USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 412 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 60 TYR OH : rot 180:sc= 0.391 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.5 K(o=0.89,f=-0.66!) USER MOD Single : A 11 MET CE :methyl 150:sc= -0.215 (180deg=-2.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 160:sc= -0.0953 (180deg=-1.22) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.204 USER MOD Single : A 26 GLN : amide:sc= 0.805 K(o=0.81,f=-4.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 40 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-4.5!) USER MOD Single : A 42 LYS NZ :NH3+ 134:sc= -3.84! (180deg=-4.77!) USER MOD Single : A 55 THR OG1 : rot 31:sc= 0.0809 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 58 TYR OH : rot 54:sc= 0.55 USER MOD Single : A 59 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4.2!) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0641) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 7.451 -20.749 12.561 1.00 31.40 N ATOM 135 CA GLU A 9 7.641 -21.346 13.891 1.00 34.21 C ATOM 136 C GLU A 9 8.152 -22.792 13.797 1.00 31.21 C ATOM 137 O GLU A 9 7.428 -23.694 13.372 1.00 62.15 O ATOM 138 CB GLU A 9 6.327 -21.316 14.691 1.00 70.42 C ATOM 139 CG GLU A 9 5.817 -19.912 15.013 1.00 0.05 C ATOM 140 CD GLU A 9 4.559 -19.924 15.873 1.00 13.31 C ATOM 141 OE1 GLU A 9 3.448 -20.032 15.317 1.00 74.15 O ATOM 142 OE2 GLU A 9 4.673 -19.824 17.114 1.00 22.21 O ATOM 0 HA GLU A 9 8.394 -20.750 14.407 1.00 34.21 H new ATOM 0 HB2 GLU A 9 5.560 -21.848 14.127 1.00 70.42 H new ATOM 0 HB3 GLU A 9 6.471 -21.860 15.624 1.00 70.42 H new ATOM 0 HG2 GLU A 9 6.599 -19.356 15.529 1.00 0.05 H new ATOM 0 HG3 GLU A 9 5.611 -19.383 14.083 1.00 0.05 H new ATOM 149 N TRP A 10 9.407 -23.001 14.180 1.00 3.40 N ATOM 150 CA TRP A 10 9.972 -24.349 14.285 1.00 34.21 C ATOM 151 C TRP A 10 9.833 -24.862 15.723 1.00 43.22 C ATOM 152 O TRP A 10 10.325 -24.235 16.662 1.00 40.11 O ATOM 153 CB TRP A 10 11.446 -24.348 13.854 1.00 55.44 C ATOM 154 CG TRP A 10 11.641 -23.981 12.412 1.00 21.21 C ATOM 155 CD1 TRP A 10 11.524 -22.739 11.858 1.00 3.34 C ATOM 156 CD2 TRP A 10 11.981 -24.868 11.339 1.00 10.13 C ATOM 157 NE1 TRP A 10 11.769 -22.800 10.510 1.00 0.45 N ATOM 158 CE2 TRP A 10 12.048 -24.095 10.165 1.00 54.04 C ATOM 159 CE3 TRP A 10 12.233 -26.240 11.256 1.00 71.05 C ATOM 160 CZ2 TRP A 10 12.358 -24.647 8.926 1.00 52.01 C ATOM 161 CZ3 TRP A 10 12.540 -26.786 10.024 1.00 54.23 C ATOM 162 CH2 TRP A 10 12.598 -25.991 8.873 1.00 65.02 C ATOM 0 H TRP A 10 10.057 -22.254 14.424 1.00 3.40 H new ATOM 0 HA TRP A 10 9.423 -25.015 13.619 1.00 34.21 H new ATOM 0 HB2 TRP A 10 12.000 -23.647 14.479 1.00 55.44 H new ATOM 0 HB3 TRP A 10 11.870 -25.336 14.031 1.00 55.44 H new ATOM 0 HD1 TRP A 10 11.275 -21.840 12.402 1.00 3.34 H new ATOM 0 HE1 TRP A 10 11.747 -22.008 9.868 1.00 0.45 H new ATOM 0 HE3 TRP A 10 12.189 -26.862 12.138 1.00 71.05 H new ATOM 0 HZ2 TRP A 10 12.407 -24.035 8.038 1.00 52.01 H new ATOM 0 HZ3 TRP A 10 12.739 -27.845 9.948 1.00 54.23 H new ATOM 0 HH2 TRP A 10 12.837 -26.449 7.925 1.00 65.02 H new ATOM 173 N MET A 11 9.156 -25.996 15.896 1.00 34.23 N ATOM 174 CA MET A 11 8.846 -26.512 17.235 1.00 73.00 C ATOM 175 C MET A 11 9.025 -28.035 17.329 1.00 42.10 C ATOM 176 O MET A 11 8.790 -28.758 16.364 1.00 41.13 O ATOM 177 CB MET A 11 7.411 -26.129 17.608 1.00 31.01 C ATOM 178 CG MET A 11 6.368 -26.638 16.623 1.00 4.44 C ATOM 179 SD MET A 11 4.728 -25.964 16.941 1.00 74.51 S ATOM 180 CE MET A 11 5.039 -24.212 16.722 1.00 21.02 C ATOM 0 H MET A 11 8.811 -26.576 15.131 1.00 34.23 H new ATOM 0 HA MET A 11 9.549 -26.062 17.936 1.00 73.00 H new ATOM 0 HB2 MET A 11 7.185 -26.522 18.599 1.00 31.01 H new ATOM 0 HB3 MET A 11 7.339 -25.043 17.672 1.00 31.01 H new ATOM 0 HG2 MET A 11 6.673 -26.378 15.609 1.00 4.44 H new ATOM 0 HG3 MET A 11 6.326 -27.726 16.674 1.00 4.44 H new ATOM 0 HE1 MET A 11 4.134 -23.724 16.359 1.00 21.02 H new ATOM 0 HE2 MET A 11 5.330 -23.772 17.676 1.00 21.02 H new ATOM 0 HE3 MET A 11 5.842 -24.073 15.998 1.00 21.02 H new ATOM 190 N VAL A 12 9.434 -28.510 18.502 1.00 52.12 N ATOM 191 CA VAL A 12 9.638 -29.945 18.729 1.00 43.21 C ATOM 192 C VAL A 12 8.323 -30.739 18.616 1.00 30.52 C ATOM 193 O VAL A 12 7.232 -30.167 18.655 1.00 23.11 O ATOM 194 CB VAL A 12 10.283 -30.207 20.113 1.00 74.14 C ATOM 195 CG1 VAL A 12 11.656 -29.540 20.201 1.00 13.45 C ATOM 196 CG2 VAL A 12 9.366 -29.724 21.240 1.00 31.30 C ATOM 0 H VAL A 12 9.632 -27.925 19.314 1.00 52.12 H new ATOM 0 HA VAL A 12 10.315 -30.290 17.948 1.00 43.21 H new ATOM 0 HB VAL A 12 10.420 -31.282 20.229 1.00 74.14 H new ATOM 0 HG11 VAL A 12 12.093 -29.735 21.180 1.00 13.45 H new ATOM 0 HG12 VAL A 12 12.307 -29.944 19.426 1.00 13.45 H new ATOM 0 HG13 VAL A 12 11.548 -28.465 20.060 1.00 13.45 H new ATOM 0 HG21 VAL A 12 9.839 -29.918 22.203 1.00 31.30 H new ATOM 0 HG22 VAL A 12 9.189 -28.654 21.132 1.00 31.30 H new ATOM 0 HG23 VAL A 12 8.416 -30.256 21.189 1.00 31.30 H new ATOM 206 N GLU A 13 8.441 -32.061 18.506 1.00 1.34 N ATOM 207 CA GLU A 13 7.285 -32.946 18.277 1.00 33.42 C ATOM 208 C GLU A 13 6.216 -32.781 19.371 1.00 61.25 C ATOM 209 O GLU A 13 5.016 -32.721 19.083 1.00 13.20 O ATOM 210 CB GLU A 13 7.760 -34.407 18.207 1.00 73.23 C ATOM 211 CG GLU A 13 6.733 -35.381 17.634 1.00 53.44 C ATOM 212 CD GLU A 13 7.281 -36.797 17.514 1.00 14.13 C ATOM 213 OE1 GLU A 13 8.327 -36.981 16.851 1.00 35.25 O ATOM 214 OE2 GLU A 13 6.675 -37.730 18.083 1.00 33.32 O ATOM 0 H GLU A 13 9.332 -32.553 18.572 1.00 1.34 H new ATOM 0 HA GLU A 13 6.825 -32.666 17.329 1.00 33.42 H new ATOM 0 HB2 GLU A 13 8.664 -34.453 17.599 1.00 73.23 H new ATOM 0 HB3 GLU A 13 8.033 -34.735 19.210 1.00 73.23 H new ATOM 0 HG2 GLU A 13 5.849 -35.389 18.271 1.00 53.44 H new ATOM 0 HG3 GLU A 13 6.415 -35.033 16.651 1.00 53.44 H new ATOM 221 N LYS A 14 6.664 -32.694 20.624 1.00 62.40 N ATOM 222 CA LYS A 14 5.765 -32.480 21.766 1.00 55.42 C ATOM 223 C LYS A 14 4.971 -31.168 21.614 1.00 54.12 C ATOM 224 O LYS A 14 3.775 -31.120 21.890 1.00 22.11 O ATOM 225 CB LYS A 14 6.583 -32.480 23.075 1.00 70.54 C ATOM 226 CG LYS A 14 5.751 -32.354 24.358 1.00 45.04 C ATOM 227 CD LYS A 14 5.508 -30.896 24.762 1.00 52.43 C ATOM 228 CE LYS A 14 6.802 -30.188 25.158 1.00 23.15 C ATOM 229 NZ LYS A 14 6.563 -28.798 25.635 1.00 15.31 N ATOM 0 H LYS A 14 7.649 -32.769 20.878 1.00 62.40 H new ATOM 0 HA LYS A 14 5.042 -33.295 21.798 1.00 55.42 H new ATOM 0 HB2 LYS A 14 7.162 -33.402 23.124 1.00 70.54 H new ATOM 0 HB3 LYS A 14 7.297 -31.657 23.040 1.00 70.54 H new ATOM 0 HG2 LYS A 14 4.792 -32.852 24.215 1.00 45.04 H new ATOM 0 HG3 LYS A 14 6.261 -32.872 25.170 1.00 45.04 H new ATOM 0 HD2 LYS A 14 5.042 -30.363 23.933 1.00 52.43 H new ATOM 0 HD3 LYS A 14 4.807 -30.863 25.596 1.00 52.43 H new ATOM 0 HE2 LYS A 14 7.300 -30.758 25.942 1.00 23.15 H new ATOM 0 HE3 LYS A 14 7.477 -30.165 24.303 1.00 23.15 H new ATOM 0 HZ1 LYS A 14 7.470 -28.358 25.892 1.00 15.31 H new ATOM 0 HZ2 LYS A 14 6.112 -28.244 24.879 1.00 15.31 H new ATOM 0 HZ3 LYS A 14 5.940 -28.819 26.468 1.00 15.31 H new ATOM 243 N ALA A 15 5.641 -30.108 21.167 1.00 53.01 N ATOM 244 CA ALA A 15 4.988 -28.808 20.974 1.00 74.13 C ATOM 245 C ALA A 15 4.069 -28.823 19.743 1.00 43.12 C ATOM 246 O ALA A 15 2.979 -28.241 19.751 1.00 72.33 O ATOM 247 CB ALA A 15 6.041 -27.710 20.845 1.00 41.12 C ATOM 0 H ALA A 15 6.633 -30.120 20.931 1.00 53.01 H new ATOM 0 HA ALA A 15 4.367 -28.604 21.847 1.00 74.13 H new ATOM 0 HB1 ALA A 15 5.548 -26.748 20.702 1.00 41.12 H new ATOM 0 HB2 ALA A 15 6.645 -27.677 21.752 1.00 41.12 H new ATOM 0 HB3 ALA A 15 6.682 -27.920 19.989 1.00 41.12 H new ATOM 253 N LEU A 16 4.511 -29.517 18.698 1.00 25.11 N ATOM 254 CA LEU A 16 3.781 -29.577 17.431 1.00 43.33 C ATOM 255 C LEU A 16 2.406 -30.248 17.600 1.00 44.31 C ATOM 256 O LEU A 16 1.392 -29.733 17.118 1.00 72.41 O ATOM 257 CB LEU A 16 4.639 -30.316 16.383 1.00 21.13 C ATOM 258 CG LEU A 16 4.154 -30.246 14.918 1.00 12.42 C ATOM 259 CD1 LEU A 16 3.007 -31.223 14.651 1.00 42.50 C ATOM 260 CD2 LEU A 16 3.740 -28.816 14.555 1.00 63.21 C ATOM 0 H LEU A 16 5.380 -30.051 18.703 1.00 25.11 H new ATOM 0 HA LEU A 16 3.593 -28.560 17.086 1.00 43.33 H new ATOM 0 HB2 LEU A 16 5.651 -29.914 16.426 1.00 21.13 H new ATOM 0 HB3 LEU A 16 4.701 -31.365 16.672 1.00 21.13 H new ATOM 0 HG LEU A 16 4.989 -30.541 14.283 1.00 12.42 H new ATOM 0 HD11 LEU A 16 2.695 -31.142 13.610 1.00 42.50 H new ATOM 0 HD12 LEU A 16 3.342 -32.241 14.852 1.00 42.50 H new ATOM 0 HD13 LEU A 16 2.166 -30.983 15.301 1.00 42.50 H new ATOM 0 HD21 LEU A 16 3.401 -28.787 13.519 1.00 63.21 H new ATOM 0 HD22 LEU A 16 2.931 -28.494 15.210 1.00 63.21 H new ATOM 0 HD23 LEU A 16 4.593 -28.148 14.677 1.00 63.21 H new ATOM 272 N MET A 17 2.370 -31.392 18.288 1.00 32.42 N ATOM 273 CA MET A 17 1.107 -32.110 18.519 1.00 21.10 C ATOM 274 C MET A 17 0.092 -31.233 19.282 1.00 2.32 C ATOM 275 O MET A 17 -1.118 -31.339 19.075 1.00 23.40 O ATOM 276 CB MET A 17 1.359 -33.421 19.282 1.00 23.45 C ATOM 277 CG MET A 17 1.937 -33.232 20.678 1.00 43.34 C ATOM 278 SD MET A 17 2.181 -34.794 21.547 1.00 25.12 S ATOM 279 CE MET A 17 3.402 -35.585 20.500 1.00 64.30 C ATOM 0 H MET A 17 3.192 -31.841 18.693 1.00 32.42 H new ATOM 0 HA MET A 17 0.681 -32.348 17.545 1.00 21.10 H new ATOM 0 HB2 MET A 17 0.419 -33.968 19.361 1.00 23.45 H new ATOM 0 HB3 MET A 17 2.041 -34.041 18.700 1.00 23.45 H new ATOM 0 HG2 MET A 17 2.890 -32.709 20.604 1.00 43.34 H new ATOM 0 HG3 MET A 17 1.269 -32.597 21.260 1.00 43.34 H new ATOM 0 HE1 MET A 17 3.911 -36.368 21.062 1.00 64.30 H new ATOM 0 HE2 MET A 17 2.908 -36.023 19.633 1.00 64.30 H new ATOM 0 HE3 MET A 17 4.130 -34.845 20.168 1.00 64.30 H new ATOM 289 N VAL A 18 0.596 -30.360 20.156 1.00 45.12 N ATOM 290 CA VAL A 18 -0.255 -29.431 20.913 1.00 24.44 C ATOM 291 C VAL A 18 -0.800 -28.308 20.008 1.00 21.42 C ATOM 292 O VAL A 18 -1.912 -27.816 20.205 1.00 41.23 O ATOM 293 CB VAL A 18 0.524 -28.805 22.102 1.00 4.01 C ATOM 294 CG1 VAL A 18 -0.360 -27.851 22.906 1.00 54.04 C ATOM 295 CG2 VAL A 18 1.102 -29.898 23.001 1.00 3.12 C ATOM 0 H VAL A 18 1.592 -30.274 20.360 1.00 45.12 H new ATOM 0 HA VAL A 18 -1.094 -30.008 21.302 1.00 24.44 H new ATOM 0 HB VAL A 18 1.350 -28.223 21.692 1.00 4.01 H new ATOM 0 HG11 VAL A 18 0.215 -27.430 23.731 1.00 54.04 H new ATOM 0 HG12 VAL A 18 -0.709 -27.046 22.259 1.00 54.04 H new ATOM 0 HG13 VAL A 18 -1.217 -28.396 23.302 1.00 54.04 H new ATOM 0 HG21 VAL A 18 1.644 -29.440 23.828 1.00 3.12 H new ATOM 0 HG22 VAL A 18 0.292 -30.512 23.394 1.00 3.12 H new ATOM 0 HG23 VAL A 18 1.783 -30.523 22.423 1.00 3.12 H new ATOM 305 N ARG A 19 -0.005 -27.915 19.014 1.00 41.10 N ATOM 306 CA ARG A 19 -0.387 -26.861 18.062 1.00 70.51 C ATOM 307 C ARG A 19 -1.395 -27.357 17.008 1.00 12.35 C ATOM 308 O ARG A 19 -2.359 -26.662 16.680 1.00 52.14 O ATOM 309 CB ARG A 19 0.864 -26.331 17.345 1.00 12.21 C ATOM 310 CG ARG A 19 1.788 -25.490 18.218 1.00 30.43 C ATOM 311 CD ARG A 19 1.216 -24.099 18.480 1.00 24.32 C ATOM 312 NE ARG A 19 2.207 -23.207 19.082 1.00 1.52 N ATOM 313 CZ ARG A 19 2.751 -22.191 18.463 1.00 3.21 C ATOM 314 NH1 ARG A 19 2.377 -21.870 17.262 1.00 5.22 N ATOM 315 NH2 ARG A 19 3.656 -21.481 19.051 1.00 21.14 N ATOM 0 H ARG A 19 0.918 -28.313 18.842 1.00 41.10 H new ATOM 0 HA ARG A 19 -0.866 -26.069 18.637 1.00 70.51 H new ATOM 0 HB2 ARG A 19 1.428 -27.177 16.953 1.00 12.21 H new ATOM 0 HB3 ARG A 19 0.550 -25.733 16.490 1.00 12.21 H new ATOM 0 HG2 ARG A 19 1.953 -25.999 19.168 1.00 30.43 H new ATOM 0 HG3 ARG A 19 2.760 -25.397 17.733 1.00 30.43 H new ATOM 0 HD2 ARG A 19 0.862 -23.669 17.543 1.00 24.32 H new ATOM 0 HD3 ARG A 19 0.352 -24.180 19.140 1.00 24.32 H new ATOM 0 HE ARG A 19 2.492 -23.389 20.045 1.00 1.52 H new ATOM 0 HH11 ARG A 19 1.652 -22.412 16.792 1.00 5.22 H new ATOM 0 HH12 ARG A 19 2.808 -21.076 16.789 1.00 5.22 H new ATOM 0 HH21 ARG A 19 3.948 -21.712 20.001 1.00 21.14 H new ATOM 0 HH22 ARG A 19 4.078 -20.689 18.566 1.00 21.14 H new ATOM 329 N THR A 20 -1.158 -28.554 16.476 1.00 12.14 N ATOM 330 CA THR A 20 -1.954 -29.082 15.355 1.00 73.24 C ATOM 331 C THR A 20 -3.133 -29.950 15.814 1.00 33.10 C ATOM 332 O THR A 20 -4.138 -30.067 15.106 1.00 73.23 O ATOM 333 CB THR A 20 -1.076 -29.925 14.402 1.00 73.22 C ATOM 334 OG1 THR A 20 -0.496 -31.031 15.116 1.00 24.32 O ATOM 335 CG2 THR A 20 0.031 -29.076 13.784 1.00 73.31 C ATOM 0 H THR A 20 -0.422 -29.182 16.799 1.00 12.14 H new ATOM 0 HA THR A 20 -2.349 -28.207 14.839 1.00 73.24 H new ATOM 0 HB THR A 20 -1.711 -30.302 13.600 1.00 73.22 H new ATOM 0 HG1 THR A 20 0.133 -30.693 15.787 1.00 24.32 H new ATOM 0 HG21 THR A 20 0.634 -29.693 13.118 1.00 73.31 H new ATOM 0 HG22 THR A 20 -0.412 -28.257 13.218 1.00 73.31 H new ATOM 0 HG23 THR A 20 0.663 -28.671 14.574 1.00 73.31 H new ATOM 343 N GLY A 21 -3.006 -30.572 16.984 1.00 10.42 N ATOM 344 CA GLY A 21 -4.069 -31.434 17.496 1.00 72.52 C ATOM 345 C GLY A 21 -3.864 -32.907 17.157 1.00 42.12 C ATOM 346 O GLY A 21 -4.681 -33.756 17.523 1.00 22.13 O ATOM 0 H GLY A 21 -2.188 -30.497 17.589 1.00 10.42 H new ATOM 0 HA2 GLY A 21 -4.129 -31.322 18.579 1.00 72.52 H new ATOM 0 HA3 GLY A 21 -5.024 -31.103 17.088 1.00 72.52 H new ATOM 350 N LEU A 22 -2.774 -33.212 16.455 1.00 31.13 N ATOM 351 CA LEU A 22 -2.434 -34.598 16.109 1.00 24.42 C ATOM 352 C LEU A 22 -1.778 -35.330 17.292 1.00 11.12 C ATOM 353 O LEU A 22 -1.379 -34.711 18.282 1.00 41.43 O ATOM 354 CB LEU A 22 -1.487 -34.643 14.894 1.00 51.41 C ATOM 355 CG LEU A 22 -2.133 -34.403 13.515 1.00 32.04 C ATOM 356 CD1 LEU A 22 -2.769 -33.018 13.425 1.00 72.42 C ATOM 357 CD2 LEU A 22 -1.098 -34.595 12.404 1.00 53.13 C ATOM 0 H LEU A 22 -2.108 -32.519 16.113 1.00 31.13 H new ATOM 0 HA LEU A 22 -3.367 -35.104 15.860 1.00 24.42 H new ATOM 0 HB2 LEU A 22 -0.707 -33.896 15.041 1.00 51.41 H new ATOM 0 HB3 LEU A 22 -0.998 -35.617 14.878 1.00 51.41 H new ATOM 0 HG LEU A 22 -2.929 -35.137 13.386 1.00 32.04 H new ATOM 0 HD11 LEU A 22 -3.214 -32.885 12.439 1.00 72.42 H new ATOM 0 HD12 LEU A 22 -3.542 -32.922 14.188 1.00 72.42 H new ATOM 0 HD13 LEU A 22 -2.006 -32.256 13.584 1.00 72.42 H new ATOM 0 HD21 LEU A 22 -1.568 -34.423 11.436 1.00 53.13 H new ATOM 0 HD22 LEU A 22 -0.280 -33.887 12.542 1.00 53.13 H new ATOM 0 HD23 LEU A 22 -0.708 -35.612 12.442 1.00 53.13 H new ATOM 369 N GLY A 23 -1.677 -36.652 17.182 1.00 24.45 N ATOM 370 CA GLY A 23 -0.972 -37.446 18.182 1.00 63.24 C ATOM 371 C GLY A 23 0.394 -37.918 17.693 1.00 21.34 C ATOM 372 O GLY A 23 0.669 -37.903 16.489 1.00 3.13 O ATOM 0 H GLY A 23 -2.073 -37.193 16.414 1.00 24.45 H new ATOM 0 HA2 GLY A 23 -0.846 -36.854 19.089 1.00 63.24 H new ATOM 0 HA3 GLY A 23 -1.579 -38.312 18.448 1.00 63.24 H new ATOM 376 N ALA A 24 1.242 -38.362 18.622 1.00 13.02 N ATOM 377 CA ALA A 24 2.602 -38.807 18.291 1.00 70.32 C ATOM 378 C ALA A 24 2.604 -39.895 17.203 1.00 11.11 C ATOM 379 O ALA A 24 3.415 -39.859 16.276 1.00 42.23 O ATOM 380 CB ALA A 24 3.310 -39.307 19.547 1.00 74.33 C ATOM 0 H ALA A 24 1.012 -38.424 19.614 1.00 13.02 H new ATOM 0 HA ALA A 24 3.142 -37.949 17.891 1.00 70.32 H new ATOM 0 HB1 ALA A 24 4.318 -39.635 19.291 1.00 74.33 H new ATOM 0 HB2 ALA A 24 3.366 -38.501 20.279 1.00 74.33 H new ATOM 0 HB3 ALA A 24 2.753 -40.143 19.970 1.00 74.33 H new ATOM 386 N ARG A 25 1.673 -40.847 17.312 1.00 2.40 N ATOM 387 CA ARG A 25 1.574 -41.952 16.344 1.00 1.45 C ATOM 388 C ARG A 25 1.259 -41.428 14.929 1.00 50.22 C ATOM 389 O ARG A 25 1.713 -41.986 13.929 1.00 55.01 O ATOM 390 CB ARG A 25 0.491 -42.956 16.774 1.00 32.52 C ATOM 391 CG ARG A 25 0.575 -43.395 18.234 1.00 42.10 C ATOM 392 CD ARG A 25 1.893 -44.084 18.578 1.00 41.40 C ATOM 393 NE ARG A 25 1.897 -44.546 19.967 1.00 71.22 N ATOM 394 CZ ARG A 25 2.885 -45.170 20.544 1.00 35.41 C ATOM 395 NH1 ARG A 25 3.990 -45.404 19.914 1.00 70.33 N ATOM 396 NH2 ARG A 25 2.764 -45.552 21.770 1.00 72.23 N ATOM 0 H ARG A 25 0.977 -40.878 18.057 1.00 2.40 H new ATOM 0 HA ARG A 25 2.541 -42.455 16.322 1.00 1.45 H new ATOM 0 HB2 ARG A 25 -0.489 -42.511 16.598 1.00 32.52 H new ATOM 0 HB3 ARG A 25 0.560 -43.839 16.138 1.00 32.52 H new ATOM 0 HG2 ARG A 25 0.449 -42.524 18.877 1.00 42.10 H new ATOM 0 HG3 ARG A 25 -0.250 -44.073 18.451 1.00 42.10 H new ATOM 0 HD2 ARG A 25 2.050 -44.930 17.909 1.00 41.40 H new ATOM 0 HD3 ARG A 25 2.721 -43.393 18.418 1.00 41.40 H new ATOM 0 HE ARG A 25 1.063 -44.366 20.526 1.00 71.22 H new ATOM 0 HH11 ARG A 25 4.100 -45.099 18.947 1.00 70.33 H new ATOM 0 HH12 ARG A 25 4.751 -45.894 20.384 1.00 70.33 H new ATOM 0 HH21 ARG A 25 1.900 -45.365 22.280 1.00 72.23 H new ATOM 0 HH22 ARG A 25 3.532 -46.041 22.230 1.00 72.23 H new ATOM 410 N GLN A 26 0.483 -40.348 14.856 1.00 70.40 N ATOM 411 CA GLN A 26 0.116 -39.745 13.570 1.00 23.12 C ATOM 412 C GLN A 26 1.309 -39.019 12.930 1.00 31.41 C ATOM 413 O GLN A 26 1.602 -39.209 11.749 1.00 32.34 O ATOM 414 CB GLN A 26 -1.052 -38.764 13.751 1.00 21.41 C ATOM 415 CG GLN A 26 -2.328 -39.412 14.277 1.00 25.41 C ATOM 416 CD GLN A 26 -3.456 -38.413 14.478 1.00 52.10 C ATOM 417 OE1 GLN A 26 -3.599 -37.829 15.545 1.00 13.05 O ATOM 418 NE2 GLN A 26 -4.264 -38.209 13.459 1.00 21.30 N ATOM 0 H GLN A 26 0.095 -39.871 15.670 1.00 70.40 H new ATOM 0 HA GLN A 26 -0.191 -40.552 12.904 1.00 23.12 H new ATOM 0 HB2 GLN A 26 -0.747 -37.975 14.438 1.00 21.41 H new ATOM 0 HB3 GLN A 26 -1.266 -38.288 12.794 1.00 21.41 H new ATOM 0 HG2 GLN A 26 -2.652 -40.184 13.579 1.00 25.41 H new ATOM 0 HG3 GLN A 26 -2.115 -39.908 15.224 1.00 25.41 H new ATOM 0 HE21 GLN A 26 -4.118 -38.712 12.584 1.00 21.30 H new ATOM 0 HE22 GLN A 26 -5.036 -37.548 13.545 1.00 21.30 H new ATOM 427 N ILE A 27 1.994 -38.191 13.718 1.00 21.25 N ATOM 428 CA ILE A 27 3.141 -37.422 13.222 1.00 12.41 C ATOM 429 C ILE A 27 4.222 -38.346 12.635 1.00 71.34 C ATOM 430 O ILE A 27 4.679 -38.148 11.506 1.00 71.02 O ATOM 431 CB ILE A 27 3.764 -36.545 14.340 1.00 21.21 C ATOM 432 CG1 ILE A 27 2.688 -35.652 14.985 1.00 2.51 C ATOM 433 CG2 ILE A 27 4.905 -35.690 13.776 1.00 54.13 C ATOM 434 CD1 ILE A 27 3.191 -34.820 16.147 1.00 5.45 C ATOM 0 H ILE A 27 1.777 -38.034 14.702 1.00 21.25 H new ATOM 0 HA ILE A 27 2.765 -36.770 12.433 1.00 12.41 H new ATOM 0 HB ILE A 27 4.173 -37.202 15.108 1.00 21.21 H new ATOM 0 HG12 ILE A 27 2.280 -34.986 14.225 1.00 2.51 H new ATOM 0 HG13 ILE A 27 1.868 -36.281 15.331 1.00 2.51 H new ATOM 0 HG21 ILE A 27 5.331 -35.081 14.573 1.00 54.13 H new ATOM 0 HG22 ILE A 27 5.677 -36.340 13.364 1.00 54.13 H new ATOM 0 HG23 ILE A 27 4.519 -35.041 12.990 1.00 54.13 H new ATOM 0 HD11 ILE A 27 2.373 -34.220 16.545 1.00 5.45 H new ATOM 0 HD12 ILE A 27 3.572 -35.478 16.928 1.00 5.45 H new ATOM 0 HD13 ILE A 27 3.990 -34.163 15.805 1.00 5.45 H new ATOM 446 N GLU A 28 4.617 -39.367 13.401 1.00 64.41 N ATOM 447 CA GLU A 28 5.618 -40.338 12.938 1.00 64.24 C ATOM 448 C GLU A 28 5.131 -41.098 11.689 1.00 61.41 C ATOM 449 O GLU A 28 5.924 -41.442 10.812 1.00 0.01 O ATOM 450 CB GLU A 28 5.971 -41.327 14.057 1.00 52.33 C ATOM 451 CG GLU A 28 4.788 -42.152 14.546 1.00 23.52 C ATOM 452 CD GLU A 28 5.160 -43.089 15.681 1.00 34.31 C ATOM 453 OE1 GLU A 28 5.559 -42.594 16.759 1.00 14.32 O ATOM 454 OE2 GLU A 28 5.074 -44.323 15.501 1.00 13.04 O ATOM 0 H GLU A 28 4.262 -39.544 14.341 1.00 64.41 H new ATOM 0 HA GLU A 28 6.514 -39.781 12.665 1.00 64.24 H new ATOM 0 HB2 GLU A 28 6.749 -42.002 13.700 1.00 52.33 H new ATOM 0 HB3 GLU A 28 6.389 -40.775 14.899 1.00 52.33 H new ATOM 0 HG2 GLU A 28 3.995 -41.482 14.878 1.00 23.52 H new ATOM 0 HG3 GLU A 28 4.387 -42.734 13.716 1.00 23.52 H new ATOM 461 N SER A 29 3.822 -41.345 11.613 1.00 74.01 N ATOM 462 CA SER A 29 3.217 -42.002 10.444 1.00 44.44 C ATOM 463 C SER A 29 3.384 -41.146 9.178 1.00 33.22 C ATOM 464 O SER A 29 3.650 -41.666 8.091 1.00 73.00 O ATOM 465 CB SER A 29 1.726 -42.280 10.696 1.00 34.12 C ATOM 466 OG SER A 29 1.122 -42.929 9.587 1.00 72.54 O ATOM 0 H SER A 29 3.156 -41.101 12.346 1.00 74.01 H new ATOM 0 HA SER A 29 3.735 -42.949 10.289 1.00 44.44 H new ATOM 0 HB2 SER A 29 1.616 -42.900 11.586 1.00 34.12 H new ATOM 0 HB3 SER A 29 1.209 -41.342 10.895 1.00 34.12 H new ATOM 0 HG SER A 29 0.175 -43.093 9.780 1.00 72.54 H new ATOM 472 N TYR A 30 3.240 -39.828 9.326 1.00 52.23 N ATOM 473 CA TYR A 30 3.426 -38.896 8.203 1.00 73.12 C ATOM 474 C TYR A 30 4.918 -38.623 7.937 1.00 71.44 C ATOM 475 O TYR A 30 5.293 -38.128 6.870 1.00 1.54 O ATOM 476 CB TYR A 30 2.679 -37.580 8.468 1.00 52.02 C ATOM 477 CG TYR A 30 1.179 -37.754 8.656 1.00 24.41 C ATOM 478 CD1 TYR A 30 0.426 -38.497 7.748 1.00 4.31 C ATOM 479 CD2 TYR A 30 0.518 -37.185 9.742 1.00 54.14 C ATOM 480 CE1 TYR A 30 -0.937 -38.666 7.918 1.00 70.42 C ATOM 481 CE2 TYR A 30 -0.845 -37.352 9.918 1.00 63.12 C ATOM 482 CZ TYR A 30 -1.569 -38.093 9.003 1.00 52.31 C ATOM 483 OH TYR A 30 -2.928 -38.268 9.179 1.00 23.42 O ATOM 0 H TYR A 30 2.996 -39.379 10.209 1.00 52.23 H new ATOM 0 HA TYR A 30 3.010 -39.364 7.311 1.00 73.12 H new ATOM 0 HB2 TYR A 30 3.095 -37.109 9.359 1.00 52.02 H new ATOM 0 HB3 TYR A 30 2.855 -36.899 7.636 1.00 52.02 H new ATOM 0 HD1 TYR A 30 0.915 -38.948 6.897 1.00 4.31 H new ATOM 0 HD2 TYR A 30 1.078 -36.604 10.459 1.00 54.14 H new ATOM 0 HE1 TYR A 30 -1.504 -39.244 7.204 1.00 70.42 H new ATOM 0 HE2 TYR A 30 -1.341 -36.905 10.767 1.00 63.12 H new ATOM 0 HH TYR A 30 -3.215 -37.801 9.991 1.00 23.42 H new ATOM 493 N ARG A 31 5.770 -38.950 8.912 1.00 10.25 N ATOM 494 CA ARG A 31 7.227 -38.839 8.740 1.00 54.23 C ATOM 495 C ARG A 31 7.763 -39.871 7.741 1.00 71.13 C ATOM 496 O ARG A 31 8.919 -39.804 7.326 1.00 75.12 O ATOM 497 CB ARG A 31 7.961 -38.987 10.082 1.00 72.31 C ATOM 498 CG ARG A 31 7.793 -37.793 11.017 1.00 30.43 C ATOM 499 CD ARG A 31 8.689 -37.907 12.245 1.00 54.22 C ATOM 500 NE ARG A 31 10.098 -38.051 11.878 1.00 70.11 N ATOM 501 CZ ARG A 31 11.091 -37.998 12.722 1.00 31.02 C ATOM 502 NH1 ARG A 31 10.881 -37.776 13.979 1.00 5.22 N ATOM 503 NH2 ARG A 31 12.300 -38.156 12.298 1.00 3.23 N ATOM 0 H ARG A 31 5.480 -39.293 9.828 1.00 10.25 H new ATOM 0 HA ARG A 31 7.419 -37.843 8.341 1.00 54.23 H new ATOM 0 HB2 ARG A 31 7.599 -39.883 10.585 1.00 72.31 H new ATOM 0 HB3 ARG A 31 9.023 -39.137 9.889 1.00 72.31 H new ATOM 0 HG2 ARG A 31 8.028 -36.874 10.480 1.00 30.43 H new ATOM 0 HG3 ARG A 31 6.752 -37.721 11.332 1.00 30.43 H new ATOM 0 HD2 ARG A 31 8.565 -37.022 12.869 1.00 54.22 H new ATOM 0 HD3 ARG A 31 8.380 -38.765 12.842 1.00 54.22 H new ATOM 0 HE ARG A 31 10.319 -38.203 10.894 1.00 70.11 H new ATOM 0 HH11 ARG A 31 9.930 -37.640 14.321 1.00 5.22 H new ATOM 0 HH12 ARG A 31 11.667 -37.737 14.628 1.00 5.22 H new ATOM 0 HH21 ARG A 31 12.475 -38.321 11.307 1.00 3.23 H new ATOM 0 HH22 ARG A 31 13.080 -38.115 12.954 1.00 3.23 H new ATOM 517 N GLN A 32 6.922 -40.828 7.363 1.00 62.11 N ATOM 518 CA GLN A 32 7.307 -41.866 6.404 1.00 21.10 C ATOM 519 C GLN A 32 7.163 -41.380 4.946 1.00 51.51 C ATOM 520 O GLN A 32 7.398 -42.141 4.005 1.00 34.14 O ATOM 521 CB GLN A 32 6.453 -43.121 6.635 1.00 44.03 C ATOM 522 CG GLN A 32 6.492 -43.626 8.075 1.00 12.53 C ATOM 523 CD GLN A 32 5.642 -44.867 8.290 1.00 41.54 C ATOM 524 OE1 GLN A 32 4.644 -45.082 7.609 1.00 0.53 O ATOM 525 NE2 GLN A 32 6.021 -45.689 9.243 1.00 11.30 N ATOM 0 H GLN A 32 5.965 -40.909 7.706 1.00 62.11 H new ATOM 0 HA GLN A 32 8.359 -42.104 6.565 1.00 21.10 H new ATOM 0 HB2 GLN A 32 5.420 -42.904 6.362 1.00 44.03 H new ATOM 0 HB3 GLN A 32 6.798 -43.913 5.971 1.00 44.03 H new ATOM 0 HG2 GLN A 32 7.524 -43.846 8.349 1.00 12.53 H new ATOM 0 HG3 GLN A 32 6.147 -42.835 8.741 1.00 12.53 H new ATOM 0 HE21 GLN A 32 6.855 -45.483 9.792 1.00 11.30 H new ATOM 0 HE22 GLN A 32 5.481 -46.533 9.433 1.00 11.30 H new ATOM 534 N GLY A 33 6.778 -40.113 4.761 1.00 22.44 N ATOM 535 CA GLY A 33 6.633 -39.567 3.412 1.00 32.23 C ATOM 536 C GLY A 33 6.423 -38.051 3.370 1.00 25.43 C ATOM 537 O GLY A 33 7.244 -37.321 2.804 1.00 71.33 O ATOM 0 H GLY A 33 6.565 -39.459 5.514 1.00 22.44 H new ATOM 0 HA2 GLY A 33 7.523 -39.816 2.833 1.00 32.23 H new ATOM 0 HA3 GLY A 33 5.789 -40.054 2.924 1.00 32.23 H new ATOM 541 N ALA A 34 5.327 -37.579 3.966 1.00 63.13 N ATOM 542 CA ALA A 34 4.947 -36.158 3.907 1.00 54.34 C ATOM 543 C ALA A 34 6.002 -35.227 4.536 1.00 32.24 C ATOM 544 O ALA A 34 6.338 -34.181 3.971 1.00 44.23 O ATOM 545 CB ALA A 34 3.591 -35.956 4.575 1.00 2.41 C ATOM 0 H ALA A 34 4.680 -38.160 4.499 1.00 63.13 H new ATOM 0 HA ALA A 34 4.883 -35.886 2.853 1.00 54.34 H new ATOM 0 HB1 ALA A 34 3.316 -34.902 4.528 1.00 2.41 H new ATOM 0 HB2 ALA A 34 2.838 -36.551 4.058 1.00 2.41 H new ATOM 0 HB3 ALA A 34 3.648 -36.270 5.617 1.00 2.41 H new ATOM 551 N TRP A 35 6.513 -35.591 5.710 1.00 13.04 N ATOM 552 CA TRP A 35 7.544 -34.784 6.379 1.00 73.11 C ATOM 553 C TRP A 35 8.895 -34.894 5.647 1.00 60.42 C ATOM 554 O TRP A 35 9.592 -35.903 5.753 1.00 2.21 O ATOM 555 CB TRP A 35 7.724 -35.231 7.839 1.00 13.41 C ATOM 556 CG TRP A 35 6.729 -34.693 8.843 1.00 64.20 C ATOM 557 CD1 TRP A 35 6.981 -34.486 10.169 1.00 13.31 C ATOM 558 CD2 TRP A 35 5.356 -34.302 8.638 1.00 74.41 C ATOM 559 NE1 TRP A 35 5.866 -34.006 10.800 1.00 13.22 N ATOM 560 CE2 TRP A 35 4.857 -33.882 9.888 1.00 43.43 C ATOM 561 CE3 TRP A 35 4.497 -34.266 7.536 1.00 13.02 C ATOM 562 CZ2 TRP A 35 3.552 -33.433 10.061 1.00 11.05 C ATOM 563 CZ3 TRP A 35 3.201 -33.817 7.711 1.00 10.15 C ATOM 564 CH2 TRP A 35 2.740 -33.408 8.965 1.00 12.33 C ATOM 0 H TRP A 35 6.236 -36.431 6.218 1.00 13.04 H new ATOM 0 HA TRP A 35 7.210 -33.747 6.357 1.00 73.11 H new ATOM 0 HB2 TRP A 35 7.682 -36.320 7.869 1.00 13.41 H new ATOM 0 HB3 TRP A 35 8.724 -34.941 8.162 1.00 13.41 H new ATOM 0 HD1 TRP A 35 7.928 -34.675 10.652 1.00 13.31 H new ATOM 0 HE1 TRP A 35 5.799 -33.778 11.792 1.00 13.22 H new ATOM 0 HE3 TRP A 35 4.840 -34.584 6.563 1.00 13.02 H new ATOM 0 HZ2 TRP A 35 3.194 -33.115 11.029 1.00 11.05 H new ATOM 0 HZ3 TRP A 35 2.533 -33.782 6.863 1.00 10.15 H new ATOM 0 HH2 TRP A 35 1.721 -33.065 9.069 1.00 12.33 H new ATOM 575 N ILE A 36 9.256 -33.850 4.908 1.00 14.12 N ATOM 576 CA ILE A 36 10.535 -33.810 4.187 1.00 52.12 C ATOM 577 C ILE A 36 11.647 -33.204 5.059 1.00 72.12 C ATOM 578 O ILE A 36 11.531 -32.060 5.514 1.00 4.41 O ATOM 579 CB ILE A 36 10.412 -32.983 2.882 1.00 30.21 C ATOM 580 CG1 ILE A 36 9.285 -33.541 1.997 1.00 50.13 C ATOM 581 CG2 ILE A 36 11.741 -32.973 2.125 1.00 30.53 C ATOM 582 CD1 ILE A 36 9.050 -32.743 0.730 1.00 75.21 C ATOM 0 H ILE A 36 8.682 -33.015 4.789 1.00 14.12 H new ATOM 0 HA ILE A 36 10.794 -34.839 3.940 1.00 52.12 H new ATOM 0 HB ILE A 36 10.163 -31.955 3.146 1.00 30.21 H new ATOM 0 HG12 ILE A 36 9.523 -34.570 1.728 1.00 50.13 H new ATOM 0 HG13 ILE A 36 8.361 -33.568 2.575 1.00 50.13 H new ATOM 0 HG21 ILE A 36 11.635 -32.388 1.212 1.00 30.53 H new ATOM 0 HG22 ILE A 36 12.514 -32.530 2.753 1.00 30.53 H new ATOM 0 HG23 ILE A 36 12.022 -33.995 1.870 1.00 30.53 H new ATOM 0 HD11 ILE A 36 8.241 -33.198 0.158 1.00 75.21 H new ATOM 0 HD12 ILE A 36 8.780 -31.719 0.990 1.00 75.21 H new ATOM 0 HD13 ILE A 36 9.960 -32.737 0.130 1.00 75.21 H new ATOM 594 N GLU A 37 12.717 -33.967 5.289 1.00 15.32 N ATOM 595 CA GLU A 37 13.857 -33.489 6.090 1.00 33.31 C ATOM 596 C GLU A 37 14.476 -32.234 5.445 1.00 41.31 C ATOM 597 O GLU A 37 14.741 -32.206 4.242 1.00 33.00 O ATOM 598 CB GLU A 37 14.916 -34.602 6.227 1.00 31.23 C ATOM 599 CG GLU A 37 15.709 -34.580 7.541 1.00 23.43 C ATOM 600 CD GLU A 37 16.544 -33.320 7.742 1.00 51.30 C ATOM 601 OE1 GLU A 37 17.664 -33.246 7.198 1.00 41.12 O ATOM 602 OE2 GLU A 37 16.091 -32.398 8.450 1.00 61.42 O ATOM 0 H GLU A 37 12.823 -34.918 4.935 1.00 15.32 H new ATOM 0 HA GLU A 37 13.499 -33.225 7.085 1.00 33.31 H new ATOM 0 HB2 GLU A 37 14.421 -35.568 6.135 1.00 31.23 H new ATOM 0 HB3 GLU A 37 15.616 -34.522 5.395 1.00 31.23 H new ATOM 0 HG2 GLU A 37 15.014 -34.679 8.374 1.00 23.43 H new ATOM 0 HG3 GLU A 37 16.368 -35.448 7.570 1.00 23.43 H new ATOM 609 N GLY A 38 14.700 -31.202 6.251 1.00 43.51 N ATOM 610 CA GLY A 38 15.191 -29.925 5.739 1.00 34.14 C ATOM 611 C GLY A 38 14.071 -28.946 5.389 1.00 23.35 C ATOM 612 O GLY A 38 14.237 -27.730 5.513 1.00 0.01 O ATOM 0 H GLY A 38 14.550 -31.223 7.260 1.00 43.51 H new ATOM 0 HA2 GLY A 38 15.844 -29.469 6.484 1.00 34.14 H new ATOM 0 HA3 GLY A 38 15.797 -30.106 4.851 1.00 34.14 H new ATOM 616 N VAL A 39 12.928 -29.475 4.953 1.00 52.21 N ATOM 617 CA VAL A 39 11.792 -28.640 4.542 1.00 41.40 C ATOM 618 C VAL A 39 10.711 -28.585 5.636 1.00 1.24 C ATOM 619 O VAL A 39 10.567 -27.578 6.328 1.00 71.24 O ATOM 620 CB VAL A 39 11.172 -29.156 3.215 1.00 42.55 C ATOM 621 CG1 VAL A 39 10.043 -28.242 2.739 1.00 63.32 C ATOM 622 CG2 VAL A 39 12.247 -29.294 2.139 1.00 14.12 C ATOM 0 H VAL A 39 12.761 -30.478 4.874 1.00 52.21 H new ATOM 0 HA VAL A 39 12.174 -27.632 4.383 1.00 41.40 H new ATOM 0 HB VAL A 39 10.745 -30.141 3.404 1.00 42.55 H new ATOM 0 HG11 VAL A 39 9.629 -28.630 1.808 1.00 63.32 H new ATOM 0 HG12 VAL A 39 9.260 -28.206 3.497 1.00 63.32 H new ATOM 0 HG13 VAL A 39 10.433 -27.238 2.572 1.00 63.32 H new ATOM 0 HG21 VAL A 39 11.794 -29.657 1.216 1.00 14.12 H new ATOM 0 HG22 VAL A 39 12.709 -28.323 1.959 1.00 14.12 H new ATOM 0 HG23 VAL A 39 13.007 -30.001 2.472 1.00 14.12 H new ATOM 632 N HIS A 40 9.973 -29.685 5.816 1.00 55.22 N ATOM 633 CA HIS A 40 8.887 -29.734 6.812 1.00 53.35 C ATOM 634 C HIS A 40 9.426 -29.907 8.243 1.00 65.14 C ATOM 635 O HIS A 40 8.666 -29.850 9.209 1.00 71.20 O ATOM 636 CB HIS A 40 7.898 -30.865 6.485 1.00 65.42 C ATOM 637 CG HIS A 40 7.035 -30.607 5.282 1.00 42.31 C ATOM 638 ND1 HIS A 40 7.220 -29.543 4.426 1.00 61.42 N ATOM 639 CD2 HIS A 40 5.966 -31.288 4.798 1.00 63.12 C ATOM 640 CE1 HIS A 40 6.310 -29.581 3.474 1.00 30.32 C ATOM 641 NE2 HIS A 40 5.536 -30.627 3.675 1.00 24.31 N ATOM 0 H HIS A 40 10.103 -30.550 5.291 1.00 55.22 H new ATOM 0 HA HIS A 40 8.366 -28.778 6.763 1.00 53.35 H new ATOM 0 HB2 HIS A 40 8.458 -31.786 6.324 1.00 65.42 H new ATOM 0 HB3 HIS A 40 7.255 -31.030 7.350 1.00 65.42 H new ATOM 0 HD2 HIS A 40 5.534 -32.184 5.219 1.00 63.12 H new ATOM 0 HE1 HIS A 40 6.215 -28.873 2.664 1.00 30.32 H new ATOM 0 HE2 HIS A 40 4.746 -30.901 3.091 1.00 24.31 H new ATOM 650 N PHE A 41 10.731 -30.141 8.364 1.00 3.31 N ATOM 651 CA PHE A 41 11.401 -30.241 9.670 1.00 72.01 C ATOM 652 C PHE A 41 12.918 -30.312 9.497 1.00 4.31 C ATOM 653 O PHE A 41 13.415 -30.508 8.391 1.00 45.13 O ATOM 654 CB PHE A 41 10.910 -31.469 10.459 1.00 23.44 C ATOM 655 CG PHE A 41 11.396 -32.793 9.920 1.00 61.15 C ATOM 656 CD1 PHE A 41 10.748 -33.412 8.864 1.00 31.34 C ATOM 657 CD2 PHE A 41 12.501 -33.421 10.481 1.00 64.42 C ATOM 658 CE1 PHE A 41 11.194 -34.626 8.378 1.00 32.22 C ATOM 659 CE2 PHE A 41 12.948 -34.632 9.999 1.00 12.15 C ATOM 660 CZ PHE A 41 12.294 -35.236 8.947 1.00 33.11 C ATOM 0 H PHE A 41 11.356 -30.267 7.568 1.00 3.31 H new ATOM 0 HA PHE A 41 11.149 -29.344 10.235 1.00 72.01 H new ATOM 0 HB2 PHE A 41 11.233 -31.372 11.496 1.00 23.44 H new ATOM 0 HB3 PHE A 41 9.820 -31.471 10.463 1.00 23.44 H new ATOM 0 HD1 PHE A 41 9.886 -32.941 8.416 1.00 31.34 H new ATOM 0 HD2 PHE A 41 13.017 -32.953 11.307 1.00 64.42 H new ATOM 0 HE1 PHE A 41 10.682 -35.098 7.553 1.00 32.22 H new ATOM 0 HE2 PHE A 41 13.809 -35.107 10.445 1.00 12.15 H new ATOM 0 HZ PHE A 41 12.642 -36.186 8.568 1.00 33.11 H new ATOM 670 N LYS A 42 13.648 -30.149 10.589 1.00 64.43 N ATOM 671 CA LYS A 42 15.103 -30.240 10.559 1.00 23.45 C ATOM 672 C LYS A 42 15.670 -30.653 11.922 1.00 71.32 C ATOM 673 O LYS A 42 15.237 -30.173 12.972 1.00 35.15 O ATOM 674 CB LYS A 42 15.700 -28.906 10.074 1.00 21.30 C ATOM 675 CG LYS A 42 17.111 -28.604 10.570 1.00 12.11 C ATOM 676 CD LYS A 42 18.182 -29.572 10.045 1.00 10.14 C ATOM 677 CE LYS A 42 18.436 -29.443 8.542 1.00 0.02 C ATOM 678 NZ LYS A 42 17.518 -30.288 7.731 1.00 53.32 N ATOM 0 H LYS A 42 13.257 -29.952 11.511 1.00 64.43 H new ATOM 0 HA LYS A 42 15.388 -31.021 9.854 1.00 23.45 H new ATOM 0 HB2 LYS A 42 15.708 -28.906 8.984 1.00 21.30 H new ATOM 0 HB3 LYS A 42 15.041 -28.097 10.388 1.00 21.30 H new ATOM 0 HG2 LYS A 42 17.378 -27.589 10.276 1.00 12.11 H new ATOM 0 HG3 LYS A 42 17.115 -28.631 11.660 1.00 12.11 H new ATOM 0 HD2 LYS A 42 19.115 -29.394 10.580 1.00 10.14 H new ATOM 0 HD3 LYS A 42 17.877 -30.594 10.268 1.00 10.14 H new ATOM 0 HE2 LYS A 42 18.320 -28.400 8.246 1.00 0.02 H new ATOM 0 HE3 LYS A 42 19.467 -29.723 8.326 1.00 0.02 H new ATOM 0 HZ1 LYS A 42 17.140 -29.729 6.939 1.00 53.32 H new ATOM 0 HZ2 LYS A 42 18.039 -31.108 7.359 1.00 53.32 H new ATOM 0 HZ3 LYS A 42 16.733 -30.618 8.327 1.00 53.32 H new ATOM 692 N ARG A 43 16.633 -31.566 11.882 1.00 23.35 N ATOM 693 CA ARG A 43 17.329 -32.030 13.084 1.00 5.52 C ATOM 694 C ARG A 43 18.418 -31.027 13.488 1.00 3.30 C ATOM 695 O ARG A 43 19.488 -30.974 12.885 1.00 25.23 O ATOM 696 CB ARG A 43 17.934 -33.416 12.823 1.00 11.34 C ATOM 697 CG ARG A 43 16.888 -34.463 12.448 1.00 62.40 C ATOM 698 CD ARG A 43 17.513 -35.727 11.866 1.00 61.55 C ATOM 699 NE ARG A 43 18.423 -36.386 12.796 1.00 0.52 N ATOM 700 CZ ARG A 43 19.476 -37.060 12.427 1.00 62.44 C ATOM 701 NH1 ARG A 43 19.822 -37.111 11.178 1.00 15.15 N ATOM 702 NH2 ARG A 43 20.199 -37.655 13.314 1.00 22.32 N ATOM 0 H ARG A 43 16.955 -32.007 11.020 1.00 23.35 H new ATOM 0 HA ARG A 43 16.618 -32.106 13.907 1.00 5.52 H new ATOM 0 HB2 ARG A 43 18.668 -33.341 12.021 1.00 11.34 H new ATOM 0 HB3 ARG A 43 18.468 -33.747 13.714 1.00 11.34 H new ATOM 0 HG2 ARG A 43 16.305 -34.723 13.332 1.00 62.40 H new ATOM 0 HG3 ARG A 43 16.195 -34.037 11.723 1.00 62.40 H new ATOM 0 HD2 ARG A 43 16.722 -36.422 11.585 1.00 61.55 H new ATOM 0 HD3 ARG A 43 18.053 -35.473 10.954 1.00 61.55 H new ATOM 0 HE ARG A 43 18.224 -36.315 13.794 1.00 0.52 H new ATOM 0 HH11 ARG A 43 19.269 -36.621 10.475 1.00 15.15 H new ATOM 0 HH12 ARG A 43 20.648 -37.641 10.899 1.00 15.15 H new ATOM 0 HH21 ARG A 43 19.946 -37.597 14.300 1.00 22.32 H new ATOM 0 HH22 ARG A 43 21.024 -38.183 13.029 1.00 22.32 H new ATOM 716 N VAL A 44 18.121 -30.232 14.507 1.00 74.51 N ATOM 717 CA VAL A 44 18.991 -29.134 14.934 1.00 53.31 C ATOM 718 C VAL A 44 19.866 -29.511 16.145 1.00 73.43 C ATOM 719 O VAL A 44 19.434 -30.232 17.049 1.00 64.04 O ATOM 720 CB VAL A 44 18.136 -27.888 15.281 1.00 13.23 C ATOM 721 CG1 VAL A 44 18.999 -26.741 15.794 1.00 5.04 C ATOM 722 CG2 VAL A 44 17.315 -27.446 14.069 1.00 44.02 C ATOM 0 H VAL A 44 17.271 -30.326 15.064 1.00 74.51 H new ATOM 0 HA VAL A 44 19.660 -28.913 14.102 1.00 53.31 H new ATOM 0 HB VAL A 44 17.452 -28.168 16.082 1.00 13.23 H new ATOM 0 HG11 VAL A 44 18.366 -25.885 16.027 1.00 5.04 H new ATOM 0 HG12 VAL A 44 19.527 -27.057 16.694 1.00 5.04 H new ATOM 0 HG13 VAL A 44 19.722 -26.459 15.029 1.00 5.04 H new ATOM 0 HG21 VAL A 44 16.721 -26.570 14.331 1.00 44.02 H new ATOM 0 HG22 VAL A 44 17.986 -27.197 13.247 1.00 44.02 H new ATOM 0 HG23 VAL A 44 16.652 -28.256 13.764 1.00 44.02 H new ATOM 876 N THR A 55 18.231 -32.471 17.943 1.00 34.40 N ATOM 877 CA THR A 55 16.877 -32.084 18.357 1.00 10.00 C ATOM 878 C THR A 55 16.037 -31.709 17.135 1.00 63.03 C ATOM 879 O THR A 55 16.311 -30.718 16.468 1.00 24.00 O ATOM 880 CB THR A 55 16.897 -30.878 19.331 1.00 43.42 C ATOM 881 OG1 THR A 55 17.745 -31.158 20.460 1.00 51.30 O ATOM 882 CG2 THR A 55 15.489 -30.542 19.821 1.00 73.25 C ATOM 0 HA THR A 55 16.441 -32.942 18.868 1.00 10.00 H new ATOM 0 HB THR A 55 17.291 -30.019 18.787 1.00 43.42 H new ATOM 0 HG1 THR A 55 18.475 -31.749 20.182 1.00 51.30 H new ATOM 0 HG21 THR A 55 15.534 -29.692 20.502 1.00 73.25 H new ATOM 0 HG22 THR A 55 14.858 -30.291 18.969 1.00 73.25 H new ATOM 0 HG23 THR A 55 15.070 -31.403 20.342 1.00 73.25 H new ATOM 890 N THR A 56 15.011 -32.494 16.844 1.00 53.24 N ATOM 891 CA THR A 56 14.223 -32.295 15.622 1.00 65.41 C ATOM 892 C THR A 56 13.124 -31.240 15.801 1.00 14.43 C ATOM 893 O THR A 56 12.144 -31.460 16.515 1.00 55.34 O ATOM 894 CB THR A 56 13.579 -33.621 15.146 1.00 31.34 C ATOM 895 OG1 THR A 56 14.598 -34.597 14.870 1.00 61.13 O ATOM 896 CG2 THR A 56 12.728 -33.411 13.897 1.00 24.14 C ATOM 0 H THR A 56 14.701 -33.271 17.428 1.00 53.24 H new ATOM 0 HA THR A 56 14.923 -31.938 14.867 1.00 65.41 H new ATOM 0 HB THR A 56 12.933 -33.980 15.947 1.00 31.34 H new ATOM 0 HG1 THR A 56 14.180 -35.431 14.572 1.00 61.13 H new ATOM 0 HG21 THR A 56 12.291 -34.361 13.590 1.00 24.14 H new ATOM 0 HG22 THR A 56 11.932 -32.699 14.115 1.00 24.14 H new ATOM 0 HG23 THR A 56 13.352 -33.022 13.093 1.00 24.14 H new ATOM 904 N TRP A 57 13.299 -30.095 15.146 1.00 21.12 N ATOM 905 CA TRP A 57 12.283 -29.038 15.139 1.00 13.53 C ATOM 906 C TRP A 57 11.449 -29.108 13.846 1.00 55.45 C ATOM 907 O TRP A 57 11.997 -29.129 12.743 1.00 73.44 O ATOM 908 CB TRP A 57 12.946 -27.657 15.269 1.00 63.34 C ATOM 909 CG TRP A 57 13.761 -27.490 16.525 1.00 5.04 C ATOM 910 CD1 TRP A 57 15.017 -27.971 16.753 1.00 21.43 C ATOM 911 CD2 TRP A 57 13.380 -26.789 17.718 1.00 55.11 C ATOM 912 NE1 TRP A 57 15.441 -27.610 18.007 1.00 31.33 N ATOM 913 CE2 TRP A 57 14.456 -26.885 18.619 1.00 61.01 C ATOM 914 CE3 TRP A 57 12.238 -26.089 18.109 1.00 2.15 C ATOM 915 CZ2 TRP A 57 14.421 -26.308 19.885 1.00 24.41 C ATOM 916 CZ3 TRP A 57 12.201 -25.516 19.366 1.00 40.35 C ATOM 917 CH2 TRP A 57 13.288 -25.628 20.241 1.00 10.24 C ATOM 0 H TRP A 57 14.138 -29.872 14.610 1.00 21.12 H new ATOM 0 HA TRP A 57 11.621 -29.188 15.992 1.00 13.53 H new ATOM 0 HB2 TRP A 57 13.589 -27.490 14.405 1.00 63.34 H new ATOM 0 HB3 TRP A 57 12.173 -26.889 15.244 1.00 63.34 H new ATOM 0 HD1 TRP A 57 15.594 -28.552 16.049 1.00 21.43 H new ATOM 0 HE1 TRP A 57 16.345 -27.845 18.417 1.00 31.33 H new ATOM 0 HE3 TRP A 57 11.396 -25.996 17.439 1.00 2.15 H new ATOM 0 HZ2 TRP A 57 15.258 -26.394 20.562 1.00 24.41 H new ATOM 0 HZ3 TRP A 57 11.321 -24.974 19.678 1.00 40.35 H new ATOM 0 HH2 TRP A 57 13.231 -25.168 21.217 1.00 10.24 H new ATOM 928 N TYR A 58 10.128 -29.162 13.991 1.00 40.30 N ATOM 929 CA TYR A 58 9.211 -29.263 12.846 1.00 44.25 C ATOM 930 C TYR A 58 8.722 -27.881 12.378 1.00 4.33 C ATOM 931 O TYR A 58 8.512 -26.978 13.191 1.00 15.23 O ATOM 932 CB TYR A 58 8.009 -30.140 13.219 1.00 45.42 C ATOM 933 CG TYR A 58 8.385 -31.559 13.607 1.00 51.04 C ATOM 934 CD1 TYR A 58 8.769 -31.869 14.907 1.00 34.21 C ATOM 935 CD2 TYR A 58 8.353 -32.589 12.674 1.00 15.33 C ATOM 936 CE1 TYR A 58 9.110 -33.160 15.262 1.00 43.23 C ATOM 937 CE2 TYR A 58 8.693 -33.882 13.024 1.00 11.32 C ATOM 938 CZ TYR A 58 9.068 -34.163 14.319 1.00 11.51 C ATOM 939 OH TYR A 58 9.403 -35.453 14.670 1.00 20.12 O ATOM 0 H TYR A 58 9.660 -29.138 14.897 1.00 40.30 H new ATOM 0 HA TYR A 58 9.760 -29.717 12.021 1.00 44.25 H new ATOM 0 HB2 TYR A 58 7.475 -29.676 14.048 1.00 45.42 H new ATOM 0 HB3 TYR A 58 7.320 -30.174 12.375 1.00 45.42 H new ATOM 0 HD1 TYR A 58 8.801 -31.087 15.652 1.00 34.21 H new ATOM 0 HD2 TYR A 58 8.057 -32.375 11.658 1.00 15.33 H new ATOM 0 HE1 TYR A 58 9.409 -33.382 16.276 1.00 43.23 H new ATOM 0 HE2 TYR A 58 8.665 -34.669 12.285 1.00 11.32 H new ATOM 0 HH TYR A 58 8.871 -35.730 15.445 1.00 20.12 H new ATOM 949 N ASN A 59 8.538 -27.731 11.065 1.00 33.12 N ATOM 950 CA ASN A 59 8.067 -26.473 10.478 1.00 53.11 C ATOM 951 C ASN A 59 6.533 -26.363 10.563 1.00 42.33 C ATOM 952 O ASN A 59 5.804 -26.865 9.700 1.00 61.02 O ATOM 953 CB ASN A 59 8.555 -26.358 9.025 1.00 64.51 C ATOM 954 CG ASN A 59 8.291 -24.992 8.418 1.00 71.04 C ATOM 955 OD1 ASN A 59 8.143 -23.999 9.123 1.00 5.03 O ATOM 956 ND2 ASN A 59 8.263 -24.923 7.104 1.00 4.43 N ATOM 0 H ASN A 59 8.709 -28.470 10.383 1.00 33.12 H new ATOM 0 HA ASN A 59 8.483 -25.643 11.049 1.00 53.11 H new ATOM 0 HB2 ASN A 59 9.625 -26.565 8.989 1.00 64.51 H new ATOM 0 HB3 ASN A 59 8.062 -27.120 8.421 1.00 64.51 H new ATOM 0 HD21 ASN A 59 8.115 -24.025 6.644 1.00 4.43 H new ATOM 0 HD22 ASN A 59 8.389 -25.768 6.546 1.00 4.43 H new ATOM 963 N TYR A 60 6.060 -25.702 11.623 1.00 5.01 N ATOM 964 CA TYR A 60 4.621 -25.564 11.909 1.00 21.40 C ATOM 965 C TYR A 60 3.804 -25.040 10.702 1.00 5.03 C ATOM 966 O TYR A 60 2.819 -25.673 10.311 1.00 24.14 O ATOM 967 CB TYR A 60 4.423 -24.659 13.140 1.00 73.45 C ATOM 968 CG TYR A 60 2.982 -24.247 13.400 1.00 22.44 C ATOM 969 CD1 TYR A 60 2.078 -25.123 13.991 1.00 64.51 C ATOM 970 CD2 TYR A 60 2.531 -22.973 13.063 1.00 3.44 C ATOM 971 CE1 TYR A 60 0.771 -24.744 14.231 1.00 22.51 C ATOM 972 CE2 TYR A 60 1.226 -22.590 13.299 1.00 73.31 C ATOM 973 CZ TYR A 60 0.352 -23.476 13.886 1.00 12.51 C ATOM 974 OH TYR A 60 -0.952 -23.096 14.124 1.00 14.23 O ATOM 0 H TYR A 60 6.660 -25.246 12.310 1.00 5.01 H new ATOM 0 HA TYR A 60 4.236 -26.562 12.118 1.00 21.40 H new ATOM 0 HB2 TYR A 60 4.803 -25.178 14.020 1.00 73.45 H new ATOM 0 HB3 TYR A 60 5.027 -23.760 13.014 1.00 73.45 H new ATOM 0 HD1 TYR A 60 2.403 -26.115 14.267 1.00 64.51 H new ATOM 0 HD2 TYR A 60 3.215 -22.272 12.609 1.00 3.44 H new ATOM 0 HE1 TYR A 60 0.080 -25.438 14.687 1.00 22.51 H new ATOM 0 HE2 TYR A 60 0.893 -21.600 13.024 1.00 73.31 H new ATOM 0 HH TYR A 60 -1.084 -22.173 13.823 1.00 14.23 H new ATOM 984 N PRO A 61 4.189 -23.889 10.086 1.00 74.13 N ATOM 985 CA PRO A 61 3.450 -23.323 8.938 1.00 63.23 C ATOM 986 C PRO A 61 3.168 -24.353 7.831 1.00 45.53 C ATOM 987 O PRO A 61 2.101 -24.338 7.209 1.00 42.11 O ATOM 988 CB PRO A 61 4.387 -22.221 8.424 1.00 35.13 C ATOM 989 CG PRO A 61 5.157 -21.799 9.631 1.00 21.34 C ATOM 990 CD PRO A 61 5.355 -23.050 10.447 1.00 73.43 C ATOM 0 HA PRO A 61 2.463 -22.967 9.234 1.00 63.23 H new ATOM 0 HB2 PRO A 61 5.047 -22.594 7.641 1.00 35.13 H new ATOM 0 HB3 PRO A 61 3.826 -21.389 7.999 1.00 35.13 H new ATOM 0 HG2 PRO A 61 6.114 -21.359 9.351 1.00 21.34 H new ATOM 0 HG3 PRO A 61 4.613 -21.044 10.198 1.00 21.34 H new ATOM 0 HD2 PRO A 61 6.295 -23.544 10.202 1.00 73.43 H new ATOM 0 HD3 PRO A 61 5.378 -22.833 11.515 1.00 73.43 H new ATOM 998 N GLU A 62 4.122 -25.255 7.598 1.00 13.41 N ATOM 999 CA GLU A 62 3.987 -26.269 6.549 1.00 73.42 C ATOM 1000 C GLU A 62 3.144 -27.473 6.992 1.00 14.34 C ATOM 1001 O GLU A 62 2.494 -28.118 6.169 1.00 35.15 O ATOM 1002 CB GLU A 62 5.362 -26.738 6.074 1.00 35.11 C ATOM 1003 CG GLU A 62 6.039 -25.760 5.121 1.00 45.01 C ATOM 1004 CD GLU A 62 7.128 -26.424 4.306 1.00 13.32 C ATOM 1005 OE1 GLU A 62 8.095 -26.922 4.909 1.00 71.54 O ATOM 1006 OE2 GLU A 62 7.000 -26.478 3.061 1.00 73.13 O ATOM 0 H GLU A 62 4.997 -25.305 8.121 1.00 13.41 H new ATOM 0 HA GLU A 62 3.460 -25.793 5.722 1.00 73.42 H new ATOM 0 HB2 GLU A 62 6.004 -26.893 6.941 1.00 35.11 H new ATOM 0 HB3 GLU A 62 5.257 -27.703 5.578 1.00 35.11 H new ATOM 0 HG2 GLU A 62 5.294 -25.333 4.450 1.00 45.01 H new ATOM 0 HG3 GLU A 62 6.465 -24.935 5.691 1.00 45.01 H new ATOM 1013 N ILE A 63 3.152 -27.785 8.278 1.00 3.54 N ATOM 1014 CA ILE A 63 2.321 -28.876 8.787 1.00 73.54 C ATOM 1015 C ILE A 63 0.833 -28.489 8.750 1.00 64.53 C ATOM 1016 O ILE A 63 -0.020 -29.307 8.405 1.00 54.45 O ATOM 1017 CB ILE A 63 2.758 -29.304 10.209 1.00 63.42 C ATOM 1018 CG1 ILE A 63 4.215 -29.806 10.159 1.00 32.13 C ATOM 1019 CG2 ILE A 63 1.823 -30.380 10.772 1.00 35.20 C ATOM 1020 CD1 ILE A 63 4.769 -30.254 11.491 1.00 72.21 C ATOM 0 H ILE A 63 3.714 -27.309 8.984 1.00 3.54 H new ATOM 0 HA ILE A 63 2.461 -29.737 8.134 1.00 73.54 H new ATOM 0 HB ILE A 63 2.698 -28.445 10.877 1.00 63.42 H new ATOM 0 HG12 ILE A 63 4.276 -30.637 9.456 1.00 32.13 H new ATOM 0 HG13 ILE A 63 4.847 -29.010 9.766 1.00 32.13 H new ATOM 0 HG21 ILE A 63 2.153 -30.662 11.772 1.00 35.20 H new ATOM 0 HG22 ILE A 63 0.807 -29.989 10.822 1.00 35.20 H new ATOM 0 HG23 ILE A 63 1.843 -31.255 10.123 1.00 35.20 H new ATOM 0 HD11 ILE A 63 5.798 -30.591 11.363 1.00 72.21 H new ATOM 0 HD12 ILE A 63 4.745 -29.421 12.194 1.00 72.21 H new ATOM 0 HD13 ILE A 63 4.165 -31.074 11.879 1.00 72.21 H new ATOM 1032 N ASN A 64 0.528 -27.229 9.071 1.00 60.01 N ATOM 1033 CA ASN A 64 -0.823 -26.690 8.853 1.00 74.23 C ATOM 1034 C ASN A 64 -1.172 -26.700 7.353 1.00 31.44 C ATOM 1035 O ASN A 64 -2.305 -26.997 6.962 1.00 13.04 O ATOM 1036 CB ASN A 64 -0.937 -25.265 9.408 1.00 35.34 C ATOM 1037 CG ASN A 64 -0.860 -25.220 10.922 1.00 61.34 C ATOM 1038 OD1 ASN A 64 -0.210 -26.046 11.552 1.00 5.42 O ATOM 1039 ND2 ASN A 64 -1.531 -24.256 11.518 1.00 13.42 N ATOM 0 H ASN A 64 1.188 -26.567 9.479 1.00 60.01 H new ATOM 0 HA ASN A 64 -1.530 -27.327 9.384 1.00 74.23 H new ATOM 0 HB2 ASN A 64 -0.140 -24.651 8.989 1.00 35.34 H new ATOM 0 HB3 ASN A 64 -1.881 -24.827 9.083 1.00 35.34 H new ATOM 0 HD21 ASN A 64 -1.520 -24.180 12.535 1.00 13.42 H new ATOM 0 HD22 ASN A 64 -2.062 -23.585 10.962 1.00 13.42 H new ATOM 1046 N LYS A 65 -0.180 -26.375 6.522 1.00 44.24 N ATOM 1047 CA LYS A 65 -0.304 -26.463 5.059 1.00 52.12 C ATOM 1048 C LYS A 65 -0.691 -27.892 4.625 1.00 4.32 C ATOM 1049 O LYS A 65 -1.460 -28.081 3.679 1.00 34.44 O ATOM 1050 CB LYS A 65 1.030 -26.043 4.421 1.00 20.51 C ATOM 1051 CG LYS A 65 1.127 -26.249 2.913 1.00 43.23 C ATOM 1052 CD LYS A 65 2.519 -25.880 2.402 1.00 55.43 C ATOM 1053 CE LYS A 65 2.672 -26.132 0.909 1.00 21.10 C ATOM 1054 NZ LYS A 65 1.743 -25.303 0.096 1.00 61.31 N ATOM 0 H LYS A 65 0.731 -26.044 6.839 1.00 44.24 H new ATOM 0 HA LYS A 65 -1.096 -25.793 4.722 1.00 52.12 H new ATOM 0 HB2 LYS A 65 1.201 -24.989 4.638 1.00 20.51 H new ATOM 0 HB3 LYS A 65 1.834 -26.602 4.900 1.00 20.51 H new ATOM 0 HG2 LYS A 65 0.909 -27.289 2.669 1.00 43.23 H new ATOM 0 HG3 LYS A 65 0.377 -25.639 2.409 1.00 43.23 H new ATOM 0 HD2 LYS A 65 2.714 -24.828 2.612 1.00 55.43 H new ATOM 0 HD3 LYS A 65 3.268 -26.458 2.944 1.00 55.43 H new ATOM 0 HE2 LYS A 65 3.699 -25.920 0.611 1.00 21.10 H new ATOM 0 HE3 LYS A 65 2.491 -27.186 0.701 1.00 21.10 H new ATOM 0 HZ1 LYS A 65 1.965 -25.421 -0.913 1.00 61.31 H new ATOM 0 HZ2 LYS A 65 0.764 -25.605 0.273 1.00 61.31 H new ATOM 0 HZ3 LYS A 65 1.850 -24.303 0.359 1.00 61.31 H new ATOM 1068 N PHE A 66 -0.147 -28.893 5.320 1.00 22.21 N ATOM 1069 CA PHE A 66 -0.522 -30.294 5.090 1.00 53.10 C ATOM 1070 C PHE A 66 -1.937 -30.583 5.627 1.00 5.42 C ATOM 1071 O PHE A 66 -2.727 -31.281 4.986 1.00 71.25 O ATOM 1072 CB PHE A 66 0.500 -31.233 5.746 1.00 22.51 C ATOM 1073 CG PHE A 66 0.185 -32.700 5.567 1.00 12.33 C ATOM 1074 CD1 PHE A 66 0.400 -33.326 4.347 1.00 43.34 C ATOM 1075 CD2 PHE A 66 -0.329 -33.451 6.617 1.00 64.25 C ATOM 1076 CE1 PHE A 66 0.108 -34.667 4.178 1.00 42.10 C ATOM 1077 CE2 PHE A 66 -0.622 -34.791 6.451 1.00 71.13 C ATOM 1078 CZ PHE A 66 -0.402 -35.399 5.231 1.00 33.33 C ATOM 0 H PHE A 66 0.555 -28.762 6.048 1.00 22.21 H new ATOM 0 HA PHE A 66 -0.525 -30.473 4.015 1.00 53.10 H new ATOM 0 HB2 PHE A 66 1.486 -31.029 5.329 1.00 22.51 H new ATOM 0 HB3 PHE A 66 0.552 -31.010 6.812 1.00 22.51 H new ATOM 0 HD1 PHE A 66 0.800 -32.759 3.520 1.00 43.34 H new ATOM 0 HD2 PHE A 66 -0.502 -32.982 7.574 1.00 64.25 H new ATOM 0 HE1 PHE A 66 0.279 -35.141 3.223 1.00 42.10 H new ATOM 0 HE2 PHE A 66 -1.023 -35.363 7.275 1.00 71.13 H new ATOM 0 HZ PHE A 66 -0.629 -36.447 5.101 1.00 33.33 H new ATOM 1088 N ILE A 67 -2.250 -30.037 6.806 1.00 40.02 N ATOM 1089 CA ILE A 67 -3.584 -30.183 7.405 1.00 55.21 C ATOM 1090 C ILE A 67 -4.687 -29.748 6.424 1.00 40.25 C ATOM 1091 O ILE A 67 -5.736 -30.388 6.333 1.00 23.35 O ATOM 1092 CB ILE A 67 -3.705 -29.367 8.722 1.00 71.23 C ATOM 1093 CG1 ILE A 67 -2.750 -29.930 9.792 1.00 31.23 C ATOM 1094 CG2 ILE A 67 -5.146 -29.364 9.237 1.00 74.41 C ATOM 1095 CD1 ILE A 67 -2.787 -29.176 11.107 1.00 31.05 C ATOM 0 H ILE A 67 -1.598 -29.489 7.367 1.00 40.02 H new ATOM 0 HA ILE A 67 -3.716 -31.240 7.635 1.00 55.21 H new ATOM 0 HB ILE A 67 -3.422 -28.336 8.509 1.00 71.23 H new ATOM 0 HG12 ILE A 67 -3.002 -30.974 9.976 1.00 31.23 H new ATOM 0 HG13 ILE A 67 -1.732 -29.911 9.402 1.00 31.23 H new ATOM 0 HG21 ILE A 67 -5.202 -28.786 10.159 1.00 74.41 H new ATOM 0 HG22 ILE A 67 -5.799 -28.916 8.488 1.00 74.41 H new ATOM 0 HG23 ILE A 67 -5.465 -30.388 9.431 1.00 74.41 H new ATOM 0 HD11 ILE A 67 -2.088 -29.632 11.808 1.00 31.05 H new ATOM 0 HD12 ILE A 67 -2.505 -28.137 10.939 1.00 31.05 H new ATOM 0 HD13 ILE A 67 -3.794 -29.216 11.521 1.00 31.05 H new