USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 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+ -145:sc= 0.0827 (180deg=0) USER MOD Single : A 0 THR OG1 : rot -160:sc= 0.26 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.452 (180deg=-0.452) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0328) USER MOD Single : A 19 SER OG : rot 140:sc= 0.447 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 112:sc= 0.995 USER MOD Single : A 36 SER OG : rot 80:sc= 0.608 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0458 USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= 0.458 (180deg=0.187) USER MOD Single : A 57 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= -3.41! (180deg=-3.85!) USER MOD Single : A 63 ASN : amide:sc= 0.324 X(o=0.32,f=0.0026) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.205 F(o=-1.7,f=-0.2) USER MOD Single : A 73 MET CE :methyl -117:sc= 0 (180deg=-0.0665) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.457 -7.341 -13.479 1.00 0.00 N ATOM 181 CA THR A 0 4.512 -5.897 -13.715 1.00 0.00 C ATOM 182 C THR A 0 5.920 -5.491 -14.147 1.00 0.00 C ATOM 183 O THR A 0 6.916 -6.095 -13.733 1.00 0.00 O ATOM 184 CB THR A 0 4.073 -5.096 -12.442 1.00 0.00 C ATOM 185 OG1 THR A 0 4.678 -5.658 -11.266 1.00 0.00 O ATOM 186 CG2 THR A 0 2.544 -5.064 -12.275 1.00 0.00 C ATOM 0 H1 THR A 0 3.526 -7.705 -13.767 1.00 0.00 H new ATOM 0 H2 THR A 0 5.199 -7.812 -14.035 1.00 0.00 H new ATOM 0 H3 THR A 0 4.607 -7.533 -12.468 1.00 0.00 H new ATOM 0 HA THR A 0 3.813 -5.655 -14.515 1.00 0.00 H new ATOM 0 HB THR A 0 4.414 -4.069 -12.575 1.00 0.00 H new ATOM 0 HG1 THR A 0 4.174 -5.378 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 0 2.288 -4.498 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 0 2.093 -4.589 -13.146 1.00 0.00 H new ATOM 0 HG23 THR A 0 2.167 -6.082 -12.181 1.00 0.00 H new ATOM 194 N MET A 1 5.976 -4.463 -14.993 1.00 0.00 N ATOM 195 CA MET A 1 7.208 -3.937 -15.571 1.00 0.00 C ATOM 196 C MET A 1 7.352 -2.445 -15.218 1.00 0.00 C ATOM 197 O MET A 1 6.538 -1.610 -15.641 1.00 0.00 O ATOM 198 CB MET A 1 7.209 -4.205 -17.107 1.00 0.00 C ATOM 199 CG MET A 1 5.975 -3.690 -17.865 1.00 0.00 C ATOM 200 SD MET A 1 5.773 -4.417 -19.504 1.00 0.00 S ATOM 201 CE MET A 1 7.319 -4.007 -20.289 1.00 0.00 C ATOM 0 H MET A 1 5.143 -3.961 -15.302 1.00 0.00 H new ATOM 0 HA MET A 1 8.078 -4.443 -15.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.098 -3.745 -17.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.294 -5.279 -17.272 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.084 -3.898 -17.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.047 -2.607 -17.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.325 -4.398 -21.307 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.438 -2.924 -20.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.141 -4.448 -19.726 1.00 0.00 H new ATOM 211 N GLU A 2 8.353 -2.130 -14.369 1.00 0.00 N ATOM 212 CA GLU A 2 8.675 -0.746 -13.982 1.00 0.00 C ATOM 213 C GLU A 2 9.628 -0.154 -15.022 1.00 0.00 C ATOM 214 O GLU A 2 10.710 -0.689 -15.252 1.00 0.00 O ATOM 215 CB GLU A 2 9.305 -0.664 -12.571 1.00 0.00 C ATOM 216 CG GLU A 2 9.571 0.781 -12.097 1.00 0.00 C ATOM 217 CD GLU A 2 10.275 0.861 -10.740 1.00 0.00 C ATOM 218 OE1 GLU A 2 9.601 0.724 -9.699 1.00 0.00 O ATOM 219 OE2 GLU A 2 11.511 1.055 -10.707 1.00 0.00 O ATOM 0 H GLU A 2 8.957 -2.828 -13.935 1.00 0.00 H new ATOM 0 HA GLU A 2 7.747 -0.175 -13.947 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.644 -1.156 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.244 -1.217 -12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.179 1.293 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.623 1.315 -12.037 1.00 0.00 H new ATOM 226 N LEU A 3 9.212 0.950 -15.649 1.00 0.00 N ATOM 227 CA LEU A 3 9.884 1.518 -16.824 1.00 0.00 C ATOM 228 C LEU A 3 10.269 2.982 -16.554 1.00 0.00 C ATOM 229 O LEU A 3 9.458 3.751 -16.046 1.00 0.00 O ATOM 230 CB LEU A 3 8.928 1.420 -18.041 1.00 0.00 C ATOM 231 CG LEU A 3 8.222 0.043 -18.239 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.178 0.121 -19.360 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.248 -1.089 -18.495 1.00 0.00 C ATOM 0 H LEU A 3 8.392 1.480 -15.354 1.00 0.00 H new ATOM 0 HA LEU A 3 10.797 0.962 -17.036 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.162 2.189 -17.940 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.494 1.650 -18.944 1.00 0.00 H new ATOM 0 HG LEU A 3 7.700 -0.201 -17.314 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.699 -0.851 -19.479 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.426 0.867 -19.105 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.666 0.402 -20.293 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.721 -2.034 -18.628 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.822 -0.863 -19.394 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.924 -1.167 -17.643 1.00 0.00 H new ATOM 245 N GLU A 4 11.502 3.353 -16.924 1.00 0.00 N ATOM 246 CA GLU A 4 12.009 4.724 -16.804 1.00 0.00 C ATOM 247 C GLU A 4 11.668 5.490 -18.093 1.00 0.00 C ATOM 248 O GLU A 4 12.329 5.334 -19.118 1.00 0.00 O ATOM 249 CB GLU A 4 13.546 4.709 -16.542 1.00 0.00 C ATOM 250 CG GLU A 4 14.249 6.083 -16.617 1.00 0.00 C ATOM 251 CD GLU A 4 13.731 7.111 -15.594 1.00 0.00 C ATOM 252 OE1 GLU A 4 12.730 7.800 -15.873 1.00 0.00 O ATOM 253 OE2 GLU A 4 14.336 7.233 -14.515 1.00 0.00 O ATOM 0 H GLU A 4 12.181 2.702 -17.319 1.00 0.00 H new ATOM 0 HA GLU A 4 11.539 5.226 -15.958 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.724 4.283 -15.555 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.013 4.042 -17.266 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.319 5.941 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.123 6.490 -17.620 1.00 0.00 H new ATOM 260 N LEU A 5 10.577 6.263 -18.024 1.00 0.00 N ATOM 261 CA LEU A 5 10.053 7.062 -19.137 1.00 0.00 C ATOM 262 C LEU A 5 10.579 8.496 -19.062 1.00 0.00 C ATOM 263 O LEU A 5 10.124 9.295 -18.241 1.00 0.00 O ATOM 264 CB LEU A 5 8.510 7.052 -19.117 1.00 0.00 C ATOM 265 CG LEU A 5 7.831 5.659 -18.959 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.315 5.784 -19.106 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.399 4.613 -19.940 1.00 0.00 C ATOM 0 H LEU A 5 10.022 6.352 -17.173 1.00 0.00 H new ATOM 0 HA LEU A 5 10.394 6.621 -20.074 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.174 7.691 -18.300 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.153 7.504 -20.042 1.00 0.00 H new ATOM 0 HG LEU A 5 8.057 5.300 -17.955 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.856 4.802 -18.993 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.929 6.455 -18.339 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.077 6.184 -20.091 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.892 3.660 -19.789 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.240 4.950 -20.964 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.467 4.489 -19.761 1.00 0.00 H new ATOM 279 N ARG A 6 11.538 8.814 -19.934 1.00 0.00 N ATOM 280 CA ARG A 6 12.202 10.114 -19.960 1.00 0.00 C ATOM 281 C ARG A 6 11.605 10.971 -21.091 1.00 0.00 C ATOM 282 O ARG A 6 11.702 10.615 -22.256 1.00 0.00 O ATOM 283 CB ARG A 6 13.736 9.927 -20.126 1.00 0.00 C ATOM 284 CG ARG A 6 14.343 8.834 -19.211 1.00 0.00 C ATOM 285 CD ARG A 6 15.876 8.885 -19.136 1.00 0.00 C ATOM 286 NE ARG A 6 16.336 10.032 -18.331 1.00 0.00 N ATOM 287 CZ ARG A 6 17.453 10.736 -18.525 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.251 10.500 -19.557 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.760 11.694 -17.676 1.00 0.00 N ATOM 0 H ARG A 6 11.877 8.169 -20.648 1.00 0.00 H new ATOM 0 HA ARG A 6 12.037 10.634 -19.016 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.950 9.676 -21.165 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.231 10.876 -19.919 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.934 8.943 -18.207 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.037 7.854 -19.576 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.252 7.959 -18.701 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.289 8.955 -20.142 1.00 0.00 H new ATOM 0 HE ARG A 6 15.743 10.314 -17.551 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.017 9.766 -20.225 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.099 11.052 -19.683 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.148 11.889 -16.884 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.610 12.241 -17.810 1.00 0.00 H new ATOM 303 N PHE A 7 10.988 12.098 -20.719 1.00 0.00 N ATOM 304 CA PHE A 7 10.311 13.020 -21.657 1.00 0.00 C ATOM 305 C PHE A 7 11.206 14.218 -21.919 1.00 0.00 C ATOM 306 O PHE A 7 11.861 14.716 -21.002 1.00 0.00 O ATOM 307 CB PHE A 7 8.957 13.487 -21.070 1.00 0.00 C ATOM 308 CG PHE A 7 8.001 12.333 -20.832 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.110 11.549 -19.692 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.024 12.002 -21.767 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.278 10.476 -19.497 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.195 10.918 -21.569 1.00 0.00 C ATOM 313 CZ PHE A 7 6.325 10.158 -20.433 1.00 0.00 C ATOM 0 H PHE A 7 10.940 12.405 -19.748 1.00 0.00 H new ATOM 0 HA PHE A 7 10.119 12.499 -22.595 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.133 14.010 -20.130 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.496 14.202 -21.751 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.858 11.786 -18.950 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.914 12.602 -22.658 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.373 9.878 -18.603 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.446 10.668 -22.305 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.677 9.309 -20.275 1.00 0.00 H new ATOM 323 N PHE A 8 11.241 14.675 -23.175 1.00 0.00 N ATOM 324 CA PHE A 8 12.084 15.810 -23.596 1.00 0.00 C ATOM 325 C PHE A 8 11.250 16.820 -24.392 1.00 0.00 C ATOM 326 O PHE A 8 10.164 16.493 -24.886 1.00 0.00 O ATOM 327 CB PHE A 8 13.314 15.290 -24.391 1.00 0.00 C ATOM 328 CG PHE A 8 14.141 14.288 -23.577 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.856 14.706 -22.455 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.147 12.929 -23.889 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.549 13.800 -21.676 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.853 12.025 -23.119 1.00 0.00 C ATOM 333 CZ PHE A 8 15.555 12.461 -22.009 1.00 0.00 C ATOM 0 H PHE A 8 10.688 14.272 -23.931 1.00 0.00 H new ATOM 0 HA PHE A 8 12.465 16.333 -22.719 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.976 14.817 -25.313 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.944 16.133 -24.677 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.868 15.753 -22.191 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.591 12.578 -24.746 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.088 14.141 -20.804 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.857 10.978 -23.383 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.106 11.755 -21.405 1.00 0.00 H new ATOM 343 N ALA A 9 11.741 18.070 -24.413 1.00 0.00 N ATOM 344 CA ALA A 9 11.150 19.194 -25.165 1.00 0.00 C ATOM 345 C ALA A 9 9.682 19.508 -24.733 1.00 0.00 C ATOM 346 O ALA A 9 9.444 19.780 -23.545 1.00 0.00 O ATOM 347 CB ALA A 9 11.309 18.957 -26.671 1.00 0.00 C ATOM 0 H ALA A 9 12.579 18.335 -23.896 1.00 0.00 H new ATOM 0 HA ALA A 9 11.702 20.100 -24.916 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.870 19.791 -27.219 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.368 18.878 -26.917 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.802 18.033 -26.949 1.00 0.00 H new ATOM 353 N THR A 10 8.714 19.462 -25.688 1.00 0.00 N ATOM 354 CA THR A 10 7.285 19.721 -25.421 1.00 0.00 C ATOM 355 C THR A 10 6.697 18.655 -24.487 1.00 0.00 C ATOM 356 O THR A 10 6.063 18.985 -23.490 1.00 0.00 O ATOM 357 CB THR A 10 6.468 19.781 -26.753 1.00 0.00 C ATOM 358 OG1 THR A 10 6.992 20.829 -27.581 1.00 0.00 O ATOM 359 CG2 THR A 10 4.965 20.008 -26.525 1.00 0.00 C ATOM 0 H THR A 10 8.910 19.243 -26.665 1.00 0.00 H new ATOM 0 HA THR A 10 7.213 20.690 -24.927 1.00 0.00 H new ATOM 0 HB THR A 10 6.572 18.812 -27.241 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.484 20.869 -28.418 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.452 20.040 -27.486 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.561 19.193 -25.925 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.815 20.952 -26.002 1.00 0.00 H new ATOM 367 N PHE A 11 6.959 17.373 -24.798 1.00 0.00 N ATOM 368 CA PHE A 11 6.449 16.235 -24.003 1.00 0.00 C ATOM 369 C PHE A 11 6.950 16.295 -22.546 1.00 0.00 C ATOM 370 O PHE A 11 6.309 15.762 -21.639 1.00 0.00 O ATOM 371 CB PHE A 11 6.835 14.883 -24.676 1.00 0.00 C ATOM 372 CG PHE A 11 6.091 14.541 -25.983 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.159 15.415 -26.563 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.311 13.316 -26.617 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.488 15.074 -27.724 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.639 12.983 -27.781 1.00 0.00 C ATOM 377 CZ PHE A 11 4.727 13.859 -28.329 1.00 0.00 C ATOM 0 H PHE A 11 7.525 17.095 -25.600 1.00 0.00 H new ATOM 0 HA PHE A 11 5.362 16.305 -23.974 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.905 14.896 -24.883 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.658 14.080 -23.960 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.962 16.369 -26.096 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.017 12.617 -26.192 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.776 15.761 -28.157 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.830 12.034 -28.261 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.199 13.593 -29.233 1.00 0.00 H new ATOM 387 N ARG A 12 8.095 16.975 -22.339 1.00 0.00 N ATOM 388 CA ARG A 12 8.666 17.190 -21.002 1.00 0.00 C ATOM 389 C ARG A 12 7.844 18.214 -20.202 1.00 0.00 C ATOM 390 O ARG A 12 7.534 17.968 -19.043 1.00 0.00 O ATOM 391 CB ARG A 12 10.145 17.617 -21.115 1.00 0.00 C ATOM 392 CG ARG A 12 10.927 17.801 -19.782 1.00 0.00 C ATOM 393 CD ARG A 12 10.941 19.248 -19.257 1.00 0.00 C ATOM 394 NE ARG A 12 11.448 20.185 -20.277 1.00 0.00 N ATOM 395 CZ ARG A 12 11.010 21.436 -20.476 1.00 0.00 C ATOM 396 NH1 ARG A 12 10.062 21.959 -19.723 1.00 0.00 N ATOM 397 NH2 ARG A 12 11.534 22.166 -21.438 1.00 0.00 N ATOM 0 H ARG A 12 8.645 17.387 -23.093 1.00 0.00 H new ATOM 0 HA ARG A 12 8.625 16.248 -20.455 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.668 16.873 -21.716 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.186 18.557 -21.665 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.487 17.154 -19.023 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.955 17.468 -19.927 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.933 19.539 -18.962 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.564 19.307 -18.365 1.00 0.00 H new ATOM 0 HE ARG A 12 12.197 19.852 -20.884 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.647 21.409 -18.971 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.744 22.913 -19.893 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.270 21.779 -22.028 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.204 23.119 -21.593 1.00 0.00 H new ATOM 411 N GLU A 13 7.509 19.369 -20.829 1.00 0.00 N ATOM 412 CA GLU A 13 6.751 20.455 -20.153 1.00 0.00 C ATOM 413 C GLU A 13 5.264 20.090 -19.981 1.00 0.00 C ATOM 414 O GLU A 13 4.558 20.685 -19.158 1.00 0.00 O ATOM 415 CB GLU A 13 6.960 21.835 -20.864 1.00 0.00 C ATOM 416 CG GLU A 13 6.535 21.942 -22.351 1.00 0.00 C ATOM 417 CD GLU A 13 5.026 22.172 -22.584 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.500 23.187 -22.088 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.374 21.369 -23.276 1.00 0.00 O ATOM 0 H GLU A 13 7.750 19.573 -21.799 1.00 0.00 H new ATOM 0 HA GLU A 13 7.157 20.564 -19.147 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.411 22.590 -20.302 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.017 22.092 -20.796 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.087 22.760 -22.813 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.831 21.027 -22.865 1.00 0.00 H new ATOM 426 N VAL A 14 4.801 19.109 -20.773 1.00 0.00 N ATOM 427 CA VAL A 14 3.485 18.472 -20.599 1.00 0.00 C ATOM 428 C VAL A 14 3.449 17.661 -19.297 1.00 0.00 C ATOM 429 O VAL A 14 2.545 17.825 -18.459 1.00 0.00 O ATOM 430 CB VAL A 14 3.138 17.533 -21.811 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.883 16.695 -21.515 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.967 18.340 -23.118 1.00 0.00 C ATOM 0 H VAL A 14 5.333 18.733 -21.558 1.00 0.00 H new ATOM 0 HA VAL A 14 2.740 19.267 -20.552 1.00 0.00 H new ATOM 0 HB VAL A 14 3.976 16.851 -21.951 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.664 16.054 -22.369 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.057 16.078 -20.633 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.037 17.358 -21.333 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.728 17.661 -23.936 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.159 19.061 -22.997 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.894 18.868 -23.344 1.00 0.00 H new ATOM 442 N VAL A 15 4.445 16.782 -19.153 1.00 0.00 N ATOM 443 CA VAL A 15 4.589 15.921 -17.976 1.00 0.00 C ATOM 444 C VAL A 15 5.082 16.740 -16.763 1.00 0.00 C ATOM 445 O VAL A 15 4.836 16.374 -15.610 1.00 0.00 O ATOM 446 CB VAL A 15 5.536 14.698 -18.313 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.817 13.794 -17.086 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.917 13.861 -19.461 1.00 0.00 C ATOM 0 H VAL A 15 5.176 16.647 -19.851 1.00 0.00 H new ATOM 0 HA VAL A 15 3.617 15.511 -17.702 1.00 0.00 H new ATOM 0 HB VAL A 15 6.496 15.111 -18.623 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.472 12.974 -17.381 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.300 14.381 -16.305 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.877 13.391 -16.708 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.571 13.020 -19.691 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.940 13.488 -19.153 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.804 14.486 -20.347 1.00 0.00 H new ATOM 458 N GLY A 16 5.720 17.892 -17.056 1.00 0.00 N ATOM 459 CA GLY A 16 6.370 18.733 -16.050 1.00 0.00 C ATOM 460 C GLY A 16 7.613 18.089 -15.454 1.00 0.00 C ATOM 461 O GLY A 16 8.162 18.573 -14.458 1.00 0.00 O ATOM 0 H GLY A 16 5.795 18.260 -18.004 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.642 19.687 -16.502 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.661 18.950 -15.251 1.00 0.00 H new ATOM 465 N GLN A 17 8.063 16.985 -16.090 1.00 0.00 N ATOM 466 CA GLN A 17 9.121 16.097 -15.575 1.00 0.00 C ATOM 467 C GLN A 17 9.912 15.552 -16.783 1.00 0.00 C ATOM 468 O GLN A 17 9.301 15.179 -17.799 1.00 0.00 O ATOM 469 CB GLN A 17 8.510 14.904 -14.748 1.00 0.00 C ATOM 470 CG GLN A 17 7.370 15.287 -13.770 1.00 0.00 C ATOM 471 CD GLN A 17 6.867 14.137 -12.899 1.00 0.00 C ATOM 472 OE1 GLN A 17 7.367 13.900 -11.802 1.00 0.00 O ATOM 473 NE2 GLN A 17 5.850 13.427 -13.371 1.00 0.00 N ATOM 0 H GLN A 17 7.693 16.683 -16.991 1.00 0.00 H new ATOM 0 HA GLN A 17 9.775 16.657 -14.906 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.131 14.157 -15.446 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.310 14.431 -14.179 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.720 16.091 -13.122 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.533 15.683 -14.345 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.455 13.647 -14.285 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.463 12.661 -12.819 1.00 0.00 H new ATOM 482 N LYS A 18 11.256 15.512 -16.684 1.00 0.00 N ATOM 483 CA LYS A 18 12.122 15.018 -17.786 1.00 0.00 C ATOM 484 C LYS A 18 12.331 13.501 -17.713 1.00 0.00 C ATOM 485 O LYS A 18 12.821 12.910 -18.676 1.00 0.00 O ATOM 486 CB LYS A 18 13.506 15.740 -17.853 1.00 0.00 C ATOM 487 CG LYS A 18 14.461 15.548 -16.639 1.00 0.00 C ATOM 488 CD LYS A 18 14.139 16.467 -15.435 1.00 0.00 C ATOM 489 CE LYS A 18 14.174 17.964 -15.788 1.00 0.00 C ATOM 490 NZ LYS A 18 15.478 18.375 -16.360 1.00 0.00 N ATOM 0 H LYS A 18 11.769 15.814 -15.856 1.00 0.00 H new ATOM 0 HA LYS A 18 11.583 15.257 -18.702 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.024 15.398 -18.749 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.326 16.808 -17.977 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.414 14.509 -16.313 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.485 15.735 -16.962 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.152 16.215 -15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.854 16.272 -14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.380 18.186 -16.501 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.971 18.551 -14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.473 19.400 -16.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.239 18.142 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.638 17.872 -17.256 1.00 0.00 H new ATOM 504 N SER A 19 11.999 12.884 -16.566 1.00 0.00 N ATOM 505 CA SER A 19 12.089 11.423 -16.365 1.00 0.00 C ATOM 506 C SER A 19 11.110 11.001 -15.259 1.00 0.00 C ATOM 507 O SER A 19 11.030 11.666 -14.214 1.00 0.00 O ATOM 508 CB SER A 19 13.520 10.994 -15.950 1.00 0.00 C ATOM 509 OG SER A 19 14.531 11.659 -16.697 1.00 0.00 O ATOM 0 H SER A 19 11.658 13.386 -15.746 1.00 0.00 H new ATOM 0 HA SER A 19 11.840 10.938 -17.309 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.663 11.200 -14.889 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.625 9.917 -16.083 1.00 0.00 H new ATOM 0 HG SER A 19 15.273 11.897 -16.103 1.00 0.00 H new ATOM 515 N ILE A 20 10.400 9.881 -15.460 1.00 0.00 N ATOM 516 CA ILE A 20 9.436 9.334 -14.482 1.00 0.00 C ATOM 517 C ILE A 20 9.530 7.808 -14.501 1.00 0.00 C ATOM 518 O ILE A 20 9.700 7.207 -15.559 1.00 0.00 O ATOM 519 CB ILE A 20 7.935 9.773 -14.764 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.370 9.158 -16.077 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.805 11.303 -14.831 1.00 0.00 C ATOM 522 CD1 ILE A 20 5.946 9.599 -16.421 1.00 0.00 C ATOM 0 H ILE A 20 10.476 9.322 -16.310 1.00 0.00 H new ATOM 0 HA ILE A 20 9.701 9.738 -13.505 1.00 0.00 H new ATOM 0 HB ILE A 20 7.350 9.391 -13.928 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.030 9.426 -16.902 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.390 8.071 -15.993 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.767 11.572 -15.025 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.121 11.737 -13.882 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.435 11.687 -15.633 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.632 9.123 -17.350 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.270 9.306 -15.617 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.920 10.682 -16.541 1.00 0.00 H new ATOM 534 N TYR A 21 9.445 7.176 -13.333 1.00 0.00 N ATOM 535 CA TYR A 21 9.285 5.728 -13.254 1.00 0.00 C ATOM 536 C TYR A 21 7.786 5.397 -13.274 1.00 0.00 C ATOM 537 O TYR A 21 7.049 5.747 -12.349 1.00 0.00 O ATOM 538 CB TYR A 21 9.952 5.155 -11.990 1.00 0.00 C ATOM 539 CG TYR A 21 11.489 5.211 -11.997 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.240 4.278 -12.720 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.184 6.159 -11.243 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.619 4.297 -12.683 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.562 6.169 -11.199 1.00 0.00 C ATOM 544 CZ TYR A 21 14.273 5.238 -11.917 1.00 0.00 C ATOM 545 OH TYR A 21 15.649 5.245 -11.863 1.00 0.00 O ATOM 0 H TYR A 21 9.484 7.645 -12.428 1.00 0.00 H new ATOM 0 HA TYR A 21 9.778 5.268 -14.111 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.585 5.702 -11.122 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.640 4.118 -11.868 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.733 3.533 -13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.631 6.899 -10.683 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.185 3.576 -13.253 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.080 6.905 -10.603 1.00 0.00 H new ATOM 0 HH TYR A 21 15.950 5.973 -11.279 1.00 0.00 H new ATOM 555 N TRP A 22 7.353 4.764 -14.358 1.00 0.00 N ATOM 556 CA TRP A 22 6.015 4.172 -14.499 1.00 0.00 C ATOM 557 C TRP A 22 6.082 2.694 -14.106 1.00 0.00 C ATOM 558 O TRP A 22 7.168 2.150 -13.902 1.00 0.00 O ATOM 559 CB TRP A 22 5.524 4.328 -15.972 1.00 0.00 C ATOM 560 CG TRP A 22 4.439 5.347 -16.205 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.340 6.605 -15.692 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.313 5.179 -17.064 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.215 7.226 -16.181 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.571 6.368 -17.028 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.874 4.130 -17.870 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.408 6.532 -17.761 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.719 4.295 -18.591 1.00 0.00 C ATOM 568 CH2 TRP A 22 1.001 5.493 -18.534 1.00 0.00 C ATOM 0 H TRP A 22 7.933 4.642 -15.188 1.00 0.00 H new ATOM 0 HA TRP A 22 5.308 4.683 -13.845 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.380 4.591 -16.593 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.165 3.359 -16.318 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.042 7.049 -15.002 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.911 8.172 -15.950 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.432 3.207 -17.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.845 7.453 -17.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.359 3.488 -19.212 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.099 5.595 -19.120 1.00 0.00 H new ATOM 579 N ARG A 23 4.913 2.056 -14.000 1.00 0.00 N ATOM 580 CA ARG A 23 4.809 0.615 -13.773 1.00 0.00 C ATOM 581 C ARG A 23 3.444 0.119 -14.259 1.00 0.00 C ATOM 582 O ARG A 23 2.399 0.402 -13.661 1.00 0.00 O ATOM 583 CB ARG A 23 5.063 0.248 -12.287 1.00 0.00 C ATOM 584 CG ARG A 23 5.190 -1.273 -12.018 1.00 0.00 C ATOM 585 CD ARG A 23 5.743 -1.566 -10.617 1.00 0.00 C ATOM 586 NE ARG A 23 5.928 -3.005 -10.362 1.00 0.00 N ATOM 587 CZ ARG A 23 6.109 -3.554 -9.158 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.096 -2.814 -8.059 1.00 0.00 N ATOM 589 NH2 ARG A 23 6.291 -4.856 -9.053 1.00 0.00 N ATOM 0 H ARG A 23 4.011 2.527 -14.070 1.00 0.00 H new ATOM 0 HA ARG A 23 5.587 0.112 -14.348 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.976 0.741 -11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.248 0.645 -11.682 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.213 -1.743 -12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.844 -1.720 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.698 -1.055 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.064 -1.154 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 23 5.917 -3.631 -11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.946 -1.807 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.236 -3.251 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.293 -5.440 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.430 -5.279 -8.135 1.00 0.00 H new ATOM 603 N VAL A 24 3.493 -0.612 -15.370 1.00 0.00 N ATOM 604 CA VAL A 24 2.336 -1.214 -16.057 1.00 0.00 C ATOM 605 C VAL A 24 2.452 -2.741 -15.952 1.00 0.00 C ATOM 606 O VAL A 24 3.376 -3.243 -15.313 1.00 0.00 O ATOM 607 CB VAL A 24 2.281 -0.756 -17.579 1.00 0.00 C ATOM 608 CG1 VAL A 24 1.663 0.655 -17.744 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.695 -0.810 -18.217 1.00 0.00 C ATOM 0 H VAL A 24 4.374 -0.814 -15.842 1.00 0.00 H new ATOM 0 HA VAL A 24 1.412 -0.880 -15.584 1.00 0.00 H new ATOM 0 HB VAL A 24 1.630 -1.456 -18.102 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.647 0.924 -18.800 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.645 0.654 -17.354 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.262 1.381 -17.194 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.637 -0.493 -19.258 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.366 -0.145 -17.672 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.077 -1.830 -18.169 1.00 0.00 H new ATOM 619 N ASP A 25 1.491 -3.475 -16.528 1.00 0.00 N ATOM 620 CA ASP A 25 1.529 -4.953 -16.558 1.00 0.00 C ATOM 621 C ASP A 25 2.551 -5.426 -17.620 1.00 0.00 C ATOM 622 O ASP A 25 2.883 -4.662 -18.533 1.00 0.00 O ATOM 623 CB ASP A 25 0.112 -5.509 -16.839 1.00 0.00 C ATOM 624 CG ASP A 25 -0.035 -6.975 -16.409 1.00 0.00 C ATOM 625 OD1 ASP A 25 -0.406 -7.228 -15.241 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.255 -7.876 -17.218 1.00 0.00 O ATOM 0 H ASP A 25 0.672 -3.072 -16.983 1.00 0.00 H new ATOM 0 HA ASP A 25 1.850 -5.336 -15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.625 -4.903 -16.312 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.106 -5.421 -17.903 1.00 0.00 H new ATOM 631 N ASP A 26 3.020 -6.688 -17.514 1.00 0.00 N ATOM 632 CA ASP A 26 4.141 -7.222 -18.330 1.00 0.00 C ATOM 633 C ASP A 26 3.771 -7.407 -19.818 1.00 0.00 C ATOM 634 O ASP A 26 4.643 -7.710 -20.647 1.00 0.00 O ATOM 635 CB ASP A 26 4.667 -8.559 -17.727 1.00 0.00 C ATOM 636 CG ASP A 26 3.682 -9.738 -17.858 1.00 0.00 C ATOM 637 OD1 ASP A 26 2.758 -9.850 -17.029 1.00 0.00 O ATOM 638 OD2 ASP A 26 3.839 -10.564 -18.786 1.00 0.00 O ATOM 0 H ASP A 26 2.634 -7.369 -16.860 1.00 0.00 H new ATOM 0 HA ASP A 26 4.934 -6.475 -18.297 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.602 -8.824 -18.220 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.895 -8.405 -16.672 1.00 0.00 H new ATOM 643 N ASP A 27 2.482 -7.234 -20.148 1.00 0.00 N ATOM 644 CA ASP A 27 1.974 -7.290 -21.540 1.00 0.00 C ATOM 645 C ASP A 27 2.193 -5.969 -22.293 1.00 0.00 C ATOM 646 O ASP A 27 2.056 -5.923 -23.522 1.00 0.00 O ATOM 647 CB ASP A 27 0.468 -7.625 -21.545 1.00 0.00 C ATOM 648 CG ASP A 27 0.170 -9.057 -21.091 1.00 0.00 C ATOM 649 OD1 ASP A 27 0.157 -9.320 -19.878 1.00 0.00 O ATOM 650 OD2 ASP A 27 -0.025 -9.944 -21.956 1.00 0.00 O ATOM 0 H ASP A 27 1.754 -7.050 -19.458 1.00 0.00 H new ATOM 0 HA ASP A 27 2.537 -8.071 -22.051 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.056 -6.927 -20.892 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.073 -7.479 -22.550 1.00 0.00 H new ATOM 655 N ALA A 28 2.509 -4.899 -21.553 1.00 0.00 N ATOM 656 CA ALA A 28 2.674 -3.557 -22.128 1.00 0.00 C ATOM 657 C ALA A 28 4.010 -3.433 -22.866 1.00 0.00 C ATOM 658 O ALA A 28 5.052 -3.788 -22.329 1.00 0.00 O ATOM 659 CB ALA A 28 2.570 -2.495 -21.032 1.00 0.00 C ATOM 0 H ALA A 28 2.657 -4.938 -20.545 1.00 0.00 H new ATOM 0 HA ALA A 28 1.874 -3.397 -22.851 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.694 -1.505 -21.471 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.593 -2.560 -20.554 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.349 -2.662 -20.288 1.00 0.00 H new ATOM 665 N THR A 29 3.960 -2.950 -24.106 1.00 0.00 N ATOM 666 CA THR A 29 5.158 -2.636 -24.894 1.00 0.00 C ATOM 667 C THR A 29 5.284 -1.107 -25.042 1.00 0.00 C ATOM 668 O THR A 29 4.460 -0.364 -24.507 1.00 0.00 O ATOM 669 CB THR A 29 5.105 -3.322 -26.290 1.00 0.00 C ATOM 670 OG1 THR A 29 3.958 -2.853 -27.012 1.00 0.00 O ATOM 671 CG2 THR A 29 5.039 -4.854 -26.189 1.00 0.00 C ATOM 0 H THR A 29 3.086 -2.764 -24.597 1.00 0.00 H new ATOM 0 HA THR A 29 6.035 -3.021 -24.373 1.00 0.00 H new ATOM 0 HB THR A 29 6.025 -3.061 -26.813 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.250 -2.309 -27.773 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.004 -5.283 -27.190 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.922 -5.223 -25.667 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.144 -5.144 -25.638 1.00 0.00 H new ATOM 679 N VAL A 30 6.336 -0.652 -25.752 1.00 0.00 N ATOM 680 CA VAL A 30 6.644 0.789 -25.955 1.00 0.00 C ATOM 681 C VAL A 30 5.436 1.576 -26.541 1.00 0.00 C ATOM 682 O VAL A 30 5.223 2.747 -26.203 1.00 0.00 O ATOM 683 CB VAL A 30 7.952 0.947 -26.837 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.877 0.105 -28.134 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.288 2.435 -27.143 1.00 0.00 C ATOM 0 H VAL A 30 7.004 -1.274 -26.206 1.00 0.00 H new ATOM 0 HA VAL A 30 6.838 1.234 -24.979 1.00 0.00 H new ATOM 0 HB VAL A 30 8.775 0.556 -26.239 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.792 0.241 -28.710 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.763 -0.948 -27.878 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.023 0.428 -28.729 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.192 2.487 -27.750 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.460 2.891 -27.686 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.447 2.972 -26.208 1.00 0.00 H new ATOM 695 N GLY A 31 4.638 0.887 -27.373 1.00 0.00 N ATOM 696 CA GLY A 31 3.388 1.432 -27.917 1.00 0.00 C ATOM 697 C GLY A 31 2.268 1.550 -26.885 1.00 0.00 C ATOM 698 O GLY A 31 1.521 2.529 -26.899 1.00 0.00 O ATOM 0 H GLY A 31 4.843 -0.062 -27.686 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.585 2.417 -28.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.050 0.796 -28.735 1.00 0.00 H new ATOM 702 N ASP A 32 2.133 0.538 -26.005 1.00 0.00 N ATOM 703 CA ASP A 32 1.132 0.553 -24.912 1.00 0.00 C ATOM 704 C ASP A 32 1.471 1.649 -23.888 1.00 0.00 C ATOM 705 O ASP A 32 0.575 2.229 -23.280 1.00 0.00 O ATOM 706 CB ASP A 32 1.044 -0.823 -24.200 1.00 0.00 C ATOM 707 CG ASP A 32 -0.117 -0.918 -23.183 1.00 0.00 C ATOM 708 OD1 ASP A 32 0.047 -0.497 -22.013 1.00 0.00 O ATOM 709 OD2 ASP A 32 -1.206 -1.406 -23.550 1.00 0.00 O ATOM 0 H ASP A 32 2.706 -0.305 -26.028 1.00 0.00 H new ATOM 0 HA ASP A 32 0.161 0.766 -25.360 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.924 -1.604 -24.950 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.985 -1.017 -23.685 1.00 0.00 H new ATOM 714 N VAL A 33 2.779 1.908 -23.714 1.00 0.00 N ATOM 715 CA VAL A 33 3.278 2.959 -22.818 1.00 0.00 C ATOM 716 C VAL A 33 2.712 4.323 -23.227 1.00 0.00 C ATOM 717 O VAL A 33 1.950 4.919 -22.466 1.00 0.00 O ATOM 718 CB VAL A 33 4.860 2.969 -22.835 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.459 4.244 -22.207 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.408 1.707 -22.137 1.00 0.00 C ATOM 0 H VAL A 33 3.518 1.393 -24.192 1.00 0.00 H new ATOM 0 HA VAL A 33 2.945 2.752 -21.801 1.00 0.00 H new ATOM 0 HB VAL A 33 5.168 2.966 -23.881 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.547 4.193 -22.248 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.116 5.118 -22.761 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.138 4.323 -21.168 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.498 1.725 -22.155 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.063 1.684 -21.103 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.051 0.819 -22.659 1.00 0.00 H new ATOM 730 N LEU A 34 3.004 4.754 -24.469 1.00 0.00 N ATOM 731 CA LEU A 34 2.535 6.048 -24.987 1.00 0.00 C ATOM 732 C LEU A 34 0.995 6.059 -25.153 1.00 0.00 C ATOM 733 O LEU A 34 0.359 7.101 -24.978 1.00 0.00 O ATOM 734 CB LEU A 34 3.344 6.465 -26.263 1.00 0.00 C ATOM 735 CG LEU A 34 3.583 5.387 -27.380 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.369 5.210 -28.315 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.864 5.700 -28.193 1.00 0.00 C ATOM 0 H LEU A 34 3.565 4.220 -25.133 1.00 0.00 H new ATOM 0 HA LEU A 34 2.740 6.829 -24.255 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.830 7.310 -26.721 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.319 6.825 -25.935 1.00 0.00 H new ATOM 0 HG LEU A 34 3.721 4.437 -26.864 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.595 4.452 -29.065 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.503 4.896 -27.732 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.150 6.156 -28.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.004 4.937 -28.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.765 6.676 -28.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.726 5.707 -27.526 1.00 0.00 H new ATOM 749 N ARG A 35 0.404 4.888 -25.431 1.00 0.00 N ATOM 750 CA ARG A 35 -1.064 4.703 -25.424 1.00 0.00 C ATOM 751 C ARG A 35 -1.680 5.103 -24.062 1.00 0.00 C ATOM 752 O ARG A 35 -2.677 5.823 -23.999 1.00 0.00 O ATOM 753 CB ARG A 35 -1.421 3.229 -25.811 1.00 0.00 C ATOM 754 CG ARG A 35 -2.874 2.751 -25.525 1.00 0.00 C ATOM 755 CD ARG A 35 -3.937 3.742 -26.021 1.00 0.00 C ATOM 756 NE ARG A 35 -5.305 3.303 -25.724 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.124 3.871 -24.821 1.00 0.00 C ATOM 758 NH1 ARG A 35 -5.705 4.884 -24.053 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.358 3.424 -24.696 1.00 0.00 N ATOM 0 H ARG A 35 0.923 4.042 -25.667 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.499 5.367 -26.171 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.227 3.103 -26.876 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.737 2.566 -25.282 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.034 1.785 -26.003 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.997 2.600 -24.453 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.764 4.714 -25.560 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.829 3.876 -27.097 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.664 2.502 -26.244 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.752 5.236 -24.148 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.338 5.304 -23.373 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.683 2.654 -25.281 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.987 3.848 -24.014 1.00 0.00 H new ATOM 773 N SER A 36 -1.095 4.614 -22.998 1.00 0.00 N ATOM 774 CA SER A 36 -1.575 4.858 -21.645 1.00 0.00 C ATOM 775 C SER A 36 -1.217 6.293 -21.165 1.00 0.00 C ATOM 776 O SER A 36 -1.939 6.875 -20.349 1.00 0.00 O ATOM 777 CB SER A 36 -1.047 3.763 -20.727 1.00 0.00 C ATOM 778 OG SER A 36 -1.426 2.469 -21.178 1.00 0.00 O ATOM 0 H SER A 36 -0.262 4.027 -23.038 1.00 0.00 H new ATOM 0 HA SER A 36 -2.664 4.814 -21.624 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.040 3.826 -20.674 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.425 3.921 -19.717 1.00 0.00 H new ATOM 0 HG SER A 36 -0.835 2.191 -21.908 1.00 0.00 H new ATOM 784 N LEU A 37 -0.068 6.831 -21.643 1.00 0.00 N ATOM 785 CA LEU A 37 0.425 8.190 -21.276 1.00 0.00 C ATOM 786 C LEU A 37 -0.610 9.297 -21.588 1.00 0.00 C ATOM 787 O LEU A 37 -0.833 10.189 -20.765 1.00 0.00 O ATOM 788 CB LEU A 37 1.793 8.518 -21.984 1.00 0.00 C ATOM 789 CG LEU A 37 3.084 8.421 -21.112 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.982 9.300 -19.848 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.425 6.976 -20.759 1.00 0.00 C ATOM 0 H LEU A 37 0.545 6.339 -22.293 1.00 0.00 H new ATOM 0 HA LEU A 37 0.582 8.175 -20.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.906 7.843 -22.832 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.732 9.529 -22.387 1.00 0.00 H new ATOM 0 HG LEU A 37 3.905 8.807 -21.715 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.899 9.207 -19.265 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.841 10.341 -20.139 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.134 8.974 -19.245 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.330 6.954 -20.152 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.601 6.534 -20.199 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.588 6.407 -21.674 1.00 0.00 H new ATOM 803 N GLU A 38 -1.225 9.232 -22.781 1.00 0.00 N ATOM 804 CA GLU A 38 -2.251 10.213 -23.207 1.00 0.00 C ATOM 805 C GLU A 38 -3.516 10.135 -22.348 1.00 0.00 C ATOM 806 O GLU A 38 -4.253 11.119 -22.237 1.00 0.00 O ATOM 807 CB GLU A 38 -2.583 10.062 -24.709 1.00 0.00 C ATOM 808 CG GLU A 38 -2.933 8.630 -25.198 1.00 0.00 C ATOM 809 CD GLU A 38 -4.443 8.305 -25.251 1.00 0.00 C ATOM 810 OE1 GLU A 38 -5.074 8.546 -26.301 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.008 7.824 -24.245 1.00 0.00 O ATOM 0 H GLU A 38 -1.032 8.509 -23.474 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.824 11.205 -23.056 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.423 10.717 -24.941 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.730 10.421 -25.285 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.512 8.490 -26.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.445 7.909 -24.542 1.00 0.00 H new ATOM 818 N ALA A 39 -3.759 8.952 -21.758 1.00 0.00 N ATOM 819 CA ALA A 39 -4.929 8.714 -20.900 1.00 0.00 C ATOM 820 C ALA A 39 -4.836 9.522 -19.594 1.00 0.00 C ATOM 821 O ALA A 39 -5.852 9.765 -18.944 1.00 0.00 O ATOM 822 CB ALA A 39 -5.090 7.212 -20.606 1.00 0.00 C ATOM 0 H ALA A 39 -3.152 8.139 -21.863 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.814 9.054 -21.437 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.961 7.057 -19.970 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.224 6.670 -21.542 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.199 6.843 -20.097 1.00 0.00 H new ATOM 828 N GLU A 40 -3.604 9.928 -19.211 1.00 0.00 N ATOM 829 CA GLU A 40 -3.375 10.792 -18.041 1.00 0.00 C ATOM 830 C GLU A 40 -3.202 12.254 -18.498 1.00 0.00 C ATOM 831 O GLU A 40 -3.962 13.142 -18.096 1.00 0.00 O ATOM 832 CB GLU A 40 -2.117 10.348 -17.248 1.00 0.00 C ATOM 833 CG GLU A 40 -1.984 8.829 -17.033 1.00 0.00 C ATOM 834 CD GLU A 40 -1.042 8.480 -15.868 1.00 0.00 C ATOM 835 OE1 GLU A 40 0.159 8.800 -15.951 1.00 0.00 O ATOM 836 OE2 GLU A 40 -1.506 7.931 -14.844 1.00 0.00 O ATOM 0 H GLU A 40 -2.750 9.666 -19.703 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.242 10.707 -17.386 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.231 10.704 -17.773 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.129 10.838 -16.274 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.969 8.405 -16.839 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.612 8.367 -17.948 1.00 0.00 H new ATOM 843 N TYR A 41 -2.188 12.471 -19.352 1.00 0.00 N ATOM 844 CA TYR A 41 -1.718 13.808 -19.741 1.00 0.00 C ATOM 845 C TYR A 41 -2.476 14.317 -20.981 1.00 0.00 C ATOM 846 O TYR A 41 -2.392 13.711 -22.060 1.00 0.00 O ATOM 847 CB TYR A 41 -0.195 13.772 -20.012 1.00 0.00 C ATOM 848 CG TYR A 41 0.660 13.367 -18.793 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.929 12.024 -18.510 1.00 0.00 C ATOM 850 CD2 TYR A 41 1.201 14.327 -17.936 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.698 11.661 -17.417 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.968 13.965 -16.845 1.00 0.00 C ATOM 853 CZ TYR A 41 2.217 12.634 -16.591 1.00 0.00 C ATOM 854 OH TYR A 41 2.993 12.274 -15.503 1.00 0.00 O ATOM 0 H TYR A 41 -1.667 11.714 -19.795 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.915 14.498 -18.921 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.000 13.074 -20.826 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.124 14.757 -20.353 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.530 11.256 -19.156 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.016 15.373 -18.129 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.890 10.618 -17.213 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.372 14.725 -16.192 1.00 0.00 H new ATOM 0 HH TYR A 41 3.281 13.080 -15.025 1.00 0.00 H new ATOM 864 N ASP A 42 -3.214 15.432 -20.809 1.00 0.00 N ATOM 865 CA ASP A 42 -4.005 16.075 -21.893 1.00 0.00 C ATOM 866 C ASP A 42 -3.096 16.619 -23.006 1.00 0.00 C ATOM 867 O ASP A 42 -3.449 16.583 -24.187 1.00 0.00 O ATOM 868 CB ASP A 42 -4.858 17.242 -21.337 1.00 0.00 C ATOM 869 CG ASP A 42 -5.826 16.815 -20.227 1.00 0.00 C ATOM 870 OD1 ASP A 42 -6.889 16.238 -20.536 1.00 0.00 O ATOM 871 OD2 ASP A 42 -5.538 17.071 -19.041 1.00 0.00 O ATOM 0 H ASP A 42 -3.283 15.918 -19.915 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.657 15.306 -22.307 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.194 18.016 -20.952 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.427 17.687 -22.153 1.00 0.00 H new ATOM 876 N GLY A 43 -1.916 17.119 -22.598 1.00 0.00 N ATOM 877 CA GLY A 43 -0.937 17.699 -23.519 1.00 0.00 C ATOM 878 C GLY A 43 -0.146 16.660 -24.310 1.00 0.00 C ATOM 879 O GLY A 43 0.728 17.027 -25.091 1.00 0.00 O ATOM 0 H GLY A 43 -1.620 17.130 -21.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.454 18.357 -24.217 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.241 18.318 -22.953 1.00 0.00 H new ATOM 883 N LEU A 44 -0.397 15.361 -24.048 1.00 0.00 N ATOM 884 CA LEU A 44 0.168 14.246 -24.838 1.00 0.00 C ATOM 885 C LEU A 44 -0.891 13.648 -25.777 1.00 0.00 C ATOM 886 O LEU A 44 -0.539 12.947 -26.722 1.00 0.00 O ATOM 887 CB LEU A 44 0.723 13.132 -23.907 1.00 0.00 C ATOM 888 CG LEU A 44 2.008 13.474 -23.090 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.489 12.278 -22.241 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.136 13.992 -24.002 1.00 0.00 C ATOM 0 H LEU A 44 -0.997 15.055 -23.282 1.00 0.00 H new ATOM 0 HA LEU A 44 0.986 14.649 -25.436 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.062 12.854 -23.204 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.932 12.253 -24.516 1.00 0.00 H new ATOM 0 HG LEU A 44 1.739 14.275 -22.401 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.385 12.561 -21.689 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.706 11.992 -21.539 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.716 11.436 -22.895 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.015 14.220 -23.399 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.389 13.229 -24.738 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.804 14.894 -24.515 1.00 0.00 H new ATOM 902 N ALA A 45 -2.171 13.964 -25.528 1.00 0.00 N ATOM 903 CA ALA A 45 -3.320 13.339 -26.215 1.00 0.00 C ATOM 904 C ALA A 45 -3.281 13.548 -27.753 1.00 0.00 C ATOM 905 O ALA A 45 -3.260 14.693 -28.230 1.00 0.00 O ATOM 906 CB ALA A 45 -4.620 13.906 -25.626 1.00 0.00 C ATOM 0 H ALA A 45 -2.444 14.665 -24.840 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.269 12.263 -26.050 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.475 13.451 -26.126 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.663 13.684 -24.560 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.646 14.986 -25.773 1.00 0.00 H new ATOM 912 N GLY A 46 -3.249 12.424 -28.503 1.00 0.00 N ATOM 913 CA GLY A 46 -3.354 12.422 -29.971 1.00 0.00 C ATOM 914 C GLY A 46 -2.083 12.819 -30.722 1.00 0.00 C ATOM 915 O GLY A 46 -2.085 12.855 -31.955 1.00 0.00 O ATOM 0 H GLY A 46 -3.149 11.492 -28.101 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.650 11.424 -30.295 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.154 13.102 -30.262 1.00 0.00 H new ATOM 919 N ARG A 47 -0.994 13.118 -29.990 1.00 0.00 N ATOM 920 CA ARG A 47 0.292 13.596 -30.581 1.00 0.00 C ATOM 921 C ARG A 47 1.454 12.627 -30.279 1.00 0.00 C ATOM 922 O ARG A 47 2.586 12.862 -30.713 1.00 0.00 O ATOM 923 CB ARG A 47 0.621 15.046 -30.103 1.00 0.00 C ATOM 924 CG ARG A 47 0.185 15.341 -28.658 1.00 0.00 C ATOM 925 CD ARG A 47 0.717 16.658 -28.096 1.00 0.00 C ATOM 926 NE ARG A 47 0.516 17.809 -28.987 1.00 0.00 N ATOM 927 CZ ARG A 47 0.885 19.068 -28.707 1.00 0.00 C ATOM 928 NH1 ARG A 47 1.477 19.371 -27.552 1.00 0.00 N ATOM 929 NH2 ARG A 47 0.647 20.024 -29.582 1.00 0.00 N ATOM 0 H ARG A 47 -0.970 13.039 -28.973 1.00 0.00 H new ATOM 0 HA ARG A 47 0.168 13.620 -31.664 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.695 15.211 -30.189 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.135 15.757 -30.771 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.904 15.355 -28.615 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.518 14.525 -28.017 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.228 16.859 -27.143 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.782 16.551 -27.892 1.00 0.00 H new ATOM 0 HE ARG A 47 0.062 17.638 -29.885 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.656 18.640 -26.864 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.751 20.334 -27.356 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.185 19.804 -30.465 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.924 20.984 -29.377 1.00 0.00 H new ATOM 943 N LEU A 48 1.155 11.537 -29.556 1.00 0.00 N ATOM 944 CA LEU A 48 2.116 10.438 -29.285 1.00 0.00 C ATOM 945 C LEU A 48 1.597 9.117 -29.887 1.00 0.00 C ATOM 946 O LEU A 48 2.258 8.083 -29.792 1.00 0.00 O ATOM 947 CB LEU A 48 2.384 10.309 -27.755 1.00 0.00 C ATOM 948 CG LEU A 48 1.331 9.593 -26.846 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.655 9.843 -25.360 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.126 9.947 -27.176 1.00 0.00 C ATOM 0 H LEU A 48 0.237 11.385 -29.137 1.00 0.00 H new ATOM 0 HA LEU A 48 3.067 10.672 -29.764 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.332 9.784 -27.633 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.524 11.316 -27.362 1.00 0.00 H new ATOM 0 HG LEU A 48 1.413 8.527 -27.057 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.916 9.340 -24.737 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.647 9.452 -25.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.632 10.914 -25.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.793 9.410 -26.501 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.276 11.020 -27.056 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.345 9.663 -28.205 1.00 0.00 H new ATOM 962 N ILE A 49 0.379 9.181 -30.471 1.00 0.00 N ATOM 963 CA ILE A 49 -0.216 8.119 -31.314 1.00 0.00 C ATOM 964 C ILE A 49 -0.794 8.776 -32.576 1.00 0.00 C ATOM 965 O ILE A 49 -1.405 9.849 -32.488 1.00 0.00 O ATOM 966 CB ILE A 49 -1.355 7.313 -30.584 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.766 6.471 -29.421 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.159 6.398 -31.569 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.764 5.586 -28.716 1.00 0.00 C ATOM 0 H ILE A 49 -0.232 9.991 -30.367 1.00 0.00 H new ATOM 0 HA ILE A 49 0.572 7.404 -31.552 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.055 8.043 -30.177 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.039 5.848 -29.812 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.320 7.146 -28.691 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.933 5.863 -31.019 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.622 7.013 -32.341 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.482 5.681 -32.034 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.263 5.036 -27.919 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.558 6.200 -28.290 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.193 4.882 -29.429 1.00 0.00 H new ATOM 981 N GLU A 50 -0.569 8.147 -33.734 1.00 0.00 N ATOM 982 CA GLU A 50 -1.250 8.508 -34.989 1.00 0.00 C ATOM 983 C GLU A 50 -1.696 7.214 -35.702 1.00 0.00 C ATOM 984 O GLU A 50 -0.859 6.476 -36.204 1.00 0.00 O ATOM 985 CB GLU A 50 -0.295 9.348 -35.890 1.00 0.00 C ATOM 986 CG GLU A 50 -0.965 10.257 -36.953 1.00 0.00 C ATOM 987 CD GLU A 50 -1.717 9.504 -38.059 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.058 8.877 -38.909 1.00 0.00 O ATOM 989 OE2 GLU A 50 -2.969 9.525 -38.074 1.00 0.00 O ATOM 0 H GLU A 50 0.089 7.374 -33.831 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.129 9.117 -34.779 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.319 9.975 -35.244 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.379 8.663 -36.404 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.662 10.928 -36.450 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.198 10.880 -37.413 1.00 0.00 H new ATOM 996 N ASP A 51 -3.013 6.956 -35.709 1.00 0.00 N ATOM 997 CA ASP A 51 -3.659 5.872 -36.500 1.00 0.00 C ATOM 998 C ASP A 51 -3.090 4.462 -36.158 1.00 0.00 C ATOM 999 O ASP A 51 -3.072 3.550 -36.997 1.00 0.00 O ATOM 1000 CB ASP A 51 -3.548 6.206 -38.025 1.00 0.00 C ATOM 1001 CG ASP A 51 -4.482 5.377 -38.930 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -5.710 5.379 -38.689 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -4.004 4.747 -39.892 1.00 0.00 O ATOM 0 H ASP A 51 -3.679 7.499 -35.159 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.714 5.828 -36.229 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.768 7.264 -38.169 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.518 6.048 -38.345 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.687 4.286 -34.887 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.197 3.003 -34.372 1.00 0.00 C ATOM 1010 C GLY A 52 -0.690 2.809 -34.452 1.00 0.00 C ATOM 1011 O GLY A 52 -0.190 1.737 -34.087 1.00 0.00 O ATOM 0 H GLY A 52 -2.693 5.032 -34.191 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.506 2.905 -33.331 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.681 2.198 -34.925 1.00 0.00 H new ATOM 1015 N GLU A 53 0.048 3.817 -34.953 1.00 0.00 N ATOM 1016 CA GLU A 53 1.521 3.881 -34.805 1.00 0.00 C ATOM 1017 C GLU A 53 1.885 4.998 -33.825 1.00 0.00 C ATOM 1018 O GLU A 53 0.992 5.609 -33.212 1.00 0.00 O ATOM 1019 CB GLU A 53 2.252 4.097 -36.152 1.00 0.00 C ATOM 1020 CG GLU A 53 1.884 5.400 -36.880 1.00 0.00 C ATOM 1021 CD GLU A 53 2.936 5.842 -37.907 1.00 0.00 C ATOM 1022 OE1 GLU A 53 2.886 5.378 -39.064 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.840 6.638 -37.552 1.00 0.00 O ATOM 0 H GLU A 53 -0.350 4.603 -35.467 1.00 0.00 H new ATOM 0 HA GLU A 53 1.852 2.916 -34.420 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.327 4.088 -35.972 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.032 3.255 -36.809 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.927 5.268 -37.385 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.749 6.193 -36.144 1.00 0.00 H new ATOM 1030 N VAL A 54 3.203 5.247 -33.670 1.00 0.00 N ATOM 1031 CA VAL A 54 3.701 6.271 -32.763 1.00 0.00 C ATOM 1032 C VAL A 54 3.287 7.694 -33.225 1.00 0.00 C ATOM 1033 O VAL A 54 2.604 8.360 -32.479 1.00 0.00 O ATOM 1034 CB VAL A 54 5.268 6.162 -32.549 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.612 4.874 -31.761 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.058 6.211 -33.887 1.00 0.00 C ATOM 0 H VAL A 54 3.935 4.743 -34.170 1.00 0.00 H new ATOM 0 HA VAL A 54 3.233 6.093 -31.795 1.00 0.00 H new ATOM 0 HB VAL A 54 5.575 7.033 -31.970 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.691 4.811 -31.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.120 4.900 -30.789 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.267 4.003 -32.319 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.126 6.133 -33.682 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.749 5.382 -34.523 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.854 7.153 -34.395 1.00 0.00 H new ATOM 1046 N LYS A 55 3.623 8.077 -34.480 1.00 0.00 N ATOM 1047 CA LYS A 55 3.351 9.423 -35.084 1.00 0.00 C ATOM 1048 C LYS A 55 4.457 9.714 -36.110 1.00 0.00 C ATOM 1049 O LYS A 55 5.636 9.411 -35.843 1.00 0.00 O ATOM 1050 CB LYS A 55 3.280 10.596 -34.033 1.00 0.00 C ATOM 1051 CG LYS A 55 3.202 12.058 -34.546 1.00 0.00 C ATOM 1052 CD LYS A 55 1.799 12.473 -35.045 1.00 0.00 C ATOM 1053 CE LYS A 55 0.719 12.350 -33.955 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.628 12.751 -34.431 1.00 0.00 N ATOM 0 H LYS A 55 4.103 7.449 -35.125 1.00 0.00 H new ATOM 0 HA LYS A 55 2.365 9.381 -35.546 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.408 10.421 -33.402 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.158 10.518 -33.392 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.505 12.731 -33.744 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.918 12.187 -35.358 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.835 13.503 -35.401 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.522 11.851 -35.896 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.682 11.320 -33.601 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.997 12.970 -33.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.165 13.167 -33.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.532 13.452 -35.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.132 11.915 -34.790 1.00 0.00 H new ATOM 1068 N PRO A 56 4.111 10.278 -37.303 1.00 0.00 N ATOM 1069 CA PRO A 56 5.096 10.861 -38.231 1.00 0.00 C ATOM 1070 C PRO A 56 5.932 11.951 -37.523 1.00 0.00 C ATOM 1071 O PRO A 56 5.377 12.826 -36.849 1.00 0.00 O ATOM 1072 CB PRO A 56 4.210 11.472 -39.363 1.00 0.00 C ATOM 1073 CG PRO A 56 2.839 11.561 -38.757 1.00 0.00 C ATOM 1074 CD PRO A 56 2.739 10.358 -37.866 1.00 0.00 C ATOM 0 HA PRO A 56 5.816 10.135 -38.607 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.575 12.453 -39.667 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.211 10.842 -40.252 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.715 12.484 -38.191 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.065 11.551 -39.525 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.986 10.487 -37.089 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.473 9.459 -38.422 1.00 0.00 H new ATOM 1082 N HIS A 57 7.262 11.836 -37.643 1.00 0.00 N ATOM 1083 CA HIS A 57 8.248 12.853 -37.199 1.00 0.00 C ATOM 1084 C HIS A 57 8.455 12.912 -35.667 1.00 0.00 C ATOM 1085 O HIS A 57 9.332 13.666 -35.212 1.00 0.00 O ATOM 1086 CB HIS A 57 7.921 14.270 -37.768 1.00 0.00 C ATOM 1087 CG HIS A 57 7.903 14.337 -39.280 1.00 0.00 C ATOM 1088 ND1 HIS A 57 9.018 14.643 -40.029 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.897 14.163 -40.174 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.698 14.655 -41.306 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.418 14.366 -41.421 1.00 0.00 N ATOM 0 H HIS A 57 7.701 11.016 -38.061 1.00 0.00 H new ATOM 0 HA HIS A 57 9.197 12.519 -37.618 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.950 14.587 -37.389 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.657 14.980 -37.392 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.873 13.910 -39.943 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.372 14.866 -42.123 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.900 14.304 -42.298 1.00 0.00 H new ATOM 1100 N VAL A 58 7.680 12.136 -34.874 1.00 0.00 N ATOM 1101 CA VAL A 58 7.909 12.033 -33.413 1.00 0.00 C ATOM 1102 C VAL A 58 9.149 11.148 -33.192 1.00 0.00 C ATOM 1103 O VAL A 58 9.279 10.099 -33.834 1.00 0.00 O ATOM 1104 CB VAL A 58 6.646 11.468 -32.623 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.520 9.922 -32.672 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.629 11.959 -31.160 1.00 0.00 C ATOM 0 H VAL A 58 6.898 11.577 -35.216 1.00 0.00 H new ATOM 0 HA VAL A 58 8.074 13.033 -33.011 1.00 0.00 H new ATOM 0 HB VAL A 58 5.777 11.869 -33.145 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.638 9.611 -32.113 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.426 9.597 -33.708 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.408 9.470 -32.229 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.754 11.555 -30.651 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.533 11.622 -30.652 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.588 13.048 -31.142 1.00 0.00 H new ATOM 1116 N ASN A 59 10.090 11.592 -32.351 1.00 0.00 N ATOM 1117 CA ASN A 59 11.323 10.830 -32.095 1.00 0.00 C ATOM 1118 C ASN A 59 11.179 10.096 -30.766 1.00 0.00 C ATOM 1119 O ASN A 59 11.303 10.687 -29.708 1.00 0.00 O ATOM 1120 CB ASN A 59 12.540 11.789 -32.092 1.00 0.00 C ATOM 1121 CG ASN A 59 12.774 12.451 -33.450 1.00 0.00 C ATOM 1122 OD1 ASN A 59 13.603 11.836 -34.284 1.00 0.00 O flip ATOM 1123 ND2 ASN A 59 12.217 13.510 -33.750 1.00 0.00 N flip ATOM 0 H ASN A 59 10.024 12.471 -31.837 1.00 0.00 H new ATOM 0 HA ASN A 59 11.488 10.093 -32.881 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.387 12.561 -31.338 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.433 11.235 -31.804 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.585 13.959 -33.088 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.389 13.936 -34.661 1.00 0.00 H new ATOM 1130 N VAL A 60 10.930 8.790 -30.837 1.00 0.00 N ATOM 1131 CA VAL A 60 10.699 7.948 -29.655 1.00 0.00 C ATOM 1132 C VAL A 60 11.758 6.853 -29.587 1.00 0.00 C ATOM 1133 O VAL A 60 12.104 6.245 -30.594 1.00 0.00 O ATOM 1134 CB VAL A 60 9.257 7.331 -29.628 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.200 8.374 -29.163 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.865 6.745 -31.006 1.00 0.00 C ATOM 0 H VAL A 60 10.882 8.279 -31.719 1.00 0.00 H new ATOM 0 HA VAL A 60 10.779 8.586 -28.775 1.00 0.00 H new ATOM 0 HB VAL A 60 9.273 6.516 -28.904 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.212 7.913 -29.156 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.447 8.719 -28.159 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.200 9.222 -29.848 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.860 6.326 -30.951 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.888 7.535 -31.757 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.570 5.961 -31.282 1.00 0.00 H new ATOM 1146 N LEU A 61 12.259 6.632 -28.369 1.00 0.00 N ATOM 1147 CA LEU A 61 13.434 5.801 -28.077 1.00 0.00 C ATOM 1148 C LEU A 61 13.065 4.625 -27.175 1.00 0.00 C ATOM 1149 O LEU A 61 11.986 4.585 -26.579 1.00 0.00 O ATOM 1150 CB LEU A 61 14.562 6.637 -27.401 1.00 0.00 C ATOM 1151 CG LEU A 61 15.324 7.667 -28.288 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.448 8.857 -28.704 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.624 8.144 -27.594 1.00 0.00 C ATOM 0 H LEU A 61 11.846 7.039 -27.530 1.00 0.00 H new ATOM 0 HA LEU A 61 13.801 5.418 -29.029 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.124 7.176 -26.561 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.294 5.943 -26.988 1.00 0.00 H new ATOM 0 HG LEU A 61 15.595 7.147 -29.207 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.032 9.541 -29.320 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.592 8.497 -29.274 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.098 9.380 -27.814 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.136 8.862 -28.235 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.377 8.617 -26.644 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.275 7.289 -27.414 1.00 0.00 H new ATOM 1165 N LYS A 62 14.024 3.703 -27.050 1.00 0.00 N ATOM 1166 CA LYS A 62 13.880 2.476 -26.277 1.00 0.00 C ATOM 1167 C LYS A 62 15.281 1.887 -26.031 1.00 0.00 C ATOM 1168 O LYS A 62 15.910 1.356 -26.948 1.00 0.00 O ATOM 1169 CB LYS A 62 12.957 1.495 -27.040 1.00 0.00 C ATOM 1170 CG LYS A 62 12.747 0.087 -26.450 1.00 0.00 C ATOM 1171 CD LYS A 62 12.122 0.047 -25.031 1.00 0.00 C ATOM 1172 CE LYS A 62 13.173 0.091 -23.913 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.217 -0.943 -24.117 1.00 0.00 N ATOM 0 H LYS A 62 14.938 3.795 -27.494 1.00 0.00 H new ATOM 0 HA LYS A 62 13.418 2.671 -25.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.978 1.965 -27.137 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.355 1.378 -28.048 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.108 -0.480 -27.126 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.710 -0.423 -26.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.441 0.890 -24.916 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.527 -0.860 -24.927 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.635 1.078 -23.884 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.689 -0.063 -22.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.846 -0.970 -23.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.766 -1.872 -24.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.772 -0.713 -24.966 1.00 0.00 H new ATOM 1187 N ASN A 63 15.745 2.031 -24.775 1.00 0.00 N ATOM 1188 CA ASN A 63 17.103 1.648 -24.316 1.00 0.00 C ATOM 1189 C ASN A 63 18.170 2.426 -25.131 1.00 0.00 C ATOM 1190 O ASN A 63 19.224 1.897 -25.499 1.00 0.00 O ATOM 1191 CB ASN A 63 17.302 0.095 -24.364 1.00 0.00 C ATOM 1192 CG ASN A 63 18.460 -0.412 -23.483 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.597 -0.523 -23.928 1.00 0.00 O ATOM 1194 ND2 ASN A 63 18.180 -0.731 -22.224 1.00 0.00 N ATOM 0 H ASN A 63 15.174 2.427 -24.028 1.00 0.00 H new ATOM 0 HA ASN A 63 17.225 1.928 -23.270 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.378 -0.390 -24.048 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.484 -0.207 -25.396 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.917 -1.075 -21.609 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.228 -0.632 -21.872 1.00 0.00 H new ATOM 1201 N GLY A 64 17.847 3.705 -25.417 1.00 0.00 N ATOM 1202 CA GLY A 64 18.704 4.610 -26.196 1.00 0.00 C ATOM 1203 C GLY A 64 18.520 4.477 -27.711 1.00 0.00 C ATOM 1204 O GLY A 64 18.938 5.364 -28.462 1.00 0.00 O ATOM 0 H GLY A 64 16.976 4.137 -25.109 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.494 5.638 -25.902 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.747 4.414 -25.947 1.00 0.00 H new ATOM 1208 N ARG A 65 17.865 3.393 -28.163 1.00 0.00 N ATOM 1209 CA ARG A 65 17.669 3.108 -29.597 1.00 0.00 C ATOM 1210 C ARG A 65 16.317 3.667 -30.051 1.00 0.00 C ATOM 1211 O ARG A 65 15.272 3.255 -29.534 1.00 0.00 O ATOM 1212 CB ARG A 65 17.738 1.582 -29.882 1.00 0.00 C ATOM 1213 CG ARG A 65 17.866 1.202 -31.387 1.00 0.00 C ATOM 1214 CD ARG A 65 19.296 1.408 -31.954 1.00 0.00 C ATOM 1215 NE ARG A 65 19.711 2.837 -32.002 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.893 3.332 -31.581 1.00 0.00 C ATOM 1217 NH1 ARG A 65 21.778 2.553 -30.974 1.00 0.00 N ATOM 1218 NH2 ARG A 65 21.166 4.616 -31.736 1.00 0.00 N ATOM 0 H ARG A 65 17.457 2.690 -27.546 1.00 0.00 H new ATOM 0 HA ARG A 65 18.471 3.590 -30.157 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.588 1.164 -29.343 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.842 1.111 -29.478 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.578 0.159 -31.517 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.163 1.801 -31.967 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.006 0.851 -31.342 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.345 0.989 -32.959 1.00 0.00 H new ATOM 0 HE ARG A 65 19.041 3.502 -32.388 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.569 1.567 -30.820 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.668 2.940 -30.661 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.483 5.233 -32.174 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.060 4.989 -31.417 1.00 0.00 H new ATOM 1232 N GLU A 66 16.343 4.601 -31.013 1.00 0.00 N ATOM 1233 CA GLU A 66 15.142 5.312 -31.463 1.00 0.00 C ATOM 1234 C GLU A 66 14.285 4.381 -32.349 1.00 0.00 C ATOM 1235 O GLU A 66 14.662 4.050 -33.474 1.00 0.00 O ATOM 1236 CB GLU A 66 15.540 6.607 -32.204 1.00 0.00 C ATOM 1237 CG GLU A 66 14.456 7.692 -32.248 1.00 0.00 C ATOM 1238 CD GLU A 66 14.914 8.930 -33.018 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.888 8.915 -34.260 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.351 9.909 -32.387 1.00 0.00 O ATOM 0 H GLU A 66 17.195 4.882 -31.498 1.00 0.00 H new ATOM 0 HA GLU A 66 14.540 5.599 -30.601 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.428 7.022 -31.727 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.818 6.351 -33.227 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.557 7.288 -32.714 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.187 7.977 -31.231 1.00 0.00 H new ATOM 1247 N VAL A 67 13.137 3.966 -31.807 1.00 0.00 N ATOM 1248 CA VAL A 67 12.256 2.940 -32.404 1.00 0.00 C ATOM 1249 C VAL A 67 11.504 3.391 -33.661 1.00 0.00 C ATOM 1250 O VAL A 67 10.748 2.605 -34.222 1.00 0.00 O ATOM 1251 CB VAL A 67 11.268 2.337 -31.346 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.046 1.528 -30.307 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.403 3.429 -30.670 1.00 0.00 C ATOM 0 H VAL A 67 12.781 4.336 -30.925 1.00 0.00 H new ATOM 0 HA VAL A 67 12.936 2.157 -32.739 1.00 0.00 H new ATOM 0 HB VAL A 67 10.580 1.672 -31.869 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.353 1.113 -29.576 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.580 0.717 -30.803 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.761 2.177 -29.801 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.734 2.966 -29.945 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.051 4.143 -30.162 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.815 3.948 -31.427 1.00 0.00 H new ATOM 1263 N VAL A 68 11.695 4.645 -34.098 1.00 0.00 N ATOM 1264 CA VAL A 68 11.155 5.122 -35.391 1.00 0.00 C ATOM 1265 C VAL A 68 11.896 4.457 -36.582 1.00 0.00 C ATOM 1266 O VAL A 68 11.387 4.444 -37.706 1.00 0.00 O ATOM 1267 CB VAL A 68 11.224 6.689 -35.510 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.654 7.348 -34.236 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.657 7.198 -35.816 1.00 0.00 C ATOM 0 H VAL A 68 12.218 5.350 -33.579 1.00 0.00 H new ATOM 0 HA VAL A 68 10.105 4.831 -35.427 1.00 0.00 H new ATOM 0 HB VAL A 68 10.607 6.980 -36.360 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.708 8.432 -34.332 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.615 7.047 -34.104 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.236 7.031 -33.371 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.649 8.286 -35.888 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.330 6.892 -35.015 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.000 6.774 -36.760 1.00 0.00 H new ATOM 1279 N HIS A 69 13.114 3.926 -36.313 1.00 0.00 N ATOM 1280 CA HIS A 69 13.950 3.226 -37.322 1.00 0.00 C ATOM 1281 C HIS A 69 13.604 1.720 -37.372 1.00 0.00 C ATOM 1282 O HIS A 69 13.912 1.031 -38.352 1.00 0.00 O ATOM 1283 CB HIS A 69 15.459 3.421 -36.995 1.00 0.00 C ATOM 1284 CG HIS A 69 15.854 4.866 -36.794 1.00 0.00 C ATOM 1285 ND1 HIS A 69 16.092 5.574 -35.665 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 16.002 5.757 -37.829 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 16.356 6.859 -36.034 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 16.301 6.944 -37.345 1.00 0.00 N flip ATOM 0 H HIS A 69 13.546 3.971 -35.390 1.00 0.00 H new ATOM 0 HA HIS A 69 13.741 3.657 -38.301 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.702 2.858 -36.094 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.055 3.000 -37.805 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.890 5.520 -38.877 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.575 7.674 -35.360 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.463 7.788 -37.895 1.00 0.00 H new ATOM 1297 N LEU A 70 12.969 1.227 -36.288 1.00 0.00 N ATOM 1298 CA LEU A 70 12.555 -0.183 -36.124 1.00 0.00 C ATOM 1299 C LEU A 70 11.067 -0.232 -35.684 1.00 0.00 C ATOM 1300 O LEU A 70 10.274 0.625 -36.105 1.00 0.00 O ATOM 1301 CB LEU A 70 13.515 -0.927 -35.123 1.00 0.00 C ATOM 1302 CG LEU A 70 13.781 -0.249 -33.725 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.134 -1.292 -32.640 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.903 0.816 -33.819 1.00 0.00 C ATOM 0 H LEU A 70 12.725 1.809 -35.487 1.00 0.00 H new ATOM 0 HA LEU A 70 12.636 -0.711 -37.074 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.106 -1.921 -34.942 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.476 -1.063 -35.618 1.00 0.00 H new ATOM 0 HG LEU A 70 12.854 0.245 -33.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.310 -0.785 -31.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.308 -1.994 -32.528 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.033 -1.833 -32.934 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.062 1.265 -32.838 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.826 0.344 -34.156 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.612 1.590 -34.529 1.00 0.00 H new ATOM 1316 N ASP A 71 10.673 -1.245 -34.887 1.00 0.00 N ATOM 1317 CA ASP A 71 9.290 -1.386 -34.390 1.00 0.00 C ATOM 1318 C ASP A 71 8.998 -0.338 -33.292 1.00 0.00 C ATOM 1319 O ASP A 71 9.530 -0.440 -32.177 1.00 0.00 O ATOM 1320 CB ASP A 71 9.066 -2.810 -33.832 1.00 0.00 C ATOM 1321 CG ASP A 71 9.448 -3.919 -34.824 1.00 0.00 C ATOM 1322 OD1 ASP A 71 10.635 -4.314 -34.862 1.00 0.00 O ATOM 1323 OD2 ASP A 71 8.572 -4.407 -35.571 1.00 0.00 O ATOM 0 H ASP A 71 11.301 -1.985 -34.571 1.00 0.00 H new ATOM 0 HA ASP A 71 8.607 -1.219 -35.223 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.650 -2.931 -32.920 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.018 -2.924 -33.557 1.00 0.00 H new ATOM 1328 N GLY A 72 8.162 0.663 -33.619 1.00 0.00 N ATOM 1329 CA GLY A 72 7.820 1.744 -32.682 1.00 0.00 C ATOM 1330 C GLY A 72 6.766 1.359 -31.655 1.00 0.00 C ATOM 1331 O GLY A 72 6.816 1.813 -30.511 1.00 0.00 O ATOM 0 H GLY A 72 7.710 0.744 -34.530 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.724 2.059 -32.160 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.464 2.604 -33.249 1.00 0.00 H new ATOM 1335 N MET A 73 5.777 0.565 -32.090 1.00 0.00 N ATOM 1336 CA MET A 73 4.659 0.122 -31.234 1.00 0.00 C ATOM 1337 C MET A 73 5.026 -1.086 -30.344 1.00 0.00 C ATOM 1338 O MET A 73 4.433 -1.253 -29.275 1.00 0.00 O ATOM 1339 CB MET A 73 3.395 -0.157 -32.087 1.00 0.00 C ATOM 1340 CG MET A 73 2.944 1.063 -32.900 1.00 0.00 C ATOM 1341 SD MET A 73 2.839 2.575 -31.903 1.00 0.00 S ATOM 1342 CE MET A 73 1.336 2.345 -30.947 1.00 0.00 C ATOM 0 H MET A 73 5.727 0.210 -33.045 1.00 0.00 H new ATOM 0 HA MET A 73 4.437 0.940 -30.549 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.596 -0.986 -32.766 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.583 -0.472 -31.432 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.641 1.224 -33.722 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.970 0.858 -33.344 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.614 3.117 -31.213 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.914 1.363 -31.163 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.567 2.415 -29.884 1.00 0.00 H new ATOM 1352 N ALA A 74 5.997 -1.925 -30.774 1.00 0.00 N ATOM 1353 CA ALA A 74 6.409 -3.121 -29.995 1.00 0.00 C ATOM 1354 C ALA A 74 7.724 -3.719 -30.522 1.00 0.00 C ATOM 1355 O ALA A 74 7.715 -4.599 -31.388 1.00 0.00 O ATOM 1356 CB ALA A 74 5.294 -4.187 -29.992 1.00 0.00 C ATOM 0 H ALA A 74 6.507 -1.800 -31.648 1.00 0.00 H new ATOM 0 HA ALA A 74 6.581 -2.795 -28.969 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.620 -5.053 -29.415 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.393 -3.770 -29.542 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.080 -4.493 -31.016 1.00 0.00 H new ATOM 1362 N THR A 75 8.858 -3.182 -30.047 1.00 0.00 N ATOM 1363 CA THR A 75 10.197 -3.715 -30.366 1.00 0.00 C ATOM 1364 C THR A 75 10.575 -4.934 -29.469 1.00 0.00 C ATOM 1365 O THR A 75 10.520 -6.088 -29.921 1.00 0.00 O ATOM 1366 CB THR A 75 11.297 -2.585 -30.320 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.617 -3.152 -30.334 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.155 -1.665 -29.105 1.00 0.00 C ATOM 0 H THR A 75 8.876 -2.368 -29.432 1.00 0.00 H new ATOM 0 HA THR A 75 10.157 -4.085 -31.391 1.00 0.00 H new ATOM 0 HB THR A 75 11.144 -1.981 -31.214 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.282 -2.433 -30.307 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.939 -0.908 -29.128 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.180 -1.178 -29.129 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.245 -2.253 -28.191 1.00 0.00 H new ATOM 1376 N ALA A 76 10.883 -4.660 -28.180 1.00 0.00 N ATOM 1377 CA ALA A 76 11.570 -5.611 -27.277 1.00 0.00 C ATOM 1378 C ALA A 76 11.617 -5.053 -25.834 1.00 0.00 C ATOM 1379 O ALA A 76 12.548 -5.348 -25.074 1.00 0.00 O ATOM 1380 CB ALA A 76 12.999 -5.913 -27.805 1.00 0.00 C ATOM 0 H ALA A 76 10.661 -3.769 -27.736 1.00 0.00 H new ATOM 0 HA ALA A 76 11.008 -6.545 -27.257 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.495 -6.613 -27.133 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.934 -6.350 -28.801 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.573 -4.987 -27.852 1.00 0.00 H new ATOM 1386 N LEU A 77 10.566 -4.302 -25.437 1.00 0.00 N ATOM 1387 CA LEU A 77 10.534 -3.607 -24.132 1.00 0.00 C ATOM 1388 C LEU A 77 10.295 -4.621 -22.996 1.00 0.00 C ATOM 1389 O LEU A 77 9.311 -5.355 -23.008 1.00 0.00 O ATOM 1390 CB LEU A 77 9.398 -2.539 -24.115 1.00 0.00 C ATOM 1391 CG LEU A 77 9.101 -1.862 -22.733 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.324 -1.148 -22.148 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.911 -0.903 -22.832 1.00 0.00 C ATOM 0 H LEU A 77 9.729 -4.162 -26.002 1.00 0.00 H new ATOM 0 HA LEU A 77 11.494 -3.114 -23.982 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.653 -1.758 -24.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.481 -3.010 -24.469 1.00 0.00 H new ATOM 0 HG LEU A 77 8.844 -2.667 -22.045 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.059 -0.698 -21.191 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.129 -1.868 -22.000 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.655 -0.370 -22.836 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.728 -0.448 -21.858 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.132 -0.123 -23.561 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.025 -1.454 -23.147 1.00 0.00 H new ATOM 1405 N ASP A 78 11.215 -4.645 -22.024 1.00 0.00 N ATOM 1406 CA ASP A 78 11.188 -5.609 -20.903 1.00 0.00 C ATOM 1407 C ASP A 78 11.011 -4.837 -19.571 1.00 0.00 C ATOM 1408 O ASP A 78 10.912 -3.608 -19.579 1.00 0.00 O ATOM 1409 CB ASP A 78 12.509 -6.439 -20.941 1.00 0.00 C ATOM 1410 CG ASP A 78 12.415 -7.776 -20.180 1.00 0.00 C ATOM 1411 OD1 ASP A 78 11.968 -8.783 -20.776 1.00 0.00 O ATOM 1412 OD2 ASP A 78 12.778 -7.833 -18.982 1.00 0.00 O ATOM 0 H ASP A 78 12.003 -3.998 -21.987 1.00 0.00 H new ATOM 0 HA ASP A 78 10.349 -6.300 -20.989 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.774 -6.638 -21.979 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.316 -5.843 -20.515 1.00 0.00 H new ATOM 1417 N ASP A 79 10.928 -5.558 -18.441 1.00 0.00 N ATOM 1418 CA ASP A 79 10.838 -4.949 -17.087 1.00 0.00 C ATOM 1419 C ASP A 79 12.172 -4.294 -16.686 1.00 0.00 C ATOM 1420 O ASP A 79 13.247 -4.760 -17.087 1.00 0.00 O ATOM 1421 CB ASP A 79 10.403 -6.036 -16.053 1.00 0.00 C ATOM 1422 CG ASP A 79 10.618 -5.651 -14.568 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.055 -4.634 -14.109 1.00 0.00 O ATOM 1424 OD2 ASP A 79 11.382 -6.344 -13.865 1.00 0.00 O ATOM 0 H ASP A 79 10.921 -6.578 -18.431 1.00 0.00 H new ATOM 0 HA ASP A 79 10.086 -4.160 -17.101 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.347 -6.259 -16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.955 -6.953 -16.259 1.00 0.00 H new ATOM 1429 N GLY A 80 12.082 -3.204 -15.901 1.00 0.00 N ATOM 1430 CA GLY A 80 13.259 -2.465 -15.422 1.00 0.00 C ATOM 1431 C GLY A 80 13.969 -1.677 -16.515 1.00 0.00 C ATOM 1432 O GLY A 80 15.069 -1.163 -16.293 1.00 0.00 O ATOM 0 H GLY A 80 11.194 -2.814 -15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.951 -1.779 -14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.963 -3.168 -14.977 1.00 0.00 H new ATOM 1436 N ASP A 81 13.323 -1.570 -17.693 1.00 0.00 N ATOM 1437 CA ASP A 81 13.917 -0.950 -18.893 1.00 0.00 C ATOM 1438 C ASP A 81 13.776 0.586 -18.846 1.00 0.00 C ATOM 1439 O ASP A 81 13.178 1.132 -17.917 1.00 0.00 O ATOM 1440 CB ASP A 81 13.256 -1.533 -20.188 1.00 0.00 C ATOM 1441 CG ASP A 81 14.261 -1.966 -21.268 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.275 -1.261 -21.466 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.009 -2.975 -21.977 1.00 0.00 O ATOM 0 H ASP A 81 12.373 -1.912 -17.839 1.00 0.00 H new ATOM 0 HA ASP A 81 14.981 -1.186 -18.913 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.642 -2.391 -19.914 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.587 -0.783 -20.610 1.00 0.00 H new ATOM 1448 N ALA A 82 14.325 1.274 -19.867 1.00 0.00 N ATOM 1449 CA ALA A 82 14.296 2.749 -19.960 1.00 0.00 C ATOM 1450 C ALA A 82 13.833 3.202 -21.359 1.00 0.00 C ATOM 1451 O ALA A 82 14.547 3.023 -22.348 1.00 0.00 O ATOM 1452 CB ALA A 82 15.688 3.316 -19.624 1.00 0.00 C ATOM 0 H ALA A 82 14.800 0.824 -20.650 1.00 0.00 H new ATOM 0 HA ALA A 82 13.577 3.136 -19.238 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.664 4.404 -19.693 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.966 3.023 -18.612 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.421 2.923 -20.329 1.00 0.00 H new ATOM 1458 N VAL A 83 12.615 3.754 -21.436 1.00 0.00 N ATOM 1459 CA VAL A 83 12.054 4.355 -22.662 1.00 0.00 C ATOM 1460 C VAL A 83 12.264 5.882 -22.606 1.00 0.00 C ATOM 1461 O VAL A 83 12.092 6.484 -21.560 1.00 0.00 O ATOM 1462 CB VAL A 83 10.514 4.037 -22.799 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.892 4.627 -24.091 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.234 2.518 -22.695 1.00 0.00 C ATOM 0 H VAL A 83 11.979 3.798 -20.639 1.00 0.00 H new ATOM 0 HA VAL A 83 12.564 3.932 -23.528 1.00 0.00 H new ATOM 0 HB VAL A 83 10.027 4.531 -21.958 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.832 4.377 -24.132 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.009 5.711 -24.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.397 4.209 -24.962 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.164 2.338 -22.794 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.765 1.995 -23.490 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.576 2.150 -21.728 1.00 0.00 H new ATOM 1474 N SER A 84 12.659 6.494 -23.715 1.00 0.00 N ATOM 1475 CA SER A 84 12.777 7.961 -23.832 1.00 0.00 C ATOM 1476 C SER A 84 11.864 8.441 -24.964 1.00 0.00 C ATOM 1477 O SER A 84 11.551 7.659 -25.852 1.00 0.00 O ATOM 1478 CB SER A 84 14.247 8.340 -24.097 1.00 0.00 C ATOM 1479 OG SER A 84 15.059 8.014 -22.981 1.00 0.00 O ATOM 0 H SER A 84 12.910 5.994 -24.568 1.00 0.00 H new ATOM 0 HA SER A 84 12.468 8.445 -22.905 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.609 7.816 -24.982 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.320 9.407 -24.307 1.00 0.00 H new ATOM 0 HG SER A 84 15.989 8.261 -23.170 1.00 0.00 H new ATOM 1485 N VAL A 85 11.400 9.710 -24.924 1.00 0.00 N ATOM 1486 CA VAL A 85 10.538 10.286 -25.980 1.00 0.00 C ATOM 1487 C VAL A 85 10.902 11.765 -26.214 1.00 0.00 C ATOM 1488 O VAL A 85 11.311 12.485 -25.296 1.00 0.00 O ATOM 1489 CB VAL A 85 8.982 10.177 -25.678 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.516 8.716 -25.421 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.570 11.097 -24.519 1.00 0.00 C ATOM 0 H VAL A 85 11.610 10.359 -24.166 1.00 0.00 H new ATOM 0 HA VAL A 85 10.729 9.690 -26.873 1.00 0.00 H new ATOM 0 HB VAL A 85 8.473 10.514 -26.581 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.445 8.706 -25.221 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.727 8.107 -26.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.050 8.310 -24.562 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.500 10.998 -24.339 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.117 10.816 -23.619 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.801 12.131 -24.776 1.00 0.00 H new ATOM 1501 N PHE A 86 10.742 12.181 -27.463 1.00 0.00 N ATOM 1502 CA PHE A 86 10.887 13.562 -27.934 1.00 0.00 C ATOM 1503 C PHE A 86 9.649 13.822 -28.829 1.00 0.00 C ATOM 1504 O PHE A 86 9.256 12.921 -29.585 1.00 0.00 O ATOM 1505 CB PHE A 86 12.176 13.768 -28.799 1.00 0.00 C ATOM 1506 CG PHE A 86 13.519 13.457 -28.127 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.874 12.148 -27.823 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.439 14.464 -27.827 1.00 0.00 C ATOM 1509 CE1 PHE A 86 15.092 11.852 -27.241 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.666 14.162 -27.249 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.985 12.850 -26.957 1.00 0.00 C ATOM 0 H PHE A 86 10.496 11.538 -28.215 1.00 0.00 H new ATOM 0 HA PHE A 86 10.966 14.238 -27.083 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.090 13.146 -29.690 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.197 14.805 -29.135 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.185 11.347 -28.046 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.193 15.492 -28.047 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.341 10.827 -27.009 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.369 14.952 -27.028 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.937 12.612 -26.506 1.00 0.00 H new ATOM 1521 N PRO A 87 9.023 15.029 -28.769 1.00 0.00 N ATOM 1522 CA PRO A 87 7.870 15.405 -29.631 1.00 0.00 C ATOM 1523 C PRO A 87 8.263 15.512 -31.123 1.00 0.00 C ATOM 1524 O PRO A 87 9.463 15.480 -31.450 1.00 0.00 O ATOM 1525 CB PRO A 87 7.439 16.779 -29.045 1.00 0.00 C ATOM 1526 CG PRO A 87 8.682 17.316 -28.446 1.00 0.00 C ATOM 1527 CD PRO A 87 9.379 16.124 -27.852 1.00 0.00 C ATOM 0 HA PRO A 87 7.072 14.662 -29.622 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.051 17.440 -29.820 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.652 16.666 -28.299 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.304 17.802 -29.198 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.461 18.063 -27.684 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.458 16.272 -27.803 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.038 15.924 -26.836 1.00 0.00 H new ATOM 1535 N PRO A 88 7.263 15.612 -32.064 1.00 0.00 N ATOM 1536 CA PRO A 88 7.569 15.782 -33.491 1.00 0.00 C ATOM 1537 C PRO A 88 8.283 17.123 -33.743 1.00 0.00 C ATOM 1538 O PRO A 88 7.837 18.181 -33.280 1.00 0.00 O ATOM 1539 CB PRO A 88 6.183 15.700 -34.182 1.00 0.00 C ATOM 1540 CG PRO A 88 5.198 16.070 -33.113 1.00 0.00 C ATOM 1541 CD PRO A 88 5.791 15.575 -31.815 1.00 0.00 C ATOM 0 HA PRO A 88 8.254 15.028 -33.880 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.122 16.383 -35.029 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.992 14.698 -34.566 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.039 17.148 -33.084 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.228 15.610 -33.300 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.510 16.213 -30.977 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.450 14.567 -31.577 1.00 0.00 H new