USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 69 THR OG1 : rot 180:sc= -0.148 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.215 K(o=-0.36,f=-2.1!) USER MOD Single : A 9 SER OG : rot -127:sc= 0.367 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 47:sc= 0.778 USER MOD Single : A 19 SER OG : rot 150:sc= 0.0849 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -119:sc= -6.6! (180deg=-7.18!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.348 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 72:sc= 0.297 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.8!) USER MOD Single : A 68 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.6!) USER MOD Single : A 76 LYS NZ :NH3+ -109:sc= -0.435 (180deg=-1.48!) USER MOD Single : A 77 HIS : no HD1:sc= -14! C(o=-14!,f=-15!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.189 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.926 -15.501 2.776 1.00 0.00 N ATOM 93 CA SER A 9 -10.885 -14.826 3.532 1.00 0.00 C ATOM 94 C SER A 9 -10.163 -13.814 2.641 1.00 0.00 C ATOM 95 O SER A 9 -9.342 -14.192 1.806 1.00 0.00 O ATOM 96 CB SER A 9 -9.887 -15.830 4.113 1.00 0.00 C ATOM 97 OG SER A 9 -9.881 -15.814 5.537 1.00 0.00 O ATOM 0 HA SER A 9 -11.353 -14.299 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.135 -16.832 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.887 -15.602 3.744 1.00 0.00 H new ATOM 0 HG SER A 9 -8.964 -15.688 5.859 1.00 0.00 H new ATOM 103 N LYS A 10 -10.493 -12.548 2.849 1.00 0.00 N ATOM 104 CA LYS A 10 -9.886 -11.479 2.074 1.00 0.00 C ATOM 105 C LYS A 10 -9.438 -10.362 3.019 1.00 0.00 C ATOM 106 O LYS A 10 -9.657 -10.440 4.226 1.00 0.00 O ATOM 107 CB LYS A 10 -10.838 -11.008 0.973 1.00 0.00 C ATOM 108 CG LYS A 10 -10.648 -11.830 -0.304 1.00 0.00 C ATOM 109 CD LYS A 10 -11.235 -11.103 -1.516 1.00 0.00 C ATOM 110 CE LYS A 10 -10.657 -11.657 -2.820 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.719 -12.301 -3.624 1.00 0.00 N ATOM 0 H LYS A 10 -11.173 -12.238 3.543 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.995 -11.839 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.869 -11.096 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.661 -9.954 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.586 -12.016 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.129 -12.802 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.320 -11.212 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.022 -10.037 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.197 -10.851 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.871 -12.379 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.310 -12.672 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.139 -13.083 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.455 -11.602 -3.851 1.00 0.00 H new ATOM 125 N VAL A 11 -8.818 -9.348 2.433 1.00 0.00 N ATOM 126 CA VAL A 11 -8.337 -8.217 3.207 1.00 0.00 C ATOM 127 C VAL A 11 -8.388 -6.955 2.343 1.00 0.00 C ATOM 128 O VAL A 11 -7.944 -6.964 1.197 1.00 0.00 O ATOM 129 CB VAL A 11 -6.937 -8.512 3.751 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.989 -9.579 4.847 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.988 -8.927 2.625 1.00 0.00 C ATOM 0 H VAL A 11 -8.638 -9.287 1.431 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.978 -8.046 4.072 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.549 -7.595 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.982 -9.770 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.616 -9.228 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.407 -10.499 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.000 -9.131 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.370 -9.825 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.916 -8.121 1.894 1.00 0.00 H new ATOM 141 N SER A 12 -8.935 -5.899 2.928 1.00 0.00 N ATOM 142 CA SER A 12 -9.051 -4.632 2.226 1.00 0.00 C ATOM 143 C SER A 12 -7.956 -3.672 2.695 1.00 0.00 C ATOM 144 O SER A 12 -7.643 -3.615 3.884 1.00 0.00 O ATOM 145 CB SER A 12 -10.431 -4.007 2.440 1.00 0.00 C ATOM 146 OG SER A 12 -10.604 -3.538 3.775 1.00 0.00 O ATOM 0 H SER A 12 -9.302 -5.895 3.880 1.00 0.00 H new ATOM 0 HA SER A 12 -8.929 -4.820 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.566 -3.179 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.202 -4.743 2.212 1.00 0.00 H new ATOM 0 HG SER A 12 -11.497 -3.145 3.870 1.00 0.00 H new ATOM 152 N PHE A 13 -7.403 -2.941 1.738 1.00 0.00 N ATOM 153 CA PHE A 13 -6.350 -1.987 2.039 1.00 0.00 C ATOM 154 C PHE A 13 -6.770 -0.567 1.652 1.00 0.00 C ATOM 155 O PHE A 13 -7.055 -0.296 0.487 1.00 0.00 O ATOM 156 CB PHE A 13 -5.131 -2.390 1.207 1.00 0.00 C ATOM 157 CG PHE A 13 -4.870 -3.897 1.174 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.516 -4.679 0.269 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.992 -4.454 2.051 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.274 -6.078 0.239 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.750 -5.853 2.020 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.396 -6.636 1.115 1.00 0.00 C ATOM 0 H PHE A 13 -7.665 -2.991 0.753 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.134 -1.995 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.267 -2.033 0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.250 -1.888 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.213 -4.236 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.479 -3.833 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.787 -6.699 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.052 -6.295 2.716 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.212 -7.700 1.092 1.00 0.00 H new ATOM 172 N LYS A 14 -6.794 0.302 2.652 1.00 0.00 N ATOM 173 CA LYS A 14 -7.174 1.686 2.431 1.00 0.00 C ATOM 174 C LYS A 14 -5.912 2.543 2.302 1.00 0.00 C ATOM 175 O LYS A 14 -5.340 2.966 3.305 1.00 0.00 O ATOM 176 CB LYS A 14 -8.130 2.161 3.528 1.00 0.00 C ATOM 177 CG LYS A 14 -9.029 3.290 3.021 1.00 0.00 C ATOM 178 CD LYS A 14 -10.059 3.689 4.080 1.00 0.00 C ATOM 179 CE LYS A 14 -11.484 3.487 3.562 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.825 2.047 3.529 1.00 0.00 N ATOM 0 H LYS A 14 -6.556 0.074 3.617 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.724 1.785 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.744 1.326 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.558 2.506 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.420 4.154 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.541 2.972 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.908 3.095 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.914 4.733 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.188 4.019 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.577 3.912 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.796 1.928 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.164 1.548 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.756 1.652 4.488 1.00 0.00 H new ATOM 194 N ILE A 15 -5.517 2.772 1.059 1.00 0.00 N ATOM 195 CA ILE A 15 -4.334 3.571 0.785 1.00 0.00 C ATOM 196 C ILE A 15 -4.751 4.877 0.107 1.00 0.00 C ATOM 197 O ILE A 15 -5.735 4.912 -0.629 1.00 0.00 O ATOM 198 CB ILE A 15 -3.314 2.760 -0.017 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.940 1.470 0.717 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.084 3.605 -0.353 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.645 0.341 -0.273 1.00 0.00 C ATOM 0 H ILE A 15 -5.995 2.419 0.230 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.833 3.840 1.715 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.774 2.471 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.067 1.645 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.754 1.175 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.375 3.005 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.387 4.469 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.613 3.944 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.382 -0.564 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.528 0.152 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.814 0.630 -0.917 1.00 0.00 H new ATOM 213 N THR A 16 -3.980 5.920 0.380 1.00 0.00 N ATOM 214 CA THR A 16 -4.257 7.226 -0.195 1.00 0.00 C ATOM 215 C THR A 16 -3.019 7.766 -0.913 1.00 0.00 C ATOM 216 O THR A 16 -2.054 8.177 -0.270 1.00 0.00 O ATOM 217 CB THR A 16 -4.757 8.139 0.926 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.076 7.670 1.194 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.962 9.581 0.458 1.00 0.00 C ATOM 0 H THR A 16 -3.164 5.887 0.991 1.00 0.00 H new ATOM 0 HA THR A 16 -5.035 7.167 -0.956 1.00 0.00 H new ATOM 0 HB THR A 16 -4.046 8.123 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.474 8.206 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.317 10.187 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.017 9.983 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.698 9.602 -0.345 1.00 0.00 H new ATOM 227 N LEU A 17 -3.086 7.748 -2.236 1.00 0.00 N ATOM 228 CA LEU A 17 -1.983 8.231 -3.048 1.00 0.00 C ATOM 229 C LEU A 17 -1.565 9.620 -2.559 1.00 0.00 C ATOM 230 O LEU A 17 -2.349 10.566 -2.623 1.00 0.00 O ATOM 231 CB LEU A 17 -2.350 8.187 -4.532 1.00 0.00 C ATOM 232 CG LEU A 17 -1.546 9.110 -5.450 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.122 8.587 -5.643 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.266 9.319 -6.784 1.00 0.00 C ATOM 0 H LEU A 17 -3.888 7.406 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.116 7.579 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.231 7.163 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.406 8.438 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.468 10.085 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.428 9.262 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.380 8.532 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.157 7.594 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.673 9.979 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.396 8.358 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.242 9.769 -6.604 1.00 0.00 H new ATOM 246 N THR A 18 -0.332 9.698 -2.082 1.00 0.00 N ATOM 247 CA THR A 18 0.199 10.955 -1.582 1.00 0.00 C ATOM 248 C THR A 18 1.104 11.606 -2.631 1.00 0.00 C ATOM 249 O THR A 18 2.237 11.172 -2.833 1.00 0.00 O ATOM 250 CB THR A 18 0.910 10.674 -0.257 1.00 0.00 C ATOM 251 OG1 THR A 18 1.864 9.666 -0.581 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.006 10.004 0.769 1.00 0.00 C ATOM 0 H THR A 18 0.315 8.911 -2.031 1.00 0.00 H new ATOM 0 HA THR A 18 -0.598 11.674 -1.394 1.00 0.00 H new ATOM 0 HB THR A 18 1.293 11.608 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.345 9.921 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.548 9.827 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.857 10.653 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.363 9.054 0.372 1.00 0.00 H new ATOM 260 N SER A 19 0.569 12.636 -3.269 1.00 0.00 N ATOM 261 CA SER A 19 1.313 13.351 -4.292 1.00 0.00 C ATOM 262 C SER A 19 0.503 14.551 -4.786 1.00 0.00 C ATOM 263 O SER A 19 0.820 15.695 -4.462 1.00 0.00 O ATOM 264 CB SER A 19 1.666 12.430 -5.462 1.00 0.00 C ATOM 265 OG SER A 19 0.548 11.657 -5.888 1.00 0.00 O ATOM 0 H SER A 19 -0.371 12.993 -3.097 1.00 0.00 H new ATOM 0 HA SER A 19 2.244 13.707 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.033 13.028 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.477 11.764 -5.167 1.00 0.00 H new ATOM 0 HG SER A 19 0.626 11.470 -6.847 1.00 0.00 H new ATOM 271 N ASP A 20 -0.527 14.249 -5.563 1.00 0.00 N ATOM 272 CA ASP A 20 -1.385 15.289 -6.106 1.00 0.00 C ATOM 273 C ASP A 20 -2.165 15.946 -4.966 1.00 0.00 C ATOM 274 O ASP A 20 -2.365 15.340 -3.914 1.00 0.00 O ATOM 275 CB ASP A 20 -2.396 14.707 -7.096 1.00 0.00 C ATOM 276 CG ASP A 20 -2.496 15.451 -8.430 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.438 15.594 -9.080 1.00 0.00 O ATOM 278 OD2 ASP A 20 -3.627 15.859 -8.769 1.00 0.00 O ATOM 0 H ASP A 20 -0.787 13.299 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.753 16.014 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.131 13.669 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.380 14.700 -6.626 1.00 0.00 H new ATOM 283 N PRO A 21 -2.596 17.211 -5.219 1.00 0.00 N ATOM 284 CA PRO A 21 -3.350 17.958 -4.226 1.00 0.00 C ATOM 285 C PRO A 21 -4.790 17.449 -4.134 1.00 0.00 C ATOM 286 O PRO A 21 -5.736 18.218 -4.296 1.00 0.00 O ATOM 287 CB PRO A 21 -3.261 19.408 -4.674 1.00 0.00 C ATOM 288 CG PRO A 21 -2.860 19.368 -6.139 1.00 0.00 C ATOM 289 CD PRO A 21 -2.379 17.961 -6.453 1.00 0.00 C ATOM 0 HA PRO A 21 -2.951 17.840 -3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.217 19.916 -4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.526 19.955 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.706 19.633 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.072 20.094 -6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.937 17.528 -7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.327 17.957 -6.739 1.00 0.00 H new ATOM 297 N ARG A 22 -4.910 16.155 -3.874 1.00 0.00 N ATOM 298 CA ARG A 22 -6.219 15.534 -3.757 1.00 0.00 C ATOM 299 C ARG A 22 -6.186 14.420 -2.709 1.00 0.00 C ATOM 300 O ARG A 22 -7.031 14.379 -1.815 1.00 0.00 O ATOM 301 CB ARG A 22 -6.672 14.951 -5.097 1.00 0.00 C ATOM 302 CG ARG A 22 -7.246 16.041 -6.004 1.00 0.00 C ATOM 303 CD ARG A 22 -8.733 15.803 -6.275 1.00 0.00 C ATOM 304 NE ARG A 22 -9.470 17.085 -6.214 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.677 17.285 -6.760 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.290 16.288 -7.413 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.271 18.481 -6.655 1.00 0.00 N ATOM 0 H ARG A 22 -4.123 15.520 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.926 16.305 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.829 14.469 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.425 14.181 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.109 17.016 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.699 16.059 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.864 15.345 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.138 15.106 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.031 17.866 -5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.838 15.377 -7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.209 16.440 -7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.804 19.240 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.190 18.632 -7.071 1.00 0.00 H new ATOM 321 N LEU A 23 -5.203 13.544 -2.853 1.00 0.00 N ATOM 322 CA LEU A 23 -5.049 12.433 -1.929 1.00 0.00 C ATOM 323 C LEU A 23 -6.267 11.512 -2.039 1.00 0.00 C ATOM 324 O LEU A 23 -7.036 11.379 -1.088 1.00 0.00 O ATOM 325 CB LEU A 23 -4.792 12.946 -0.511 1.00 0.00 C ATOM 326 CG LEU A 23 -3.334 13.252 -0.163 1.00 0.00 C ATOM 327 CD1 LEU A 23 -2.979 14.698 -0.514 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.042 12.930 1.304 1.00 0.00 C ATOM 0 H LEU A 23 -4.505 13.581 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.174 11.838 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.378 13.853 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.166 12.205 0.196 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.695 12.608 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.937 14.890 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.125 14.859 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.622 15.377 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.999 13.156 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.688 13.531 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.231 11.873 1.489 1.00 0.00 H new ATOM 340 N PRO A 24 -6.407 10.885 -3.237 1.00 0.00 N ATOM 341 CA PRO A 24 -7.518 9.981 -3.483 1.00 0.00 C ATOM 342 C PRO A 24 -7.305 8.645 -2.769 1.00 0.00 C ATOM 343 O PRO A 24 -6.174 8.278 -2.454 1.00 0.00 O ATOM 344 CB PRO A 24 -7.585 9.843 -4.995 1.00 0.00 C ATOM 345 CG PRO A 24 -6.232 10.298 -5.516 1.00 0.00 C ATOM 346 CD PRO A 24 -5.516 11.019 -4.386 1.00 0.00 C ATOM 0 HA PRO A 24 -8.462 10.357 -3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.788 8.812 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.388 10.454 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.646 9.443 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.356 10.960 -6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.542 10.573 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.342 12.067 -4.632 1.00 0.00 H new ATOM 354 N TYR A 25 -8.411 7.953 -2.535 1.00 0.00 N ATOM 355 CA TYR A 25 -8.360 6.665 -1.865 1.00 0.00 C ATOM 356 C TYR A 25 -9.060 5.587 -2.695 1.00 0.00 C ATOM 357 O TYR A 25 -9.931 5.892 -3.508 1.00 0.00 O ATOM 358 CB TYR A 25 -9.114 6.846 -0.546 1.00 0.00 C ATOM 359 CG TYR A 25 -10.631 6.691 -0.670 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.410 7.779 -1.007 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.220 5.463 -0.445 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.838 7.633 -1.123 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.648 5.318 -0.562 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.386 6.410 -0.895 1.00 0.00 C ATOM 365 OH TYR A 25 -14.735 6.272 -1.006 1.00 0.00 O ATOM 0 H TYR A 25 -9.347 8.260 -2.798 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.327 6.350 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.743 6.119 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.892 7.835 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.949 8.740 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.610 4.611 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.460 8.476 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.122 4.363 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.986 5.344 -0.817 1.00 0.00 H new ATOM 375 N LYS A 26 -8.652 4.348 -2.461 1.00 0.00 N ATOM 376 CA LYS A 26 -9.229 3.223 -3.177 1.00 0.00 C ATOM 377 C LYS A 26 -9.293 2.010 -2.245 1.00 0.00 C ATOM 378 O LYS A 26 -8.360 1.757 -1.485 1.00 0.00 O ATOM 379 CB LYS A 26 -8.461 2.962 -4.474 1.00 0.00 C ATOM 380 CG LYS A 26 -7.059 2.421 -4.182 1.00 0.00 C ATOM 381 CD LYS A 26 -7.041 0.892 -4.227 1.00 0.00 C ATOM 382 CE LYS A 26 -5.836 0.382 -5.020 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.178 -0.733 -4.303 1.00 0.00 N ATOM 0 H LYS A 26 -7.929 4.099 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.252 3.448 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.010 2.248 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.386 3.885 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.353 2.818 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.730 2.763 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.008 0.495 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.962 0.527 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.157 0.048 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.125 1.193 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.198 -0.470 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.695 -0.933 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.178 -1.581 -4.905 1.00 0.00 H new ATOM 397 N VAL A 27 -10.404 1.293 -2.335 1.00 0.00 N ATOM 398 CA VAL A 27 -10.602 0.113 -1.511 1.00 0.00 C ATOM 399 C VAL A 27 -10.305 -1.138 -2.339 1.00 0.00 C ATOM 400 O VAL A 27 -11.113 -1.539 -3.176 1.00 0.00 O ATOM 401 CB VAL A 27 -12.013 0.119 -0.920 1.00 0.00 C ATOM 402 CG1 VAL A 27 -12.170 -0.978 0.135 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.360 1.492 -0.340 1.00 0.00 C ATOM 0 H VAL A 27 -11.176 1.507 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.911 0.115 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.715 -0.090 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.182 -0.952 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.987 -1.951 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.453 -0.814 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.368 1.468 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.651 1.744 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.309 2.243 -1.128 1.00 0.00 H new ATOM 413 N LEU A 28 -9.144 -1.721 -2.076 1.00 0.00 N ATOM 414 CA LEU A 28 -8.731 -2.919 -2.787 1.00 0.00 C ATOM 415 C LEU A 28 -9.172 -4.153 -1.997 1.00 0.00 C ATOM 416 O LEU A 28 -9.448 -4.063 -0.802 1.00 0.00 O ATOM 417 CB LEU A 28 -7.229 -2.879 -3.077 1.00 0.00 C ATOM 418 CG LEU A 28 -6.701 -3.951 -4.032 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.198 -3.707 -5.459 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.176 -4.044 -3.964 1.00 0.00 C ATOM 0 H LEU A 28 -8.477 -1.386 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.219 -2.972 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.985 -1.900 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.694 -2.968 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.096 -4.916 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.808 -4.483 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.288 -3.732 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.853 -2.732 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.827 -4.814 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.740 -3.084 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.872 -4.301 -2.949 1.00 0.00 H new ATOM 432 N SER A 29 -9.224 -5.277 -2.697 1.00 0.00 N ATOM 433 CA SER A 29 -9.627 -6.527 -2.076 1.00 0.00 C ATOM 434 C SER A 29 -8.869 -7.695 -2.711 1.00 0.00 C ATOM 435 O SER A 29 -8.957 -7.913 -3.919 1.00 0.00 O ATOM 436 CB SER A 29 -11.136 -6.743 -2.202 1.00 0.00 C ATOM 437 OG SER A 29 -11.757 -6.926 -0.932 1.00 0.00 O ATOM 0 H SER A 29 -8.994 -5.348 -3.688 1.00 0.00 H new ATOM 0 HA SER A 29 -9.382 -6.477 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.584 -5.886 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.326 -7.615 -2.828 1.00 0.00 H new ATOM 0 HG SER A 29 -12.720 -7.059 -1.055 1.00 0.00 H new ATOM 443 N VAL A 30 -8.142 -8.414 -1.869 1.00 0.00 N ATOM 444 CA VAL A 30 -7.369 -9.554 -2.333 1.00 0.00 C ATOM 445 C VAL A 30 -7.272 -10.589 -1.211 1.00 0.00 C ATOM 446 O VAL A 30 -7.419 -10.253 -0.037 1.00 0.00 O ATOM 447 CB VAL A 30 -6.002 -9.088 -2.838 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.130 -7.809 -3.667 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.026 -8.894 -1.676 1.00 0.00 C ATOM 0 H VAL A 30 -8.072 -8.230 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.865 -10.035 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.601 -9.867 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.144 -7.500 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.775 -7.995 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.563 -7.019 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.062 -8.563 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.420 -8.143 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.899 -9.838 -1.146 1.00 0.00 H new ATOM 459 N PRO A 31 -7.017 -11.860 -1.622 1.00 0.00 N ATOM 460 CA PRO A 31 -6.897 -12.947 -0.665 1.00 0.00 C ATOM 461 C PRO A 31 -5.560 -12.881 0.075 1.00 0.00 C ATOM 462 O PRO A 31 -4.500 -12.892 -0.548 1.00 0.00 O ATOM 463 CB PRO A 31 -7.059 -14.215 -1.487 1.00 0.00 C ATOM 464 CG PRO A 31 -6.799 -13.813 -2.930 1.00 0.00 C ATOM 465 CD PRO A 31 -6.835 -12.295 -3.004 1.00 0.00 C ATOM 0 HA PRO A 31 -7.650 -12.900 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.356 -14.983 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.060 -14.630 -1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.831 -14.189 -3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.552 -14.245 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.912 -11.897 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.651 -11.949 -3.639 1.00 0.00 H new ATOM 473 N GLU A 32 -5.654 -12.814 1.395 1.00 0.00 N ATOM 474 CA GLU A 32 -4.464 -12.747 2.227 1.00 0.00 C ATOM 475 C GLU A 32 -3.372 -13.659 1.666 1.00 0.00 C ATOM 476 O GLU A 32 -2.212 -13.261 1.574 1.00 0.00 O ATOM 477 CB GLU A 32 -4.789 -13.109 3.678 1.00 0.00 C ATOM 478 CG GLU A 32 -5.619 -14.391 3.751 1.00 0.00 C ATOM 479 CD GLU A 32 -5.964 -14.740 5.200 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.223 -14.268 6.089 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.961 -15.471 5.387 1.00 0.00 O ATOM 0 H GLU A 32 -6.535 -12.805 1.909 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.094 -11.722 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.864 -13.238 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.335 -12.291 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.536 -14.268 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.065 -15.213 3.297 1.00 0.00 H new ATOM 488 N SER A 33 -3.781 -14.867 1.306 1.00 0.00 N ATOM 489 CA SER A 33 -2.851 -15.839 0.756 1.00 0.00 C ATOM 490 C SER A 33 -1.854 -15.143 -0.173 1.00 0.00 C ATOM 491 O SER A 33 -0.714 -15.584 -0.307 1.00 0.00 O ATOM 492 CB SER A 33 -3.593 -16.947 0.005 1.00 0.00 C ATOM 493 OG SER A 33 -4.477 -16.422 -0.982 1.00 0.00 O ATOM 0 H SER A 33 -4.744 -15.195 1.384 1.00 0.00 H new ATOM 0 HA SER A 33 -2.308 -16.298 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.870 -17.609 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.159 -17.550 0.715 1.00 0.00 H new ATOM 0 HG SER A 33 -4.931 -17.160 -1.441 1.00 0.00 H new ATOM 499 N THR A 34 -2.321 -14.067 -0.789 1.00 0.00 N ATOM 500 CA THR A 34 -1.485 -13.306 -1.702 1.00 0.00 C ATOM 501 C THR A 34 -0.544 -12.386 -0.921 1.00 0.00 C ATOM 502 O THR A 34 -0.913 -11.862 0.129 1.00 0.00 O ATOM 503 CB THR A 34 -2.402 -12.557 -2.670 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.911 -13.577 -3.525 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.628 -11.632 -3.613 1.00 0.00 C ATOM 0 H THR A 34 -3.267 -13.704 -0.674 1.00 0.00 H new ATOM 0 HA THR A 34 -0.838 -13.961 -2.286 1.00 0.00 H new ATOM 0 HB THR A 34 -3.128 -11.973 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.517 -13.179 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.326 -11.125 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.081 -10.892 -3.029 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.925 -12.220 -4.204 1.00 0.00 H new ATOM 513 N PRO A 35 0.684 -12.213 -1.478 1.00 0.00 N ATOM 514 CA PRO A 35 1.681 -11.365 -0.846 1.00 0.00 C ATOM 515 C PRO A 35 1.346 -9.885 -1.042 1.00 0.00 C ATOM 516 O PRO A 35 1.057 -9.453 -2.157 1.00 0.00 O ATOM 517 CB PRO A 35 3.001 -11.765 -1.485 1.00 0.00 C ATOM 518 CG PRO A 35 2.638 -12.486 -2.773 1.00 0.00 C ATOM 519 CD PRO A 35 1.156 -12.818 -2.721 1.00 0.00 C ATOM 0 HA PRO A 35 1.721 -11.498 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.618 -10.890 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.575 -12.413 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.858 -11.858 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.229 -13.395 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.629 -12.412 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.991 -13.895 -2.725 1.00 0.00 H new ATOM 527 N PHE A 36 1.394 -9.150 0.059 1.00 0.00 N ATOM 528 CA PHE A 36 1.099 -7.727 0.022 1.00 0.00 C ATOM 529 C PHE A 36 1.895 -7.031 -1.084 1.00 0.00 C ATOM 530 O PHE A 36 1.504 -5.965 -1.557 1.00 0.00 O ATOM 531 CB PHE A 36 1.517 -7.149 1.376 1.00 0.00 C ATOM 532 CG PHE A 36 0.741 -5.895 1.783 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.027 -4.699 1.200 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.235 -5.975 2.726 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.307 -3.535 1.578 1.00 0.00 C ATOM 536 CE2 PHE A 36 -0.955 -4.811 3.104 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.669 -3.615 2.522 1.00 0.00 C ATOM 0 H PHE A 36 1.633 -9.512 0.982 1.00 0.00 H new ATOM 0 HA PHE A 36 0.039 -7.571 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.382 -7.912 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.580 -6.912 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.801 -4.635 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.463 -6.924 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.534 -2.586 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.730 -4.875 3.854 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.217 -2.730 2.809 1.00 0.00 H new ATOM 547 N THR A 37 2.997 -7.661 -1.463 1.00 0.00 N ATOM 548 CA THR A 37 3.850 -7.116 -2.504 1.00 0.00 C ATOM 549 C THR A 37 3.057 -6.922 -3.798 1.00 0.00 C ATOM 550 O THR A 37 3.407 -6.082 -4.625 1.00 0.00 O ATOM 551 CB THR A 37 5.055 -8.045 -2.664 1.00 0.00 C ATOM 552 OG1 THR A 37 6.101 -7.185 -3.108 1.00 0.00 O ATOM 553 CG2 THR A 37 4.878 -9.041 -3.812 1.00 0.00 C ATOM 0 H THR A 37 3.319 -8.544 -1.067 1.00 0.00 H new ATOM 0 HA THR A 37 4.218 -6.126 -2.234 1.00 0.00 H new ATOM 0 HB THR A 37 5.220 -8.589 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.921 -7.706 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.761 -9.676 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.000 -9.659 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.747 -8.498 -4.748 1.00 0.00 H new ATOM 561 N ALA A 38 2.003 -7.714 -3.932 1.00 0.00 N ATOM 562 CA ALA A 38 1.156 -7.641 -5.111 1.00 0.00 C ATOM 563 C ALA A 38 0.227 -6.431 -4.991 1.00 0.00 C ATOM 564 O ALA A 38 -0.161 -5.841 -5.998 1.00 0.00 O ATOM 565 CB ALA A 38 0.387 -8.954 -5.270 1.00 0.00 C ATOM 0 H ALA A 38 1.716 -8.410 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 38 1.759 -7.506 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.248 -8.899 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.092 -9.778 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.232 -9.122 -4.389 1.00 0.00 H new ATOM 571 N VAL A 39 -0.103 -6.099 -3.752 1.00 0.00 N ATOM 572 CA VAL A 39 -0.980 -4.971 -3.488 1.00 0.00 C ATOM 573 C VAL A 39 -0.385 -3.710 -4.118 1.00 0.00 C ATOM 574 O VAL A 39 -0.989 -3.110 -5.005 1.00 0.00 O ATOM 575 CB VAL A 39 -1.217 -4.833 -1.983 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.132 -3.645 -1.679 1.00 0.00 C ATOM 577 CG2 VAL A 39 -1.785 -6.127 -1.396 1.00 0.00 C ATOM 0 H VAL A 39 0.221 -6.591 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.957 -5.132 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.254 -4.645 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.284 -3.569 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.671 -2.728 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.093 -3.790 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.944 -6.002 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.734 -6.360 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.082 -6.943 -1.565 1.00 0.00 H new ATOM 587 N LEU A 40 0.794 -3.345 -3.634 1.00 0.00 N ATOM 588 CA LEU A 40 1.477 -2.166 -4.138 1.00 0.00 C ATOM 589 C LEU A 40 1.428 -2.168 -5.667 1.00 0.00 C ATOM 590 O LEU A 40 1.125 -1.147 -6.283 1.00 0.00 O ATOM 591 CB LEU A 40 2.895 -2.085 -3.569 1.00 0.00 C ATOM 592 CG LEU A 40 3.985 -2.787 -4.381 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.379 -1.956 -5.604 1.00 0.00 C ATOM 594 CD2 LEU A 40 5.192 -3.124 -3.503 1.00 0.00 C ATOM 0 H LEU A 40 1.293 -3.845 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 40 0.971 -1.260 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.165 -1.034 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.887 -2.510 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 40 3.582 -3.730 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.155 -2.478 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.507 -1.811 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.756 -0.986 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.952 -3.622 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.605 -2.206 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.880 -3.784 -2.693 1.00 0.00 H new ATOM 606 N LYS A 41 1.729 -3.326 -6.236 1.00 0.00 N ATOM 607 CA LYS A 41 1.722 -3.474 -7.681 1.00 0.00 C ATOM 608 C LYS A 41 0.315 -3.193 -8.212 1.00 0.00 C ATOM 609 O LYS A 41 0.154 -2.513 -9.224 1.00 0.00 O ATOM 610 CB LYS A 41 2.268 -4.847 -8.082 1.00 0.00 C ATOM 611 CG LYS A 41 3.795 -4.875 -7.997 1.00 0.00 C ATOM 612 CD LYS A 41 4.312 -6.312 -7.891 1.00 0.00 C ATOM 613 CE LYS A 41 5.813 -6.334 -7.598 1.00 0.00 C ATOM 614 NZ LYS A 41 6.581 -6.550 -8.845 1.00 0.00 N ATOM 0 H LYS A 41 1.979 -4.171 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 41 2.388 -2.744 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.850 -5.614 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.952 -5.086 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.221 -4.396 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.125 -4.301 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.776 -6.838 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.111 -6.844 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.113 -5.393 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.039 -7.125 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.598 -6.562 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.306 -7.459 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.379 -5.781 -9.515 1.00 0.00 H new ATOM 628 N PHE A 42 -0.668 -3.731 -7.505 1.00 0.00 N ATOM 629 CA PHE A 42 -2.056 -3.547 -7.892 1.00 0.00 C ATOM 630 C PHE A 42 -2.481 -2.086 -7.731 1.00 0.00 C ATOM 631 O PHE A 42 -2.996 -1.478 -8.668 1.00 0.00 O ATOM 632 CB PHE A 42 -2.900 -4.417 -6.959 1.00 0.00 C ATOM 633 CG PHE A 42 -4.283 -4.764 -7.513 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.140 -3.771 -7.874 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.656 -6.065 -7.645 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.424 -4.093 -8.389 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.940 -6.387 -8.160 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.796 -5.395 -8.521 1.00 0.00 C ATOM 0 H PHE A 42 -0.530 -4.295 -6.666 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.190 -3.823 -8.938 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.360 -5.341 -6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.021 -3.900 -6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.844 -2.738 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.976 -6.853 -7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.104 -3.305 -8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.236 -7.420 -8.265 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.772 -5.640 -8.913 1.00 0.00 H new ATOM 648 N ALA A 43 -2.249 -1.564 -6.535 1.00 0.00 N ATOM 649 CA ALA A 43 -2.601 -0.186 -6.239 1.00 0.00 C ATOM 650 C ALA A 43 -2.079 0.721 -7.355 1.00 0.00 C ATOM 651 O ALA A 43 -2.735 1.691 -7.730 1.00 0.00 O ATOM 652 CB ALA A 43 -2.046 0.199 -4.866 1.00 0.00 C ATOM 0 H ALA A 43 -1.822 -2.071 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.684 -0.067 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.310 1.233 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.471 -0.456 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.961 0.094 -4.870 1.00 0.00 H new ATOM 658 N ALA A 44 -0.901 0.373 -7.853 1.00 0.00 N ATOM 659 CA ALA A 44 -0.283 1.143 -8.919 1.00 0.00 C ATOM 660 C ALA A 44 -1.197 1.135 -10.145 1.00 0.00 C ATOM 661 O ALA A 44 -1.514 2.189 -10.695 1.00 0.00 O ATOM 662 CB ALA A 44 1.104 0.573 -9.222 1.00 0.00 C ATOM 0 H ALA A 44 -0.359 -0.431 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.150 2.181 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.568 1.150 -10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.724 0.629 -8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.010 -0.467 -9.533 1.00 0.00 H new ATOM 668 N GLU A 45 -1.597 -0.065 -10.538 1.00 0.00 N ATOM 669 CA GLU A 45 -2.469 -0.224 -11.689 1.00 0.00 C ATOM 670 C GLU A 45 -3.804 0.482 -11.445 1.00 0.00 C ATOM 671 O GLU A 45 -4.559 0.731 -12.384 1.00 0.00 O ATOM 672 CB GLU A 45 -2.683 -1.704 -12.015 1.00 0.00 C ATOM 673 CG GLU A 45 -1.489 -2.275 -12.781 1.00 0.00 C ATOM 674 CD GLU A 45 -1.953 -3.172 -13.930 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.069 -3.721 -13.807 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.181 -3.289 -14.906 1.00 0.00 O ATOM 0 H GLU A 45 -1.333 -0.937 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.988 0.238 -12.551 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.830 -2.266 -11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.590 -1.822 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.881 -1.460 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.856 -2.846 -12.102 1.00 0.00 H new ATOM 683 N GLU A 46 -4.055 0.785 -10.180 1.00 0.00 N ATOM 684 CA GLU A 46 -5.285 1.458 -9.801 1.00 0.00 C ATOM 685 C GLU A 46 -5.124 2.974 -9.934 1.00 0.00 C ATOM 686 O GLU A 46 -6.056 3.667 -10.340 1.00 0.00 O ATOM 687 CB GLU A 46 -5.705 1.074 -8.381 1.00 0.00 C ATOM 688 CG GLU A 46 -7.047 0.340 -8.385 1.00 0.00 C ATOM 689 CD GLU A 46 -8.179 1.263 -7.929 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.440 2.244 -8.657 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.757 0.966 -6.861 1.00 0.00 O ATOM 0 H GLU A 46 -3.427 0.576 -9.404 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.076 1.136 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.941 0.440 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.779 1.970 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.259 -0.033 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.993 -0.527 -7.727 1.00 0.00 H new ATOM 698 N PHE A 47 -3.936 3.443 -9.585 1.00 0.00 N ATOM 699 CA PHE A 47 -3.641 4.864 -9.660 1.00 0.00 C ATOM 700 C PHE A 47 -2.959 5.213 -10.985 1.00 0.00 C ATOM 701 O PHE A 47 -2.224 6.196 -11.069 1.00 0.00 O ATOM 702 CB PHE A 47 -2.687 5.185 -8.508 1.00 0.00 C ATOM 703 CG PHE A 47 -3.370 5.281 -7.143 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.217 6.311 -6.877 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.129 4.336 -6.194 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.851 6.400 -5.610 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.763 4.426 -4.927 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.611 5.455 -4.661 1.00 0.00 C ATOM 0 H PHE A 47 -3.166 2.865 -9.249 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.564 5.440 -9.595 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.916 4.416 -8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.184 6.129 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.407 7.062 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.456 3.518 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.524 7.218 -5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.572 3.676 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.094 5.522 -3.697 1.00 0.00 H new ATOM 718 N LYS A 48 -3.225 4.388 -11.986 1.00 0.00 N ATOM 719 CA LYS A 48 -2.646 4.596 -13.302 1.00 0.00 C ATOM 720 C LYS A 48 -1.175 4.988 -13.151 1.00 0.00 C ATOM 721 O LYS A 48 -0.720 5.954 -13.762 1.00 0.00 O ATOM 722 CB LYS A 48 -3.473 5.608 -14.097 1.00 0.00 C ATOM 723 CG LYS A 48 -3.818 5.065 -15.486 1.00 0.00 C ATOM 724 CD LYS A 48 -5.333 5.033 -15.701 1.00 0.00 C ATOM 725 CE LYS A 48 -5.934 3.728 -15.176 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.644 3.963 -13.898 1.00 0.00 N ATOM 0 H LYS A 48 -3.834 3.573 -11.912 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.673 3.672 -13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.390 5.839 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.917 6.540 -14.195 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.352 5.687 -16.250 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.410 4.061 -15.600 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.794 5.880 -15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.555 5.139 -16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.624 3.316 -15.912 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.145 2.990 -15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.046 3.068 -13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.976 4.335 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.409 4.651 -14.047 1.00 0.00 H new ATOM 740 N VAL A 49 -0.472 4.219 -12.333 1.00 0.00 N ATOM 741 CA VAL A 49 0.939 4.474 -12.094 1.00 0.00 C ATOM 742 C VAL A 49 1.724 3.172 -12.267 1.00 0.00 C ATOM 743 O VAL A 49 1.162 2.084 -12.153 1.00 0.00 O ATOM 744 CB VAL A 49 1.129 5.108 -10.714 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.404 6.452 -10.624 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.666 4.160 -9.606 1.00 0.00 C ATOM 0 H VAL A 49 -0.853 3.419 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 49 1.328 5.187 -12.821 1.00 0.00 H new ATOM 0 HB VAL A 49 2.194 5.292 -10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.555 6.881 -9.634 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.802 7.131 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.662 6.303 -10.796 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.812 4.635 -8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.391 3.930 -9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.246 3.238 -9.650 1.00 0.00 H new ATOM 756 N PRO A 50 3.046 3.331 -12.546 1.00 0.00 N ATOM 757 CA PRO A 50 3.914 2.182 -12.736 1.00 0.00 C ATOM 758 C PRO A 50 4.242 1.516 -11.399 1.00 0.00 C ATOM 759 O PRO A 50 4.505 2.197 -10.409 1.00 0.00 O ATOM 760 CB PRO A 50 5.143 2.730 -13.444 1.00 0.00 C ATOM 761 CG PRO A 50 5.124 4.232 -13.209 1.00 0.00 C ATOM 762 CD PRO A 50 3.745 4.605 -12.689 1.00 0.00 C ATOM 0 HA PRO A 50 3.447 1.395 -13.329 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.054 2.284 -13.046 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.115 2.501 -14.509 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.893 4.516 -12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.340 4.766 -14.134 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.810 5.130 -11.736 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.226 5.266 -13.383 1.00 0.00 H new ATOM 770 N ALA A 51 4.215 0.191 -11.412 1.00 0.00 N ATOM 771 CA ALA A 51 4.506 -0.575 -10.212 1.00 0.00 C ATOM 772 C ALA A 51 6.019 -0.774 -10.094 1.00 0.00 C ATOM 773 O ALA A 51 6.487 -1.891 -9.878 1.00 0.00 O ATOM 774 CB ALA A 51 3.746 -1.902 -10.257 1.00 0.00 C ATOM 0 H ALA A 51 3.996 -0.371 -12.234 1.00 0.00 H new ATOM 0 HA ALA A 51 4.173 -0.038 -9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.964 -2.477 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.675 -1.706 -10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.057 -2.470 -11.134 1.00 0.00 H new ATOM 780 N ALA A 52 6.741 0.327 -10.240 1.00 0.00 N ATOM 781 CA ALA A 52 8.191 0.287 -10.152 1.00 0.00 C ATOM 782 C ALA A 52 8.677 1.450 -9.285 1.00 0.00 C ATOM 783 O ALA A 52 9.468 1.254 -8.363 1.00 0.00 O ATOM 784 CB ALA A 52 8.789 0.320 -11.560 1.00 0.00 C ATOM 0 H ALA A 52 6.349 1.252 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 52 8.522 -0.638 -9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.877 0.290 -11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.436 -0.542 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.481 1.236 -12.065 1.00 0.00 H new ATOM 790 N THR A 53 8.184 2.636 -9.611 1.00 0.00 N ATOM 791 CA THR A 53 8.558 3.831 -8.873 1.00 0.00 C ATOM 792 C THR A 53 7.542 4.113 -7.764 1.00 0.00 C ATOM 793 O THR A 53 7.233 5.269 -7.480 1.00 0.00 O ATOM 794 CB THR A 53 8.700 4.979 -9.874 1.00 0.00 C ATOM 795 OG1 THR A 53 7.357 5.382 -10.133 1.00 0.00 O ATOM 796 CG2 THR A 53 9.217 4.509 -11.235 1.00 0.00 C ATOM 0 H THR A 53 7.529 2.795 -10.376 1.00 0.00 H new ATOM 0 HA THR A 53 9.515 3.701 -8.368 1.00 0.00 H new ATOM 0 HB THR A 53 9.377 5.732 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.998 5.847 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.299 5.363 -11.908 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.197 4.048 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.524 3.781 -11.656 1.00 0.00 H new ATOM 804 N SER A 54 7.051 3.036 -7.168 1.00 0.00 N ATOM 805 CA SER A 54 6.076 3.154 -6.097 1.00 0.00 C ATOM 806 C SER A 54 6.521 2.323 -4.891 1.00 0.00 C ATOM 807 O SER A 54 7.310 1.390 -5.033 1.00 0.00 O ATOM 808 CB SER A 54 4.688 2.710 -6.564 1.00 0.00 C ATOM 809 OG SER A 54 4.601 1.295 -6.708 1.00 0.00 O ATOM 0 H SER A 54 7.310 2.079 -7.406 1.00 0.00 H new ATOM 0 HA SER A 54 6.013 4.202 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.939 3.048 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.456 3.186 -7.517 1.00 0.00 H new ATOM 0 HG SER A 54 3.700 1.051 -7.006 1.00 0.00 H new ATOM 815 N ALA A 55 5.996 2.693 -3.732 1.00 0.00 N ATOM 816 CA ALA A 55 6.330 1.994 -2.503 1.00 0.00 C ATOM 817 C ALA A 55 5.278 2.313 -1.438 1.00 0.00 C ATOM 818 O ALA A 55 4.662 3.378 -1.469 1.00 0.00 O ATOM 819 CB ALA A 55 7.743 2.382 -2.062 1.00 0.00 C ATOM 0 H ALA A 55 5.342 3.467 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 55 6.323 0.916 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.993 1.857 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.455 2.108 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.788 3.458 -1.891 1.00 0.00 H new ATOM 825 N ILE A 56 5.106 1.372 -0.522 1.00 0.00 N ATOM 826 CA ILE A 56 4.139 1.540 0.550 1.00 0.00 C ATOM 827 C ILE A 56 4.869 1.530 1.895 1.00 0.00 C ATOM 828 O ILE A 56 5.805 0.757 2.092 1.00 0.00 O ATOM 829 CB ILE A 56 3.033 0.489 0.443 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.281 0.617 -0.884 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.089 0.562 1.646 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.218 -0.475 -1.019 1.00 0.00 C ATOM 0 H ILE A 56 5.619 0.491 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 56 3.639 2.505 0.465 1.00 0.00 H new ATOM 0 HB ILE A 56 3.497 -0.497 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.810 1.598 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.985 0.549 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.312 -0.196 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.652 0.384 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.630 1.550 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.698 -0.361 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.695 -1.454 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.502 -0.389 -0.202 1.00 0.00 H new ATOM 844 N ILE A 57 4.413 2.398 2.786 1.00 0.00 N ATOM 845 CA ILE A 57 5.010 2.499 4.107 1.00 0.00 C ATOM 846 C ILE A 57 3.903 2.610 5.156 1.00 0.00 C ATOM 847 O ILE A 57 2.720 2.617 4.817 1.00 0.00 O ATOM 848 CB ILE A 57 6.018 3.650 4.152 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.341 4.984 3.830 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.208 3.373 3.232 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.064 6.145 4.516 1.00 0.00 C ATOM 0 H ILE A 57 3.637 3.038 2.619 1.00 0.00 H new ATOM 0 HA ILE A 57 5.578 1.598 4.338 1.00 0.00 H new ATOM 0 HB ILE A 57 6.408 3.724 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.334 5.141 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.301 4.956 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.909 4.206 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.708 2.458 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.856 3.257 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.563 7.081 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.048 5.997 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.097 6.185 4.171 1.00 0.00 H new ATOM 863 N THR A 58 4.325 2.694 6.409 1.00 0.00 N ATOM 864 CA THR A 58 3.383 2.803 7.510 1.00 0.00 C ATOM 865 C THR A 58 3.236 4.264 7.942 1.00 0.00 C ATOM 866 O THR A 58 3.665 5.171 7.231 1.00 0.00 O ATOM 867 CB THR A 58 3.861 1.882 8.635 1.00 0.00 C ATOM 868 OG1 THR A 58 5.234 2.224 8.804 1.00 0.00 O ATOM 869 CG2 THR A 58 3.892 0.412 8.213 1.00 0.00 C ATOM 0 H THR A 58 5.307 2.689 6.686 1.00 0.00 H new ATOM 0 HA THR A 58 2.385 2.482 7.210 1.00 0.00 H new ATOM 0 HB THR A 58 3.209 1.998 9.501 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.623 1.675 9.517 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.238 -0.199 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.890 0.096 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.570 0.290 7.368 1.00 0.00 H new ATOM 877 N ASN A 59 2.627 4.445 9.105 1.00 0.00 N ATOM 878 CA ASN A 59 2.418 5.779 9.640 1.00 0.00 C ATOM 879 C ASN A 59 3.555 6.121 10.605 1.00 0.00 C ATOM 880 O ASN A 59 3.332 6.765 11.629 1.00 0.00 O ATOM 881 CB ASN A 59 1.101 5.862 10.414 1.00 0.00 C ATOM 882 CG ASN A 59 -0.084 6.041 9.462 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.476 7.143 9.118 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.629 4.897 9.057 1.00 0.00 N ATOM 0 H ASN A 59 2.272 3.690 9.691 1.00 0.00 H new ATOM 0 HA ASN A 59 2.390 6.477 8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.964 4.956 11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.139 6.696 11.115 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.425 4.909 8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.251 4.008 9.384 1.00 0.00 H new ATOM 891 N ASP A 60 4.749 5.675 10.244 1.00 0.00 N ATOM 892 CA ASP A 60 5.921 5.926 11.065 1.00 0.00 C ATOM 893 C ASP A 60 7.149 6.072 10.163 1.00 0.00 C ATOM 894 O ASP A 60 8.281 5.924 10.620 1.00 0.00 O ATOM 895 CB ASP A 60 6.178 4.765 12.028 1.00 0.00 C ATOM 896 CG ASP A 60 5.846 5.054 13.493 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.243 6.121 13.738 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.201 4.201 14.335 1.00 0.00 O ATOM 0 H ASP A 60 4.930 5.141 9.394 1.00 0.00 H new ATOM 0 HA ASP A 60 5.743 6.837 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.593 3.905 11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.228 4.481 11.958 1.00 0.00 H new ATOM 903 N GLY A 61 6.882 6.362 8.898 1.00 0.00 N ATOM 904 CA GLY A 61 7.951 6.531 7.928 1.00 0.00 C ATOM 905 C GLY A 61 8.890 5.323 7.932 1.00 0.00 C ATOM 906 O GLY A 61 10.097 5.471 8.122 1.00 0.00 O ATOM 0 H GLY A 61 5.942 6.484 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.526 6.663 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.515 7.435 8.157 1.00 0.00 H new ATOM 910 N ILE A 62 8.302 4.155 7.720 1.00 0.00 N ATOM 911 CA ILE A 62 9.071 2.923 7.697 1.00 0.00 C ATOM 912 C ILE A 62 8.915 2.254 6.329 1.00 0.00 C ATOM 913 O ILE A 62 8.903 2.930 5.302 1.00 0.00 O ATOM 914 CB ILE A 62 8.677 2.023 8.870 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.241 2.856 10.077 1.00 0.00 C ATOM 916 CG2 ILE A 62 9.808 1.053 9.220 1.00 0.00 C ATOM 917 CD1 ILE A 62 7.957 1.962 11.286 1.00 0.00 C ATOM 0 H ILE A 62 7.301 4.036 7.563 1.00 0.00 H new ATOM 0 HA ILE A 62 10.132 3.134 7.830 1.00 0.00 H new ATOM 0 HB ILE A 62 7.820 1.422 8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.020 3.576 10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.348 3.428 9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.503 0.425 10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.029 0.425 8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.699 1.617 9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.649 2.579 12.130 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.161 1.260 11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.859 1.410 11.550 1.00 0.00 H new ATOM 929 N GLY A 63 8.798 0.935 6.361 1.00 0.00 N ATOM 930 CA GLY A 63 8.643 0.168 5.137 1.00 0.00 C ATOM 931 C GLY A 63 8.090 -1.228 5.432 1.00 0.00 C ATOM 932 O GLY A 63 8.693 -1.993 6.183 1.00 0.00 O ATOM 0 H GLY A 63 8.807 0.378 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.972 0.693 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.605 0.083 4.632 1.00 0.00 H new ATOM 936 N ILE A 64 6.949 -1.519 4.824 1.00 0.00 N ATOM 937 CA ILE A 64 6.309 -2.809 5.011 1.00 0.00 C ATOM 938 C ILE A 64 7.189 -3.904 4.404 1.00 0.00 C ATOM 939 O ILE A 64 7.869 -3.675 3.405 1.00 0.00 O ATOM 940 CB ILE A 64 4.884 -2.786 4.455 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.076 -1.638 5.062 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.196 -4.138 4.653 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.761 -1.432 4.307 1.00 0.00 C ATOM 0 H ILE A 64 6.452 -0.883 4.201 1.00 0.00 H new ATOM 0 HA ILE A 64 6.208 -3.033 6.073 1.00 0.00 H new ATOM 0 HB ILE A 64 4.940 -2.607 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.868 -1.850 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.663 -0.720 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.185 -4.094 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.761 -4.913 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.152 -4.371 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.207 -0.610 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.973 -1.196 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.165 -2.343 4.359 1.00 0.00 H new ATOM 955 N ASN A 65 7.147 -5.069 5.033 1.00 0.00 N ATOM 956 CA ASN A 65 7.932 -6.200 4.567 1.00 0.00 C ATOM 957 C ASN A 65 6.990 -7.322 4.125 1.00 0.00 C ATOM 958 O ASN A 65 6.375 -7.985 4.958 1.00 0.00 O ATOM 959 CB ASN A 65 8.827 -6.745 5.681 1.00 0.00 C ATOM 960 CG ASN A 65 10.152 -7.262 5.117 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.492 -7.046 3.965 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.879 -7.954 5.989 1.00 0.00 N ATOM 0 H ASN A 65 6.582 -5.255 5.861 1.00 0.00 H new ATOM 0 HA ASN A 65 8.554 -5.861 3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.021 -5.961 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.312 -7.550 6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.780 -8.341 5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.536 -8.098 6.939 1.00 0.00 H new ATOM 969 N PRO A 66 6.905 -7.504 2.780 1.00 0.00 N ATOM 970 CA PRO A 66 6.049 -8.535 2.217 1.00 0.00 C ATOM 971 C PRO A 66 6.667 -9.922 2.402 1.00 0.00 C ATOM 972 O PRO A 66 6.794 -10.682 1.442 1.00 0.00 O ATOM 973 CB PRO A 66 5.878 -8.150 0.757 1.00 0.00 C ATOM 974 CG PRO A 66 7.012 -7.187 0.444 1.00 0.00 C ATOM 975 CD PRO A 66 7.619 -6.738 1.763 1.00 0.00 C ATOM 0 HA PRO A 66 5.081 -8.597 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.923 -9.029 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.909 -7.680 0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.765 -7.673 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.641 -6.329 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.690 -6.939 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.492 -5.666 1.913 1.00 0.00 H new ATOM 983 N ALA A 67 7.035 -10.211 3.641 1.00 0.00 N ATOM 984 CA ALA A 67 7.636 -11.494 3.964 1.00 0.00 C ATOM 985 C ALA A 67 6.532 -12.506 4.277 1.00 0.00 C ATOM 986 O ALA A 67 6.726 -13.710 4.118 1.00 0.00 O ATOM 987 CB ALA A 67 8.616 -11.321 5.126 1.00 0.00 C ATOM 0 H ALA A 67 6.929 -9.578 4.434 1.00 0.00 H new ATOM 0 HA ALA A 67 8.202 -11.877 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.067 -12.283 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.397 -10.616 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.083 -10.940 5.997 1.00 0.00 H new ATOM 993 N GLN A 68 5.399 -11.979 4.716 1.00 0.00 N ATOM 994 CA GLN A 68 4.263 -12.822 5.053 1.00 0.00 C ATOM 995 C GLN A 68 3.057 -12.459 4.184 1.00 0.00 C ATOM 996 O GLN A 68 3.061 -11.432 3.508 1.00 0.00 O ATOM 997 CB GLN A 68 3.921 -12.711 6.540 1.00 0.00 C ATOM 998 CG GLN A 68 3.961 -11.254 7.005 1.00 0.00 C ATOM 999 CD GLN A 68 5.381 -10.843 7.400 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.174 -11.638 7.878 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.655 -9.562 7.176 1.00 0.00 N ATOM 0 H GLN A 68 5.242 -10.980 4.846 1.00 0.00 H new ATOM 0 HA GLN A 68 4.532 -13.859 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.930 -13.127 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.626 -13.302 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.599 -10.604 6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.291 -11.121 7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.944 -8.951 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.576 -9.190 7.407 1.00 0.00 H new ATOM 1010 N THR A 69 2.054 -13.324 4.230 1.00 0.00 N ATOM 1011 CA THR A 69 0.844 -13.108 3.455 1.00 0.00 C ATOM 1012 C THR A 69 0.298 -11.700 3.701 1.00 0.00 C ATOM 1013 O THR A 69 0.454 -11.151 4.790 1.00 0.00 O ATOM 1014 CB THR A 69 -0.149 -14.216 3.811 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.452 -13.983 5.184 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.494 -15.604 3.801 1.00 0.00 C ATOM 0 H THR A 69 2.055 -14.175 4.792 1.00 0.00 H new ATOM 0 HA THR A 69 1.044 -13.163 2.385 1.00 0.00 H new ATOM 0 HB THR A 69 -0.981 -14.197 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.092 -14.656 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.254 -16.353 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.889 -15.815 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.305 -15.634 4.528 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.332 -11.156 2.670 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.903 -9.823 2.760 1.00 0.00 C ATOM 1026 C ALA A 70 -1.709 -9.705 4.055 1.00 0.00 C ATOM 1027 O ALA A 70 -1.558 -8.736 4.798 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.751 -9.546 1.518 1.00 0.00 C ATOM 0 H ALA A 70 -0.460 -11.614 1.768 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.116 -9.069 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.179 -8.546 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.125 -9.613 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.553 -10.281 1.454 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.548 -10.704 4.285 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.378 -10.724 5.478 1.00 0.00 C ATOM 1036 C GLY A 71 -2.521 -10.669 6.744 1.00 0.00 C ATOM 1037 O GLY A 71 -2.997 -10.262 7.803 1.00 0.00 O ATOM 0 H GLY A 71 -2.671 -11.505 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.064 -9.877 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.987 -11.628 5.486 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.272 -11.084 6.593 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.344 -11.087 7.711 1.00 0.00 C ATOM 1043 C ASN A 72 0.481 -9.799 7.687 1.00 0.00 C ATOM 1044 O ASN A 72 1.114 -9.444 8.680 1.00 0.00 O ATOM 1045 CB ASN A 72 0.622 -12.270 7.621 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.040 -13.558 8.115 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.104 -13.550 8.711 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.647 -14.661 7.834 1.00 0.00 N ATOM 0 H ASN A 72 -0.881 -11.421 5.713 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.924 -11.164 8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.950 -12.398 6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.512 -12.063 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.289 -15.572 8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.532 -14.596 7.331 1.00 0.00 H new ATOM 1055 N VAL A 73 0.447 -9.134 6.541 1.00 0.00 N ATOM 1056 CA VAL A 73 1.184 -7.893 6.374 1.00 0.00 C ATOM 1057 C VAL A 73 0.277 -6.714 6.731 1.00 0.00 C ATOM 1058 O VAL A 73 0.686 -5.808 7.455 1.00 0.00 O ATOM 1059 CB VAL A 73 1.748 -7.806 4.955 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.402 -6.445 4.707 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.733 -8.945 4.685 1.00 0.00 C ATOM 0 H VAL A 73 -0.079 -9.431 5.719 1.00 0.00 H new ATOM 0 HA VAL A 73 2.038 -7.862 7.051 1.00 0.00 H new ATOM 0 HB VAL A 73 0.917 -7.910 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.795 -6.410 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.661 -5.656 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.217 -6.298 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.119 -8.859 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.560 -8.887 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.223 -9.902 4.800 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.938 -6.764 6.205 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.907 -5.711 6.458 1.00 0.00 C ATOM 1073 C PHE A 74 -2.405 -5.760 7.905 1.00 0.00 C ATOM 1074 O PHE A 74 -3.070 -4.835 8.368 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.089 -5.954 5.517 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.289 -6.629 6.186 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.139 -7.836 6.793 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.505 -6.020 6.172 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.252 -8.461 7.414 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.618 -6.646 6.793 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.469 -7.853 7.400 1.00 0.00 C ATOM 0 H PHE A 74 -1.274 -7.517 5.605 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.448 -4.736 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.409 -5.000 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.755 -6.572 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.173 -8.319 6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.624 -5.061 5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.133 -9.419 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.584 -6.163 6.783 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.316 -8.329 7.871 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.062 -6.849 8.578 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.466 -7.031 9.962 1.00 0.00 C ATOM 1093 C LEU A 75 -1.376 -6.479 10.883 1.00 0.00 C ATOM 1094 O LEU A 75 -1.671 -5.775 11.847 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.814 -8.497 10.230 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.522 -8.786 11.555 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.033 -8.917 11.352 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.926 -10.018 12.238 1.00 0.00 C ATOM 0 H LEU A 75 -1.509 -7.614 8.191 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.376 -6.468 10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.446 -8.854 9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.894 -9.080 10.198 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.359 -7.939 12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.512 -9.122 12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.427 -7.987 10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.238 -9.735 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.447 -10.201 13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.037 -10.885 11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.868 -9.847 12.437 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.138 -6.821 10.553 1.00 0.00 N ATOM 1111 CA LYS A 76 0.997 -6.368 11.339 1.00 0.00 C ATOM 1112 C LYS A 76 1.254 -4.888 11.051 1.00 0.00 C ATOM 1113 O LYS A 76 1.781 -4.169 11.898 1.00 0.00 O ATOM 1114 CB LYS A 76 2.213 -7.263 11.088 1.00 0.00 C ATOM 1115 CG LYS A 76 2.816 -6.995 9.708 1.00 0.00 C ATOM 1116 CD LYS A 76 4.345 -6.997 9.768 1.00 0.00 C ATOM 1117 CE LYS A 76 4.861 -8.211 10.544 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.344 -7.803 11.882 1.00 0.00 N ATOM 0 H LYS A 76 0.103 -7.406 9.753 1.00 0.00 H new ATOM 0 HA LYS A 76 0.781 -6.453 12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.964 -7.086 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.920 -8.310 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.475 -7.755 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.464 -6.033 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.752 -7.007 8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.695 -6.081 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.066 -8.949 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.669 -8.688 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.381 -7.872 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.057 -6.821 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.934 -8.428 12.605 1.00 0.00 H new ATOM 1132 N HIS A 77 0.869 -4.476 9.852 1.00 0.00 N ATOM 1133 CA HIS A 77 1.050 -3.094 9.441 1.00 0.00 C ATOM 1134 C HIS A 77 -0.282 -2.349 9.542 1.00 0.00 C ATOM 1135 O HIS A 77 -0.358 -1.284 10.153 1.00 0.00 O ATOM 1136 CB HIS A 77 1.667 -3.019 8.043 1.00 0.00 C ATOM 1137 CG HIS A 77 3.070 -3.571 7.961 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.188 -2.835 8.316 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.525 -4.793 7.562 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.261 -3.590 8.134 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.849 -4.803 7.666 1.00 0.00 N ATOM 0 H HIS A 77 0.432 -5.075 9.152 1.00 0.00 H new ATOM 0 HA HIS A 77 1.753 -2.601 10.112 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.031 -3.566 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.677 -1.979 7.717 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.912 -5.614 7.219 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.283 -3.297 8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.457 -5.588 7.434 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.301 -2.939 8.932 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.626 -2.345 8.945 1.00 0.00 C ATOM 1151 C GLY A 78 -3.160 -2.163 7.523 1.00 0.00 C ATOM 1152 O GLY A 78 -2.457 -2.440 6.552 1.00 0.00 O ATOM 0 H GLY A 78 -1.234 -3.822 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.307 -2.978 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.591 -1.380 9.450 1.00 0.00 H new ATOM 1156 N SER A 79 -4.398 -1.698 7.445 1.00 0.00 N ATOM 1157 CA SER A 79 -5.034 -1.476 6.157 1.00 0.00 C ATOM 1158 C SER A 79 -4.781 -0.041 5.689 1.00 0.00 C ATOM 1159 O SER A 79 -4.652 0.212 4.493 1.00 0.00 O ATOM 1160 CB SER A 79 -6.537 -1.753 6.229 1.00 0.00 C ATOM 1161 OG SER A 79 -7.286 -0.851 5.420 1.00 0.00 O ATOM 0 H SER A 79 -4.978 -1.469 8.252 1.00 0.00 H new ATOM 0 HA SER A 79 -4.599 -2.169 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.733 -2.776 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.871 -1.674 7.264 1.00 0.00 H new ATOM 0 HG SER A 79 -8.240 -1.062 5.492 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.718 0.861 6.658 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.484 2.264 6.361 1.00 0.00 C ATOM 1169 C GLU A 80 -2.985 2.531 6.209 1.00 0.00 C ATOM 1170 O GLU A 80 -2.256 2.575 7.199 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.094 3.162 7.438 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.621 3.172 7.342 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.222 4.229 8.271 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.222 3.975 9.495 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.667 5.268 7.737 1.00 0.00 O ATOM 0 H GLU A 80 -4.825 0.647 7.650 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.974 2.502 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.790 2.811 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.712 4.177 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.923 3.372 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.012 2.189 7.603 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.569 2.701 4.963 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.170 2.962 4.669 1.00 0.00 C ATOM 1184 C LEU A 81 -1.074 4.013 3.561 1.00 0.00 C ATOM 1185 O LEU A 81 -2.064 4.310 2.895 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.438 1.658 4.346 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.872 0.429 5.147 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.735 -0.846 4.313 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.103 0.336 6.467 1.00 0.00 C ATOM 0 H LEU A 81 -3.177 2.663 4.145 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.667 3.374 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.572 1.442 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.629 1.814 4.507 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.928 0.539 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.050 -1.704 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.362 -0.769 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.305 -0.974 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.430 -0.546 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.965 0.260 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.295 1.228 7.064 1.00 0.00 H new ATOM 1201 N ARG A 82 0.128 4.546 3.398 1.00 0.00 N ATOM 1202 CA ARG A 82 0.367 5.557 2.382 1.00 0.00 C ATOM 1203 C ARG A 82 1.410 5.064 1.377 1.00 0.00 C ATOM 1204 O ARG A 82 2.432 4.500 1.765 1.00 0.00 O ATOM 1205 CB ARG A 82 0.851 6.865 3.010 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.220 7.466 3.922 1.00 0.00 C ATOM 1207 CD ARG A 82 0.415 8.253 5.070 1.00 0.00 C ATOM 1208 NE ARG A 82 1.248 9.351 4.531 1.00 0.00 N ATOM 1209 CZ ARG A 82 0.756 10.504 4.057 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -0.567 10.716 4.052 1.00 0.00 N ATOM 1211 NH2 ARG A 82 1.586 11.444 3.587 1.00 0.00 N ATOM 0 H ARG A 82 0.947 4.297 3.953 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.577 5.741 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.760 6.683 3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.106 7.577 2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.870 8.122 3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.847 6.671 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.362 8.659 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.025 7.590 5.683 1.00 0.00 H new ATOM 0 HE ARG A 82 2.260 9.222 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.200 10.000 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.942 11.594 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.593 11.283 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.211 12.321 3.226 1.00 0.00 H new ATOM 1225 N ILE A 83 1.116 5.295 0.106 1.00 0.00 N ATOM 1226 CA ILE A 83 2.016 4.881 -0.957 1.00 0.00 C ATOM 1227 C ILE A 83 2.893 6.066 -1.366 1.00 0.00 C ATOM 1228 O ILE A 83 2.384 7.138 -1.688 1.00 0.00 O ATOM 1229 CB ILE A 83 1.229 4.269 -2.117 1.00 0.00 C ATOM 1230 CG1 ILE A 83 2.145 3.451 -3.030 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.464 5.345 -2.889 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.331 2.639 -4.039 1.00 0.00 C ATOM 0 H ILE A 83 0.267 5.763 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 83 2.685 4.095 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 83 0.490 3.583 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.826 4.118 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.759 2.780 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.087 4.883 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.235 5.846 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.168 6.074 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.006 2.067 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.669 1.956 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.737 3.314 -4.655 1.00 0.00 H new ATOM 1244 N ILE A 84 4.197 5.832 -1.341 1.00 0.00 N ATOM 1245 CA ILE A 84 5.150 6.867 -1.706 1.00 0.00 C ATOM 1246 C ILE A 84 6.001 6.379 -2.880 1.00 0.00 C ATOM 1247 O ILE A 84 6.139 5.176 -3.094 1.00 0.00 O ATOM 1248 CB ILE A 84 5.970 7.294 -0.487 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.921 6.178 -0.048 1.00 0.00 C ATOM 1250 CG2 ILE A 84 5.060 7.753 0.654 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.320 6.388 -0.632 1.00 0.00 C ATOM 0 H ILE A 84 4.616 4.941 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 84 4.629 7.764 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 84 6.584 8.148 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.978 6.151 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.529 5.213 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.669 8.051 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.460 8.601 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.402 6.935 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.976 5.581 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.263 6.390 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.719 7.342 -0.287 1.00 0.00 H new ATOM 1263 N PRO A 85 6.565 7.365 -3.629 1.00 0.00 N ATOM 1264 CA PRO A 85 7.399 7.048 -4.776 1.00 0.00 C ATOM 1265 C PRO A 85 8.776 6.550 -4.332 1.00 0.00 C ATOM 1266 O PRO A 85 9.469 7.225 -3.572 1.00 0.00 O ATOM 1267 CB PRO A 85 7.464 8.335 -5.582 1.00 0.00 C ATOM 1268 CG PRO A 85 7.055 9.445 -4.629 1.00 0.00 C ATOM 1269 CD PRO A 85 6.424 8.800 -3.406 1.00 0.00 C ATOM 0 HA PRO A 85 6.994 6.236 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.469 8.503 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.795 8.292 -6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.922 10.041 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.349 10.121 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.928 9.110 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.376 9.084 -3.305 1.00 0.00 H new ATOM 1277 N ARG A 86 9.132 5.374 -4.826 1.00 0.00 N ATOM 1278 CA ARG A 86 10.414 4.778 -4.489 1.00 0.00 C ATOM 1279 C ARG A 86 11.507 5.849 -4.464 1.00 0.00 C ATOM 1280 O ARG A 86 11.469 6.797 -5.247 1.00 0.00 O ATOM 1281 CB ARG A 86 10.797 3.691 -5.496 1.00 0.00 C ATOM 1282 CG ARG A 86 10.489 2.298 -4.943 1.00 0.00 C ATOM 1283 CD ARG A 86 11.543 1.868 -3.921 1.00 0.00 C ATOM 1284 NE ARG A 86 10.978 0.849 -3.008 1.00 0.00 N ATOM 1285 CZ ARG A 86 11.679 0.224 -2.053 1.00 0.00 C ATOM 1286 NH1 ARG A 86 12.977 0.510 -1.880 1.00 0.00 N ATOM 1287 NH2 ARG A 86 11.083 -0.686 -1.271 1.00 0.00 N ATOM 0 H ARG A 86 8.555 4.817 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 86 10.321 4.326 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.252 3.845 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.859 3.766 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.504 2.298 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.455 1.578 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.416 1.464 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.881 2.732 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 86 9.993 0.608 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.430 1.203 -2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.512 0.034 -1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.095 -0.903 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.617 -1.162 -0.544 1.00 0.00 H new