USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 THR N :NH3+ -165:sc= -0.0233 (180deg=-0.381) USER MOD Single : A 0 THR OG1 : rot -160:sc= -0.181 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.414 (180deg=-0.705) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 21 TYR OH : rot 54:sc= 0.382 USER MOD Single : A 29 THR OG1 : rot 113:sc= 1.18 USER MOD Single : A 36 SER OG : rot 81:sc= 0.58 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc=-0.00187 (180deg=-1.46!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 59 ASN : amide:sc= -0.0573 K(o=-0.057,f=-2!) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0.24 (180deg=0.191) USER MOD Single : A 63 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.47) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.298 F(o=-0.95,f=-0.3) USER MOD Single : A 73 MET CE :methyl -169:sc= -0.273 (180deg=-0.491) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.469 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.209 -7.553 -13.639 1.00 0.00 N ATOM 181 CA THR A 0 4.304 -6.200 -14.212 1.00 0.00 C ATOM 182 C THR A 0 5.765 -5.747 -14.318 1.00 0.00 C ATOM 183 O THR A 0 6.574 -6.037 -13.427 1.00 0.00 O ATOM 184 CB THR A 0 3.482 -5.169 -13.368 1.00 0.00 C ATOM 185 OG1 THR A 0 4.032 -5.044 -12.050 1.00 0.00 O ATOM 186 CG2 THR A 0 2.011 -5.582 -13.256 1.00 0.00 C ATOM 0 H1 THR A 0 3.257 -7.936 -13.809 1.00 0.00 H new ATOM 0 H2 THR A 0 4.916 -8.170 -14.087 1.00 0.00 H new ATOM 0 H3 THR A 0 4.387 -7.510 -12.615 1.00 0.00 H new ATOM 0 HA THR A 0 3.880 -6.241 -15.215 1.00 0.00 H new ATOM 0 HB THR A 0 3.541 -4.211 -13.884 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.358 -4.664 -11.449 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.470 -4.844 -12.664 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.572 -5.640 -14.252 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.942 -6.556 -12.772 1.00 0.00 H new ATOM 194 N MET A 1 6.079 -5.033 -15.405 1.00 0.00 N ATOM 195 CA MET A 1 7.401 -4.452 -15.650 1.00 0.00 C ATOM 196 C MET A 1 7.390 -2.937 -15.359 1.00 0.00 C ATOM 197 O MET A 1 6.494 -2.209 -15.816 1.00 0.00 O ATOM 198 CB MET A 1 7.857 -4.753 -17.107 1.00 0.00 C ATOM 199 CG MET A 1 6.974 -4.208 -18.229 1.00 0.00 C ATOM 200 SD MET A 1 7.627 -4.641 -19.853 1.00 0.00 S ATOM 201 CE MET A 1 6.456 -3.833 -20.931 1.00 0.00 C ATOM 0 H MET A 1 5.410 -4.840 -16.150 1.00 0.00 H new ATOM 0 HA MET A 1 8.121 -4.910 -14.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.862 -4.351 -17.239 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.928 -5.834 -17.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.964 -4.605 -18.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.901 -3.124 -18.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.935 -3.607 -21.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.603 -4.491 -21.100 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.114 -2.907 -20.468 1.00 0.00 H new ATOM 211 N GLU A 2 8.368 -2.482 -14.556 1.00 0.00 N ATOM 212 CA GLU A 2 8.581 -1.055 -14.261 1.00 0.00 C ATOM 213 C GLU A 2 9.462 -0.447 -15.358 1.00 0.00 C ATOM 214 O GLU A 2 10.453 -1.055 -15.764 1.00 0.00 O ATOM 215 CB GLU A 2 9.254 -0.865 -12.879 1.00 0.00 C ATOM 216 CG GLU A 2 9.485 0.614 -12.495 1.00 0.00 C ATOM 217 CD GLU A 2 10.100 0.804 -11.101 1.00 0.00 C ATOM 218 OE1 GLU A 2 9.334 0.889 -10.119 1.00 0.00 O ATOM 219 OE2 GLU A 2 11.346 0.851 -10.975 1.00 0.00 O ATOM 0 H GLU A 2 9.036 -3.097 -14.091 1.00 0.00 H new ATOM 0 HA GLU A 2 7.614 -0.552 -14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.634 -1.336 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.212 -1.385 -12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.139 1.074 -13.236 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.533 1.143 -12.537 1.00 0.00 H new ATOM 226 N LEU A 3 9.104 0.754 -15.833 1.00 0.00 N ATOM 227 CA LEU A 3 9.770 1.401 -16.978 1.00 0.00 C ATOM 228 C LEU A 3 10.112 2.860 -16.636 1.00 0.00 C ATOM 229 O LEU A 3 9.267 3.584 -16.109 1.00 0.00 O ATOM 230 CB LEU A 3 8.829 1.345 -18.204 1.00 0.00 C ATOM 231 CG LEU A 3 8.296 -0.071 -18.583 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.098 0.025 -19.533 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.415 -0.952 -19.170 1.00 0.00 C ATOM 0 H LEU A 3 8.344 1.307 -15.436 1.00 0.00 H new ATOM 0 HA LEU A 3 10.698 0.876 -17.207 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.975 1.995 -18.014 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.358 1.756 -19.064 1.00 0.00 H new ATOM 0 HG LEU A 3 7.951 -0.552 -17.668 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.748 -0.977 -19.780 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.295 0.581 -19.050 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.398 0.539 -20.446 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.011 -1.932 -19.424 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.816 -0.481 -20.068 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.211 -1.067 -18.434 1.00 0.00 H new ATOM 245 N GLU A 4 11.342 3.281 -16.960 1.00 0.00 N ATOM 246 CA GLU A 4 11.785 4.669 -16.802 1.00 0.00 C ATOM 247 C GLU A 4 11.450 5.437 -18.087 1.00 0.00 C ATOM 248 O GLU A 4 12.156 5.334 -19.091 1.00 0.00 O ATOM 249 CB GLU A 4 13.309 4.729 -16.515 1.00 0.00 C ATOM 250 CG GLU A 4 13.858 6.149 -16.265 1.00 0.00 C ATOM 251 CD GLU A 4 15.388 6.182 -16.088 1.00 0.00 C ATOM 252 OE1 GLU A 4 15.877 5.794 -15.011 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.109 6.599 -17.020 1.00 0.00 O ATOM 0 H GLU A 4 12.059 2.664 -17.341 1.00 0.00 H new ATOM 0 HA GLU A 4 11.271 5.123 -15.955 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.526 4.111 -15.644 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.842 4.290 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.581 6.792 -17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.386 6.563 -15.374 1.00 0.00 H new ATOM 260 N LEU A 5 10.351 6.199 -18.056 1.00 0.00 N ATOM 261 CA LEU A 5 9.876 6.928 -19.234 1.00 0.00 C ATOM 262 C LEU A 5 10.440 8.340 -19.199 1.00 0.00 C ATOM 263 O LEU A 5 9.989 9.188 -18.432 1.00 0.00 O ATOM 264 CB LEU A 5 8.337 6.945 -19.264 1.00 0.00 C ATOM 265 CG LEU A 5 7.649 5.565 -19.108 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.129 5.728 -19.150 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.152 4.547 -20.161 1.00 0.00 C ATOM 0 H LEU A 5 9.774 6.326 -17.225 1.00 0.00 H new ATOM 0 HA LEU A 5 10.218 6.432 -20.142 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.983 7.599 -18.467 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.015 7.387 -20.207 1.00 0.00 H new ATOM 0 HG LEU A 5 7.920 5.156 -18.135 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.655 4.753 -19.040 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.810 6.380 -18.337 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.836 6.168 -20.104 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.645 3.593 -20.016 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.939 4.923 -21.162 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.227 4.407 -20.047 1.00 0.00 H new ATOM 279 N ARG A 6 11.446 8.560 -20.040 1.00 0.00 N ATOM 280 CA ARG A 6 12.177 9.814 -20.108 1.00 0.00 C ATOM 281 C ARG A 6 11.504 10.720 -21.139 1.00 0.00 C ATOM 282 O ARG A 6 11.441 10.384 -22.309 1.00 0.00 O ATOM 283 CB ARG A 6 13.655 9.519 -20.497 1.00 0.00 C ATOM 284 CG ARG A 6 14.342 8.448 -19.618 1.00 0.00 C ATOM 285 CD ARG A 6 15.781 8.137 -20.055 1.00 0.00 C ATOM 286 NE ARG A 6 16.664 9.319 -19.967 1.00 0.00 N ATOM 287 CZ ARG A 6 18.003 9.285 -20.054 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.645 8.133 -20.199 1.00 0.00 N ATOM 289 NH2 ARG A 6 18.698 10.405 -19.978 1.00 0.00 N ATOM 0 H ARG A 6 11.779 7.859 -20.702 1.00 0.00 H new ATOM 0 HA ARG A 6 12.170 10.320 -19.143 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.687 9.194 -21.537 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.227 10.445 -20.435 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.349 8.788 -18.582 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.754 7.531 -19.648 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.183 7.339 -19.431 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.775 7.767 -21.080 1.00 0.00 H new ATOM 0 HE ARG A 6 16.223 10.228 -19.830 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.121 7.259 -20.246 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.663 8.121 -20.264 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.217 11.296 -19.853 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.716 10.379 -20.044 1.00 0.00 H new ATOM 303 N PHE A 7 10.987 11.858 -20.677 1.00 0.00 N ATOM 304 CA PHE A 7 10.309 12.856 -21.520 1.00 0.00 C ATOM 305 C PHE A 7 11.243 14.035 -21.751 1.00 0.00 C ATOM 306 O PHE A 7 11.963 14.452 -20.838 1.00 0.00 O ATOM 307 CB PHE A 7 8.991 13.322 -20.851 1.00 0.00 C ATOM 308 CG PHE A 7 7.954 12.219 -20.719 1.00 0.00 C ATOM 309 CD1 PHE A 7 7.940 11.379 -19.614 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.004 12.009 -21.714 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.014 10.364 -19.518 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.081 10.991 -21.616 1.00 0.00 C ATOM 313 CZ PHE A 7 6.087 10.167 -20.515 1.00 0.00 C ATOM 0 H PHE A 7 11.025 12.121 -19.692 1.00 0.00 H new ATOM 0 HA PHE A 7 10.057 12.408 -22.481 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.216 13.718 -19.861 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.567 14.140 -21.433 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.661 11.523 -18.823 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.990 12.656 -22.579 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.016 9.717 -18.653 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.355 10.841 -22.401 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.366 9.367 -20.433 1.00 0.00 H new ATOM 323 N PHE A 8 11.259 14.548 -22.991 1.00 0.00 N ATOM 324 CA PHE A 8 12.078 15.708 -23.384 1.00 0.00 C ATOM 325 C PHE A 8 11.191 16.719 -24.136 1.00 0.00 C ATOM 326 O PHE A 8 10.101 16.361 -24.600 1.00 0.00 O ATOM 327 CB PHE A 8 13.301 15.252 -24.225 1.00 0.00 C ATOM 328 CG PHE A 8 14.169 14.218 -23.500 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.090 14.608 -22.526 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.021 12.853 -23.749 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.828 13.665 -21.829 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.767 11.916 -23.063 1.00 0.00 C ATOM 333 CZ PHE A 8 15.666 12.319 -22.097 1.00 0.00 C ATOM 0 H PHE A 8 10.701 14.168 -23.755 1.00 0.00 H new ATOM 0 HA PHE A 8 12.477 16.201 -22.498 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.951 14.829 -25.167 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.910 16.121 -24.473 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.229 15.658 -22.313 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.310 12.524 -24.492 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.532 13.983 -21.074 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.647 10.865 -23.283 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.241 11.585 -21.552 1.00 0.00 H new ATOM 343 N ALA A 9 11.634 17.994 -24.157 1.00 0.00 N ATOM 344 CA ALA A 9 10.970 19.098 -24.882 1.00 0.00 C ATOM 345 C ALA A 9 9.505 19.352 -24.381 1.00 0.00 C ATOM 346 O ALA A 9 9.285 19.427 -23.164 1.00 0.00 O ATOM 347 CB ALA A 9 11.067 18.846 -26.390 1.00 0.00 C ATOM 0 H ALA A 9 12.476 18.290 -23.663 1.00 0.00 H new ATOM 0 HA ALA A 9 11.493 20.029 -24.665 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.578 19.659 -26.927 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.115 18.796 -26.684 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.577 17.904 -26.634 1.00 0.00 H new ATOM 353 N THR A 10 8.518 19.486 -25.317 1.00 0.00 N ATOM 354 CA THR A 10 7.088 19.725 -24.993 1.00 0.00 C ATOM 355 C THR A 10 6.506 18.608 -24.095 1.00 0.00 C ATOM 356 O THR A 10 5.793 18.896 -23.141 1.00 0.00 O ATOM 357 CB THR A 10 6.225 19.838 -26.299 1.00 0.00 C ATOM 358 OG1 THR A 10 6.818 20.794 -27.194 1.00 0.00 O ATOM 359 CG2 THR A 10 4.762 20.251 -26.012 1.00 0.00 C ATOM 0 H THR A 10 8.699 19.430 -26.319 1.00 0.00 H new ATOM 0 HA THR A 10 7.046 20.668 -24.447 1.00 0.00 H new ATOM 0 HB THR A 10 6.206 18.848 -26.754 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.277 20.860 -28.008 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.211 20.314 -26.950 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.294 19.508 -25.366 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.748 21.222 -25.517 1.00 0.00 H new ATOM 367 N PHE A 11 6.847 17.340 -24.403 1.00 0.00 N ATOM 368 CA PHE A 11 6.374 16.165 -23.622 1.00 0.00 C ATOM 369 C PHE A 11 6.888 16.218 -22.164 1.00 0.00 C ATOM 370 O PHE A 11 6.182 15.798 -21.242 1.00 0.00 O ATOM 371 CB PHE A 11 6.820 14.832 -24.295 1.00 0.00 C ATOM 372 CG PHE A 11 6.075 14.422 -25.578 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.099 15.231 -26.170 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.351 13.191 -26.179 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.432 14.817 -27.310 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.685 12.786 -27.321 1.00 0.00 C ATOM 377 CZ PHE A 11 4.726 13.596 -27.885 1.00 0.00 C ATOM 0 H PHE A 11 7.450 17.097 -25.189 1.00 0.00 H new ATOM 0 HA PHE A 11 5.285 16.202 -23.606 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.882 14.907 -24.528 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.709 14.029 -23.566 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.863 16.190 -25.732 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.098 12.544 -25.744 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.678 15.452 -27.752 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.918 11.832 -27.771 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.204 13.278 -28.775 1.00 0.00 H new ATOM 387 N ARG A 12 8.114 16.750 -21.981 1.00 0.00 N ATOM 388 CA ARG A 12 8.720 16.939 -20.642 1.00 0.00 C ATOM 389 C ARG A 12 7.929 17.979 -19.850 1.00 0.00 C ATOM 390 O ARG A 12 7.760 17.853 -18.638 1.00 0.00 O ATOM 391 CB ARG A 12 10.211 17.378 -20.756 1.00 0.00 C ATOM 392 CG ARG A 12 11.072 17.270 -19.455 1.00 0.00 C ATOM 393 CD ARG A 12 11.406 18.609 -18.763 1.00 0.00 C ATOM 394 NE ARG A 12 10.226 19.259 -18.170 1.00 0.00 N ATOM 395 CZ ARG A 12 10.043 20.581 -18.049 1.00 0.00 C ATOM 396 NH1 ARG A 12 10.926 21.444 -18.540 1.00 0.00 N ATOM 397 NH2 ARG A 12 8.957 21.035 -17.450 1.00 0.00 N ATOM 0 H ARG A 12 8.710 17.059 -22.749 1.00 0.00 H new ATOM 0 HA ARG A 12 8.686 15.984 -20.118 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.686 16.775 -21.530 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.237 18.413 -21.097 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.544 16.635 -18.743 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.006 16.765 -19.700 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.148 18.434 -17.984 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.859 19.284 -19.489 1.00 0.00 H new ATOM 0 HE ARG A 12 9.484 18.651 -17.822 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.760 21.104 -19.019 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.770 22.447 -18.438 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.265 20.381 -17.084 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.810 22.040 -17.354 1.00 0.00 H new ATOM 411 N GLU A 13 7.480 19.019 -20.564 1.00 0.00 N ATOM 412 CA GLU A 13 6.703 20.126 -19.990 1.00 0.00 C ATOM 413 C GLU A 13 5.324 19.639 -19.505 1.00 0.00 C ATOM 414 O GLU A 13 4.878 19.979 -18.400 1.00 0.00 O ATOM 415 CB GLU A 13 6.548 21.246 -21.053 1.00 0.00 C ATOM 416 CG GLU A 13 5.928 22.558 -20.552 1.00 0.00 C ATOM 417 CD GLU A 13 6.777 23.250 -19.471 1.00 0.00 C ATOM 418 OE1 GLU A 13 7.774 23.916 -19.818 1.00 0.00 O ATOM 419 OE2 GLU A 13 6.467 23.113 -18.268 1.00 0.00 O ATOM 0 H GLU A 13 7.647 19.117 -21.565 1.00 0.00 H new ATOM 0 HA GLU A 13 7.233 20.522 -19.124 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.531 21.466 -21.469 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.935 20.864 -21.869 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.799 23.237 -21.395 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.935 22.354 -20.151 1.00 0.00 H new ATOM 426 N VAL A 14 4.689 18.814 -20.349 1.00 0.00 N ATOM 427 CA VAL A 14 3.378 18.196 -20.076 1.00 0.00 C ATOM 428 C VAL A 14 3.397 17.370 -18.774 1.00 0.00 C ATOM 429 O VAL A 14 2.540 17.536 -17.896 1.00 0.00 O ATOM 430 CB VAL A 14 2.954 17.276 -21.276 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.694 16.459 -20.936 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.764 18.098 -22.574 1.00 0.00 C ATOM 0 H VAL A 14 5.075 18.551 -21.256 1.00 0.00 H new ATOM 0 HA VAL A 14 2.654 19.002 -19.956 1.00 0.00 H new ATOM 0 HB VAL A 14 3.764 16.568 -21.453 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.426 15.832 -21.787 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.892 15.829 -20.069 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.871 17.137 -20.711 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.471 17.433 -23.386 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.987 18.847 -22.420 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.700 18.594 -22.831 1.00 0.00 H new ATOM 442 N VAL A 15 4.387 16.480 -18.685 1.00 0.00 N ATOM 443 CA VAL A 15 4.574 15.591 -17.531 1.00 0.00 C ATOM 444 C VAL A 15 5.167 16.372 -16.339 1.00 0.00 C ATOM 445 O VAL A 15 4.925 16.035 -15.174 1.00 0.00 O ATOM 446 CB VAL A 15 5.474 14.363 -17.944 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.703 13.386 -16.769 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.851 13.631 -19.162 1.00 0.00 C ATOM 0 H VAL A 15 5.088 16.353 -19.415 1.00 0.00 H new ATOM 0 HA VAL A 15 3.608 15.202 -17.210 1.00 0.00 H new ATOM 0 HB VAL A 15 6.453 14.750 -18.226 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.328 12.557 -17.102 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.199 13.910 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.744 13.001 -16.424 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.480 12.785 -19.439 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.855 13.273 -18.901 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.779 14.320 -20.003 1.00 0.00 H new ATOM 458 N GLY A 16 5.898 17.451 -16.663 1.00 0.00 N ATOM 459 CA GLY A 16 6.619 18.260 -15.673 1.00 0.00 C ATOM 460 C GLY A 16 7.838 17.549 -15.090 1.00 0.00 C ATOM 461 O GLY A 16 8.429 18.017 -14.114 1.00 0.00 O ATOM 0 H GLY A 16 6.004 17.785 -17.621 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.938 19.193 -16.138 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.938 18.524 -14.864 1.00 0.00 H new ATOM 465 N GLN A 17 8.223 16.415 -15.712 1.00 0.00 N ATOM 466 CA GLN A 17 9.324 15.553 -15.248 1.00 0.00 C ATOM 467 C GLN A 17 10.136 15.100 -16.474 1.00 0.00 C ATOM 468 O GLN A 17 9.560 14.890 -17.552 1.00 0.00 O ATOM 469 CB GLN A 17 8.791 14.302 -14.474 1.00 0.00 C ATOM 470 CG GLN A 17 7.538 14.534 -13.590 1.00 0.00 C ATOM 471 CD GLN A 17 7.197 13.364 -12.670 1.00 0.00 C ATOM 472 OE1 GLN A 17 8.080 12.651 -12.196 1.00 0.00 O ATOM 473 NE2 GLN A 17 5.915 13.135 -12.439 1.00 0.00 N ATOM 0 H GLN A 17 7.772 16.071 -16.559 1.00 0.00 H new ATOM 0 HA GLN A 17 9.949 16.121 -14.559 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.560 13.522 -15.199 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.593 13.922 -13.841 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.695 15.425 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.683 14.735 -14.236 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.206 13.745 -12.847 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.635 12.348 -11.853 1.00 0.00 H new ATOM 482 N LYS A 18 11.462 14.949 -16.304 1.00 0.00 N ATOM 483 CA LYS A 18 12.377 14.561 -17.400 1.00 0.00 C ATOM 484 C LYS A 18 12.477 13.034 -17.555 1.00 0.00 C ATOM 485 O LYS A 18 12.828 12.544 -18.630 1.00 0.00 O ATOM 486 CB LYS A 18 13.775 15.185 -17.178 1.00 0.00 C ATOM 487 CG LYS A 18 14.516 14.716 -15.903 1.00 0.00 C ATOM 488 CD LYS A 18 15.815 15.509 -15.650 1.00 0.00 C ATOM 489 CE LYS A 18 16.804 15.415 -16.823 1.00 0.00 C ATOM 490 NZ LYS A 18 18.094 16.081 -16.529 1.00 0.00 N ATOM 0 H LYS A 18 11.930 15.091 -15.409 1.00 0.00 H new ATOM 0 HA LYS A 18 11.961 14.949 -18.330 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.397 14.958 -18.044 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.668 16.269 -17.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.855 14.823 -15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.753 13.656 -15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.568 16.555 -15.471 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.294 15.135 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.985 14.366 -17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.358 15.868 -17.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.726 15.990 -17.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.927 17.088 -16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.535 15.633 -15.701 1.00 0.00 H new ATOM 504 N SER A 19 12.207 12.299 -16.463 1.00 0.00 N ATOM 505 CA SER A 19 12.138 10.827 -16.452 1.00 0.00 C ATOM 506 C SER A 19 11.263 10.392 -15.266 1.00 0.00 C ATOM 507 O SER A 19 11.548 10.759 -14.121 1.00 0.00 O ATOM 508 CB SER A 19 13.540 10.167 -16.305 1.00 0.00 C ATOM 509 OG SER A 19 14.527 10.800 -17.108 1.00 0.00 O ATOM 0 H SER A 19 12.028 12.716 -15.550 1.00 0.00 H new ATOM 0 HA SER A 19 11.719 10.503 -17.405 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.848 10.205 -15.260 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.473 9.114 -16.580 1.00 0.00 H new ATOM 0 HG SER A 19 15.389 10.352 -16.981 1.00 0.00 H new ATOM 515 N ILE A 20 10.205 9.633 -15.542 1.00 0.00 N ATOM 516 CA ILE A 20 9.326 9.051 -14.512 1.00 0.00 C ATOM 517 C ILE A 20 9.571 7.538 -14.430 1.00 0.00 C ATOM 518 O ILE A 20 10.318 6.983 -15.240 1.00 0.00 O ATOM 519 CB ILE A 20 7.813 9.334 -14.842 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.347 8.567 -16.112 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.577 10.840 -15.033 1.00 0.00 C ATOM 522 CD1 ILE A 20 5.917 8.875 -16.550 1.00 0.00 C ATOM 0 H ILE A 20 9.925 9.398 -16.494 1.00 0.00 H new ATOM 0 HA ILE A 20 9.556 9.513 -13.552 1.00 0.00 H new ATOM 0 HB ILE A 20 7.225 8.978 -13.996 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.024 8.804 -16.933 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.434 7.496 -15.927 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.526 11.018 -15.260 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.845 11.369 -14.118 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.193 11.203 -15.856 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.677 8.297 -17.442 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.226 8.610 -15.749 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.825 9.938 -16.771 1.00 0.00 H new ATOM 534 N TYR A 21 8.948 6.885 -13.448 1.00 0.00 N ATOM 535 CA TYR A 21 8.853 5.423 -13.398 1.00 0.00 C ATOM 536 C TYR A 21 7.375 5.033 -13.422 1.00 0.00 C ATOM 537 O TYR A 21 6.628 5.314 -12.479 1.00 0.00 O ATOM 538 CB TYR A 21 9.546 4.848 -12.136 1.00 0.00 C ATOM 539 CG TYR A 21 11.070 5.016 -12.125 1.00 0.00 C ATOM 540 CD1 TYR A 21 11.887 4.201 -12.917 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.697 5.971 -11.319 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.259 4.333 -12.900 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.074 6.099 -11.301 1.00 0.00 C ATOM 544 CZ TYR A 21 13.849 5.280 -12.093 1.00 0.00 C ATOM 545 OH TYR A 21 15.220 5.401 -12.080 1.00 0.00 O ATOM 0 H TYR A 21 8.494 7.354 -12.664 1.00 0.00 H new ATOM 0 HA TYR A 21 9.368 5.003 -14.262 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.131 5.335 -11.254 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.308 3.787 -12.056 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.434 3.455 -13.553 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.096 6.620 -10.700 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.871 3.694 -13.519 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.541 6.839 -10.668 1.00 0.00 H new ATOM 0 HH TYR A 21 15.547 5.517 -12.997 1.00 0.00 H new ATOM 555 N TRP A 22 6.970 4.411 -14.526 1.00 0.00 N ATOM 556 CA TRP A 22 5.654 3.784 -14.694 1.00 0.00 C ATOM 557 C TRP A 22 5.776 2.294 -14.370 1.00 0.00 C ATOM 558 O TRP A 22 6.872 1.794 -14.093 1.00 0.00 O ATOM 559 CB TRP A 22 5.146 3.984 -16.158 1.00 0.00 C ATOM 560 CG TRP A 22 4.030 4.987 -16.327 1.00 0.00 C ATOM 561 CD1 TRP A 22 3.912 6.219 -15.754 1.00 0.00 C ATOM 562 CD2 TRP A 22 2.886 4.829 -17.163 1.00 0.00 C ATOM 563 NE1 TRP A 22 2.768 6.835 -16.193 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.118 5.994 -17.051 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.433 3.799 -17.983 1.00 0.00 C ATOM 566 CZ2 TRP A 22 0.938 6.170 -17.750 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.255 3.975 -18.671 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.517 5.152 -18.539 1.00 0.00 C ATOM 0 H TRP A 22 7.561 4.325 -15.353 1.00 0.00 H new ATOM 0 HA TRP A 22 4.934 4.247 -14.019 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.988 4.295 -16.777 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.807 3.021 -16.541 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.617 6.647 -15.056 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.454 7.767 -15.923 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.995 2.881 -18.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.372 7.086 -17.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.896 3.192 -19.322 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.413 5.254 -19.079 1.00 0.00 H new ATOM 579 N ARG A 23 4.639 1.598 -14.422 1.00 0.00 N ATOM 580 CA ARG A 23 4.583 0.151 -14.258 1.00 0.00 C ATOM 581 C ARG A 23 3.307 -0.380 -14.916 1.00 0.00 C ATOM 582 O ARG A 23 2.194 -0.172 -14.423 1.00 0.00 O ATOM 583 CB ARG A 23 4.663 -0.219 -12.759 1.00 0.00 C ATOM 584 CG ARG A 23 4.767 -1.729 -12.489 1.00 0.00 C ATOM 585 CD ARG A 23 5.039 -2.055 -11.014 1.00 0.00 C ATOM 586 NE ARG A 23 6.383 -1.621 -10.589 1.00 0.00 N ATOM 587 CZ ARG A 23 7.239 -2.353 -9.860 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.906 -3.573 -9.440 1.00 0.00 N ATOM 589 NH2 ARG A 23 8.422 -1.856 -9.545 1.00 0.00 N ATOM 0 H ARG A 23 3.728 2.028 -14.580 1.00 0.00 H new ATOM 0 HA ARG A 23 5.437 -0.316 -14.749 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.527 0.278 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.780 0.170 -12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.840 -2.213 -12.798 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.565 -2.148 -13.102 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.288 -1.569 -10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.938 -3.129 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 23 6.686 -0.689 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.991 -3.960 -9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.566 -4.120 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.681 -0.920 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.076 -2.409 -8.991 1.00 0.00 H new ATOM 603 N VAL A 24 3.506 -1.033 -16.060 1.00 0.00 N ATOM 604 CA VAL A 24 2.470 -1.740 -16.818 1.00 0.00 C ATOM 605 C VAL A 24 2.808 -3.230 -16.759 1.00 0.00 C ATOM 606 O VAL A 24 3.897 -3.594 -16.311 1.00 0.00 O ATOM 607 CB VAL A 24 2.417 -1.254 -18.322 1.00 0.00 C ATOM 608 CG1 VAL A 24 1.998 0.233 -18.416 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.769 -1.508 -19.047 1.00 0.00 C ATOM 0 H VAL A 24 4.424 -1.087 -16.501 1.00 0.00 H new ATOM 0 HA VAL A 24 1.490 -1.538 -16.385 1.00 0.00 H new ATOM 0 HB VAL A 24 1.656 -1.844 -18.833 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.971 0.538 -19.462 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.010 0.361 -17.975 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.718 0.849 -17.877 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.699 -1.163 -20.079 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.564 -0.965 -18.536 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.993 -2.575 -19.036 1.00 0.00 H new ATOM 619 N ASP A 25 1.885 -4.089 -17.186 1.00 0.00 N ATOM 620 CA ASP A 25 2.124 -5.542 -17.207 1.00 0.00 C ATOM 621 C ASP A 25 3.129 -5.905 -18.330 1.00 0.00 C ATOM 622 O ASP A 25 3.270 -5.165 -19.305 1.00 0.00 O ATOM 623 CB ASP A 25 0.792 -6.309 -17.336 1.00 0.00 C ATOM 624 CG ASP A 25 0.965 -7.835 -17.262 1.00 0.00 C ATOM 625 OD1 ASP A 25 1.081 -8.371 -16.141 1.00 0.00 O ATOM 626 OD2 ASP A 25 1.008 -8.504 -18.321 1.00 0.00 O ATOM 0 H ASP A 25 0.963 -3.811 -17.523 1.00 0.00 H new ATOM 0 HA ASP A 25 2.574 -5.846 -16.262 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.116 -5.987 -16.544 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.320 -6.048 -18.283 1.00 0.00 H new ATOM 631 N ASP A 26 3.830 -7.046 -18.164 1.00 0.00 N ATOM 632 CA ASP A 26 4.914 -7.486 -19.081 1.00 0.00 C ATOM 633 C ASP A 26 4.394 -7.829 -20.502 1.00 0.00 C ATOM 634 O ASP A 26 5.176 -7.897 -21.459 1.00 0.00 O ATOM 635 CB ASP A 26 5.654 -8.706 -18.474 1.00 0.00 C ATOM 636 CG ASP A 26 6.892 -9.139 -19.281 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.856 -8.357 -19.354 1.00 0.00 O ATOM 638 OD2 ASP A 26 6.908 -10.258 -19.838 1.00 0.00 O ATOM 0 H ASP A 26 3.664 -7.691 -17.392 1.00 0.00 H new ATOM 0 HA ASP A 26 5.604 -6.649 -19.190 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.960 -8.465 -17.456 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.961 -9.545 -18.409 1.00 0.00 H new ATOM 643 N ASP A 27 3.064 -7.985 -20.638 1.00 0.00 N ATOM 644 CA ASP A 27 2.417 -8.326 -21.925 1.00 0.00 C ATOM 645 C ASP A 27 2.277 -7.056 -22.797 1.00 0.00 C ATOM 646 O ASP A 27 2.098 -7.144 -24.019 1.00 0.00 O ATOM 647 CB ASP A 27 1.021 -8.977 -21.670 1.00 0.00 C ATOM 648 CG ASP A 27 0.349 -9.516 -22.948 1.00 0.00 C ATOM 649 OD1 ASP A 27 0.812 -10.555 -23.473 1.00 0.00 O ATOM 650 OD2 ASP A 27 -0.627 -8.903 -23.438 1.00 0.00 O ATOM 0 H ASP A 27 2.408 -7.879 -19.864 1.00 0.00 H new ATOM 0 HA ASP A 27 3.038 -9.046 -22.457 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.135 -9.794 -20.957 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.365 -8.240 -21.208 1.00 0.00 H new ATOM 655 N ALA A 28 2.408 -5.881 -22.154 1.00 0.00 N ATOM 656 CA ALA A 28 2.420 -4.576 -22.833 1.00 0.00 C ATOM 657 C ALA A 28 3.755 -4.358 -23.577 1.00 0.00 C ATOM 658 O ALA A 28 4.745 -5.062 -23.342 1.00 0.00 O ATOM 659 CB ALA A 28 2.167 -3.453 -21.807 1.00 0.00 C ATOM 0 H ALA A 28 2.509 -5.812 -21.141 1.00 0.00 H new ATOM 0 HA ALA A 28 1.622 -4.556 -23.576 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.177 -2.488 -22.314 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.197 -3.604 -21.334 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.948 -3.472 -21.047 1.00 0.00 H new ATOM 665 N THR A 29 3.758 -3.381 -24.491 1.00 0.00 N ATOM 666 CA THR A 29 4.950 -2.953 -25.260 1.00 0.00 C ATOM 667 C THR A 29 5.037 -1.411 -25.242 1.00 0.00 C ATOM 668 O THR A 29 4.223 -0.759 -24.575 1.00 0.00 O ATOM 669 CB THR A 29 4.896 -3.479 -26.738 1.00 0.00 C ATOM 670 OG1 THR A 29 3.684 -3.048 -27.357 1.00 0.00 O ATOM 671 CG2 THR A 29 4.971 -5.007 -26.820 1.00 0.00 C ATOM 0 H THR A 29 2.920 -2.850 -24.727 1.00 0.00 H new ATOM 0 HA THR A 29 5.839 -3.378 -24.793 1.00 0.00 H new ATOM 0 HB THR A 29 5.765 -3.070 -27.254 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.890 -2.404 -28.067 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.930 -5.318 -27.864 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.906 -5.350 -26.376 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.131 -5.442 -26.278 1.00 0.00 H new ATOM 679 N VAL A 30 6.022 -0.845 -25.984 1.00 0.00 N ATOM 680 CA VAL A 30 6.269 0.628 -26.064 1.00 0.00 C ATOM 681 C VAL A 30 4.985 1.388 -26.459 1.00 0.00 C ATOM 682 O VAL A 30 4.677 2.448 -25.901 1.00 0.00 O ATOM 683 CB VAL A 30 7.442 0.957 -27.079 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.686 2.488 -27.226 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.751 0.228 -26.667 1.00 0.00 C ATOM 0 H VAL A 30 6.672 -1.393 -26.547 1.00 0.00 H new ATOM 0 HA VAL A 30 6.572 0.963 -25.072 1.00 0.00 H new ATOM 0 HB VAL A 30 7.130 0.588 -28.056 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.499 2.661 -27.932 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.779 2.967 -27.593 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.952 2.909 -26.256 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.541 0.469 -27.378 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.049 0.552 -25.670 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.582 -0.849 -26.664 1.00 0.00 H new ATOM 695 N GLY A 31 4.221 0.768 -27.362 1.00 0.00 N ATOM 696 CA GLY A 31 2.990 1.329 -27.888 1.00 0.00 C ATOM 697 C GLY A 31 1.859 1.380 -26.868 1.00 0.00 C ATOM 698 O GLY A 31 1.134 2.368 -26.804 1.00 0.00 O ATOM 0 H GLY A 31 4.449 -0.148 -27.748 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.186 2.338 -28.251 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.668 0.738 -28.746 1.00 0.00 H new ATOM 702 N ASP A 32 1.703 0.293 -26.079 1.00 0.00 N ATOM 703 CA ASP A 32 0.720 0.227 -24.965 1.00 0.00 C ATOM 704 C ASP A 32 1.006 1.308 -23.913 1.00 0.00 C ATOM 705 O ASP A 32 0.079 1.874 -23.320 1.00 0.00 O ATOM 706 CB ASP A 32 0.731 -1.158 -24.270 1.00 0.00 C ATOM 707 CG ASP A 32 0.281 -2.304 -25.183 1.00 0.00 C ATOM 708 OD1 ASP A 32 1.124 -2.862 -25.906 1.00 0.00 O ATOM 709 OD2 ASP A 32 -0.919 -2.641 -25.193 1.00 0.00 O ATOM 0 H ASP A 32 2.250 -0.561 -26.192 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.262 0.394 -25.407 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.738 -1.366 -23.908 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.080 -1.123 -23.397 1.00 0.00 H new ATOM 714 N VAL A 33 2.304 1.570 -23.690 1.00 0.00 N ATOM 715 CA VAL A 33 2.774 2.585 -22.737 1.00 0.00 C ATOM 716 C VAL A 33 2.304 3.984 -23.165 1.00 0.00 C ATOM 717 O VAL A 33 1.503 4.599 -22.455 1.00 0.00 O ATOM 718 CB VAL A 33 4.343 2.522 -22.604 1.00 0.00 C ATOM 719 CG1 VAL A 33 4.905 3.681 -21.758 1.00 0.00 C ATOM 720 CG2 VAL A 33 4.778 1.157 -22.029 1.00 0.00 C ATOM 0 H VAL A 33 3.060 1.080 -24.169 1.00 0.00 H new ATOM 0 HA VAL A 33 2.344 2.376 -21.757 1.00 0.00 H new ATOM 0 HB VAL A 33 4.760 2.632 -23.605 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.990 3.593 -21.696 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.644 4.631 -22.224 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.480 3.639 -20.755 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.864 1.128 -21.943 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.332 1.018 -21.044 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.445 0.360 -22.694 1.00 0.00 H new ATOM 730 N LEU A 34 2.722 4.434 -24.364 1.00 0.00 N ATOM 731 CA LEU A 34 2.366 5.775 -24.877 1.00 0.00 C ATOM 732 C LEU A 34 0.836 5.896 -25.122 1.00 0.00 C ATOM 733 O LEU A 34 0.256 6.970 -24.949 1.00 0.00 O ATOM 734 CB LEU A 34 3.264 6.183 -26.102 1.00 0.00 C ATOM 735 CG LEU A 34 3.503 5.142 -27.249 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.333 5.069 -28.234 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.839 5.417 -27.989 1.00 0.00 C ATOM 0 H LEU A 34 3.307 3.889 -24.997 1.00 0.00 H new ATOM 0 HA LEU A 34 2.591 6.516 -24.110 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.823 7.073 -26.552 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.240 6.473 -25.712 1.00 0.00 H new ATOM 0 HG LEU A 34 3.572 4.165 -26.771 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.553 4.332 -29.007 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.427 4.777 -27.702 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.184 6.045 -28.695 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.976 4.678 -28.779 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.814 6.415 -28.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.666 5.351 -27.283 1.00 0.00 H new ATOM 749 N ARG A 35 0.189 4.768 -25.466 1.00 0.00 N ATOM 750 CA ARG A 35 -1.287 4.671 -25.542 1.00 0.00 C ATOM 751 C ARG A 35 -1.954 5.107 -24.220 1.00 0.00 C ATOM 752 O ARG A 35 -2.905 5.891 -24.210 1.00 0.00 O ATOM 753 CB ARG A 35 -1.706 3.214 -25.940 1.00 0.00 C ATOM 754 CG ARG A 35 -3.208 2.828 -25.773 1.00 0.00 C ATOM 755 CD ARG A 35 -4.165 3.883 -26.343 1.00 0.00 C ATOM 756 NE ARG A 35 -5.583 3.530 -26.182 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.581 4.414 -26.007 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.336 5.721 -25.924 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.824 3.979 -25.904 1.00 0.00 N ATOM 0 H ARG A 35 0.669 3.899 -25.699 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.637 5.357 -26.313 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.432 3.058 -26.983 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.112 2.519 -25.347 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.390 1.875 -26.269 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.425 2.683 -24.715 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.977 4.837 -25.851 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.951 4.023 -27.403 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.828 2.540 -26.205 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.379 6.066 -25.993 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.106 6.377 -25.791 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.021 2.980 -25.957 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.587 4.643 -25.771 1.00 0.00 H new ATOM 773 N SER A 36 -1.464 4.565 -23.127 1.00 0.00 N ATOM 774 CA SER A 36 -2.003 4.838 -21.801 1.00 0.00 C ATOM 775 C SER A 36 -1.571 6.243 -21.280 1.00 0.00 C ATOM 776 O SER A 36 -2.293 6.858 -20.486 1.00 0.00 O ATOM 777 CB SER A 36 -1.604 3.702 -20.863 1.00 0.00 C ATOM 778 OG SER A 36 -2.040 2.446 -21.362 1.00 0.00 O ATOM 0 H SER A 36 -0.676 3.918 -23.127 1.00 0.00 H new ATOM 0 HA SER A 36 -3.091 4.875 -21.847 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.521 3.691 -20.741 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.034 3.873 -19.876 1.00 0.00 H new ATOM 0 HG SER A 36 -1.411 2.128 -22.043 1.00 0.00 H new ATOM 784 N LEU A 37 -0.364 6.709 -21.687 1.00 0.00 N ATOM 785 CA LEU A 37 0.171 8.056 -21.314 1.00 0.00 C ATOM 786 C LEU A 37 -0.799 9.199 -21.690 1.00 0.00 C ATOM 787 O LEU A 37 -1.035 10.090 -20.877 1.00 0.00 O ATOM 788 CB LEU A 37 1.588 8.322 -21.943 1.00 0.00 C ATOM 789 CG LEU A 37 2.831 8.087 -21.027 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.765 8.942 -19.742 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.021 6.611 -20.707 1.00 0.00 C ATOM 0 H LEU A 37 0.268 6.170 -22.280 1.00 0.00 H new ATOM 0 HA LEU A 37 0.273 8.046 -20.229 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.692 7.687 -22.823 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.615 9.355 -22.291 1.00 0.00 H new ATOM 0 HG LEU A 37 3.708 8.413 -21.586 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.647 8.750 -19.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.731 9.998 -20.009 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.870 8.682 -19.177 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.895 6.487 -20.068 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.138 6.234 -20.191 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.166 6.054 -21.633 1.00 0.00 H new ATOM 803 N GLU A 38 -1.339 9.179 -22.929 1.00 0.00 N ATOM 804 CA GLU A 38 -2.332 10.196 -23.375 1.00 0.00 C ATOM 805 C GLU A 38 -3.652 10.106 -22.590 1.00 0.00 C ATOM 806 O GLU A 38 -4.373 11.105 -22.453 1.00 0.00 O ATOM 807 CB GLU A 38 -2.630 10.083 -24.893 1.00 0.00 C ATOM 808 CG GLU A 38 -2.977 8.667 -25.395 1.00 0.00 C ATOM 809 CD GLU A 38 -3.572 8.591 -26.818 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.201 9.408 -27.689 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.418 7.699 -27.071 1.00 0.00 O ATOM 0 H GLU A 38 -1.110 8.480 -23.635 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.875 11.165 -23.174 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.459 10.749 -25.134 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.761 10.443 -25.444 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.073 8.059 -25.366 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.686 8.218 -24.700 1.00 0.00 H new ATOM 818 N ALA A 39 -3.952 8.901 -22.075 1.00 0.00 N ATOM 819 CA ALA A 39 -5.183 8.635 -21.322 1.00 0.00 C ATOM 820 C ALA A 39 -5.148 9.317 -19.932 1.00 0.00 C ATOM 821 O ALA A 39 -6.203 9.550 -19.328 1.00 0.00 O ATOM 822 CB ALA A 39 -5.400 7.116 -21.198 1.00 0.00 C ATOM 0 H ALA A 39 -3.346 8.086 -22.171 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.026 9.062 -21.866 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.315 6.924 -20.638 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.484 6.678 -22.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.554 6.669 -20.675 1.00 0.00 H new ATOM 828 N GLU A 40 -3.928 9.623 -19.423 1.00 0.00 N ATOM 829 CA GLU A 40 -3.749 10.366 -18.154 1.00 0.00 C ATOM 830 C GLU A 40 -3.437 11.839 -18.464 1.00 0.00 C ATOM 831 O GLU A 40 -4.160 12.758 -18.053 1.00 0.00 O ATOM 832 CB GLU A 40 -2.595 9.768 -17.294 1.00 0.00 C ATOM 833 CG GLU A 40 -2.554 8.238 -17.236 1.00 0.00 C ATOM 834 CD GLU A 40 -1.698 7.692 -16.072 1.00 0.00 C ATOM 835 OE1 GLU A 40 -0.568 8.196 -15.852 1.00 0.00 O ATOM 836 OE2 GLU A 40 -2.152 6.761 -15.366 1.00 0.00 O ATOM 0 H GLU A 40 -3.051 9.364 -19.876 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.675 10.284 -17.584 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.645 10.127 -17.689 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.683 10.152 -16.278 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.571 7.858 -17.139 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.160 7.856 -18.178 1.00 0.00 H new ATOM 843 N TYR A 41 -2.332 12.035 -19.200 1.00 0.00 N ATOM 844 CA TYR A 41 -1.836 13.349 -19.601 1.00 0.00 C ATOM 845 C TYR A 41 -2.517 13.772 -20.911 1.00 0.00 C ATOM 846 O TYR A 41 -2.181 13.266 -21.989 1.00 0.00 O ATOM 847 CB TYR A 41 -0.294 13.319 -19.779 1.00 0.00 C ATOM 848 CG TYR A 41 0.503 12.908 -18.527 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.653 11.562 -18.170 1.00 0.00 C ATOM 850 CD2 TYR A 41 1.128 13.862 -17.718 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.388 11.189 -17.056 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.867 13.490 -16.608 1.00 0.00 C ATOM 853 CZ TYR A 41 1.995 12.155 -16.281 1.00 0.00 C ATOM 854 OH TYR A 41 2.742 11.788 -15.177 1.00 0.00 O ATOM 0 H TYR A 41 -1.752 11.267 -19.536 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.073 14.073 -18.821 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.051 12.629 -20.587 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.039 14.308 -20.093 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.186 10.799 -18.775 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.032 14.909 -17.964 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.485 10.145 -16.796 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.343 14.244 -15.998 1.00 0.00 H new ATOM 0 HH TYR A 41 3.101 12.590 -14.743 1.00 0.00 H new ATOM 864 N ASP A 42 -3.483 14.692 -20.799 1.00 0.00 N ATOM 865 CA ASP A 42 -4.226 15.238 -21.957 1.00 0.00 C ATOM 866 C ASP A 42 -3.328 16.147 -22.822 1.00 0.00 C ATOM 867 O ASP A 42 -3.646 16.423 -23.983 1.00 0.00 O ATOM 868 CB ASP A 42 -5.478 16.009 -21.478 1.00 0.00 C ATOM 869 CG ASP A 42 -6.402 15.146 -20.600 1.00 0.00 C ATOM 870 OD1 ASP A 42 -7.192 14.343 -21.145 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.328 15.251 -19.356 1.00 0.00 O ATOM 0 H ASP A 42 -3.777 15.084 -19.904 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.546 14.400 -22.577 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.166 16.889 -20.916 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.035 16.366 -22.345 1.00 0.00 H new ATOM 876 N GLY A 43 -2.197 16.593 -22.235 1.00 0.00 N ATOM 877 CA GLY A 43 -1.170 17.333 -22.962 1.00 0.00 C ATOM 878 C GLY A 43 -0.325 16.453 -23.874 1.00 0.00 C ATOM 879 O GLY A 43 0.454 16.972 -24.669 1.00 0.00 O ATOM 0 H GLY A 43 -1.981 16.446 -21.249 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.646 18.111 -23.559 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.518 17.834 -22.247 1.00 0.00 H new ATOM 883 N LEU A 44 -0.434 15.119 -23.710 1.00 0.00 N ATOM 884 CA LEU A 44 0.229 14.133 -24.588 1.00 0.00 C ATOM 885 C LEU A 44 -0.769 13.539 -25.600 1.00 0.00 C ATOM 886 O LEU A 44 -0.377 12.717 -26.420 1.00 0.00 O ATOM 887 CB LEU A 44 0.853 12.980 -23.754 1.00 0.00 C ATOM 888 CG LEU A 44 2.006 13.348 -22.778 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.511 12.122 -21.986 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.162 14.042 -23.511 1.00 0.00 C ATOM 0 H LEU A 44 -0.985 14.694 -22.964 1.00 0.00 H new ATOM 0 HA LEU A 44 1.019 14.656 -25.127 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.056 12.514 -23.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.226 12.226 -24.447 1.00 0.00 H new ATOM 0 HG LEU A 44 1.593 14.053 -22.056 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.316 12.427 -21.317 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.692 11.704 -21.401 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.882 11.368 -22.680 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.951 14.285 -22.799 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.558 13.376 -24.278 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.799 14.958 -23.978 1.00 0.00 H new ATOM 902 N ALA A 45 -2.035 13.981 -25.562 1.00 0.00 N ATOM 903 CA ALA A 45 -3.123 13.361 -26.351 1.00 0.00 C ATOM 904 C ALA A 45 -2.925 13.525 -27.878 1.00 0.00 C ATOM 905 O ALA A 45 -2.799 14.649 -28.384 1.00 0.00 O ATOM 906 CB ALA A 45 -4.473 13.942 -25.914 1.00 0.00 C ATOM 0 H ALA A 45 -2.337 14.770 -24.991 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.102 12.290 -26.152 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.272 13.484 -26.497 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.632 13.737 -24.855 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.476 15.019 -26.079 1.00 0.00 H new ATOM 912 N GLY A 46 -2.861 12.372 -28.577 1.00 0.00 N ATOM 913 CA GLY A 46 -2.871 12.311 -30.048 1.00 0.00 C ATOM 914 C GLY A 46 -1.594 12.813 -30.731 1.00 0.00 C ATOM 915 O GLY A 46 -1.574 12.989 -31.955 1.00 0.00 O ATOM 0 H GLY A 46 -2.801 11.456 -28.132 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.044 11.279 -30.352 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.714 12.897 -30.414 1.00 0.00 H new ATOM 919 N ARG A 47 -0.530 13.025 -29.947 1.00 0.00 N ATOM 920 CA ARG A 47 0.783 13.523 -30.446 1.00 0.00 C ATOM 921 C ARG A 47 1.900 12.489 -30.199 1.00 0.00 C ATOM 922 O ARG A 47 3.013 12.625 -30.723 1.00 0.00 O ATOM 923 CB ARG A 47 1.102 14.898 -29.790 1.00 0.00 C ATOM 924 CG ARG A 47 0.801 14.947 -28.285 1.00 0.00 C ATOM 925 CD ARG A 47 0.930 16.338 -27.649 1.00 0.00 C ATOM 926 NE ARG A 47 0.206 17.385 -28.404 1.00 0.00 N ATOM 927 CZ ARG A 47 -0.202 18.571 -27.916 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.052 18.926 -26.660 1.00 0.00 N ATOM 929 NH2 ARG A 47 -0.874 19.406 -28.699 1.00 0.00 N ATOM 0 H ARG A 47 -0.543 12.859 -28.941 1.00 0.00 H new ATOM 0 HA ARG A 47 0.726 13.666 -31.525 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.155 15.131 -29.949 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.524 15.674 -30.293 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.212 14.579 -28.119 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.477 14.264 -27.771 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.548 16.303 -26.629 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.984 16.607 -27.585 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.003 17.190 -29.383 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.566 18.294 -26.045 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.267 19.830 -26.311 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.078 19.147 -29.664 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.186 20.306 -28.335 1.00 0.00 H new ATOM 943 N LEU A 48 1.584 11.472 -29.378 1.00 0.00 N ATOM 944 CA LEU A 48 2.452 10.298 -29.127 1.00 0.00 C ATOM 945 C LEU A 48 1.876 9.042 -29.819 1.00 0.00 C ATOM 946 O LEU A 48 2.464 7.960 -29.747 1.00 0.00 O ATOM 947 CB LEU A 48 2.641 10.077 -27.592 1.00 0.00 C ATOM 948 CG LEU A 48 1.490 9.422 -26.743 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.719 9.675 -25.243 1.00 0.00 C ATOM 950 CD2 LEU A 48 0.074 9.825 -27.170 1.00 0.00 C ATOM 0 H LEU A 48 0.706 11.438 -28.860 1.00 0.00 H new ATOM 0 HA LEU A 48 3.436 10.488 -29.556 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.531 9.462 -27.460 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.857 11.049 -27.149 1.00 0.00 H new ATOM 0 HG LEU A 48 1.545 8.352 -26.942 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.914 9.215 -24.669 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.673 9.241 -24.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.733 10.748 -25.053 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.655 9.327 -26.531 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.041 10.905 -27.077 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.091 9.530 -28.206 1.00 0.00 H new ATOM 962 N ILE A 49 0.685 9.207 -30.452 1.00 0.00 N ATOM 963 CA ILE A 49 0.044 8.198 -31.334 1.00 0.00 C ATOM 964 C ILE A 49 -0.462 8.895 -32.606 1.00 0.00 C ATOM 965 O ILE A 49 -1.026 9.993 -32.532 1.00 0.00 O ATOM 966 CB ILE A 49 -1.154 7.429 -30.649 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.634 6.548 -29.490 1.00 0.00 C ATOM 968 CG2 ILE A 49 -1.965 6.565 -31.673 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.661 5.623 -28.881 1.00 0.00 C ATOM 0 H ILE A 49 0.134 10.061 -30.361 1.00 0.00 H new ATOM 0 HA ILE A 49 0.803 7.451 -31.565 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.836 8.180 -30.250 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.201 5.950 -29.855 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.243 7.198 -28.707 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.778 6.055 -31.156 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.377 7.211 -32.448 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.305 5.826 -32.129 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.201 5.047 -28.078 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.487 6.210 -28.480 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.037 4.943 -29.645 1.00 0.00 H new ATOM 981 N GLU A 50 -0.229 8.260 -33.769 1.00 0.00 N ATOM 982 CA GLU A 50 -0.861 8.645 -35.045 1.00 0.00 C ATOM 983 C GLU A 50 -1.402 7.368 -35.716 1.00 0.00 C ATOM 984 O GLU A 50 -0.621 6.564 -36.186 1.00 0.00 O ATOM 985 CB GLU A 50 0.183 9.351 -35.973 1.00 0.00 C ATOM 986 CG GLU A 50 -0.384 10.322 -37.043 1.00 0.00 C ATOM 987 CD GLU A 50 -1.371 9.688 -38.039 1.00 0.00 C ATOM 988 OE1 GLU A 50 -0.927 8.928 -38.922 1.00 0.00 O ATOM 989 OE2 GLU A 50 -2.591 9.931 -37.925 1.00 0.00 O ATOM 0 H GLU A 50 0.404 7.464 -33.851 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.677 9.345 -34.866 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.878 9.906 -35.343 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.761 8.581 -36.484 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.884 11.147 -36.535 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.449 10.749 -37.602 1.00 0.00 H new ATOM 996 N ASP A 51 -2.731 7.198 -35.739 1.00 0.00 N ATOM 997 CA ASP A 51 -3.420 6.101 -36.480 1.00 0.00 C ATOM 998 C ASP A 51 -2.872 4.679 -36.113 1.00 0.00 C ATOM 999 O ASP A 51 -2.886 3.750 -36.930 1.00 0.00 O ATOM 1000 CB ASP A 51 -3.350 6.407 -38.014 1.00 0.00 C ATOM 1001 CG ASP A 51 -4.218 5.487 -38.891 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -5.461 5.540 -38.778 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -3.662 4.725 -39.715 1.00 0.00 O ATOM 0 H ASP A 51 -3.374 7.816 -35.244 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.466 6.072 -36.176 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.656 7.440 -38.179 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.313 6.326 -38.340 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.422 4.519 -34.852 1.00 0.00 N ATOM 1009 CA GLY A 52 -1.963 3.220 -34.332 1.00 0.00 C ATOM 1010 C GLY A 52 -0.464 2.949 -34.465 1.00 0.00 C ATOM 1011 O GLY A 52 -0.010 1.856 -34.114 1.00 0.00 O ATOM 0 H GLY A 52 -2.368 5.279 -34.174 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.234 3.154 -33.278 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.505 2.429 -34.851 1.00 0.00 H new ATOM 1015 N GLU A 53 0.300 3.917 -34.991 1.00 0.00 N ATOM 1016 CA GLU A 53 1.784 3.936 -34.889 1.00 0.00 C ATOM 1017 C GLU A 53 2.194 5.069 -33.932 1.00 0.00 C ATOM 1018 O GLU A 53 1.316 5.746 -33.380 1.00 0.00 O ATOM 1019 CB GLU A 53 2.435 4.119 -36.282 1.00 0.00 C ATOM 1020 CG GLU A 53 1.910 5.326 -37.055 1.00 0.00 C ATOM 1021 CD GLU A 53 2.553 5.507 -38.430 1.00 0.00 C ATOM 1022 OE1 GLU A 53 2.239 4.721 -39.346 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.391 6.412 -38.598 1.00 0.00 O ATOM 0 H GLU A 53 -0.084 4.713 -35.501 1.00 0.00 H new ATOM 0 HA GLU A 53 2.136 2.982 -34.497 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.513 4.220 -36.158 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.265 3.219 -36.873 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.832 5.225 -37.179 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.080 6.226 -36.464 1.00 0.00 H new ATOM 1030 N VAL A 54 3.518 5.271 -33.719 1.00 0.00 N ATOM 1031 CA VAL A 54 3.985 6.267 -32.732 1.00 0.00 C ATOM 1032 C VAL A 54 3.636 7.727 -33.159 1.00 0.00 C ATOM 1033 O VAL A 54 2.921 8.377 -32.429 1.00 0.00 O ATOM 1034 CB VAL A 54 5.523 6.110 -32.406 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.794 4.787 -31.649 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.413 6.203 -33.673 1.00 0.00 C ATOM 0 H VAL A 54 4.262 4.770 -34.205 1.00 0.00 H new ATOM 0 HA VAL A 54 3.441 6.064 -31.810 1.00 0.00 H new ATOM 0 HB VAL A 54 5.793 6.947 -31.763 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.860 4.702 -31.436 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.235 4.782 -30.713 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.478 3.944 -32.264 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.460 6.089 -33.392 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.136 5.413 -34.371 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.269 7.173 -34.148 1.00 0.00 H new ATOM 1046 N LYS A 55 4.057 8.174 -34.375 1.00 0.00 N ATOM 1047 CA LYS A 55 3.783 9.544 -34.947 1.00 0.00 C ATOM 1048 C LYS A 55 4.938 9.937 -35.885 1.00 0.00 C ATOM 1049 O LYS A 55 6.098 9.769 -35.516 1.00 0.00 O ATOM 1050 CB LYS A 55 3.588 10.672 -33.861 1.00 0.00 C ATOM 1051 CG LYS A 55 3.527 12.145 -34.343 1.00 0.00 C ATOM 1052 CD LYS A 55 2.166 12.525 -34.973 1.00 0.00 C ATOM 1053 CE LYS A 55 0.990 12.394 -33.989 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.298 12.860 -34.574 1.00 0.00 N ATOM 0 H LYS A 55 4.607 7.590 -35.004 1.00 0.00 H new ATOM 0 HA LYS A 55 2.837 9.471 -35.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.666 10.459 -33.321 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.404 10.589 -33.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.726 12.805 -33.499 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.318 12.314 -35.074 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.215 13.551 -35.338 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.982 11.888 -35.838 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.891 11.352 -33.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.207 12.971 -33.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.708 13.598 -33.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.128 13.249 -35.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.959 12.060 -34.641 1.00 0.00 H new ATOM 1068 N PRO A 56 4.645 10.437 -37.121 1.00 0.00 N ATOM 1069 CA PRO A 56 5.659 11.101 -37.988 1.00 0.00 C ATOM 1070 C PRO A 56 6.343 12.293 -37.262 1.00 0.00 C ATOM 1071 O PRO A 56 5.664 13.091 -36.606 1.00 0.00 O ATOM 1072 CB PRO A 56 4.821 11.569 -39.220 1.00 0.00 C ATOM 1073 CG PRO A 56 3.398 11.533 -38.742 1.00 0.00 C ATOM 1074 CD PRO A 56 3.329 10.371 -37.795 1.00 0.00 C ATOM 0 HA PRO A 56 6.483 10.443 -38.264 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.108 12.572 -39.537 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.969 10.909 -40.075 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.127 12.464 -38.244 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.706 11.404 -39.574 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.505 10.470 -37.089 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.187 9.426 -38.320 1.00 0.00 H new ATOM 1082 N HIS A 57 7.689 12.341 -37.344 1.00 0.00 N ATOM 1083 CA HIS A 57 8.551 13.411 -36.760 1.00 0.00 C ATOM 1084 C HIS A 57 8.790 13.264 -35.240 1.00 0.00 C ATOM 1085 O HIS A 57 9.655 13.968 -34.698 1.00 0.00 O ATOM 1086 CB HIS A 57 8.070 14.856 -37.094 1.00 0.00 C ATOM 1087 CG HIS A 57 8.149 15.243 -38.558 1.00 0.00 C ATOM 1088 ND1 HIS A 57 9.056 16.165 -39.048 1.00 0.00 N ATOM 1089 CD2 HIS A 57 7.388 14.882 -39.621 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.852 16.350 -40.338 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.846 15.587 -40.710 1.00 0.00 N ATOM 0 H HIS A 57 8.228 11.623 -37.828 1.00 0.00 H new ATOM 0 HA HIS A 57 9.510 13.260 -37.256 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.037 14.963 -36.762 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.666 15.562 -36.516 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.574 14.173 -39.614 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.414 17.013 -40.979 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.467 15.528 -41.655 1.00 0.00 H new ATOM 1100 N VAL A 58 8.033 12.382 -34.547 1.00 0.00 N ATOM 1101 CA VAL A 58 8.263 12.111 -33.107 1.00 0.00 C ATOM 1102 C VAL A 58 9.549 11.273 -32.988 1.00 0.00 C ATOM 1103 O VAL A 58 9.803 10.419 -33.843 1.00 0.00 O ATOM 1104 CB VAL A 58 7.018 11.385 -32.413 1.00 0.00 C ATOM 1105 CG1 VAL A 58 7.037 9.846 -32.554 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.874 11.786 -30.928 1.00 0.00 C ATOM 0 H VAL A 58 7.265 11.850 -34.956 1.00 0.00 H new ATOM 0 HA VAL A 58 8.377 13.055 -32.575 1.00 0.00 H new ATOM 0 HB VAL A 58 6.144 11.739 -32.960 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.162 9.424 -32.059 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.021 9.577 -33.610 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.941 9.449 -32.092 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.017 11.271 -30.494 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.778 11.507 -30.386 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.726 12.863 -30.855 1.00 0.00 H new ATOM 1116 N ASN A 59 10.400 11.564 -31.992 1.00 0.00 N ATOM 1117 CA ASN A 59 11.624 10.780 -31.756 1.00 0.00 C ATOM 1118 C ASN A 59 11.442 9.996 -30.465 1.00 0.00 C ATOM 1119 O ASN A 59 11.513 10.550 -29.378 1.00 0.00 O ATOM 1120 CB ASN A 59 12.882 11.685 -31.678 1.00 0.00 C ATOM 1121 CG ASN A 59 13.174 12.461 -32.960 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.273 12.983 -33.613 1.00 0.00 O ATOM 1123 ND2 ASN A 59 14.434 12.489 -33.358 1.00 0.00 N ATOM 0 H ASN A 59 10.264 12.335 -31.338 1.00 0.00 H new ATOM 0 HA ASN A 59 11.783 10.100 -32.593 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.757 12.393 -30.859 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.746 11.067 -31.436 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.683 12.954 -34.231 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.158 12.046 -32.792 1.00 0.00 H new ATOM 1130 N VAL A 60 11.196 8.697 -30.597 1.00 0.00 N ATOM 1131 CA VAL A 60 10.933 7.805 -29.465 1.00 0.00 C ATOM 1132 C VAL A 60 12.004 6.712 -29.423 1.00 0.00 C ATOM 1133 O VAL A 60 12.190 5.978 -30.388 1.00 0.00 O ATOM 1134 CB VAL A 60 9.484 7.195 -29.533 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.427 8.229 -29.053 1.00 0.00 C ATOM 1136 CG2 VAL A 60 9.134 6.697 -30.959 1.00 0.00 C ATOM 0 H VAL A 60 11.173 8.225 -31.501 1.00 0.00 H new ATOM 0 HA VAL A 60 10.982 8.382 -28.542 1.00 0.00 H new ATOM 0 HB VAL A 60 9.466 6.334 -28.865 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.433 7.786 -29.109 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.640 8.515 -28.023 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.466 9.112 -29.690 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.126 6.283 -30.963 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.187 7.531 -31.659 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.843 5.926 -31.259 1.00 0.00 H new ATOM 1146 N LEU A 61 12.751 6.676 -28.314 1.00 0.00 N ATOM 1147 CA LEU A 61 13.923 5.812 -28.129 1.00 0.00 C ATOM 1148 C LEU A 61 13.643 4.740 -27.059 1.00 0.00 C ATOM 1149 O LEU A 61 13.150 5.032 -25.982 1.00 0.00 O ATOM 1150 CB LEU A 61 15.179 6.654 -27.747 1.00 0.00 C ATOM 1151 CG LEU A 61 15.660 7.726 -28.783 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.729 8.941 -28.866 1.00 0.00 C ATOM 1153 CD2 LEU A 61 17.130 8.154 -28.541 1.00 0.00 C ATOM 0 H LEU A 61 12.553 7.260 -27.501 1.00 0.00 H new ATOM 0 HA LEU A 61 14.126 5.309 -29.075 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.972 7.162 -26.805 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.005 5.966 -27.563 1.00 0.00 H new ATOM 0 HG LEU A 61 15.617 7.236 -29.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.117 9.647 -29.601 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.733 8.616 -29.166 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.675 9.425 -27.891 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.419 8.898 -29.283 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.225 8.581 -27.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.781 7.284 -28.627 1.00 0.00 H new ATOM 1165 N LYS A 62 13.957 3.501 -27.400 1.00 0.00 N ATOM 1166 CA LYS A 62 13.864 2.325 -26.528 1.00 0.00 C ATOM 1167 C LYS A 62 15.290 1.901 -26.144 1.00 0.00 C ATOM 1168 O LYS A 62 16.051 1.444 -27.010 1.00 0.00 O ATOM 1169 CB LYS A 62 13.113 1.223 -27.322 1.00 0.00 C ATOM 1170 CG LYS A 62 13.369 -0.240 -26.932 1.00 0.00 C ATOM 1171 CD LYS A 62 12.773 -0.657 -25.588 1.00 0.00 C ATOM 1172 CE LYS A 62 13.184 -2.087 -25.209 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.653 -2.218 -25.041 1.00 0.00 N ATOM 0 H LYS A 62 14.300 3.269 -28.332 1.00 0.00 H new ATOM 0 HA LYS A 62 13.317 2.524 -25.606 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.044 1.412 -27.228 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.366 1.338 -28.376 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.962 -0.886 -27.710 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.445 -0.412 -26.906 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.102 0.035 -24.813 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.686 -0.590 -25.634 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.686 -2.374 -24.283 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.844 -2.778 -25.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.901 -3.221 -24.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.134 -1.842 -25.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.956 -1.683 -24.202 1.00 0.00 H new ATOM 1187 N ASN A 63 15.657 2.111 -24.860 1.00 0.00 N ATOM 1188 CA ASN A 63 17.019 1.825 -24.335 1.00 0.00 C ATOM 1189 C ASN A 63 18.099 2.595 -25.157 1.00 0.00 C ATOM 1190 O ASN A 63 19.208 2.107 -25.390 1.00 0.00 O ATOM 1191 CB ASN A 63 17.256 0.274 -24.332 1.00 0.00 C ATOM 1192 CG ASN A 63 18.558 -0.191 -23.652 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.055 0.442 -22.719 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.119 -1.299 -24.122 1.00 0.00 N ATOM 0 H ASN A 63 15.020 2.483 -24.155 1.00 0.00 H new ATOM 0 HA ASN A 63 17.104 2.179 -23.308 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.414 -0.205 -23.833 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.258 -0.079 -25.363 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.984 -1.647 -23.709 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.684 -1.802 -24.896 1.00 0.00 H new ATOM 1201 N GLY A 64 17.731 3.818 -25.592 1.00 0.00 N ATOM 1202 CA GLY A 64 18.623 4.695 -26.372 1.00 0.00 C ATOM 1203 C GLY A 64 18.602 4.443 -27.894 1.00 0.00 C ATOM 1204 O GLY A 64 19.308 5.128 -28.646 1.00 0.00 O ATOM 0 H GLY A 64 16.812 4.222 -25.413 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.345 5.732 -26.185 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.643 4.568 -26.010 1.00 0.00 H new ATOM 1208 N ARG A 65 17.790 3.467 -28.352 1.00 0.00 N ATOM 1209 CA ARG A 65 17.639 3.130 -29.789 1.00 0.00 C ATOM 1210 C ARG A 65 16.271 3.607 -30.297 1.00 0.00 C ATOM 1211 O ARG A 65 15.239 3.065 -29.913 1.00 0.00 O ATOM 1212 CB ARG A 65 17.806 1.603 -30.021 1.00 0.00 C ATOM 1213 CG ARG A 65 17.608 1.134 -31.490 1.00 0.00 C ATOM 1214 CD ARG A 65 18.508 1.879 -32.496 1.00 0.00 C ATOM 1215 NE ARG A 65 19.934 1.841 -32.110 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.921 1.257 -32.806 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.661 0.552 -33.906 1.00 0.00 N ATOM 1218 NH2 ARG A 65 22.165 1.369 -32.375 1.00 0.00 N ATOM 0 H ARG A 65 17.218 2.888 -27.737 1.00 0.00 H new ATOM 0 HA ARG A 65 18.422 3.641 -30.350 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.803 1.308 -29.693 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.093 1.075 -29.388 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.812 0.065 -31.553 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.565 1.277 -31.772 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.390 1.434 -33.484 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.182 2.916 -32.572 1.00 0.00 H new ATOM 0 HE ARG A 65 20.191 2.300 -31.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.700 0.450 -34.231 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.423 0.114 -34.423 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.364 1.894 -31.524 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.926 0.930 -32.894 1.00 0.00 H new ATOM 1232 N GLU A 66 16.294 4.605 -31.187 1.00 0.00 N ATOM 1233 CA GLU A 66 15.094 5.282 -31.688 1.00 0.00 C ATOM 1234 C GLU A 66 14.236 4.324 -32.549 1.00 0.00 C ATOM 1235 O GLU A 66 14.585 4.003 -33.688 1.00 0.00 O ATOM 1236 CB GLU A 66 15.509 6.562 -32.469 1.00 0.00 C ATOM 1237 CG GLU A 66 14.521 7.739 -32.379 1.00 0.00 C ATOM 1238 CD GLU A 66 15.063 9.003 -33.068 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.914 9.143 -34.300 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.674 9.841 -32.379 1.00 0.00 O ATOM 0 H GLU A 66 17.159 4.970 -31.585 1.00 0.00 H new ATOM 0 HA GLU A 66 14.471 5.585 -30.847 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.479 6.895 -32.099 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.641 6.300 -33.519 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.575 7.453 -32.839 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.313 7.958 -31.332 1.00 0.00 H new ATOM 1247 N VAL A 67 13.116 3.865 -31.962 1.00 0.00 N ATOM 1248 CA VAL A 67 12.199 2.874 -32.567 1.00 0.00 C ATOM 1249 C VAL A 67 11.408 3.402 -33.780 1.00 0.00 C ATOM 1250 O VAL A 67 10.613 2.663 -34.356 1.00 0.00 O ATOM 1251 CB VAL A 67 11.223 2.252 -31.509 1.00 0.00 C ATOM 1252 CG1 VAL A 67 11.978 1.358 -30.522 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.399 3.327 -30.766 1.00 0.00 C ATOM 0 H VAL A 67 12.815 4.176 -31.038 1.00 0.00 H new ATOM 0 HA VAL A 67 12.856 2.090 -32.945 1.00 0.00 H new ATOM 0 HB VAL A 67 10.514 1.633 -32.058 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.277 0.940 -29.800 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.466 0.548 -31.064 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.730 1.948 -29.998 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.739 2.845 -30.045 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.073 4.006 -30.244 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.803 3.889 -31.484 1.00 0.00 H new ATOM 1263 N VAL A 68 11.606 4.674 -34.153 1.00 0.00 N ATOM 1264 CA VAL A 68 11.068 5.212 -35.422 1.00 0.00 C ATOM 1265 C VAL A 68 11.768 4.568 -36.643 1.00 0.00 C ATOM 1266 O VAL A 68 11.235 4.594 -37.753 1.00 0.00 O ATOM 1267 CB VAL A 68 11.205 6.771 -35.493 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.537 7.423 -34.269 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.679 7.219 -35.635 1.00 0.00 C ATOM 0 H VAL A 68 12.132 5.351 -33.601 1.00 0.00 H new ATOM 0 HA VAL A 68 10.008 4.959 -35.450 1.00 0.00 H new ATOM 0 HB VAL A 68 10.688 7.109 -36.391 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.640 8.506 -34.332 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.479 7.160 -34.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.018 7.065 -33.358 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.726 8.307 -35.680 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.251 6.867 -34.776 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.100 6.799 -36.548 1.00 0.00 H new ATOM 1279 N HIS A 69 12.981 4.013 -36.413 1.00 0.00 N ATOM 1280 CA HIS A 69 13.784 3.324 -37.450 1.00 0.00 C ATOM 1281 C HIS A 69 13.358 1.839 -37.595 1.00 0.00 C ATOM 1282 O HIS A 69 13.668 1.192 -38.605 1.00 0.00 O ATOM 1283 CB HIS A 69 15.302 3.420 -37.106 1.00 0.00 C ATOM 1284 CG HIS A 69 15.798 4.832 -36.904 1.00 0.00 C ATOM 1285 ND1 HIS A 69 16.340 5.439 -35.819 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 15.715 5.807 -37.875 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 16.551 6.758 -36.146 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 16.168 6.950 -37.393 1.00 0.00 N flip ATOM 0 H HIS A 69 13.432 4.031 -35.498 1.00 0.00 H new ATOM 0 HA HIS A 69 13.603 3.820 -38.404 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.496 2.845 -36.201 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.876 2.955 -37.908 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.338 5.659 -38.876 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.962 7.511 -35.490 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.214 7.834 -37.900 1.00 0.00 H new ATOM 1297 N LEU A 70 12.643 1.320 -36.572 1.00 0.00 N ATOM 1298 CA LEU A 70 12.174 -0.087 -36.510 1.00 0.00 C ATOM 1299 C LEU A 70 10.725 -0.132 -35.973 1.00 0.00 C ATOM 1300 O LEU A 70 9.948 0.794 -36.235 1.00 0.00 O ATOM 1301 CB LEU A 70 13.159 -0.982 -35.669 1.00 0.00 C ATOM 1302 CG LEU A 70 13.490 -0.547 -34.189 1.00 0.00 C ATOM 1303 CD1 LEU A 70 13.994 -1.748 -33.349 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.529 0.601 -34.141 1.00 0.00 C ATOM 0 H LEU A 70 12.371 1.870 -35.757 1.00 0.00 H new ATOM 0 HA LEU A 70 12.169 -0.507 -37.516 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.744 -1.989 -35.634 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.100 -1.043 -36.215 1.00 0.00 H new ATOM 0 HG LEU A 70 12.559 -0.180 -33.757 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.214 -1.416 -32.334 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.225 -2.520 -33.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.899 -2.154 -33.801 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.727 0.869 -33.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.455 0.274 -34.615 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.137 1.469 -34.671 1.00 0.00 H new ATOM 1316 N ASP A 71 10.338 -1.239 -35.302 1.00 0.00 N ATOM 1317 CA ASP A 71 9.023 -1.361 -34.641 1.00 0.00 C ATOM 1318 C ASP A 71 8.879 -0.339 -33.494 1.00 0.00 C ATOM 1319 O ASP A 71 9.521 -0.474 -32.449 1.00 0.00 O ATOM 1320 CB ASP A 71 8.835 -2.805 -34.101 1.00 0.00 C ATOM 1321 CG ASP A 71 8.650 -3.860 -35.206 1.00 0.00 C ATOM 1322 OD1 ASP A 71 9.585 -4.063 -36.016 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.572 -4.500 -35.274 1.00 0.00 O ATOM 0 H ASP A 71 10.925 -2.067 -35.204 1.00 0.00 H new ATOM 0 HA ASP A 71 8.249 -1.149 -35.378 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.702 -3.073 -33.497 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.967 -2.827 -33.441 1.00 0.00 H new ATOM 1328 N GLY A 72 8.034 0.685 -33.707 1.00 0.00 N ATOM 1329 CA GLY A 72 7.759 1.699 -32.688 1.00 0.00 C ATOM 1330 C GLY A 72 6.787 1.217 -31.623 1.00 0.00 C ATOM 1331 O GLY A 72 6.974 1.470 -30.427 1.00 0.00 O ATOM 0 H GLY A 72 7.530 0.828 -34.582 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.695 1.993 -32.213 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.352 2.589 -33.168 1.00 0.00 H new ATOM 1335 N MET A 73 5.739 0.518 -32.079 1.00 0.00 N ATOM 1336 CA MET A 73 4.642 0.041 -31.214 1.00 0.00 C ATOM 1337 C MET A 73 5.034 -1.208 -30.409 1.00 0.00 C ATOM 1338 O MET A 73 4.703 -1.309 -29.232 1.00 0.00 O ATOM 1339 CB MET A 73 3.366 -0.220 -32.075 1.00 0.00 C ATOM 1340 CG MET A 73 2.502 1.028 -32.292 1.00 0.00 C ATOM 1341 SD MET A 73 1.616 1.467 -30.780 1.00 0.00 S ATOM 1342 CE MET A 73 1.114 3.145 -31.106 1.00 0.00 C ATOM 0 H MET A 73 5.624 0.265 -33.060 1.00 0.00 H new ATOM 0 HA MET A 73 4.427 0.822 -30.485 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.668 -0.615 -33.045 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.763 -0.989 -31.591 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.131 1.861 -32.605 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.789 0.847 -33.097 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.735 3.596 -30.189 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.969 3.717 -31.465 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.331 3.150 -31.864 1.00 0.00 H new ATOM 1352 N ALA A 74 5.765 -2.139 -31.028 1.00 0.00 N ATOM 1353 CA ALA A 74 6.127 -3.418 -30.375 1.00 0.00 C ATOM 1354 C ALA A 74 7.509 -3.912 -30.833 1.00 0.00 C ATOM 1355 O ALA A 74 7.620 -4.784 -31.707 1.00 0.00 O ATOM 1356 CB ALA A 74 5.025 -4.465 -30.628 1.00 0.00 C ATOM 0 H ALA A 74 6.121 -2.040 -31.979 1.00 0.00 H new ATOM 0 HA ALA A 74 6.199 -3.255 -29.300 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.297 -5.404 -30.145 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.081 -4.106 -30.218 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.916 -4.627 -31.700 1.00 0.00 H new ATOM 1362 N THR A 75 8.564 -3.298 -30.275 1.00 0.00 N ATOM 1363 CA THR A 75 9.954 -3.676 -30.553 1.00 0.00 C ATOM 1364 C THR A 75 10.403 -4.904 -29.712 1.00 0.00 C ATOM 1365 O THR A 75 10.576 -5.997 -30.258 1.00 0.00 O ATOM 1366 CB THR A 75 10.928 -2.454 -30.385 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.295 -2.867 -30.524 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.732 -1.712 -29.050 1.00 0.00 C ATOM 0 H THR A 75 8.474 -2.524 -29.617 1.00 0.00 H new ATOM 0 HA THR A 75 10.003 -3.982 -31.598 1.00 0.00 H new ATOM 0 HB THR A 75 10.681 -1.753 -31.182 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.884 -2.091 -30.418 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.432 -0.878 -28.991 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.711 -1.334 -28.990 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.914 -2.398 -28.222 1.00 0.00 H new ATOM 1376 N ALA A 76 10.521 -4.733 -28.373 1.00 0.00 N ATOM 1377 CA ALA A 76 11.240 -5.686 -27.488 1.00 0.00 C ATOM 1378 C ALA A 76 11.205 -5.216 -26.015 1.00 0.00 C ATOM 1379 O ALA A 76 12.148 -5.486 -25.260 1.00 0.00 O ATOM 1380 CB ALA A 76 12.706 -5.856 -27.963 1.00 0.00 C ATOM 0 H ALA A 76 10.123 -3.936 -27.877 1.00 0.00 H new ATOM 0 HA ALA A 76 10.734 -6.649 -27.546 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.222 -6.557 -27.307 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.716 -6.240 -28.983 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.212 -4.891 -27.934 1.00 0.00 H new ATOM 1386 N LEU A 77 10.101 -4.559 -25.580 1.00 0.00 N ATOM 1387 CA LEU A 77 10.107 -3.782 -24.317 1.00 0.00 C ATOM 1388 C LEU A 77 10.106 -4.719 -23.105 1.00 0.00 C ATOM 1389 O LEU A 77 9.358 -5.694 -23.053 1.00 0.00 O ATOM 1390 CB LEU A 77 8.922 -2.793 -24.231 1.00 0.00 C ATOM 1391 CG LEU A 77 8.950 -1.814 -23.017 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.249 -1.004 -22.988 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.724 -0.891 -23.017 1.00 0.00 C ATOM 0 H LEU A 77 9.210 -4.551 -26.076 1.00 0.00 H new ATOM 0 HA LEU A 77 11.024 -3.193 -24.311 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.895 -2.205 -25.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.996 -3.366 -24.192 1.00 0.00 H new ATOM 0 HG LEU A 77 8.912 -2.415 -22.109 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.239 -0.331 -22.131 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.099 -1.682 -22.907 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.335 -0.422 -23.905 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.773 -0.221 -22.159 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.710 -0.304 -23.935 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.816 -1.492 -22.957 1.00 0.00 H new ATOM 1405 N ASP A 78 10.961 -4.382 -22.135 1.00 0.00 N ATOM 1406 CA ASP A 78 11.354 -5.276 -21.044 1.00 0.00 C ATOM 1407 C ASP A 78 11.384 -4.503 -19.716 1.00 0.00 C ATOM 1408 O ASP A 78 11.374 -3.277 -19.718 1.00 0.00 O ATOM 1409 CB ASP A 78 12.752 -5.849 -21.379 1.00 0.00 C ATOM 1410 CG ASP A 78 13.228 -6.928 -20.396 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.657 -8.039 -20.408 1.00 0.00 O ATOM 1412 OD2 ASP A 78 14.148 -6.665 -19.591 1.00 0.00 O ATOM 0 H ASP A 78 11.406 -3.466 -22.086 1.00 0.00 H new ATOM 0 HA ASP A 78 10.637 -6.090 -20.937 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.731 -6.270 -22.384 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.476 -5.034 -21.389 1.00 0.00 H new ATOM 1417 N ASP A 79 11.445 -5.233 -18.596 1.00 0.00 N ATOM 1418 CA ASP A 79 11.498 -4.644 -17.246 1.00 0.00 C ATOM 1419 C ASP A 79 12.801 -3.854 -17.018 1.00 0.00 C ATOM 1420 O ASP A 79 13.872 -4.240 -17.502 1.00 0.00 O ATOM 1421 CB ASP A 79 11.343 -5.764 -16.185 1.00 0.00 C ATOM 1422 CG ASP A 79 11.402 -5.259 -14.732 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.506 -4.511 -14.322 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.332 -5.625 -13.988 1.00 0.00 O ATOM 0 H ASP A 79 11.459 -6.253 -18.597 1.00 0.00 H new ATOM 0 HA ASP A 79 10.674 -3.937 -17.149 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.392 -6.273 -16.344 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.129 -6.504 -16.334 1.00 0.00 H new ATOM 1429 N GLY A 80 12.671 -2.746 -16.276 1.00 0.00 N ATOM 1430 CA GLY A 80 13.783 -1.851 -15.980 1.00 0.00 C ATOM 1431 C GLY A 80 14.268 -1.057 -17.190 1.00 0.00 C ATOM 1432 O GLY A 80 15.389 -0.526 -17.170 1.00 0.00 O ATOM 0 H GLY A 80 11.786 -2.450 -15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.480 -1.155 -15.197 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.613 -2.436 -15.583 1.00 0.00 H new ATOM 1436 N ASP A 81 13.431 -0.961 -18.250 1.00 0.00 N ATOM 1437 CA ASP A 81 13.835 -0.294 -19.500 1.00 0.00 C ATOM 1438 C ASP A 81 13.613 1.224 -19.418 1.00 0.00 C ATOM 1439 O ASP A 81 12.567 1.671 -18.946 1.00 0.00 O ATOM 1440 CB ASP A 81 13.084 -0.831 -20.745 1.00 0.00 C ATOM 1441 CG ASP A 81 13.808 -0.405 -22.035 1.00 0.00 C ATOM 1442 OD1 ASP A 81 14.776 -1.095 -22.417 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.450 0.629 -22.645 1.00 0.00 O ATOM 0 H ASP A 81 12.482 -1.335 -18.261 1.00 0.00 H new ATOM 0 HA ASP A 81 14.896 -0.516 -19.616 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.021 -1.918 -20.698 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.062 -0.452 -20.752 1.00 0.00 H new ATOM 1448 N ALA A 82 14.594 2.002 -19.912 1.00 0.00 N ATOM 1449 CA ALA A 82 14.474 3.459 -20.017 1.00 0.00 C ATOM 1450 C ALA A 82 14.024 3.850 -21.444 1.00 0.00 C ATOM 1451 O ALA A 82 14.848 3.956 -22.367 1.00 0.00 O ATOM 1452 CB ALA A 82 15.799 4.139 -19.625 1.00 0.00 C ATOM 0 H ALA A 82 15.485 1.636 -20.247 1.00 0.00 H new ATOM 0 HA ALA A 82 13.713 3.809 -19.320 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.692 5.220 -19.709 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.052 3.878 -18.597 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.593 3.801 -20.291 1.00 0.00 H new ATOM 1458 N VAL A 83 12.700 4.031 -21.618 1.00 0.00 N ATOM 1459 CA VAL A 83 12.110 4.465 -22.895 1.00 0.00 C ATOM 1460 C VAL A 83 12.129 6.004 -22.928 1.00 0.00 C ATOM 1461 O VAL A 83 11.347 6.655 -22.229 1.00 0.00 O ATOM 1462 CB VAL A 83 10.621 3.963 -23.059 1.00 0.00 C ATOM 1463 CG1 VAL A 83 10.050 4.296 -24.466 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.507 2.459 -22.741 1.00 0.00 C ATOM 0 H VAL A 83 12.014 3.880 -20.879 1.00 0.00 H new ATOM 0 HA VAL A 83 12.693 4.039 -23.712 1.00 0.00 H new ATOM 0 HB VAL A 83 10.011 4.503 -22.335 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.024 3.934 -24.537 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.065 5.375 -24.619 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.659 3.813 -25.230 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.472 2.139 -22.862 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.143 1.894 -23.422 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.825 2.279 -21.714 1.00 0.00 H new ATOM 1474 N SER A 84 13.029 6.570 -23.731 1.00 0.00 N ATOM 1475 CA SER A 84 13.116 8.021 -23.954 1.00 0.00 C ATOM 1476 C SER A 84 12.093 8.453 -25.020 1.00 0.00 C ATOM 1477 O SER A 84 11.752 7.661 -25.891 1.00 0.00 O ATOM 1478 CB SER A 84 14.551 8.387 -24.389 1.00 0.00 C ATOM 1479 OG SER A 84 15.504 8.030 -23.396 1.00 0.00 O ATOM 0 H SER A 84 13.725 6.035 -24.251 1.00 0.00 H new ATOM 0 HA SER A 84 12.884 8.548 -23.029 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.790 7.879 -25.323 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.611 9.458 -24.584 1.00 0.00 H new ATOM 0 HG SER A 84 16.403 8.273 -23.702 1.00 0.00 H new ATOM 1485 N VAL A 85 11.581 9.698 -24.941 1.00 0.00 N ATOM 1486 CA VAL A 85 10.611 10.244 -25.915 1.00 0.00 C ATOM 1487 C VAL A 85 10.859 11.758 -26.104 1.00 0.00 C ATOM 1488 O VAL A 85 11.188 12.484 -25.158 1.00 0.00 O ATOM 1489 CB VAL A 85 9.084 10.003 -25.533 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.730 8.502 -25.344 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.685 10.814 -24.296 1.00 0.00 C ATOM 0 H VAL A 85 11.828 10.354 -24.200 1.00 0.00 H new ATOM 0 HA VAL A 85 10.781 9.696 -26.842 1.00 0.00 H new ATOM 0 HB VAL A 85 8.502 10.356 -26.385 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.675 8.407 -25.085 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.926 7.962 -26.270 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.339 8.082 -24.544 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.637 10.628 -24.061 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.305 10.516 -23.450 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.829 11.876 -24.495 1.00 0.00 H new ATOM 1501 N PHE A 86 10.709 12.198 -27.347 1.00 0.00 N ATOM 1502 CA PHE A 86 10.852 13.592 -27.783 1.00 0.00 C ATOM 1503 C PHE A 86 9.625 13.863 -28.687 1.00 0.00 C ATOM 1504 O PHE A 86 9.341 13.029 -29.548 1.00 0.00 O ATOM 1505 CB PHE A 86 12.155 13.809 -28.626 1.00 0.00 C ATOM 1506 CG PHE A 86 13.490 13.437 -27.969 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.821 12.110 -27.716 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.434 14.409 -27.632 1.00 0.00 C ATOM 1509 CE1 PHE A 86 15.034 11.771 -27.150 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.655 14.060 -27.073 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.947 12.735 -26.830 1.00 0.00 C ATOM 0 H PHE A 86 10.474 11.570 -28.116 1.00 0.00 H new ATOM 0 HA PHE A 86 10.913 14.257 -26.921 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.061 13.233 -29.547 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.201 14.860 -28.911 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.117 11.331 -27.967 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.210 15.450 -27.810 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.263 10.733 -26.958 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.376 14.826 -26.828 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.894 12.460 -26.389 1.00 0.00 H new ATOM 1521 N PRO A 87 8.875 14.992 -28.505 1.00 0.00 N ATOM 1522 CA PRO A 87 7.675 15.332 -29.331 1.00 0.00 C ATOM 1523 C PRO A 87 7.990 15.465 -30.841 1.00 0.00 C ATOM 1524 O PRO A 87 9.167 15.556 -31.225 1.00 0.00 O ATOM 1525 CB PRO A 87 7.199 16.693 -28.730 1.00 0.00 C ATOM 1526 CG PRO A 87 8.383 17.219 -28.008 1.00 0.00 C ATOM 1527 CD PRO A 87 9.103 16.009 -27.474 1.00 0.00 C ATOM 0 HA PRO A 87 6.921 14.546 -29.290 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.875 17.380 -29.512 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.353 16.555 -28.056 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.025 17.794 -28.675 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.084 17.886 -27.199 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.166 16.205 -27.332 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.704 15.698 -26.508 1.00 0.00 H new ATOM 1535 N PRO A 88 6.941 15.476 -31.728 1.00 0.00 N ATOM 1536 CA PRO A 88 7.153 15.687 -33.165 1.00 0.00 C ATOM 1537 C PRO A 88 7.669 17.113 -33.435 1.00 0.00 C ATOM 1538 O PRO A 88 7.112 18.098 -32.929 1.00 0.00 O ATOM 1539 CB PRO A 88 5.759 15.426 -33.791 1.00 0.00 C ATOM 1540 CG PRO A 88 4.789 15.698 -32.682 1.00 0.00 C ATOM 1541 CD PRO A 88 5.495 15.288 -31.406 1.00 0.00 C ATOM 0 HA PRO A 88 7.911 15.031 -33.593 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.579 16.080 -34.644 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.672 14.401 -34.151 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.512 16.752 -32.654 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.869 15.130 -32.819 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.189 15.906 -30.562 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.275 14.254 -31.140 1.00 0.00 H new