USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.745 (180deg=-1.08) USER MOD Single : A 24 MET CE :methyl 170:sc= 0 (180deg=-0.109) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.0263 (180deg=-0.18) USER MOD Single : A 27 MET CE :methyl -111:sc= -0.0137 (180deg=-2.22!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.152 F(o=-3.1!,f=-0.15) USER MOD Single : A 31 TYR OH : rot -165:sc= 0.95 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0256 (180deg=-0.192) USER MOD Single : A 52 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.09) USER MOD Single : A 65 ASN : amide:sc= -1.73! C(o=-1.7!,f=-5.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.939 X(o=-0.94,f=-1.4) USER MOD Single : A 77 CYS SG : rot 2:sc= 0.287 USER MOD Single : A 83 THR OG1 : rot -60:sc= -1.37 USER MOD Single : A 86 SER OG : rot 86:sc= 0.725 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 5.441 -7.013 7.511 1.00 31.32 N ATOM 80 CA PRO A 6 5.940 -7.520 8.801 1.00 54.02 C ATOM 81 C PRO A 6 4.792 -7.997 9.707 1.00 24.03 C ATOM 82 O PRO A 6 3.794 -7.293 9.881 1.00 72.25 O ATOM 83 CB PRO A 6 6.661 -6.307 9.421 1.00 23.20 C ATOM 84 CG PRO A 6 6.157 -5.120 8.663 1.00 63.12 C ATOM 85 CD PRO A 6 5.851 -5.617 7.276 1.00 42.53 C ATOM 0 HA PRO A 6 6.591 -8.386 8.679 1.00 54.02 H new ATOM 0 HB2 PRO A 6 6.439 -6.218 10.484 1.00 23.20 H new ATOM 0 HB3 PRO A 6 7.743 -6.403 9.328 1.00 23.20 H new ATOM 0 HG2 PRO A 6 5.266 -4.705 9.135 1.00 63.12 H new ATOM 0 HG3 PRO A 6 6.904 -4.327 8.638 1.00 63.12 H new ATOM 0 HD2 PRO A 6 5.058 -5.037 6.804 1.00 42.53 H new ATOM 0 HD3 PRO A 6 6.722 -5.556 6.623 1.00 42.53 H new ATOM 93 N ILE A 7 4.934 -9.192 10.277 1.00 24.44 N ATOM 94 CA ILE A 7 3.882 -9.773 11.116 1.00 64.32 C ATOM 95 C ILE A 7 3.717 -8.962 12.410 1.00 22.13 C ATOM 96 O ILE A 7 4.404 -9.202 13.401 1.00 42.15 O ATOM 97 CB ILE A 7 4.166 -11.267 11.461 1.00 63.21 C ATOM 98 CG1 ILE A 7 4.168 -12.153 10.195 1.00 13.00 C ATOM 99 CG2 ILE A 7 3.143 -11.799 12.467 1.00 32.01 C ATOM 100 CD1 ILE A 7 5.364 -11.960 9.285 1.00 61.21 C ATOM 0 H ILE A 7 5.763 -9.777 10.175 1.00 24.44 H new ATOM 0 HA ILE A 7 2.956 -9.734 10.542 1.00 64.32 H new ATOM 0 HB ILE A 7 5.159 -11.310 11.909 1.00 63.21 H new ATOM 0 HG12 ILE A 7 4.127 -13.199 10.501 1.00 13.00 H new ATOM 0 HG13 ILE A 7 3.260 -11.951 9.626 1.00 13.00 H new ATOM 0 HG21 ILE A 7 3.362 -12.843 12.692 1.00 32.01 H new ATOM 0 HG22 ILE A 7 3.195 -11.212 13.384 1.00 32.01 H new ATOM 0 HG23 ILE A 7 2.142 -11.722 12.043 1.00 32.01 H new ATOM 0 HD11 ILE A 7 5.277 -12.623 8.425 1.00 61.21 H new ATOM 0 HD12 ILE A 7 5.398 -10.925 8.944 1.00 61.21 H new ATOM 0 HD13 ILE A 7 6.278 -12.192 9.831 1.00 61.21 H new ATOM 112 N GLU A 8 2.833 -7.969 12.374 1.00 70.13 N ATOM 113 CA GLU A 8 2.605 -7.087 13.523 1.00 63.23 C ATOM 114 C GLU A 8 1.315 -7.467 14.264 1.00 74.10 C ATOM 115 O GLU A 8 0.204 -7.289 13.751 1.00 70.12 O ATOM 116 CB GLU A 8 2.574 -5.619 13.053 1.00 73.13 C ATOM 117 CG GLU A 8 2.528 -4.578 14.178 1.00 13.34 C ATOM 118 CD GLU A 8 1.116 -4.244 14.637 1.00 24.00 C ATOM 119 OE1 GLU A 8 0.432 -3.465 13.938 1.00 43.02 O ATOM 120 OE2 GLU A 8 0.681 -4.754 15.690 1.00 60.05 O ATOM 0 H GLU A 8 2.259 -7.751 11.560 1.00 70.13 H new ATOM 0 HA GLU A 8 3.427 -7.207 14.229 1.00 63.23 H new ATOM 0 HB2 GLU A 8 3.456 -5.431 12.440 1.00 73.13 H new ATOM 0 HB3 GLU A 8 1.704 -5.477 12.412 1.00 73.13 H new ATOM 0 HG2 GLU A 8 3.100 -4.948 15.029 1.00 13.34 H new ATOM 0 HG3 GLU A 8 3.017 -3.665 13.838 1.00 13.34 H new ATOM 127 N ILE A 9 1.478 -8.009 15.469 1.00 61.51 N ATOM 128 CA ILE A 9 0.349 -8.419 16.313 1.00 42.20 C ATOM 129 C ILE A 9 0.428 -7.756 17.701 1.00 15.44 C ATOM 130 O ILE A 9 1.422 -7.910 18.414 1.00 24.11 O ATOM 131 CB ILE A 9 0.312 -9.963 16.483 1.00 71.11 C ATOM 132 CG1 ILE A 9 0.201 -10.657 15.111 1.00 2.43 C ATOM 133 CG2 ILE A 9 -0.845 -10.381 17.393 1.00 52.40 C ATOM 134 CD1 ILE A 9 0.179 -12.172 15.185 1.00 41.24 C ATOM 0 H ILE A 9 2.392 -8.177 15.890 1.00 61.51 H new ATOM 0 HA ILE A 9 -0.564 -8.094 15.814 1.00 42.20 H new ATOM 0 HB ILE A 9 1.245 -10.276 16.952 1.00 71.11 H new ATOM 0 HG12 ILE A 9 -0.707 -10.315 14.615 1.00 2.43 H new ATOM 0 HG13 ILE A 9 1.041 -10.346 14.489 1.00 2.43 H new ATOM 0 HG21 ILE A 9 -0.852 -11.466 17.498 1.00 52.40 H new ATOM 0 HG22 ILE A 9 -0.720 -9.922 18.374 1.00 52.40 H new ATOM 0 HG23 ILE A 9 -1.788 -10.053 16.956 1.00 52.40 H new ATOM 0 HD11 ILE A 9 0.099 -12.584 14.179 1.00 41.24 H new ATOM 0 HD12 ILE A 9 1.098 -12.527 15.651 1.00 41.24 H new ATOM 0 HD13 ILE A 9 -0.676 -12.495 15.778 1.00 41.24 H new ATOM 146 N ALA A 10 -0.613 -7.001 18.066 1.00 72.14 N ATOM 147 CA ALA A 10 -0.692 -6.334 19.379 1.00 24.11 C ATOM 148 C ALA A 10 0.468 -5.348 19.605 1.00 4.11 C ATOM 149 O ALA A 10 0.844 -5.064 20.745 1.00 12.32 O ATOM 150 CB ALA A 10 -0.741 -7.372 20.501 1.00 42.13 C ATOM 0 H ALA A 10 -1.422 -6.833 17.468 1.00 72.14 H new ATOM 0 HA ALA A 10 -1.613 -5.751 19.391 1.00 24.11 H new ATOM 0 HB1 ALA A 10 -0.799 -6.864 21.464 1.00 42.13 H new ATOM 0 HB2 ALA A 10 -1.618 -8.006 20.372 1.00 42.13 H new ATOM 0 HB3 ALA A 10 0.159 -7.986 20.468 1.00 42.13 H new ATOM 156 N GLY A 11 1.018 -4.813 18.516 1.00 41.20 N ATOM 157 CA GLY A 11 2.148 -3.891 18.611 1.00 51.13 C ATOM 158 C GLY A 11 3.505 -4.585 18.498 1.00 14.31 C ATOM 159 O GLY A 11 4.549 -3.935 18.554 1.00 30.00 O ATOM 0 H GLY A 11 0.702 -5.000 17.564 1.00 41.20 H new ATOM 0 HA2 GLY A 11 2.064 -3.142 17.824 1.00 51.13 H new ATOM 0 HA3 GLY A 11 2.097 -3.361 19.562 1.00 51.13 H new ATOM 163 N HIS A 12 3.490 -5.909 18.336 1.00 51.33 N ATOM 164 CA HIS A 12 4.724 -6.696 18.200 1.00 24.43 C ATOM 165 C HIS A 12 4.949 -7.095 16.733 1.00 2.10 C ATOM 166 O HIS A 12 4.281 -7.997 16.228 1.00 53.34 O ATOM 167 CB HIS A 12 4.654 -7.964 19.069 1.00 4.34 C ATOM 168 CG HIS A 12 4.285 -7.714 20.503 1.00 14.23 C ATOM 169 ND1 HIS A 12 5.187 -7.786 21.543 1.00 75.21 N ATOM 170 CD2 HIS A 12 3.090 -7.418 21.073 1.00 64.25 C ATOM 171 CE1 HIS A 12 4.568 -7.549 22.681 1.00 63.03 C ATOM 172 NE2 HIS A 12 3.297 -7.322 22.426 1.00 63.43 N ATOM 0 H HIS A 12 2.635 -6.464 18.295 1.00 51.33 H new ATOM 0 HA HIS A 12 5.557 -6.078 18.535 1.00 24.43 H new ATOM 0 HB2 HIS A 12 3.926 -8.649 18.633 1.00 4.34 H new ATOM 0 HB3 HIS A 12 5.621 -8.465 19.038 1.00 4.34 H new ATOM 0 HD2 HIS A 12 2.151 -7.283 20.558 1.00 64.25 H new ATOM 0 HE1 HIS A 12 5.026 -7.542 23.659 1.00 63.03 H new ATOM 0 HE2 HIS A 12 2.582 -7.109 23.121 1.00 63.43 H new ATOM 181 N GLU A 13 5.869 -6.417 16.045 1.00 32.21 N ATOM 182 CA GLU A 13 6.146 -6.729 14.634 1.00 74.30 C ATOM 183 C GLU A 13 7.238 -7.804 14.494 1.00 75.42 C ATOM 184 O GLU A 13 8.216 -7.827 15.250 1.00 52.43 O ATOM 185 CB GLU A 13 6.551 -5.468 13.851 1.00 51.15 C ATOM 186 CG GLU A 13 7.885 -4.865 14.277 1.00 34.01 C ATOM 187 CD GLU A 13 8.323 -3.714 13.384 1.00 1.34 C ATOM 188 OE1 GLU A 13 8.934 -3.975 12.326 1.00 64.20 O ATOM 189 OE2 GLU A 13 8.067 -2.543 13.739 1.00 64.50 O ATOM 0 H GLU A 13 6.430 -5.658 16.431 1.00 32.21 H new ATOM 0 HA GLU A 13 5.221 -7.121 14.211 1.00 74.30 H new ATOM 0 HB2 GLU A 13 6.599 -5.713 12.790 1.00 51.15 H new ATOM 0 HB3 GLU A 13 5.771 -4.715 13.969 1.00 51.15 H new ATOM 0 HG2 GLU A 13 7.807 -4.512 15.305 1.00 34.01 H new ATOM 0 HG3 GLU A 13 8.650 -5.641 14.263 1.00 34.01 H new ATOM 196 N PHE A 14 7.053 -8.702 13.529 1.00 22.41 N ATOM 197 CA PHE A 14 8.029 -9.758 13.239 1.00 71.25 C ATOM 198 C PHE A 14 8.431 -9.748 11.756 1.00 14.11 C ATOM 199 O PHE A 14 7.580 -9.862 10.872 1.00 21.35 O ATOM 200 CB PHE A 14 7.458 -11.134 13.619 1.00 4.25 C ATOM 201 CG PHE A 14 7.055 -11.238 15.071 1.00 64.35 C ATOM 202 CD1 PHE A 14 8.003 -11.485 16.052 1.00 73.20 C ATOM 203 CD2 PHE A 14 5.729 -11.083 15.453 1.00 63.02 C ATOM 204 CE1 PHE A 14 7.639 -11.575 17.380 1.00 73.21 C ATOM 205 CE2 PHE A 14 5.360 -11.173 16.781 1.00 3.01 C ATOM 206 CZ PHE A 14 6.316 -11.417 17.746 1.00 60.03 C ATOM 0 H PHE A 14 6.229 -8.721 12.928 1.00 22.41 H new ATOM 0 HA PHE A 14 8.920 -9.564 13.837 1.00 71.25 H new ATOM 0 HB2 PHE A 14 6.591 -11.344 12.993 1.00 4.25 H new ATOM 0 HB3 PHE A 14 8.202 -11.900 13.401 1.00 4.25 H new ATOM 0 HD1 PHE A 14 9.039 -11.608 15.773 1.00 73.20 H new ATOM 0 HD2 PHE A 14 4.977 -10.890 14.702 1.00 63.02 H new ATOM 0 HE1 PHE A 14 8.388 -11.769 18.133 1.00 73.21 H new ATOM 0 HE2 PHE A 14 4.325 -11.053 17.064 1.00 3.01 H new ATOM 0 HZ PHE A 14 6.031 -11.484 18.785 1.00 60.03 H new ATOM 216 N ALA A 15 9.732 -9.617 11.494 1.00 3.33 N ATOM 217 CA ALA A 15 10.250 -9.561 10.117 1.00 73.14 C ATOM 218 C ALA A 15 9.970 -10.856 9.336 1.00 52.22 C ATOM 219 O ALA A 15 9.935 -10.859 8.104 1.00 2.21 O ATOM 220 CB ALA A 15 11.749 -9.269 10.134 1.00 14.50 C ATOM 0 H ALA A 15 10.451 -9.547 12.214 1.00 3.33 H new ATOM 0 HA ALA A 15 9.726 -8.755 9.604 1.00 73.14 H new ATOM 0 HB1 ALA A 15 12.124 -9.229 9.111 1.00 14.50 H new ATOM 0 HB2 ALA A 15 11.928 -8.311 10.623 1.00 14.50 H new ATOM 0 HB3 ALA A 15 12.267 -10.057 10.680 1.00 14.50 H new ATOM 226 N ARG A 16 9.773 -11.955 10.059 1.00 2.41 N ATOM 227 CA ARG A 16 9.502 -13.255 9.443 1.00 33.02 C ATOM 228 C ARG A 16 8.569 -14.092 10.334 1.00 71.22 C ATOM 229 O ARG A 16 8.667 -14.050 11.559 1.00 10.55 O ATOM 230 CB ARG A 16 10.826 -13.996 9.193 1.00 21.54 C ATOM 231 CG ARG A 16 10.687 -15.267 8.362 1.00 64.01 C ATOM 232 CD ARG A 16 12.047 -15.873 8.028 1.00 3.10 C ATOM 233 NE ARG A 16 11.937 -17.018 7.125 1.00 60.24 N ATOM 234 CZ ARG A 16 12.952 -17.560 6.508 1.00 42.33 C ATOM 235 NH1 ARG A 16 14.145 -17.086 6.656 1.00 3.05 N ATOM 236 NH2 ARG A 16 12.775 -18.574 5.731 1.00 33.30 N ATOM 0 H ARG A 16 9.796 -11.973 11.079 1.00 2.41 H new ATOM 0 HA ARG A 16 9.001 -13.098 8.488 1.00 33.02 H new ATOM 0 HB2 ARG A 16 11.517 -13.320 8.689 1.00 21.54 H new ATOM 0 HB3 ARG A 16 11.273 -14.251 10.154 1.00 21.54 H new ATOM 0 HG2 ARG A 16 10.088 -15.996 8.908 1.00 64.01 H new ATOM 0 HG3 ARG A 16 10.152 -15.042 7.439 1.00 64.01 H new ATOM 0 HD2 ARG A 16 12.679 -15.112 7.571 1.00 3.10 H new ATOM 0 HD3 ARG A 16 12.539 -16.185 8.949 1.00 3.10 H new ATOM 0 HE ARG A 16 11.012 -17.417 6.968 1.00 60.24 H new ATOM 0 HH11 ARG A 16 14.302 -16.279 7.260 1.00 3.05 H new ATOM 0 HH12 ARG A 16 14.930 -17.518 6.168 1.00 3.05 H new ATOM 0 HH21 ARG A 16 11.839 -18.956 5.596 1.00 33.30 H new ATOM 0 HH22 ARG A 16 13.571 -18.994 5.251 1.00 33.30 H new ATOM 250 N LYS A 17 7.666 -14.850 9.715 1.00 31.23 N ATOM 251 CA LYS A 17 6.684 -15.658 10.455 1.00 70.11 C ATOM 252 C LYS A 17 7.380 -16.661 11.401 1.00 42.45 C ATOM 253 O LYS A 17 6.933 -16.883 12.529 1.00 64.23 O ATOM 254 CB LYS A 17 5.756 -16.383 9.458 1.00 73.20 C ATOM 255 CG LYS A 17 4.526 -17.052 10.083 1.00 53.32 C ATOM 256 CD LYS A 17 4.827 -18.441 10.650 1.00 42.21 C ATOM 257 CE LYS A 17 5.319 -19.401 9.572 1.00 13.14 C ATOM 258 NZ LYS A 17 5.519 -20.778 10.099 1.00 72.22 N ATOM 0 H LYS A 17 7.590 -14.925 8.701 1.00 31.23 H new ATOM 0 HA LYS A 17 6.084 -14.996 11.079 1.00 70.11 H new ATOM 0 HB2 LYS A 17 5.419 -15.665 8.711 1.00 73.20 H new ATOM 0 HB3 LYS A 17 6.335 -17.142 8.932 1.00 73.20 H new ATOM 0 HG2 LYS A 17 4.138 -16.416 10.879 1.00 53.32 H new ATOM 0 HG3 LYS A 17 3.742 -17.134 9.330 1.00 53.32 H new ATOM 0 HD2 LYS A 17 5.580 -18.358 11.433 1.00 42.21 H new ATOM 0 HD3 LYS A 17 3.928 -18.846 11.114 1.00 42.21 H new ATOM 0 HE2 LYS A 17 4.599 -19.427 8.754 1.00 13.14 H new ATOM 0 HE3 LYS A 17 6.257 -19.031 9.159 1.00 13.14 H new ATOM 0 HZ1 LYS A 17 5.637 -21.440 9.305 1.00 72.22 H new ATOM 0 HZ2 LYS A 17 6.369 -20.800 10.698 1.00 72.22 H new ATOM 0 HZ3 LYS A 17 4.691 -21.058 10.662 1.00 72.22 H new ATOM 272 N ALA A 18 8.478 -17.259 10.935 1.00 32.53 N ATOM 273 CA ALA A 18 9.280 -18.178 11.757 1.00 74.21 C ATOM 274 C ALA A 18 9.812 -17.501 13.035 1.00 54.22 C ATOM 275 O ALA A 18 10.123 -18.170 14.020 1.00 61.21 O ATOM 276 CB ALA A 18 10.436 -18.739 10.934 1.00 31.23 C ATOM 0 H ALA A 18 8.836 -17.125 9.989 1.00 32.53 H new ATOM 0 HA ALA A 18 8.628 -18.993 12.072 1.00 74.21 H new ATOM 0 HB1 ALA A 18 11.025 -19.419 11.550 1.00 31.23 H new ATOM 0 HB2 ALA A 18 10.041 -19.279 10.073 1.00 31.23 H new ATOM 0 HB3 ALA A 18 11.069 -17.921 10.590 1.00 31.23 H new ATOM 282 N ASP A 19 9.922 -16.174 13.012 1.00 60.33 N ATOM 283 CA ASP A 19 10.376 -15.411 14.179 1.00 61.04 C ATOM 284 C ASP A 19 9.241 -15.258 15.209 1.00 53.30 C ATOM 285 O ASP A 19 9.472 -15.293 16.422 1.00 34.13 O ATOM 286 CB ASP A 19 10.886 -14.036 13.729 1.00 31.05 C ATOM 287 CG ASP A 19 11.607 -13.285 14.834 1.00 33.13 C ATOM 288 OD1 ASP A 19 12.755 -13.651 15.152 1.00 44.24 O ATOM 289 OD2 ASP A 19 11.039 -12.320 15.381 1.00 42.25 O ATOM 0 H ASP A 19 9.703 -15.601 12.197 1.00 60.33 H new ATOM 0 HA ASP A 19 11.191 -15.953 14.659 1.00 61.04 H new ATOM 0 HB2 ASP A 19 11.561 -14.163 12.882 1.00 31.05 H new ATOM 0 HB3 ASP A 19 10.044 -13.438 13.379 1.00 31.05 H new ATOM 294 N ALA A 20 8.012 -15.107 14.711 1.00 2.15 N ATOM 295 CA ALA A 20 6.826 -14.993 15.568 1.00 24.43 C ATOM 296 C ALA A 20 6.613 -16.268 16.398 1.00 23.44 C ATOM 297 O ALA A 20 6.356 -16.203 17.603 1.00 14.24 O ATOM 298 CB ALA A 20 5.592 -14.697 14.721 1.00 43.32 C ATOM 0 H ALA A 20 7.810 -15.060 13.712 1.00 2.15 H new ATOM 0 HA ALA A 20 6.987 -14.167 16.261 1.00 24.43 H new ATOM 0 HB1 ALA A 20 4.718 -14.615 15.367 1.00 43.32 H new ATOM 0 HB2 ALA A 20 5.736 -13.760 14.184 1.00 43.32 H new ATOM 0 HB3 ALA A 20 5.439 -15.505 14.006 1.00 43.32 H new ATOM 304 N LEU A 21 6.733 -17.427 15.743 1.00 63.13 N ATOM 305 CA LEU A 21 6.612 -18.726 16.425 1.00 11.34 C ATOM 306 C LEU A 21 7.617 -18.840 17.582 1.00 75.21 C ATOM 307 O LEU A 21 7.281 -19.317 18.671 1.00 33.53 O ATOM 308 CB LEU A 21 6.830 -19.876 15.430 1.00 45.11 C ATOM 309 CG LEU A 21 5.870 -19.901 14.229 1.00 70.43 C ATOM 310 CD1 LEU A 21 6.126 -21.131 13.363 1.00 12.33 C ATOM 311 CD2 LEU A 21 4.414 -19.858 14.694 1.00 23.10 C ATOM 0 H LEU A 21 6.914 -17.496 14.741 1.00 63.13 H new ATOM 0 HA LEU A 21 5.605 -18.794 16.836 1.00 11.34 H new ATOM 0 HB2 LEU A 21 7.852 -19.821 15.055 1.00 45.11 H new ATOM 0 HB3 LEU A 21 6.738 -20.820 15.967 1.00 45.11 H new ATOM 0 HG LEU A 21 6.057 -19.013 13.625 1.00 70.43 H new ATOM 0 HD11 LEU A 21 5.437 -21.131 12.518 1.00 12.33 H new ATOM 0 HD12 LEU A 21 7.152 -21.110 12.995 1.00 12.33 H new ATOM 0 HD13 LEU A 21 5.972 -22.032 13.957 1.00 12.33 H new ATOM 0 HD21 LEU A 21 3.754 -19.877 13.827 1.00 23.10 H new ATOM 0 HD22 LEU A 21 4.208 -20.722 15.325 1.00 23.10 H new ATOM 0 HD23 LEU A 21 4.240 -18.944 15.262 1.00 23.10 H new ATOM 323 N ALA A 22 8.849 -18.391 17.333 1.00 54.50 N ATOM 324 CA ALA A 22 9.899 -18.378 18.357 1.00 61.24 C ATOM 325 C ALA A 22 9.470 -17.561 19.585 1.00 40.05 C ATOM 326 O ALA A 22 9.558 -18.037 20.719 1.00 21.43 O ATOM 327 CB ALA A 22 11.196 -17.824 17.772 1.00 55.20 C ATOM 0 H ALA A 22 9.146 -18.030 16.427 1.00 54.50 H new ATOM 0 HA ALA A 22 10.068 -19.404 18.683 1.00 61.24 H new ATOM 0 HB1 ALA A 22 11.969 -17.819 18.541 1.00 55.20 H new ATOM 0 HB2 ALA A 22 11.516 -18.450 16.940 1.00 55.20 H new ATOM 0 HB3 ALA A 22 11.030 -16.807 17.418 1.00 55.20 H new ATOM 333 N PHE A 23 8.985 -16.339 19.349 1.00 22.50 N ATOM 334 CA PHE A 23 8.484 -15.474 20.429 1.00 33.33 C ATOM 335 C PHE A 23 7.389 -16.178 21.250 1.00 51.23 C ATOM 336 O PHE A 23 7.433 -16.195 22.484 1.00 3.21 O ATOM 337 CB PHE A 23 7.943 -14.158 19.844 1.00 22.21 C ATOM 338 CG PHE A 23 7.280 -13.256 20.861 1.00 4.31 C ATOM 339 CD1 PHE A 23 8.039 -12.494 21.739 1.00 1.42 C ATOM 340 CD2 PHE A 23 5.894 -13.171 20.939 1.00 32.21 C ATOM 341 CE1 PHE A 23 7.433 -11.669 22.670 1.00 24.01 C ATOM 342 CE2 PHE A 23 5.285 -12.347 21.867 1.00 22.14 C ATOM 343 CZ PHE A 23 6.056 -11.596 22.733 1.00 14.31 C ATOM 0 H PHE A 23 8.927 -15.923 18.420 1.00 22.50 H new ATOM 0 HA PHE A 23 9.316 -15.255 21.098 1.00 33.33 H new ATOM 0 HB2 PHE A 23 8.765 -13.617 19.375 1.00 22.21 H new ATOM 0 HB3 PHE A 23 7.225 -14.391 19.058 1.00 22.21 H new ATOM 0 HD1 PHE A 23 9.117 -12.546 21.695 1.00 1.42 H new ATOM 0 HD2 PHE A 23 5.285 -13.756 20.266 1.00 32.21 H new ATOM 0 HE1 PHE A 23 8.037 -11.083 23.347 1.00 24.01 H new ATOM 0 HE2 PHE A 23 4.208 -12.290 21.915 1.00 22.14 H new ATOM 0 HZ PHE A 23 5.582 -10.952 23.459 1.00 14.31 H new ATOM 353 N MET A 24 6.414 -16.763 20.555 1.00 41.13 N ATOM 354 CA MET A 24 5.328 -17.496 21.212 1.00 20.12 C ATOM 355 C MET A 24 5.875 -18.640 22.081 1.00 14.32 C ATOM 356 O MET A 24 5.391 -18.881 23.187 1.00 2.11 O ATOM 357 CB MET A 24 4.351 -18.055 20.173 1.00 3.24 C ATOM 358 CG MET A 24 3.674 -16.991 19.321 1.00 42.20 C ATOM 359 SD MET A 24 2.518 -17.697 18.130 1.00 34.55 S ATOM 360 CE MET A 24 1.972 -16.226 17.266 1.00 45.11 C ATOM 0 H MET A 24 6.352 -16.745 19.537 1.00 41.13 H new ATOM 0 HA MET A 24 4.800 -16.795 21.858 1.00 20.12 H new ATOM 0 HB2 MET A 24 4.887 -18.742 19.519 1.00 3.24 H new ATOM 0 HB3 MET A 24 3.585 -18.636 20.686 1.00 3.24 H new ATOM 0 HG2 MET A 24 3.143 -16.294 19.969 1.00 42.20 H new ATOM 0 HG3 MET A 24 4.433 -16.417 18.790 1.00 42.20 H new ATOM 0 HE1 MET A 24 1.394 -16.513 16.388 1.00 45.11 H new ATOM 0 HE2 MET A 24 1.350 -15.624 17.929 1.00 45.11 H new ATOM 0 HE3 MET A 24 2.839 -15.644 16.955 1.00 45.11 H new ATOM 370 N LYS A 25 6.889 -19.342 21.570 1.00 14.11 N ATOM 371 CA LYS A 25 7.534 -20.428 22.315 1.00 55.33 C ATOM 372 C LYS A 25 8.224 -19.879 23.578 1.00 52.34 C ATOM 373 O LYS A 25 8.078 -20.433 24.669 1.00 70.04 O ATOM 374 CB LYS A 25 8.545 -21.162 21.405 1.00 42.14 C ATOM 375 CG LYS A 25 8.990 -22.546 21.904 1.00 65.14 C ATOM 376 CD LYS A 25 10.013 -22.479 23.042 1.00 24.43 C ATOM 377 CE LYS A 25 11.335 -21.861 22.593 1.00 52.04 C ATOM 378 NZ LYS A 25 11.981 -22.650 21.512 1.00 42.24 N ATOM 0 H LYS A 25 7.282 -19.178 20.643 1.00 14.11 H new ATOM 0 HA LYS A 25 6.774 -21.142 22.633 1.00 55.33 H new ATOM 0 HB2 LYS A 25 8.103 -21.275 20.415 1.00 42.14 H new ATOM 0 HB3 LYS A 25 9.428 -20.534 21.290 1.00 42.14 H new ATOM 0 HG2 LYS A 25 8.115 -23.101 22.243 1.00 65.14 H new ATOM 0 HG3 LYS A 25 9.419 -23.104 21.072 1.00 65.14 H new ATOM 0 HD2 LYS A 25 9.601 -21.894 23.865 1.00 24.43 H new ATOM 0 HD3 LYS A 25 10.195 -23.483 23.425 1.00 24.43 H new ATOM 0 HE2 LYS A 25 11.159 -20.844 22.243 1.00 52.04 H new ATOM 0 HE3 LYS A 25 12.011 -21.793 23.445 1.00 52.04 H new ATOM 0 HZ1 LYS A 25 12.963 -22.331 21.389 1.00 42.24 H new ATOM 0 HZ2 LYS A 25 11.973 -23.658 21.766 1.00 42.24 H new ATOM 0 HZ3 LYS A 25 11.459 -22.513 20.623 1.00 42.24 H new ATOM 392 N VAL A 26 8.961 -18.779 23.422 1.00 14.50 N ATOM 393 CA VAL A 26 9.668 -18.150 24.545 1.00 51.43 C ATOM 394 C VAL A 26 8.715 -17.806 25.703 1.00 1.00 C ATOM 395 O VAL A 26 8.947 -18.205 26.846 1.00 71.12 O ATOM 396 CB VAL A 26 10.421 -16.869 24.095 1.00 11.33 C ATOM 397 CG1 VAL A 26 11.068 -16.162 25.288 1.00 42.43 C ATOM 398 CG2 VAL A 26 11.469 -17.204 23.033 1.00 3.13 C ATOM 0 H VAL A 26 9.086 -18.302 22.529 1.00 14.50 H new ATOM 0 HA VAL A 26 10.394 -18.881 24.901 1.00 51.43 H new ATOM 0 HB VAL A 26 9.692 -16.188 23.656 1.00 11.33 H new ATOM 0 HG11 VAL A 26 11.588 -15.268 24.943 1.00 42.43 H new ATOM 0 HG12 VAL A 26 10.297 -15.879 26.005 1.00 42.43 H new ATOM 0 HG13 VAL A 26 11.780 -16.834 25.767 1.00 42.43 H new ATOM 0 HG21 VAL A 26 11.985 -16.293 22.731 1.00 3.13 H new ATOM 0 HG22 VAL A 26 12.190 -17.911 23.444 1.00 3.13 H new ATOM 0 HG23 VAL A 26 10.980 -17.648 22.166 1.00 3.13 H new ATOM 408 N MET A 27 7.633 -17.082 25.411 1.00 45.13 N ATOM 409 CA MET A 27 6.665 -16.712 26.453 1.00 4.30 C ATOM 410 C MET A 27 5.908 -17.949 26.976 1.00 61.02 C ATOM 411 O MET A 27 5.487 -17.988 28.132 1.00 32.35 O ATOM 412 CB MET A 27 5.688 -15.638 25.948 1.00 74.30 C ATOM 413 CG MET A 27 4.745 -16.089 24.840 1.00 0.22 C ATOM 414 SD MET A 27 3.659 -14.755 24.294 1.00 64.22 S ATOM 415 CE MET A 27 2.574 -15.623 23.167 1.00 63.32 C ATOM 0 H MET A 27 7.404 -16.743 24.477 1.00 45.13 H new ATOM 0 HA MET A 27 7.224 -16.287 27.287 1.00 4.30 H new ATOM 0 HB2 MET A 27 5.092 -15.287 26.790 1.00 74.30 H new ATOM 0 HB3 MET A 27 6.264 -14.786 25.588 1.00 74.30 H new ATOM 0 HG2 MET A 27 5.328 -16.452 23.993 1.00 0.22 H new ATOM 0 HG3 MET A 27 4.142 -16.925 25.194 1.00 0.22 H new ATOM 0 HE1 MET A 27 2.771 -15.295 22.147 1.00 63.32 H new ATOM 0 HE2 MET A 27 2.752 -16.696 23.244 1.00 63.32 H new ATOM 0 HE3 MET A 27 1.536 -15.408 23.423 1.00 63.32 H new ATOM 425 N LEU A 28 5.764 -18.966 26.123 1.00 42.05 N ATOM 426 CA LEU A 28 5.167 -20.247 26.528 1.00 52.14 C ATOM 427 C LEU A 28 6.102 -21.016 27.484 1.00 73.34 C ATOM 428 O LEU A 28 5.683 -21.947 28.170 1.00 22.11 O ATOM 429 CB LEU A 28 4.858 -21.097 25.285 1.00 71.13 C ATOM 430 CG LEU A 28 4.138 -22.433 25.548 1.00 11.41 C ATOM 431 CD1 LEU A 28 2.739 -22.191 26.111 1.00 12.21 C ATOM 432 CD2 LEU A 28 4.071 -23.275 24.274 1.00 25.33 C ATOM 0 H LEU A 28 6.052 -18.930 25.145 1.00 42.05 H new ATOM 0 HA LEU A 28 4.238 -20.041 27.060 1.00 52.14 H new ATOM 0 HB2 LEU A 28 4.246 -20.504 24.606 1.00 71.13 H new ATOM 0 HB3 LEU A 28 5.795 -21.306 24.769 1.00 71.13 H new ATOM 0 HG LEU A 28 4.713 -22.987 26.290 1.00 11.41 H new ATOM 0 HD11 LEU A 28 2.248 -23.148 26.289 1.00 12.21 H new ATOM 0 HD12 LEU A 28 2.814 -21.641 27.049 1.00 12.21 H new ATOM 0 HD13 LEU A 28 2.155 -21.611 25.397 1.00 12.21 H new ATOM 0 HD21 LEU A 28 3.558 -24.214 24.485 1.00 25.33 H new ATOM 0 HD22 LEU A 28 3.526 -22.728 23.505 1.00 25.33 H new ATOM 0 HD23 LEU A 28 5.081 -23.484 23.923 1.00 25.33 H new ATOM 444 N ASN A 29 7.384 -20.641 27.493 1.00 40.24 N ATOM 445 CA ASN A 29 8.347 -21.175 28.469 1.00 1.20 C ATOM 446 C ASN A 29 8.463 -20.245 29.689 1.00 23.15 C ATOM 447 O ASN A 29 8.755 -20.689 30.801 1.00 5.53 O ATOM 448 CB ASN A 29 9.727 -21.372 27.825 1.00 41.15 C ATOM 449 CG ASN A 29 9.759 -22.517 26.824 1.00 61.44 C ATOM 450 OD1 ASN A 29 8.670 -22.738 26.110 1.00 63.12 O flip ATOM 451 ND2 ASN A 29 10.769 -23.196 26.682 1.00 65.25 N flip ATOM 0 H ASN A 29 7.782 -19.970 26.837 1.00 40.24 H new ATOM 0 HA ASN A 29 7.978 -22.144 28.804 1.00 1.20 H new ATOM 0 HB2 ASN A 29 10.023 -20.450 27.324 1.00 41.15 H new ATOM 0 HB3 ASN A 29 10.463 -21.560 28.607 1.00 41.15 H new ATOM 0 HD21 ASN A 29 11.596 -23.004 27.247 1.00 65.25 H new ATOM 0 HD22 ASN A 29 10.782 -23.954 25.999 1.00 65.25 H new ATOM 458 N ARG A 30 8.248 -18.948 29.462 1.00 74.23 N ATOM 459 CA ARG A 30 8.184 -17.961 30.548 1.00 32.43 C ATOM 460 C ARG A 30 7.036 -18.299 31.512 1.00 32.24 C ATOM 461 O ARG A 30 7.155 -18.144 32.730 1.00 54.11 O ATOM 462 CB ARG A 30 7.999 -16.551 29.962 1.00 71.54 C ATOM 463 CG ARG A 30 7.832 -15.447 31.005 1.00 34.32 C ATOM 464 CD ARG A 30 9.036 -15.342 31.940 1.00 43.11 C ATOM 465 NE ARG A 30 8.894 -14.237 32.891 1.00 32.24 N ATOM 466 CZ ARG A 30 9.415 -14.218 34.088 1.00 53.02 C ATOM 467 NH1 ARG A 30 10.076 -15.238 34.535 1.00 33.04 N ATOM 468 NH2 ARG A 30 9.264 -13.178 34.840 1.00 11.14 N ATOM 0 H ARG A 30 8.114 -18.552 28.531 1.00 74.23 H new ATOM 0 HA ARG A 30 9.119 -17.989 31.108 1.00 32.43 H new ATOM 0 HB2 ARG A 30 8.860 -16.315 29.337 1.00 71.54 H new ATOM 0 HB3 ARG A 30 7.124 -16.554 29.311 1.00 71.54 H new ATOM 0 HG2 ARG A 30 7.684 -14.493 30.499 1.00 34.32 H new ATOM 0 HG3 ARG A 30 6.934 -15.639 31.593 1.00 34.32 H new ATOM 0 HD2 ARG A 30 9.154 -16.278 32.486 1.00 43.11 H new ATOM 0 HD3 ARG A 30 9.942 -15.200 31.351 1.00 43.11 H new ATOM 0 HE ARG A 30 8.350 -13.426 32.598 1.00 32.24 H new ATOM 0 HH11 ARG A 30 10.193 -16.066 33.951 1.00 33.04 H new ATOM 0 HH12 ARG A 30 10.479 -15.214 35.472 1.00 33.04 H new ATOM 0 HH21 ARG A 30 8.738 -12.373 34.498 1.00 11.14 H new ATOM 0 HH22 ARG A 30 9.670 -13.162 35.775 1.00 11.14 H new ATOM 482 N TYR A 31 5.922 -18.749 30.948 1.00 53.41 N ATOM 483 CA TYR A 31 4.802 -19.263 31.735 1.00 51.54 C ATOM 484 C TYR A 31 4.834 -20.795 31.776 1.00 22.42 C ATOM 485 O TYR A 31 4.678 -21.458 30.752 1.00 41.54 O ATOM 486 CB TYR A 31 3.471 -18.779 31.153 1.00 62.35 C ATOM 487 CG TYR A 31 3.257 -17.285 31.292 1.00 43.04 C ATOM 488 CD1 TYR A 31 2.700 -16.750 32.449 1.00 60.43 C ATOM 489 CD2 TYR A 31 3.615 -16.411 30.271 1.00 2.54 C ATOM 490 CE1 TYR A 31 2.504 -15.389 32.581 1.00 70.31 C ATOM 491 CE2 TYR A 31 3.421 -15.050 30.398 1.00 73.40 C ATOM 492 CZ TYR A 31 2.866 -14.543 31.556 1.00 41.11 C ATOM 493 OH TYR A 31 2.676 -13.186 31.691 1.00 63.23 O ATOM 0 H TYR A 31 5.767 -18.769 29.940 1.00 53.41 H new ATOM 0 HA TYR A 31 4.896 -18.884 32.753 1.00 51.54 H new ATOM 0 HB2 TYR A 31 3.426 -19.048 30.098 1.00 62.35 H new ATOM 0 HB3 TYR A 31 2.654 -19.303 31.650 1.00 62.35 H new ATOM 0 HD1 TYR A 31 2.416 -17.409 33.256 1.00 60.43 H new ATOM 0 HD2 TYR A 31 4.052 -16.803 29.364 1.00 2.54 H new ATOM 0 HE1 TYR A 31 2.068 -14.990 33.485 1.00 70.31 H new ATOM 0 HE2 TYR A 31 3.702 -14.385 29.595 1.00 73.40 H new ATOM 0 HH TYR A 31 2.748 -12.757 30.813 1.00 63.23 H new ATOM 503 N ARG A 32 5.038 -21.344 32.968 1.00 22.24 N ATOM 504 CA ARG A 32 5.131 -22.796 33.154 1.00 71.21 C ATOM 505 C ARG A 32 3.805 -23.494 32.788 1.00 30.21 C ATOM 506 O ARG A 32 2.750 -22.856 32.763 1.00 70.25 O ATOM 507 CB ARG A 32 5.502 -23.100 34.615 1.00 52.11 C ATOM 508 CG ARG A 32 6.843 -22.514 35.046 1.00 75.41 C ATOM 509 CD ARG A 32 6.990 -22.505 36.563 1.00 4.43 C ATOM 510 NE ARG A 32 5.958 -21.686 37.197 1.00 64.21 N ATOM 511 CZ ARG A 32 6.073 -21.134 38.373 1.00 63.11 C ATOM 512 NH1 ARG A 32 7.124 -21.334 39.101 1.00 72.03 N ATOM 513 NH2 ARG A 32 5.121 -20.389 38.828 1.00 64.32 N ATOM 0 H ARG A 32 5.143 -20.806 33.828 1.00 22.24 H new ATOM 0 HA ARG A 32 5.904 -23.181 32.489 1.00 71.21 H new ATOM 0 HB2 ARG A 32 4.720 -22.711 35.267 1.00 52.11 H new ATOM 0 HB3 ARG A 32 5.526 -24.181 34.756 1.00 52.11 H new ATOM 0 HG2 ARG A 32 7.653 -23.095 34.605 1.00 75.41 H new ATOM 0 HG3 ARG A 32 6.936 -21.497 34.665 1.00 75.41 H new ATOM 0 HD2 ARG A 32 6.929 -23.525 36.941 1.00 4.43 H new ATOM 0 HD3 ARG A 32 7.975 -22.123 36.832 1.00 4.43 H new ATOM 0 HE ARG A 32 5.089 -21.536 36.685 1.00 64.21 H new ATOM 0 HH11 ARG A 32 7.877 -21.930 38.757 1.00 72.03 H new ATOM 0 HH12 ARG A 32 7.200 -20.895 40.019 1.00 72.03 H new ATOM 0 HH21 ARG A 32 4.283 -20.234 38.268 1.00 64.32 H new ATOM 0 HH22 ARG A 32 5.208 -19.956 39.747 1.00 64.32 H new ATOM 527 N PRO A 33 3.830 -24.822 32.520 1.00 60.22 N ATOM 528 CA PRO A 33 2.614 -25.592 32.163 1.00 40.21 C ATOM 529 C PRO A 33 1.565 -25.681 33.297 1.00 41.11 C ATOM 530 O PRO A 33 0.760 -26.617 33.333 1.00 35.42 O ATOM 531 CB PRO A 33 3.169 -26.989 31.824 1.00 73.34 C ATOM 532 CG PRO A 33 4.475 -27.066 32.540 1.00 12.24 C ATOM 533 CD PRO A 33 5.037 -25.673 32.516 1.00 24.14 C ATOM 0 HA PRO A 33 2.071 -25.111 31.349 1.00 40.21 H new ATOM 0 HB2 PRO A 33 2.490 -27.775 32.155 1.00 73.34 H new ATOM 0 HB3 PRO A 33 3.300 -27.112 30.749 1.00 73.34 H new ATOM 0 HG2 PRO A 33 4.340 -27.416 33.564 1.00 12.24 H new ATOM 0 HG3 PRO A 33 5.149 -27.768 32.050 1.00 12.24 H new ATOM 0 HD2 PRO A 33 5.669 -25.479 33.382 1.00 24.14 H new ATOM 0 HD3 PRO A 33 5.648 -25.501 31.630 1.00 24.14 H new ATOM 541 N GLY A 34 1.572 -24.709 34.208 1.00 3.42 N ATOM 542 CA GLY A 34 0.557 -24.629 35.249 1.00 14.22 C ATOM 543 C GLY A 34 0.321 -23.200 35.730 1.00 63.33 C ATOM 544 O GLY A 34 -0.128 -22.980 36.857 1.00 61.24 O ATOM 0 H GLY A 34 2.271 -23.967 34.243 1.00 3.42 H new ATOM 0 HA2 GLY A 34 -0.379 -25.040 34.871 1.00 14.22 H new ATOM 0 HA3 GLY A 34 0.859 -25.248 36.094 1.00 14.22 H new ATOM 548 N ASP A 35 0.621 -22.225 34.873 1.00 3.31 N ATOM 549 CA ASP A 35 0.478 -20.805 35.221 1.00 33.22 C ATOM 550 C ASP A 35 -0.541 -20.085 34.320 1.00 2.34 C ATOM 551 O ASP A 35 -0.890 -20.562 33.237 1.00 50.40 O ATOM 552 CB ASP A 35 1.840 -20.102 35.137 1.00 72.11 C ATOM 553 CG ASP A 35 2.760 -20.486 36.283 1.00 54.54 C ATOM 554 OD1 ASP A 35 3.249 -21.630 36.307 1.00 2.42 O ATOM 555 OD2 ASP A 35 2.993 -19.644 37.176 1.00 31.24 O ATOM 0 H ASP A 35 0.966 -22.390 33.928 1.00 3.31 H new ATOM 0 HA ASP A 35 0.102 -20.757 36.243 1.00 33.22 H new ATOM 0 HB2 ASP A 35 2.318 -20.354 34.190 1.00 72.11 H new ATOM 0 HB3 ASP A 35 1.690 -19.022 35.141 1.00 72.11 H new ATOM 560 N ILE A 36 -1.009 -18.929 34.788 1.00 53.22 N ATOM 561 CA ILE A 36 -1.973 -18.114 34.042 1.00 25.22 C ATOM 562 C ILE A 36 -1.266 -16.988 33.267 1.00 74.32 C ATOM 563 O ILE A 36 -0.419 -16.279 33.813 1.00 70.24 O ATOM 564 CB ILE A 36 -3.036 -17.495 34.994 1.00 65.45 C ATOM 565 CG1 ILE A 36 -3.773 -18.600 35.775 1.00 74.31 C ATOM 566 CG2 ILE A 36 -4.030 -16.630 34.218 1.00 35.52 C ATOM 567 CD1 ILE A 36 -4.497 -19.601 34.898 1.00 34.13 C ATOM 0 H ILE A 36 -0.735 -18.532 35.687 1.00 53.22 H new ATOM 0 HA ILE A 36 -2.472 -18.774 33.332 1.00 25.22 H new ATOM 0 HB ILE A 36 -2.518 -16.855 35.708 1.00 65.45 H new ATOM 0 HG12 ILE A 36 -3.053 -19.132 36.397 1.00 74.31 H new ATOM 0 HG13 ILE A 36 -4.493 -18.135 36.448 1.00 74.31 H new ATOM 0 HG21 ILE A 36 -4.762 -16.210 34.907 1.00 35.52 H new ATOM 0 HG22 ILE A 36 -3.496 -15.822 33.718 1.00 35.52 H new ATOM 0 HG23 ILE A 36 -4.541 -17.241 33.474 1.00 35.52 H new ATOM 0 HD11 ILE A 36 -4.989 -20.345 35.525 1.00 34.13 H new ATOM 0 HD12 ILE A 36 -5.243 -19.084 34.295 1.00 34.13 H new ATOM 0 HD13 ILE A 36 -3.780 -20.096 34.243 1.00 34.13 H new ATOM 579 N VAL A 37 -1.622 -16.830 31.996 1.00 40.40 N ATOM 580 CA VAL A 37 -1.031 -15.797 31.142 1.00 25.13 C ATOM 581 C VAL A 37 -1.538 -14.397 31.536 1.00 10.15 C ATOM 582 O VAL A 37 -2.746 -14.170 31.628 1.00 51.51 O ATOM 583 CB VAL A 37 -1.352 -16.060 29.649 1.00 62.30 C ATOM 584 CG1 VAL A 37 -0.697 -15.013 28.753 1.00 34.44 C ATOM 585 CG2 VAL A 37 -0.923 -17.471 29.246 1.00 14.14 C ATOM 0 H VAL A 37 -2.322 -17.407 31.529 1.00 40.40 H new ATOM 0 HA VAL A 37 0.049 -15.836 31.285 1.00 25.13 H new ATOM 0 HB VAL A 37 -2.431 -15.981 29.516 1.00 62.30 H new ATOM 0 HG11 VAL A 37 -0.939 -15.223 27.711 1.00 34.44 H new ATOM 0 HG12 VAL A 37 -1.067 -14.023 29.020 1.00 34.44 H new ATOM 0 HG13 VAL A 37 0.384 -15.044 28.887 1.00 34.44 H new ATOM 0 HG21 VAL A 37 -1.157 -17.636 28.194 1.00 14.14 H new ATOM 0 HG22 VAL A 37 0.150 -17.583 29.401 1.00 14.14 H new ATOM 0 HG23 VAL A 37 -1.456 -18.201 29.855 1.00 14.14 H new ATOM 595 N SER A 38 -0.609 -13.463 31.762 1.00 14.15 N ATOM 596 CA SER A 38 -0.960 -12.101 32.199 1.00 42.21 C ATOM 597 C SER A 38 -1.591 -11.274 31.063 1.00 41.31 C ATOM 598 O SER A 38 -1.707 -11.740 29.928 1.00 0.12 O ATOM 599 CB SER A 38 0.280 -11.377 32.748 1.00 11.51 C ATOM 600 OG SER A 38 -0.057 -10.111 33.300 1.00 64.52 O ATOM 0 H SER A 38 0.392 -13.622 31.651 1.00 14.15 H new ATOM 0 HA SER A 38 -1.703 -12.198 32.991 1.00 42.21 H new ATOM 0 HB2 SER A 38 0.754 -11.993 33.512 1.00 11.51 H new ATOM 0 HB3 SER A 38 1.009 -11.244 31.948 1.00 11.51 H new ATOM 0 HG SER A 38 0.753 -9.677 33.642 1.00 64.52 H new ATOM 606 N THR A 39 -1.973 -10.036 31.376 1.00 40.45 N ATOM 607 CA THR A 39 -2.711 -9.170 30.438 1.00 2.24 C ATOM 608 C THR A 39 -1.934 -8.894 29.138 1.00 43.12 C ATOM 609 O THR A 39 -2.482 -9.026 28.046 1.00 51.35 O ATOM 610 CB THR A 39 -3.083 -7.819 31.099 1.00 35.42 C ATOM 611 OG1 THR A 39 -3.854 -8.052 32.287 1.00 21.54 O ATOM 612 CG2 THR A 39 -3.879 -6.931 30.145 1.00 64.20 C ATOM 0 H THR A 39 -1.784 -9.601 32.279 1.00 40.45 H new ATOM 0 HA THR A 39 -3.616 -9.719 30.180 1.00 2.24 H new ATOM 0 HB THR A 39 -2.155 -7.306 31.352 1.00 35.42 H new ATOM 0 HG1 THR A 39 -4.084 -7.194 32.701 1.00 21.54 H new ATOM 0 HG21 THR A 39 -4.123 -5.992 30.641 1.00 64.20 H new ATOM 0 HG22 THR A 39 -3.283 -6.727 29.255 1.00 64.20 H new ATOM 0 HG23 THR A 39 -4.799 -7.439 29.857 1.00 64.20 H new ATOM 620 N VAL A 40 -0.662 -8.510 29.258 1.00 33.43 N ATOM 621 CA VAL A 40 0.166 -8.177 28.084 1.00 70.31 C ATOM 622 C VAL A 40 0.285 -9.362 27.109 1.00 34.34 C ATOM 623 O VAL A 40 -0.090 -9.261 25.935 1.00 14.02 O ATOM 624 CB VAL A 40 1.589 -7.725 28.503 1.00 74.52 C ATOM 625 CG1 VAL A 40 2.443 -7.400 27.277 1.00 1.01 C ATOM 626 CG2 VAL A 40 1.518 -6.525 29.443 1.00 74.23 C ATOM 0 H VAL A 40 -0.178 -8.420 30.151 1.00 33.43 H new ATOM 0 HA VAL A 40 -0.340 -7.355 27.579 1.00 70.31 H new ATOM 0 HB VAL A 40 2.062 -8.550 29.035 1.00 74.52 H new ATOM 0 HG11 VAL A 40 3.436 -7.086 27.598 1.00 1.01 H new ATOM 0 HG12 VAL A 40 2.529 -8.286 26.648 1.00 1.01 H new ATOM 0 HG13 VAL A 40 1.974 -6.596 26.710 1.00 1.01 H new ATOM 0 HG21 VAL A 40 2.527 -6.224 29.725 1.00 74.23 H new ATOM 0 HG22 VAL A 40 1.019 -5.697 28.939 1.00 74.23 H new ATOM 0 HG23 VAL A 40 0.957 -6.796 30.337 1.00 74.23 H new ATOM 636 N ASP A 41 0.816 -10.478 27.600 1.00 72.43 N ATOM 637 CA ASP A 41 0.967 -11.694 26.793 1.00 31.51 C ATOM 638 C ASP A 41 -0.402 -12.214 26.317 1.00 72.14 C ATOM 639 O ASP A 41 -0.547 -12.679 25.184 1.00 43.14 O ATOM 640 CB ASP A 41 1.687 -12.766 27.615 1.00 43.43 C ATOM 641 CG ASP A 41 2.937 -12.227 28.287 1.00 53.35 C ATOM 642 OD1 ASP A 41 2.809 -11.595 29.356 1.00 73.42 O ATOM 643 OD2 ASP A 41 4.049 -12.428 27.756 1.00 71.21 O ATOM 0 H ASP A 41 1.152 -10.570 28.559 1.00 72.43 H new ATOM 0 HA ASP A 41 1.559 -11.456 25.909 1.00 31.51 H new ATOM 0 HB2 ASP A 41 1.009 -13.157 28.373 1.00 43.43 H new ATOM 0 HB3 ASP A 41 1.956 -13.600 26.966 1.00 43.43 H new ATOM 648 N GLY A 42 -1.403 -12.119 27.193 1.00 42.24 N ATOM 649 CA GLY A 42 -2.760 -12.523 26.841 1.00 22.23 C ATOM 650 C GLY A 42 -3.349 -11.697 25.700 1.00 5.54 C ATOM 651 O GLY A 42 -3.975 -12.242 24.792 1.00 40.30 O ATOM 0 H GLY A 42 -1.299 -11.768 28.145 1.00 42.24 H new ATOM 0 HA2 GLY A 42 -2.758 -13.575 26.558 1.00 22.23 H new ATOM 0 HA3 GLY A 42 -3.400 -12.430 27.718 1.00 22.23 H new ATOM 655 N ALA A 43 -3.138 -10.382 25.746 1.00 15.33 N ATOM 656 CA ALA A 43 -3.612 -9.476 24.693 1.00 75.13 C ATOM 657 C ALA A 43 -3.033 -9.860 23.326 1.00 32.05 C ATOM 658 O ALA A 43 -3.727 -9.807 22.307 1.00 31.21 O ATOM 659 CB ALA A 43 -3.257 -8.034 25.034 1.00 63.12 C ATOM 0 H ALA A 43 -2.640 -9.916 26.504 1.00 15.33 H new ATOM 0 HA ALA A 43 -4.697 -9.567 24.635 1.00 75.13 H new ATOM 0 HB1 ALA A 43 -3.615 -7.374 24.244 1.00 63.12 H new ATOM 0 HB2 ALA A 43 -3.726 -7.757 25.978 1.00 63.12 H new ATOM 0 HB3 ALA A 43 -2.175 -7.937 25.125 1.00 63.12 H new ATOM 665 N PHE A 44 -1.757 -10.251 23.315 1.00 32.34 N ATOM 666 CA PHE A 44 -1.107 -10.743 22.096 1.00 1.11 C ATOM 667 C PHE A 44 -1.860 -11.962 21.539 1.00 62.22 C ATOM 668 O PHE A 44 -2.052 -12.093 20.329 1.00 14.12 O ATOM 669 CB PHE A 44 0.359 -11.105 22.391 1.00 24.12 C ATOM 670 CG PHE A 44 1.134 -11.592 21.189 1.00 32.14 C ATOM 671 CD1 PHE A 44 1.743 -10.691 20.328 1.00 24.32 C ATOM 672 CD2 PHE A 44 1.254 -12.949 20.923 1.00 34.02 C ATOM 673 CE1 PHE A 44 2.456 -11.133 19.229 1.00 12.51 C ATOM 674 CE2 PHE A 44 1.964 -13.396 19.826 1.00 30.03 C ATOM 675 CZ PHE A 44 2.566 -12.487 18.976 1.00 12.42 C ATOM 0 H PHE A 44 -1.152 -10.237 24.136 1.00 32.34 H new ATOM 0 HA PHE A 44 -1.129 -9.954 21.344 1.00 1.11 H new ATOM 0 HB2 PHE A 44 0.861 -10.229 22.802 1.00 24.12 H new ATOM 0 HB3 PHE A 44 0.383 -11.877 23.161 1.00 24.12 H new ATOM 0 HD1 PHE A 44 1.659 -9.631 20.518 1.00 24.32 H new ATOM 0 HD2 PHE A 44 0.786 -13.665 21.583 1.00 34.02 H new ATOM 0 HE1 PHE A 44 2.927 -10.420 18.568 1.00 12.51 H new ATOM 0 HE2 PHE A 44 2.049 -14.455 19.632 1.00 30.03 H new ATOM 0 HZ PHE A 44 3.121 -12.834 18.117 1.00 12.42 H new ATOM 685 N LEU A 45 -2.288 -12.843 22.443 1.00 12.52 N ATOM 686 CA LEU A 45 -3.077 -14.024 22.076 1.00 25.20 C ATOM 687 C LEU A 45 -4.474 -13.628 21.569 1.00 3.14 C ATOM 688 O LEU A 45 -4.970 -14.188 20.591 1.00 34.14 O ATOM 689 CB LEU A 45 -3.201 -14.961 23.286 1.00 2.23 C ATOM 690 CG LEU A 45 -1.870 -15.523 23.815 1.00 15.14 C ATOM 691 CD1 LEU A 45 -2.080 -16.264 25.133 1.00 64.22 C ATOM 692 CD2 LEU A 45 -1.226 -16.441 22.777 1.00 4.50 C ATOM 0 H LEU A 45 -2.101 -12.762 23.442 1.00 12.52 H new ATOM 0 HA LEU A 45 -2.561 -14.541 21.266 1.00 25.20 H new ATOM 0 HB2 LEU A 45 -3.697 -14.423 24.094 1.00 2.23 H new ATOM 0 HB3 LEU A 45 -3.848 -15.795 23.015 1.00 2.23 H new ATOM 0 HG LEU A 45 -1.196 -14.687 24.000 1.00 15.14 H new ATOM 0 HD11 LEU A 45 -1.126 -16.653 25.488 1.00 64.22 H new ATOM 0 HD12 LEU A 45 -2.491 -15.579 25.874 1.00 64.22 H new ATOM 0 HD13 LEU A 45 -2.774 -17.091 24.979 1.00 64.22 H new ATOM 0 HD21 LEU A 45 -0.286 -16.829 23.168 1.00 4.50 H new ATOM 0 HD22 LEU A 45 -1.898 -17.271 22.558 1.00 4.50 H new ATOM 0 HD23 LEU A 45 -1.034 -15.879 21.863 1.00 4.50 H new ATOM 704 N VAL A 46 -5.102 -12.661 22.240 1.00 52.13 N ATOM 705 CA VAL A 46 -6.419 -12.157 21.826 1.00 1.41 C ATOM 706 C VAL A 46 -6.385 -11.634 20.380 1.00 20.31 C ATOM 707 O VAL A 46 -7.244 -11.972 19.564 1.00 73.12 O ATOM 708 CB VAL A 46 -6.920 -11.026 22.764 1.00 53.11 C ATOM 709 CG1 VAL A 46 -8.271 -10.484 22.298 1.00 13.12 C ATOM 710 CG2 VAL A 46 -7.013 -11.512 24.209 1.00 74.13 C ATOM 0 H VAL A 46 -4.723 -12.209 23.072 1.00 52.13 H new ATOM 0 HA VAL A 46 -7.109 -12.998 21.889 1.00 1.41 H new ATOM 0 HB VAL A 46 -6.192 -10.216 22.721 1.00 53.11 H new ATOM 0 HG11 VAL A 46 -8.598 -9.693 22.973 1.00 13.12 H new ATOM 0 HG12 VAL A 46 -8.174 -10.083 21.289 1.00 13.12 H new ATOM 0 HG13 VAL A 46 -9.006 -11.289 22.299 1.00 13.12 H new ATOM 0 HG21 VAL A 46 -7.366 -10.700 24.844 1.00 74.13 H new ATOM 0 HG22 VAL A 46 -7.710 -12.348 24.268 1.00 74.13 H new ATOM 0 HG23 VAL A 46 -6.029 -11.836 24.548 1.00 74.13 H new ATOM 720 N GLU A 47 -5.381 -10.819 20.065 1.00 4.42 N ATOM 721 CA GLU A 47 -5.202 -10.300 18.704 1.00 22.01 C ATOM 722 C GLU A 47 -4.876 -11.441 17.726 1.00 14.41 C ATOM 723 O GLU A 47 -5.423 -11.510 16.621 1.00 62.01 O ATOM 724 CB GLU A 47 -4.085 -9.250 18.676 1.00 64.01 C ATOM 725 CG GLU A 47 -4.296 -8.086 19.640 1.00 10.22 C ATOM 726 CD GLU A 47 -5.588 -7.322 19.388 1.00 71.24 C ATOM 727 OE1 GLU A 47 -5.770 -6.801 18.268 1.00 42.32 O ATOM 728 OE2 GLU A 47 -6.423 -7.225 20.313 1.00 53.00 O ATOM 0 H GLU A 47 -4.677 -10.502 20.731 1.00 4.42 H new ATOM 0 HA GLU A 47 -6.136 -9.831 18.392 1.00 22.01 H new ATOM 0 HB2 GLU A 47 -3.139 -9.736 18.913 1.00 64.01 H new ATOM 0 HB3 GLU A 47 -3.997 -8.857 17.663 1.00 64.01 H new ATOM 0 HG2 GLU A 47 -4.300 -8.466 20.662 1.00 10.22 H new ATOM 0 HG3 GLU A 47 -3.454 -7.399 19.559 1.00 10.22 H new ATOM 735 N ALA A 48 -3.987 -12.341 18.151 1.00 12.22 N ATOM 736 CA ALA A 48 -3.633 -13.528 17.360 1.00 21.41 C ATOM 737 C ALA A 48 -4.856 -14.427 17.117 1.00 32.24 C ATOM 738 O ALA A 48 -4.893 -15.199 16.157 1.00 11.01 O ATOM 739 CB ALA A 48 -2.522 -14.316 18.049 1.00 3.20 C ATOM 0 H ALA A 48 -3.496 -12.272 19.042 1.00 12.22 H new ATOM 0 HA ALA A 48 -3.273 -13.186 16.390 1.00 21.41 H new ATOM 0 HB1 ALA A 48 -2.272 -15.192 17.450 1.00 3.20 H new ATOM 0 HB2 ALA A 48 -1.640 -13.685 18.155 1.00 3.20 H new ATOM 0 HB3 ALA A 48 -2.860 -14.635 19.035 1.00 3.20 H new ATOM 745 N LEU A 49 -5.846 -14.326 18.000 1.00 63.43 N ATOM 746 CA LEU A 49 -7.114 -15.042 17.842 1.00 52.52 C ATOM 747 C LEU A 49 -8.057 -14.294 16.880 1.00 34.34 C ATOM 748 O LEU A 49 -8.610 -14.889 15.952 1.00 41.32 O ATOM 749 CB LEU A 49 -7.788 -15.224 19.210 1.00 14.31 C ATOM 750 CG LEU A 49 -9.143 -15.955 19.191 1.00 52.05 C ATOM 751 CD1 LEU A 49 -8.998 -17.360 18.611 1.00 12.45 C ATOM 752 CD2 LEU A 49 -9.740 -16.010 20.595 1.00 3.21 C ATOM 0 H LEU A 49 -5.795 -13.750 18.841 1.00 63.43 H new ATOM 0 HA LEU A 49 -6.902 -16.022 17.414 1.00 52.52 H new ATOM 0 HB2 LEU A 49 -7.108 -15.774 19.860 1.00 14.31 H new ATOM 0 HB3 LEU A 49 -7.932 -14.241 19.658 1.00 14.31 H new ATOM 0 HG LEU A 49 -9.822 -15.395 18.549 1.00 52.05 H new ATOM 0 HD11 LEU A 49 -9.969 -17.855 18.609 1.00 12.45 H new ATOM 0 HD12 LEU A 49 -8.622 -17.295 17.590 1.00 12.45 H new ATOM 0 HD13 LEU A 49 -8.300 -17.934 19.219 1.00 12.45 H new ATOM 0 HD21 LEU A 49 -10.697 -16.530 20.563 1.00 3.21 H new ATOM 0 HD22 LEU A 49 -9.060 -16.543 21.259 1.00 3.21 H new ATOM 0 HD23 LEU A 49 -9.890 -14.996 20.967 1.00 3.21 H new ATOM 764 N LYS A 50 -8.209 -12.983 17.098 1.00 11.11 N ATOM 765 CA LYS A 50 -9.108 -12.132 16.292 1.00 2.11 C ATOM 766 C LYS A 50 -8.837 -12.227 14.781 1.00 10.24 C ATOM 767 O LYS A 50 -9.738 -12.016 13.969 1.00 53.43 O ATOM 768 CB LYS A 50 -8.975 -10.664 16.725 1.00 5.14 C ATOM 769 CG LYS A 50 -9.573 -10.353 18.092 1.00 13.41 C ATOM 770 CD LYS A 50 -9.325 -8.897 18.484 1.00 4.10 C ATOM 771 CE LYS A 50 -10.004 -8.537 19.797 1.00 15.11 C ATOM 772 NZ LYS A 50 -11.484 -8.616 19.700 1.00 71.50 N ATOM 0 H LYS A 50 -7.716 -12.478 17.835 1.00 11.11 H new ATOM 0 HA LYS A 50 -10.118 -12.500 16.472 1.00 2.11 H new ATOM 0 HB2 LYS A 50 -7.919 -10.395 16.735 1.00 5.14 H new ATOM 0 HB3 LYS A 50 -9.458 -10.033 15.979 1.00 5.14 H new ATOM 0 HG2 LYS A 50 -10.645 -10.551 18.077 1.00 13.41 H new ATOM 0 HG3 LYS A 50 -9.137 -11.014 18.842 1.00 13.41 H new ATOM 0 HD2 LYS A 50 -8.253 -8.722 18.571 1.00 4.10 H new ATOM 0 HD3 LYS A 50 -9.692 -8.241 17.694 1.00 4.10 H new ATOM 0 HE2 LYS A 50 -9.656 -9.210 20.581 1.00 15.11 H new ATOM 0 HE3 LYS A 50 -9.714 -7.528 20.090 1.00 15.11 H new ATOM 0 HZ1 LYS A 50 -11.911 -8.143 20.522 1.00 71.50 H new ATOM 0 HZ2 LYS A 50 -11.800 -8.147 18.828 1.00 71.50 H new ATOM 0 HZ3 LYS A 50 -11.778 -9.613 19.683 1.00 71.50 H new ATOM 786 N ARG A 51 -7.597 -12.522 14.406 1.00 1.43 N ATOM 787 CA ARG A 51 -7.218 -12.587 12.989 1.00 21.53 C ATOM 788 C ARG A 51 -7.834 -13.814 12.278 1.00 12.02 C ATOM 789 O ARG A 51 -7.851 -13.879 11.049 1.00 42.24 O ATOM 790 CB ARG A 51 -5.685 -12.606 12.855 1.00 34.41 C ATOM 791 CG ARG A 51 -5.044 -13.927 13.269 1.00 12.02 C ATOM 792 CD ARG A 51 -3.524 -13.828 13.380 1.00 5.13 C ATOM 793 NE ARG A 51 -2.898 -13.232 12.197 1.00 3.40 N ATOM 794 CZ ARG A 51 -2.331 -13.913 11.235 1.00 43.42 C ATOM 795 NH1 ARG A 51 -2.477 -15.196 11.154 1.00 2.30 N ATOM 796 NH2 ARG A 51 -1.664 -13.291 10.320 1.00 24.25 N ATOM 0 H ARG A 51 -6.836 -12.720 15.056 1.00 1.43 H new ATOM 0 HA ARG A 51 -7.615 -11.697 12.500 1.00 21.53 H new ATOM 0 HB2 ARG A 51 -5.418 -12.393 11.820 1.00 34.41 H new ATOM 0 HB3 ARG A 51 -5.267 -11.804 13.464 1.00 34.41 H new ATOM 0 HG2 ARG A 51 -5.456 -14.243 14.228 1.00 12.02 H new ATOM 0 HG3 ARG A 51 -5.303 -14.697 12.542 1.00 12.02 H new ATOM 0 HD2 ARG A 51 -3.268 -13.234 14.257 1.00 5.13 H new ATOM 0 HD3 ARG A 51 -3.112 -14.825 13.538 1.00 5.13 H new ATOM 0 HE ARG A 51 -2.905 -12.215 12.118 1.00 3.40 H new ATOM 0 HH11 ARG A 51 -3.040 -15.690 11.846 1.00 2.30 H new ATOM 0 HH12 ARG A 51 -2.029 -15.714 10.398 1.00 2.30 H new ATOM 0 HH21 ARG A 51 -1.582 -12.275 10.351 1.00 24.25 H new ATOM 0 HH22 ARG A 51 -1.219 -13.816 9.567 1.00 24.25 H new ATOM 810 N HIS A 52 -8.347 -14.773 13.056 1.00 42.14 N ATOM 811 CA HIS A 52 -8.906 -16.019 12.500 1.00 43.32 C ATOM 812 C HIS A 52 -10.420 -15.898 12.230 1.00 70.14 C ATOM 813 O HIS A 52 -11.134 -15.205 12.954 1.00 21.30 O ATOM 814 CB HIS A 52 -8.658 -17.189 13.462 1.00 0.23 C ATOM 815 CG HIS A 52 -7.225 -17.355 13.872 1.00 43.20 C ATOM 816 ND1 HIS A 52 -6.186 -17.475 12.975 1.00 11.11 N ATOM 817 CD2 HIS A 52 -6.660 -17.414 15.100 1.00 14.53 C ATOM 818 CE1 HIS A 52 -5.052 -17.604 13.631 1.00 42.14 C ATOM 819 NE2 HIS A 52 -5.307 -17.567 14.922 1.00 30.44 N ATOM 0 H HIS A 52 -8.389 -14.714 14.073 1.00 42.14 H new ATOM 0 HA HIS A 52 -8.402 -16.203 11.551 1.00 43.32 H new ATOM 0 HB2 HIS A 52 -9.265 -17.045 14.356 1.00 0.23 H new ATOM 0 HB3 HIS A 52 -8.998 -18.111 12.990 1.00 0.23 H new ATOM 0 HD2 HIS A 52 -7.178 -17.352 16.046 1.00 14.53 H new ATOM 0 HE1 HIS A 52 -4.076 -17.721 13.185 1.00 42.14 H new ATOM 0 HE2 HIS A 52 -4.614 -17.640 15.667 1.00 30.44 H new ATOM 828 N PRO A 53 -10.942 -16.598 11.199 1.00 0.33 N ATOM 829 CA PRO A 53 -12.378 -16.552 10.863 1.00 25.54 C ATOM 830 C PRO A 53 -13.252 -17.275 11.905 1.00 43.23 C ATOM 831 O PRO A 53 -14.445 -17.000 12.033 1.00 1.24 O ATOM 832 CB PRO A 53 -12.444 -17.269 9.509 1.00 1.13 C ATOM 833 CG PRO A 53 -11.278 -18.201 9.521 1.00 70.44 C ATOM 834 CD PRO A 53 -10.192 -17.488 10.286 1.00 25.42 C ATOM 0 HA PRO A 53 -12.760 -15.532 10.841 1.00 25.54 H new ATOM 0 HB2 PRO A 53 -13.383 -17.810 9.392 1.00 1.13 H new ATOM 0 HB3 PRO A 53 -12.378 -16.562 8.682 1.00 1.13 H new ATOM 0 HG2 PRO A 53 -11.537 -19.146 9.999 1.00 70.44 H new ATOM 0 HG3 PRO A 53 -10.953 -18.435 8.507 1.00 70.44 H new ATOM 0 HD2 PRO A 53 -9.562 -18.188 10.835 1.00 25.42 H new ATOM 0 HD3 PRO A 53 -9.538 -16.923 9.622 1.00 25.42 H new ATOM 842 N ASP A 54 -12.643 -18.196 12.646 1.00 60.03 N ATOM 843 CA ASP A 54 -13.339 -18.962 13.689 1.00 24.44 C ATOM 844 C ASP A 54 -13.207 -18.293 15.072 1.00 32.23 C ATOM 845 O ASP A 54 -13.628 -18.855 16.086 1.00 11.32 O ATOM 846 CB ASP A 54 -12.774 -20.388 13.731 1.00 34.21 C ATOM 847 CG ASP A 54 -11.266 -20.404 13.937 1.00 42.25 C ATOM 848 OD1 ASP A 54 -10.533 -19.953 13.032 1.00 65.53 O ATOM 849 OD2 ASP A 54 -10.806 -20.867 15.002 1.00 24.41 O ATOM 0 H ASP A 54 -11.657 -18.436 12.545 1.00 60.03 H new ATOM 0 HA ASP A 54 -14.401 -18.992 13.444 1.00 24.44 H new ATOM 0 HB2 ASP A 54 -13.255 -20.944 14.536 1.00 34.21 H new ATOM 0 HB3 ASP A 54 -13.017 -20.901 12.800 1.00 34.21 H new ATOM 854 N ALA A 55 -12.644 -17.083 15.092 1.00 33.14 N ATOM 855 CA ALA A 55 -12.388 -16.345 16.338 1.00 21.03 C ATOM 856 C ALA A 55 -13.622 -16.263 17.253 1.00 44.23 C ATOM 857 O ALA A 55 -13.559 -16.645 18.422 1.00 52.21 O ATOM 858 CB ALA A 55 -11.887 -14.941 16.018 1.00 3.01 C ATOM 0 H ALA A 55 -12.353 -16.586 14.250 1.00 33.14 H new ATOM 0 HA ALA A 55 -11.625 -16.901 16.883 1.00 21.03 H new ATOM 0 HB1 ALA A 55 -11.700 -14.401 16.946 1.00 3.01 H new ATOM 0 HB2 ALA A 55 -10.963 -15.007 15.444 1.00 3.01 H new ATOM 0 HB3 ALA A 55 -12.640 -14.410 15.435 1.00 3.01 H new ATOM 864 N THR A 56 -14.742 -15.780 16.712 1.00 44.24 N ATOM 865 CA THR A 56 -15.965 -15.552 17.509 1.00 24.20 C ATOM 866 C THR A 56 -16.379 -16.783 18.337 1.00 62.40 C ATOM 867 O THR A 56 -16.900 -16.648 19.444 1.00 25.20 O ATOM 868 CB THR A 56 -17.159 -15.118 16.621 1.00 75.54 C ATOM 869 OG1 THR A 56 -18.307 -14.843 17.437 1.00 3.40 O ATOM 870 CG2 THR A 56 -17.516 -16.191 15.595 1.00 65.34 C ATOM 0 H THR A 56 -14.835 -15.537 15.726 1.00 44.24 H new ATOM 0 HA THR A 56 -15.712 -14.746 18.197 1.00 24.20 H new ATOM 0 HB THR A 56 -16.859 -14.217 16.086 1.00 75.54 H new ATOM 0 HG1 THR A 56 -19.055 -14.568 16.867 1.00 3.40 H new ATOM 0 HG21 THR A 56 -18.357 -15.851 14.991 1.00 65.34 H new ATOM 0 HG22 THR A 56 -16.658 -16.377 14.950 1.00 65.34 H new ATOM 0 HG23 THR A 56 -17.788 -17.112 16.111 1.00 65.34 H new ATOM 878 N SER A 57 -16.131 -17.984 17.813 1.00 11.14 N ATOM 879 CA SER A 57 -16.495 -19.225 18.519 1.00 70.20 C ATOM 880 C SER A 57 -15.558 -19.506 19.701 1.00 4.14 C ATOM 881 O SER A 57 -15.982 -20.016 20.742 1.00 34.13 O ATOM 882 CB SER A 57 -16.487 -20.419 17.553 1.00 21.44 C ATOM 883 OG SER A 57 -17.491 -20.281 16.558 1.00 3.10 O ATOM 0 H SER A 57 -15.683 -18.129 16.908 1.00 11.14 H new ATOM 0 HA SER A 57 -17.502 -19.087 18.913 1.00 70.20 H new ATOM 0 HB2 SER A 57 -15.509 -20.499 17.078 1.00 21.44 H new ATOM 0 HB3 SER A 57 -16.648 -21.342 18.110 1.00 21.44 H new ATOM 0 HG SER A 57 -17.463 -21.053 15.956 1.00 3.10 H new ATOM 889 N LYS A 58 -14.281 -19.180 19.537 1.00 30.11 N ATOM 890 CA LYS A 58 -13.290 -19.374 20.602 1.00 22.34 C ATOM 891 C LYS A 58 -13.296 -18.199 21.595 1.00 72.50 C ATOM 892 O LYS A 58 -12.792 -18.315 22.712 1.00 61.04 O ATOM 893 CB LYS A 58 -11.897 -19.576 19.992 1.00 2.12 C ATOM 894 CG LYS A 58 -11.776 -20.877 19.202 1.00 32.11 C ATOM 895 CD LYS A 58 -10.386 -21.070 18.605 1.00 22.33 C ATOM 896 CE LYS A 58 -10.225 -22.461 17.997 1.00 52.24 C ATOM 897 NZ LYS A 58 -11.270 -22.752 16.979 1.00 42.41 N ATOM 0 H LYS A 58 -13.902 -18.780 18.679 1.00 30.11 H new ATOM 0 HA LYS A 58 -13.558 -20.270 21.162 1.00 22.34 H new ATOM 0 HB2 LYS A 58 -11.668 -18.736 19.336 1.00 2.12 H new ATOM 0 HB3 LYS A 58 -11.153 -19.570 20.789 1.00 2.12 H new ATOM 0 HG2 LYS A 58 -12.007 -21.718 19.856 1.00 32.11 H new ATOM 0 HG3 LYS A 58 -12.516 -20.882 18.402 1.00 32.11 H new ATOM 0 HD2 LYS A 58 -10.210 -20.315 17.839 1.00 22.33 H new ATOM 0 HD3 LYS A 58 -9.633 -20.921 19.379 1.00 22.33 H new ATOM 0 HE2 LYS A 58 -9.240 -22.544 17.538 1.00 52.24 H new ATOM 0 HE3 LYS A 58 -10.272 -23.209 18.788 1.00 52.24 H new ATOM 0 HZ1 LYS A 58 -11.064 -23.662 16.520 1.00 42.41 H new ATOM 0 HZ2 LYS A 58 -12.201 -22.800 17.441 1.00 42.41 H new ATOM 0 HZ3 LYS A 58 -11.277 -21.998 16.263 1.00 42.41 H new ATOM 911 N ILE A 59 -13.869 -17.070 21.178 1.00 63.22 N ATOM 912 CA ILE A 59 -14.084 -15.927 22.075 1.00 64.22 C ATOM 913 C ILE A 59 -15.372 -16.118 22.892 1.00 21.02 C ATOM 914 O ILE A 59 -15.414 -15.831 24.092 1.00 65.14 O ATOM 915 CB ILE A 59 -14.170 -14.593 21.282 1.00 43.11 C ATOM 916 CG1 ILE A 59 -12.861 -14.345 20.510 1.00 1.23 C ATOM 917 CG2 ILE A 59 -14.482 -13.417 22.215 1.00 52.14 C ATOM 918 CD1 ILE A 59 -12.878 -13.103 19.640 1.00 31.21 C ATOM 0 H ILE A 59 -14.194 -16.919 20.223 1.00 63.22 H new ATOM 0 HA ILE A 59 -13.229 -15.876 22.750 1.00 64.22 H new ATOM 0 HB ILE A 59 -14.986 -14.674 20.564 1.00 43.11 H new ATOM 0 HG12 ILE A 59 -12.041 -14.264 21.224 1.00 1.23 H new ATOM 0 HG13 ILE A 59 -12.653 -15.212 19.883 1.00 1.23 H new ATOM 0 HG21 ILE A 59 -14.536 -12.496 21.634 1.00 52.14 H new ATOM 0 HG22 ILE A 59 -15.437 -13.590 22.712 1.00 52.14 H new ATOM 0 HG23 ILE A 59 -13.695 -13.328 22.964 1.00 52.14 H new ATOM 0 HD11 ILE A 59 -11.919 -13.002 19.131 1.00 31.21 H new ATOM 0 HD12 ILE A 59 -13.674 -13.188 18.900 1.00 31.21 H new ATOM 0 HD13 ILE A 59 -13.053 -12.225 20.262 1.00 31.21 H new ATOM 930 N GLY A 60 -16.419 -16.608 22.228 1.00 75.12 N ATOM 931 CA GLY A 60 -17.694 -16.850 22.891 1.00 14.13 C ATOM 932 C GLY A 60 -18.341 -15.574 23.421 1.00 4.41 C ATOM 933 O GLY A 60 -18.382 -14.561 22.718 1.00 54.43 O ATOM 0 H GLY A 60 -16.407 -16.843 21.236 1.00 75.12 H new ATOM 0 HA2 GLY A 60 -18.376 -17.333 22.191 1.00 14.13 H new ATOM 0 HA3 GLY A 60 -17.542 -17.544 23.717 1.00 14.13 H new ATOM 937 N PRO A 61 -18.858 -15.587 24.666 1.00 50.32 N ATOM 938 CA PRO A 61 -19.463 -14.399 25.286 1.00 31.15 C ATOM 939 C PRO A 61 -18.424 -13.426 25.874 1.00 42.43 C ATOM 940 O PRO A 61 -18.783 -12.405 26.465 1.00 55.52 O ATOM 941 CB PRO A 61 -20.329 -15.006 26.395 1.00 42.11 C ATOM 942 CG PRO A 61 -19.603 -16.244 26.802 1.00 60.43 C ATOM 943 CD PRO A 61 -18.919 -16.766 25.559 1.00 4.25 C ATOM 0 HA PRO A 61 -20.013 -13.795 24.564 1.00 31.15 H new ATOM 0 HB2 PRO A 61 -20.440 -14.318 27.233 1.00 42.11 H new ATOM 0 HB3 PRO A 61 -21.332 -15.235 26.035 1.00 42.11 H new ATOM 0 HG2 PRO A 61 -18.875 -16.028 27.584 1.00 60.43 H new ATOM 0 HG3 PRO A 61 -20.294 -16.985 27.205 1.00 60.43 H new ATOM 0 HD2 PRO A 61 -17.924 -17.150 25.782 1.00 4.25 H new ATOM 0 HD3 PRO A 61 -19.482 -17.582 25.106 1.00 4.25 H new ATOM 951 N GLY A 62 -17.141 -13.749 25.714 1.00 1.23 N ATOM 952 CA GLY A 62 -16.076 -12.897 26.234 1.00 35.11 C ATOM 953 C GLY A 62 -14.894 -13.686 26.786 1.00 11.11 C ATOM 954 O GLY A 62 -15.052 -14.819 27.249 1.00 42.05 O ATOM 0 H GLY A 62 -16.817 -14.588 25.232 1.00 1.23 H new ATOM 0 HA2 GLY A 62 -15.726 -12.238 25.440 1.00 35.11 H new ATOM 0 HA3 GLY A 62 -16.480 -12.261 27.021 1.00 35.11 H new ATOM 958 N VAL A 63 -13.707 -13.087 26.745 1.00 1.14 N ATOM 959 CA VAL A 63 -12.493 -13.732 27.251 1.00 4.42 C ATOM 960 C VAL A 63 -12.206 -13.321 28.704 1.00 73.32 C ATOM 961 O VAL A 63 -12.202 -12.135 29.042 1.00 22.44 O ATOM 962 CB VAL A 63 -11.262 -13.394 26.370 1.00 53.42 C ATOM 963 CG1 VAL A 63 -10.007 -14.095 26.892 1.00 72.33 C ATOM 964 CG2 VAL A 63 -11.521 -13.769 24.910 1.00 61.34 C ATOM 0 H VAL A 63 -13.557 -12.152 26.366 1.00 1.14 H new ATOM 0 HA VAL A 63 -12.669 -14.807 27.214 1.00 4.42 H new ATOM 0 HB VAL A 63 -11.096 -12.318 26.423 1.00 53.42 H new ATOM 0 HG11 VAL A 63 -9.158 -13.842 26.257 1.00 72.33 H new ATOM 0 HG12 VAL A 63 -9.806 -13.770 27.913 1.00 72.33 H new ATOM 0 HG13 VAL A 63 -10.161 -15.174 26.879 1.00 72.33 H new ATOM 0 HG21 VAL A 63 -10.645 -13.523 24.310 1.00 61.34 H new ATOM 0 HG22 VAL A 63 -11.721 -14.838 24.839 1.00 61.34 H new ATOM 0 HG23 VAL A 63 -12.382 -13.213 24.539 1.00 61.34 H new ATOM 974 N ARG A 64 -11.986 -14.312 29.560 1.00 4.44 N ATOM 975 CA ARG A 64 -11.634 -14.069 30.961 1.00 64.43 C ATOM 976 C ARG A 64 -10.108 -14.003 31.137 1.00 61.11 C ATOM 977 O ARG A 64 -9.574 -13.017 31.645 1.00 53.33 O ATOM 978 CB ARG A 64 -12.235 -15.167 31.855 1.00 32.20 C ATOM 979 CG ARG A 64 -11.867 -15.033 33.329 1.00 35.42 C ATOM 980 CD ARG A 64 -12.604 -16.046 34.195 1.00 44.04 C ATOM 981 NE ARG A 64 -14.048 -15.825 34.181 1.00 22.22 N ATOM 982 CZ ARG A 64 -14.915 -16.612 34.761 1.00 11.43 C ATOM 983 NH1 ARG A 64 -14.524 -17.663 35.407 1.00 5.14 N ATOM 984 NH2 ARG A 64 -16.177 -16.340 34.704 1.00 71.43 N ATOM 0 H ARG A 64 -12.045 -15.299 29.310 1.00 4.44 H new ATOM 0 HA ARG A 64 -12.050 -13.107 31.261 1.00 64.43 H new ATOM 0 HB2 ARG A 64 -13.321 -15.147 31.758 1.00 32.20 H new ATOM 0 HB3 ARG A 64 -11.901 -16.140 31.494 1.00 32.20 H new ATOM 0 HG2 ARG A 64 -10.792 -15.168 33.448 1.00 35.42 H new ATOM 0 HG3 ARG A 64 -12.101 -14.025 33.671 1.00 35.42 H new ATOM 0 HD2 ARG A 64 -12.387 -17.053 33.840 1.00 44.04 H new ATOM 0 HD3 ARG A 64 -12.237 -15.983 35.219 1.00 44.04 H new ATOM 0 HE ARG A 64 -14.402 -15.005 33.688 1.00 22.22 H new ATOM 0 HH11 ARG A 64 -13.530 -17.884 35.467 1.00 5.14 H new ATOM 0 HH12 ARG A 64 -15.210 -18.270 35.856 1.00 5.14 H new ATOM 0 HH21 ARG A 64 -16.498 -15.510 34.206 1.00 71.43 H new ATOM 0 HH22 ARG A 64 -16.852 -16.955 35.157 1.00 71.43 H new ATOM 998 N ASN A 65 -9.412 -15.054 30.704 1.00 0.14 N ATOM 999 CA ASN A 65 -7.943 -15.099 30.754 1.00 4.34 C ATOM 1000 C ASN A 65 -7.399 -16.276 29.932 1.00 52.40 C ATOM 1001 O ASN A 65 -8.160 -17.025 29.319 1.00 43.13 O ATOM 1002 CB ASN A 65 -7.446 -15.196 32.208 1.00 34.21 C ATOM 1003 CG ASN A 65 -7.973 -16.424 32.932 1.00 62.13 C ATOM 1004 OD1 ASN A 65 -9.024 -16.387 33.557 1.00 75.30 O ATOM 1005 ND2 ASN A 65 -7.243 -17.521 32.863 1.00 32.21 N ATOM 0 H ASN A 65 -9.841 -15.892 30.312 1.00 0.14 H new ATOM 0 HA ASN A 65 -7.570 -14.172 30.319 1.00 4.34 H new ATOM 0 HB2 ASN A 65 -6.356 -15.217 32.214 1.00 34.21 H new ATOM 0 HB3 ASN A 65 -7.751 -14.301 32.751 1.00 34.21 H new ATOM 0 HD21 ASN A 65 -7.551 -18.369 33.339 1.00 32.21 H new ATOM 0 HD22 ASN A 65 -6.371 -17.521 32.334 1.00 32.21 H new ATOM 1012 N PHE A 66 -6.079 -16.431 29.908 1.00 70.21 N ATOM 1013 CA PHE A 66 -5.444 -17.563 29.223 1.00 43.42 C ATOM 1014 C PHE A 66 -4.635 -18.414 30.210 1.00 52.44 C ATOM 1015 O PHE A 66 -4.107 -17.903 31.197 1.00 53.42 O ATOM 1016 CB PHE A 66 -4.536 -17.064 28.092 1.00 30.24 C ATOM 1017 CG PHE A 66 -5.280 -16.426 26.943 1.00 62.24 C ATOM 1018 CD1 PHE A 66 -5.724 -15.113 27.022 1.00 74.44 C ATOM 1019 CD2 PHE A 66 -5.532 -17.143 25.780 1.00 31.20 C ATOM 1020 CE1 PHE A 66 -6.403 -14.531 25.969 1.00 4.33 C ATOM 1021 CE2 PHE A 66 -6.211 -16.562 24.724 1.00 32.11 C ATOM 1022 CZ PHE A 66 -6.646 -15.256 24.819 1.00 31.21 C ATOM 0 H PHE A 66 -5.424 -15.789 30.354 1.00 70.21 H new ATOM 0 HA PHE A 66 -6.231 -18.184 28.796 1.00 43.42 H new ATOM 0 HB2 PHE A 66 -3.829 -16.341 28.500 1.00 30.24 H new ATOM 0 HB3 PHE A 66 -3.952 -17.902 27.712 1.00 30.24 H new ATOM 0 HD1 PHE A 66 -5.536 -14.539 27.918 1.00 74.44 H new ATOM 0 HD2 PHE A 66 -5.194 -18.166 25.699 1.00 31.20 H new ATOM 0 HE1 PHE A 66 -6.744 -13.509 26.045 1.00 4.33 H new ATOM 0 HE2 PHE A 66 -6.401 -17.130 23.825 1.00 32.11 H new ATOM 0 HZ PHE A 66 -7.176 -14.801 23.995 1.00 31.21 H new ATOM 1032 N GLU A 67 -4.544 -19.712 29.941 1.00 63.42 N ATOM 1033 CA GLU A 67 -3.796 -20.635 30.806 1.00 4.30 C ATOM 1034 C GLU A 67 -2.802 -21.473 29.993 1.00 23.35 C ATOM 1035 O GLU A 67 -3.059 -21.813 28.837 1.00 41.43 O ATOM 1036 CB GLU A 67 -4.765 -21.562 31.554 1.00 31.10 C ATOM 1037 CG GLU A 67 -4.085 -22.483 32.566 1.00 74.22 C ATOM 1038 CD GLU A 67 -5.035 -23.509 33.166 1.00 72.10 C ATOM 1039 OE1 GLU A 67 -5.966 -23.111 33.898 1.00 2.33 O ATOM 1040 OE2 GLU A 67 -4.859 -24.719 32.905 1.00 64.32 O ATOM 0 H GLU A 67 -4.977 -20.155 29.131 1.00 63.42 H new ATOM 0 HA GLU A 67 -3.235 -20.040 31.526 1.00 4.30 H new ATOM 0 HB2 GLU A 67 -5.507 -20.954 32.072 1.00 31.10 H new ATOM 0 HB3 GLU A 67 -5.303 -22.171 30.828 1.00 31.10 H new ATOM 0 HG2 GLU A 67 -3.259 -23.001 32.080 1.00 74.22 H new ATOM 0 HG3 GLU A 67 -3.656 -21.881 33.367 1.00 74.22 H new ATOM 1047 N VAL A 68 -1.665 -21.795 30.601 1.00 14.23 N ATOM 1048 CA VAL A 68 -0.652 -22.634 29.951 1.00 23.44 C ATOM 1049 C VAL A 68 -0.696 -24.074 30.485 1.00 1.40 C ATOM 1050 O VAL A 68 -0.617 -24.306 31.694 1.00 64.32 O ATOM 1051 CB VAL A 68 0.772 -22.054 30.148 1.00 32.42 C ATOM 1052 CG1 VAL A 68 1.823 -22.954 29.498 1.00 52.03 C ATOM 1053 CG2 VAL A 68 0.853 -20.634 29.591 1.00 31.42 C ATOM 0 H VAL A 68 -1.418 -21.490 31.542 1.00 14.23 H new ATOM 0 HA VAL A 68 -0.884 -22.644 28.886 1.00 23.44 H new ATOM 0 HB VAL A 68 0.980 -22.015 31.217 1.00 32.42 H new ATOM 0 HG11 VAL A 68 2.814 -22.525 29.650 1.00 52.03 H new ATOM 0 HG12 VAL A 68 1.783 -23.945 29.950 1.00 52.03 H new ATOM 0 HG13 VAL A 68 1.623 -23.034 28.430 1.00 52.03 H new ATOM 0 HG21 VAL A 68 1.860 -20.242 29.738 1.00 31.42 H new ATOM 0 HG22 VAL A 68 0.620 -20.647 28.526 1.00 31.42 H new ATOM 0 HG23 VAL A 68 0.137 -19.998 30.111 1.00 31.42 H new ATOM 1063 N ARG A 69 -0.831 -25.039 29.578 1.00 75.01 N ATOM 1064 CA ARG A 69 -0.837 -26.459 29.950 1.00 0.24 C ATOM 1065 C ARG A 69 -0.184 -27.322 28.858 1.00 72.25 C ATOM 1066 O ARG A 69 -0.249 -26.995 27.674 1.00 61.12 O ATOM 1067 CB ARG A 69 -2.274 -26.932 30.216 1.00 43.22 C ATOM 1068 CG ARG A 69 -2.367 -28.376 30.701 1.00 62.33 C ATOM 1069 CD ARG A 69 -3.800 -28.791 31.005 1.00 12.53 C ATOM 1070 NE ARG A 69 -3.874 -30.168 31.490 1.00 74.11 N ATOM 1071 CZ ARG A 69 -4.865 -30.649 32.189 1.00 0.35 C ATOM 1072 NH1 ARG A 69 -5.861 -29.893 32.531 1.00 71.15 N ATOM 1073 NH2 ARG A 69 -4.856 -31.886 32.560 1.00 55.42 N ATOM 0 H ARG A 69 -0.938 -24.867 28.578 1.00 75.01 H new ATOM 0 HA ARG A 69 -0.252 -26.572 30.863 1.00 0.24 H new ATOM 0 HB2 ARG A 69 -2.730 -26.279 30.960 1.00 43.22 H new ATOM 0 HB3 ARG A 69 -2.856 -26.828 29.300 1.00 43.22 H new ATOM 0 HG2 ARG A 69 -1.952 -29.039 29.942 1.00 62.33 H new ATOM 0 HG3 ARG A 69 -1.758 -28.496 31.597 1.00 62.33 H new ATOM 0 HD2 ARG A 69 -4.222 -28.119 31.752 1.00 12.53 H new ATOM 0 HD3 ARG A 69 -4.407 -28.689 30.105 1.00 12.53 H new ATOM 0 HE ARG A 69 -3.100 -30.794 31.267 1.00 74.11 H new ATOM 0 HH11 ARG A 69 -5.875 -28.912 32.253 1.00 71.15 H new ATOM 0 HH12 ARG A 69 -6.631 -30.280 33.078 1.00 71.15 H new ATOM 0 HH21 ARG A 69 -4.073 -32.489 32.307 1.00 55.42 H new ATOM 0 HH22 ARG A 69 -5.632 -32.260 33.106 1.00 55.42 H new ATOM 1087 N SER A 70 0.444 -28.425 29.263 1.00 14.15 N ATOM 1088 CA SER A 70 1.151 -29.309 28.323 1.00 72.31 C ATOM 1089 C SER A 70 0.188 -30.047 27.379 1.00 61.43 C ATOM 1090 O SER A 70 -0.971 -30.303 27.720 1.00 3.24 O ATOM 1091 CB SER A 70 2.006 -30.329 29.089 1.00 51.21 C ATOM 1092 OG SER A 70 1.214 -31.125 29.960 1.00 72.55 O ATOM 0 H SER A 70 0.481 -28.732 30.235 1.00 14.15 H new ATOM 0 HA SER A 70 1.793 -28.675 27.712 1.00 72.31 H new ATOM 0 HB2 SER A 70 2.528 -30.972 28.381 1.00 51.21 H new ATOM 0 HB3 SER A 70 2.769 -29.806 29.666 1.00 51.21 H new ATOM 0 HG SER A 70 1.788 -31.765 30.431 1.00 72.55 H new ATOM 1162 N GLN A 76 3.755 -27.079 25.300 1.00 41.45 N ATOM 1163 CA GLN A 76 2.458 -26.719 25.886 1.00 45.21 C ATOM 1164 C GLN A 76 1.511 -26.125 24.829 1.00 74.01 C ATOM 1165 O GLN A 76 1.837 -26.066 23.641 1.00 21.33 O ATOM 1166 CB GLN A 76 2.639 -25.700 27.029 1.00 13.03 C ATOM 1167 CG GLN A 76 3.603 -26.125 28.137 1.00 32.34 C ATOM 1168 CD GLN A 76 5.065 -25.928 27.763 1.00 41.25 C ATOM 1169 OE1 GLN A 76 5.704 -26.819 27.220 1.00 44.24 O ATOM 1170 NE2 GLN A 76 5.602 -24.754 28.040 1.00 34.32 N ATOM 0 HA GLN A 76 2.018 -27.635 26.280 1.00 45.21 H new ATOM 0 HB2 GLN A 76 2.992 -24.761 26.604 1.00 13.03 H new ATOM 0 HB3 GLN A 76 1.664 -25.502 27.475 1.00 13.03 H new ATOM 0 HG2 GLN A 76 3.385 -25.554 29.039 1.00 32.34 H new ATOM 0 HG3 GLN A 76 3.433 -27.175 28.375 1.00 32.34 H new ATOM 0 HE21 GLN A 76 5.043 -24.032 28.493 1.00 34.32 H new ATOM 0 HE22 GLN A 76 6.576 -24.570 27.801 1.00 34.32 H new ATOM 1179 N CYS A 77 0.334 -25.697 25.276 1.00 43.12 N ATOM 1180 CA CYS A 77 -0.631 -24.999 24.417 1.00 13.40 C ATOM 1181 C CYS A 77 -1.342 -23.889 25.202 1.00 0.31 C ATOM 1182 O CYS A 77 -1.448 -23.957 26.430 1.00 53.45 O ATOM 1183 CB CYS A 77 -1.670 -25.977 23.842 1.00 30.12 C ATOM 1184 SG CYS A 77 -0.984 -27.229 22.730 1.00 2.40 S ATOM 0 H CYS A 77 0.019 -25.821 26.238 1.00 43.12 H new ATOM 0 HA CYS A 77 -0.079 -24.555 23.589 1.00 13.40 H new ATOM 0 HB2 CYS A 77 -2.174 -26.479 24.668 1.00 30.12 H new ATOM 0 HB3 CYS A 77 -2.428 -25.408 23.305 1.00 30.12 H new ATOM 0 HG CYS A 77 0.307 -27.089 22.662 1.00 2.40 H new ATOM 1190 N PHE A 78 -1.817 -22.869 24.494 1.00 74.23 N ATOM 1191 CA PHE A 78 -2.527 -21.752 25.127 1.00 73.42 C ATOM 1192 C PHE A 78 -4.039 -22.024 25.210 1.00 33.13 C ATOM 1193 O PHE A 78 -4.715 -22.181 24.188 1.00 61.21 O ATOM 1194 CB PHE A 78 -2.257 -20.445 24.367 1.00 43.22 C ATOM 1195 CG PHE A 78 -0.832 -19.956 24.495 1.00 62.21 C ATOM 1196 CD1 PHE A 78 -0.426 -19.263 25.627 1.00 3.43 C ATOM 1197 CD2 PHE A 78 0.098 -20.185 23.487 1.00 72.33 C ATOM 1198 CE1 PHE A 78 0.873 -18.810 25.752 1.00 44.53 C ATOM 1199 CE2 PHE A 78 1.398 -19.732 23.609 1.00 64.45 C ATOM 1200 CZ PHE A 78 1.786 -19.044 24.743 1.00 53.23 C ATOM 0 H PHE A 78 -1.725 -22.789 23.481 1.00 74.23 H new ATOM 0 HA PHE A 78 -2.150 -21.650 26.145 1.00 73.42 H new ATOM 0 HB2 PHE A 78 -2.489 -20.593 23.312 1.00 43.22 H new ATOM 0 HB3 PHE A 78 -2.932 -19.673 24.736 1.00 43.22 H new ATOM 0 HD1 PHE A 78 -1.135 -19.076 26.420 1.00 3.43 H new ATOM 0 HD2 PHE A 78 -0.199 -20.723 22.599 1.00 72.33 H new ATOM 0 HE1 PHE A 78 1.174 -18.273 26.639 1.00 44.53 H new ATOM 0 HE2 PHE A 78 2.110 -19.916 22.818 1.00 64.45 H new ATOM 0 HZ PHE A 78 2.802 -18.690 24.840 1.00 53.23 H new ATOM 1210 N TRP A 79 -4.552 -22.092 26.440 1.00 44.44 N ATOM 1211 CA TRP A 79 -5.976 -22.355 26.697 1.00 24.50 C ATOM 1212 C TRP A 79 -6.772 -21.052 26.881 1.00 4.43 C ATOM 1213 O TRP A 79 -6.400 -20.195 27.684 1.00 5.11 O ATOM 1214 CB TRP A 79 -6.126 -23.231 27.952 1.00 63.23 C ATOM 1215 CG TRP A 79 -5.580 -24.623 27.787 1.00 42.10 C ATOM 1216 CD1 TRP A 79 -4.281 -24.983 27.553 1.00 3.51 C ATOM 1217 CD2 TRP A 79 -6.323 -25.843 27.863 1.00 35.32 C ATOM 1218 NE1 TRP A 79 -4.181 -26.351 27.459 1.00 41.50 N ATOM 1219 CE2 TRP A 79 -5.419 -26.902 27.654 1.00 13.23 C ATOM 1220 CE3 TRP A 79 -7.670 -26.141 28.086 1.00 40.14 C ATOM 1221 CZ2 TRP A 79 -5.820 -28.235 27.660 1.00 14.44 C ATOM 1222 CZ3 TRP A 79 -8.065 -27.464 28.094 1.00 45.41 C ATOM 1223 CH2 TRP A 79 -7.143 -28.498 27.882 1.00 40.10 C ATOM 0 H TRP A 79 -3.997 -21.967 27.286 1.00 44.44 H new ATOM 0 HA TRP A 79 -6.379 -22.876 25.828 1.00 24.50 H new ATOM 0 HB2 TRP A 79 -5.617 -22.747 28.785 1.00 63.23 H new ATOM 0 HB3 TRP A 79 -7.182 -23.293 28.217 1.00 63.23 H new ATOM 0 HD1 TRP A 79 -3.455 -24.294 27.456 1.00 3.51 H new ATOM 0 HE1 TRP A 79 -3.323 -26.871 27.274 1.00 41.50 H new ATOM 0 HE3 TRP A 79 -8.388 -25.351 28.249 1.00 40.14 H new ATOM 0 HZ2 TRP A 79 -5.111 -29.033 27.495 1.00 14.44 H new ATOM 0 HZ3 TRP A 79 -9.103 -27.706 28.267 1.00 45.41 H new ATOM 0 HH2 TRP A 79 -7.484 -29.523 27.894 1.00 40.10 H new ATOM 1234 N ILE A 80 -7.871 -20.913 26.140 1.00 0.14 N ATOM 1235 CA ILE A 80 -8.734 -19.730 26.236 1.00 41.44 C ATOM 1236 C ILE A 80 -9.836 -19.919 27.294 1.00 72.02 C ATOM 1237 O ILE A 80 -10.763 -20.713 27.109 1.00 64.50 O ATOM 1238 CB ILE A 80 -9.403 -19.417 24.872 1.00 2.35 C ATOM 1239 CG1 ILE A 80 -8.340 -19.303 23.765 1.00 24.03 C ATOM 1240 CG2 ILE A 80 -10.233 -18.132 24.956 1.00 3.25 C ATOM 1241 CD1 ILE A 80 -8.917 -19.089 22.379 1.00 21.43 C ATOM 0 H ILE A 80 -8.188 -21.607 25.463 1.00 0.14 H new ATOM 0 HA ILE A 80 -8.094 -18.898 26.531 1.00 41.44 H new ATOM 0 HB ILE A 80 -10.074 -20.239 24.624 1.00 2.35 H new ATOM 0 HG12 ILE A 80 -7.671 -18.476 24.001 1.00 24.03 H new ATOM 0 HG13 ILE A 80 -7.736 -20.210 23.760 1.00 24.03 H new ATOM 0 HG21 ILE A 80 -10.693 -17.932 23.988 1.00 3.25 H new ATOM 0 HG22 ILE A 80 -11.011 -18.250 25.710 1.00 3.25 H new ATOM 0 HG23 ILE A 80 -9.586 -17.298 25.230 1.00 3.25 H new ATOM 0 HD11 ILE A 80 -8.106 -19.019 21.654 1.00 21.43 H new ATOM 0 HD12 ILE A 80 -9.563 -19.928 22.120 1.00 21.43 H new ATOM 0 HD13 ILE A 80 -9.497 -18.166 22.365 1.00 21.43 H new ATOM 1253 N LEU A 81 -9.728 -19.190 28.402 1.00 1.22 N ATOM 1254 CA LEU A 81 -10.754 -19.216 29.449 1.00 13.45 C ATOM 1255 C LEU A 81 -11.893 -18.246 29.107 1.00 22.25 C ATOM 1256 O LEU A 81 -11.792 -17.045 29.348 1.00 20.25 O ATOM 1257 CB LEU A 81 -10.152 -18.857 30.821 1.00 60.23 C ATOM 1258 CG LEU A 81 -9.290 -19.944 31.492 1.00 25.35 C ATOM 1259 CD1 LEU A 81 -10.127 -21.183 31.794 1.00 43.11 C ATOM 1260 CD2 LEU A 81 -8.079 -20.303 30.633 1.00 30.42 C ATOM 0 H LEU A 81 -8.941 -18.573 28.601 1.00 1.22 H new ATOM 0 HA LEU A 81 -11.154 -20.229 29.502 1.00 13.45 H new ATOM 0 HB2 LEU A 81 -9.543 -17.961 30.704 1.00 60.23 H new ATOM 0 HB3 LEU A 81 -10.968 -18.601 31.497 1.00 60.23 H new ATOM 0 HG LEU A 81 -8.919 -19.541 32.434 1.00 25.35 H new ATOM 0 HD11 LEU A 81 -9.500 -21.939 32.267 1.00 43.11 H new ATOM 0 HD12 LEU A 81 -10.943 -20.916 32.465 1.00 43.11 H new ATOM 0 HD13 LEU A 81 -10.536 -21.581 30.865 1.00 43.11 H new ATOM 0 HD21 LEU A 81 -7.492 -21.072 31.135 1.00 30.42 H new ATOM 0 HD22 LEU A 81 -8.417 -20.677 29.666 1.00 30.42 H new ATOM 0 HD23 LEU A 81 -7.463 -19.416 30.484 1.00 30.42 H new ATOM 1272 N ARG A 82 -12.960 -18.768 28.513 1.00 11.43 N ATOM 1273 CA ARG A 82 -14.132 -17.955 28.171 1.00 51.11 C ATOM 1274 C ARG A 82 -15.023 -17.712 29.398 1.00 1.34 C ATOM 1275 O ARG A 82 -15.109 -18.559 30.289 1.00 33.55 O ATOM 1276 CB ARG A 82 -14.934 -18.641 27.057 1.00 41.32 C ATOM 1277 CG ARG A 82 -14.214 -18.655 25.712 1.00 32.11 C ATOM 1278 CD ARG A 82 -14.937 -19.519 24.685 1.00 41.21 C ATOM 1279 NE ARG A 82 -14.912 -20.933 25.053 1.00 15.15 N ATOM 1280 CZ ARG A 82 -15.311 -21.901 24.280 1.00 73.53 C ATOM 1281 NH1 ARG A 82 -15.816 -21.654 23.118 1.00 34.51 N ATOM 1282 NH2 ARG A 82 -15.215 -23.124 24.683 1.00 72.21 N ATOM 0 H ARG A 82 -13.042 -19.752 28.256 1.00 11.43 H new ATOM 0 HA ARG A 82 -13.782 -16.985 27.819 1.00 51.11 H new ATOM 0 HB2 ARG A 82 -15.151 -19.667 27.355 1.00 41.32 H new ATOM 0 HB3 ARG A 82 -15.891 -18.133 26.943 1.00 41.32 H new ATOM 0 HG2 ARG A 82 -14.132 -17.636 25.334 1.00 32.11 H new ATOM 0 HG3 ARG A 82 -13.199 -19.027 25.848 1.00 32.11 H new ATOM 0 HD2 ARG A 82 -15.971 -19.186 24.592 1.00 41.21 H new ATOM 0 HD3 ARG A 82 -14.471 -19.389 23.708 1.00 41.21 H new ATOM 0 HE ARG A 82 -14.558 -21.178 25.978 1.00 15.15 H new ATOM 0 HH11 ARG A 82 -15.906 -20.691 22.795 1.00 34.51 H new ATOM 0 HH12 ARG A 82 -16.125 -22.422 22.522 1.00 34.51 H new ATOM 0 HH21 ARG A 82 -14.828 -23.329 25.604 1.00 72.21 H new ATOM 0 HH22 ARG A 82 -15.527 -23.886 24.080 1.00 72.21 H new ATOM 1296 N THR A 83 -15.688 -16.554 29.431 1.00 61.04 N ATOM 1297 CA THR A 83 -16.599 -16.203 30.536 1.00 52.54 C ATOM 1298 C THR A 83 -17.720 -17.241 30.684 1.00 35.13 C ATOM 1299 O THR A 83 -18.282 -17.417 31.764 1.00 70.33 O ATOM 1300 CB THR A 83 -17.228 -14.802 30.329 1.00 54.21 C ATOM 1301 OG1 THR A 83 -17.959 -14.766 29.094 1.00 74.40 O ATOM 1302 CG2 THR A 83 -16.156 -13.715 30.319 1.00 13.31 C ATOM 0 H THR A 83 -15.616 -15.840 28.707 1.00 61.04 H new ATOM 0 HA THR A 83 -15.999 -16.191 31.446 1.00 52.54 H new ATOM 0 HB THR A 83 -17.907 -14.613 31.160 1.00 54.21 H new ATOM 0 HG1 THR A 83 -17.352 -14.957 28.349 1.00 74.40 H new ATOM 0 HG21 THR A 83 -16.625 -12.742 30.172 1.00 13.31 H new ATOM 0 HG22 THR A 83 -15.623 -13.721 31.270 1.00 13.31 H new ATOM 0 HG23 THR A 83 -15.453 -13.905 29.508 1.00 13.31 H new ATOM 1310 N ASP A 84 -18.030 -17.920 29.580 1.00 60.33 N ATOM 1311 CA ASP A 84 -18.959 -19.055 29.577 1.00 31.41 C ATOM 1312 C ASP A 84 -18.559 -20.116 30.620 1.00 34.12 C ATOM 1313 O ASP A 84 -19.408 -20.705 31.289 1.00 31.41 O ATOM 1314 CB ASP A 84 -18.972 -19.679 28.175 1.00 14.24 C ATOM 1315 CG ASP A 84 -19.765 -20.970 28.107 1.00 34.15 C ATOM 1316 OD1 ASP A 84 -19.176 -22.045 28.357 1.00 32.34 O ATOM 1317 OD2 ASP A 84 -20.973 -20.915 27.804 1.00 64.32 O ATOM 0 H ASP A 84 -17.645 -17.700 28.661 1.00 60.33 H new ATOM 0 HA ASP A 84 -19.953 -18.694 29.841 1.00 31.41 H new ATOM 0 HB2 ASP A 84 -19.393 -18.963 27.469 1.00 14.24 H new ATOM 0 HB3 ASP A 84 -17.947 -19.872 27.860 1.00 14.24 H new ATOM 1322 N GLY A 85 -17.255 -20.344 30.747 1.00 20.14 N ATOM 1323 CA GLY A 85 -16.745 -21.387 31.631 1.00 30.32 C ATOM 1324 C GLY A 85 -16.013 -22.490 30.872 1.00 10.23 C ATOM 1325 O GLY A 85 -15.074 -23.096 31.389 1.00 34.23 O ATOM 0 H GLY A 85 -16.534 -19.822 30.250 1.00 20.14 H new ATOM 0 HA2 GLY A 85 -16.068 -20.942 32.360 1.00 30.32 H new ATOM 0 HA3 GLY A 85 -17.574 -21.823 32.189 1.00 30.32 H new ATOM 1329 N SER A 86 -16.437 -22.742 29.633 1.00 63.03 N ATOM 1330 CA SER A 86 -15.824 -23.787 28.797 1.00 54.33 C ATOM 1331 C SER A 86 -14.498 -23.311 28.189 1.00 14.13 C ATOM 1332 O SER A 86 -14.485 -22.485 27.276 1.00 22.24 O ATOM 1333 CB SER A 86 -16.781 -24.202 27.668 1.00 72.45 C ATOM 1334 OG SER A 86 -18.022 -24.660 28.181 1.00 21.44 O ATOM 0 H SER A 86 -17.202 -22.240 29.182 1.00 63.03 H new ATOM 0 HA SER A 86 -15.624 -24.644 29.440 1.00 54.33 H new ATOM 0 HB2 SER A 86 -16.951 -23.355 27.004 1.00 72.45 H new ATOM 0 HB3 SER A 86 -16.321 -24.988 27.070 1.00 72.45 H new ATOM 0 HG SER A 86 -18.616 -23.895 28.331 1.00 21.44 H new ATOM 1340 N GLU A 87 -13.386 -23.827 28.697 1.00 53.24 N ATOM 1341 CA GLU A 87 -12.060 -23.473 28.172 1.00 23.41 C ATOM 1342 C GLU A 87 -11.724 -24.265 26.896 1.00 34.33 C ATOM 1343 O GLU A 87 -11.994 -25.465 26.802 1.00 22.31 O ATOM 1344 CB GLU A 87 -10.964 -23.687 29.238 1.00 42.30 C ATOM 1345 CG GLU A 87 -10.837 -25.115 29.782 1.00 52.41 C ATOM 1346 CD GLU A 87 -11.917 -25.477 30.794 1.00 12.41 C ATOM 1347 OE1 GLU A 87 -11.752 -25.155 31.990 1.00 11.23 O ATOM 1348 OE2 GLU A 87 -12.934 -26.084 30.401 1.00 73.24 O ATOM 0 H GLU A 87 -13.369 -24.491 29.471 1.00 53.24 H new ATOM 0 HA GLU A 87 -12.091 -22.415 27.913 1.00 23.41 H new ATOM 0 HB2 GLU A 87 -10.005 -23.394 28.811 1.00 42.30 H new ATOM 0 HB3 GLU A 87 -11.159 -23.015 30.074 1.00 42.30 H new ATOM 0 HG2 GLU A 87 -10.880 -25.818 28.950 1.00 52.41 H new ATOM 0 HG3 GLU A 87 -9.859 -25.232 30.248 1.00 52.41 H new ATOM 1355 N GLU A 88 -11.139 -23.585 25.912 1.00 61.31 N ATOM 1356 CA GLU A 88 -10.755 -24.225 24.646 1.00 30.43 C ATOM 1357 C GLU A 88 -9.359 -23.761 24.199 1.00 44.33 C ATOM 1358 O GLU A 88 -9.062 -22.568 24.193 1.00 42.22 O ATOM 1359 CB GLU A 88 -11.808 -23.930 23.562 1.00 52.42 C ATOM 1360 CG GLU A 88 -11.531 -24.598 22.218 1.00 33.34 C ATOM 1361 CD GLU A 88 -12.732 -24.546 21.282 1.00 13.31 C ATOM 1362 OE1 GLU A 88 -12.958 -23.502 20.642 1.00 62.32 O ATOM 1363 OE2 GLU A 88 -13.470 -25.552 21.196 1.00 73.01 O ATOM 0 H GLU A 88 -10.919 -22.590 25.963 1.00 61.31 H new ATOM 0 HA GLU A 88 -10.712 -25.303 24.801 1.00 30.43 H new ATOM 0 HB2 GLU A 88 -12.784 -24.256 23.922 1.00 52.42 H new ATOM 0 HB3 GLU A 88 -11.867 -22.852 23.413 1.00 52.42 H new ATOM 0 HG2 GLU A 88 -10.681 -24.109 21.741 1.00 33.34 H new ATOM 0 HG3 GLU A 88 -11.249 -25.638 22.384 1.00 33.34 H new ATOM 1370 N ARG A 89 -8.506 -24.715 23.837 1.00 42.51 N ATOM 1371 CA ARG A 89 -7.105 -24.428 23.482 1.00 23.23 C ATOM 1372 C ARG A 89 -6.900 -24.331 21.963 1.00 61.43 C ATOM 1373 O ARG A 89 -7.677 -24.883 21.185 1.00 61.20 O ATOM 1374 CB ARG A 89 -6.189 -25.527 24.043 1.00 40.34 C ATOM 1375 CG ARG A 89 -6.573 -26.933 23.585 1.00 71.23 C ATOM 1376 CD ARG A 89 -5.531 -27.975 23.985 1.00 43.44 C ATOM 1377 NE ARG A 89 -5.930 -29.326 23.583 1.00 14.44 N ATOM 1378 CZ ARG A 89 -5.622 -29.878 22.438 1.00 20.21 C ATOM 1379 NH1 ARG A 89 -4.929 -29.229 21.555 1.00 53.41 N ATOM 1380 NH2 ARG A 89 -6.018 -31.081 22.178 1.00 11.41 N ATOM 0 H ARG A 89 -8.756 -25.702 23.779 1.00 42.51 H new ATOM 0 HA ARG A 89 -6.853 -23.462 23.919 1.00 23.23 H new ATOM 0 HB2 ARG A 89 -5.162 -25.323 23.740 1.00 40.34 H new ATOM 0 HB3 ARG A 89 -6.214 -25.489 25.132 1.00 40.34 H new ATOM 0 HG2 ARG A 89 -7.538 -27.203 24.015 1.00 71.23 H new ATOM 0 HG3 ARG A 89 -6.694 -26.940 22.502 1.00 71.23 H new ATOM 0 HD2 ARG A 89 -4.574 -27.727 23.526 1.00 43.44 H new ATOM 0 HD3 ARG A 89 -5.384 -27.946 25.065 1.00 43.44 H new ATOM 0 HE ARG A 89 -6.486 -29.873 24.241 1.00 14.44 H new ATOM 0 HH11 ARG A 89 -4.618 -28.277 21.750 1.00 53.41 H new ATOM 0 HH12 ARG A 89 -4.695 -29.670 20.666 1.00 53.41 H new ATOM 0 HH21 ARG A 89 -6.569 -31.596 22.865 1.00 11.41 H new ATOM 0 HH22 ARG A 89 -5.780 -31.515 21.286 1.00 11.41 H new ATOM 1394 N PHE A 90 -5.838 -23.637 21.553 1.00 15.32 N ATOM 1395 CA PHE A 90 -5.444 -23.587 20.138 1.00 44.13 C ATOM 1396 C PHE A 90 -3.933 -23.838 19.976 1.00 11.34 C ATOM 1397 O PHE A 90 -3.124 -23.379 20.784 1.00 55.33 O ATOM 1398 CB PHE A 90 -5.856 -22.250 19.492 1.00 62.34 C ATOM 1399 CG PHE A 90 -5.234 -21.014 20.106 1.00 71.51 C ATOM 1400 CD1 PHE A 90 -5.668 -20.533 21.333 1.00 63.02 C ATOM 1401 CD2 PHE A 90 -4.231 -20.321 19.439 1.00 31.33 C ATOM 1402 CE1 PHE A 90 -5.113 -19.390 21.881 1.00 14.12 C ATOM 1403 CE2 PHE A 90 -3.672 -19.180 19.985 1.00 65.34 C ATOM 1404 CZ PHE A 90 -4.114 -18.714 21.207 1.00 35.51 C ATOM 0 H PHE A 90 -5.234 -23.101 22.176 1.00 15.32 H new ATOM 0 HA PHE A 90 -5.974 -24.384 19.617 1.00 44.13 H new ATOM 0 HB2 PHE A 90 -5.594 -22.281 18.434 1.00 62.34 H new ATOM 0 HB3 PHE A 90 -6.941 -22.157 19.549 1.00 62.34 H new ATOM 0 HD1 PHE A 90 -6.448 -21.057 21.866 1.00 63.02 H new ATOM 0 HD2 PHE A 90 -3.883 -20.678 18.481 1.00 31.33 H new ATOM 0 HE1 PHE A 90 -5.461 -19.026 22.836 1.00 14.12 H new ATOM 0 HE2 PHE A 90 -2.891 -18.654 19.456 1.00 65.34 H new ATOM 0 HZ PHE A 90 -3.680 -17.823 21.635 1.00 35.51 H new ATOM 1414 N SER A 91 -3.565 -24.573 18.924 1.00 70.12 N ATOM 1415 CA SER A 91 -2.173 -25.014 18.708 1.00 23.42 C ATOM 1416 C SER A 91 -1.188 -23.849 18.513 1.00 13.31 C ATOM 1417 O SER A 91 0.016 -24.053 18.594 1.00 5.10 O ATOM 1418 CB SER A 91 -2.096 -25.942 17.489 1.00 40.14 C ATOM 1419 OG SER A 91 -3.023 -27.011 17.593 1.00 32.21 O ATOM 0 H SER A 91 -4.213 -24.881 18.199 1.00 70.12 H new ATOM 0 HA SER A 91 -1.878 -25.542 19.615 1.00 23.42 H new ATOM 0 HB2 SER A 91 -2.297 -25.371 16.582 1.00 40.14 H new ATOM 0 HB3 SER A 91 -1.086 -26.342 17.397 1.00 40.14 H new ATOM 0 HG SER A 91 -2.952 -27.584 16.801 1.00 32.21 H new ATOM 1425 N TYR A 92 -1.720 -22.654 18.232 1.00 11.41 N ATOM 1426 CA TYR A 92 -0.942 -21.407 18.013 1.00 21.31 C ATOM 1427 C TYR A 92 0.096 -21.506 16.864 1.00 34.14 C ATOM 1428 O TYR A 92 0.002 -20.762 15.890 1.00 64.10 O ATOM 1429 CB TYR A 92 -0.308 -20.866 19.329 1.00 24.23 C ATOM 1430 CG TYR A 92 1.049 -21.436 19.736 1.00 1.42 C ATOM 1431 CD1 TYR A 92 2.228 -20.897 19.227 1.00 35.44 C ATOM 1432 CD2 TYR A 92 1.154 -22.484 20.649 1.00 42.31 C ATOM 1433 CE1 TYR A 92 3.464 -21.390 19.601 1.00 41.11 C ATOM 1434 CE2 TYR A 92 2.388 -22.980 21.031 1.00 63.15 C ATOM 1435 CZ TYR A 92 3.541 -22.429 20.505 1.00 11.13 C ATOM 1436 OH TYR A 92 4.775 -22.918 20.885 1.00 0.15 O ATOM 0 H TYR A 92 -2.727 -22.513 18.146 1.00 11.41 H new ATOM 0 HA TYR A 92 -1.674 -20.671 17.680 1.00 21.31 H new ATOM 0 HB2 TYR A 92 -0.206 -19.785 19.235 1.00 24.23 H new ATOM 0 HB3 TYR A 92 -1.010 -21.050 20.143 1.00 24.23 H new ATOM 0 HD1 TYR A 92 2.175 -20.077 18.526 1.00 35.44 H new ATOM 0 HD2 TYR A 92 0.256 -22.917 21.066 1.00 42.31 H new ATOM 0 HE1 TYR A 92 4.366 -20.963 19.187 1.00 41.11 H new ATOM 0 HE2 TYR A 92 2.450 -23.795 21.737 1.00 63.15 H new ATOM 0 HH TYR A 92 4.654 -23.648 21.528 1.00 0.15 H new ATOM 1446 N LYS A 93 1.072 -22.412 16.975 1.00 32.04 N ATOM 1447 CA LYS A 93 2.117 -22.597 15.949 1.00 60.14 C ATOM 1448 C LYS A 93 1.539 -22.725 14.525 1.00 33.54 C ATOM 1449 O LYS A 93 2.169 -22.309 13.549 1.00 72.54 O ATOM 1450 CB LYS A 93 2.953 -23.841 16.286 1.00 4.13 C ATOM 1451 CG LYS A 93 2.130 -25.126 16.372 1.00 65.51 C ATOM 1452 CD LYS A 93 2.973 -26.327 16.794 1.00 34.40 C ATOM 1453 CE LYS A 93 4.016 -26.709 15.746 1.00 61.20 C ATOM 1454 NZ LYS A 93 4.806 -27.900 16.161 1.00 21.52 N ATOM 0 H LYS A 93 1.165 -23.039 17.774 1.00 32.04 H new ATOM 0 HA LYS A 93 2.743 -21.705 15.959 1.00 60.14 H new ATOM 0 HB2 LYS A 93 3.727 -23.965 15.528 1.00 4.13 H new ATOM 0 HB3 LYS A 93 3.461 -23.680 17.237 1.00 4.13 H new ATOM 0 HG2 LYS A 93 1.317 -24.987 17.085 1.00 65.51 H new ATOM 0 HG3 LYS A 93 1.673 -25.328 15.403 1.00 65.51 H new ATOM 0 HD2 LYS A 93 3.475 -26.102 17.735 1.00 34.40 H new ATOM 0 HD3 LYS A 93 2.319 -27.179 16.978 1.00 34.40 H new ATOM 0 HE2 LYS A 93 3.520 -26.914 14.797 1.00 61.20 H new ATOM 0 HE3 LYS A 93 4.688 -25.867 15.578 1.00 61.20 H new ATOM 0 HZ1 LYS A 93 5.503 -28.128 15.424 1.00 21.52 H new ATOM 0 HZ2 LYS A 93 5.300 -27.695 17.053 1.00 21.52 H new ATOM 0 HZ3 LYS A 93 4.168 -28.710 16.296 1.00 21.52 H new