USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 48 GLN :FLIP amide:sc= -0.532 F(o=-2.9,f=0.49) USER MOD Set 1.2: A 68 SER OG : rot 177:sc= 1.02 USER MOD Single : A 14 GLN : amide:sc=-0.00674 K(o=-0.0067,f=-1.5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 20 GLN : amide:sc= -1.31! X(o=-1.3!,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -67:sc= -4.04! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= 0.459 (180deg=-0.174) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -1.77! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.347 USER MOD Single : A 49 HIS : no HD1:sc= -0.485 X(o=-0.48,f=-0.15) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -102:sc= 0.91 (180deg=-0.697) USER MOD Single : A 62 ASN : amide:sc= -0.0407 K(o=-0.041,f=-1.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -0.192 (180deg=-0.865) USER MOD Single : A 77 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.82) USER MOD Single : A 81 MET CE :methyl -127:sc= -1.68 (180deg=-3.64!) USER MOD Single : A 82 SER OG : rot 120:sc= -3.25! USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0287) USER MOD Single : A 86 MET CE :methyl -144:sc= -2.24 (180deg=-6.36!) USER MOD Single : A 88 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) USER MOD Single : A 96 THR OG1 : rot 180:sc= -3.01 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= -0.233 (180deg=-1.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 14:sc= -1.13! USER MOD Single : A 105 LYS NZ :NH3+ -137:sc= -0.228 (180deg=-1.26!) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.577 16.705 -7.388 1.00 0.00 N ATOM 176 CA VAL A 13 -7.765 18.108 -7.849 1.00 0.00 C ATOM 177 C VAL A 13 -6.574 18.528 -8.712 1.00 0.00 C ATOM 178 O VAL A 13 -5.445 18.543 -8.265 1.00 0.00 O ATOM 179 CB VAL A 13 -7.870 19.037 -6.638 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.446 20.385 -7.077 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.789 18.407 -5.589 1.00 0.00 C ATOM 0 HA VAL A 13 -8.680 18.174 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.879 19.188 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.521 21.047 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.791 20.835 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.437 20.235 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.864 19.069 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.780 18.256 -6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.379 17.447 -5.275 1.00 0.00 H new ATOM 191 N GLN A 14 -6.821 18.875 -9.944 1.00 0.00 N ATOM 192 CA GLN A 14 -5.707 19.300 -10.837 1.00 0.00 C ATOM 193 C GLN A 14 -5.821 20.801 -11.102 1.00 0.00 C ATOM 194 O GLN A 14 -6.821 21.280 -11.602 1.00 0.00 O ATOM 195 CB GLN A 14 -5.789 18.535 -12.160 1.00 0.00 C ATOM 196 CG GLN A 14 -5.474 17.058 -11.913 1.00 0.00 C ATOM 197 CD GLN A 14 -5.720 16.261 -13.196 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.222 16.791 -14.167 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.384 15.001 -13.239 1.00 0.00 N ATOM 0 H GLN A 14 -7.747 18.883 -10.372 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.751 19.085 -10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.784 18.639 -12.592 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.085 18.953 -12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.438 16.945 -11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.098 16.672 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.963 14.557 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.543 14.460 -14.089 1.00 0.00 H new ATOM 208 N VAL A 15 -4.810 21.551 -10.762 1.00 0.00 N ATOM 209 CA VAL A 15 -4.863 23.020 -10.984 1.00 0.00 C ATOM 210 C VAL A 15 -3.608 23.478 -11.731 1.00 0.00 C ATOM 211 O VAL A 15 -2.515 23.018 -11.466 1.00 0.00 O ATOM 212 CB VAL A 15 -4.933 23.722 -9.632 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.624 23.496 -8.880 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.157 25.221 -9.838 1.00 0.00 C ATOM 0 H VAL A 15 -3.948 21.207 -10.339 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.742 23.268 -11.579 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.762 23.315 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.669 23.996 -7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.471 22.427 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.796 23.903 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.206 25.718 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.332 25.636 -10.417 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.093 25.379 -10.375 1.00 0.00 H new ATOM 224 N THR A 16 -3.755 24.382 -12.660 1.00 0.00 N ATOM 225 CA THR A 16 -2.571 24.872 -13.421 1.00 0.00 C ATOM 226 C THR A 16 -2.717 26.375 -13.677 1.00 0.00 C ATOM 227 O THR A 16 -3.806 26.878 -13.866 1.00 0.00 O ATOM 228 CB THR A 16 -2.482 24.132 -14.757 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.537 24.564 -15.607 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.600 22.626 -14.518 1.00 0.00 C ATOM 0 H THR A 16 -4.645 24.803 -12.925 1.00 0.00 H new ATOM 0 HA THR A 16 -1.665 24.688 -12.844 1.00 0.00 H new ATOM 0 HB THR A 16 -1.523 24.347 -15.229 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.481 24.092 -16.464 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.536 22.100 -15.471 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.790 22.296 -13.867 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.558 22.406 -14.046 1.00 0.00 H new ATOM 238 N PHE A 17 -1.628 27.094 -13.684 1.00 0.00 N ATOM 239 CA PHE A 17 -1.707 28.562 -13.926 1.00 0.00 C ATOM 240 C PHE A 17 -0.933 28.918 -15.195 1.00 0.00 C ATOM 241 O PHE A 17 0.065 28.307 -15.517 1.00 0.00 O ATOM 242 CB PHE A 17 -1.083 29.313 -12.749 1.00 0.00 C ATOM 243 CG PHE A 17 -1.803 28.956 -11.473 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.711 27.659 -10.955 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.552 29.927 -10.803 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.375 27.334 -9.766 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.213 29.605 -9.615 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.126 28.307 -9.095 1.00 0.00 C ATOM 0 H PHE A 17 -0.688 26.729 -13.533 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.754 28.845 -14.036 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.026 29.060 -12.664 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.140 30.388 -12.921 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.129 26.910 -11.472 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.620 30.927 -11.204 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.308 26.333 -9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.791 30.357 -9.098 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.638 28.057 -8.177 1.00 0.00 H new ATOM 258 N THR A 18 -1.374 29.914 -15.912 1.00 0.00 N ATOM 259 CA THR A 18 -0.644 30.313 -17.148 1.00 0.00 C ATOM 260 C THR A 18 -0.657 31.839 -17.270 1.00 0.00 C ATOM 261 O THR A 18 -1.693 32.467 -17.204 1.00 0.00 O ATOM 262 CB THR A 18 -1.320 29.691 -18.371 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.455 28.289 -18.174 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.471 29.954 -19.615 1.00 0.00 C ATOM 0 H THR A 18 -2.204 30.467 -15.697 1.00 0.00 H new ATOM 0 HA THR A 18 0.386 29.960 -17.094 1.00 0.00 H new ATOM 0 HB THR A 18 -2.306 30.136 -18.507 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.889 27.889 -18.956 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.954 29.510 -20.486 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.369 31.029 -19.765 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.516 29.511 -19.482 1.00 0.00 H new ATOM 272 N VAL A 19 0.487 32.442 -17.449 1.00 0.00 N ATOM 273 CA VAL A 19 0.532 33.928 -17.573 1.00 0.00 C ATOM 274 C VAL A 19 0.050 34.335 -18.966 1.00 0.00 C ATOM 275 O VAL A 19 0.423 33.741 -19.957 1.00 0.00 O ATOM 276 CB VAL A 19 1.969 34.418 -17.376 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.980 35.948 -17.311 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.529 33.848 -16.072 1.00 0.00 C ATOM 0 H VAL A 19 1.390 31.972 -17.515 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.112 34.373 -16.814 1.00 0.00 H new ATOM 0 HB VAL A 19 2.585 34.084 -18.211 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.002 36.299 -17.171 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.581 36.355 -18.240 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.364 36.281 -16.476 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.552 34.197 -15.932 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.914 34.181 -15.236 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.520 32.759 -16.118 1.00 0.00 H new ATOM 288 N GLN A 20 -0.777 35.340 -19.054 1.00 0.00 N ATOM 289 CA GLN A 20 -1.276 35.772 -20.390 1.00 0.00 C ATOM 290 C GLN A 20 -0.509 37.015 -20.845 1.00 0.00 C ATOM 291 O GLN A 20 0.425 37.454 -20.202 1.00 0.00 O ATOM 292 CB GLN A 20 -2.767 36.095 -20.297 1.00 0.00 C ATOM 293 CG GLN A 20 -3.491 34.960 -19.570 1.00 0.00 C ATOM 294 CD GLN A 20 -3.381 33.675 -20.394 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.832 33.622 -21.522 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.797 32.630 -19.876 1.00 0.00 N ATOM 0 H GLN A 20 -1.128 35.879 -18.262 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.124 34.969 -21.112 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.914 37.034 -19.764 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.184 36.226 -21.295 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.055 34.810 -18.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.539 35.220 -19.420 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.419 32.674 -18.930 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.719 31.769 -20.417 1.00 0.00 H new ATOM 305 N LYS A 21 -0.897 37.583 -21.953 1.00 0.00 N ATOM 306 CA LYS A 21 -0.197 38.795 -22.466 1.00 0.00 C ATOM 307 C LYS A 21 -0.714 40.043 -21.744 1.00 0.00 C ATOM 308 O LYS A 21 -1.356 40.886 -22.340 1.00 0.00 O ATOM 309 CB LYS A 21 -0.477 38.935 -23.963 1.00 0.00 C ATOM 310 CG LYS A 21 -0.175 37.609 -24.664 1.00 0.00 C ATOM 311 CD LYS A 21 0.472 37.886 -26.021 1.00 0.00 C ATOM 312 CE LYS A 21 1.033 36.582 -26.593 1.00 0.00 C ATOM 313 NZ LYS A 21 1.579 36.832 -27.957 1.00 0.00 N ATOM 0 H LYS A 21 -1.674 37.258 -22.529 1.00 0.00 H new ATOM 0 HA LYS A 21 0.874 38.694 -22.289 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.518 39.215 -24.125 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.137 39.730 -24.386 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.490 37.003 -24.049 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.094 37.038 -24.797 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.262 38.310 -26.706 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.269 38.621 -25.913 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.816 36.194 -25.942 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.250 35.825 -26.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.960 35.946 -28.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.820 37.184 -28.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.338 37.541 -27.903 1.00 0.00 H new ATOM 327 N GLY A 22 -0.449 40.179 -20.473 1.00 0.00 N ATOM 328 CA GLY A 22 -0.944 41.387 -19.752 1.00 0.00 C ATOM 329 C GLY A 22 -0.421 41.412 -18.311 1.00 0.00 C ATOM 330 O GLY A 22 -1.000 42.048 -17.451 1.00 0.00 O ATOM 0 H GLY A 22 0.082 39.516 -19.908 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.622 42.287 -20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.034 41.393 -19.748 1.00 0.00 H new ATOM 334 N SER A 23 0.664 40.742 -18.030 1.00 0.00 N ATOM 335 CA SER A 23 1.193 40.760 -16.638 1.00 0.00 C ATOM 336 C SER A 23 1.872 42.108 -16.377 1.00 0.00 C ATOM 337 O SER A 23 2.509 42.668 -17.248 1.00 0.00 O ATOM 338 CB SER A 23 2.206 39.629 -16.455 1.00 0.00 C ATOM 339 OG SER A 23 1.576 38.384 -16.714 1.00 0.00 O ATOM 0 H SER A 23 1.202 40.189 -18.697 1.00 0.00 H new ATOM 0 HA SER A 23 0.373 40.620 -15.934 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.050 39.769 -17.130 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.604 39.643 -15.440 1.00 0.00 H new ATOM 0 HG SER A 23 0.905 38.206 -16.022 1.00 0.00 H new ATOM 345 N ASP A 24 1.737 42.639 -15.193 1.00 0.00 N ATOM 346 CA ASP A 24 2.371 43.956 -14.892 1.00 0.00 C ATOM 347 C ASP A 24 3.042 43.908 -13.516 1.00 0.00 C ATOM 348 O ASP A 24 2.893 42.957 -12.776 1.00 0.00 O ATOM 349 CB ASP A 24 1.301 45.052 -14.903 1.00 0.00 C ATOM 350 CG ASP A 24 0.102 44.595 -15.738 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.502 43.599 -15.377 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.189 45.248 -16.727 1.00 0.00 O ATOM 0 H ASP A 24 1.217 42.220 -14.422 1.00 0.00 H new ATOM 0 HA ASP A 24 3.124 44.174 -15.649 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.983 45.274 -13.884 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.714 45.973 -15.316 1.00 0.00 H new ATOM 357 N PRO A 25 3.798 44.964 -13.174 1.00 0.00 N ATOM 358 CA PRO A 25 4.505 45.056 -11.889 1.00 0.00 C ATOM 359 C PRO A 25 3.540 45.267 -10.717 1.00 0.00 C ATOM 360 O PRO A 25 3.787 44.828 -9.611 1.00 0.00 O ATOM 361 CB PRO A 25 5.394 46.287 -12.056 1.00 0.00 C ATOM 362 CG PRO A 25 4.702 47.115 -13.086 1.00 0.00 C ATOM 363 CD PRO A 25 4.024 46.151 -14.017 1.00 0.00 C ATOM 0 HA PRO A 25 5.054 44.142 -11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.500 46.830 -11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.398 46.010 -12.379 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.976 47.784 -12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.414 47.740 -13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.087 46.555 -14.402 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.649 45.918 -14.879 1.00 0.00 H new ATOM 371 N LYS A 26 2.441 45.929 -10.952 1.00 0.00 N ATOM 372 CA LYS A 26 1.459 46.161 -9.854 1.00 0.00 C ATOM 373 C LYS A 26 0.156 45.434 -10.190 1.00 0.00 C ATOM 374 O LYS A 26 -0.840 45.568 -9.508 1.00 0.00 O ATOM 375 CB LYS A 26 1.192 47.660 -9.712 1.00 0.00 C ATOM 376 CG LYS A 26 2.515 48.396 -9.487 1.00 0.00 C ATOM 377 CD LYS A 26 2.236 49.872 -9.199 1.00 0.00 C ATOM 378 CE LYS A 26 1.421 50.470 -10.347 1.00 0.00 C ATOM 379 NZ LYS A 26 1.246 51.933 -10.122 1.00 0.00 N ATOM 0 H LYS A 26 2.180 46.320 -11.857 1.00 0.00 H new ATOM 0 HA LYS A 26 1.860 45.781 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.701 48.039 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.516 47.842 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.055 47.948 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.151 48.300 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.691 49.974 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.174 50.415 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.927 50.295 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.448 49.982 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.692 52.340 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.746 52.089 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.178 52.392 -10.083 1.00 0.00 H new ATOM 393 N LYS A 27 0.164 44.662 -11.241 1.00 0.00 N ATOM 394 CA LYS A 27 -1.060 43.914 -11.638 1.00 0.00 C ATOM 395 C LYS A 27 -0.647 42.544 -12.172 1.00 0.00 C ATOM 396 O LYS A 27 0.269 42.431 -12.964 1.00 0.00 O ATOM 397 CB LYS A 27 -1.796 44.688 -12.733 1.00 0.00 C ATOM 398 CG LYS A 27 -2.871 43.795 -13.356 1.00 0.00 C ATOM 399 CD LYS A 27 -3.956 44.668 -13.989 1.00 0.00 C ATOM 400 CE LYS A 27 -3.666 44.837 -15.482 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.863 46.075 -15.695 1.00 0.00 N ATOM 0 H LYS A 27 0.972 44.517 -11.846 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.719 43.794 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.252 45.586 -12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.092 45.015 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.427 43.145 -14.110 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.308 43.148 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.935 44.210 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.985 45.642 -13.501 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.124 43.970 -15.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.600 44.896 -16.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.443 46.785 -16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.557 46.453 -14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.028 45.852 -16.273 1.00 0.00 H new ATOM 415 N LEU A 28 -1.303 41.498 -11.752 1.00 0.00 N ATOM 416 CA LEU A 28 -0.922 40.148 -12.249 1.00 0.00 C ATOM 417 C LEU A 28 -2.134 39.489 -12.909 1.00 0.00 C ATOM 418 O LEU A 28 -3.182 39.331 -12.315 1.00 0.00 O ATOM 419 CB LEU A 28 -0.423 39.289 -11.081 1.00 0.00 C ATOM 420 CG LEU A 28 0.507 38.174 -11.581 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.091 37.728 -12.983 1.00 0.00 C ATOM 422 CD2 LEU A 28 1.947 38.685 -11.614 1.00 0.00 C ATOM 0 H LEU A 28 -2.080 41.519 -11.092 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.122 40.241 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.107 39.916 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.273 38.852 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 28 0.436 37.324 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.758 36.937 -13.326 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.932 37.354 -12.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.150 38.575 -13.667 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.606 37.893 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.014 39.541 -12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.249 38.986 -10.611 1.00 0.00 H new ATOM 434 N VAL A 29 -1.975 39.091 -14.142 1.00 0.00 N ATOM 435 CA VAL A 29 -3.081 38.423 -14.877 1.00 0.00 C ATOM 436 C VAL A 29 -2.606 37.031 -15.284 1.00 0.00 C ATOM 437 O VAL A 29 -1.582 36.881 -15.921 1.00 0.00 O ATOM 438 CB VAL A 29 -3.428 39.230 -16.129 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.748 38.726 -16.713 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.565 40.709 -15.758 1.00 0.00 C ATOM 0 H VAL A 29 -1.113 39.203 -14.676 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.967 38.354 -14.245 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.637 39.111 -16.869 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.995 39.302 -17.605 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.651 37.673 -16.976 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.541 38.844 -15.975 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.812 41.286 -16.649 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.357 40.827 -15.018 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.624 41.069 -15.342 1.00 0.00 H new ATOM 450 N LEU A 30 -3.324 36.010 -14.919 1.00 0.00 N ATOM 451 CA LEU A 30 -2.884 34.636 -15.286 1.00 0.00 C ATOM 452 C LEU A 30 -4.096 33.754 -15.568 1.00 0.00 C ATOM 453 O LEU A 30 -5.125 33.869 -14.931 1.00 0.00 O ATOM 454 CB LEU A 30 -2.099 34.020 -14.124 1.00 0.00 C ATOM 455 CG LEU A 30 -0.914 34.914 -13.753 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.981 35.250 -12.262 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.391 34.175 -14.050 1.00 0.00 C ATOM 0 H LEU A 30 -4.192 36.064 -14.386 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.257 34.698 -16.176 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.753 33.894 -13.261 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.742 33.028 -14.402 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.952 35.834 -14.336 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.138 35.887 -11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.913 35.773 -12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.940 34.330 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.237 34.810 -13.786 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.430 33.257 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.437 33.931 -15.111 1.00 0.00 H new ATOM 469 N ASP A 31 -3.969 32.843 -16.491 1.00 0.00 N ATOM 470 CA ASP A 31 -5.096 31.921 -16.777 1.00 0.00 C ATOM 471 C ASP A 31 -5.009 30.784 -15.764 1.00 0.00 C ATOM 472 O ASP A 31 -3.943 30.264 -15.500 1.00 0.00 O ATOM 473 CB ASP A 31 -4.970 31.366 -18.198 1.00 0.00 C ATOM 474 CG ASP A 31 -6.223 30.559 -18.543 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.143 30.558 -17.742 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.240 29.954 -19.603 1.00 0.00 O ATOM 0 H ASP A 31 -3.133 32.699 -17.058 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.052 32.439 -16.701 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.843 32.182 -18.909 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.085 30.735 -18.276 1.00 0.00 H new ATOM 481 N ILE A 32 -6.101 30.402 -15.172 1.00 0.00 N ATOM 482 CA ILE A 32 -6.027 29.314 -14.163 1.00 0.00 C ATOM 483 C ILE A 32 -6.928 28.150 -14.558 1.00 0.00 C ATOM 484 O ILE A 32 -8.091 28.319 -14.868 1.00 0.00 O ATOM 485 CB ILE A 32 -6.465 29.850 -12.802 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.409 30.820 -12.272 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.629 28.681 -11.827 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.953 31.541 -11.037 1.00 0.00 C ATOM 0 H ILE A 32 -7.030 30.789 -15.339 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.998 28.959 -14.111 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.415 30.374 -12.903 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.497 30.279 -12.018 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.146 31.544 -13.043 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.942 29.060 -10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.383 27.993 -12.208 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.679 28.157 -11.724 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.200 32.233 -10.659 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.853 32.095 -11.306 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.194 30.810 -10.266 1.00 0.00 H new ATOM 500 N LYS A 33 -6.400 26.961 -14.506 1.00 0.00 N ATOM 501 CA LYS A 33 -7.219 25.765 -14.833 1.00 0.00 C ATOM 502 C LYS A 33 -7.440 24.988 -13.537 1.00 0.00 C ATOM 503 O LYS A 33 -6.507 24.557 -12.894 1.00 0.00 O ATOM 504 CB LYS A 33 -6.489 24.889 -15.853 1.00 0.00 C ATOM 505 CG LYS A 33 -6.044 25.747 -17.040 1.00 0.00 C ATOM 506 CD LYS A 33 -7.269 26.164 -17.857 1.00 0.00 C ATOM 507 CE LYS A 33 -6.813 26.888 -19.125 1.00 0.00 C ATOM 508 NZ LYS A 33 -6.536 25.888 -20.195 1.00 0.00 N ATOM 0 H LYS A 33 -5.432 26.766 -14.250 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.173 26.064 -15.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.624 24.416 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.145 24.088 -16.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.513 26.630 -16.685 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.349 25.188 -17.666 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.861 25.287 -18.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.911 26.816 -17.264 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.583 27.586 -19.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.917 27.475 -18.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.226 26.379 -21.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.788 25.239 -19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.401 25.347 -20.397 1.00 0.00 H new ATOM 522 N TYR A 34 -8.670 24.827 -13.140 1.00 0.00 N ATOM 523 CA TYR A 34 -8.953 24.099 -11.873 1.00 0.00 C ATOM 524 C TYR A 34 -9.828 22.881 -12.167 1.00 0.00 C ATOM 525 O TYR A 34 -10.887 22.992 -12.753 1.00 0.00 O ATOM 526 CB TYR A 34 -9.672 25.044 -10.911 1.00 0.00 C ATOM 527 CG TYR A 34 -9.905 24.350 -9.590 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.872 24.278 -8.647 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.152 23.783 -9.306 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.087 23.639 -7.421 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.367 23.143 -8.079 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.334 23.071 -7.137 1.00 0.00 C ATOM 533 OH TYR A 34 -10.546 22.441 -5.927 1.00 0.00 O ATOM 0 H TYR A 34 -9.492 25.168 -13.638 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.021 23.760 -11.421 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.077 25.945 -10.759 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.623 25.359 -11.339 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.909 24.716 -8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.949 23.839 -10.033 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.290 23.584 -6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.330 22.705 -7.860 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.369 22.783 -5.520 1.00 0.00 H new ATOM 543 N THR A 35 -9.390 21.715 -11.772 1.00 0.00 N ATOM 544 CA THR A 35 -10.198 20.491 -12.041 1.00 0.00 C ATOM 545 C THR A 35 -10.384 19.696 -10.746 1.00 0.00 C ATOM 546 O THR A 35 -9.433 19.240 -10.142 1.00 0.00 O ATOM 547 CB THR A 35 -9.473 19.622 -13.072 1.00 0.00 C ATOM 548 OG1 THR A 35 -8.966 20.448 -14.111 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.448 18.600 -13.662 1.00 0.00 C ATOM 0 H THR A 35 -8.512 21.558 -11.277 1.00 0.00 H new ATOM 0 HA THR A 35 -11.175 20.782 -12.427 1.00 0.00 H new ATOM 0 HB THR A 35 -8.650 19.096 -12.588 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.500 19.894 -14.771 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.929 17.983 -14.395 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.837 17.966 -12.865 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.273 19.122 -14.146 1.00 0.00 H new ATOM 557 N ARG A 36 -11.605 19.520 -10.317 1.00 0.00 N ATOM 558 CA ARG A 36 -11.856 18.749 -9.065 1.00 0.00 C ATOM 559 C ARG A 36 -12.900 17.665 -9.340 1.00 0.00 C ATOM 560 O ARG A 36 -13.561 17.672 -10.360 1.00 0.00 O ATOM 561 CB ARG A 36 -12.374 19.694 -7.978 1.00 0.00 C ATOM 562 CG ARG A 36 -11.400 19.697 -6.797 1.00 0.00 C ATOM 563 CD ARG A 36 -12.188 19.710 -5.485 1.00 0.00 C ATOM 564 NE ARG A 36 -11.854 18.493 -4.691 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.705 18.030 -3.818 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.974 17.966 -4.115 1.00 0.00 N ATOM 567 NH2 ARG A 36 -12.289 17.628 -2.648 1.00 0.00 N ATOM 0 H ARG A 36 -12.441 19.877 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.928 18.286 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.480 20.702 -8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.363 19.377 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.758 18.817 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.749 20.570 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.948 20.607 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.258 19.740 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.960 18.023 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.300 18.278 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.640 17.604 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.297 17.676 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.956 17.266 -1.966 1.00 0.00 H new ATOM 581 N PRO A 37 -13.049 16.712 -8.406 1.00 0.00 N ATOM 582 CA PRO A 37 -14.011 15.611 -8.542 1.00 0.00 C ATOM 583 C PRO A 37 -15.458 16.097 -8.406 1.00 0.00 C ATOM 584 O PRO A 37 -16.075 15.951 -7.369 1.00 0.00 O ATOM 585 CB PRO A 37 -13.662 14.683 -7.380 1.00 0.00 C ATOM 586 CG PRO A 37 -13.016 15.571 -6.371 1.00 0.00 C ATOM 587 CD PRO A 37 -12.288 16.633 -7.147 1.00 0.00 C ATOM 0 HA PRO A 37 -13.948 15.134 -9.520 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.553 14.204 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.988 13.887 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.761 16.014 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.327 15.008 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.284 17.586 -6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.247 16.361 -7.322 1.00 0.00 H new ATOM 595 N GLY A 38 -16.003 16.672 -9.442 1.00 0.00 N ATOM 596 CA GLY A 38 -17.408 17.164 -9.370 1.00 0.00 C ATOM 597 C GLY A 38 -17.425 18.580 -8.792 1.00 0.00 C ATOM 598 O GLY A 38 -18.438 19.252 -8.800 1.00 0.00 O ATOM 0 H GLY A 38 -15.536 16.823 -10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.857 17.160 -10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.006 16.499 -8.747 1.00 0.00 H new ATOM 602 N ASP A 39 -16.312 19.041 -8.291 1.00 0.00 N ATOM 603 CA ASP A 39 -16.265 20.414 -7.714 1.00 0.00 C ATOM 604 C ASP A 39 -15.724 21.387 -8.761 1.00 0.00 C ATOM 605 O ASP A 39 -15.390 21.003 -9.865 1.00 0.00 O ATOM 606 CB ASP A 39 -15.346 20.421 -6.491 1.00 0.00 C ATOM 607 CG ASP A 39 -16.079 21.042 -5.301 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.285 21.200 -5.390 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.420 21.349 -4.320 1.00 0.00 O ATOM 0 H ASP A 39 -15.432 18.526 -8.256 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.269 20.719 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.037 19.404 -6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.440 20.986 -6.708 1.00 0.00 H new ATOM 614 N SER A 40 -15.634 22.647 -8.428 1.00 0.00 N ATOM 615 CA SER A 40 -15.112 23.636 -9.410 1.00 0.00 C ATOM 616 C SER A 40 -14.480 24.816 -8.668 1.00 0.00 C ATOM 617 O SER A 40 -14.741 25.044 -7.503 1.00 0.00 O ATOM 618 CB SER A 40 -16.259 24.140 -10.286 1.00 0.00 C ATOM 619 OG SER A 40 -16.995 23.034 -10.786 1.00 0.00 O ATOM 0 H SER A 40 -15.899 23.031 -7.521 1.00 0.00 H new ATOM 0 HA SER A 40 -14.358 23.158 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.912 24.793 -9.708 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.866 24.732 -11.112 1.00 0.00 H new ATOM 0 HG SER A 40 -17.731 23.357 -11.346 1.00 0.00 H new ATOM 625 N LEU A 41 -13.649 25.566 -9.338 1.00 0.00 N ATOM 626 CA LEU A 41 -12.991 26.732 -8.682 1.00 0.00 C ATOM 627 C LEU A 41 -14.032 27.825 -8.420 1.00 0.00 C ATOM 628 O LEU A 41 -14.788 28.196 -9.297 1.00 0.00 O ATOM 629 CB LEU A 41 -11.900 27.273 -9.608 1.00 0.00 C ATOM 630 CG LEU A 41 -11.384 28.608 -9.074 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.946 28.443 -7.618 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.192 29.060 -9.920 1.00 0.00 C ATOM 0 H LEU A 41 -13.396 25.421 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.549 26.423 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.081 26.557 -9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.296 27.402 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.176 29.355 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.578 29.396 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.795 28.117 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.152 27.698 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.819 30.013 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.401 28.312 -9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.506 29.177 -10.957 1.00 0.00 H new ATOM 644 N ALA A 42 -14.084 28.337 -7.220 1.00 0.00 N ATOM 645 CA ALA A 42 -15.084 29.398 -6.906 1.00 0.00 C ATOM 646 C ALA A 42 -14.372 30.701 -6.543 1.00 0.00 C ATOM 647 O ALA A 42 -14.738 31.765 -7.000 1.00 0.00 O ATOM 648 CB ALA A 42 -15.937 28.951 -5.719 1.00 0.00 C ATOM 0 H ALA A 42 -13.479 28.067 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.713 29.563 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.670 29.724 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.454 28.025 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.297 28.785 -4.853 1.00 0.00 H new ATOM 654 N GLU A 43 -13.365 30.633 -5.715 1.00 0.00 N ATOM 655 CA GLU A 43 -12.648 31.882 -5.323 1.00 0.00 C ATOM 656 C GLU A 43 -11.135 31.668 -5.385 1.00 0.00 C ATOM 657 O GLU A 43 -10.630 30.605 -5.082 1.00 0.00 O ATOM 658 CB GLU A 43 -13.042 32.272 -3.897 1.00 0.00 C ATOM 659 CG GLU A 43 -14.439 32.896 -3.904 1.00 0.00 C ATOM 660 CD GLU A 43 -14.614 33.761 -2.654 1.00 0.00 C ATOM 661 OE1 GLU A 43 -13.686 33.821 -1.865 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.673 34.348 -2.507 1.00 0.00 O ATOM 0 H GLU A 43 -13.009 29.774 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.925 32.677 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.028 31.394 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.319 32.978 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.575 33.501 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.199 32.115 -3.929 1.00 0.00 H new ATOM 669 N VAL A 44 -10.410 32.681 -5.773 1.00 0.00 N ATOM 670 CA VAL A 44 -8.928 32.561 -5.858 1.00 0.00 C ATOM 671 C VAL A 44 -8.287 33.835 -5.304 1.00 0.00 C ATOM 672 O VAL A 44 -8.707 34.932 -5.613 1.00 0.00 O ATOM 673 CB VAL A 44 -8.522 32.392 -7.321 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.998 32.315 -7.422 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.136 31.104 -7.870 1.00 0.00 C ATOM 0 H VAL A 44 -10.784 33.593 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.595 31.699 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.880 33.243 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.708 32.194 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.560 33.232 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.638 31.464 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.848 30.980 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.776 30.254 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.222 31.159 -7.797 1.00 0.00 H new ATOM 685 N GLU A 45 -7.268 33.708 -4.497 1.00 0.00 N ATOM 686 CA GLU A 45 -6.614 34.931 -3.949 1.00 0.00 C ATOM 687 C GLU A 45 -5.104 34.848 -4.183 1.00 0.00 C ATOM 688 O GLU A 45 -4.532 33.780 -4.252 1.00 0.00 O ATOM 689 CB GLU A 45 -6.904 35.053 -2.454 1.00 0.00 C ATOM 690 CG GLU A 45 -8.396 34.822 -2.202 1.00 0.00 C ATOM 691 CD GLU A 45 -8.776 35.387 -0.832 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.902 35.474 0.014 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.936 35.720 -0.653 1.00 0.00 O ATOM 0 H GLU A 45 -6.864 32.821 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.011 35.810 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.314 34.325 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.613 36.040 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.986 35.303 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.622 33.756 -2.243 1.00 0.00 H new ATOM 700 N LEU A 46 -4.460 35.976 -4.320 1.00 0.00 N ATOM 701 CA LEU A 46 -2.991 35.974 -4.567 1.00 0.00 C ATOM 702 C LEU A 46 -2.271 36.711 -3.435 1.00 0.00 C ATOM 703 O LEU A 46 -2.646 37.802 -3.054 1.00 0.00 O ATOM 704 CB LEU A 46 -2.707 36.690 -5.889 1.00 0.00 C ATOM 705 CG LEU A 46 -1.267 36.417 -6.327 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.055 36.957 -7.743 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.299 37.111 -5.367 1.00 0.00 C ATOM 0 H LEU A 46 -4.890 36.900 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.634 34.945 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.401 36.346 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.865 37.762 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.082 35.343 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.029 36.763 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.743 36.462 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.241 38.031 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.727 36.916 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.483 38.185 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.450 36.727 -4.358 1.00 0.00 H new ATOM 719 N ARG A 47 -1.228 36.132 -2.907 1.00 0.00 N ATOM 720 CA ARG A 47 -0.473 36.808 -1.815 1.00 0.00 C ATOM 721 C ARG A 47 0.961 37.055 -2.288 1.00 0.00 C ATOM 722 O ARG A 47 1.632 36.160 -2.765 1.00 0.00 O ATOM 723 CB ARG A 47 -0.462 35.928 -0.564 1.00 0.00 C ATOM 724 CG ARG A 47 0.562 36.472 0.433 1.00 0.00 C ATOM 725 CD ARG A 47 0.299 35.874 1.816 1.00 0.00 C ATOM 726 NE ARG A 47 0.902 34.513 1.891 1.00 0.00 N ATOM 727 CZ ARG A 47 0.860 33.841 3.009 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.006 34.173 3.939 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.673 32.838 3.198 1.00 0.00 N ATOM 0 H ARG A 47 -0.866 35.220 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.951 37.756 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.453 35.910 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.215 34.901 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.571 36.224 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.499 37.559 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.724 36.515 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.774 35.819 2.002 1.00 0.00 H new ATOM 0 HE ARG A 47 1.348 34.107 1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.629 34.958 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.027 33.648 4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.341 32.579 2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.640 32.313 4.072 1.00 0.00 H new ATOM 743 N GLN A 48 1.431 38.267 -2.174 1.00 0.00 N ATOM 744 CA GLN A 48 2.814 38.581 -2.630 1.00 0.00 C ATOM 745 C GLN A 48 3.836 37.992 -1.659 1.00 0.00 C ATOM 746 O GLN A 48 3.574 37.830 -0.483 1.00 0.00 O ATOM 747 CB GLN A 48 2.998 40.098 -2.683 1.00 0.00 C ATOM 748 CG GLN A 48 1.773 40.738 -3.340 1.00 0.00 C ATOM 749 CD GLN A 48 2.060 42.214 -3.625 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.417 42.818 -4.586 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 2.880 42.824 -2.967 1.00 0.00 N flip ATOM 0 H GLN A 48 0.915 39.055 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 48 2.966 38.149 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.133 40.494 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.897 40.346 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.531 40.218 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.906 40.645 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.383 42.353 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.065 43.807 -3.166 1.00 0.00 H new ATOM 760 N HIS A 49 5.007 37.681 -2.144 1.00 0.00 N ATOM 761 CA HIS A 49 6.056 37.116 -1.254 1.00 0.00 C ATOM 762 C HIS A 49 6.420 38.151 -0.188 1.00 0.00 C ATOM 763 O HIS A 49 6.381 39.342 -0.426 1.00 0.00 O ATOM 764 CB HIS A 49 7.302 36.778 -2.075 1.00 0.00 C ATOM 765 CG HIS A 49 8.334 36.147 -1.182 1.00 0.00 C ATOM 766 ND1 HIS A 49 9.444 36.842 -0.729 1.00 0.00 N ATOM 767 CD2 HIS A 49 8.437 34.886 -0.649 1.00 0.00 C ATOM 768 CE1 HIS A 49 10.161 36.003 0.042 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.592 34.797 0.123 1.00 0.00 N ATOM 0 H HIS A 49 5.281 37.795 -3.120 1.00 0.00 H new ATOM 0 HA HIS A 49 5.680 36.210 -0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.043 36.098 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.705 37.681 -2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.730 34.085 -0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.084 36.272 0.535 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.931 33.985 0.640 1.00 0.00 H new ATOM 777 N GLY A 50 6.770 37.706 0.987 1.00 0.00 N ATOM 778 CA GLY A 50 7.134 38.665 2.067 1.00 0.00 C ATOM 779 C GLY A 50 5.870 39.360 2.583 1.00 0.00 C ATOM 780 O GLY A 50 5.928 40.198 3.461 1.00 0.00 O ATOM 0 H GLY A 50 6.820 36.721 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.631 38.139 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.839 39.405 1.688 1.00 0.00 H new ATOM 784 N SER A 51 4.729 39.016 2.049 1.00 0.00 N ATOM 785 CA SER A 51 3.467 39.654 2.517 1.00 0.00 C ATOM 786 C SER A 51 2.609 38.611 3.236 1.00 0.00 C ATOM 787 O SER A 51 2.665 37.435 2.935 1.00 0.00 O ATOM 788 CB SER A 51 2.699 40.210 1.315 1.00 0.00 C ATOM 789 OG SER A 51 1.575 40.949 1.772 1.00 0.00 O ATOM 0 H SER A 51 4.617 38.322 1.310 1.00 0.00 H new ATOM 0 HA SER A 51 3.702 40.468 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.350 40.849 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.373 39.395 0.669 1.00 0.00 H new ATOM 0 HG SER A 51 1.084 41.307 1.003 1.00 0.00 H new ATOM 795 N GLU A 52 1.818 39.029 4.185 1.00 0.00 N ATOM 796 CA GLU A 52 0.961 38.056 4.921 1.00 0.00 C ATOM 797 C GLU A 52 -0.512 38.380 4.669 1.00 0.00 C ATOM 798 O GLU A 52 -1.395 37.816 5.284 1.00 0.00 O ATOM 799 CB GLU A 52 1.257 38.152 6.419 1.00 0.00 C ATOM 800 CG GLU A 52 2.690 37.688 6.685 1.00 0.00 C ATOM 801 CD GLU A 52 2.948 37.658 8.192 1.00 0.00 C ATOM 802 OE1 GLU A 52 2.083 38.103 8.930 1.00 0.00 O ATOM 803 OE2 GLU A 52 4.005 37.191 8.584 1.00 0.00 O ATOM 0 H GLU A 52 1.728 40.000 4.483 1.00 0.00 H new ATOM 0 HA GLU A 52 1.174 37.046 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.126 39.178 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.554 37.536 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.847 36.697 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.397 38.360 6.198 1.00 0.00 H new ATOM 810 N GLU A 53 -0.785 39.283 3.768 1.00 0.00 N ATOM 811 CA GLU A 53 -2.202 39.639 3.477 1.00 0.00 C ATOM 812 C GLU A 53 -2.603 39.059 2.121 1.00 0.00 C ATOM 813 O GLU A 53 -2.073 39.431 1.093 1.00 0.00 O ATOM 814 CB GLU A 53 -2.349 41.161 3.447 1.00 0.00 C ATOM 815 CG GLU A 53 -2.267 41.709 4.874 1.00 0.00 C ATOM 816 CD GLU A 53 -3.258 40.958 5.766 1.00 0.00 C ATOM 817 OE1 GLU A 53 -4.308 40.586 5.269 1.00 0.00 O ATOM 818 OE2 GLU A 53 -2.949 40.768 6.931 1.00 0.00 O ATOM 0 H GLU A 53 -0.089 39.789 3.221 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.848 39.228 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.564 41.601 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.302 41.436 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.254 41.595 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.492 42.775 4.879 1.00 0.00 H new ATOM 825 N TRP A 54 -3.533 38.145 2.112 1.00 0.00 N ATOM 826 CA TRP A 54 -3.968 37.535 0.824 1.00 0.00 C ATOM 827 C TRP A 54 -4.866 38.515 0.066 1.00 0.00 C ATOM 828 O TRP A 54 -5.820 39.041 0.603 1.00 0.00 O ATOM 829 CB TRP A 54 -4.746 36.249 1.110 1.00 0.00 C ATOM 830 CG TRP A 54 -3.783 35.133 1.361 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.253 34.822 2.566 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.228 34.180 0.410 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.408 33.737 2.414 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.359 33.306 1.104 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.392 33.993 -0.975 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.677 32.280 0.447 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.708 32.962 -1.638 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.852 32.108 -0.928 1.00 0.00 C ATOM 0 H TRP A 54 -4.011 37.794 2.942 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.092 37.307 0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.394 36.387 1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.391 36.005 0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.456 35.336 3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.885 33.308 3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.048 34.646 -1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.019 31.624 0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.842 32.826 -2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.328 31.317 -1.444 1.00 0.00 H new ATOM 849 N GLU A 55 -4.566 38.760 -1.180 1.00 0.00 N ATOM 850 CA GLU A 55 -5.400 39.703 -1.977 1.00 0.00 C ATOM 851 C GLU A 55 -6.363 38.903 -2.856 1.00 0.00 C ATOM 852 O GLU A 55 -5.979 37.951 -3.506 1.00 0.00 O ATOM 853 CB GLU A 55 -4.496 40.564 -2.861 1.00 0.00 C ATOM 854 CG GLU A 55 -5.137 41.940 -3.057 1.00 0.00 C ATOM 855 CD GLU A 55 -4.200 42.828 -3.878 1.00 0.00 C ATOM 856 OE1 GLU A 55 -4.191 42.684 -5.090 1.00 0.00 O ATOM 857 OE2 GLU A 55 -3.510 43.638 -3.283 1.00 0.00 O ATOM 0 H GLU A 55 -3.779 38.348 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.967 40.348 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.514 40.671 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.345 40.080 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.096 41.837 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.337 42.401 -2.090 1.00 0.00 H new ATOM 864 N PRO A 56 -7.644 39.299 -2.870 1.00 0.00 N ATOM 865 CA PRO A 56 -8.675 38.620 -3.664 1.00 0.00 C ATOM 866 C PRO A 56 -8.475 38.843 -5.166 1.00 0.00 C ATOM 867 O PRO A 56 -7.980 39.870 -5.588 1.00 0.00 O ATOM 868 CB PRO A 56 -9.974 39.283 -3.205 1.00 0.00 C ATOM 869 CG PRO A 56 -9.555 40.624 -2.705 1.00 0.00 C ATOM 870 CD PRO A 56 -8.186 40.442 -2.114 1.00 0.00 C ATOM 0 HA PRO A 56 -8.658 37.540 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.686 39.371 -4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.460 38.702 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.535 41.353 -3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.255 40.997 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.572 41.334 -2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.233 40.232 -1.045 1.00 0.00 H new ATOM 878 N LEU A 57 -8.856 37.894 -5.976 1.00 0.00 N ATOM 879 CA LEU A 57 -8.686 38.060 -7.447 1.00 0.00 C ATOM 880 C LEU A 57 -10.060 38.183 -8.105 1.00 0.00 C ATOM 881 O LEU A 57 -11.060 37.765 -7.554 1.00 0.00 O ATOM 882 CB LEU A 57 -7.957 36.842 -8.015 1.00 0.00 C ATOM 883 CG LEU A 57 -6.448 37.040 -7.868 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.022 36.682 -6.443 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.715 36.137 -8.863 1.00 0.00 C ATOM 0 H LEU A 57 -9.277 37.012 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.103 38.959 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.269 35.940 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.217 36.706 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.197 38.081 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.946 36.823 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.543 37.326 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.273 35.641 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.639 36.278 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.966 35.095 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.017 36.394 -9.878 1.00 0.00 H new ATOM 897 N THR A 58 -10.127 38.747 -9.281 1.00 0.00 N ATOM 898 CA THR A 58 -11.447 38.881 -9.956 1.00 0.00 C ATOM 899 C THR A 58 -11.521 37.893 -11.121 1.00 0.00 C ATOM 900 O THR A 58 -10.647 37.849 -11.965 1.00 0.00 O ATOM 901 CB THR A 58 -11.617 40.307 -10.485 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.489 41.227 -9.409 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.999 40.453 -11.124 1.00 0.00 C ATOM 0 H THR A 58 -9.330 39.118 -9.799 1.00 0.00 H new ATOM 0 HA THR A 58 -12.242 38.667 -9.241 1.00 0.00 H new ATOM 0 HB THR A 58 -10.851 40.513 -11.232 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.596 42.141 -9.746 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.120 41.469 -11.501 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.095 39.746 -11.948 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.768 40.248 -10.379 1.00 0.00 H new ATOM 911 N LYS A 59 -12.553 37.097 -11.173 1.00 0.00 N ATOM 912 CA LYS A 59 -12.674 36.113 -12.283 1.00 0.00 C ATOM 913 C LYS A 59 -12.979 36.856 -13.584 1.00 0.00 C ATOM 914 O LYS A 59 -14.036 37.435 -13.741 1.00 0.00 O ATOM 915 CB LYS A 59 -13.809 35.137 -11.976 1.00 0.00 C ATOM 916 CG LYS A 59 -13.657 33.888 -12.843 1.00 0.00 C ATOM 917 CD LYS A 59 -14.745 32.878 -12.477 1.00 0.00 C ATOM 918 CE LYS A 59 -14.260 31.465 -12.802 1.00 0.00 C ATOM 919 NZ LYS A 59 -15.389 30.505 -12.643 1.00 0.00 N ATOM 0 H LYS A 59 -13.316 37.086 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.740 35.561 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.793 34.864 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.772 35.611 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.732 34.153 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.671 33.447 -12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.987 32.956 -11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.659 33.096 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.876 31.426 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.438 31.190 -12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.061 29.543 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.736 30.536 -11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.160 30.765 -13.291 1.00 0.00 H new ATOM 933 N LYS A 60 -12.070 36.854 -14.519 1.00 0.00 N ATOM 934 CA LYS A 60 -12.332 37.572 -15.798 1.00 0.00 C ATOM 935 C LYS A 60 -12.428 36.562 -16.943 1.00 0.00 C ATOM 936 O LYS A 60 -11.538 35.764 -17.156 1.00 0.00 O ATOM 937 CB LYS A 60 -11.193 38.555 -16.074 1.00 0.00 C ATOM 938 CG LYS A 60 -11.159 39.618 -14.974 1.00 0.00 C ATOM 939 CD LYS A 60 -10.526 40.899 -15.523 1.00 0.00 C ATOM 940 CE LYS A 60 -10.516 41.972 -14.432 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.678 43.316 -15.055 1.00 0.00 N ATOM 0 H LYS A 60 -11.164 36.390 -14.454 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.272 38.119 -15.721 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.242 38.025 -16.111 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.333 39.027 -17.046 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.169 39.822 -14.619 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.588 39.255 -14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.509 40.699 -15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.086 41.251 -16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.321 41.790 -13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.581 41.929 -13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.754 43.792 -15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.059 43.209 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.334 43.886 -14.484 1.00 0.00 H new ATOM 955 N GLY A 61 -13.502 36.589 -17.684 1.00 0.00 N ATOM 956 CA GLY A 61 -13.651 35.629 -18.813 1.00 0.00 C ATOM 957 C GLY A 61 -13.233 34.231 -18.350 1.00 0.00 C ATOM 958 O GLY A 61 -13.909 33.600 -17.562 1.00 0.00 O ATOM 0 H GLY A 61 -14.282 37.234 -17.556 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.684 35.616 -19.159 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.036 35.944 -19.656 1.00 0.00 H new ATOM 962 N ASN A 62 -12.121 33.745 -18.829 1.00 0.00 N ATOM 963 CA ASN A 62 -11.660 32.390 -18.413 1.00 0.00 C ATOM 964 C ASN A 62 -10.324 32.507 -17.677 1.00 0.00 C ATOM 965 O ASN A 62 -9.604 31.541 -17.520 1.00 0.00 O ATOM 966 CB ASN A 62 -11.486 31.506 -19.649 1.00 0.00 C ATOM 967 CG ASN A 62 -12.858 31.179 -20.242 1.00 0.00 C ATOM 968 OD1 ASN A 62 -13.858 31.238 -19.557 1.00 0.00 O ATOM 969 ND2 ASN A 62 -12.946 30.834 -21.498 1.00 0.00 N ATOM 0 H ASN A 62 -11.512 34.227 -19.490 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.401 31.944 -17.750 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.870 32.016 -20.390 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.966 30.586 -19.381 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.856 30.614 -21.904 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.105 30.785 -22.073 1.00 0.00 H new ATOM 976 N VAL A 63 -9.986 33.684 -17.224 1.00 0.00 N ATOM 977 CA VAL A 63 -8.696 33.860 -16.500 1.00 0.00 C ATOM 978 C VAL A 63 -8.940 34.642 -15.206 1.00 0.00 C ATOM 979 O VAL A 63 -10.062 34.959 -14.864 1.00 0.00 O ATOM 980 CB VAL A 63 -7.717 34.635 -17.385 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.237 33.733 -18.524 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.418 35.863 -17.969 1.00 0.00 C ATOM 0 H VAL A 63 -10.547 34.530 -17.324 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.277 32.883 -16.261 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.863 34.954 -16.788 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.540 34.284 -19.155 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.737 32.858 -18.109 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.092 33.414 -19.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.720 36.415 -18.599 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.273 35.545 -18.566 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.761 36.506 -17.158 1.00 0.00 H new ATOM 992 N TRP A 64 -7.899 34.959 -14.487 1.00 0.00 N ATOM 993 CA TRP A 64 -8.074 35.724 -13.219 1.00 0.00 C ATOM 994 C TRP A 64 -7.164 36.956 -13.245 1.00 0.00 C ATOM 995 O TRP A 64 -6.037 36.895 -13.697 1.00 0.00 O ATOM 996 CB TRP A 64 -7.704 34.838 -12.028 1.00 0.00 C ATOM 997 CG TRP A 64 -8.772 33.812 -11.820 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.954 32.714 -12.591 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.805 33.767 -10.793 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.033 32.000 -12.102 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.591 32.607 -10.996 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.134 34.610 -9.715 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.665 32.296 -10.160 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.214 34.299 -8.873 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -11.977 33.144 -9.095 1.00 0.00 C ATOM 0 H TRP A 64 -6.935 34.722 -14.722 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.113 36.038 -13.122 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.746 34.350 -12.208 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.589 35.446 -11.131 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.355 32.441 -13.447 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.375 31.130 -12.510 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.552 35.502 -9.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.251 31.406 -10.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.458 34.954 -8.049 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.806 32.910 -8.443 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.643 38.074 -12.770 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.799 39.302 -12.778 1.00 0.00 C ATOM 1018 C GLU A 65 -6.631 39.823 -11.350 1.00 0.00 C ATOM 1019 O GLU A 65 -7.576 39.901 -10.590 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.470 40.379 -13.633 1.00 0.00 C ATOM 1021 CG GLU A 65 -6.760 41.717 -13.419 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.093 42.660 -14.577 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -8.114 43.323 -14.501 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -6.319 42.705 -15.519 1.00 0.00 O ATOM 0 H GLU A 65 -8.578 38.190 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.821 39.061 -13.194 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.431 40.099 -14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.523 40.467 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.073 42.160 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.683 41.564 -13.359 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.432 40.184 -10.980 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.198 40.704 -9.606 1.00 0.00 C ATOM 1033 C VAL A 66 -4.394 42.003 -9.687 1.00 0.00 C ATOM 1034 O VAL A 66 -3.369 42.068 -10.337 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.414 39.668 -8.794 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.940 39.703 -9.204 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.538 39.989 -7.303 1.00 0.00 C ATOM 0 H VAL A 66 -4.603 40.140 -11.573 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.155 40.896 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.819 38.675 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.384 38.965 -8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.852 39.473 -10.266 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.533 40.696 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.980 39.252 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.134 40.983 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.588 39.961 -7.011 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.846 43.039 -9.037 1.00 0.00 N ATOM 1048 CA LYS A 67 -4.099 44.326 -9.085 1.00 0.00 C ATOM 1049 C LYS A 67 -3.682 44.728 -7.670 1.00 0.00 C ATOM 1050 O LYS A 67 -4.473 44.715 -6.748 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.984 45.414 -9.693 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.487 44.955 -11.064 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.560 45.924 -11.567 1.00 0.00 C ATOM 1054 CE LYS A 67 -7.081 45.446 -12.925 1.00 0.00 C ATOM 1055 NZ LYS A 67 -8.245 46.282 -13.333 1.00 0.00 N ATOM 0 H LYS A 67 -5.698 43.050 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.209 44.205 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.828 45.621 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.421 46.342 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.659 44.914 -11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.896 43.947 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.379 45.981 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.145 46.928 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.291 45.513 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.375 44.398 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.599 45.958 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.000 46.196 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.950 47.276 -13.406 1.00 0.00 H new ATOM 1069 N SER A 68 -2.438 45.083 -7.497 1.00 0.00 N ATOM 1070 CA SER A 68 -1.949 45.485 -6.150 1.00 0.00 C ATOM 1071 C SER A 68 -1.485 46.941 -6.195 1.00 0.00 C ATOM 1072 O SER A 68 -0.852 47.371 -7.140 1.00 0.00 O ATOM 1073 CB SER A 68 -0.770 44.594 -5.757 1.00 0.00 C ATOM 1074 OG SER A 68 -0.539 44.703 -4.359 1.00 0.00 O ATOM 0 H SER A 68 -1.736 45.112 -8.236 1.00 0.00 H new ATOM 0 HA SER A 68 -2.752 45.378 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.979 43.558 -6.022 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.123 44.890 -6.308 1.00 0.00 H new ATOM 0 HG SER A 68 0.179 44.089 -4.097 1.00 0.00 H new ATOM 1080 N SER A 69 -1.790 47.705 -5.184 1.00 0.00 N ATOM 1081 CA SER A 69 -1.358 49.129 -5.177 1.00 0.00 C ATOM 1082 C SER A 69 0.169 49.192 -5.110 1.00 0.00 C ATOM 1083 O SER A 69 0.768 50.233 -5.295 1.00 0.00 O ATOM 1084 CB SER A 69 -1.955 49.841 -3.962 1.00 0.00 C ATOM 1085 OG SER A 69 -1.512 49.201 -2.774 1.00 0.00 O ATOM 0 H SER A 69 -2.318 47.406 -4.364 1.00 0.00 H new ATOM 0 HA SER A 69 -1.704 49.620 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.655 50.889 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.044 49.822 -4.014 1.00 0.00 H new ATOM 0 HG SER A 69 -1.893 49.658 -1.995 1.00 0.00 H new ATOM 1091 N LYS A 70 0.804 48.082 -4.845 1.00 0.00 N ATOM 1092 CA LYS A 70 2.291 48.069 -4.765 1.00 0.00 C ATOM 1093 C LYS A 70 2.844 47.081 -5.795 1.00 0.00 C ATOM 1094 O LYS A 70 2.101 46.404 -6.477 1.00 0.00 O ATOM 1095 CB LYS A 70 2.715 47.636 -3.360 1.00 0.00 C ATOM 1096 CG LYS A 70 3.293 48.837 -2.612 1.00 0.00 C ATOM 1097 CD LYS A 70 2.191 49.502 -1.785 1.00 0.00 C ATOM 1098 CE LYS A 70 1.965 48.705 -0.499 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.171 48.813 0.370 1.00 0.00 N ATOM 0 H LYS A 70 0.354 47.181 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 70 2.681 49.065 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.859 47.233 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.457 46.840 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.107 48.516 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.713 49.552 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.471 50.528 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.268 49.550 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.089 49.084 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.767 47.660 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.893 48.695 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.853 48.072 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.609 49.747 0.241 1.00 0.00 H new ATOM 1113 N PRO A 71 4.179 47.000 -5.910 1.00 0.00 N ATOM 1114 CA PRO A 71 4.838 46.094 -6.860 1.00 0.00 C ATOM 1115 C PRO A 71 4.653 44.624 -6.467 1.00 0.00 C ATOM 1116 O PRO A 71 4.271 44.312 -5.356 1.00 0.00 O ATOM 1117 CB PRO A 71 6.312 46.484 -6.762 1.00 0.00 C ATOM 1118 CG PRO A 71 6.452 47.087 -5.406 1.00 0.00 C ATOM 1119 CD PRO A 71 5.150 47.782 -5.125 1.00 0.00 C ATOM 0 HA PRO A 71 4.427 46.184 -7.865 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.960 45.616 -6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.587 47.194 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.655 46.321 -4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.284 47.790 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.909 47.773 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.174 48.826 -5.438 1.00 0.00 H new ATOM 1127 N LEU A 72 4.915 43.721 -7.371 1.00 0.00 N ATOM 1128 CA LEU A 72 4.749 42.274 -7.053 1.00 0.00 C ATOM 1129 C LEU A 72 6.111 41.651 -6.742 1.00 0.00 C ATOM 1130 O LEU A 72 7.107 41.964 -7.363 1.00 0.00 O ATOM 1131 CB LEU A 72 4.120 41.558 -8.249 1.00 0.00 C ATOM 1132 CG LEU A 72 2.764 42.187 -8.569 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.393 41.888 -10.023 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.699 41.602 -7.640 1.00 0.00 C ATOM 0 H LEU A 72 5.237 43.922 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 72 4.101 42.170 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.778 41.628 -9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.997 40.498 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 72 2.820 43.266 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.426 42.336 -10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.152 42.305 -10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.336 40.809 -10.170 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.732 42.050 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.642 40.523 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.963 41.815 -6.604 1.00 0.00 H new ATOM 1146 N VAL A 73 6.154 40.767 -5.783 1.00 0.00 N ATOM 1147 CA VAL A 73 7.442 40.113 -5.421 1.00 0.00 C ATOM 1148 C VAL A 73 7.257 38.595 -5.424 1.00 0.00 C ATOM 1149 O VAL A 73 6.390 38.063 -4.759 1.00 0.00 O ATOM 1150 CB VAL A 73 7.867 40.569 -4.024 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.220 39.946 -3.673 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.989 42.094 -4.004 1.00 0.00 C ATOM 0 H VAL A 73 5.349 40.469 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 73 8.209 40.390 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 73 7.121 40.252 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.523 40.271 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.136 38.859 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.967 40.263 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.292 42.422 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.736 42.409 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.026 42.539 -4.255 1.00 0.00 H new ATOM 1162 N GLY A 74 8.066 37.892 -6.166 1.00 0.00 N ATOM 1163 CA GLY A 74 7.938 36.407 -6.210 1.00 0.00 C ATOM 1164 C GLY A 74 8.883 35.783 -5.181 1.00 0.00 C ATOM 1165 O GLY A 74 9.779 36.431 -4.676 1.00 0.00 O ATOM 0 H GLY A 74 8.811 38.281 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.909 36.114 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.177 36.040 -7.208 1.00 0.00 H new ATOM 1169 N PRO A 75 8.676 34.494 -4.863 1.00 0.00 N ATOM 1170 CA PRO A 75 7.601 33.688 -5.458 1.00 0.00 C ATOM 1171 C PRO A 75 6.215 34.149 -4.995 1.00 0.00 C ATOM 1172 O PRO A 75 6.040 34.635 -3.896 1.00 0.00 O ATOM 1173 CB PRO A 75 7.888 32.277 -4.951 1.00 0.00 C ATOM 1174 CG PRO A 75 8.657 32.481 -3.690 1.00 0.00 C ATOM 1175 CD PRO A 75 9.476 33.724 -3.895 1.00 0.00 C ATOM 0 HA PRO A 75 7.585 33.766 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.965 31.726 -4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.463 31.704 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.986 32.593 -2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.297 31.623 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.618 34.272 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.468 33.494 -4.284 1.00 0.00 H new ATOM 1183 N PHE A 76 5.232 34.011 -5.843 1.00 0.00 N ATOM 1184 CA PHE A 76 3.854 34.451 -5.481 1.00 0.00 C ATOM 1185 C PHE A 76 3.063 33.290 -4.878 1.00 0.00 C ATOM 1186 O PHE A 76 3.269 32.140 -5.215 1.00 0.00 O ATOM 1187 CB PHE A 76 3.143 34.930 -6.748 1.00 0.00 C ATOM 1188 CG PHE A 76 3.870 36.131 -7.301 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.826 37.351 -6.616 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.591 36.024 -8.496 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.503 38.464 -7.125 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.268 37.139 -9.005 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.224 38.359 -8.320 1.00 0.00 C ATOM 0 H PHE A 76 5.325 33.610 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 76 3.917 35.255 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.119 34.132 -7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.108 35.188 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.269 37.433 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.625 35.083 -9.025 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.469 39.405 -6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.825 37.058 -9.927 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.746 39.219 -8.713 1.00 0.00 H new ATOM 1203 N ASN A 77 2.145 33.586 -3.999 1.00 0.00 N ATOM 1204 CA ASN A 77 1.322 32.507 -3.385 1.00 0.00 C ATOM 1205 C ASN A 77 -0.114 32.626 -3.905 1.00 0.00 C ATOM 1206 O ASN A 77 -0.620 33.711 -4.107 1.00 0.00 O ATOM 1207 CB ASN A 77 1.328 32.659 -1.862 1.00 0.00 C ATOM 1208 CG ASN A 77 2.753 32.937 -1.383 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.593 32.058 -1.393 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.065 34.132 -0.960 1.00 0.00 N ATOM 0 H ASN A 77 1.929 34.530 -3.679 1.00 0.00 H new ATOM 0 HA ASN A 77 1.734 31.533 -3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.668 33.474 -1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.946 31.752 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.013 34.328 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.361 34.870 -0.951 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.776 31.523 -4.128 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.177 31.591 -4.639 1.00 0.00 C ATOM 1219 C PHE A 78 -3.062 30.617 -3.854 1.00 0.00 C ATOM 1220 O PHE A 78 -2.768 29.443 -3.754 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.204 31.199 -6.119 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.520 32.258 -6.955 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.126 32.255 -7.090 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.284 33.233 -7.607 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.504 33.230 -7.876 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.655 34.206 -8.395 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.262 34.206 -8.530 1.00 0.00 C ATOM 0 H PHE A 78 -0.411 30.582 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.550 32.608 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.706 30.239 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.235 31.074 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.464 31.502 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.359 33.235 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.579 33.230 -7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.246 34.957 -8.899 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.222 34.957 -9.137 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.154 31.088 -3.308 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.055 30.173 -2.551 1.00 0.00 C ATOM 1239 C ARG A 79 -6.329 29.948 -3.370 1.00 0.00 C ATOM 1240 O ARG A 79 -6.807 30.837 -4.045 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.407 30.783 -1.194 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.235 29.783 -0.386 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.486 30.344 1.014 1.00 0.00 C ATOM 1244 NE ARG A 79 -6.809 29.229 1.946 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.047 29.479 3.205 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -6.725 30.637 3.710 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.607 28.572 3.957 1.00 0.00 N ATOM 0 H ARG A 79 -4.458 32.061 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.552 29.221 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.497 31.040 -0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.968 31.707 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.183 29.590 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.710 28.830 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.605 30.882 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.307 31.060 0.988 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.844 28.270 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.288 31.346 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.910 30.834 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.859 27.666 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.792 28.768 4.941 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.859 28.755 -3.348 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.075 28.466 -4.160 1.00 0.00 C ATOM 1263 C PHE A 80 -9.209 27.913 -3.296 1.00 0.00 C ATOM 1264 O PHE A 80 -8.991 27.144 -2.384 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.719 27.413 -5.202 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.104 28.086 -6.403 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.918 28.816 -6.262 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.717 27.984 -7.657 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.345 29.444 -7.372 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.143 28.612 -8.769 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.956 29.342 -8.625 1.00 0.00 C ATOM 0 H PHE A 80 -6.503 27.969 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.408 29.396 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.022 26.689 -4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.611 26.861 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.445 28.894 -5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.632 27.421 -7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.431 30.008 -7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.615 28.534 -9.737 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.513 29.826 -9.483 1.00 0.00 H new ATOM 1281 N MET A 81 -10.424 28.279 -3.600 1.00 0.00 N ATOM 1282 CA MET A 81 -11.582 27.752 -2.822 1.00 0.00 C ATOM 1283 C MET A 81 -12.587 27.134 -3.801 1.00 0.00 C ATOM 1284 O MET A 81 -13.004 27.760 -4.755 1.00 0.00 O ATOM 1285 CB MET A 81 -12.242 28.880 -2.029 1.00 0.00 C ATOM 1286 CG MET A 81 -13.602 28.409 -1.509 1.00 0.00 C ATOM 1287 SD MET A 81 -14.429 29.774 -0.656 1.00 0.00 S ATOM 1288 CE MET A 81 -14.334 29.086 1.015 1.00 0.00 C ATOM 0 H MET A 81 -10.666 28.921 -4.355 1.00 0.00 H new ATOM 0 HA MET A 81 -11.240 26.995 -2.116 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.604 29.175 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.367 29.759 -2.661 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.218 28.057 -2.337 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.471 27.567 -0.829 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.328 29.078 1.462 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.949 28.067 0.968 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.668 29.698 1.623 1.00 0.00 H new ATOM 1298 N SER A 82 -12.958 25.899 -3.584 1.00 0.00 N ATOM 1299 CA SER A 82 -13.910 25.230 -4.515 1.00 0.00 C ATOM 1300 C SER A 82 -15.325 25.774 -4.305 1.00 0.00 C ATOM 1301 O SER A 82 -15.717 26.088 -3.197 1.00 0.00 O ATOM 1302 CB SER A 82 -13.910 23.726 -4.240 1.00 0.00 C ATOM 1303 OG SER A 82 -14.754 23.449 -3.131 1.00 0.00 O ATOM 0 H SER A 82 -12.642 25.326 -2.802 1.00 0.00 H new ATOM 0 HA SER A 82 -13.599 25.425 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.257 23.184 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.896 23.383 -4.034 1.00 0.00 H new ATOM 0 HG SER A 82 -15.471 22.841 -3.409 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.102 25.866 -5.350 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.497 26.370 -5.195 1.00 0.00 C ATOM 1311 C LYS A 83 -18.164 25.635 -4.030 1.00 0.00 C ATOM 1312 O LYS A 83 -18.828 26.230 -3.204 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.288 26.109 -6.480 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.698 26.936 -7.625 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.494 26.676 -8.905 1.00 0.00 C ATOM 1316 CE LYS A 83 -17.921 27.524 -10.043 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.257 26.895 -11.351 1.00 0.00 N ATOM 0 H LYS A 83 -15.833 25.615 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.479 27.442 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.255 25.049 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.336 26.369 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.728 27.996 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.651 26.673 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.448 25.619 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.545 26.920 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.328 28.534 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.840 27.611 -9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.197 27.609 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.586 26.125 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.223 26.511 -11.314 1.00 0.00 H new ATOM 1331 N GLY A 84 -17.989 24.343 -3.960 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.608 23.554 -2.854 1.00 0.00 C ATOM 1333 C GLY A 84 -18.165 24.109 -1.494 1.00 0.00 C ATOM 1334 O GLY A 84 -18.611 23.659 -0.458 1.00 0.00 O ATOM 0 H GLY A 84 -17.441 23.797 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.694 23.592 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.319 22.506 -2.939 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.299 25.086 -1.486 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.845 25.665 -0.190 1.00 0.00 C ATOM 1340 C GLY A 85 -15.548 24.989 0.255 1.00 0.00 C ATOM 1341 O GLY A 85 -15.227 24.955 1.426 1.00 0.00 O ATOM 0 H GLY A 85 -16.887 25.507 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.688 26.738 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.615 25.529 0.569 1.00 0.00 H new ATOM 1345 N MET A 86 -14.793 24.459 -0.668 1.00 0.00 N ATOM 1346 CA MET A 86 -13.512 23.798 -0.286 1.00 0.00 C ATOM 1347 C MET A 86 -12.371 24.792 -0.493 1.00 0.00 C ATOM 1348 O MET A 86 -12.437 25.641 -1.354 1.00 0.00 O ATOM 1349 CB MET A 86 -13.285 22.565 -1.162 1.00 0.00 C ATOM 1350 CG MET A 86 -14.559 21.718 -1.188 1.00 0.00 C ATOM 1351 SD MET A 86 -14.440 20.416 0.063 1.00 0.00 S ATOM 1352 CE MET A 86 -12.954 19.615 -0.586 1.00 0.00 C ATOM 0 H MET A 86 -15.006 24.455 -1.666 1.00 0.00 H new ATOM 0 HA MET A 86 -13.551 23.486 0.758 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.016 22.869 -2.174 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.453 21.978 -0.774 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.430 22.345 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.696 21.277 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.029 18.537 -0.442 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.858 19.833 -1.650 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.078 19.991 -0.058 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.336 24.720 0.297 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.223 25.695 0.126 1.00 0.00 C ATOM 1364 C ARG A 87 -8.893 24.966 -0.084 1.00 0.00 C ATOM 1365 O ARG A 87 -8.601 23.979 0.559 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.125 26.571 1.376 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.345 27.490 1.453 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.204 28.429 2.651 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.360 27.653 3.914 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.146 28.094 4.858 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.212 29.372 5.107 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.866 27.254 5.551 1.00 0.00 N ATOM 0 H ARG A 87 -11.213 24.037 1.045 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.427 26.310 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.071 25.946 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.211 27.164 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.436 28.068 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.255 26.897 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.230 28.918 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.957 29.216 2.600 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.852 26.777 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.649 30.027 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.826 29.717 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.814 26.254 5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.481 27.597 6.289 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.077 25.474 -0.968 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.748 24.850 -1.217 1.00 0.00 C ATOM 1388 C ASN A 88 -5.708 25.969 -1.286 1.00 0.00 C ATOM 1389 O ASN A 88 -5.962 27.025 -1.828 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.772 24.077 -2.537 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.740 22.897 -2.420 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.778 22.882 -3.050 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.440 21.900 -1.634 1.00 0.00 N ATOM 0 H ASN A 88 -8.277 26.300 -1.532 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.502 24.152 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.080 24.734 -3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.772 23.718 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.077 21.108 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.568 21.912 -1.105 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.549 25.762 -0.728 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.519 26.838 -0.758 1.00 0.00 C ATOM 1402 C VAL A 89 -2.245 26.337 -1.435 1.00 0.00 C ATOM 1403 O VAL A 89 -1.787 25.238 -1.188 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.195 27.270 0.673 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.169 28.405 0.640 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.472 27.756 1.361 1.00 0.00 C ATOM 0 H VAL A 89 -4.271 24.902 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.910 27.684 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.786 26.424 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.936 28.715 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.259 28.059 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.580 29.251 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.241 28.064 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.882 28.603 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.204 26.948 1.383 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.664 27.143 -2.278 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.411 26.731 -2.967 1.00 0.00 C ATOM 1418 C PHE A 90 0.662 27.792 -2.721 1.00 0.00 C ATOM 1419 O PHE A 90 0.479 28.953 -3.029 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.664 26.602 -4.469 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.858 25.710 -4.707 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.994 24.514 -3.992 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -2.829 26.078 -5.647 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -3.101 23.687 -4.216 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -3.936 25.251 -5.870 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.071 24.055 -5.155 1.00 0.00 C ATOM 0 H PHE A 90 -2.005 28.073 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.079 25.769 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.840 27.586 -4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.216 26.188 -4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.245 24.230 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.724 27.000 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.206 22.765 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.686 25.535 -6.593 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.924 23.416 -5.328 1.00 0.00 H new ATOM 1436 N ASP A 91 1.777 27.406 -2.169 1.00 0.00 N ATOM 1437 CA ASP A 91 2.854 28.400 -1.906 1.00 0.00 C ATOM 1438 C ASP A 91 3.908 28.312 -3.010 1.00 0.00 C ATOM 1439 O ASP A 91 4.164 27.258 -3.558 1.00 0.00 O ATOM 1440 CB ASP A 91 3.503 28.105 -0.552 1.00 0.00 C ATOM 1441 CG ASP A 91 2.516 28.433 0.569 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.542 29.115 0.294 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.749 27.996 1.685 1.00 0.00 O ATOM 0 H ASP A 91 1.989 26.448 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 91 2.428 29.403 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.796 27.056 -0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.411 28.696 -0.436 1.00 0.00 H new ATOM 1448 N GLU A 92 4.525 29.413 -3.336 1.00 0.00 N ATOM 1449 CA GLU A 92 5.567 29.398 -4.399 1.00 0.00 C ATOM 1450 C GLU A 92 5.005 28.770 -5.675 1.00 0.00 C ATOM 1451 O GLU A 92 5.597 27.874 -6.243 1.00 0.00 O ATOM 1452 CB GLU A 92 6.766 28.578 -3.919 1.00 0.00 C ATOM 1453 CG GLU A 92 7.528 29.363 -2.849 1.00 0.00 C ATOM 1454 CD GLU A 92 8.741 28.553 -2.387 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.905 27.444 -2.868 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.483 29.056 -1.560 1.00 0.00 O ATOM 0 H GLU A 92 4.352 30.324 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 92 5.877 30.421 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.428 27.624 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.425 28.353 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.851 30.324 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.874 29.573 -2.003 1.00 0.00 H new ATOM 1463 N VAL A 93 3.873 29.227 -6.143 1.00 0.00 N ATOM 1464 CA VAL A 93 3.300 28.642 -7.389 1.00 0.00 C ATOM 1465 C VAL A 93 3.991 29.265 -8.603 1.00 0.00 C ATOM 1466 O VAL A 93 4.196 28.619 -9.611 1.00 0.00 O ATOM 1467 CB VAL A 93 1.798 28.933 -7.449 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.272 28.611 -8.849 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.067 28.068 -6.420 1.00 0.00 C ATOM 0 H VAL A 93 3.324 29.975 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 93 3.458 27.564 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 93 1.624 29.986 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.203 28.818 -8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.791 29.227 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.447 27.558 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.002 28.276 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.241 27.015 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.441 28.296 -5.422 1.00 0.00 H new ATOM 1479 N ILE A 94 4.360 30.514 -8.515 1.00 0.00 N ATOM 1480 CA ILE A 94 5.043 31.170 -9.664 1.00 0.00 C ATOM 1481 C ILE A 94 6.194 32.028 -9.137 1.00 0.00 C ATOM 1482 O ILE A 94 6.009 32.868 -8.281 1.00 0.00 O ATOM 1483 CB ILE A 94 4.047 32.051 -10.419 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.063 31.163 -11.186 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.801 32.944 -11.406 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.783 31.950 -11.480 1.00 0.00 C ATOM 0 H ILE A 94 4.218 31.107 -7.698 1.00 0.00 H new ATOM 0 HA ILE A 94 5.432 30.411 -10.342 1.00 0.00 H new ATOM 0 HB ILE A 94 3.501 32.673 -9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.515 30.823 -12.118 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.829 30.273 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.091 33.572 -11.944 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.504 33.575 -10.862 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.346 32.322 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.084 31.317 -12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.328 32.268 -10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.025 32.826 -12.082 1.00 0.00 H new ATOM 1498 N PRO A 95 7.409 31.801 -9.657 1.00 0.00 N ATOM 1499 CA PRO A 95 8.600 32.546 -9.234 1.00 0.00 C ATOM 1500 C PRO A 95 8.548 34.008 -9.684 1.00 0.00 C ATOM 1501 O PRO A 95 7.794 34.373 -10.564 1.00 0.00 O ATOM 1502 CB PRO A 95 9.747 31.815 -9.931 1.00 0.00 C ATOM 1503 CG PRO A 95 9.114 31.166 -11.115 1.00 0.00 C ATOM 1504 CD PRO A 95 7.715 30.804 -10.698 1.00 0.00 C ATOM 0 HA PRO A 95 8.700 32.578 -8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.534 32.507 -10.231 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.206 31.077 -9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.103 31.842 -11.970 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.672 30.280 -11.417 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.017 30.865 -11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.660 29.787 -10.311 1.00 0.00 H new ATOM 1512 N THR A 96 9.341 34.848 -9.077 1.00 0.00 N ATOM 1513 CA THR A 96 9.335 36.289 -9.457 1.00 0.00 C ATOM 1514 C THR A 96 9.639 36.436 -10.950 1.00 0.00 C ATOM 1515 O THR A 96 9.058 37.260 -11.628 1.00 0.00 O ATOM 1516 CB THR A 96 10.398 37.033 -8.644 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.417 36.526 -7.317 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.067 38.527 -8.617 1.00 0.00 C ATOM 0 H THR A 96 9.993 34.598 -8.334 1.00 0.00 H new ATOM 0 HA THR A 96 8.352 36.711 -9.249 1.00 0.00 H new ATOM 0 HB THR A 96 11.376 36.888 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.098 37.000 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.824 39.057 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.052 38.915 -9.636 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.090 38.675 -8.158 1.00 0.00 H new ATOM 1526 N ALA A 97 10.544 35.653 -11.470 1.00 0.00 N ATOM 1527 CA ALA A 97 10.872 35.769 -12.918 1.00 0.00 C ATOM 1528 C ALA A 97 9.923 34.884 -13.729 1.00 0.00 C ATOM 1529 O ALA A 97 10.317 33.870 -14.271 1.00 0.00 O ATOM 1530 CB ALA A 97 12.315 35.323 -13.156 1.00 0.00 C ATOM 0 H ALA A 97 11.067 34.942 -10.958 1.00 0.00 H new ATOM 0 HA ALA A 97 10.759 36.807 -13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.552 35.409 -14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.991 35.956 -12.581 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.432 34.286 -12.841 1.00 0.00 H new ATOM 1536 N PHE A 98 8.676 35.253 -13.812 1.00 0.00 N ATOM 1537 CA PHE A 98 7.705 34.426 -14.583 1.00 0.00 C ATOM 1538 C PHE A 98 7.829 34.743 -16.073 1.00 0.00 C ATOM 1539 O PHE A 98 8.140 35.853 -16.460 1.00 0.00 O ATOM 1540 CB PHE A 98 6.282 34.734 -14.113 1.00 0.00 C ATOM 1541 CG PHE A 98 5.992 36.204 -14.311 1.00 0.00 C ATOM 1542 CD1 PHE A 98 6.330 37.125 -13.312 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.383 36.645 -15.491 1.00 0.00 C ATOM 1544 CE1 PHE A 98 6.061 38.486 -13.496 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.113 38.006 -15.675 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.452 38.927 -14.677 1.00 0.00 C ATOM 0 H PHE A 98 8.286 36.091 -13.380 1.00 0.00 H new ATOM 0 HA PHE A 98 7.921 33.370 -14.418 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.565 34.133 -14.672 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.170 34.469 -13.062 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.798 36.785 -12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.121 35.934 -16.261 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.323 39.197 -12.726 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.643 38.345 -16.586 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.244 39.977 -14.818 1.00 0.00 H new ATOM 1556 N SER A 99 7.582 33.777 -16.913 1.00 0.00 N ATOM 1557 CA SER A 99 7.679 34.019 -18.378 1.00 0.00 C ATOM 1558 C SER A 99 6.277 33.994 -18.985 1.00 0.00 C ATOM 1559 O SER A 99 5.322 33.604 -18.343 1.00 0.00 O ATOM 1560 CB SER A 99 8.534 32.925 -19.022 1.00 0.00 C ATOM 1561 OG SER A 99 9.893 33.103 -18.649 1.00 0.00 O ATOM 0 H SER A 99 7.317 32.829 -16.647 1.00 0.00 H new ATOM 0 HA SER A 99 8.140 34.990 -18.559 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.185 31.942 -18.705 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.436 32.964 -20.107 1.00 0.00 H new ATOM 0 HG SER A 99 10.440 32.401 -19.060 1.00 0.00 H new ATOM 1567 N ILE A 100 6.140 34.406 -20.215 1.00 0.00 N ATOM 1568 CA ILE A 100 4.791 34.398 -20.846 1.00 0.00 C ATOM 1569 C ILE A 100 4.689 33.211 -21.805 1.00 0.00 C ATOM 1570 O ILE A 100 5.592 32.942 -22.573 1.00 0.00 O ATOM 1571 CB ILE A 100 4.573 35.702 -21.616 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.607 36.884 -20.644 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.216 35.659 -22.319 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.403 36.804 -19.703 1.00 0.00 C ATOM 0 H ILE A 100 6.898 34.746 -20.807 1.00 0.00 H new ATOM 0 HA ILE A 100 4.028 34.309 -20.072 1.00 0.00 H new ATOM 0 HB ILE A 100 5.363 35.820 -22.358 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.533 36.870 -20.069 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.589 37.824 -21.196 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.061 36.588 -22.868 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.192 34.819 -23.014 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.426 35.539 -21.578 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.426 37.645 -19.010 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.483 36.839 -20.286 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.441 35.871 -19.142 1.00 0.00 H new ATOM 1586 N GLY A 101 3.595 32.501 -21.772 1.00 0.00 N ATOM 1587 CA GLY A 101 3.437 31.337 -22.687 1.00 0.00 C ATOM 1588 C GLY A 101 3.807 30.044 -21.953 1.00 0.00 C ATOM 1589 O GLY A 101 3.849 28.981 -22.539 1.00 0.00 O ATOM 0 H GLY A 101 2.805 32.677 -21.151 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.409 31.281 -23.045 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.073 31.463 -23.563 1.00 0.00 H new ATOM 1593 N LYS A 102 4.072 30.121 -20.676 1.00 0.00 N ATOM 1594 CA LYS A 102 4.433 28.886 -19.923 1.00 0.00 C ATOM 1595 C LYS A 102 3.413 28.659 -18.805 1.00 0.00 C ATOM 1596 O LYS A 102 2.932 29.593 -18.196 1.00 0.00 O ATOM 1597 CB LYS A 102 5.832 29.042 -19.322 1.00 0.00 C ATOM 1598 CG LYS A 102 6.370 27.671 -18.911 1.00 0.00 C ATOM 1599 CD LYS A 102 7.666 27.851 -18.117 1.00 0.00 C ATOM 1600 CE LYS A 102 8.228 26.480 -17.740 1.00 0.00 C ATOM 1601 NZ LYS A 102 8.325 25.630 -18.960 1.00 0.00 N ATOM 0 H LYS A 102 4.054 30.979 -20.125 1.00 0.00 H new ATOM 0 HA LYS A 102 4.427 28.031 -20.599 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.501 29.504 -20.048 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.795 29.704 -18.457 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.631 27.144 -18.307 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.554 27.060 -19.795 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.394 28.404 -18.710 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.476 28.438 -17.218 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.211 26.591 -17.282 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.585 26.002 -17.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.034 24.885 -18.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.401 25.194 -19.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.608 26.217 -19.771 1.00 0.00 H new ATOM 1615 N THR A 103 3.069 27.427 -18.531 1.00 0.00 N ATOM 1616 CA THR A 103 2.071 27.165 -17.455 1.00 0.00 C ATOM 1617 C THR A 103 2.770 27.246 -16.096 1.00 0.00 C ATOM 1618 O THR A 103 3.971 27.415 -16.023 1.00 0.00 O ATOM 1619 CB THR A 103 1.483 25.764 -17.637 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.169 25.559 -19.007 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.213 25.628 -16.794 1.00 0.00 C ATOM 0 H THR A 103 3.433 26.599 -19.002 1.00 0.00 H new ATOM 0 HA THR A 103 1.272 27.905 -17.506 1.00 0.00 H new ATOM 0 HB THR A 103 2.211 25.019 -17.315 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.794 24.661 -19.126 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.205 24.630 -16.924 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.455 25.786 -15.743 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.517 26.372 -17.113 1.00 0.00 H new ATOM 1629 N TYR A 104 2.046 27.113 -15.019 1.00 0.00 N ATOM 1630 CA TYR A 104 2.699 27.171 -13.683 1.00 0.00 C ATOM 1631 C TYR A 104 1.752 26.572 -12.641 1.00 0.00 C ATOM 1632 O TYR A 104 0.868 27.235 -12.137 1.00 0.00 O ATOM 1633 CB TYR A 104 3.017 28.623 -13.332 1.00 0.00 C ATOM 1634 CG TYR A 104 4.291 29.029 -14.032 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.505 28.435 -13.669 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.258 29.992 -15.049 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.688 28.805 -14.319 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.441 30.362 -15.700 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.656 29.768 -15.335 1.00 0.00 C ATOM 1640 OH TYR A 104 7.822 30.134 -15.977 1.00 0.00 O ATOM 0 H TYR A 104 1.037 26.968 -15.007 1.00 0.00 H new ATOM 0 HA TYR A 104 3.628 26.602 -13.697 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.196 29.273 -13.637 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.128 28.734 -12.253 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.529 27.691 -12.887 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.321 30.449 -15.331 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.625 28.348 -14.037 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.417 31.105 -16.483 1.00 0.00 H new ATOM 0 HH TYR A 104 8.527 29.486 -15.770 1.00 0.00 H new ATOM 1650 N LYS A 105 1.922 25.318 -12.326 1.00 0.00 N ATOM 1651 CA LYS A 105 1.023 24.670 -11.326 1.00 0.00 C ATOM 1652 C LYS A 105 1.746 24.544 -9.985 1.00 0.00 C ATOM 1653 O LYS A 105 2.948 24.705 -9.900 1.00 0.00 O ATOM 1654 CB LYS A 105 0.623 23.273 -11.816 1.00 0.00 C ATOM 1655 CG LYS A 105 0.942 23.130 -13.307 1.00 0.00 C ATOM 1656 CD LYS A 105 0.495 21.750 -13.793 1.00 0.00 C ATOM 1657 CE LYS A 105 1.469 20.688 -13.279 1.00 0.00 C ATOM 1658 NZ LYS A 105 2.846 21.003 -13.756 1.00 0.00 N ATOM 0 H LYS A 105 2.644 24.713 -12.717 1.00 0.00 H new ATOM 0 HA LYS A 105 0.130 25.283 -11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.157 22.512 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.441 23.110 -11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.434 23.910 -13.875 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.011 23.258 -13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.513 21.537 -13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.460 21.730 -14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 105 1.448 20.657 -12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.167 19.702 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.309 20.130 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.794 21.681 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.397 21.418 -12.977 1.00 0.00 H new ATOM 1672 N PRO A 106 0.991 24.246 -8.917 1.00 0.00 N ATOM 1673 CA PRO A 106 1.553 24.093 -7.569 1.00 0.00 C ATOM 1674 C PRO A 106 2.384 22.812 -7.443 1.00 0.00 C ATOM 1675 O PRO A 106 2.032 21.778 -7.976 1.00 0.00 O ATOM 1676 CB PRO A 106 0.318 23.999 -6.675 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.760 23.489 -7.570 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.469 24.038 -8.938 1.00 0.00 C ATOM 0 HA PRO A 106 2.223 24.913 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.487 23.325 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.058 24.971 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.771 22.399 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.740 23.814 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.765 23.341 -9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.005 24.969 -9.120 1.00 0.00 H new