8.076 -18.284 4.291 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.096 -16.518 6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.505 -19.220 6.569 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.503 -18.692 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.352 -16.962 9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.070 -18.146 9.490 1.00 0.00 H new ATOM 409 N ARG A 29 -5.675 -18.803 4.777 1.00 0.00 N ATOM 410 CA ARG A 29 -4.374 -19.494 4.544 1.00 0.00 C ATOM 411 C ARG A 29 -3.881 -19.198 3.127 1.00 0.00 C ATOM 412 O ARG A 29 -4.661 -18.975 2.222 1.00 0.00 O ATOM 413 CB ARG A 29 -4.560 -21.005 4.710 1.00 0.00 C ATOM 414 CG ARG A 29 -4.084 -21.431 6.100 1.00 0.00 C ATOM 415 CD ARG A 29 -4.254 -22.944 6.255 1.00 0.00 C ATOM 416 NE ARG A 29 -2.935 -23.564 6.566 1.00 0.00 N ATOM 417 CZ ARG A 29 -2.417 -24.441 5.751 1.00 0.00 C ATOM 418 NH1 ARG A 29 -2.302 -24.163 4.481 1.00 0.00 N ATOM 419 NH2 ARG A 29 -2.015 -25.596 6.204 1.00 0.00 N ATOM 0 H ARG A 29 -6.333 -18.839 3.998 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.641 -19.134 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.609 -21.269 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.998 -21.537 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.039 -21.156 6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.655 -20.909 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.966 -23.161 7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.661 -23.371 5.338 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.437 -23.302 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.617 -23.260 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.897 -24.849 3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.106 -25.814 7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.610 -26.281 5.566 1.00 0.00 H new ATOM 433 N ASN A 30 -2.592 -19.201 2.926 1.00 0.00 N ATOM 434 CA ASN A 30 -2.049 -18.926 1.566 1.00 0.00 C ATOM 435 C ASN A 30 -2.487 -17.534 1.109 1.00 0.00 C ATOM 436 O ASN A 30 -3.277 -17.388 0.197 1.00 0.00 O ATOM 437 CB ASN A 30 -2.576 -19.976 0.587 1.00 0.00 C ATOM 438 CG ASN A 30 -2.327 -21.374 1.157 1.00 0.00 C ATOM 439 OD1 ASN A 30 -1.235 -21.898 1.055 1.00 0.00 O ATOM 440 ND2 ASN A 30 -3.299 -22.002 1.759 1.00 0.00 N ATOM 0 H ASN A 30 -1.891 -19.382 3.645 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.960 -18.969 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.642 -19.826 0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.080 -19.871 -0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.143 -22.933 2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.215 -21.562 1.844 1.00 0.00 H new ATOM 447 N LYS A 31 -1.977 -16.508 1.733 1.00 0.00 N ATOM 448 CA LYS A 31 -2.361 -15.125 1.334 1.00 0.00 C ATOM 449 C LYS A 31 -1.147 -14.206 1.472 1.00 0.00 C ATOM 450 O LYS A 31 -1.253 -13.082 1.923 1.00 0.00 O ATOM 451 CB LYS A 31 -3.487 -14.624 2.239 1.00 0.00 C ATOM 452 CG LYS A 31 -3.062 -14.750 3.704 1.00 0.00 C ATOM 453 CD LYS A 31 -4.307 -14.865 4.587 1.00 0.00 C ATOM 454 CE LYS A 31 -4.719 -13.474 5.071 1.00 0.00 C ATOM 455 NZ LYS A 31 -6.170 -13.475 5.412 1.00 0.00 N ATOM 0 H LYS A 31 -1.310 -16.568 2.503 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.704 -15.125 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.720 -13.585 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.394 -15.202 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.427 -15.626 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.472 -13.882 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.122 -15.323 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.103 -15.513 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.130 -13.192 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.517 -12.734 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.640 -12.681 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.599 -14.370 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.285 -13.375 6.441 1.00 0.00 H new ATOM 469 N VAL A 32 0.007 -14.675 1.086 1.00 0.00 N ATOM 470 CA VAL A 32 1.229 -13.829 1.194 1.00 0.00 C ATOM 471 C VAL A 32 1.505 -13.158 -0.152 1.00 0.00 C ATOM 472 O VAL A 32 2.631 -13.104 -0.607 1.00 0.00 O ATOM 473 CB VAL A 32 2.422 -14.705 1.574 1.00 0.00 C ATOM 474 CG1 VAL A 32 2.735 -15.655 0.417 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.638 -13.817 1.847 1.00 0.00 C ATOM 0 H VAL A 32 0.157 -15.607 0.700 1.00 0.00 H new ATOM 0 HA VAL A 32 1.076 -13.067 1.958 1.00 0.00 H new ATOM 0 HB VAL A 32 2.186 -15.281 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.586 -16.283 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.867 -16.284 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.975 -15.076 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.490 -14.440 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.878 -13.244 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.413 -13.134 2.666 1.00 0.00 H new ATOM 485 N ALA A 33 0.488 -12.649 -0.792 1.00 0.00 N ATOM 486 CA ALA A 33 0.693 -11.980 -2.109 1.00 0.00 C ATOM 487 C ALA A 33 1.946 -11.106 -2.038 1.00 0.00 C ATOM 488 O ALA A 33 2.104 -10.304 -1.139 1.00 0.00 O ATOM 489 CB ALA A 33 -0.522 -11.108 -2.437 1.00 0.00 C ATOM 0 H ALA A 33 -0.476 -12.667 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 33 0.815 -12.733 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.370 -10.620 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.415 -11.731 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.647 -10.351 -1.662 1.00 0.00 H new ATOM 495 N THR A 34 2.844 -11.259 -2.971 1.00 0.00 N ATOM 496 CA THR A 34 4.089 -10.442 -2.943 1.00 0.00 C ATOM 497 C THR A 34 3.901 -9.177 -3.782 1.00 0.00 C ATOM 498 O THR A 34 3.504 -9.231 -4.929 1.00 0.00 O ATOM 499 CB THR A 34 5.251 -11.263 -3.508 1.00 0.00 C ATOM 500 OG1 THR A 34 4.738 -12.285 -4.355 1.00 0.00 O ATOM 501 CG2 THR A 34 6.036 -11.892 -2.354 1.00 0.00 C ATOM 0 H THR A 34 2.770 -11.913 -3.750 1.00 0.00 H new ATOM 0 HA THR A 34 4.309 -10.159 -1.914 1.00 0.00 H new ATOM 0 HB THR A 34 5.913 -10.616 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.480 -12.811 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.864 -12.477 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.426 -11.105 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.377 -12.542 -1.778 1.00 0.00 H new ATOM 509 N ILE A 35 4.189 -8.037 -3.215 1.00 0.00 N ATOM 510 CA ILE A 35 4.036 -6.765 -3.975 1.00 0.00 C ATOM 511 C ILE A 35 5.415 -6.133 -4.181 1.00 0.00 C ATOM 512 O ILE A 35 6.035 -5.658 -3.250 1.00 0.00 O ATOM 513 CB ILE A 35 3.146 -5.801 -3.188 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.716 -6.351 -3.141 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.146 -4.433 -3.875 1.00 0.00 C ATOM 516 CD1 ILE A 35 0.758 -5.256 -2.664 1.00 0.00 C ATOM 0 H ILE A 35 4.524 -7.932 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 35 3.578 -6.970 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 35 3.528 -5.697 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.419 -6.703 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.667 -7.208 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.512 -3.745 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.163 -4.043 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.762 -4.536 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.258 -5.650 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.051 -4.925 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.798 -4.412 -3.353 1.00 0.00 H new ATOM 528 N LYS A 36 5.900 -6.125 -5.392 1.00 0.00 N ATOM 529 CA LYS A 36 7.238 -5.525 -5.653 1.00 0.00 C ATOM 530 C LYS A 36 7.301 -4.124 -5.039 1.00 0.00 C ATOM 531 O LYS A 36 6.288 -3.518 -4.752 1.00 0.00 O ATOM 532 CB LYS A 36 7.467 -5.426 -7.162 1.00 0.00 C ATOM 533 CG LYS A 36 8.293 -6.623 -7.635 1.00 0.00 C ATOM 534 CD LYS A 36 7.371 -7.820 -7.870 1.00 0.00 C ATOM 535 CE LYS A 36 8.177 -8.973 -8.468 1.00 0.00 C ATOM 536 NZ LYS A 36 8.794 -9.771 -7.370 1.00 0.00 N ATOM 0 H LYS A 36 5.428 -6.508 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 36 8.008 -6.153 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.511 -5.402 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.984 -4.497 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.822 -6.372 -8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.049 -6.874 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.914 -8.130 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.560 -7.542 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.530 -9.607 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.952 -8.585 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.342 -10.555 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.424 -9.162 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.046 -10.153 -6.756 1.00 0.00 H new ATOM 550 N ARG A 37 8.481 -3.603 -4.845 1.00 0.00 N ATOM 551 CA ARG A 37 8.606 -2.239 -4.260 1.00 0.00 C ATOM 552 C ARG A 37 8.352 -1.211 -5.359 1.00 0.00 C ATOM 553 O ARG A 37 7.885 -0.119 -5.112 1.00 0.00 O ATOM 554 CB ARG A 37 10.018 -2.047 -3.706 1.00 0.00 C ATOM 555 CG ARG A 37 9.952 -1.299 -2.373 1.00 0.00 C ATOM 556 CD ARG A 37 9.002 -2.026 -1.420 1.00 0.00 C ATOM 557 NE ARG A 37 9.399 -1.746 -0.011 1.00 0.00 N ATOM 558 CZ ARG A 37 10.622 -1.982 0.383 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.203 -3.108 0.072 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.264 -1.090 1.088 1.00 0.00 N ATOM 0 H ARG A 37 9.364 -4.063 -5.066 1.00 0.00 H new ATOM 0 HA ARG A 37 7.883 -2.114 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.499 -3.015 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.625 -1.488 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.947 -1.235 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.609 -0.277 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.977 -1.698 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.030 -3.099 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 37 8.715 -1.370 0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.702 -3.805 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.158 -3.291 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.811 -0.209 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.219 -1.274 1.396 1.00 0.00 H new ATOM 574 N ASP A 38 8.662 -1.561 -6.576 1.00 0.00 N ATOM 575 CA ASP A 38 8.444 -0.614 -7.702 1.00 0.00 C ATOM 576 C ASP A 38 6.945 -0.374 -7.880 1.00 0.00 C ATOM 577 O ASP A 38 6.526 0.613 -8.453 1.00 0.00 O ATOM 578 CB ASP A 38 9.022 -1.210 -8.989 1.00 0.00 C ATOM 579 CG ASP A 38 10.250 -0.406 -9.418 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.084 0.750 -9.769 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.337 -0.962 -9.390 1.00 0.00 O ATOM 0 H ASP A 38 9.058 -2.464 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 38 8.941 0.331 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.295 -2.253 -8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.271 -1.195 -9.778 1.00 0.00 H new ATOM 586 N LYS A 39 6.131 -1.273 -7.395 1.00 0.00 N ATOM 587 CA LYS A 39 4.657 -1.099 -7.536 1.00 0.00 C ATOM 588 C LYS A 39 4.087 -0.495 -6.252 1.00 0.00 C ATOM 589 O LYS A 39 3.468 0.551 -6.269 1.00 0.00 O ATOM 590 CB LYS A 39 4.007 -2.461 -7.792 1.00 0.00 C ATOM 591 CG LYS A 39 2.905 -2.314 -8.845 1.00 0.00 C ATOM 592 CD LYS A 39 1.813 -1.384 -8.314 1.00 0.00 C ATOM 593 CE LYS A 39 0.859 -1.014 -9.450 1.00 0.00 C ATOM 594 NZ LYS A 39 0.960 0.448 -9.727 1.00 0.00 N ATOM 0 H LYS A 39 6.423 -2.120 -6.907 1.00 0.00 H new ATOM 0 HA LYS A 39 4.448 -0.432 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.757 -3.175 -8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.589 -2.856 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.321 -1.913 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.482 -3.290 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.264 -1.873 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.261 -0.484 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.106 -1.583 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.164 -1.274 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.311 0.701 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.704 0.982 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.935 0.683 -10.003 1.00 0.00 H new ATOM 608 N VAL A 40 4.287 -1.143 -5.135 1.00 0.00 N ATOM 609 CA VAL A 40 3.752 -0.601 -3.854 1.00 0.00 C ATOM 610 C VAL A 40 4.190 0.861 -3.704 1.00 0.00 C ATOM 611 O VAL A 40 3.429 1.712 -3.287 1.00 0.00 O ATOM 612 CB VAL A 40 4.275 -1.456 -2.680 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.512 -0.813 -2.039 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.174 -1.589 -1.626 1.00 0.00 C ATOM 0 H VAL A 40 4.797 -2.023 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 40 2.663 -0.641 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 40 4.554 -2.437 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.860 -1.436 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.302 -0.722 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.254 0.177 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.538 -2.192 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.897 -0.599 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.302 -2.070 -2.069 1.00 0.00 H new ATOM 624 N ARG A 41 5.417 1.152 -4.040 1.00 0.00 N ATOM 625 CA ARG A 41 5.918 2.549 -3.920 1.00 0.00 C ATOM 626 C ARG A 41 5.143 3.457 -4.880 1.00 0.00 C ATOM 627 O ARG A 41 4.820 4.583 -4.558 1.00 0.00 O ATOM 628 CB ARG A 41 7.405 2.583 -4.274 1.00 0.00 C ATOM 629 CG ARG A 41 7.903 4.029 -4.266 1.00 0.00 C ATOM 630 CD ARG A 41 9.160 4.141 -5.131 1.00 0.00 C ATOM 631 NE ARG A 41 10.186 4.947 -4.413 1.00 0.00 N ATOM 632 CZ ARG A 41 11.007 5.705 -5.088 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.538 6.603 -5.909 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.297 5.565 -4.942 1.00 0.00 N ATOM 0 H ARG A 41 6.096 0.479 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 41 5.776 2.901 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.973 1.989 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.565 2.138 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.127 4.694 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.122 4.344 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.552 3.148 -5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.917 4.608 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 41 10.247 4.907 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.530 6.713 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.179 7.196 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.664 4.863 -4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.937 6.158 -5.470 1.00 0.00 H new ATOM 648 N GLU A 42 4.846 2.978 -6.057 1.00 0.00 N ATOM 649 CA GLU A 42 4.097 3.816 -7.035 1.00 0.00 C ATOM 650 C GLU A 42 2.785 4.289 -6.405 1.00 0.00 C ATOM 651 O GLU A 42 2.418 5.443 -6.507 1.00 0.00 O ATOM 652 CB GLU A 42 3.792 2.992 -8.288 1.00 0.00 C ATOM 653 CG GLU A 42 3.879 3.892 -9.522 1.00 0.00 C ATOM 654 CD GLU A 42 5.233 3.693 -10.205 1.00 0.00 C ATOM 655 OE1 GLU A 42 6.084 3.051 -9.613 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.394 4.184 -11.311 1.00 0.00 O ATOM 0 H GLU A 42 5.090 2.043 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 42 4.702 4.681 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.499 2.167 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.797 2.552 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.072 3.655 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.755 4.936 -9.233 1.00 0.00 H new ATOM 663 N ILE A 43 2.075 3.409 -5.754 1.00 0.00 N ATOM 664 CA ILE A 43 0.789 3.814 -5.121 1.00 0.00 C ATOM 665 C ILE A 43 1.076 4.766 -3.959 1.00 0.00 C ATOM 666 O ILE A 43 0.382 5.745 -3.759 1.00 0.00 O ATOM 667 CB ILE A 43 0.062 2.572 -4.601 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.493 1.778 -5.785 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.090 2.998 -3.689 1.00 0.00 C ATOM 670 CD1 ILE A 43 -1.332 0.608 -5.267 1.00 0.00 C ATOM 0 H ILE A 43 2.330 2.429 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 43 0.161 4.317 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 43 0.759 1.951 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.102 2.425 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.325 1.407 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.607 2.113 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.696 3.567 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.788 3.618 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.727 0.042 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.709 -0.043 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.158 0.990 -4.667 1.00 0.00 H new ATOM 682 N ALA A 44 2.097 4.495 -3.192 1.00 0.00 N ATOM 683 CA ALA A 44 2.425 5.390 -2.048 1.00 0.00 C ATOM 684 C ALA A 44 2.650 6.809 -2.574 1.00 0.00 C ATOM 685 O ALA A 44 2.472 7.781 -1.867 1.00 0.00 O ATOM 686 CB ALA A 44 3.695 4.892 -1.354 1.00 0.00 C ATOM 0 H ALA A 44 2.717 3.693 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 44 1.603 5.389 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.933 5.548 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.535 3.878 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.522 4.894 -2.064 1.00 0.00 H new ATOM 692 N GLU A 45 3.034 6.933 -3.815 1.00 0.00 N ATOM 693 CA GLU A 45 3.265 8.286 -4.394 1.00 0.00 C ATOM 694 C GLU A 45 1.930 8.860 -4.869 1.00 0.00 C ATOM 695 O GLU A 45 1.695 10.051 -4.803 1.00 0.00 O ATOM 696 CB GLU A 45 4.228 8.179 -5.579 1.00 0.00 C ATOM 697 CG GLU A 45 4.291 9.521 -6.309 1.00 0.00 C ATOM 698 CD GLU A 45 3.318 9.508 -7.488 1.00 0.00 C ATOM 699 OE1 GLU A 45 3.551 8.749 -8.415 1.00 0.00 O ATOM 700 OE2 GLU A 45 2.355 10.255 -7.445 1.00 0.00 O ATOM 0 H GLU A 45 3.198 6.155 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 45 3.699 8.941 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.221 7.896 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.896 7.397 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.039 10.331 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.305 9.707 -6.663 1.00 0.00 H new ATOM 707 N LEU A 46 1.050 8.020 -5.342 1.00 0.00 N ATOM 708 CA LEU A 46 -0.273 8.513 -5.817 1.00 0.00 C ATOM 709 C LEU A 46 -0.969 9.257 -4.677 1.00 0.00 C ATOM 710 O LEU A 46 -1.524 10.322 -4.863 1.00 0.00 O ATOM 711 CB LEU A 46 -1.133 7.325 -6.253 1.00 0.00 C ATOM 712 CG LEU A 46 -1.735 7.610 -7.629 1.00 0.00 C ATOM 713 CD1 LEU A 46 -2.494 8.937 -7.588 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.613 7.699 -8.666 1.00 0.00 C ATOM 0 H LEU A 46 1.191 7.013 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.133 9.186 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.529 6.419 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.926 7.150 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.420 6.807 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.924 9.141 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.292 8.877 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.808 9.740 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.040 7.902 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.071 8.503 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.069 6.755 -8.695 1.00 0.00 H new ATOM 726 N LYS A 47 -0.940 8.705 -3.496 1.00 0.00 N ATOM 727 CA LYS A 47 -1.595 9.378 -2.339 1.00 0.00 C ATOM 728 C LYS A 47 -0.518 10.007 -1.453 1.00 0.00 C ATOM 729 O LYS A 47 -0.650 10.072 -0.247 1.00 0.00 O ATOM 730 CB LYS A 47 -2.388 8.349 -1.532 1.00 0.00 C ATOM 731 CG LYS A 47 -3.384 7.640 -2.451 1.00 0.00 C ATOM 732 CD LYS A 47 -3.062 6.144 -2.500 1.00 0.00 C ATOM 733 CE LYS A 47 -3.201 5.545 -1.100 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.935 4.853 -0.729 1.00 0.00 N ATOM 0 H LYS A 47 -0.490 7.815 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.273 10.152 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.711 7.623 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.916 8.840 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.401 7.792 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.336 8.066 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.736 5.639 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.049 5.991 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.424 6.330 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.033 4.842 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.856 4.805 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.938 3.890 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.125 5.381 -1.114 1.00 0.00 H new ATOM 748 N MET A 48 0.549 10.466 -2.045 1.00 0.00 N ATOM 749 CA MET A 48 1.643 11.089 -1.249 1.00 0.00 C ATOM 750 C MET A 48 1.125 12.326 -0.507 1.00 0.00 C ATOM 751 O MET A 48 1.332 12.459 0.682 1.00 0.00 O ATOM 752 CB MET A 48 2.780 11.499 -2.185 1.00 0.00 C ATOM 753 CG MET A 48 4.098 10.930 -1.661 1.00 0.00 C ATOM 754 SD MET A 48 4.753 12.017 -0.372 1.00 0.00 S ATOM 755 CE MET A 48 4.939 13.496 -1.397 1.00 0.00 C ATOM 0 H MET A 48 0.711 10.436 -3.052 1.00 0.00 H new ATOM 0 HA MET A 48 2.005 10.365 -0.519 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.587 11.131 -3.193 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.840 12.586 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.941 9.928 -1.262 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.817 10.839 -2.475 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.850 14.023 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.999 13.206 -2.446 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.080 14.151 -1.250 1.00 0.00 H new ATOM 765 N PRO A 49 0.475 13.203 -1.232 1.00 0.00 N ATOM 766 CA PRO A 49 -0.074 14.448 -0.666 1.00 0.00 C ATOM 767 C PRO A 49 -1.379 14.178 0.091 1.00 0.00 C ATOM 768 O PRO A 49 -2.079 15.090 0.482 1.00 0.00 O ATOM 769 CB PRO A 49 -0.324 15.322 -1.897 1.00 0.00 C ATOM 770 CG PRO A 49 -0.445 14.358 -3.101 1.00 0.00 C ATOM 771 CD PRO A 49 0.228 13.038 -2.681 1.00 0.00 C ATOM 0 HA PRO A 49 0.594 14.916 0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.234 15.910 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.494 16.027 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.491 14.193 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.041 14.777 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.416 12.181 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.157 12.873 -3.227 1.00 0.00 H new ATOM 779 N ASP A 50 -1.711 12.933 0.305 1.00 0.00 N ATOM 780 CA ASP A 50 -2.968 12.616 1.041 1.00 0.00 C ATOM 781 C ASP A 50 -2.621 12.034 2.414 1.00 0.00 C ATOM 782 O ASP A 50 -3.490 11.659 3.176 1.00 0.00 O ATOM 783 CB ASP A 50 -3.782 11.597 0.242 1.00 0.00 C ATOM 784 CG ASP A 50 -4.312 12.254 -1.033 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.570 12.311 -2.000 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.452 12.689 -1.021 1.00 0.00 O ATOM 0 H ASP A 50 -1.168 12.124 0.003 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.555 13.525 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.161 10.737 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.611 11.226 0.844 1.00 0.00 H new ATOM 791 N LEU A 51 -1.359 11.953 2.735 1.00 0.00 N ATOM 792 CA LEU A 51 -0.958 11.394 4.060 1.00 0.00 C ATOM 793 C LEU A 51 0.157 12.257 4.651 1.00 0.00 C ATOM 794 O LEU A 51 1.083 11.757 5.259 1.00 0.00 O ATOM 795 CB LEU A 51 -0.450 9.951 3.907 1.00 0.00 C ATOM 796 CG LEU A 51 -0.557 9.494 2.448 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.362 8.294 2.218 1.00 0.00 C ATOM 798 CD2 LEU A 51 -2.002 9.094 2.144 1.00 0.00 C ATOM 0 H LEU A 51 -0.587 12.249 2.138 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.826 11.394 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.586 9.887 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.031 9.286 4.546 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.258 10.310 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.285 7.970 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.392 8.578 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.065 7.477 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.079 8.769 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.300 8.278 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.658 9.949 2.306 1.00 0.00 H new ATOM 810 N ASN A 52 0.072 13.550 4.479 1.00 0.00 N ATOM 811 CA ASN A 52 1.124 14.458 5.027 1.00 0.00 C ATOM 812 C ASN A 52 2.506 13.829 4.832 1.00 0.00 C ATOM 813 O ASN A 52 3.402 14.015 5.631 1.00 0.00 O ATOM 814 CB ASN A 52 0.880 14.706 6.522 1.00 0.00 C ATOM 815 CG ASN A 52 0.116 13.529 7.134 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.085 13.425 6.986 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.766 12.631 7.823 1.00 0.00 N ATOM 0 H ASN A 52 -0.684 14.019 3.980 1.00 0.00 H new ATOM 0 HA ASN A 52 1.080 15.408 4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.832 14.838 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.313 15.627 6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.265 11.844 8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.775 12.716 7.949 1.00 0.00 H new ATOM 824 N ALA A 53 2.687 13.084 3.774 1.00 0.00 N ATOM 825 CA ALA A 53 4.012 12.446 3.530 1.00 0.00 C ATOM 826 C ALA A 53 4.999 13.498 3.018 1.00 0.00 C ATOM 827 O ALA A 53 4.977 13.872 1.862 1.00 0.00 O ATOM 828 CB ALA A 53 3.861 11.336 2.487 1.00 0.00 C ATOM 0 H ALA A 53 1.975 12.890 3.070 1.00 0.00 H new ATOM 0 HA ALA A 53 4.386 12.020 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.830 10.870 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.159 10.586 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.486 11.760 1.556 1.00 0.00 H new ATOM 834 N ALA A 54 5.863 13.977 3.870 1.00 0.00 N ATOM 835 CA ALA A 54 6.850 15.005 3.434 1.00 0.00 C ATOM 836 C ALA A 54 7.432 14.616 2.073 1.00 0.00 C ATOM 837 O ALA A 54 7.612 15.448 1.204 1.00 0.00 O ATOM 838 CB ALA A 54 7.981 15.094 4.461 1.00 0.00 C ATOM 0 H ALA A 54 5.928 13.701 4.850 1.00 0.00 H new ATOM 0 HA ALA A 54 6.352 15.971 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.703 15.846 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.570 15.373 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.476 14.126 4.542 1.00 0.00 H new ATOM 844 N SER A 55 7.729 13.361 1.878 1.00 0.00 N ATOM 845 CA SER A 55 8.301 12.926 0.572 1.00 0.00 C ATOM 846 C SER A 55 7.873 11.488 0.278 1.00 0.00 C ATOM 847 O SER A 55 7.133 10.883 1.029 1.00 0.00 O ATOM 848 CB SER A 55 9.826 12.999 0.636 1.00 0.00 C ATOM 849 OG SER A 55 10.240 12.987 1.996 1.00 0.00 O ATOM 0 H SER A 55 7.601 12.618 2.565 1.00 0.00 H new ATOM 0 HA SER A 55 7.937 13.581 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.265 12.156 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.179 13.905 0.144 1.00 0.00 H new ATOM 0 HG SER A 55 11.218 13.032 2.041 1.00 0.00 H new ATOM 855 N ILE A 56 8.338 10.931 -0.806 1.00 0.00 N ATOM 856 CA ILE A 56 7.962 9.530 -1.144 1.00 0.00 C ATOM 857 C ILE A 56 8.513 8.592 -0.073 1.00 0.00 C ATOM 858 O ILE A 56 7.851 7.672 0.358 1.00 0.00 O ATOM 859 CB ILE A 56 8.552 9.150 -2.499 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.199 10.219 -3.535 1.00 0.00 C ATOM 861 CG2 ILE A 56 7.978 7.803 -2.944 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.682 10.269 -3.719 1.00 0.00 C ATOM 0 H ILE A 56 8.962 11.386 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 56 6.876 9.446 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 56 9.636 9.076 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.569 11.192 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.684 9.994 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.399 7.530 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.232 7.039 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.894 7.879 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.430 11.031 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.325 9.298 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.208 10.514 -2.768 1.00 0.00 H new ATOM 874 N GLU A 57 9.722 8.821 0.364 1.00 0.00 N ATOM 875 CA GLU A 57 10.307 7.942 1.413 1.00 0.00 C ATOM 876 C GLU A 57 9.390 7.964 2.634 1.00 0.00 C ATOM 877 O GLU A 57 9.405 7.068 3.455 1.00 0.00 O ATOM 878 CB GLU A 57 11.693 8.463 1.804 1.00 0.00 C ATOM 879 CG GLU A 57 12.608 8.445 0.577 1.00 0.00 C ATOM 880 CD GLU A 57 13.092 7.017 0.321 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.857 6.517 1.129 1.00 0.00 O ATOM 882 OE2 GLU A 57 12.690 6.447 -0.681 1.00 0.00 O ATOM 0 H GLU A 57 10.327 9.576 0.041 1.00 0.00 H new ATOM 0 HA GLU A 57 10.402 6.924 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.615 9.476 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.116 7.845 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.072 8.820 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.460 9.106 0.736 1.00 0.00 H new ATOM 889 N ALA A 58 8.584 8.983 2.753 1.00 0.00 N ATOM 890 CA ALA A 58 7.655 9.070 3.912 1.00 0.00 C ATOM 891 C ALA A 58 6.356 8.340 3.571 1.00 0.00 C ATOM 892 O ALA A 58 5.685 7.813 4.436 1.00 0.00 O ATOM 893 CB ALA A 58 7.355 10.539 4.216 1.00 0.00 C ATOM 0 H ALA A 58 8.530 9.761 2.095 1.00 0.00 H new ATOM 0 HA ALA A 58 8.114 8.608 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.674 10.603 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.283 11.058 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.893 11.004 3.345 1.00 0.00 H new ATOM 899 N ALA A 59 5.996 8.296 2.315 1.00 0.00 N ATOM 900 CA ALA A 59 4.741 7.590 1.931 1.00 0.00 C ATOM 901 C ALA A 59 5.029 6.094 1.790 1.00 0.00 C ATOM 902 O ALA A 59 4.131 5.276 1.754 1.00 0.00 O ATOM 903 CB ALA A 59 4.225 8.139 0.599 1.00 0.00 C ATOM 0 H ALA A 59 6.514 8.716 1.543 1.00 0.00 H new ATOM 0 HA ALA A 59 3.985 7.749 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.307 7.620 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.023 9.205 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.977 7.983 -0.174 1.00 0.00 H new ATOM 909 N MET A 60 6.281 5.733 1.716 1.00 0.00 N ATOM 910 CA MET A 60 6.637 4.295 1.582 1.00 0.00 C ATOM 911 C MET A 60 6.518 3.622 2.947 1.00 0.00 C ATOM 912 O MET A 60 6.360 2.422 3.049 1.00 0.00 O ATOM 913 CB MET A 60 8.075 4.171 1.072 1.00 0.00 C ATOM 914 CG MET A 60 8.479 2.697 1.024 1.00 0.00 C ATOM 915 SD MET A 60 10.019 2.522 0.091 1.00 0.00 S ATOM 916 CE MET A 60 9.325 2.830 -1.553 1.00 0.00 C ATOM 0 H MET A 60 7.073 6.375 1.743 1.00 0.00 H new ATOM 0 HA MET A 60 5.962 3.812 0.875 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.159 4.614 0.079 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.752 4.723 1.725 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.609 2.312 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.690 2.108 0.557 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.756 2.128 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.243 2.698 -1.522 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.557 3.850 -1.861 1.00 0.00 H new ATOM 926 N ARG A 61 6.587 4.389 4.000 1.00 0.00 N ATOM 927 CA ARG A 61 6.470 3.799 5.361 1.00 0.00 C ATOM 928 C ARG A 61 5.008 3.431 5.620 1.00 0.00 C ATOM 929 O ARG A 61 4.709 2.521 6.367 1.00 0.00 O ATOM 930 CB ARG A 61 6.936 4.819 6.402 1.00 0.00 C ATOM 931 CG ARG A 61 6.749 4.240 7.805 1.00 0.00 C ATOM 932 CD ARG A 61 5.660 5.024 8.538 1.00 0.00 C ATOM 933 NE ARG A 61 5.511 4.491 9.921 1.00 0.00 N ATOM 934 CZ ARG A 61 5.848 5.228 10.943 1.00 0.00 C ATOM 935 NH1 ARG A 61 5.228 6.354 11.170 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.807 4.840 11.738 1.00 0.00 N ATOM 0 H ARG A 61 6.720 5.400 3.975 1.00 0.00 H new ATOM 0 HA ARG A 61 7.091 2.906 5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.984 5.069 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.368 5.744 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.474 3.187 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.686 4.292 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.918 6.082 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.715 4.943 8.002 1.00 0.00 H new ATOM 0 HE ARG A 61 5.146 3.550 10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.479 6.658 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.492 6.930 11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.293 3.961 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.071 5.416 12.537 1.00 0.00 H new ATOM 950 N MET A 62 4.094 4.129 5.001 1.00 0.00 N ATOM 951 CA MET A 62 2.652 3.813 5.202 1.00 0.00 C ATOM 952 C MET A 62 2.259 2.675 4.258 1.00 0.00 C ATOM 953 O MET A 62 1.453 1.829 4.589 1.00 0.00 O ATOM 954 CB MET A 62 1.806 5.051 4.896 1.00 0.00 C ATOM 955 CG MET A 62 1.715 5.928 6.147 1.00 0.00 C ATOM 956 SD MET A 62 3.346 6.620 6.518 1.00 0.00 S ATOM 957 CE MET A 62 3.150 8.169 5.604 1.00 0.00 C ATOM 0 H MET A 62 4.284 4.904 4.365 1.00 0.00 H new ATOM 0 HA MET A 62 2.480 3.512 6.235 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.250 5.614 4.075 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.808 4.753 4.575 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.995 6.731 5.990 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.357 5.339 6.992 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.044 8.780 5.728 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.003 7.951 4.546 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.285 8.710 5.987 1.00 0.00 H new ATOM 967 N ILE A 63 2.834 2.642 3.085 1.00 0.00 N ATOM 968 CA ILE A 63 2.507 1.553 2.123 1.00 0.00 C ATOM 969 C ILE A 63 3.278 0.295 2.523 1.00 0.00 C ATOM 970 O ILE A 63 2.902 -0.810 2.191 1.00 0.00 O ATOM 971 CB ILE A 63 2.908 1.987 0.708 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.039 3.174 0.267 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.710 0.825 -0.269 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.580 2.928 0.659 1.00 0.00 C ATOM 0 H ILE A 63 3.516 3.323 2.753 1.00 0.00 H new ATOM 0 HA ILE A 63 1.437 1.345 2.140 1.00 0.00 H new ATOM 0 HB ILE A 63 3.957 2.282 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.399 4.092 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.116 3.311 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.997 1.140 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.330 -0.018 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.662 0.524 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.029 3.775 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.221 2.021 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.508 2.813 1.741 1.00 0.00 H new ATOM 986 N GLU A 64 4.348 0.458 3.250 1.00 0.00 N ATOM 987 CA GLU A 64 5.140 -0.724 3.686 1.00 0.00 C ATOM 988 C GLU A 64 4.585 -1.229 5.018 1.00 0.00 C ATOM 989 O GLU A 64 4.527 -2.417 5.269 1.00 0.00 O ATOM 990 CB GLU A 64 6.606 -0.322 3.861 1.00 0.00 C ATOM 991 CG GLU A 64 7.472 -1.579 3.957 1.00 0.00 C ATOM 992 CD GLU A 64 8.024 -1.713 5.378 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.282 -1.446 6.309 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.180 -2.078 5.511 1.00 0.00 O ATOM 0 H GLU A 64 4.708 1.360 3.561 1.00 0.00 H new ATOM 0 HA GLU A 64 5.072 -1.511 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.929 0.291 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.723 0.283 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.883 -2.459 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.292 -1.524 3.241 1.00 0.00 H new ATOM 1001 N GLY A 65 4.170 -0.333 5.873 1.00 0.00 N ATOM 1002 CA GLY A 65 3.609 -0.755 7.187 1.00 0.00 C ATOM 1003 C GLY A 65 2.213 -1.342 6.973 1.00 0.00 C ATOM 1004 O GLY A 65 1.832 -2.310 7.600 1.00 0.00 O ATOM 0 H GLY A 65 4.196 0.675 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.260 -1.495 7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.558 0.097 7.865 1.00 0.00 H new ATOM 1008 N THR A 66 1.450 -0.763 6.086 1.00 0.00 N ATOM 1009 CA THR A 66 0.081 -1.287 5.823 1.00 0.00 C ATOM 1010 C THR A 66 0.173 -2.476 4.867 1.00 0.00 C ATOM 1011 O THR A 66 -0.566 -3.435 4.979 1.00 0.00 O ATOM 1012 CB THR A 66 -0.774 -0.186 5.186 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.667 1.001 5.960 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.235 -0.636 5.139 1.00 0.00 C ATOM 0 H THR A 66 1.717 0.051 5.532 1.00 0.00 H new ATOM 0 HA THR A 66 -0.376 -1.604 6.760 1.00 0.00 H new ATOM 0 HB THR A 66 -0.423 0.007 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.026 1.610 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.843 0.147 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.316 -1.547 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.589 -0.830 6.152 1.00 0.00 H new ATOM 1022 N ALA A 67 1.080 -2.425 3.929 1.00 0.00 N ATOM 1023 CA ALA A 67 1.225 -3.554 2.969 1.00 0.00 C ATOM 1024 C ALA A 67 2.228 -4.565 3.527 1.00 0.00 C ATOM 1025 O ALA A 67 2.935 -5.224 2.791 1.00 0.00 O ATOM 1026 CB ALA A 67 1.729 -3.023 1.626 1.00 0.00 C ATOM 0 H ALA A 67 1.727 -1.649 3.787 1.00 0.00 H new ATOM 0 HA ALA A 67 0.259 -4.038 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.835 -3.850 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.016 -2.300 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.696 -2.540 1.766 1.00 0.00 H new ATOM 1032 N ARG A 68 2.293 -4.693 4.824 1.00 0.00 N ATOM 1033 CA ARG A 68 3.250 -5.659 5.432 1.00 0.00 C ATOM 1034 C ARG A 68 2.570 -6.382 6.597 1.00 0.00 C ATOM 1035 O ARG A 68 2.570 -7.594 6.674 1.00 0.00 O ATOM 1036 CB ARG A 68 4.479 -4.905 5.946 1.00 0.00 C ATOM 1037 CG ARG A 68 5.406 -5.882 6.670 1.00 0.00 C ATOM 1038 CD ARG A 68 5.896 -5.251 7.974 1.00 0.00 C ATOM 1039 NE ARG A 68 7.146 -5.933 8.414 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.223 -7.235 8.380 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.189 -7.958 8.713 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.333 -7.813 8.014 1.00 0.00 N ATOM 0 H ARG A 68 1.724 -4.170 5.489 1.00 0.00 H new ATOM 0 HA ARG A 68 3.559 -6.387 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.005 -4.435 5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.173 -4.107 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.878 -6.812 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.255 -6.133 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.081 -4.187 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.130 -5.339 8.744 1.00 0.00 H new ATOM 0 HE ARG A 68 7.940 -5.383 8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.321 -7.505 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.249 -8.976 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.141 -7.247 7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.393 -8.831 7.987 1.00 0.00 H new ATOM 1056 N SER A 69 1.990 -5.645 7.506 1.00 0.00 N ATOM 1057 CA SER A 69 1.312 -6.288 8.665 1.00 0.00 C ATOM 1058 C SER A 69 -0.145 -6.584 8.303 1.00 0.00 C ATOM 1059 O SER A 69 -0.979 -6.789 9.161 1.00 0.00 O ATOM 1060 CB SER A 69 1.356 -5.345 9.868 1.00 0.00 C ATOM 1061 OG SER A 69 0.538 -5.870 10.906 1.00 0.00 O ATOM 0 H SER A 69 1.957 -4.626 7.495 1.00 0.00 H new ATOM 0 HA SER A 69 1.821 -7.219 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.382 -5.232 10.219 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.007 -4.353 9.580 1.00 0.00 H new ATOM 0 HG SER A 69 -0.376 -5.991 10.573 1.00 0.00 H new ATOM 1067 N MET A 70 -0.457 -6.609 7.036 1.00 0.00 N ATOM 1068 CA MET A 70 -1.858 -6.894 6.618 1.00 0.00 C ATOM 1069 C MET A 70 -1.904 -8.221 5.857 1.00 0.00 C ATOM 1070 O MET A 70 -2.939 -8.632 5.370 1.00 0.00 O ATOM 1071 CB MET A 70 -2.358 -5.768 5.711 1.00 0.00 C ATOM 1072 CG MET A 70 -2.984 -4.663 6.563 1.00 0.00 C ATOM 1073 SD MET A 70 -4.588 -4.198 5.866 1.00 0.00 S ATOM 1074 CE MET A 70 -4.021 -3.891 4.176 1.00 0.00 C ATOM 0 H MET A 70 0.199 -6.444 6.272 1.00 0.00 H new ATOM 0 HA MET A 70 -2.494 -6.960 7.501 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.532 -5.365 5.125 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.091 -6.155 5.004 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.108 -5.007 7.590 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.324 -3.796 6.595 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.673 -4.411 3.474 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.048 -2.821 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.000 -4.256 4.063 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.791 -8.897 5.751 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.776 -10.196 5.021 1.00 0.00 C ATOM 1086 C GLY A 71 -0.079 -10.018 3.671 1.00 0.00 C ATOM 1087 O GLY A 71 0.145 -10.969 2.949 1.00 0.00 O ATOM 0 H GLY A 71 0.107 -8.606 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.258 -10.951 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.795 -10.552 4.871 1.00 0.00 H new ATOM 1091 N ILE A 72 0.268 -8.809 3.322 1.00 0.00 N ATOM 1092 CA ILE A 72 0.949 -8.578 2.017 1.00 0.00 C ATOM 1093 C ILE A 72 2.434 -8.309 2.256 1.00 0.00 C ATOM 1094 O ILE A 72 2.802 -7.532 3.113 1.00 0.00 O ATOM 1095 CB ILE A 72 0.324 -7.368 1.322 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.202 -7.470 1.388 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.769 -7.334 -0.141 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.788 -6.106 1.760 1.00 0.00 C ATOM 0 H ILE A 72 0.109 -7.972 3.884 1.00 0.00 H new ATOM 0 HA ILE A 72 0.834 -9.461 1.389 1.00 0.00 H new ATOM 0 HB ILE A 72 0.648 -6.456 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.597 -7.798 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.496 -8.217 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.324 -6.472 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.855 -7.259 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.446 -8.247 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.875 -6.177 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.402 -5.797 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.505 -5.371 1.007 1.00 0.00 H new ATOM 1110 N VAL A 73 3.293 -8.939 1.501 1.00 0.00 N ATOM 1111 CA VAL A 73 4.752 -8.706 1.687 1.00 0.00 C ATOM 1112 C VAL A 73 5.244 -7.735 0.606 1.00 0.00 C ATOM 1113 O VAL A 73 4.506 -7.357 -0.283 1.00 0.00 O ATOM 1114 CB VAL A 73 5.502 -10.053 1.609 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.116 -10.267 0.219 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.617 -10.067 2.656 1.00 0.00 C ATOM 0 H VAL A 73 3.048 -9.603 0.766 1.00 0.00 H new ATOM 0 HA VAL A 73 4.945 -8.266 2.665 1.00 0.00 H new ATOM 0 HB VAL A 73 4.789 -10.855 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.638 -11.224 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.326 -10.265 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.821 -9.464 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.151 -11.016 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.311 -9.250 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.185 -9.945 3.649 1.00 0.00 H new ATOM 1126 N VAL A 74 6.482 -7.331 0.670 1.00 0.00 N ATOM 1127 CA VAL A 74 7.007 -6.392 -0.360 1.00 0.00 C ATOM 1128 C VAL A 74 8.440 -6.797 -0.733 1.00 0.00 C ATOM 1129 O VAL A 74 9.221 -7.193 0.108 1.00 0.00 O ATOM 1130 CB VAL A 74 6.958 -4.953 0.191 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.320 -4.529 0.753 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.557 -3.998 -0.935 1.00 0.00 C ATOM 0 H VAL A 74 7.151 -7.609 1.388 1.00 0.00 H new ATOM 0 HA VAL A 74 6.394 -6.436 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 74 6.227 -4.917 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.255 -3.510 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.605 -5.202 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.069 -4.574 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.521 -2.978 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.289 -4.057 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.575 -4.277 -1.317 1.00 0.00 H new ATOM 1142 N GLU A 75 8.785 -6.704 -1.988 1.00 0.00 N ATOM 1143 CA GLU A 75 10.159 -7.090 -2.414 1.00 0.00 C ATOM 1144 C GLU A 75 10.990 -5.831 -2.672 1.00 0.00 C ATOM 1145 O GLU A 75 10.729 -5.082 -3.590 1.00 0.00 O ATOM 1146 CB GLU A 75 10.079 -7.919 -3.698 1.00 0.00 C ATOM 1147 CG GLU A 75 10.413 -9.379 -3.383 1.00 0.00 C ATOM 1148 CD GLU A 75 9.123 -10.146 -3.092 1.00 0.00 C ATOM 1149 OE1 GLU A 75 8.079 -9.705 -3.544 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.200 -11.164 -2.424 1.00 0.00 O ATOM 0 H GLU A 75 8.174 -6.377 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 75 10.630 -7.679 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.080 -7.848 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.774 -7.528 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.937 -9.833 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.082 -9.433 -2.524 1.00 0.00 H new ATOM 1157 N ASP A 76 11.992 -5.596 -1.869 1.00 0.00 N ATOM 1158 CA ASP A 76 12.841 -4.387 -2.066 1.00 0.00 C ATOM 1159 C ASP A 76 13.355 -4.354 -3.508 1.00 0.00 C ATOM 1160 O ASP A 76 13.230 -5.362 -4.184 1.00 0.00 O ATOM 1161 CB ASP A 76 14.028 -4.434 -1.102 1.00 0.00 C ATOM 1162 CG ASP A 76 14.907 -5.643 -1.432 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.693 -5.543 -2.360 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.779 -6.647 -0.751 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.863 -3.321 -3.910 1.00 0.00 O ATOM 0 H ASP A 76 12.259 -6.190 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 76 12.250 -3.492 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.610 -3.516 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.672 -4.499 -0.074 1.00 0.00 H new TER 1170 ASP A 76