USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 619 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 49 TYR OH : rot 74:sc= 0.413 USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -0.0111 F(o=-0.15,f=0.42) USER MOD Set 1.3: A 66 THR OG1 : rot 180:sc= 0.0221 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0.0742 USER MOD Single : A 4 SER OG : rot 32:sc= -0.833 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0.918 (180deg=0.874) USER MOD Single : A 11 THR OG1 : rot -15:sc= -0.557 USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.318 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= 0.068 (180deg=-0.88) USER MOD Single : A 26 THR OG1 : rot 169:sc= 0.0216 USER MOD Single : A 31 MET CE :methyl -160:sc= -0.398 (180deg=-0.971) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.502 (180deg=0.354) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 0.948 (180deg=0.58) USER MOD Single : A 37 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.031) USER MOD Single : A 38 THR OG1 : rot -22:sc= -0.138 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.206 F(o=-1.3,f=-0.21) USER MOD Single : A 50 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.55) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0277) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0397 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.997 -3.533 -1.960 1.00 0.00 N ATOM 29 CA SER A 4 -3.964 -2.449 -2.120 1.00 0.00 C ATOM 30 C SER A 4 -3.519 -1.518 -3.271 1.00 0.00 C ATOM 31 O SER A 4 -2.494 -1.763 -3.919 1.00 0.00 O ATOM 32 CB SER A 4 -4.076 -1.672 -0.795 1.00 0.00 C ATOM 33 OG SER A 4 -4.444 -2.525 0.276 1.00 0.00 O ATOM 0 HA SER A 4 -4.943 -2.857 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.123 -1.194 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.814 -0.877 -0.899 1.00 0.00 H new ATOM 0 HG SER A 4 -4.072 -3.419 0.125 1.00 0.00 H new ATOM 39 N LEU A 5 -4.289 -0.438 -3.499 1.00 0.00 N ATOM 40 CA LEU A 5 -4.065 0.503 -4.608 1.00 0.00 C ATOM 41 C LEU A 5 -4.743 1.858 -4.304 1.00 0.00 C ATOM 42 O LEU A 5 -5.873 1.902 -3.810 1.00 0.00 O ATOM 43 CB LEU A 5 -4.538 -0.134 -5.964 1.00 0.00 C ATOM 44 CG LEU A 5 -5.890 -0.941 -5.975 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.135 -0.031 -6.056 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.889 -1.985 -7.109 1.00 0.00 C ATOM 0 H LEU A 5 -5.088 -0.194 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.999 0.704 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.623 0.668 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.749 -0.801 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.955 -1.461 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.035 -0.646 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.155 0.636 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.095 0.560 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.831 -2.533 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.771 -1.480 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.063 -2.681 -6.962 1.00 0.00 H new ATOM 58 N GLU A 6 -4.030 2.958 -4.599 1.00 0.00 N ATOM 59 CA GLU A 6 -4.470 4.322 -4.255 1.00 0.00 C ATOM 60 C GLU A 6 -5.207 4.960 -5.449 1.00 0.00 C ATOM 61 O GLU A 6 -4.585 5.300 -6.457 1.00 0.00 O ATOM 62 CB GLU A 6 -3.256 5.193 -3.846 1.00 0.00 C ATOM 63 CG GLU A 6 -3.638 6.634 -3.447 1.00 0.00 C ATOM 64 CD GLU A 6 -2.427 7.552 -3.254 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.845 7.992 -4.267 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.049 7.842 -2.101 1.00 0.00 O ATOM 0 H GLU A 6 -3.132 2.927 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.156 4.264 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.743 4.717 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.549 5.229 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.286 7.056 -4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.215 6.607 -2.523 1.00 0.00 H new ATOM 73 N ILE A 7 -6.527 5.100 -5.327 1.00 0.00 N ATOM 74 CA ILE A 7 -7.390 5.704 -6.368 1.00 0.00 C ATOM 75 C ILE A 7 -7.903 7.087 -5.917 1.00 0.00 C ATOM 76 O ILE A 7 -7.652 7.516 -4.785 1.00 0.00 O ATOM 77 CB ILE A 7 -8.604 4.762 -6.681 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.500 4.560 -5.406 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.097 3.402 -7.231 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.793 3.814 -5.651 1.00 0.00 C ATOM 0 H ILE A 7 -7.041 4.798 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.795 5.831 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.222 5.233 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.923 4.021 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.735 5.538 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.948 2.756 -7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.529 3.569 -8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.457 2.925 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.344 3.723 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.397 4.361 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.572 2.820 -6.040 1.00 0.00 H new ATOM 92 N LYS A 8 -8.636 7.765 -6.819 1.00 0.00 N ATOM 93 CA LYS A 8 -9.269 9.072 -6.549 1.00 0.00 C ATOM 94 C LYS A 8 -10.766 9.005 -6.866 1.00 0.00 C ATOM 95 O LYS A 8 -11.171 8.267 -7.762 1.00 0.00 O ATOM 96 CB LYS A 8 -8.592 10.198 -7.379 1.00 0.00 C ATOM 97 CG LYS A 8 -7.083 10.437 -7.038 1.00 0.00 C ATOM 98 CD LYS A 8 -6.121 10.043 -8.184 1.00 0.00 C ATOM 99 CE LYS A 8 -6.283 10.957 -9.419 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.376 10.574 -10.529 1.00 0.00 N ATOM 0 H LYS A 8 -8.808 7.420 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.140 9.305 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.678 9.954 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.139 11.128 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.936 11.490 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.826 9.866 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.092 10.095 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.306 9.008 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.315 10.915 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.085 11.990 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.614 11.125 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.392 10.768 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.485 9.560 -10.733 1.00 0.00 H new ATOM 114 N ILE A 9 -11.594 9.760 -6.096 1.00 0.00 N ATOM 115 CA ILE A 9 -13.063 9.813 -6.297 1.00 0.00 C ATOM 116 C ILE A 9 -13.532 11.287 -6.334 1.00 0.00 C ATOM 117 O ILE A 9 -13.736 11.906 -5.288 1.00 0.00 O ATOM 118 CB ILE A 9 -13.913 9.036 -5.189 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.459 7.537 -4.997 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.433 9.090 -5.528 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.219 7.338 -4.138 1.00 0.00 C ATOM 0 H ILE A 9 -11.264 10.343 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.246 9.306 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.727 9.549 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.283 6.979 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.274 7.102 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.996 8.556 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.762 10.129 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.606 8.623 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.991 6.274 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.376 7.861 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.400 7.736 -3.140 1.00 0.00 H new ATOM 133 N ARG A 10 -13.643 11.847 -7.543 1.00 0.00 N ATOM 134 CA ARG A 10 -14.299 13.143 -7.780 1.00 0.00 C ATOM 135 C ARG A 10 -15.805 13.044 -7.447 1.00 0.00 C ATOM 136 O ARG A 10 -16.483 12.141 -7.924 1.00 0.00 O ATOM 137 CB ARG A 10 -14.093 13.576 -9.249 1.00 0.00 C ATOM 138 CG ARG A 10 -14.680 14.966 -9.613 1.00 0.00 C ATOM 139 CD ARG A 10 -14.403 15.344 -11.073 1.00 0.00 C ATOM 140 NE ARG A 10 -12.955 15.406 -11.348 1.00 0.00 N ATOM 141 CZ ARG A 10 -12.347 14.916 -12.434 1.00 0.00 C ATOM 142 NH1 ARG A 10 -13.028 14.271 -13.376 1.00 0.00 N ATOM 143 NH2 ARG A 10 -11.042 15.066 -12.574 1.00 0.00 N ATOM 0 H ARG A 10 -13.279 11.414 -8.392 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.851 13.895 -7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.024 13.582 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.544 12.827 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.756 14.962 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.253 15.723 -8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.869 14.614 -11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.858 16.310 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.367 15.862 -10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.035 14.141 -13.279 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.543 13.906 -14.196 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.505 15.553 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.572 14.695 -13.400 1.00 0.00 H new ATOM 157 N THR A 11 -16.308 13.957 -6.606 1.00 0.00 N ATOM 158 CA THR A 11 -17.693 13.927 -6.116 1.00 0.00 C ATOM 159 C THR A 11 -18.615 14.882 -6.903 1.00 0.00 C ATOM 160 O THR A 11 -18.151 15.656 -7.753 1.00 0.00 O ATOM 161 CB THR A 11 -17.701 14.314 -4.606 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.284 15.678 -4.456 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.757 13.420 -3.788 1.00 0.00 C ATOM 0 H THR A 11 -15.764 14.740 -6.245 1.00 0.00 H new ATOM 0 HA THR A 11 -18.080 12.918 -6.258 1.00 0.00 H new ATOM 0 HB THR A 11 -18.717 14.179 -4.236 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.863 15.984 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.789 13.719 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.072 12.380 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.739 13.525 -4.164 1.00 0.00 H new ATOM 171 N THR A 12 -19.930 14.825 -6.590 1.00 0.00 N ATOM 172 CA THR A 12 -20.928 15.821 -7.057 1.00 0.00 C ATOM 173 C THR A 12 -20.656 17.217 -6.444 1.00 0.00 C ATOM 174 O THR A 12 -21.176 18.223 -6.930 1.00 0.00 O ATOM 175 CB THR A 12 -22.387 15.364 -6.697 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.397 14.781 -5.383 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.958 14.364 -7.713 1.00 0.00 C ATOM 0 H THR A 12 -20.331 14.090 -6.008 1.00 0.00 H new ATOM 0 HA THR A 12 -20.834 15.890 -8.141 1.00 0.00 H new ATOM 0 HB THR A 12 -23.023 16.249 -6.724 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.276 15.485 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.968 14.081 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.985 14.824 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.327 13.476 -7.744 1.00 0.00 H new ATOM 185 N GLU A 13 -19.835 17.249 -5.378 1.00 0.00 N ATOM 186 CA GLU A 13 -19.423 18.493 -4.699 1.00 0.00 C ATOM 187 C GLU A 13 -18.325 19.216 -5.521 1.00 0.00 C ATOM 188 O GLU A 13 -18.012 20.372 -5.256 1.00 0.00 O ATOM 189 CB GLU A 13 -18.911 18.179 -3.254 1.00 0.00 C ATOM 190 CG GLU A 13 -19.743 17.126 -2.473 1.00 0.00 C ATOM 191 CD GLU A 13 -21.252 17.430 -2.430 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.645 18.435 -1.802 1.00 0.00 O ATOM 193 OE2 GLU A 13 -22.049 16.671 -3.027 1.00 0.00 O ATOM 0 H GLU A 13 -19.436 16.408 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.287 19.153 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.881 17.829 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.898 19.106 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.592 16.147 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.366 17.064 -1.452 1.00 0.00 H new ATOM 200 N GLY A 14 -17.729 18.496 -6.501 1.00 0.00 N ATOM 201 CA GLY A 14 -16.710 19.059 -7.398 1.00 0.00 C ATOM 202 C GLY A 14 -15.285 18.880 -6.886 1.00 0.00 C ATOM 203 O GLY A 14 -14.332 19.333 -7.530 1.00 0.00 O ATOM 0 H GLY A 14 -17.944 17.516 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.798 18.587 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.907 20.122 -7.537 1.00 0.00 H new ATOM 207 N ARG A 15 -15.137 18.231 -5.713 1.00 0.00 N ATOM 208 CA ARG A 15 -13.822 17.952 -5.099 1.00 0.00 C ATOM 209 C ARG A 15 -13.360 16.544 -5.503 1.00 0.00 C ATOM 210 O ARG A 15 -14.192 15.660 -5.696 1.00 0.00 O ATOM 211 CB ARG A 15 -13.917 18.054 -3.549 1.00 0.00 C ATOM 212 CG ARG A 15 -14.802 16.973 -2.887 1.00 0.00 C ATOM 213 CD ARG A 15 -14.823 17.060 -1.361 1.00 0.00 C ATOM 214 NE ARG A 15 -13.472 16.977 -0.764 1.00 0.00 N ATOM 215 CZ ARG A 15 -13.066 17.640 0.330 1.00 0.00 C ATOM 216 NH1 ARG A 15 -13.848 18.536 0.921 1.00 0.00 N ATOM 217 NH2 ARG A 15 -11.858 17.417 0.816 1.00 0.00 N ATOM 0 H ARG A 15 -15.925 17.886 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.100 18.688 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.912 17.989 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.308 19.037 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.821 17.067 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.442 15.988 -3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.291 17.998 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.441 16.255 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.794 16.367 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.776 18.731 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.521 19.029 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.241 16.745 0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.542 17.917 1.647 1.00 0.00 H new ATOM 231 N THR A 16 -12.043 16.336 -5.628 1.00 0.00 N ATOM 232 CA THR A 16 -11.470 15.012 -5.913 1.00 0.00 C ATOM 233 C THR A 16 -10.830 14.440 -4.628 1.00 0.00 C ATOM 234 O THR A 16 -9.929 15.052 -4.038 1.00 0.00 O ATOM 235 CB THR A 16 -10.432 15.086 -7.088 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.061 15.674 -8.240 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.885 13.698 -7.475 1.00 0.00 C ATOM 0 H THR A 16 -11.347 17.076 -5.535 1.00 0.00 H new ATOM 0 HA THR A 16 -12.267 14.341 -6.235 1.00 0.00 H new ATOM 0 HB THR A 16 -9.594 15.693 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.415 15.724 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.171 13.803 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.388 13.250 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.708 13.058 -7.793 1.00 0.00 H new ATOM 245 N LEU A 17 -11.339 13.274 -4.191 1.00 0.00 N ATOM 246 CA LEU A 17 -10.861 12.555 -2.993 1.00 0.00 C ATOM 247 C LEU A 17 -9.695 11.655 -3.397 1.00 0.00 C ATOM 248 O LEU A 17 -9.476 11.447 -4.586 1.00 0.00 O ATOM 249 CB LEU A 17 -12.007 11.701 -2.381 1.00 0.00 C ATOM 250 CG LEU A 17 -13.365 12.445 -2.157 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.477 11.461 -1.751 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.230 13.590 -1.128 1.00 0.00 C ATOM 0 H LEU A 17 -12.105 12.797 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.533 13.273 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.186 10.846 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.669 11.306 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.647 12.897 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.409 12.006 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.612 10.720 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.198 10.959 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.195 14.081 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.902 13.183 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.498 14.315 -1.484 1.00 0.00 H new ATOM 264 N THR A 18 -8.932 11.142 -2.425 1.00 0.00 N ATOM 265 CA THR A 18 -7.846 10.178 -2.698 1.00 0.00 C ATOM 266 C THR A 18 -7.803 9.120 -1.573 1.00 0.00 C ATOM 267 O THR A 18 -7.391 9.428 -0.452 1.00 0.00 O ATOM 268 CB THR A 18 -6.456 10.903 -2.830 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.535 11.933 -3.835 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.322 9.931 -3.207 1.00 0.00 C ATOM 0 H THR A 18 -9.043 11.376 -1.438 1.00 0.00 H new ATOM 0 HA THR A 18 -8.048 9.686 -3.649 1.00 0.00 H new ATOM 0 HB THR A 18 -6.226 11.332 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.667 12.382 -3.912 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.384 10.480 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.230 9.164 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.549 9.461 -4.164 1.00 0.00 H new ATOM 278 N VAL A 19 -8.270 7.881 -1.862 1.00 0.00 N ATOM 279 CA VAL A 19 -8.297 6.772 -0.871 1.00 0.00 C ATOM 280 C VAL A 19 -7.551 5.548 -1.423 1.00 0.00 C ATOM 281 O VAL A 19 -7.417 5.395 -2.638 1.00 0.00 O ATOM 282 CB VAL A 19 -9.772 6.352 -0.454 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.616 7.582 -0.024 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.499 5.532 -1.564 1.00 0.00 C ATOM 0 H VAL A 19 -8.636 7.622 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.799 7.142 0.025 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.671 5.694 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.618 7.256 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.143 8.068 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.681 8.287 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.502 5.272 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.566 6.130 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.938 4.621 -1.770 1.00 0.00 H new ATOM 294 N ASP A 20 -7.074 4.678 -0.521 1.00 0.00 N ATOM 295 CA ASP A 20 -6.462 3.388 -0.895 1.00 0.00 C ATOM 296 C ASP A 20 -7.409 2.233 -0.517 1.00 0.00 C ATOM 297 O ASP A 20 -7.980 2.226 0.574 1.00 0.00 O ATOM 298 CB ASP A 20 -5.060 3.215 -0.244 1.00 0.00 C ATOM 299 CG ASP A 20 -5.086 3.221 1.298 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.972 4.309 1.902 1.00 0.00 O ATOM 301 OD2 ASP A 20 -5.233 2.139 1.912 1.00 0.00 O ATOM 0 H ASP A 20 -7.100 4.845 0.485 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.311 3.373 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.623 2.277 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.407 4.016 -0.590 1.00 0.00 H new ATOM 306 N VAL A 21 -7.584 1.283 -1.447 1.00 0.00 N ATOM 307 CA VAL A 21 -8.469 0.101 -1.307 1.00 0.00 C ATOM 308 C VAL A 21 -7.832 -1.108 -2.016 1.00 0.00 C ATOM 309 O VAL A 21 -6.910 -0.945 -2.806 1.00 0.00 O ATOM 310 CB VAL A 21 -9.898 0.365 -1.925 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.767 1.294 -1.033 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.761 0.933 -3.368 1.00 0.00 C ATOM 0 H VAL A 21 -7.103 1.310 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.588 -0.100 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.419 -0.591 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.739 1.444 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.904 0.835 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.269 2.256 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.752 1.111 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.206 1.870 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.229 0.215 -3.992 1.00 0.00 H new ATOM 322 N LYS A 22 -8.343 -2.315 -1.744 1.00 0.00 N ATOM 323 CA LYS A 22 -7.813 -3.562 -2.338 1.00 0.00 C ATOM 324 C LYS A 22 -8.662 -3.973 -3.565 1.00 0.00 C ATOM 325 O LYS A 22 -9.870 -3.748 -3.550 1.00 0.00 O ATOM 326 CB LYS A 22 -7.815 -4.683 -1.269 1.00 0.00 C ATOM 327 CG LYS A 22 -7.158 -4.296 0.074 1.00 0.00 C ATOM 328 CD LYS A 22 -7.091 -5.471 1.093 1.00 0.00 C ATOM 329 CE LYS A 22 -5.866 -6.397 0.903 1.00 0.00 C ATOM 330 NZ LYS A 22 -5.800 -7.032 -0.441 1.00 0.00 N ATOM 0 H LYS A 22 -9.130 -2.461 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.790 -3.397 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.845 -4.984 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.298 -5.553 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.148 -3.932 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.716 -3.472 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.072 -5.062 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.000 -6.066 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.956 -5.820 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.890 -7.178 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.199 -7.879 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.757 -7.303 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.398 -6.358 -1.124 1.00 0.00 H new ATOM 344 N PRO A 23 -8.056 -4.612 -4.632 1.00 0.00 N ATOM 345 CA PRO A 23 -8.799 -5.010 -5.869 1.00 0.00 C ATOM 346 C PRO A 23 -9.862 -6.113 -5.618 1.00 0.00 C ATOM 347 O PRO A 23 -10.808 -6.260 -6.397 1.00 0.00 O ATOM 348 CB PRO A 23 -7.668 -5.505 -6.819 1.00 0.00 C ATOM 349 CG PRO A 23 -6.570 -5.951 -5.893 1.00 0.00 C ATOM 350 CD PRO A 23 -6.617 -4.995 -4.720 1.00 0.00 C ATOM 0 HA PRO A 23 -9.381 -4.184 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.011 -6.323 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.330 -4.709 -7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.725 -6.980 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.600 -5.916 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.273 -5.471 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.981 -4.126 -4.886 1.00 0.00 H new ATOM 358 N ASP A 24 -9.685 -6.865 -4.516 1.00 0.00 N ATOM 359 CA ASP A 24 -10.625 -7.921 -4.081 1.00 0.00 C ATOM 360 C ASP A 24 -11.893 -7.344 -3.419 1.00 0.00 C ATOM 361 O ASP A 24 -12.867 -8.074 -3.225 1.00 0.00 O ATOM 362 CB ASP A 24 -9.913 -8.901 -3.108 1.00 0.00 C ATOM 363 CG ASP A 24 -9.241 -8.197 -1.914 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.050 -7.843 -2.026 1.00 0.00 O ATOM 365 OD2 ASP A 24 -9.899 -7.981 -0.870 1.00 0.00 O ATOM 0 H ASP A 24 -8.881 -6.758 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.944 -8.458 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.640 -9.621 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.160 -9.465 -3.659 1.00 0.00 H new ATOM 370 N ARG A 25 -11.869 -6.039 -3.079 1.00 0.00 N ATOM 371 CA ARG A 25 -12.998 -5.347 -2.418 1.00 0.00 C ATOM 372 C ARG A 25 -14.115 -5.029 -3.419 1.00 0.00 C ATOM 373 O ARG A 25 -13.883 -4.998 -4.623 1.00 0.00 O ATOM 374 CB ARG A 25 -12.494 -4.048 -1.729 1.00 0.00 C ATOM 375 CG ARG A 25 -11.477 -4.283 -0.584 1.00 0.00 C ATOM 376 CD ARG A 25 -12.083 -5.063 0.590 1.00 0.00 C ATOM 377 NE ARG A 25 -11.081 -5.362 1.635 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.115 -4.911 2.899 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.052 -4.063 3.302 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.195 -5.310 3.766 1.00 0.00 N ATOM 0 H ARG A 25 -11.067 -5.434 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.412 -6.012 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.034 -3.407 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.352 -3.506 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.617 -4.828 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.110 -3.321 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.899 -4.486 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.512 -5.995 0.222 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.298 -5.961 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.765 -3.741 2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.060 -3.733 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.464 -5.958 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.218 -4.969 4.727 1.00 0.00 H new ATOM 394 N THR A 26 -15.330 -4.803 -2.905 1.00 0.00 N ATOM 395 CA THR A 26 -16.500 -4.433 -3.719 1.00 0.00 C ATOM 396 C THR A 26 -16.629 -2.907 -3.809 1.00 0.00 C ATOM 397 O THR A 26 -15.950 -2.171 -3.077 1.00 0.00 O ATOM 398 CB THR A 26 -17.810 -5.044 -3.130 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.938 -4.661 -1.758 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.840 -6.579 -3.246 1.00 0.00 C ATOM 0 H THR A 26 -15.533 -4.871 -1.908 1.00 0.00 H new ATOM 0 HA THR A 26 -16.352 -4.837 -4.720 1.00 0.00 H new ATOM 0 HB THR A 26 -18.647 -4.657 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.836 -4.888 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.770 -6.958 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.775 -6.866 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.995 -7.002 -2.702 1.00 0.00 H new ATOM 408 N ILE A 27 -17.499 -2.431 -4.718 1.00 0.00 N ATOM 409 CA ILE A 27 -17.750 -0.990 -4.913 1.00 0.00 C ATOM 410 C ILE A 27 -18.421 -0.395 -3.653 1.00 0.00 C ATOM 411 O ILE A 27 -18.270 0.791 -3.384 1.00 0.00 O ATOM 412 CB ILE A 27 -18.621 -0.720 -6.207 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.951 -1.339 -7.469 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.916 0.792 -6.431 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.590 -0.768 -7.822 1.00 0.00 C ATOM 0 H ILE A 27 -18.046 -3.031 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.791 -0.494 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.581 -1.209 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.848 -2.413 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.618 -1.200 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.516 0.916 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.462 1.187 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.977 1.333 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.208 -1.264 -8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.682 0.301 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.901 -0.931 -6.993 1.00 0.00 H new ATOM 427 N GLU A 28 -19.118 -1.260 -2.867 1.00 0.00 N ATOM 428 CA GLU A 28 -19.658 -0.924 -1.516 1.00 0.00 C ATOM 429 C GLU A 28 -18.590 -0.241 -0.636 1.00 0.00 C ATOM 430 O GLU A 28 -18.890 0.727 0.073 1.00 0.00 O ATOM 431 CB GLU A 28 -20.158 -2.212 -0.803 1.00 0.00 C ATOM 432 CG GLU A 28 -21.389 -2.868 -1.458 1.00 0.00 C ATOM 433 CD GLU A 28 -21.683 -4.286 -0.944 1.00 0.00 C ATOM 434 OE1 GLU A 28 -20.955 -5.226 -1.342 1.00 0.00 O ATOM 435 OE2 GLU A 28 -22.636 -4.476 -0.153 1.00 0.00 O ATOM 0 H GLU A 28 -19.323 -2.217 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.488 -0.232 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.345 -2.938 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.399 -1.969 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.262 -2.239 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.238 -2.907 -2.537 1.00 0.00 H new ATOM 442 N GLU A 29 -17.349 -0.768 -0.712 1.00 0.00 N ATOM 443 CA GLU A 29 -16.177 -0.188 -0.038 1.00 0.00 C ATOM 444 C GLU A 29 -15.913 1.230 -0.522 1.00 0.00 C ATOM 445 O GLU A 29 -15.823 2.127 0.290 1.00 0.00 O ATOM 446 CB GLU A 29 -14.915 -1.075 -0.239 1.00 0.00 C ATOM 447 CG GLU A 29 -14.972 -2.417 0.503 1.00 0.00 C ATOM 448 CD GLU A 29 -15.015 -2.242 2.031 1.00 0.00 C ATOM 449 OE1 GLU A 29 -13.948 -1.982 2.636 1.00 0.00 O ATOM 450 OE2 GLU A 29 -16.111 -2.346 2.629 1.00 0.00 O ATOM 0 H GLU A 29 -17.136 -1.611 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.399 -0.150 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.783 -1.266 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.038 -0.522 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.853 -2.971 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.102 -3.015 0.233 1.00 0.00 H new ATOM 457 N LEU A 30 -15.851 1.425 -1.848 1.00 0.00 N ATOM 458 CA LEU A 30 -15.574 2.750 -2.454 1.00 0.00 C ATOM 459 C LEU A 30 -16.597 3.790 -1.983 1.00 0.00 C ATOM 460 O LEU A 30 -16.233 4.899 -1.590 1.00 0.00 O ATOM 461 CB LEU A 30 -15.592 2.668 -4.001 1.00 0.00 C ATOM 462 CG LEU A 30 -14.683 1.570 -4.628 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.661 1.653 -6.167 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.259 1.616 -4.046 1.00 0.00 C ATOM 0 H LEU A 30 -15.989 0.680 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.580 3.058 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.618 2.494 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.291 3.636 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.118 0.606 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.015 0.870 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.672 1.521 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.280 2.627 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.652 0.836 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.814 2.590 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.301 1.455 -2.969 1.00 0.00 H new ATOM 476 N MET A 31 -17.871 3.364 -1.993 1.00 0.00 N ATOM 477 CA MET A 31 -19.024 4.174 -1.588 1.00 0.00 C ATOM 478 C MET A 31 -18.967 4.519 -0.083 1.00 0.00 C ATOM 479 O MET A 31 -19.389 5.607 0.333 1.00 0.00 O ATOM 480 CB MET A 31 -20.340 3.442 -1.970 1.00 0.00 C ATOM 481 CG MET A 31 -20.422 3.039 -3.455 1.00 0.00 C ATOM 482 SD MET A 31 -22.103 2.799 -4.077 1.00 0.00 S ATOM 483 CE MET A 31 -22.555 4.480 -4.513 1.00 0.00 C ATOM 0 H MET A 31 -18.130 2.423 -2.291 1.00 0.00 H new ATOM 0 HA MET A 31 -18.996 5.123 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.438 2.547 -1.355 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.186 4.087 -1.732 1.00 0.00 H new ATOM 0 HG2 MET A 31 -19.933 3.807 -4.054 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.860 2.116 -3.599 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.640 4.562 -4.570 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.178 5.166 -3.755 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.121 4.734 -5.480 1.00 0.00 H new ATOM 493 N GLU A 32 -18.401 3.589 0.708 1.00 0.00 N ATOM 494 CA GLU A 32 -18.201 3.751 2.159 1.00 0.00 C ATOM 495 C GLU A 32 -17.137 4.823 2.446 1.00 0.00 C ATOM 496 O GLU A 32 -17.305 5.678 3.333 1.00 0.00 O ATOM 497 CB GLU A 32 -17.743 2.393 2.779 1.00 0.00 C ATOM 498 CG GLU A 32 -17.853 2.307 4.310 1.00 0.00 C ATOM 499 CD GLU A 32 -19.305 2.389 4.798 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.765 3.484 5.180 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.999 1.350 4.785 1.00 0.00 O ATOM 0 H GLU A 32 -18.066 2.693 0.353 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.145 4.065 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.339 1.592 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.707 2.212 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.410 1.371 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.276 3.115 4.759 1.00 0.00 H new ATOM 508 N LYS A 33 -16.037 4.749 1.677 1.00 0.00 N ATOM 509 CA LYS A 33 -14.874 5.627 1.863 1.00 0.00 C ATOM 510 C LYS A 33 -15.257 7.070 1.501 1.00 0.00 C ATOM 511 O LYS A 33 -15.077 7.971 2.305 1.00 0.00 O ATOM 512 CB LYS A 33 -13.627 5.176 1.030 1.00 0.00 C ATOM 513 CG LYS A 33 -13.298 3.662 1.039 1.00 0.00 C ATOM 514 CD LYS A 33 -13.364 2.998 2.442 1.00 0.00 C ATOM 515 CE LYS A 33 -13.251 1.462 2.350 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.384 0.794 3.669 1.00 0.00 N ATOM 0 H LYS A 33 -15.931 4.081 0.913 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.587 5.564 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.778 5.486 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.756 5.716 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.992 3.148 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.298 3.518 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.559 3.386 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.302 3.266 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.022 1.085 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.289 1.199 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.605 -0.212 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.491 0.882 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.149 1.244 4.211 1.00 0.00 H new ATOM 530 N LEU A 34 -15.833 7.264 0.291 1.00 0.00 N ATOM 531 CA LEU A 34 -16.241 8.601 -0.194 1.00 0.00 C ATOM 532 C LEU A 34 -17.280 9.243 0.749 1.00 0.00 C ATOM 533 O LEU A 34 -17.282 10.461 0.925 1.00 0.00 O ATOM 534 CB LEU A 34 -16.717 8.544 -1.687 1.00 0.00 C ATOM 535 CG LEU A 34 -17.923 7.600 -2.038 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.304 8.265 -1.812 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.812 7.044 -3.477 1.00 0.00 C ATOM 0 H LEU A 34 -16.025 6.509 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.368 9.253 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.984 9.556 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.867 8.241 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.858 6.766 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.094 7.561 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.403 8.550 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.387 9.152 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.664 6.396 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.805 7.871 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.889 6.473 -3.576 1.00 0.00 H new ATOM 549 N LYS A 35 -18.119 8.398 1.384 1.00 0.00 N ATOM 550 CA LYS A 35 -19.069 8.838 2.423 1.00 0.00 C ATOM 551 C LYS A 35 -18.342 9.513 3.608 1.00 0.00 C ATOM 552 O LYS A 35 -18.691 10.621 3.988 1.00 0.00 O ATOM 553 CB LYS A 35 -19.928 7.633 2.898 1.00 0.00 C ATOM 554 CG LYS A 35 -20.766 7.850 4.185 1.00 0.00 C ATOM 555 CD LYS A 35 -21.728 9.060 4.104 1.00 0.00 C ATOM 556 CE LYS A 35 -22.427 9.341 5.442 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.202 10.607 5.409 1.00 0.00 N ATOM 0 H LYS A 35 -18.156 7.397 1.191 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.731 9.588 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.606 7.357 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.265 6.783 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.346 6.949 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.090 7.990 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.170 9.944 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.479 8.873 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.094 8.514 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.682 9.392 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.313 10.972 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.697 11.308 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.140 10.429 4.997 1.00 0.00 H new ATOM 571 N GLU A 36 -17.333 8.846 4.183 1.00 0.00 N ATOM 572 CA GLU A 36 -16.607 9.393 5.357 1.00 0.00 C ATOM 573 C GLU A 36 -15.599 10.496 4.962 1.00 0.00 C ATOM 574 O GLU A 36 -15.100 11.216 5.831 1.00 0.00 O ATOM 575 CB GLU A 36 -15.914 8.253 6.142 1.00 0.00 C ATOM 576 CG GLU A 36 -14.830 7.495 5.356 1.00 0.00 C ATOM 577 CD GLU A 36 -14.253 6.307 6.123 1.00 0.00 C ATOM 578 OE1 GLU A 36 -14.848 5.207 6.065 1.00 0.00 O ATOM 579 OE2 GLU A 36 -13.211 6.463 6.800 1.00 0.00 O ATOM 0 H GLU A 36 -16.997 7.937 3.866 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.344 9.865 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.464 8.672 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.673 7.541 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.252 7.142 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.023 8.184 5.105 1.00 0.00 H new ATOM 586 N GLN A 37 -15.304 10.625 3.650 1.00 0.00 N ATOM 587 CA GLN A 37 -14.374 11.650 3.128 1.00 0.00 C ATOM 588 C GLN A 37 -15.087 13.003 2.929 1.00 0.00 C ATOM 589 O GLN A 37 -14.776 13.975 3.621 1.00 0.00 O ATOM 590 CB GLN A 37 -13.718 11.166 1.805 1.00 0.00 C ATOM 591 CG GLN A 37 -12.781 9.950 1.955 1.00 0.00 C ATOM 592 CD GLN A 37 -11.518 10.243 2.766 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.498 10.115 3.990 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.456 10.614 2.081 1.00 0.00 N ATOM 0 H GLN A 37 -15.701 10.025 2.927 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.587 11.800 3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.506 10.914 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.153 11.992 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.328 9.138 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.493 9.600 0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.511 10.709 1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.579 10.806 2.565 1.00 0.00 H new ATOM 603 N THR A 38 -16.047 13.054 1.994 1.00 0.00 N ATOM 604 CA THR A 38 -16.753 14.307 1.627 1.00 0.00 C ATOM 605 C THR A 38 -18.056 14.486 2.445 1.00 0.00 C ATOM 606 O THR A 38 -18.562 15.606 2.553 1.00 0.00 O ATOM 607 CB THR A 38 -17.056 14.351 0.090 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.674 15.596 -0.288 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.941 13.188 -0.359 1.00 0.00 C ATOM 0 H THR A 38 -16.360 12.237 1.469 1.00 0.00 H new ATOM 0 HA THR A 38 -16.090 15.137 1.870 1.00 0.00 H new ATOM 0 HB THR A 38 -16.093 14.262 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.100 16.001 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.123 13.262 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.441 12.245 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.891 13.227 0.174 1.00 0.00 H new ATOM 617 N GLY A 39 -18.603 13.376 2.991 1.00 0.00 N ATOM 618 CA GLY A 39 -19.786 13.430 3.868 1.00 0.00 C ATOM 619 C GLY A 39 -21.089 13.032 3.181 1.00 0.00 C ATOM 620 O GLY A 39 -22.091 12.776 3.864 1.00 0.00 O ATOM 0 H GLY A 39 -18.241 12.435 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.622 12.773 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.889 14.442 4.260 1.00 0.00 H new ATOM 624 N VAL A 40 -21.079 12.968 1.835 1.00 0.00 N ATOM 625 CA VAL A 40 -22.298 12.751 1.028 1.00 0.00 C ATOM 626 C VAL A 40 -22.768 11.260 1.121 1.00 0.00 C ATOM 627 O VAL A 40 -21.931 10.347 1.045 1.00 0.00 O ATOM 628 CB VAL A 40 -22.068 13.213 -0.479 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.232 12.202 -1.304 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.398 13.553 -1.190 1.00 0.00 C ATOM 0 H VAL A 40 -20.230 13.065 1.278 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.099 13.368 1.436 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.479 14.128 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.111 12.574 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.252 12.079 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.745 11.240 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.194 13.863 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.041 12.673 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.898 14.363 -0.659 1.00 0.00 H new ATOM 640 N PRO A 41 -24.105 10.995 1.367 1.00 0.00 N ATOM 641 CA PRO A 41 -24.655 9.616 1.426 1.00 0.00 C ATOM 642 C PRO A 41 -24.590 8.901 0.049 1.00 0.00 C ATOM 643 O PRO A 41 -25.214 9.365 -0.917 1.00 0.00 O ATOM 644 CB PRO A 41 -26.122 9.821 1.904 1.00 0.00 C ATOM 645 CG PRO A 41 -26.453 11.226 1.507 1.00 0.00 C ATOM 646 CD PRO A 41 -25.161 12.007 1.643 1.00 0.00 C ATOM 0 HA PRO A 41 -24.084 8.970 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.797 9.106 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.212 9.681 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.828 11.266 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.231 11.641 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.117 12.835 0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.055 12.435 2.640 1.00 0.00 H new ATOM 654 N PRO A 42 -23.852 7.744 -0.046 1.00 0.00 N ATOM 655 CA PRO A 42 -23.589 7.042 -1.328 1.00 0.00 C ATOM 656 C PRO A 42 -24.852 6.471 -2.004 1.00 0.00 C ATOM 657 O PRO A 42 -24.826 6.193 -3.203 1.00 0.00 O ATOM 658 CB PRO A 42 -22.626 5.902 -0.916 1.00 0.00 C ATOM 659 CG PRO A 42 -22.908 5.665 0.534 1.00 0.00 C ATOM 660 CD PRO A 42 -23.207 7.029 1.098 1.00 0.00 C ATOM 0 HA PRO A 42 -23.185 7.726 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.804 5.002 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.586 6.187 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.752 4.989 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.053 5.210 1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -23.871 6.970 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.300 7.535 1.428 1.00 0.00 H new ATOM 668 N GLU A 43 -25.948 6.298 -1.228 1.00 0.00 N ATOM 669 CA GLU A 43 -27.235 5.787 -1.760 1.00 0.00 C ATOM 670 C GLU A 43 -27.827 6.740 -2.826 1.00 0.00 C ATOM 671 O GLU A 43 -28.638 6.329 -3.657 1.00 0.00 O ATOM 672 CB GLU A 43 -28.251 5.555 -0.606 1.00 0.00 C ATOM 673 CG GLU A 43 -28.700 6.838 0.131 1.00 0.00 C ATOM 674 CD GLU A 43 -29.606 6.558 1.342 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.095 6.517 2.481 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.828 6.360 1.163 1.00 0.00 O ATOM 0 H GLU A 43 -25.967 6.505 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.037 4.831 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.133 5.059 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.806 4.873 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.818 7.385 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -29.230 7.484 -0.569 1.00 0.00 H new ATOM 683 N GLN A 44 -27.393 8.014 -2.783 1.00 0.00 N ATOM 684 CA GLN A 44 -27.843 9.064 -3.721 1.00 0.00 C ATOM 685 C GLN A 44 -26.785 9.333 -4.812 1.00 0.00 C ATOM 686 O GLN A 44 -26.878 10.341 -5.518 1.00 0.00 O ATOM 687 CB GLN A 44 -28.125 10.367 -2.926 1.00 0.00 C ATOM 688 CG GLN A 44 -29.094 10.187 -1.739 1.00 0.00 C ATOM 689 CD GLN A 44 -29.408 11.476 -0.966 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.460 12.404 -0.896 1.00 0.00 O flip ATOM 691 NE2 GLN A 44 -30.495 11.626 -0.417 1.00 0.00 N flip ATOM 0 H GLN A 44 -26.718 8.347 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.752 8.723 -4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -27.181 10.763 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.536 11.113 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -30.028 9.766 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.669 9.459 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -31.206 10.898 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -30.688 12.479 0.108 1.00 0.00 H new ATOM 700 N LEU A 45 -25.772 8.451 -4.922 1.00 0.00 N ATOM 701 CA LEU A 45 -24.648 8.589 -5.888 1.00 0.00 C ATOM 702 C LEU A 45 -24.437 7.309 -6.713 1.00 0.00 C ATOM 703 O LEU A 45 -24.936 6.228 -6.376 1.00 0.00 O ATOM 704 CB LEU A 45 -23.303 8.961 -5.164 1.00 0.00 C ATOM 705 CG LEU A 45 -23.122 10.449 -4.710 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.404 11.416 -5.875 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.971 10.797 -3.475 1.00 0.00 C ATOM 0 H LEU A 45 -25.704 7.615 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.927 9.399 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.206 8.325 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.479 8.709 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.080 10.567 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.272 12.443 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.712 11.212 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.428 11.278 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.808 11.840 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.026 10.643 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.682 10.156 -2.642 1.00 0.00 H new ATOM 719 N ARG A 46 -23.671 7.481 -7.809 1.00 0.00 N ATOM 720 CA ARG A 46 -23.189 6.410 -8.699 1.00 0.00 C ATOM 721 C ARG A 46 -21.676 6.614 -8.863 1.00 0.00 C ATOM 722 O ARG A 46 -21.246 7.722 -9.204 1.00 0.00 O ATOM 723 CB ARG A 46 -23.849 6.490 -10.111 1.00 0.00 C ATOM 724 CG ARG A 46 -25.378 6.659 -10.124 1.00 0.00 C ATOM 725 CD ARG A 46 -25.908 6.935 -11.538 1.00 0.00 C ATOM 726 NE ARG A 46 -27.351 7.247 -11.566 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.207 6.830 -12.515 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.817 5.988 -13.463 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.464 7.232 -12.499 1.00 0.00 N ATOM 0 H ARG A 46 -23.360 8.405 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.439 5.442 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.405 7.325 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.597 5.583 -10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.847 5.758 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.659 7.480 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.354 7.768 -11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.718 6.065 -12.167 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.726 7.821 -10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.856 5.648 -13.479 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.479 5.681 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.789 7.861 -11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.111 6.913 -13.221 1.00 0.00 H new ATOM 743 N VAL A 47 -20.880 5.563 -8.627 1.00 0.00 N ATOM 744 CA VAL A 47 -19.423 5.605 -8.849 1.00 0.00 C ATOM 745 C VAL A 47 -19.145 5.369 -10.349 1.00 0.00 C ATOM 746 O VAL A 47 -19.741 4.477 -10.942 1.00 0.00 O ATOM 747 CB VAL A 47 -18.683 4.538 -7.966 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.157 4.636 -8.125 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.078 4.680 -6.480 1.00 0.00 C ATOM 0 H VAL A 47 -21.220 4.666 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.041 6.582 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 47 -18.996 3.554 -8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.677 3.883 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.888 4.467 -9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.822 5.628 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.552 3.929 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.808 5.675 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.153 4.536 -6.374 1.00 0.00 H new ATOM 759 N ILE A 48 -18.267 6.193 -10.962 1.00 0.00 N ATOM 760 CA ILE A 48 -18.032 6.189 -12.430 1.00 0.00 C ATOM 761 C ILE A 48 -16.517 6.079 -12.748 1.00 0.00 C ATOM 762 O ILE A 48 -15.796 7.080 -12.724 1.00 0.00 O ATOM 763 CB ILE A 48 -18.620 7.483 -13.131 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.120 7.743 -12.739 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.458 7.410 -14.675 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.114 6.690 -13.194 1.00 0.00 C ATOM 0 H ILE A 48 -17.702 6.878 -10.460 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.553 5.317 -12.826 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.039 8.330 -12.765 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.182 7.830 -11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.423 8.705 -13.154 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.871 8.312 -15.127 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.400 7.329 -14.926 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -18.989 6.538 -15.056 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.116 6.971 -12.869 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.092 6.615 -14.281 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.848 5.727 -12.758 1.00 0.00 H new ATOM 778 N TYR A 49 -16.057 4.864 -13.066 1.00 0.00 N ATOM 779 CA TYR A 49 -14.657 4.605 -13.467 1.00 0.00 C ATOM 780 C TYR A 49 -14.434 4.936 -14.948 1.00 0.00 C ATOM 781 O TYR A 49 -14.963 4.232 -15.817 1.00 0.00 O ATOM 782 CB TYR A 49 -14.286 3.124 -13.212 1.00 0.00 C ATOM 783 CG TYR A 49 -12.945 2.649 -13.820 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.727 2.989 -13.241 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.911 1.828 -14.957 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.538 2.541 -13.766 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.719 1.386 -15.486 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.537 1.738 -14.882 1.00 0.00 C ATOM 789 OH TYR A 49 -9.339 1.281 -15.389 1.00 0.00 O ATOM 0 H TYR A 49 -16.640 4.027 -13.055 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.018 5.249 -12.864 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.254 2.958 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.085 2.496 -13.607 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.715 3.617 -12.362 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.839 1.537 -15.427 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.604 2.820 -13.301 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.714 0.766 -16.371 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.983 0.579 -14.805 1.00 0.00 H new ATOM 799 N ASN A 50 -13.681 6.022 -15.212 1.00 0.00 N ATOM 800 CA ASN A 50 -13.138 6.350 -16.558 1.00 0.00 C ATOM 801 C ASN A 50 -14.262 6.451 -17.640 1.00 0.00 C ATOM 802 O ASN A 50 -14.014 6.284 -18.843 1.00 0.00 O ATOM 803 CB ASN A 50 -12.030 5.294 -16.930 1.00 0.00 C ATOM 804 CG ASN A 50 -11.180 5.643 -18.160 1.00 0.00 C ATOM 805 OD1 ASN A 50 -10.976 6.814 -18.487 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.673 4.631 -18.851 1.00 0.00 N ATOM 0 H ASN A 50 -13.427 6.704 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.682 7.340 -16.530 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.367 5.170 -16.074 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.512 4.331 -17.102 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.099 4.812 -19.674 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.857 3.671 -18.559 1.00 0.00 H new ATOM 813 N GLY A 51 -15.495 6.745 -17.183 1.00 0.00 N ATOM 814 CA GLY A 51 -16.671 6.839 -18.049 1.00 0.00 C ATOM 815 C GLY A 51 -17.501 5.562 -18.079 1.00 0.00 C ATOM 816 O GLY A 51 -18.180 5.292 -19.074 1.00 0.00 O ATOM 0 H GLY A 51 -15.697 6.923 -16.199 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.298 7.664 -17.710 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.349 7.079 -19.062 1.00 0.00 H new ATOM 820 N ARG A 52 -17.456 4.774 -16.990 1.00 0.00 N ATOM 821 CA ARG A 52 -18.289 3.556 -16.826 1.00 0.00 C ATOM 822 C ARG A 52 -18.969 3.577 -15.457 1.00 0.00 C ATOM 823 O ARG A 52 -18.319 3.854 -14.459 1.00 0.00 O ATOM 824 CB ARG A 52 -17.459 2.246 -16.954 1.00 0.00 C ATOM 825 CG ARG A 52 -18.326 0.974 -16.783 1.00 0.00 C ATOM 826 CD ARG A 52 -17.568 -0.356 -16.981 1.00 0.00 C ATOM 827 NE ARG A 52 -18.460 -1.495 -17.329 1.00 0.00 N ATOM 828 CZ ARG A 52 -19.531 -1.943 -16.633 1.00 0.00 C ATOM 829 NH1 ARG A 52 -19.953 -1.342 -15.525 1.00 0.00 N ATOM 830 NH2 ARG A 52 -20.198 -3.001 -17.066 1.00 0.00 N ATOM 0 H ARG A 52 -16.843 4.958 -16.196 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.029 3.565 -17.626 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.973 2.222 -17.929 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.668 2.246 -16.204 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.764 0.981 -15.785 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.151 1.015 -17.494 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.827 -0.230 -17.770 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.024 -0.596 -16.068 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.239 -1.995 -18.190 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.466 -0.517 -15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.764 -1.706 -15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.904 -3.475 -17.920 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.006 -3.343 -16.545 1.00 0.00 H new ATOM 844 N GLU A 53 -20.266 3.231 -15.433 1.00 0.00 N ATOM 845 CA GLU A 53 -21.075 3.197 -14.208 1.00 0.00 C ATOM 846 C GLU A 53 -20.765 1.917 -13.408 1.00 0.00 C ATOM 847 O GLU A 53 -20.647 0.839 -13.994 1.00 0.00 O ATOM 848 CB GLU A 53 -22.569 3.292 -14.589 1.00 0.00 C ATOM 849 CG GLU A 53 -23.522 3.636 -13.432 1.00 0.00 C ATOM 850 CD GLU A 53 -24.915 3.993 -13.954 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.768 3.091 -14.077 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.143 5.170 -14.300 1.00 0.00 O ATOM 0 H GLU A 53 -20.785 2.965 -16.270 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.830 4.046 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.681 4.047 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.878 2.340 -15.022 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.592 2.789 -12.750 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.119 4.472 -12.861 1.00 0.00 H new ATOM 859 N LEU A 54 -20.588 2.048 -12.076 1.00 0.00 N ATOM 860 CA LEU A 54 -20.173 0.936 -11.193 1.00 0.00 C ATOM 861 C LEU A 54 -21.263 0.674 -10.140 1.00 0.00 C ATOM 862 O LEU A 54 -21.608 1.578 -9.360 1.00 0.00 O ATOM 863 CB LEU A 54 -18.822 1.253 -10.475 1.00 0.00 C ATOM 864 CG LEU A 54 -17.671 1.899 -11.323 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.373 1.985 -10.506 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.434 1.174 -12.665 1.00 0.00 C ATOM 0 H LEU A 54 -20.729 2.929 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 54 -20.032 0.050 -11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.036 1.920 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.443 0.323 -10.051 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.995 2.910 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.589 2.436 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.541 2.596 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.066 0.984 -10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.626 1.666 -13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.163 0.136 -12.475 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.345 1.208 -13.262 1.00 0.00 H new ATOM 878 N GLU A 55 -21.798 -0.556 -10.135 1.00 0.00 N ATOM 879 CA GLU A 55 -22.793 -0.997 -9.144 1.00 0.00 C ATOM 880 C GLU A 55 -22.100 -1.486 -7.853 1.00 0.00 C ATOM 881 O GLU A 55 -21.077 -2.169 -7.950 1.00 0.00 O ATOM 882 CB GLU A 55 -23.660 -2.123 -9.763 1.00 0.00 C ATOM 883 CG GLU A 55 -24.513 -1.658 -10.959 1.00 0.00 C ATOM 884 CD GLU A 55 -25.684 -0.745 -10.544 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.466 0.463 -10.338 1.00 0.00 O ATOM 886 OE2 GLU A 55 -26.829 -1.234 -10.407 1.00 0.00 O ATOM 0 H GLU A 55 -21.554 -1.274 -10.817 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.433 -0.156 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.009 -2.935 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.318 -2.528 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.877 -1.126 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.907 -2.531 -11.479 1.00 0.00 H new ATOM 893 N PRO A 56 -22.680 -1.172 -6.629 1.00 0.00 N ATOM 894 CA PRO A 56 -22.056 -1.501 -5.311 1.00 0.00 C ATOM 895 C PRO A 56 -21.795 -3.015 -5.132 1.00 0.00 C ATOM 896 O PRO A 56 -20.772 -3.420 -4.563 1.00 0.00 O ATOM 897 CB PRO A 56 -23.079 -0.948 -4.267 1.00 0.00 C ATOM 898 CG PRO A 56 -24.372 -0.832 -5.021 1.00 0.00 C ATOM 899 CD PRO A 56 -23.986 -0.476 -6.441 1.00 0.00 C ATOM 0 HA PRO A 56 -21.066 -1.057 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.177 -1.621 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.761 0.018 -3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.929 -1.768 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.012 -0.065 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.731 -0.820 -7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.890 0.602 -6.573 1.00 0.00 H new ATOM 907 N ARG A 57 -22.702 -3.827 -5.701 1.00 0.00 N ATOM 908 CA ARG A 57 -22.702 -5.300 -5.576 1.00 0.00 C ATOM 909 C ARG A 57 -21.501 -5.970 -6.288 1.00 0.00 C ATOM 910 O ARG A 57 -21.194 -7.140 -6.025 1.00 0.00 O ATOM 911 CB ARG A 57 -24.044 -5.852 -6.140 1.00 0.00 C ATOM 912 CG ARG A 57 -24.290 -5.544 -7.639 1.00 0.00 C ATOM 913 CD ARG A 57 -25.645 -6.068 -8.149 1.00 0.00 C ATOM 914 NE ARG A 57 -25.865 -5.739 -9.571 1.00 0.00 N ATOM 915 CZ ARG A 57 -26.562 -4.685 -10.033 1.00 0.00 C ATOM 916 NH1 ARG A 57 -27.122 -3.816 -9.203 1.00 0.00 N ATOM 917 NH2 ARG A 57 -26.701 -4.509 -11.338 1.00 0.00 N ATOM 0 H ARG A 57 -23.471 -3.475 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.601 -5.544 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.066 -6.932 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.866 -5.436 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.242 -4.466 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.490 -5.988 -8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.689 -7.149 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.448 -5.640 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 57 -25.453 -6.365 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.028 -3.940 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.647 -3.023 -9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -26.280 -5.171 -11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -27.229 -3.711 -11.692 1.00 0.00 H new ATOM 931 N THR A 58 -20.836 -5.224 -7.187 1.00 0.00 N ATOM 932 CA THR A 58 -19.747 -5.752 -8.031 1.00 0.00 C ATOM 933 C THR A 58 -18.358 -5.447 -7.419 1.00 0.00 C ATOM 934 O THR A 58 -18.229 -4.527 -6.608 1.00 0.00 O ATOM 935 CB THR A 58 -19.871 -5.149 -9.462 1.00 0.00 C ATOM 936 OG1 THR A 58 -21.239 -5.231 -9.894 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.974 -5.869 -10.492 1.00 0.00 C ATOM 0 H THR A 58 -21.038 -4.237 -7.350 1.00 0.00 H new ATOM 0 HA THR A 58 -19.839 -6.837 -8.087 1.00 0.00 H new ATOM 0 HB THR A 58 -19.539 -4.112 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.321 -4.851 -10.794 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.101 -5.407 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.931 -5.789 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.256 -6.921 -10.548 1.00 0.00 H new ATOM 945 N THR A 59 -17.333 -6.234 -7.808 1.00 0.00 N ATOM 946 CA THR A 59 -15.960 -6.111 -7.282 1.00 0.00 C ATOM 947 C THR A 59 -15.137 -5.086 -8.115 1.00 0.00 C ATOM 948 O THR A 59 -15.517 -4.728 -9.238 1.00 0.00 O ATOM 949 CB THR A 59 -15.256 -7.516 -7.295 1.00 0.00 C ATOM 950 OG1 THR A 59 -16.185 -8.533 -6.908 1.00 0.00 O ATOM 951 CG2 THR A 59 -14.054 -7.587 -6.342 1.00 0.00 C ATOM 0 H THR A 59 -17.437 -6.976 -8.500 1.00 0.00 H new ATOM 0 HA THR A 59 -16.013 -5.748 -6.256 1.00 0.00 H new ATOM 0 HB THR A 59 -14.900 -7.671 -8.313 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.739 -9.405 -6.920 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.607 -8.580 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.314 -6.841 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.386 -7.390 -5.323 1.00 0.00 H new ATOM 959 N LEU A 60 -13.998 -4.654 -7.548 1.00 0.00 N ATOM 960 CA LEU A 60 -13.063 -3.684 -8.153 1.00 0.00 C ATOM 961 C LEU A 60 -12.298 -4.302 -9.333 1.00 0.00 C ATOM 962 O LEU A 60 -12.119 -3.653 -10.370 1.00 0.00 O ATOM 963 CB LEU A 60 -12.062 -3.181 -7.064 1.00 0.00 C ATOM 964 CG LEU A 60 -12.468 -1.897 -6.272 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.847 -2.018 -5.621 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.396 -1.549 -5.229 1.00 0.00 C ATOM 0 H LEU A 60 -13.692 -4.978 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.640 -2.843 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.907 -3.987 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.102 -2.994 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.536 -1.083 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.078 -1.098 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.599 -2.187 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.848 -2.855 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.694 -0.652 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.287 -2.377 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.445 -1.370 -5.731 1.00 0.00 H new ATOM 978 N GLU A 61 -11.844 -5.554 -9.139 1.00 0.00 N ATOM 979 CA GLU A 61 -11.125 -6.343 -10.169 1.00 0.00 C ATOM 980 C GLU A 61 -11.963 -6.517 -11.465 1.00 0.00 C ATOM 981 O GLU A 61 -11.408 -6.671 -12.562 1.00 0.00 O ATOM 982 CB GLU A 61 -10.749 -7.731 -9.593 1.00 0.00 C ATOM 983 CG GLU A 61 -11.965 -8.559 -9.131 1.00 0.00 C ATOM 984 CD GLU A 61 -11.601 -9.936 -8.557 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.797 -10.166 -7.340 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.120 -10.800 -9.324 1.00 0.00 O ATOM 0 H GLU A 61 -11.964 -6.054 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.223 -5.793 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.204 -8.294 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.072 -7.594 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.510 -7.994 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.641 -8.696 -9.975 1.00 0.00 H new ATOM 993 N GLU A 62 -13.298 -6.470 -11.308 1.00 0.00 N ATOM 994 CA GLU A 62 -14.258 -6.599 -12.416 1.00 0.00 C ATOM 995 C GLU A 62 -14.273 -5.337 -13.295 1.00 0.00 C ATOM 996 O GLU A 62 -14.586 -5.410 -14.486 1.00 0.00 O ATOM 997 CB GLU A 62 -15.671 -6.891 -11.851 1.00 0.00 C ATOM 998 CG GLU A 62 -15.767 -8.181 -11.008 1.00 0.00 C ATOM 999 CD GLU A 62 -15.378 -9.450 -11.791 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -16.227 -9.972 -12.545 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.223 -9.921 -11.666 1.00 0.00 O ATOM 0 H GLU A 62 -13.744 -6.340 -10.400 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.947 -7.431 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.985 -6.047 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.374 -6.961 -12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.119 -8.087 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.786 -8.289 -10.637 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.924 -4.188 -12.689 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.884 -2.880 -13.378 1.00 0.00 C ATOM 1010 C TYR A 63 -12.445 -2.400 -13.623 1.00 0.00 C ATOM 1011 O TYR A 63 -12.262 -1.330 -14.208 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.637 -1.822 -12.548 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.124 -2.119 -12.345 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.683 -2.161 -11.075 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.975 -2.324 -13.429 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.026 -2.380 -10.893 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.321 -2.554 -13.243 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.842 -2.578 -11.976 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.190 -2.780 -11.787 1.00 0.00 O ATOM 0 H TYR A 63 -13.661 -4.137 -11.705 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.366 -3.011 -14.347 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.160 -1.736 -11.572 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.536 -0.854 -13.038 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.049 -2.019 -10.213 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.573 -2.302 -14.431 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.440 -2.396 -9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.965 -2.715 -14.095 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.627 -2.903 -12.655 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.443 -3.182 -13.166 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.007 -2.831 -13.285 1.00 0.00 C ATOM 1031 C ASN A 64 -9.725 -1.490 -12.566 1.00 0.00 C ATOM 1032 O ASN A 64 -9.101 -0.571 -13.115 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.557 -2.833 -14.783 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.037 -2.741 -14.998 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.531 -1.540 -15.234 1.00 0.00 O flip ATOM 1036 ND2 ASN A 64 -7.334 -3.750 -14.983 1.00 0.00 N flip ATOM 0 H ASN A 64 -11.605 -4.076 -12.703 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.405 -3.590 -12.786 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.923 -3.744 -15.257 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.034 -1.995 -15.292 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.754 -4.661 -14.798 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.331 -3.676 -15.155 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.228 -1.393 -11.325 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.966 -0.243 -10.447 1.00 0.00 C ATOM 1045 C ILE A 65 -8.505 -0.331 -9.967 1.00 0.00 C ATOM 1046 O ILE A 65 -8.204 -0.991 -8.975 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.960 -0.201 -9.221 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.448 -0.243 -9.700 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.704 1.031 -8.312 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.890 0.951 -10.515 1.00 0.00 C ATOM 0 H ILE A 65 -10.824 -2.106 -10.904 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.126 0.680 -11.005 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.771 -1.092 -8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.598 -1.145 -10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.093 -0.326 -8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.409 1.022 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.686 0.992 -7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.837 1.945 -8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.935 0.830 -10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.779 1.858 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.275 1.027 -11.412 1.00 0.00 H new ATOM 1062 N THR A 66 -7.613 0.254 -10.769 1.00 0.00 N ATOM 1063 CA THR A 66 -6.157 0.250 -10.551 1.00 0.00 C ATOM 1064 C THR A 66 -5.684 1.605 -9.961 1.00 0.00 C ATOM 1065 O THR A 66 -6.430 2.578 -10.026 1.00 0.00 O ATOM 1066 CB THR A 66 -5.451 -0.081 -11.914 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.087 0.638 -12.988 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.472 -1.594 -12.208 1.00 0.00 C ATOM 0 H THR A 66 -7.887 0.759 -11.612 1.00 0.00 H new ATOM 0 HA THR A 66 -5.888 -0.513 -9.821 1.00 0.00 H new ATOM 0 HB THR A 66 -4.410 0.232 -11.835 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.639 0.426 -13.834 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.975 -1.787 -13.159 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.952 -2.127 -11.412 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.504 -1.940 -12.262 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.446 1.692 -9.357 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.982 2.927 -8.681 1.00 0.00 C ATOM 1078 C PRO A 67 -3.725 4.091 -9.668 1.00 0.00 C ATOM 1079 O PRO A 67 -3.143 3.890 -10.738 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.678 2.481 -7.964 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.176 1.326 -8.778 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.409 0.613 -9.285 1.00 0.00 C ATOM 0 HA PRO A 67 -4.731 3.325 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.948 3.289 -7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.874 2.185 -6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.556 1.671 -9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.560 0.660 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.235 0.160 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.712 -0.188 -8.611 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.199 5.296 -9.296 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.983 6.521 -10.067 1.00 0.00 C ATOM 1092 C GLY A 68 -5.175 6.916 -10.919 1.00 0.00 C ATOM 1093 O GLY A 68 -5.122 7.943 -11.602 1.00 0.00 O ATOM 0 H GLY A 68 -4.745 5.440 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.750 7.336 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.114 6.387 -10.711 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.258 6.116 -10.886 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.480 6.395 -11.674 1.00 0.00 C ATOM 1099 C VAL A 69 -8.397 7.405 -10.945 1.00 0.00 C ATOM 1100 O VAL A 69 -8.267 7.609 -9.729 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.264 5.071 -11.997 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.359 4.076 -12.769 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.863 4.427 -10.720 1.00 0.00 C ATOM 0 H VAL A 69 -6.314 5.268 -10.321 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.165 6.841 -12.617 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.105 5.331 -12.639 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.919 3.166 -12.983 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.034 4.531 -13.705 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.487 3.831 -12.162 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.396 3.515 -10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.060 4.186 -10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.554 5.126 -10.250 1.00 0.00 H new ATOM 1113 N THR A 70 -9.306 8.041 -11.708 1.00 0.00 N ATOM 1114 CA THR A 70 -10.282 9.004 -11.178 1.00 0.00 C ATOM 1115 C THR A 70 -11.713 8.501 -11.442 1.00 0.00 C ATOM 1116 O THR A 70 -12.185 8.479 -12.588 1.00 0.00 O ATOM 1117 CB THR A 70 -10.093 10.425 -11.802 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.730 10.832 -11.637 1.00 0.00 O ATOM 1119 CG2 THR A 70 -11.022 11.476 -11.150 1.00 0.00 C ATOM 0 H THR A 70 -9.382 7.898 -12.715 1.00 0.00 H new ATOM 0 HA THR A 70 -10.115 9.088 -10.104 1.00 0.00 H new ATOM 0 HB THR A 70 -10.353 10.363 -12.859 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.605 11.722 -12.028 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.855 12.447 -11.615 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.062 11.180 -11.290 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.805 11.542 -10.084 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.348 8.044 -10.369 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.781 7.743 -10.317 1.00 0.00 C ATOM 1129 C LEU A 71 -14.550 9.056 -10.124 1.00 0.00 C ATOM 1130 O LEU A 71 -14.071 9.951 -9.438 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.062 6.759 -9.140 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.721 5.233 -9.360 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.434 4.997 -10.174 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.629 4.507 -8.000 1.00 0.00 C ATOM 0 H LEU A 71 -11.871 7.866 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.106 7.271 -11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.501 7.106 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.120 6.833 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.538 4.820 -9.952 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.264 3.926 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.538 5.451 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.588 5.447 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.393 3.455 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.846 4.964 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.583 4.588 -7.479 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.718 9.175 -10.751 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.596 10.344 -10.607 1.00 0.00 C ATOM 1148 C GLU A 72 -17.898 9.922 -9.932 1.00 0.00 C ATOM 1149 O GLU A 72 -18.279 8.754 -9.977 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.872 10.983 -11.988 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.624 11.605 -12.656 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.971 12.446 -13.891 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.315 11.856 -14.941 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -15.898 13.695 -13.823 1.00 0.00 O ATOM 0 H GLU A 72 -16.088 8.461 -11.378 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.104 11.091 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.286 10.224 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.633 11.755 -11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.102 12.230 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.937 10.810 -12.944 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.562 10.874 -9.276 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.875 10.644 -8.661 1.00 0.00 C ATOM 1163 C LEU A 73 -20.940 11.396 -9.445 1.00 0.00 C ATOM 1164 O LEU A 73 -20.984 12.627 -9.433 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.887 11.051 -7.165 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.014 10.165 -6.220 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.147 10.620 -4.744 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.377 8.660 -6.380 1.00 0.00 C ATOM 0 H LEU A 73 -18.209 11.823 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.093 9.577 -8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.546 12.083 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.917 11.027 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.971 10.291 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.528 9.985 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.818 11.655 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.188 10.540 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.756 8.063 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.427 8.510 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.202 8.351 -7.411 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.746 10.627 -10.179 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.954 11.119 -10.846 1.00 0.00 C ATOM 1182 C LYS A 74 -24.139 10.747 -9.957 1.00 0.00 C ATOM 1183 O LYS A 74 -24.154 9.664 -9.389 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.082 10.501 -12.271 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.272 11.234 -13.381 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.753 11.369 -13.082 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.983 12.128 -14.179 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.396 13.555 -14.254 1.00 0.00 N ATOM 0 H LYS A 74 -21.577 9.632 -10.329 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.917 12.200 -10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.756 9.462 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.134 10.494 -12.555 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.399 10.697 -14.321 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.692 12.230 -13.523 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.621 11.885 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.322 10.374 -12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.913 12.069 -13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.155 11.648 -15.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.787 14.057 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.386 13.614 -14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.304 13.993 -13.315 1.00 0.00 H new ATOM 1202 N THR A 75 -25.109 11.647 -9.821 1.00 0.00 N ATOM 1203 CA THR A 75 -26.207 11.499 -8.860 1.00 0.00 C ATOM 1204 C THR A 75 -27.168 10.347 -9.259 1.00 0.00 C ATOM 1205 O THR A 75 -27.459 10.141 -10.442 1.00 0.00 O ATOM 1206 CB THR A 75 -27.009 12.846 -8.719 1.00 0.00 C ATOM 1207 OG1 THR A 75 -26.185 13.958 -9.120 1.00 0.00 O ATOM 1208 CG2 THR A 75 -27.488 13.096 -7.273 1.00 0.00 C ATOM 0 H THR A 75 -25.159 12.503 -10.374 1.00 0.00 H new ATOM 0 HA THR A 75 -25.762 11.248 -7.897 1.00 0.00 H new ATOM 0 HB THR A 75 -27.883 12.758 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 75 -26.693 14.791 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 75 -28.036 14.037 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 75 -28.141 12.281 -6.960 1.00 0.00 H new ATOM 0 HG23 THR A 75 -26.626 13.146 -6.608 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.635 9.620 -8.245 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.605 8.525 -8.375 1.00 0.00 C ATOM 1218 C ARG A 76 -29.909 9.008 -7.730 1.00 0.00 C ATOM 1219 O ARG A 76 -30.267 8.601 -6.616 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.048 7.227 -7.701 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.779 5.917 -8.079 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.080 4.660 -7.520 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.674 3.404 -8.038 1.00 0.00 N ATOM 1224 CZ ARG A 76 -27.980 2.324 -8.460 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -26.653 2.306 -8.432 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -28.616 1.255 -8.912 1.00 0.00 N ATOM 0 H ARG A 76 -27.343 9.778 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.789 8.268 -9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.995 7.125 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.096 7.351 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.802 5.956 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.840 5.841 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -27.022 4.691 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.143 4.666 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.692 3.351 -8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.139 3.117 -8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -26.147 1.481 -8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -29.635 1.243 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -28.087 0.443 -9.229 1.00 0.00 H new