USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc=-0.00143 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-0.25) USER MOD Set 3.1: A 22 THR OG1 : rot -160:sc= -0.661 USER MOD Set 3.2: A 39 GLN : amide:sc= 0 X(o=-0.66,f=-0.66) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.703 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.919 USER MOD Single : A 37 SER OG : rot 45:sc= 0.00663 USER MOD Single : A 43 CYS SG : rot 108:sc= -0.369 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot -140:sc= -0.683 USER MOD Single : A 51 SER OG : rot 118:sc= 0.285! USER MOD Single : A 55 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.293 K(o=-0.29,f=-4.7!) USER MOD Single : A 66 ASN : amide:sc= -0.432 K(o=-0.43,f=-9.6!) USER MOD Single : A 69 ASN : amide:sc= -0.656 K(o=-0.66,f=-1.7) USER MOD Single : A 72 GLN : amide:sc= 0.0538 X(o=0.054,f=-0.16) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 35:sc= 0.0616 USER MOD Single : A 83 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.11) USER MOD Single : A 84 HIS : no HE2:sc= 0.689 K(o=0.69,f=-8.2!) USER MOD Single : A 86 TYR OH : rot 15:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 1.07 K(o=1.1,f=-0.19) USER MOD Single : A 94 SER OG : rot 148:sc= -0.3 USER MOD Single : A 95 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.754 16.440 -1.528 1.00 0.00 N ATOM 185 CA GLY A 16 8.423 16.408 -2.106 1.00 0.00 C ATOM 186 C GLY A 16 7.922 14.995 -2.329 1.00 0.00 C ATOM 187 O GLY A 16 7.449 14.660 -3.416 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.732 16.936 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.430 16.942 -3.056 1.00 0.00 H new ATOM 191 N VAL A 17 8.027 14.162 -1.299 1.00 0.00 N ATOM 192 CA VAL A 17 7.581 12.776 -1.387 1.00 0.00 C ATOM 193 C VAL A 17 6.295 12.561 -0.598 1.00 0.00 C ATOM 194 O VAL A 17 6.024 13.240 0.393 1.00 0.00 O ATOM 195 CB VAL A 17 8.658 11.806 -0.867 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.827 11.734 -1.838 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.130 12.226 0.517 1.00 0.00 C ATOM 0 H VAL A 17 8.417 14.423 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 17 7.395 12.570 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 17 8.219 10.811 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.578 11.044 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.474 11.382 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.268 12.724 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.891 11.529 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.552 13.230 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.286 12.220 1.207 1.00 0.00 H new ATOM 207 N PRO A 18 5.481 11.594 -1.045 1.00 0.00 N ATOM 208 CA PRO A 18 4.209 11.266 -0.394 1.00 0.00 C ATOM 209 C PRO A 18 4.407 10.606 0.966 1.00 0.00 C ATOM 210 O PRO A 18 4.889 9.476 1.054 1.00 0.00 O ATOM 211 CB PRO A 18 3.552 10.288 -1.372 1.00 0.00 C ATOM 212 CG PRO A 18 4.688 9.675 -2.116 1.00 0.00 C ATOM 213 CD PRO A 18 5.740 10.745 -2.220 1.00 0.00 C ATOM 0 HA PRO A 18 3.612 12.156 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.970 9.532 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.868 10.803 -2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.072 8.800 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.372 9.341 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.745 10.324 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.651 11.307 -3.149 1.00 0.00 H new ATOM 221 N ASP A 19 4.032 11.317 2.024 1.00 0.00 N ATOM 222 CA ASP A 19 4.167 10.799 3.380 1.00 0.00 C ATOM 223 C ASP A 19 3.453 9.458 3.524 1.00 0.00 C ATOM 224 O ASP A 19 2.525 9.153 2.774 1.00 0.00 O ATOM 225 CB ASP A 19 3.605 11.801 4.390 1.00 0.00 C ATOM 226 CG ASP A 19 4.308 11.728 5.731 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.435 12.256 5.840 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.731 11.144 6.672 1.00 0.00 O ATOM 0 H ASP A 19 3.632 12.254 1.968 1.00 0.00 H new ATOM 0 HA ASP A 19 5.228 10.649 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.700 12.810 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.541 11.613 4.530 1.00 0.00 H new ATOM 233 N THR A 20 3.893 8.660 4.492 1.00 0.00 N ATOM 234 CA THR A 20 3.298 7.351 4.732 1.00 0.00 C ATOM 235 C THR A 20 1.781 7.405 4.600 1.00 0.00 C ATOM 236 O THR A 20 1.105 8.212 5.238 1.00 0.00 O ATOM 237 CB THR A 20 3.661 6.818 6.131 1.00 0.00 C ATOM 238 OG1 THR A 20 4.969 7.267 6.502 1.00 0.00 O ATOM 239 CG2 THR A 20 3.615 5.298 6.159 1.00 0.00 C ATOM 0 H THR A 20 4.659 8.897 5.122 1.00 0.00 H new ATOM 0 HA THR A 20 3.702 6.676 3.977 1.00 0.00 H new ATOM 0 HB THR A 20 2.930 7.202 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.257 6.801 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.875 4.944 7.157 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.611 4.960 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.327 4.899 5.436 1.00 0.00 H new ATOM 247 N PRO A 21 1.229 6.524 3.751 1.00 0.00 N ATOM 248 CA PRO A 21 -0.216 6.450 3.516 1.00 0.00 C ATOM 249 C PRO A 21 -0.973 5.909 4.724 1.00 0.00 C ATOM 250 O PRO A 21 -0.514 4.984 5.395 1.00 0.00 O ATOM 251 CB PRO A 21 -0.334 5.484 2.335 1.00 0.00 C ATOM 252 CG PRO A 21 0.892 4.641 2.410 1.00 0.00 C ATOM 253 CD PRO A 21 1.973 5.532 2.957 1.00 0.00 C ATOM 0 HA PRO A 21 -0.649 7.432 3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.237 4.877 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.388 6.021 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.733 3.778 3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.163 4.257 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.680 4.975 3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.546 6.004 2.159 1.00 0.00 H new ATOM 261 N THR A 22 -2.137 6.492 4.997 1.00 0.00 N ATOM 262 CA THR A 22 -2.957 6.069 6.125 1.00 0.00 C ATOM 263 C THR A 22 -3.202 4.565 6.093 1.00 0.00 C ATOM 264 O THR A 22 -2.823 3.885 5.139 1.00 0.00 O ATOM 265 CB THR A 22 -4.314 6.798 6.137 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.170 8.111 5.585 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.864 6.894 7.552 1.00 0.00 C ATOM 0 H THR A 22 -2.532 7.258 4.452 1.00 0.00 H new ATOM 0 HA THR A 22 -2.406 6.326 7.030 1.00 0.00 H new ATOM 0 HB THR A 22 -5.015 6.225 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.920 8.672 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.823 7.413 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.001 5.892 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.163 7.447 8.178 1.00 0.00 H new ATOM 275 N ARG A 23 -3.837 4.051 7.142 1.00 0.00 N ATOM 276 CA ARG A 23 -4.131 2.626 7.234 1.00 0.00 C ATOM 277 C ARG A 23 -4.792 2.124 5.954 1.00 0.00 C ATOM 278 O ARG A 23 -5.270 2.913 5.137 1.00 0.00 O ATOM 279 CB ARG A 23 -5.040 2.348 8.433 1.00 0.00 C ATOM 280 CG ARG A 23 -4.463 2.821 9.757 1.00 0.00 C ATOM 281 CD ARG A 23 -5.386 2.485 10.918 1.00 0.00 C ATOM 282 NE ARG A 23 -4.787 2.820 12.207 1.00 0.00 N ATOM 283 CZ ARG A 23 -5.422 2.694 13.367 1.00 0.00 C ATOM 284 NH1 ARG A 23 -6.668 2.243 13.399 1.00 0.00 N ATOM 285 NH2 ARG A 23 -4.810 3.020 14.499 1.00 0.00 N ATOM 0 H ARG A 23 -4.157 4.600 7.940 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.189 2.094 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.001 2.836 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.232 1.277 8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.490 2.357 9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.300 3.898 9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.325 3.026 10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.626 1.422 10.895 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.829 3.170 12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.142 1.992 12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.153 2.147 14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.851 3.368 14.479 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.298 2.923 15.389 1.00 0.00 H new ATOM 299 N LEU A 24 -4.816 0.806 5.784 1.00 0.00 N ATOM 300 CA LEU A 24 -5.418 0.198 4.603 1.00 0.00 C ATOM 301 C LEU A 24 -6.729 -0.498 4.956 1.00 0.00 C ATOM 302 O LEU A 24 -6.917 -0.954 6.084 1.00 0.00 O ATOM 303 CB LEU A 24 -4.450 -0.804 3.972 1.00 0.00 C ATOM 304 CG LEU A 24 -2.961 -0.510 4.160 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.118 -1.661 3.633 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.583 0.791 3.467 1.00 0.00 C ATOM 0 H LEU A 24 -4.426 0.139 6.449 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.631 0.991 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.660 -1.791 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.657 -0.855 2.903 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.764 -0.401 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.062 -1.433 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.369 -2.573 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.319 -1.802 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.520 0.985 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.796 0.711 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.162 1.611 3.892 1.00 0.00 H new ATOM 318 N VAL A 25 -7.632 -0.577 3.984 1.00 0.00 N ATOM 319 CA VAL A 25 -8.924 -1.220 4.191 1.00 0.00 C ATOM 320 C VAL A 25 -9.054 -2.479 3.342 1.00 0.00 C ATOM 321 O VAL A 25 -8.928 -2.431 2.118 1.00 0.00 O ATOM 322 CB VAL A 25 -10.086 -0.265 3.856 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.402 -1.026 3.801 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.156 0.865 4.872 1.00 0.00 C ATOM 0 H VAL A 25 -7.493 -0.204 3.045 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.978 -1.490 5.246 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.904 0.171 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.212 -0.336 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.345 -1.797 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.594 -1.491 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.982 1.530 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.315 0.450 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.221 1.426 4.857 1.00 0.00 H new ATOM 334 N PHE A 26 -9.307 -3.606 3.999 1.00 0.00 N ATOM 335 CA PHE A 26 -9.454 -4.879 3.304 1.00 0.00 C ATOM 336 C PHE A 26 -10.919 -5.300 3.244 1.00 0.00 C ATOM 337 O PHE A 26 -11.635 -5.238 4.243 1.00 0.00 O ATOM 338 CB PHE A 26 -8.628 -5.963 4.001 1.00 0.00 C ATOM 339 CG PHE A 26 -7.218 -5.542 4.302 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.212 -5.722 3.367 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.899 -4.964 5.521 1.00 0.00 C ATOM 342 CE1 PHE A 26 -4.914 -5.336 3.642 1.00 0.00 C ATOM 343 CE2 PHE A 26 -5.603 -4.576 5.801 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.609 -4.761 4.860 1.00 0.00 C ATOM 0 H PHE A 26 -9.414 -3.663 5.012 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.089 -4.752 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.122 -6.242 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.606 -6.853 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.445 -6.169 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.672 -4.815 6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.139 -5.484 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.367 -4.128 6.755 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.596 -4.457 5.076 1.00 0.00 H new ATOM 354 N SER A 27 -11.358 -5.728 2.065 1.00 0.00 N ATOM 355 CA SER A 27 -12.739 -6.156 1.872 1.00 0.00 C ATOM 356 C SER A 27 -12.861 -7.671 1.997 1.00 0.00 C ATOM 357 O SER A 27 -13.812 -8.181 2.588 1.00 0.00 O ATOM 358 CB SER A 27 -13.248 -5.703 0.502 1.00 0.00 C ATOM 359 OG SER A 27 -14.654 -5.859 0.404 1.00 0.00 O ATOM 0 H SER A 27 -10.777 -5.788 1.229 1.00 0.00 H new ATOM 0 HA SER A 27 -13.349 -5.695 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.982 -4.659 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.759 -6.282 -0.281 1.00 0.00 H new ATOM 0 HG SER A 27 -14.955 -5.561 -0.480 1.00 0.00 H new ATOM 365 N ALA A 28 -11.890 -8.385 1.437 1.00 0.00 N ATOM 366 CA ALA A 28 -11.887 -9.842 1.487 1.00 0.00 C ATOM 367 C ALA A 28 -13.092 -10.419 0.753 1.00 0.00 C ATOM 368 O ALA A 28 -13.848 -11.217 1.309 1.00 0.00 O ATOM 369 CB ALA A 28 -11.868 -10.320 2.931 1.00 0.00 C ATOM 0 H ALA A 28 -11.095 -7.978 0.944 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.986 -10.196 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.866 -11.410 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.972 -9.945 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.752 -9.948 3.449 1.00 0.00 H new ATOM 375 N LEU A 29 -13.267 -10.012 -0.500 1.00 0.00 N ATOM 376 CA LEU A 29 -14.382 -10.488 -1.311 1.00 0.00 C ATOM 377 C LEU A 29 -14.593 -11.987 -1.119 1.00 0.00 C ATOM 378 O LEU A 29 -15.712 -12.486 -1.231 1.00 0.00 O ATOM 379 CB LEU A 29 -14.131 -10.182 -2.788 1.00 0.00 C ATOM 380 CG LEU A 29 -14.005 -8.703 -3.155 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.822 -7.845 -2.201 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.546 -8.273 -3.145 1.00 0.00 C ATOM 0 H LEU A 29 -12.651 -9.353 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.283 -9.968 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.217 -10.691 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.945 -10.612 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.397 -8.564 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.720 -6.796 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.871 -8.135 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.461 -7.988 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.476 -7.218 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.128 -8.427 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.987 -8.866 -3.869 1.00 0.00 H new ATOM 394 N GLY A 30 -13.509 -12.700 -0.829 1.00 0.00 N ATOM 395 CA GLY A 30 -13.597 -14.134 -0.624 1.00 0.00 C ATOM 396 C GLY A 30 -12.341 -14.709 0.000 1.00 0.00 C ATOM 397 O GLY A 30 -11.488 -13.983 0.512 1.00 0.00 O ATOM 0 H GLY A 30 -12.571 -12.310 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.451 -14.355 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.781 -14.624 -1.580 1.00 0.00 H new ATOM 401 N PRO A 31 -12.215 -16.044 -0.037 1.00 0.00 N ATOM 402 CA PRO A 31 -11.058 -16.745 0.526 1.00 0.00 C ATOM 403 C PRO A 31 -9.786 -16.505 -0.281 1.00 0.00 C ATOM 404 O PRO A 31 -8.679 -16.547 0.258 1.00 0.00 O ATOM 405 CB PRO A 31 -11.466 -18.219 0.453 1.00 0.00 C ATOM 406 CG PRO A 31 -12.458 -18.283 -0.657 1.00 0.00 C ATOM 407 CD PRO A 31 -13.193 -16.971 -0.631 1.00 0.00 C ATOM 0 HA PRO A 31 -10.825 -16.402 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.606 -18.858 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.902 -18.556 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.962 -18.433 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.145 -19.118 -0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.489 -16.656 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.103 -17.032 -0.034 1.00 0.00 H new ATOM 415 N THR A 32 -9.950 -16.252 -1.575 1.00 0.00 N ATOM 416 CA THR A 32 -8.816 -16.006 -2.456 1.00 0.00 C ATOM 417 C THR A 32 -8.920 -14.636 -3.118 1.00 0.00 C ATOM 418 O THR A 32 -8.317 -14.394 -4.163 1.00 0.00 O ATOM 419 CB THR A 32 -8.709 -17.085 -3.550 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.987 -17.290 -4.163 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.203 -18.396 -2.969 1.00 0.00 C ATOM 0 H THR A 32 -10.859 -16.212 -2.037 1.00 0.00 H new ATOM 0 HA THR A 32 -7.921 -16.039 -1.835 1.00 0.00 H new ATOM 0 HB THR A 32 -7.998 -16.741 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.910 -17.976 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.136 -19.143 -3.760 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.217 -18.243 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.893 -18.743 -2.200 1.00 0.00 H new ATOM 429 N SER A 33 -9.688 -13.744 -2.501 1.00 0.00 N ATOM 430 CA SER A 33 -9.874 -12.398 -3.032 1.00 0.00 C ATOM 431 C SER A 33 -9.852 -11.364 -1.911 1.00 0.00 C ATOM 432 O SER A 33 -10.253 -11.646 -0.782 1.00 0.00 O ATOM 433 CB SER A 33 -11.195 -12.308 -3.799 1.00 0.00 C ATOM 434 OG SER A 33 -12.222 -13.022 -3.132 1.00 0.00 O ATOM 0 H SER A 33 -10.191 -13.929 -1.633 1.00 0.00 H new ATOM 0 HA SER A 33 -9.051 -12.186 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.486 -11.263 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.063 -12.708 -4.804 1.00 0.00 H new ATOM 0 HG SER A 33 -13.056 -12.948 -3.641 1.00 0.00 H new ATOM 440 N LEU A 34 -9.380 -10.164 -2.232 1.00 0.00 N ATOM 441 CA LEU A 34 -9.304 -9.085 -1.253 1.00 0.00 C ATOM 442 C LEU A 34 -9.310 -7.724 -1.941 1.00 0.00 C ATOM 443 O LEU A 34 -9.085 -7.626 -3.147 1.00 0.00 O ATOM 444 CB LEU A 34 -8.044 -9.232 -0.399 1.00 0.00 C ATOM 445 CG LEU A 34 -8.200 -10.030 0.896 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.900 -10.739 1.246 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.636 -9.119 2.034 1.00 0.00 C ATOM 0 H LEU A 34 -9.044 -9.914 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.181 -9.150 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.272 -9.708 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.682 -8.235 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.972 -10.785 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.030 -11.302 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.630 -11.422 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.108 -10.002 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.742 -9.704 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.887 -8.342 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.592 -8.658 1.785 1.00 0.00 H new ATOM 459 N ARG A 35 -9.568 -6.676 -1.166 1.00 0.00 N ATOM 460 CA ARG A 35 -9.602 -5.320 -1.701 1.00 0.00 C ATOM 461 C ARG A 35 -8.937 -4.339 -0.739 1.00 0.00 C ATOM 462 O ARG A 35 -9.507 -3.980 0.291 1.00 0.00 O ATOM 463 CB ARG A 35 -11.046 -4.890 -1.966 1.00 0.00 C ATOM 464 CG ARG A 35 -11.164 -3.525 -2.625 1.00 0.00 C ATOM 465 CD ARG A 35 -12.611 -3.062 -2.692 1.00 0.00 C ATOM 466 NE ARG A 35 -12.738 -1.759 -3.339 1.00 0.00 N ATOM 467 CZ ARG A 35 -12.564 -0.604 -2.706 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.255 -0.591 -1.416 1.00 0.00 N ATOM 469 NH2 ARG A 35 -12.698 0.541 -3.362 1.00 0.00 N ATOM 0 H ARG A 35 -9.757 -6.740 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.049 -5.313 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.527 -5.634 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.591 -4.877 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.574 -2.798 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.748 -3.568 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.202 -3.797 -3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.022 -3.008 -1.684 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.973 -1.734 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.150 -1.469 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.122 0.297 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.935 0.536 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.564 1.427 -2.874 1.00 0.00 H new ATOM 483 N VAL A 36 -7.726 -3.910 -1.083 1.00 0.00 N ATOM 484 CA VAL A 36 -6.983 -2.971 -0.252 1.00 0.00 C ATOM 485 C VAL A 36 -7.232 -1.533 -0.691 1.00 0.00 C ATOM 486 O VAL A 36 -7.145 -1.210 -1.875 1.00 0.00 O ATOM 487 CB VAL A 36 -5.470 -3.256 -0.299 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.686 -2.069 0.239 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.142 -4.520 0.482 1.00 0.00 C ATOM 0 H VAL A 36 -7.239 -4.198 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.338 -3.102 0.770 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.179 -3.412 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.619 -2.289 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.899 -1.188 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.978 -1.878 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.069 -4.707 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.447 -4.395 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.675 -5.365 0.047 1.00 0.00 H new ATOM 499 N SER A 37 -7.542 -0.671 0.273 1.00 0.00 N ATOM 500 CA SER A 37 -7.807 0.734 -0.014 1.00 0.00 C ATOM 501 C SER A 37 -7.068 1.638 0.969 1.00 0.00 C ATOM 502 O SER A 37 -7.077 1.398 2.176 1.00 0.00 O ATOM 503 CB SER A 37 -9.310 1.014 0.049 1.00 0.00 C ATOM 504 OG SER A 37 -9.564 2.400 0.201 1.00 0.00 O ATOM 0 H SER A 37 -7.616 -0.921 1.259 1.00 0.00 H new ATOM 0 HA SER A 37 -7.446 0.949 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.789 0.651 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.751 0.467 0.882 1.00 0.00 H new ATOM 0 HG SER A 37 -8.997 2.906 -0.418 1.00 0.00 H new ATOM 510 N TRP A 38 -6.430 2.676 0.442 1.00 0.00 N ATOM 511 CA TRP A 38 -5.686 3.617 1.271 1.00 0.00 C ATOM 512 C TRP A 38 -6.255 5.025 1.142 1.00 0.00 C ATOM 513 O TRP A 38 -7.271 5.235 0.480 1.00 0.00 O ATOM 514 CB TRP A 38 -4.207 3.613 0.881 1.00 0.00 C ATOM 515 CG TRP A 38 -3.982 3.706 -0.598 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.517 4.788 -1.290 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.215 2.678 -1.566 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.447 4.494 -2.630 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.869 3.205 -2.826 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.680 1.362 -1.492 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.975 2.462 -3.998 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.785 0.626 -2.657 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.433 1.177 -3.896 1.00 0.00 C ATOM 0 H TRP A 38 -6.413 2.888 -0.556 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.781 3.301 2.310 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.707 4.449 1.370 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.742 2.701 1.255 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.244 5.735 -0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.132 5.132 -3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.952 0.928 -0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.705 2.885 -4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.145 -0.391 -2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.525 0.575 -4.788 1.00 0.00 H new ATOM 534 N GLN A 39 -5.593 5.987 1.778 1.00 0.00 N ATOM 535 CA GLN A 39 -6.035 7.376 1.733 1.00 0.00 C ATOM 536 C GLN A 39 -4.950 8.274 1.148 1.00 0.00 C ATOM 537 O GLN A 39 -3.843 8.352 1.680 1.00 0.00 O ATOM 538 CB GLN A 39 -6.412 7.859 3.134 1.00 0.00 C ATOM 539 CG GLN A 39 -7.036 9.245 3.153 1.00 0.00 C ATOM 540 CD GLN A 39 -6.888 9.934 4.495 1.00 0.00 C ATOM 541 OE1 GLN A 39 -6.267 10.992 4.598 1.00 0.00 O ATOM 542 NE2 GLN A 39 -7.460 9.336 5.534 1.00 0.00 N ATOM 0 H GLN A 39 -4.750 5.830 2.330 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.913 7.431 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.110 7.149 3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.520 7.863 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.572 9.859 2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.094 9.166 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.965 8.460 5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.394 9.753 6.462 1.00 0.00 H new ATOM 551 N GLU A 40 -5.275 8.948 0.049 1.00 0.00 N ATOM 552 CA GLU A 40 -4.327 9.840 -0.608 1.00 0.00 C ATOM 553 C GLU A 40 -3.535 10.644 0.419 1.00 0.00 C ATOM 554 O GLU A 40 -4.036 11.594 1.021 1.00 0.00 O ATOM 555 CB GLU A 40 -5.059 10.788 -1.560 1.00 0.00 C ATOM 556 CG GLU A 40 -4.130 11.584 -2.460 1.00 0.00 C ATOM 557 CD GLU A 40 -4.817 12.774 -3.101 1.00 0.00 C ATOM 558 OE1 GLU A 40 -6.057 12.740 -3.241 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.113 13.741 -3.462 1.00 0.00 O ATOM 0 H GLU A 40 -6.187 8.893 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.630 9.229 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.744 10.209 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.665 11.480 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.277 11.932 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.739 10.931 -3.240 1.00 0.00 H new ATOM 566 N PRO A 41 -2.267 10.256 0.624 1.00 0.00 N ATOM 567 CA PRO A 41 -1.379 10.926 1.578 1.00 0.00 C ATOM 568 C PRO A 41 -0.978 12.323 1.113 1.00 0.00 C ATOM 569 O PRO A 41 -1.297 12.730 -0.004 1.00 0.00 O ATOM 570 CB PRO A 41 -0.155 10.008 1.628 1.00 0.00 C ATOM 571 CG PRO A 41 -0.158 9.300 0.317 1.00 0.00 C ATOM 572 CD PRO A 41 -1.605 9.132 -0.059 1.00 0.00 C ATOM 0 HA PRO A 41 -1.858 11.074 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.763 10.579 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.222 9.304 2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.377 9.875 -0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.340 8.334 0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.748 9.178 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.998 8.171 0.274 1.00 0.00 H new ATOM 580 N ARG A 42 -0.279 13.051 1.978 1.00 0.00 N ATOM 581 CA ARG A 42 0.164 14.402 1.656 1.00 0.00 C ATOM 582 C ARG A 42 1.395 14.370 0.754 1.00 0.00 C ATOM 583 O ARG A 42 2.270 13.519 0.912 1.00 0.00 O ATOM 584 CB ARG A 42 0.476 15.178 2.937 1.00 0.00 C ATOM 585 CG ARG A 42 1.704 14.667 3.674 1.00 0.00 C ATOM 586 CD ARG A 42 2.310 15.745 4.559 1.00 0.00 C ATOM 587 NE ARG A 42 3.202 16.629 3.812 1.00 0.00 N ATOM 588 CZ ARG A 42 4.079 17.443 4.387 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.183 17.486 5.708 1.00 0.00 N ATOM 590 NH2 ARG A 42 4.856 18.217 3.640 1.00 0.00 N ATOM 0 H ARG A 42 -0.008 12.728 2.907 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.643 14.905 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.623 16.229 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.385 15.125 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.432 13.805 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.447 14.326 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.512 16.334 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.862 15.277 5.374 1.00 0.00 H new ATOM 0 HE ARG A 42 3.148 16.620 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.588 16.892 6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.858 18.113 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.780 18.187 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.530 18.842 4.082 1.00 0.00 H new ATOM 604 N CYS A 43 1.454 15.303 -0.190 1.00 0.00 N ATOM 605 CA CYS A 43 2.577 15.381 -1.118 1.00 0.00 C ATOM 606 C CYS A 43 2.571 16.710 -1.867 1.00 0.00 C ATOM 607 O CYS A 43 1.624 17.022 -2.588 1.00 0.00 O ATOM 608 CB CYS A 43 2.525 14.220 -2.112 1.00 0.00 C ATOM 609 SG CYS A 43 1.032 14.187 -3.131 1.00 0.00 S ATOM 0 H CYS A 43 0.738 16.015 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 43 3.500 15.314 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.396 14.275 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.598 13.282 -1.562 1.00 0.00 H new ATOM 0 HG CYS A 43 1.330 14.531 -4.349 1.00 0.00 H new ATOM 615 N GLU A 44 3.634 17.488 -1.690 1.00 0.00 N ATOM 616 CA GLU A 44 3.749 18.784 -2.348 1.00 0.00 C ATOM 617 C GLU A 44 3.648 18.636 -3.864 1.00 0.00 C ATOM 618 O GLU A 44 3.231 19.560 -4.562 1.00 0.00 O ATOM 619 CB GLU A 44 5.074 19.453 -1.978 1.00 0.00 C ATOM 620 CG GLU A 44 5.096 20.949 -2.243 1.00 0.00 C ATOM 621 CD GLU A 44 6.443 21.576 -1.939 1.00 0.00 C ATOM 622 OE1 GLU A 44 7.436 21.196 -2.594 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.503 22.447 -1.046 1.00 0.00 O ATOM 0 H GLU A 44 4.427 17.244 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 44 2.925 19.410 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.278 19.277 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.879 18.981 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.841 21.133 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.329 21.433 -1.638 1.00 0.00 H new ATOM 630 N ARG A 45 4.033 17.466 -4.365 1.00 0.00 N ATOM 631 CA ARG A 45 3.988 17.197 -5.797 1.00 0.00 C ATOM 632 C ARG A 45 2.827 16.267 -6.139 1.00 0.00 C ATOM 633 O ARG A 45 2.378 15.467 -5.318 1.00 0.00 O ATOM 634 CB ARG A 45 5.306 16.577 -6.263 1.00 0.00 C ATOM 635 CG ARG A 45 6.522 17.442 -5.974 1.00 0.00 C ATOM 636 CD ARG A 45 6.606 18.622 -6.930 1.00 0.00 C ATOM 637 NE ARG A 45 7.611 19.595 -6.512 1.00 0.00 N ATOM 638 CZ ARG A 45 7.845 20.733 -7.156 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.148 21.039 -8.242 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.777 21.567 -6.714 1.00 0.00 N ATOM 0 H ARG A 45 4.379 16.690 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 45 3.837 18.144 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.435 15.610 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.251 16.390 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.475 17.806 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.427 16.840 -6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.845 18.261 -7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.633 19.109 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 45 8.164 19.390 -5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.430 20.400 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.329 21.913 -8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.315 21.335 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.956 22.441 -7.209 1.00 0.00 H new ATOM 654 N PRO A 46 2.329 16.374 -7.379 1.00 0.00 N ATOM 655 CA PRO A 46 1.214 15.550 -7.858 1.00 0.00 C ATOM 656 C PRO A 46 1.609 14.088 -8.037 1.00 0.00 C ATOM 657 O PRO A 46 2.620 13.780 -8.668 1.00 0.00 O ATOM 658 CB PRO A 46 0.864 16.179 -9.209 1.00 0.00 C ATOM 659 CG PRO A 46 2.123 16.835 -9.660 1.00 0.00 C ATOM 660 CD PRO A 46 2.815 17.306 -8.410 1.00 0.00 C ATOM 0 HA PRO A 46 0.384 15.535 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.533 15.425 -9.923 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.054 16.902 -9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.750 16.137 -10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.911 17.671 -10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.899 17.264 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.557 18.338 -8.172 1.00 0.00 H new ATOM 668 N LEU A 47 0.804 13.191 -7.479 1.00 0.00 N ATOM 669 CA LEU A 47 1.069 11.760 -7.577 1.00 0.00 C ATOM 670 C LEU A 47 0.773 11.247 -8.983 1.00 0.00 C ATOM 671 O LEU A 47 -0.124 11.748 -9.660 1.00 0.00 O ATOM 672 CB LEU A 47 0.227 10.994 -6.555 1.00 0.00 C ATOM 673 CG LEU A 47 0.321 11.480 -5.108 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.916 11.068 -4.325 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.580 10.940 -4.445 1.00 0.00 C ATOM 0 H LEU A 47 -0.038 13.429 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 47 2.125 11.596 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.817 11.041 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.522 9.945 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 47 0.376 12.569 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.831 11.422 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.801 11.504 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.003 9.982 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.631 11.296 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.556 9.850 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.457 11.287 -4.992 1.00 0.00 H new ATOM 687 N GLN A 48 1.532 10.244 -9.413 1.00 0.00 N ATOM 688 CA GLN A 48 1.350 9.662 -10.738 1.00 0.00 C ATOM 689 C GLN A 48 0.537 8.374 -10.659 1.00 0.00 C ATOM 690 O GLN A 48 -0.154 8.006 -11.608 1.00 0.00 O ATOM 691 CB GLN A 48 2.707 9.385 -11.387 1.00 0.00 C ATOM 692 CG GLN A 48 3.437 10.642 -11.831 1.00 0.00 C ATOM 693 CD GLN A 48 4.918 10.407 -12.058 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.307 9.565 -12.868 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.752 11.152 -11.343 1.00 0.00 N ATOM 0 H GLN A 48 2.278 9.818 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 48 0.802 10.378 -11.351 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.334 8.841 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.562 8.735 -12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.987 11.013 -12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.307 11.418 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.385 11.838 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.760 11.039 -11.453 1.00 0.00 H new ATOM 704 N GLY A 49 0.626 7.692 -9.522 1.00 0.00 N ATOM 705 CA GLY A 49 -0.105 6.452 -9.341 1.00 0.00 C ATOM 706 C GLY A 49 0.002 5.916 -7.927 1.00 0.00 C ATOM 707 O GLY A 49 0.007 6.683 -6.964 1.00 0.00 O ATOM 0 H GLY A 49 1.192 7.976 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.155 6.614 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.274 5.705 -10.039 1.00 0.00 H new ATOM 711 N TYR A 50 0.087 4.596 -7.801 1.00 0.00 N ATOM 712 CA TYR A 50 0.190 3.958 -6.494 1.00 0.00 C ATOM 713 C TYR A 50 0.800 2.565 -6.615 1.00 0.00 C ATOM 714 O TYR A 50 0.896 2.010 -7.709 1.00 0.00 O ATOM 715 CB TYR A 50 -1.188 3.868 -5.837 1.00 0.00 C ATOM 716 CG TYR A 50 -1.643 5.164 -5.203 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.990 5.682 -4.091 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.725 5.869 -5.716 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.403 6.865 -3.509 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.143 7.053 -5.141 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.479 7.547 -4.037 1.00 0.00 C ATOM 722 OH TYR A 50 -2.893 8.726 -3.461 1.00 0.00 O ATOM 0 H TYR A 50 0.087 3.947 -8.588 1.00 0.00 H new ATOM 0 HA TYR A 50 0.843 4.568 -5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.919 3.563 -6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.168 3.088 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.146 5.151 -3.675 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.248 5.484 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.886 7.254 -2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.985 7.589 -5.553 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.872 8.759 -3.452 1.00 0.00 H new ATOM 732 N SER A 51 1.212 2.007 -5.481 1.00 0.00 N ATOM 733 CA SER A 51 1.816 0.680 -5.458 1.00 0.00 C ATOM 734 C SER A 51 1.317 -0.124 -4.261 1.00 0.00 C ATOM 735 O SER A 51 1.157 0.409 -3.164 1.00 0.00 O ATOM 736 CB SER A 51 3.341 0.792 -5.411 1.00 0.00 C ATOM 737 OG SER A 51 3.889 0.847 -6.716 1.00 0.00 O ATOM 0 H SER A 51 1.139 2.453 -4.567 1.00 0.00 H new ATOM 0 HA SER A 51 1.524 0.159 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.626 1.686 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.755 -0.062 -4.875 1.00 0.00 H new ATOM 0 HG SER A 51 4.359 1.698 -6.838 1.00 0.00 H new ATOM 743 N VAL A 52 1.072 -1.412 -4.482 1.00 0.00 N ATOM 744 CA VAL A 52 0.591 -2.291 -3.423 1.00 0.00 C ATOM 745 C VAL A 52 1.369 -3.602 -3.402 1.00 0.00 C ATOM 746 O VAL A 52 1.220 -4.438 -4.293 1.00 0.00 O ATOM 747 CB VAL A 52 -0.909 -2.600 -3.588 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.403 -3.474 -2.445 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.712 -1.310 -3.669 1.00 0.00 C ATOM 0 H VAL A 52 1.199 -1.869 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 52 0.745 -1.765 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.049 -3.148 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.465 -3.682 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.848 -4.412 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.251 -2.955 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.770 -1.546 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.568 -0.734 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.375 -0.725 -4.524 1.00 0.00 H new ATOM 759 N GLU A 53 2.199 -3.775 -2.378 1.00 0.00 N ATOM 760 CA GLU A 53 3.001 -4.985 -2.242 1.00 0.00 C ATOM 761 C GLU A 53 2.410 -5.913 -1.184 1.00 0.00 C ATOM 762 O GLU A 53 2.018 -5.471 -0.104 1.00 0.00 O ATOM 763 CB GLU A 53 4.443 -4.630 -1.876 1.00 0.00 C ATOM 764 CG GLU A 53 5.331 -4.370 -3.081 1.00 0.00 C ATOM 765 CD GLU A 53 6.566 -3.562 -2.733 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.412 -2.455 -2.175 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.685 -4.035 -3.017 1.00 0.00 O ATOM 0 H GLU A 53 2.333 -3.093 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 53 2.995 -5.504 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.440 -3.745 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.870 -5.443 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.635 -5.322 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.758 -3.841 -3.842 1.00 0.00 H new ATOM 774 N TYR A 54 2.349 -7.201 -1.504 1.00 0.00 N ATOM 775 CA TYR A 54 1.803 -8.192 -0.583 1.00 0.00 C ATOM 776 C TYR A 54 2.625 -9.477 -0.616 1.00 0.00 C ATOM 777 O TYR A 54 3.096 -9.897 -1.672 1.00 0.00 O ATOM 778 CB TYR A 54 0.346 -8.497 -0.934 1.00 0.00 C ATOM 779 CG TYR A 54 0.187 -9.361 -2.164 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.510 -10.712 -2.134 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.284 -8.827 -3.357 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.367 -11.506 -3.256 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.432 -9.613 -4.483 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.104 -10.952 -4.428 1.00 0.00 C ATOM 785 OH TYR A 54 -0.248 -11.739 -5.548 1.00 0.00 O ATOM 0 H TYR A 54 2.671 -7.583 -2.393 1.00 0.00 H new ATOM 0 HA TYR A 54 1.848 -7.778 0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.126 -8.995 -0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.186 -7.558 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.879 -11.149 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.539 -7.779 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.623 -12.555 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.802 -9.182 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.591 -11.196 -6.288 1.00 0.00 H new ATOM 795 N GLN A 55 2.791 -10.095 0.549 1.00 0.00 N ATOM 796 CA GLN A 55 3.556 -11.331 0.655 1.00 0.00 C ATOM 797 C GLN A 55 3.215 -12.074 1.943 1.00 0.00 C ATOM 798 O GLN A 55 2.756 -11.473 2.915 1.00 0.00 O ATOM 799 CB GLN A 55 5.056 -11.034 0.605 1.00 0.00 C ATOM 800 CG GLN A 55 5.649 -10.670 1.957 1.00 0.00 C ATOM 801 CD GLN A 55 7.063 -10.134 1.849 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.355 -9.025 2.297 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.950 -10.921 1.251 1.00 0.00 N ATOM 0 H GLN A 55 2.406 -9.760 1.432 1.00 0.00 H new ATOM 0 HA GLN A 55 3.291 -11.966 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.578 -11.906 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.233 -10.215 -0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.017 -9.923 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.646 -11.550 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.664 -11.833 0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.917 -10.614 1.148 1.00 0.00 H new ATOM 812 N LEU A 56 3.441 -13.383 1.943 1.00 0.00 N ATOM 813 CA LEU A 56 3.158 -14.208 3.111 1.00 0.00 C ATOM 814 C LEU A 56 3.732 -13.578 4.376 1.00 0.00 C ATOM 815 O LEU A 56 4.946 -13.411 4.504 1.00 0.00 O ATOM 816 CB LEU A 56 3.735 -15.612 2.921 1.00 0.00 C ATOM 817 CG LEU A 56 2.810 -16.634 2.258 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.579 -17.894 1.896 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.639 -16.965 3.172 1.00 0.00 C ATOM 0 H LEU A 56 3.820 -13.896 1.147 1.00 0.00 H new ATOM 0 HA LEU A 56 2.076 -14.278 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.643 -15.532 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.029 -15.997 3.897 1.00 0.00 H new ATOM 0 HG LEU A 56 2.416 -16.198 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.904 -18.609 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.383 -17.643 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.002 -18.334 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.991 -17.693 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.014 -17.381 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.072 -16.058 3.380 1.00 0.00 H new ATOM 831 N LEU A 57 2.853 -13.230 5.309 1.00 0.00 N ATOM 832 CA LEU A 57 3.272 -12.620 6.566 1.00 0.00 C ATOM 833 C LEU A 57 4.556 -13.262 7.082 1.00 0.00 C ATOM 834 O LEU A 57 5.541 -12.575 7.350 1.00 0.00 O ATOM 835 CB LEU A 57 2.166 -12.752 7.614 1.00 0.00 C ATOM 836 CG LEU A 57 2.111 -11.651 8.674 1.00 0.00 C ATOM 837 CD1 LEU A 57 3.240 -11.820 9.678 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.175 -10.278 8.021 1.00 0.00 C ATOM 0 H LEU A 57 1.845 -13.360 5.219 1.00 0.00 H new ATOM 0 HA LEU A 57 3.465 -11.563 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.206 -12.781 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.285 -13.710 8.120 1.00 0.00 H new ATOM 0 HG LEU A 57 1.164 -11.733 9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.185 -11.028 10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.148 -12.789 10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.198 -11.765 9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.135 -9.507 8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.106 -10.184 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.330 -10.158 7.343 1.00 0.00 H new ATOM 850 N ASN A 58 4.538 -14.584 7.216 1.00 0.00 N ATOM 851 CA ASN A 58 5.701 -15.320 7.698 1.00 0.00 C ATOM 852 C ASN A 58 6.916 -15.058 6.812 1.00 0.00 C ATOM 853 O ASN A 58 8.008 -14.779 7.304 1.00 0.00 O ATOM 854 CB ASN A 58 5.401 -16.819 7.741 1.00 0.00 C ATOM 855 CG ASN A 58 4.842 -17.335 6.429 1.00 0.00 C ATOM 856 OD1 ASN A 58 3.688 -17.075 6.088 1.00 0.00 O ATOM 857 ND2 ASN A 58 5.661 -18.070 5.685 1.00 0.00 N ATOM 0 H ASN A 58 3.731 -15.168 6.998 1.00 0.00 H new ATOM 0 HA ASN A 58 5.927 -14.973 8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.314 -17.363 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.689 -17.021 8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.341 -18.444 4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.610 -18.260 6.007 1.00 0.00 H new ATOM 864 N GLY A 59 6.716 -15.150 5.501 1.00 0.00 N ATOM 865 CA GLY A 59 7.802 -14.920 4.567 1.00 0.00 C ATOM 866 C GLY A 59 7.731 -15.833 3.358 1.00 0.00 C ATOM 867 O GLY A 59 8.122 -16.997 3.428 1.00 0.00 O ATOM 0 H GLY A 59 5.821 -15.380 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.779 -13.882 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.754 -15.071 5.077 1.00 0.00 H new ATOM 871 N GLY A 60 7.229 -15.303 2.247 1.00 0.00 N ATOM 872 CA GLY A 60 7.115 -16.093 1.035 1.00 0.00 C ATOM 873 C GLY A 60 7.376 -15.276 -0.216 1.00 0.00 C ATOM 874 O GLY A 60 8.333 -14.505 -0.272 1.00 0.00 O ATOM 0 H GLY A 60 6.899 -14.341 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.821 -16.922 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.117 -16.527 0.980 1.00 0.00 H new ATOM 878 N GLU A 61 6.523 -15.447 -1.221 1.00 0.00 N ATOM 879 CA GLU A 61 6.669 -14.721 -2.477 1.00 0.00 C ATOM 880 C GLU A 61 6.094 -13.312 -2.361 1.00 0.00 C ATOM 881 O GLU A 61 4.994 -13.119 -1.843 1.00 0.00 O ATOM 882 CB GLU A 61 5.973 -15.476 -3.612 1.00 0.00 C ATOM 883 CG GLU A 61 6.612 -15.255 -4.972 1.00 0.00 C ATOM 884 CD GLU A 61 6.294 -16.366 -5.954 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.968 -17.416 -5.899 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.372 -16.186 -6.777 1.00 0.00 O ATOM 0 H GLU A 61 5.725 -16.081 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 61 7.733 -14.643 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.980 -16.542 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.929 -15.167 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.268 -14.305 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.693 -15.179 -4.853 1.00 0.00 H new ATOM 893 N LEU A 62 6.847 -12.331 -2.846 1.00 0.00 N ATOM 894 CA LEU A 62 6.414 -10.939 -2.797 1.00 0.00 C ATOM 895 C LEU A 62 5.883 -10.486 -4.153 1.00 0.00 C ATOM 896 O LEU A 62 6.558 -10.623 -5.174 1.00 0.00 O ATOM 897 CB LEU A 62 7.572 -10.039 -2.364 1.00 0.00 C ATOM 898 CG LEU A 62 7.275 -8.540 -2.313 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.100 -7.982 -3.717 1.00 0.00 C ATOM 900 CD2 LEU A 62 6.036 -8.270 -1.471 1.00 0.00 C ATOM 0 H LEU A 62 7.760 -12.474 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 62 5.608 -10.861 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.903 -10.357 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.406 -10.201 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 62 8.123 -8.037 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.889 -6.914 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.014 -8.142 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.271 -8.490 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.840 -7.198 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.180 -8.785 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.200 -8.633 -0.456 1.00 0.00 H new ATOM 912 N HIS A 63 4.670 -9.943 -4.157 1.00 0.00 N ATOM 913 CA HIS A 63 4.049 -9.466 -5.387 1.00 0.00 C ATOM 914 C HIS A 63 3.842 -7.955 -5.341 1.00 0.00 C ATOM 915 O HIS A 63 3.127 -7.443 -4.480 1.00 0.00 O ATOM 916 CB HIS A 63 2.710 -10.169 -5.614 1.00 0.00 C ATOM 917 CG HIS A 63 2.835 -11.650 -5.799 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.915 -12.249 -7.039 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.896 -12.654 -4.893 1.00 0.00 C ATOM 920 CE1 HIS A 63 3.018 -13.558 -6.887 1.00 0.00 C ATOM 921 NE2 HIS A 63 3.009 -13.829 -5.594 1.00 0.00 N ATOM 0 H HIS A 63 4.097 -9.822 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 63 4.718 -9.698 -6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.056 -9.971 -4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.229 -9.741 -6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.862 -12.550 -3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.096 -14.283 -7.684 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.075 -14.760 -5.183 1.00 0.00 H new ATOM 929 N ARG A 64 4.472 -7.248 -6.274 1.00 0.00 N ATOM 930 CA ARG A 64 4.358 -5.796 -6.338 1.00 0.00 C ATOM 931 C ARG A 64 3.293 -5.378 -7.348 1.00 0.00 C ATOM 932 O ARG A 64 3.362 -5.738 -8.524 1.00 0.00 O ATOM 933 CB ARG A 64 5.704 -5.174 -6.714 1.00 0.00 C ATOM 934 CG ARG A 64 5.714 -3.656 -6.645 1.00 0.00 C ATOM 935 CD ARG A 64 7.111 -3.097 -6.869 1.00 0.00 C ATOM 936 NE ARG A 64 7.077 -1.733 -7.389 1.00 0.00 N ATOM 937 CZ ARG A 64 6.873 -1.439 -8.669 1.00 0.00 C ATOM 938 NH1 ARG A 64 6.685 -2.409 -9.553 1.00 0.00 N ATOM 939 NH2 ARG A 64 6.857 -0.173 -9.066 1.00 0.00 N ATOM 0 H ARG A 64 5.066 -7.657 -6.995 1.00 0.00 H new ATOM 0 HA ARG A 64 4.061 -5.436 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.474 -5.565 -6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.969 -5.485 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.035 -3.252 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.343 -3.332 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.663 -3.113 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.650 -3.738 -7.567 1.00 0.00 H new ATOM 0 HE ARG A 64 7.217 -0.964 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.697 -3.383 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.529 -2.181 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.001 0.576 -8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.700 0.051 -10.049 1.00 0.00 H new ATOM 953 N LEU A 65 2.309 -4.617 -6.881 1.00 0.00 N ATOM 954 CA LEU A 65 1.229 -4.151 -7.743 1.00 0.00 C ATOM 955 C LEU A 65 1.392 -2.669 -8.067 1.00 0.00 C ATOM 956 O LEU A 65 1.747 -1.870 -7.202 1.00 0.00 O ATOM 957 CB LEU A 65 -0.125 -4.391 -7.072 1.00 0.00 C ATOM 958 CG LEU A 65 -0.401 -5.822 -6.611 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.634 -5.868 -5.722 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.571 -6.745 -7.810 1.00 0.00 C ATOM 0 H LEU A 65 2.237 -4.310 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 65 1.272 -4.715 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.202 -3.731 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.910 -4.097 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 65 0.454 -6.167 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.815 -6.895 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.475 -5.239 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.497 -5.503 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.767 -7.760 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.408 -6.401 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.340 -6.736 -8.408 1.00 0.00 H new ATOM 972 N ASN A 66 1.130 -2.311 -9.320 1.00 0.00 N ATOM 973 CA ASN A 66 1.246 -0.925 -9.759 1.00 0.00 C ATOM 974 C ASN A 66 -0.120 -0.353 -10.123 1.00 0.00 C ATOM 975 O ASN A 66 -0.999 -1.072 -10.599 1.00 0.00 O ATOM 976 CB ASN A 66 2.189 -0.826 -10.960 1.00 0.00 C ATOM 977 CG ASN A 66 3.637 -1.070 -10.579 1.00 0.00 C ATOM 978 OD1 ASN A 66 3.926 -1.666 -9.542 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.555 -0.609 -11.421 1.00 0.00 N ATOM 0 H ASN A 66 0.836 -2.961 -10.049 1.00 0.00 H new ATOM 0 HA ASN A 66 1.656 -0.342 -8.934 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.888 -1.551 -11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.096 0.162 -11.411 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.546 -0.744 -11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.269 -0.120 -12.270 1.00 0.00 H new ATOM 986 N ILE A 67 -0.291 0.945 -9.897 1.00 0.00 N ATOM 987 CA ILE A 67 -1.550 1.614 -10.202 1.00 0.00 C ATOM 988 C ILE A 67 -1.339 2.760 -11.186 1.00 0.00 C ATOM 989 O ILE A 67 -0.813 3.818 -10.841 1.00 0.00 O ATOM 990 CB ILE A 67 -2.220 2.163 -8.929 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.071 1.166 -7.778 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.688 2.463 -9.190 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.943 -0.061 -7.925 1.00 0.00 C ATOM 0 H ILE A 67 0.426 1.554 -9.504 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.203 0.866 -10.652 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.724 3.092 -8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.029 0.855 -7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.316 1.666 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.148 2.850 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.772 3.205 -9.984 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.198 1.549 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.786 -0.723 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.990 0.239 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.683 -0.584 -8.845 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.759 2.547 -12.442 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.629 3.551 -13.501 1.00 0.00 C ATOM 1007 C PRO A 68 -2.557 4.742 -13.288 1.00 0.00 C ATOM 1008 O PRO A 68 -2.614 5.652 -14.114 1.00 0.00 O ATOM 1009 CB PRO A 68 -2.024 2.786 -14.767 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.909 1.689 -14.285 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.395 1.309 -12.924 1.00 0.00 C ATOM 0 HA PRO A 68 -0.626 3.975 -13.538 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.544 3.432 -15.474 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.148 2.391 -15.281 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.946 2.019 -14.232 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.880 0.837 -14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.202 0.989 -12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.682 0.486 -12.979 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.283 4.730 -12.175 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.209 5.809 -11.854 1.00 0.00 C ATOM 1021 C ASN A 69 -3.946 6.353 -10.453 1.00 0.00 C ATOM 1022 O ASN A 69 -4.159 5.676 -9.447 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.654 5.318 -11.959 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.652 6.460 -11.997 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.385 7.514 -12.575 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.808 6.255 -11.378 1.00 0.00 N ATOM 0 H ASN A 69 -3.248 3.984 -11.480 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.053 6.614 -12.573 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.765 4.713 -12.859 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.878 4.672 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.518 6.987 -11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.986 5.365 -10.912 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.472 7.606 -10.383 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.170 8.269 -9.111 1.00 0.00 C ATOM 1035 C PRO A 70 -4.429 8.597 -8.316 1.00 0.00 C ATOM 1036 O PRO A 70 -4.353 9.069 -7.182 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.459 9.554 -9.541 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.957 9.820 -10.920 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.194 8.471 -11.542 1.00 0.00 C ATOM 0 HA PRO A 70 -2.575 7.636 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.694 10.380 -8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.376 9.430 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.876 10.406 -10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.228 10.392 -11.494 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.032 8.491 -12.239 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.323 8.127 -12.101 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.587 8.343 -8.918 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.862 8.609 -8.264 1.00 0.00 C ATOM 1049 C ALA A 71 -7.424 7.346 -7.621 1.00 0.00 C ATOM 1050 O ALA A 71 -8.177 7.416 -6.651 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.857 9.183 -9.262 1.00 0.00 C ATOM 0 H ALA A 71 -5.668 7.953 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.691 9.341 -7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.805 9.377 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.466 10.114 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.014 8.469 -10.071 1.00 0.00 H new ATOM 1057 N GLN A 72 -7.052 6.193 -8.169 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.521 4.914 -7.648 1.00 0.00 C ATOM 1059 C GLN A 72 -6.778 4.542 -6.369 1.00 0.00 C ATOM 1060 O GLN A 72 -5.652 4.044 -6.414 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.338 3.815 -8.696 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.565 2.413 -8.153 1.00 0.00 C ATOM 1063 CD GLN A 72 -7.021 1.337 -9.072 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -7.061 1.471 -10.296 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.510 0.260 -8.486 1.00 0.00 N ATOM 0 H GLN A 72 -6.428 6.118 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.581 5.012 -7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.028 3.992 -9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.330 3.879 -9.105 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.091 2.325 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.633 2.253 -8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.497 0.191 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.130 -0.498 -9.054 1.00 0.00 H new ATOM 1074 N THR A 73 -7.414 4.788 -5.228 1.00 0.00 N ATOM 1075 CA THR A 73 -6.813 4.480 -3.936 1.00 0.00 C ATOM 1076 C THR A 73 -7.325 3.150 -3.394 1.00 0.00 C ATOM 1077 O THR A 73 -7.440 2.966 -2.183 1.00 0.00 O ATOM 1078 CB THR A 73 -7.102 5.587 -2.904 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.513 5.700 -2.689 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.547 6.923 -3.374 1.00 0.00 C ATOM 0 H THR A 73 -8.346 5.200 -5.172 1.00 0.00 H new ATOM 0 HA THR A 73 -5.737 4.414 -4.096 1.00 0.00 H new ATOM 0 HB THR A 73 -6.613 5.317 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.688 6.404 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.763 7.689 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.468 6.842 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.011 7.197 -4.321 1.00 0.00 H new ATOM 1088 N SER A 74 -7.630 2.226 -4.299 1.00 0.00 N ATOM 1089 CA SER A 74 -8.133 0.913 -3.912 1.00 0.00 C ATOM 1090 C SER A 74 -7.865 -0.116 -5.006 1.00 0.00 C ATOM 1091 O SER A 74 -8.170 0.112 -6.177 1.00 0.00 O ATOM 1092 CB SER A 74 -9.633 0.984 -3.619 1.00 0.00 C ATOM 1093 OG SER A 74 -10.336 1.574 -4.698 1.00 0.00 O ATOM 0 H SER A 74 -7.538 2.362 -5.306 1.00 0.00 H new ATOM 0 HA SER A 74 -7.608 0.602 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.019 -0.019 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.802 1.563 -2.711 1.00 0.00 H new ATOM 0 HG SER A 74 -9.915 1.314 -5.544 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.292 -1.250 -4.616 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.984 -2.316 -5.562 1.00 0.00 C ATOM 1101 C VAL A 75 -7.463 -3.667 -5.043 1.00 0.00 C ATOM 1102 O VAL A 75 -7.401 -3.942 -3.845 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.472 -2.394 -5.845 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.710 -2.768 -4.583 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.191 -3.388 -6.962 1.00 0.00 C ATOM 0 H VAL A 75 -7.032 -1.454 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.508 -2.079 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.129 -1.411 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.644 -2.818 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.887 -2.015 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.053 -3.739 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.118 -3.431 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.548 -4.375 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.705 -3.071 -7.869 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.942 -4.508 -5.954 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.431 -5.833 -5.589 1.00 0.00 C ATOM 1117 C VAL A 76 -7.341 -6.886 -5.755 1.00 0.00 C ATOM 1118 O VAL A 76 -6.826 -7.095 -6.853 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.651 -6.234 -6.439 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.058 -7.670 -6.144 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.810 -5.280 -6.191 1.00 0.00 C ATOM 0 H VAL A 76 -8.002 -4.296 -6.950 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.728 -5.784 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.376 -6.169 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.922 -7.936 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.229 -8.338 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.315 -7.766 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.663 -5.578 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.087 -5.311 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.511 -4.267 -6.458 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.993 -7.548 -4.656 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.965 -8.581 -4.679 1.00 0.00 C ATOM 1133 C VAL A 77 -6.586 -9.972 -4.746 1.00 0.00 C ATOM 1134 O VAL A 77 -7.524 -10.280 -4.011 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.056 -8.496 -3.438 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.999 -9.589 -3.474 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.410 -7.122 -3.344 1.00 0.00 C ATOM 0 H VAL A 77 -7.408 -7.387 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.364 -8.410 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.669 -8.646 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.367 -9.513 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.485 -10.565 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.387 -9.474 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.771 -7.080 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.810 -6.940 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.185 -6.360 -3.267 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.055 -10.809 -5.632 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.557 -12.168 -5.796 1.00 0.00 C ATOM 1149 C GLU A 78 -5.407 -13.159 -5.945 1.00 0.00 C ATOM 1150 O GLU A 78 -4.239 -12.771 -5.975 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.479 -12.251 -7.014 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.780 -11.485 -6.847 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.895 -12.031 -7.719 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -9.653 -12.252 -8.923 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -11.009 -12.237 -7.194 1.00 0.00 O ATOM 0 H GLU A 78 -5.277 -10.570 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.124 -12.429 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.950 -11.866 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.707 -13.298 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.089 -11.524 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.613 -10.436 -7.091 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.746 -14.440 -6.038 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.743 -15.488 -6.185 1.00 0.00 C ATOM 1164 C ASP A 79 -3.926 -15.641 -4.905 1.00 0.00 C ATOM 1165 O ASP A 79 -2.697 -15.720 -4.946 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.817 -15.176 -7.361 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.582 -14.820 -8.621 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -4.969 -13.642 -8.766 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.794 -15.719 -9.461 1.00 0.00 O ATOM 0 H ASP A 79 -6.708 -14.778 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.260 -16.427 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.160 -14.349 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.180 -16.039 -7.557 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.615 -15.681 -3.770 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.954 -15.823 -2.478 1.00 0.00 C ATOM 1176 C LEU A 80 -4.176 -17.219 -1.904 1.00 0.00 C ATOM 1177 O LEU A 80 -4.835 -18.058 -2.520 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.472 -14.768 -1.499 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.322 -13.312 -1.941 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.423 -12.455 -1.336 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.952 -12.775 -1.554 1.00 0.00 C ATOM 0 H LEU A 80 -5.632 -15.617 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.884 -15.677 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.528 -14.963 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.951 -14.894 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.412 -13.271 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.300 -11.422 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.394 -12.826 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.365 -12.502 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.863 -11.738 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.832 -12.830 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.178 -13.372 -2.036 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.624 -17.460 -0.720 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.764 -18.754 -0.060 1.00 0.00 C ATOM 1195 C LEU A 81 -4.716 -18.659 1.128 1.00 0.00 C ATOM 1196 O LEU A 81 -4.695 -17.698 1.897 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.398 -19.261 0.406 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.507 -19.876 -0.674 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.089 -20.058 -0.156 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.079 -21.206 -1.144 1.00 0.00 C ATOM 0 H LEU A 81 -3.076 -16.777 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.180 -19.459 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.861 -18.430 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.556 -20.006 1.186 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.477 -19.195 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.531 -20.497 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.321 -19.090 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.100 -20.718 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.432 -21.629 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.139 -21.894 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.076 -21.048 -1.556 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.570 -19.681 1.285 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.544 -19.738 2.379 1.00 0.00 C ATOM 1214 C PRO A 82 -5.881 -19.957 3.735 1.00 0.00 C ATOM 1215 O PRO A 82 -4.882 -20.667 3.840 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.420 -20.939 2.013 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.547 -21.800 1.166 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.651 -20.860 0.407 1.00 0.00 C ATOM 0 HA PRO A 82 -7.097 -18.804 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.756 -21.470 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.313 -20.627 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.963 -22.487 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.142 -22.408 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.668 -21.297 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.068 -20.607 -0.568 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.444 -19.341 4.770 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.906 -19.469 6.120 1.00 0.00 C ATOM 1228 C ASN A 83 -4.413 -19.155 6.142 1.00 0.00 C ATOM 1229 O ASN A 83 -3.605 -19.963 6.600 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.150 -20.880 6.657 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.603 -21.117 7.022 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.910 -21.594 8.114 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.504 -20.784 6.106 1.00 0.00 N ATOM 0 H ASN A 83 -7.272 -18.749 4.700 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.420 -18.751 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.843 -21.609 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.526 -21.044 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.497 -20.921 6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.203 -20.391 5.214 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.054 -17.975 5.645 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.659 -17.553 5.610 1.00 0.00 C ATOM 1242 C HIS A 84 -2.546 -16.037 5.734 1.00 0.00 C ATOM 1243 O HIS A 84 -3.256 -15.294 5.056 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.995 -18.021 4.314 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.529 -19.444 4.360 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.369 -20.518 4.157 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.300 -19.966 4.584 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.678 -21.639 4.257 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.420 -21.332 4.516 1.00 0.00 N ATOM 0 H HIS A 84 -4.710 -17.295 5.261 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.147 -18.008 6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.701 -17.905 3.491 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.144 -17.375 4.098 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.368 -20.457 3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.606 -19.411 4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.074 -22.637 4.146 1.00 0.00 H new ATOM 1257 N SER A 85 -1.650 -15.584 6.605 1.00 0.00 N ATOM 1258 CA SER A 85 -1.448 -14.156 6.821 1.00 0.00 C ATOM 1259 C SER A 85 -0.637 -13.544 5.683 1.00 0.00 C ATOM 1260 O SER A 85 0.203 -14.209 5.076 1.00 0.00 O ATOM 1261 CB SER A 85 -0.738 -13.916 8.155 1.00 0.00 C ATOM 1262 OG SER A 85 -1.468 -14.482 9.230 1.00 0.00 O ATOM 0 H SER A 85 -1.052 -16.185 7.172 1.00 0.00 H new ATOM 0 HA SER A 85 -2.426 -13.675 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.262 -14.350 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.616 -12.845 8.318 1.00 0.00 H new ATOM 0 HG SER A 85 -0.993 -14.317 10.071 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.894 -12.272 5.400 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.190 -11.568 4.334 1.00 0.00 C ATOM 1270 C TYR A 86 0.045 -10.108 4.707 1.00 0.00 C ATOM 1271 O TYR A 86 -0.888 -9.388 5.063 1.00 0.00 O ATOM 1272 CB TYR A 86 -0.984 -11.652 3.029 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.736 -12.924 2.250 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.325 -13.020 1.358 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.563 -14.030 2.407 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.554 -14.180 0.643 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.340 -15.195 1.698 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.281 -15.265 0.817 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.055 -16.422 0.108 1.00 0.00 O ATOM 0 H TYR A 86 -1.585 -11.707 5.894 1.00 0.00 H new ATOM 0 HA TYR A 86 0.779 -12.048 4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.048 -11.576 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.729 -10.797 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.982 -12.174 1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.394 -13.978 3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.382 -14.237 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.991 -16.046 1.833 1.00 0.00 H new ATOM 0 HH TYR A 86 0.845 -16.398 -0.279 1.00 0.00 H new ATOM 1289 N VAL A 87 1.299 -9.676 4.620 1.00 0.00 N ATOM 1290 CA VAL A 87 1.658 -8.301 4.946 1.00 0.00 C ATOM 1291 C VAL A 87 1.466 -7.383 3.745 1.00 0.00 C ATOM 1292 O VAL A 87 2.270 -7.386 2.812 1.00 0.00 O ATOM 1293 CB VAL A 87 3.119 -8.202 5.426 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.070 -8.702 4.350 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.453 -6.771 5.822 1.00 0.00 C ATOM 0 H VAL A 87 2.083 -10.258 4.327 1.00 0.00 H new ATOM 0 HA VAL A 87 0.996 -7.983 5.751 1.00 0.00 H new ATOM 0 HB VAL A 87 3.238 -8.836 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.097 -8.624 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.844 -9.743 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.952 -8.098 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.488 -6.719 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.317 -6.115 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.793 -6.453 6.629 1.00 0.00 H new ATOM 1305 N PHE A 88 0.395 -6.597 3.773 1.00 0.00 N ATOM 1306 CA PHE A 88 0.096 -5.673 2.686 1.00 0.00 C ATOM 1307 C PHE A 88 0.736 -4.311 2.938 1.00 0.00 C ATOM 1308 O PHE A 88 0.301 -3.560 3.811 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.418 -5.515 2.524 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.057 -6.633 1.751 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.413 -7.814 2.383 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.304 -6.503 0.394 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -3.001 -8.845 1.674 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.892 -7.530 -0.320 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.242 -8.702 0.322 1.00 0.00 C ATOM 0 H PHE A 88 -0.280 -6.582 4.537 1.00 0.00 H new ATOM 0 HA PHE A 88 0.512 -6.086 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.877 -5.457 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.625 -4.571 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.229 -7.930 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.034 -5.588 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.272 -9.761 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.077 -7.416 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.704 -9.505 -0.233 1.00 0.00 H new ATOM 1325 N ARG A 89 1.773 -4.000 2.167 1.00 0.00 N ATOM 1326 CA ARG A 89 2.475 -2.730 2.307 1.00 0.00 C ATOM 1327 C ARG A 89 2.202 -1.823 1.110 1.00 0.00 C ATOM 1328 O ARG A 89 2.744 -2.030 0.025 1.00 0.00 O ATOM 1329 CB ARG A 89 3.980 -2.967 2.448 1.00 0.00 C ATOM 1330 CG ARG A 89 4.350 -3.842 3.634 1.00 0.00 C ATOM 1331 CD ARG A 89 5.857 -3.911 3.827 1.00 0.00 C ATOM 1332 NE ARG A 89 6.261 -5.115 4.548 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.473 -5.653 4.459 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.393 -5.096 3.684 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.766 -6.749 5.147 1.00 0.00 N ATOM 0 H ARG A 89 2.145 -4.610 1.439 1.00 0.00 H new ATOM 0 HA ARG A 89 2.106 -2.237 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.353 -3.430 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.483 -2.005 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.884 -3.448 4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.955 -4.847 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.349 -3.889 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.193 -3.030 4.374 1.00 0.00 H new ATOM 0 HE ARG A 89 5.576 -5.568 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.171 -4.253 3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.323 -5.511 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.061 -7.180 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.697 -7.161 5.078 1.00 0.00 H new ATOM 1349 N VAL A 90 1.358 -0.817 1.317 1.00 0.00 N ATOM 1350 CA VAL A 90 1.014 0.122 0.256 1.00 0.00 C ATOM 1351 C VAL A 90 1.869 1.382 0.338 1.00 0.00 C ATOM 1352 O VAL A 90 2.424 1.700 1.390 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.473 0.520 0.320 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.787 1.583 -0.722 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.359 -0.702 0.130 1.00 0.00 C ATOM 0 H VAL A 90 0.900 -0.632 2.209 1.00 0.00 H new ATOM 0 HA VAL A 90 1.208 -0.384 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.677 0.940 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.842 1.851 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.177 2.467 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.568 1.194 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.406 -0.403 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.154 -1.152 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.152 -1.427 0.917 1.00 0.00 H new ATOM 1365 N ARG A 91 1.970 2.095 -0.779 1.00 0.00 N ATOM 1366 CA ARG A 91 2.759 3.320 -0.834 1.00 0.00 C ATOM 1367 C ARG A 91 2.311 4.203 -1.995 1.00 0.00 C ATOM 1368 O ARG A 91 1.356 3.880 -2.701 1.00 0.00 O ATOM 1369 CB ARG A 91 4.245 2.989 -0.974 1.00 0.00 C ATOM 1370 CG ARG A 91 4.551 2.032 -2.115 1.00 0.00 C ATOM 1371 CD ARG A 91 6.030 1.681 -2.167 1.00 0.00 C ATOM 1372 NE ARG A 91 6.874 2.806 -1.774 1.00 0.00 N ATOM 1373 CZ ARG A 91 8.101 2.669 -1.283 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.624 1.460 -1.127 1.00 0.00 N ATOM 1375 NH2 ARG A 91 8.807 3.741 -0.948 1.00 0.00 N ATOM 0 H ARG A 91 1.516 1.846 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 91 2.602 3.866 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.802 3.914 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.601 2.554 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.964 1.121 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.250 2.483 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.225 0.834 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.293 1.366 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 91 6.501 3.749 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.084 0.634 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.566 1.357 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.408 4.672 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.749 3.634 -0.571 1.00 0.00 H new ATOM 1389 N ALA A 92 3.008 5.318 -2.186 1.00 0.00 N ATOM 1390 CA ALA A 92 2.683 6.247 -3.262 1.00 0.00 C ATOM 1391 C ALA A 92 3.943 6.713 -3.983 1.00 0.00 C ATOM 1392 O ALA A 92 5.039 6.671 -3.426 1.00 0.00 O ATOM 1393 CB ALA A 92 1.913 7.440 -2.715 1.00 0.00 C ATOM 0 H ALA A 92 3.801 5.600 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 92 2.055 5.724 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.677 8.125 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.989 7.095 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.521 7.956 -1.972 1.00 0.00 H new ATOM 1399 N GLN A 93 3.778 7.156 -5.226 1.00 0.00 N ATOM 1400 CA GLN A 93 4.904 7.629 -6.023 1.00 0.00 C ATOM 1401 C GLN A 93 4.676 9.063 -6.490 1.00 0.00 C ATOM 1402 O GLN A 93 3.578 9.420 -6.916 1.00 0.00 O ATOM 1403 CB GLN A 93 5.120 6.715 -7.230 1.00 0.00 C ATOM 1404 CG GLN A 93 6.134 7.254 -8.227 1.00 0.00 C ATOM 1405 CD GLN A 93 5.881 6.765 -9.639 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.612 7.556 -10.543 1.00 0.00 O ATOM 1407 NE2 GLN A 93 5.966 5.455 -9.837 1.00 0.00 N ATOM 0 H GLN A 93 2.877 7.197 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 93 5.795 7.608 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.451 5.737 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.167 6.566 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.107 8.344 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.136 6.956 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.192 4.835 -9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.806 5.068 -10.767 1.00 0.00 H new ATOM 1416 N SER A 94 5.720 9.881 -6.407 1.00 0.00 N ATOM 1417 CA SER A 94 5.633 11.277 -6.817 1.00 0.00 C ATOM 1418 C SER A 94 6.858 11.682 -7.631 1.00 0.00 C ATOM 1419 O SER A 94 7.847 10.952 -7.689 1.00 0.00 O ATOM 1420 CB SER A 94 5.499 12.183 -5.591 1.00 0.00 C ATOM 1421 OG SER A 94 6.712 12.237 -4.862 1.00 0.00 O ATOM 0 H SER A 94 6.637 9.600 -6.059 1.00 0.00 H new ATOM 0 HA SER A 94 4.748 11.391 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.216 13.187 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.700 11.814 -4.948 1.00 0.00 H new ATOM 0 HG SER A 94 6.802 13.118 -4.442 1.00 0.00 H new ATOM 1427 N GLN A 95 6.783 12.851 -8.259 1.00 0.00 N ATOM 1428 CA GLN A 95 7.886 13.353 -9.071 1.00 0.00 C ATOM 1429 C GLN A 95 9.226 13.082 -8.396 1.00 0.00 C ATOM 1430 O GLN A 95 10.205 12.738 -9.057 1.00 0.00 O ATOM 1431 CB GLN A 95 7.721 14.854 -9.320 1.00 0.00 C ATOM 1432 CG GLN A 95 8.718 15.417 -10.320 1.00 0.00 C ATOM 1433 CD GLN A 95 8.477 14.916 -11.730 1.00 0.00 C ATOM 1434 OE1 GLN A 95 8.608 13.724 -12.009 1.00 0.00 O ATOM 1435 NE2 GLN A 95 8.123 15.827 -12.629 1.00 0.00 N ATOM 0 H GLN A 95 5.971 13.468 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 95 7.869 12.829 -10.027 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.710 15.045 -9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.828 15.385 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.661 16.505 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.728 15.148 -10.011 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.026 16.804 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.948 15.549 -13.595 1.00 0.00 H new ATOM 1444 N GLU A 96 9.262 13.241 -7.077 1.00 0.00 N ATOM 1445 CA GLU A 96 10.484 13.014 -6.314 1.00 0.00 C ATOM 1446 C GLU A 96 10.828 11.528 -6.266 1.00 0.00 C ATOM 1447 O GLU A 96 11.900 11.114 -6.706 1.00 0.00 O ATOM 1448 CB GLU A 96 10.332 13.559 -4.892 1.00 0.00 C ATOM 1449 CG GLU A 96 10.500 15.066 -4.797 1.00 0.00 C ATOM 1450 CD GLU A 96 11.954 15.494 -4.838 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.645 15.349 -3.808 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.401 15.974 -5.901 1.00 0.00 O ATOM 0 H GLU A 96 8.460 13.526 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 96 11.297 13.541 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.348 13.287 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.068 13.078 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.962 15.540 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.047 15.421 -3.872 1.00 0.00 H new ATOM 1459 N GLY A 97 9.909 10.730 -5.729 1.00 0.00 N ATOM 1460 CA GLY A 97 10.134 9.300 -5.633 1.00 0.00 C ATOM 1461 C GLY A 97 9.191 8.630 -4.653 1.00 0.00 C ATOM 1462 O GLY A 97 8.364 9.291 -4.027 1.00 0.00 O ATOM 0 H GLY A 97 9.013 11.049 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.011 8.849 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.163 9.117 -5.325 1.00 0.00 H new ATOM 1466 N TRP A 98 9.315 7.314 -4.522 1.00 0.00 N ATOM 1467 CA TRP A 98 8.465 6.553 -3.613 1.00 0.00 C ATOM 1468 C TRP A 98 8.745 6.932 -2.162 1.00 0.00 C ATOM 1469 O TRP A 98 9.864 6.775 -1.675 1.00 0.00 O ATOM 1470 CB TRP A 98 8.683 5.053 -3.812 1.00 0.00 C ATOM 1471 CG TRP A 98 8.190 4.552 -5.136 1.00 0.00 C ATOM 1472 CD1 TRP A 98 8.935 4.337 -6.260 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.842 4.206 -5.473 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.131 3.878 -7.276 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.843 3.788 -6.818 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.635 4.207 -4.769 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.684 3.377 -7.471 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.485 3.800 -5.418 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.516 3.388 -6.758 1.00 0.00 C ATOM 0 H TRP A 98 9.995 6.752 -5.033 1.00 0.00 H new ATOM 0 HA TRP A 98 7.426 6.794 -3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.747 4.832 -3.721 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.176 4.510 -3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 98 9.999 4.503 -6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.443 3.643 -8.218 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.602 4.520 -3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.706 3.061 -8.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.546 3.799 -4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.600 3.073 -7.237 1.00 0.00 H new ATOM 1490 N GLY A 99 7.721 7.430 -1.477 1.00 0.00 N ATOM 1491 CA GLY A 99 7.878 7.823 -0.088 1.00 0.00 C ATOM 1492 C GLY A 99 7.868 6.636 0.854 1.00 0.00 C ATOM 1493 O GLY A 99 8.597 5.665 0.649 1.00 0.00 O ATOM 0 H GLY A 99 6.785 7.569 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.815 8.368 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.075 8.507 0.186 1.00 0.00 H new ATOM 1497 N ARG A 100 7.041 6.713 1.892 1.00 0.00 N ATOM 1498 CA ARG A 100 6.941 5.638 2.871 1.00 0.00 C ATOM 1499 C ARG A 100 5.795 4.692 2.526 1.00 0.00 C ATOM 1500 O ARG A 100 5.115 4.869 1.515 1.00 0.00 O ATOM 1501 CB ARG A 100 6.736 6.214 4.273 1.00 0.00 C ATOM 1502 CG ARG A 100 7.994 6.822 4.872 1.00 0.00 C ATOM 1503 CD ARG A 100 8.000 6.709 6.388 1.00 0.00 C ATOM 1504 NE ARG A 100 9.303 7.044 6.957 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.486 7.374 8.231 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.455 7.411 9.064 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.702 7.666 8.673 1.00 0.00 N ATOM 0 H ARG A 100 6.431 7.509 2.076 1.00 0.00 H new ATOM 0 HA ARG A 100 7.873 5.074 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.958 6.976 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.375 5.424 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.872 6.319 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.065 7.871 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.242 7.372 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.729 5.694 6.677 1.00 0.00 H new ATOM 0 HE ARG A 100 10.117 7.023 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.519 7.186 8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.598 7.665 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.497 7.637 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.842 7.919 9.651 1.00 0.00 H new ATOM 1521 N GLU A 101 5.587 3.688 3.372 1.00 0.00 N ATOM 1522 CA GLU A 101 4.524 2.714 3.154 1.00 0.00 C ATOM 1523 C GLU A 101 3.819 2.376 4.464 1.00 0.00 C ATOM 1524 O GLU A 101 4.306 2.705 5.546 1.00 0.00 O ATOM 1525 CB GLU A 101 5.091 1.439 2.524 1.00 0.00 C ATOM 1526 CG GLU A 101 6.260 0.848 3.293 1.00 0.00 C ATOM 1527 CD GLU A 101 6.172 1.113 4.783 1.00 0.00 C ATOM 1528 OE1 GLU A 101 5.325 0.483 5.450 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.951 1.952 5.283 1.00 0.00 O ATOM 0 H GLU A 101 6.140 3.528 4.214 1.00 0.00 H new ATOM 0 HA GLU A 101 3.796 3.155 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.298 0.694 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.411 1.658 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.297 -0.228 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.191 1.264 2.908 1.00 0.00 H new ATOM 1536 N ARG A 102 2.669 1.717 4.358 1.00 0.00 N ATOM 1537 CA ARG A 102 1.896 1.337 5.534 1.00 0.00 C ATOM 1538 C ARG A 102 1.682 -0.174 5.578 1.00 0.00 C ATOM 1539 O ARG A 102 1.228 -0.774 4.605 1.00 0.00 O ATOM 1540 CB ARG A 102 0.545 2.054 5.536 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.414 1.545 6.600 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.098 2.138 7.964 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.462 1.233 9.052 1.00 0.00 N ATOM 1544 CZ ARG A 102 -0.181 1.469 10.329 1.00 0.00 C ATOM 1545 NH1 ARG A 102 0.462 2.576 10.676 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -0.545 0.598 11.261 1.00 0.00 N ATOM 0 H ARG A 102 2.253 1.436 3.470 1.00 0.00 H new ATOM 0 HA ARG A 102 2.458 1.634 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.710 3.121 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.081 1.939 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.437 1.798 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.357 0.458 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.966 2.366 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.633 3.081 8.082 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.959 0.373 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.742 3.248 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.677 2.755 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.041 -0.253 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.329 0.780 12.241 1.00 0.00 H new ATOM 1560 N GLU A 103 2.012 -0.780 6.714 1.00 0.00 N ATOM 1561 CA GLU A 103 1.857 -2.220 6.883 1.00 0.00 C ATOM 1562 C GLU A 103 0.414 -2.575 7.228 1.00 0.00 C ATOM 1563 O GLU A 103 -0.194 -1.963 8.106 1.00 0.00 O ATOM 1564 CB GLU A 103 2.796 -2.731 7.979 1.00 0.00 C ATOM 1565 CG GLU A 103 3.230 -4.174 7.783 1.00 0.00 C ATOM 1566 CD GLU A 103 3.806 -4.786 9.046 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.163 -4.665 10.109 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.900 -5.384 8.970 1.00 0.00 O ATOM 0 H GLU A 103 2.388 -0.297 7.530 1.00 0.00 H new ATOM 0 HA GLU A 103 2.115 -2.701 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.681 -2.096 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.299 -2.638 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.375 -4.765 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.975 -4.221 6.988 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.128 -3.568 6.530 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.496 -3.988 6.776 1.00 0.00 C ATOM 1577 C GLY A 104 -1.673 -5.488 6.654 1.00 0.00 C ATOM 1578 O GLY A 104 -2.128 -5.985 5.624 1.00 0.00 O ATOM 0 H GLY A 104 0.355 -4.089 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.796 -3.670 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.159 -3.488 6.069 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.312 -6.213 7.708 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.433 -7.666 7.715 1.00 0.00 C ATOM 1584 C VAL A 105 -2.895 -8.095 7.709 1.00 0.00 C ATOM 1585 O VAL A 105 -3.739 -7.471 8.354 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.733 -8.282 8.941 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -1.249 -7.648 10.224 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -0.930 -9.790 8.965 1.00 0.00 C ATOM 0 H VAL A 105 -0.933 -5.818 8.568 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.947 -8.029 6.809 1.00 0.00 H new ATOM 0 HB VAL A 105 0.336 -8.080 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.743 -8.095 11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.051 -6.576 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.322 -7.818 10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.429 -10.209 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.995 -10.017 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.508 -10.227 8.060 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.189 -9.165 6.977 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.550 -9.679 6.889 1.00 0.00 C ATOM 1600 C ILE A 106 -4.573 -11.198 7.020 1.00 0.00 C ATOM 1601 O ILE A 106 -3.648 -11.885 6.586 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.218 -9.280 5.560 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.688 -9.704 5.554 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.476 -9.903 4.386 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.589 -8.769 6.329 1.00 0.00 C ATOM 0 H ILE A 106 -2.503 -9.692 6.437 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.108 -9.236 7.714 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.173 -8.196 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.037 -9.761 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.770 -10.706 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.960 -9.612 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.443 -9.555 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.493 -10.989 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.616 -9.131 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.265 -8.731 7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.536 -7.770 5.895 1.00 0.00 H new ATOM 1617 N THR A 107 -5.639 -11.719 7.620 1.00 0.00 N ATOM 1618 CA THR A 107 -5.785 -13.157 7.809 1.00 0.00 C ATOM 1619 C THR A 107 -7.020 -13.684 7.087 1.00 0.00 C ATOM 1620 O THR A 107 -8.148 -13.328 7.428 1.00 0.00 O ATOM 1621 CB THR A 107 -5.882 -13.521 9.302 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.638 -13.247 9.955 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.242 -14.988 9.479 1.00 0.00 C ATOM 0 H THR A 107 -6.415 -11.166 7.984 1.00 0.00 H new ATOM 0 HA THR A 107 -4.895 -13.623 7.387 1.00 0.00 H new ATOM 0 HB THR A 107 -6.668 -12.914 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.709 -13.480 10.904 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.305 -15.222 10.542 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.204 -15.186 9.006 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.475 -15.609 9.016 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.799 -14.532 6.089 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.895 -15.109 5.320 1.00 0.00 C ATOM 1633 C ILE A 108 -8.729 -16.055 6.178 1.00 0.00 C ATOM 1634 O ILE A 108 -8.243 -17.094 6.624 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.377 -15.873 4.088 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.387 -15.010 3.304 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.539 -16.295 3.200 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.033 -13.836 2.601 1.00 0.00 C ATOM 0 H ILE A 108 -5.871 -14.835 5.794 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.518 -14.279 4.987 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.859 -16.770 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.622 -14.639 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.881 -15.632 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.157 -16.834 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.211 -16.943 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.082 -15.411 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.272 -13.269 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.778 -14.200 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.515 -13.192 3.336 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.987 -15.689 6.402 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.888 -16.506 7.205 1.00 0.00 C ATOM 1652 C GLU A 109 -12.082 -16.973 6.377 1.00 0.00 C ATOM 1653 O GLU A 109 -12.906 -16.167 5.946 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.376 -15.720 8.424 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.428 -15.787 9.610 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.730 -16.952 10.533 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.589 -18.111 10.092 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -11.108 -16.703 11.697 1.00 0.00 O ATOM 0 H GLU A 109 -10.405 -14.832 6.039 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.337 -17.383 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.517 -14.677 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.351 -16.103 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.404 -15.872 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.491 -14.856 10.174 1.00 0.00 H new