USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 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 92 SER OG : rot -70:sc= -0.178 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.517 K(o=-0.69,f=-1.5) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -2.79 F(o=-17!,f=-12) USER MOD Set 2.2: A 98 HIS :FLIP no HD1:sc= -9.75! C(o=-14!,f=-12!) USER MOD Set 2.3: A 106 TYR OH : rot 40:sc= 0.946 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 159:sc= 1.68 (180deg=1) USER MOD Set 3.2: A 39 SER OG : rot 180:sc= 0.32 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= 0.00305 (180deg=-0.266) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 33 CYS SG : rot -126:sc= -2.63! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.767 USER MOD Single : A 56 THR OG1 : rot 110:sc= 0.322 USER MOD Single : A 59 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00935 (180deg=-0.155) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.211 (180deg=-1.36) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 87 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 91 MET CE :methyl -160:sc= -0.521 (180deg=-1.6) USER MOD Single : A 95 TYR OH : rot 105:sc= 1.18 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -109:sc= -0.587 (180deg=-2.17!) USER MOD Single : A 108 THR OG1 : rot -77:sc= 0.0916 USER MOD Single : A 109 TYR OH : rot 50:sc= -1.72 USER MOD Single : A 110 SER OG : rot 180:sc= -1.2 USER MOD Single : A 113 ASN : amide:sc= -2 K(o=-2,f=-4.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.086 8.813 -12.886 1.00 31.44 N ATOM 225 CA ARG A 14 13.000 8.260 -11.900 1.00 14.51 C ATOM 226 C ARG A 14 14.431 8.267 -12.441 1.00 10.25 C ATOM 227 O ARG A 14 15.325 8.854 -11.833 1.00 51.41 O ATOM 228 CB ARG A 14 12.609 6.829 -11.528 1.00 21.31 C ATOM 229 CG ARG A 14 13.461 6.312 -10.367 1.00 11.24 C ATOM 230 CD ARG A 14 13.564 4.786 -10.399 1.00 45.01 C ATOM 231 NE ARG A 14 13.888 4.272 -9.050 1.00 22.14 N ATOM 232 CZ ARG A 14 13.729 2.986 -8.671 1.00 64.34 C ATOM 233 NH1 ARG A 14 13.249 2.071 -9.540 1.00 31.42 N ATOM 234 NH2 ARG A 14 14.051 2.636 -7.440 1.00 10.43 N ATOM 0 HA ARG A 14 12.942 8.883 -11.008 1.00 14.51 H new ATOM 0 HB2 ARG A 14 11.555 6.796 -11.253 1.00 21.31 H new ATOM 0 HB3 ARG A 14 12.733 6.178 -12.393 1.00 21.31 H new ATOM 0 HG2 ARG A 14 14.458 6.748 -10.421 1.00 11.24 H new ATOM 0 HG3 ARG A 14 13.024 6.631 -9.421 1.00 11.24 H new ATOM 0 HD2 ARG A 14 12.623 4.357 -10.744 1.00 45.01 H new ATOM 0 HD3 ARG A 14 14.333 4.480 -11.108 1.00 45.01 H new ATOM 0 HE ARG A 14 14.255 4.931 -8.363 1.00 22.14 H new ATOM 0 HH11 ARG A 14 13.004 2.349 -10.490 1.00 31.42 H new ATOM 0 HH12 ARG A 14 13.132 1.101 -9.246 1.00 31.42 H new ATOM 0 HH21 ARG A 14 14.414 3.333 -6.790 1.00 10.43 H new ATOM 0 HH22 ARG A 14 13.937 1.668 -7.138 1.00 10.43 H new ATOM 247 N LYS A 15 14.604 7.608 -13.577 1.00 34.45 N ATOM 248 CA LYS A 15 15.911 7.530 -14.206 1.00 0.22 C ATOM 249 C LYS A 15 16.415 8.945 -14.500 1.00 22.52 C ATOM 250 O LYS A 15 17.616 9.159 -14.658 1.00 70.24 O ATOM 251 CB LYS A 15 15.859 6.627 -15.440 1.00 22.14 C ATOM 252 CG LYS A 15 17.193 6.645 -16.189 1.00 40.41 C ATOM 253 CD LYS A 15 17.106 5.835 -17.484 1.00 33.12 C ATOM 254 CE LYS A 15 18.159 6.298 -18.492 1.00 72.25 C ATOM 255 NZ LYS A 15 19.491 6.373 -17.853 1.00 24.21 N ATOM 0 H LYS A 15 13.860 7.123 -14.078 1.00 34.45 H new ATOM 0 HA LYS A 15 16.632 7.067 -13.532 1.00 0.22 H new ATOM 0 HB2 LYS A 15 15.621 5.607 -15.139 1.00 22.14 H new ATOM 0 HB3 LYS A 15 15.061 6.958 -16.104 1.00 22.14 H new ATOM 0 HG2 LYS A 15 17.472 7.674 -16.417 1.00 40.41 H new ATOM 0 HG3 LYS A 15 17.977 6.236 -15.552 1.00 40.41 H new ATOM 0 HD2 LYS A 15 17.247 4.777 -17.265 1.00 33.12 H new ATOM 0 HD3 LYS A 15 16.111 5.941 -17.917 1.00 33.12 H new ATOM 0 HE2 LYS A 15 18.192 5.608 -19.335 1.00 72.25 H new ATOM 0 HE3 LYS A 15 17.885 7.275 -18.890 1.00 72.25 H new ATOM 0 HZ1 LYS A 15 20.223 6.116 -18.546 1.00 24.21 H new ATOM 0 HZ2 LYS A 15 19.659 7.342 -17.514 1.00 24.21 H new ATOM 0 HZ3 LYS A 15 19.528 5.714 -17.050 1.00 24.21 H new ATOM 268 N ALA A 16 15.472 9.873 -14.564 1.00 3.14 N ATOM 269 CA ALA A 16 15.806 11.261 -14.836 1.00 31.12 C ATOM 270 C ALA A 16 16.502 11.863 -13.614 1.00 24.44 C ATOM 271 O ALA A 16 17.647 12.305 -13.702 1.00 54.42 O ATOM 272 CB ALA A 16 14.537 12.025 -15.219 1.00 1.31 C ATOM 0 H ALA A 16 14.477 9.691 -14.432 1.00 3.14 H new ATOM 0 HA ALA A 16 16.496 11.332 -15.676 1.00 31.12 H new ATOM 0 HB1 ALA A 16 14.787 13.066 -15.423 1.00 1.31 H new ATOM 0 HB2 ALA A 16 14.097 11.576 -16.109 1.00 1.31 H new ATOM 0 HB3 ALA A 16 13.822 11.978 -14.398 1.00 1.31 H new ATOM 278 N GLU A 17 15.783 11.859 -12.501 1.00 41.20 N ATOM 279 CA GLU A 17 16.318 12.399 -11.263 1.00 13.35 C ATOM 280 C GLU A 17 17.736 11.877 -11.024 1.00 41.34 C ATOM 281 O GLU A 17 18.534 12.525 -10.349 1.00 65.11 O ATOM 282 CB GLU A 17 15.405 12.066 -10.080 1.00 44.53 C ATOM 283 CG GLU A 17 15.550 13.106 -8.967 1.00 32.33 C ATOM 284 CD GLU A 17 14.294 13.153 -8.094 1.00 73.43 C ATOM 285 OE1 GLU A 17 13.302 12.474 -8.399 1.00 33.32 O ATOM 286 OE2 GLU A 17 14.372 13.928 -7.066 1.00 45.04 O ATOM 0 H GLU A 17 14.835 11.490 -12.431 1.00 41.20 H new ATOM 0 HA GLU A 17 16.362 13.484 -11.353 1.00 13.35 H new ATOM 0 HB2 GLU A 17 14.368 12.029 -10.415 1.00 44.53 H new ATOM 0 HB3 GLU A 17 15.651 11.077 -9.693 1.00 44.53 H new ATOM 0 HG2 GLU A 17 16.417 12.866 -8.351 1.00 32.33 H new ATOM 0 HG3 GLU A 17 15.731 14.088 -9.403 1.00 32.33 H new ATOM 294 N SER A 18 18.006 10.711 -11.592 1.00 43.13 N ATOM 295 CA SER A 18 19.314 10.095 -11.450 1.00 65.23 C ATOM 296 C SER A 18 20.295 10.712 -12.450 1.00 30.04 C ATOM 297 O SER A 18 21.449 10.972 -12.113 1.00 10.24 O ATOM 298 CB SER A 18 19.234 8.580 -11.652 1.00 5.34 C ATOM 299 OG SER A 18 20.355 7.907 -11.085 1.00 63.54 O ATOM 0 H SER A 18 17.341 10.177 -12.151 1.00 43.13 H new ATOM 0 HA SER A 18 19.672 10.282 -10.437 1.00 65.23 H new ATOM 0 HB2 SER A 18 18.317 8.202 -11.200 1.00 5.34 H new ATOM 0 HB3 SER A 18 19.179 8.359 -12.718 1.00 5.34 H new ATOM 0 HG SER A 18 20.267 6.942 -11.233 1.00 63.54 H new ATOM 305 N GLU A 19 19.800 10.928 -13.659 1.00 54.42 N ATOM 306 CA GLU A 19 20.618 11.510 -14.710 1.00 15.11 C ATOM 307 C GLU A 19 21.317 12.772 -14.201 1.00 25.34 C ATOM 308 O GLU A 19 22.450 13.057 -14.588 1.00 33.14 O ATOM 309 CB GLU A 19 19.779 11.812 -15.953 1.00 42.45 C ATOM 310 CG GLU A 19 19.504 10.537 -16.753 1.00 2.03 C ATOM 311 CD GLU A 19 20.602 10.293 -17.790 1.00 72.04 C ATOM 312 OE1 GLU A 19 21.118 9.170 -17.894 1.00 43.52 O ATOM 313 OE2 GLU A 19 20.914 11.320 -18.506 1.00 11.12 O ATOM 0 H GLU A 19 18.842 10.711 -13.935 1.00 54.42 H new ATOM 0 HA GLU A 19 21.381 10.785 -14.994 1.00 15.11 H new ATOM 0 HB2 GLU A 19 18.835 12.270 -15.657 1.00 42.45 H new ATOM 0 HB3 GLU A 19 20.300 12.534 -16.581 1.00 42.45 H new ATOM 0 HG2 GLU A 19 19.442 9.685 -16.076 1.00 2.03 H new ATOM 0 HG3 GLU A 19 18.539 10.618 -17.252 1.00 2.03 H new ATOM 321 N ARG A 20 20.614 13.494 -13.340 1.00 65.53 N ATOM 322 CA ARG A 20 21.154 14.718 -12.774 1.00 42.00 C ATOM 323 C ARG A 20 22.129 14.394 -11.640 1.00 70.21 C ATOM 324 O ARG A 20 23.196 14.998 -11.542 1.00 51.02 O ATOM 325 CB ARG A 20 20.038 15.615 -12.237 1.00 14.24 C ATOM 326 CG ARG A 20 19.260 16.268 -13.381 1.00 43.42 C ATOM 327 CD ARG A 20 18.331 15.259 -14.059 1.00 13.54 C ATOM 328 NE ARG A 20 17.151 15.955 -14.619 1.00 40.34 N ATOM 329 CZ ARG A 20 16.425 15.495 -15.660 1.00 34.10 C ATOM 330 NH1 ARG A 20 16.752 14.332 -16.263 1.00 12.21 N ATOM 331 NH2 ARG A 20 15.390 16.199 -16.079 1.00 74.22 N ATOM 0 H ARG A 20 19.675 13.254 -13.021 1.00 65.53 H new ATOM 0 HA ARG A 20 21.679 15.247 -13.569 1.00 42.00 H new ATOM 0 HB2 ARG A 20 19.359 15.026 -11.620 1.00 14.24 H new ATOM 0 HB3 ARG A 20 20.464 16.386 -11.595 1.00 14.24 H new ATOM 0 HG2 ARG A 20 18.676 17.105 -12.997 1.00 43.42 H new ATOM 0 HG3 ARG A 20 19.957 16.675 -14.113 1.00 43.42 H new ATOM 0 HD2 ARG A 20 18.865 14.736 -14.852 1.00 13.54 H new ATOM 0 HD3 ARG A 20 18.011 14.505 -13.339 1.00 13.54 H new ATOM 0 HE ARG A 20 16.869 16.837 -14.192 1.00 40.34 H new ATOM 0 HH11 ARG A 20 17.553 13.794 -15.933 1.00 12.21 H new ATOM 0 HH12 ARG A 20 16.198 13.992 -17.049 1.00 12.21 H new ATOM 0 HH21 ARG A 20 15.149 17.076 -15.617 1.00 74.22 H new ATOM 0 HH22 ARG A 20 14.831 15.866 -16.864 1.00 74.22 H new ATOM 344 N ILE A 21 21.727 13.441 -10.812 1.00 25.11 N ATOM 345 CA ILE A 21 22.552 13.029 -9.689 1.00 2.24 C ATOM 346 C ILE A 21 23.859 12.431 -10.213 1.00 41.03 C ATOM 347 O ILE A 21 24.854 12.375 -9.492 1.00 33.42 O ATOM 348 CB ILE A 21 21.772 12.089 -8.767 1.00 40.41 C ATOM 349 CG1 ILE A 21 20.839 12.876 -7.845 1.00 12.25 C ATOM 350 CG2 ILE A 21 22.719 11.179 -7.983 1.00 44.01 C ATOM 351 CD1 ILE A 21 19.995 11.933 -6.984 1.00 44.12 C ATOM 0 H ILE A 21 20.841 12.942 -10.896 1.00 25.11 H new ATOM 0 HA ILE A 21 22.818 13.891 -9.077 1.00 2.24 H new ATOM 0 HB ILE A 21 21.146 11.445 -9.385 1.00 40.41 H new ATOM 0 HG12 ILE A 21 21.426 13.533 -7.203 1.00 12.25 H new ATOM 0 HG13 ILE A 21 20.185 13.513 -8.441 1.00 12.25 H new ATOM 0 HG21 ILE A 21 22.139 10.521 -7.336 1.00 44.01 H new ATOM 0 HG22 ILE A 21 23.305 10.579 -8.678 1.00 44.01 H new ATOM 0 HG23 ILE A 21 23.389 11.788 -7.375 1.00 44.01 H new ATOM 0 HD11 ILE A 21 19.341 12.518 -6.338 1.00 44.12 H new ATOM 0 HD12 ILE A 21 19.392 11.294 -7.629 1.00 44.12 H new ATOM 0 HD13 ILE A 21 20.651 11.314 -6.372 1.00 44.12 H new ATOM 363 N ALA A 22 23.815 12.000 -11.465 1.00 75.41 N ATOM 364 CA ALA A 22 24.983 11.408 -12.095 1.00 33.32 C ATOM 365 C ALA A 22 25.877 12.519 -12.647 1.00 41.42 C ATOM 366 O ALA A 22 27.100 12.453 -12.530 1.00 12.21 O ATOM 367 CB ALA A 22 24.536 10.426 -13.180 1.00 33.35 C ATOM 0 H ALA A 22 22.988 12.049 -12.060 1.00 75.41 H new ATOM 0 HA ALA A 22 25.568 10.845 -11.367 1.00 33.32 H new ATOM 0 HB1 ALA A 22 25.412 9.982 -13.652 1.00 33.35 H new ATOM 0 HB2 ALA A 22 23.928 9.640 -12.731 1.00 33.35 H new ATOM 0 HB3 ALA A 22 23.948 10.955 -13.930 1.00 33.35 H new ATOM 373 N ASP A 23 25.233 13.515 -13.238 1.00 33.02 N ATOM 374 CA ASP A 23 25.955 14.639 -13.809 1.00 15.43 C ATOM 375 C ASP A 23 26.519 15.504 -12.680 1.00 31.04 C ATOM 376 O ASP A 23 27.542 16.165 -12.851 1.00 22.51 O ATOM 377 CB ASP A 23 25.029 15.514 -14.657 1.00 4.42 C ATOM 378 CG ASP A 23 25.716 16.259 -15.804 1.00 34.02 C ATOM 379 OD1 ASP A 23 25.603 17.488 -15.925 1.00 70.24 O ATOM 380 OD2 ASP A 23 26.399 15.514 -16.605 1.00 41.44 O ATOM 0 H ASP A 23 24.219 13.567 -13.334 1.00 33.02 H new ATOM 0 HA ASP A 23 26.753 14.243 -14.437 1.00 15.43 H new ATOM 0 HB2 ASP A 23 24.240 14.887 -15.072 1.00 4.42 H new ATOM 0 HB3 ASP A 23 24.547 16.244 -14.007 1.00 4.42 H new ATOM 386 N ARG A 24 25.827 15.472 -11.550 1.00 72.42 N ATOM 387 CA ARG A 24 26.246 16.244 -10.393 1.00 42.01 C ATOM 388 C ARG A 24 27.260 15.452 -9.565 1.00 60.12 C ATOM 389 O ARG A 24 28.339 15.953 -9.253 1.00 41.33 O ATOM 390 CB ARG A 24 25.050 16.607 -9.511 1.00 3.52 C ATOM 391 CG ARG A 24 24.761 18.109 -9.571 1.00 33.32 C ATOM 392 CD ARG A 24 25.951 18.918 -9.051 1.00 71.24 C ATOM 393 NE ARG A 24 25.488 20.228 -8.542 1.00 44.23 N ATOM 394 CZ ARG A 24 26.289 21.130 -7.937 1.00 5.44 C ATOM 395 NH1 ARG A 24 27.602 20.871 -7.759 1.00 63.20 N ATOM 396 NH2 ARG A 24 25.770 22.270 -7.520 1.00 53.25 N ATOM 0 H ARG A 24 24.979 14.923 -11.412 1.00 72.42 H new ATOM 0 HA ARG A 24 26.707 17.162 -10.756 1.00 42.01 H new ATOM 0 HB2 ARG A 24 24.171 16.051 -9.837 1.00 3.52 H new ATOM 0 HB3 ARG A 24 25.250 16.312 -8.481 1.00 3.52 H new ATOM 0 HG2 ARG A 24 24.540 18.400 -10.598 1.00 33.32 H new ATOM 0 HG3 ARG A 24 23.875 18.336 -8.978 1.00 33.32 H new ATOM 0 HD2 ARG A 24 26.456 18.368 -8.257 1.00 71.24 H new ATOM 0 HD3 ARG A 24 26.678 19.065 -9.850 1.00 71.24 H new ATOM 0 HE ARG A 24 24.502 20.464 -8.655 1.00 44.23 H new ATOM 0 HH11 ARG A 24 27.996 19.988 -8.083 1.00 63.20 H new ATOM 0 HH12 ARG A 24 28.200 21.559 -7.301 1.00 63.20 H new ATOM 0 HH21 ARG A 24 24.777 22.459 -7.657 1.00 53.25 H new ATOM 0 HH22 ARG A 24 26.362 22.962 -7.061 1.00 53.25 H new ATOM 409 N PHE A 25 26.877 14.228 -9.233 1.00 23.21 N ATOM 410 CA PHE A 25 27.740 13.361 -8.447 1.00 54.52 C ATOM 411 C PHE A 25 27.729 11.933 -8.996 1.00 41.42 C ATOM 412 O PHE A 25 27.062 11.058 -8.447 1.00 52.20 O ATOM 413 CB PHE A 25 27.184 13.351 -7.022 1.00 1.23 C ATOM 414 CG PHE A 25 26.564 14.681 -6.586 1.00 25.42 C ATOM 415 CD1 PHE A 25 27.363 15.695 -6.157 1.00 73.22 C ATOM 416 CD2 PHE A 25 25.215 14.848 -6.627 1.00 64.00 C ATOM 417 CE1 PHE A 25 26.788 16.929 -5.753 1.00 33.53 C ATOM 418 CE2 PHE A 25 24.640 16.082 -6.223 1.00 24.35 C ATOM 419 CZ PHE A 25 25.439 17.096 -5.794 1.00 34.11 C ATOM 0 H PHE A 25 25.981 13.816 -9.494 1.00 23.21 H new ATOM 0 HA PHE A 25 28.766 13.727 -8.481 1.00 54.52 H new ATOM 0 HB2 PHE A 25 26.431 12.567 -6.942 1.00 1.23 H new ATOM 0 HB3 PHE A 25 27.987 13.093 -6.332 1.00 1.23 H new ATOM 0 HD1 PHE A 25 28.434 15.562 -6.124 1.00 73.22 H new ATOM 0 HD2 PHE A 25 24.581 14.042 -6.967 1.00 64.00 H new ATOM 0 HE1 PHE A 25 27.422 17.735 -5.413 1.00 33.53 H new ATOM 0 HE2 PHE A 25 23.569 16.215 -6.256 1.00 24.35 H new ATOM 0 HZ PHE A 25 25.002 18.034 -5.486 1.00 34.11 H new ATOM 429 N PRO A 26 28.496 11.737 -10.102 1.00 3.01 N ATOM 430 CA PRO A 26 28.581 10.430 -10.731 1.00 44.23 C ATOM 431 C PRO A 26 29.459 9.483 -9.911 1.00 65.23 C ATOM 432 O PRO A 26 29.654 8.328 -10.288 1.00 53.24 O ATOM 433 CB PRO A 26 29.134 10.698 -12.122 1.00 0.44 C ATOM 434 CG PRO A 26 29.772 12.077 -12.058 1.00 21.42 C ATOM 435 CD PRO A 26 29.300 12.750 -10.780 1.00 10.14 C ATOM 0 HA PRO A 26 27.615 9.928 -10.791 1.00 44.23 H new ATOM 0 HB2 PRO A 26 29.866 9.941 -12.404 1.00 0.44 H new ATOM 0 HB3 PRO A 26 28.342 10.669 -12.870 1.00 0.44 H new ATOM 0 HG2 PRO A 26 30.859 11.996 -12.068 1.00 21.42 H new ATOM 0 HG3 PRO A 26 29.489 12.669 -12.928 1.00 21.42 H new ATOM 0 HD2 PRO A 26 30.142 13.064 -10.164 1.00 10.14 H new ATOM 0 HD3 PRO A 26 28.712 13.642 -10.996 1.00 10.14 H new ATOM 443 N ASN A 27 29.967 10.006 -8.805 1.00 14.21 N ATOM 444 CA ASN A 27 30.819 9.221 -7.928 1.00 43.43 C ATOM 445 C ASN A 27 30.027 8.813 -6.685 1.00 11.22 C ATOM 446 O ASN A 27 30.606 8.381 -5.689 1.00 61.15 O ATOM 447 CB ASN A 27 32.033 10.032 -7.470 1.00 42.23 C ATOM 448 CG ASN A 27 33.193 9.887 -8.457 1.00 25.00 C ATOM 449 OD1 ASN A 27 34.239 9.338 -8.149 1.00 52.25 O ATOM 450 ND2 ASN A 27 32.952 10.408 -9.656 1.00 51.15 N ATOM 0 H ASN A 27 29.805 10.964 -8.496 1.00 14.21 H new ATOM 0 HA ASN A 27 31.158 8.346 -8.482 1.00 43.43 H new ATOM 0 HB2 ASN A 27 31.759 11.083 -7.377 1.00 42.23 H new ATOM 0 HB3 ASN A 27 32.347 9.696 -6.482 1.00 42.23 H new ATOM 0 HD21 ASN A 27 33.664 10.362 -10.385 1.00 51.15 H new ATOM 0 HD22 ASN A 27 32.055 10.854 -9.847 1.00 51.15 H new ATOM 457 N ARG A 28 28.714 8.965 -6.782 1.00 63.24 N ATOM 458 CA ARG A 28 27.837 8.617 -5.678 1.00 15.31 C ATOM 459 C ARG A 28 27.071 7.331 -5.993 1.00 21.53 C ATOM 460 O ARG A 28 27.273 6.726 -7.045 1.00 34.23 O ATOM 461 CB ARG A 28 26.837 9.741 -5.394 1.00 62.42 C ATOM 462 CG ARG A 28 27.504 10.888 -4.633 1.00 12.04 C ATOM 463 CD ARG A 28 28.911 11.158 -5.170 1.00 13.43 C ATOM 464 NE ARG A 28 29.422 12.437 -4.628 1.00 2.10 N ATOM 465 CZ ARG A 28 30.733 12.735 -4.502 1.00 13.35 C ATOM 466 NH1 ARG A 28 31.677 11.847 -4.878 1.00 30.23 N ATOM 467 NH2 ARG A 28 31.077 13.909 -4.004 1.00 61.34 N ATOM 0 H ARG A 28 28.237 9.325 -7.609 1.00 63.24 H new ATOM 0 HA ARG A 28 28.459 8.467 -4.795 1.00 15.31 H new ATOM 0 HB2 ARG A 28 26.426 10.113 -6.333 1.00 62.42 H new ATOM 0 HB3 ARG A 28 26.002 9.351 -4.812 1.00 62.42 H new ATOM 0 HG2 ARG A 28 26.898 11.789 -4.722 1.00 12.04 H new ATOM 0 HG3 ARG A 28 27.557 10.643 -3.572 1.00 12.04 H new ATOM 0 HD2 ARG A 28 29.578 10.343 -4.891 1.00 13.43 H new ATOM 0 HD3 ARG A 28 28.892 11.196 -6.259 1.00 13.43 H new ATOM 0 HE ARG A 28 28.742 13.137 -4.331 1.00 2.10 H new ATOM 0 HH11 ARG A 28 31.403 10.942 -5.261 1.00 30.23 H new ATOM 0 HH12 ARG A 28 32.665 12.080 -4.779 1.00 30.23 H new ATOM 0 HH21 ARG A 28 30.357 14.574 -3.722 1.00 61.34 H new ATOM 0 HH22 ARG A 28 32.063 14.151 -3.902 1.00 61.34 H new ATOM 480 N ILE A 29 26.209 6.950 -5.062 1.00 31.25 N ATOM 481 CA ILE A 29 25.412 5.746 -5.227 1.00 23.24 C ATOM 482 C ILE A 29 24.045 5.950 -4.570 1.00 64.13 C ATOM 483 O ILE A 29 23.872 5.664 -3.387 1.00 21.13 O ATOM 484 CB ILE A 29 26.171 4.525 -4.701 1.00 12.31 C ATOM 485 CG1 ILE A 29 27.601 4.493 -5.244 1.00 31.11 C ATOM 486 CG2 ILE A 29 25.411 3.233 -5.009 1.00 2.41 C ATOM 487 CD1 ILE A 29 28.306 3.193 -4.853 1.00 24.31 C ATOM 0 H ILE A 29 26.045 7.454 -4.190 1.00 31.25 H new ATOM 0 HA ILE A 29 25.232 5.550 -6.284 1.00 23.24 H new ATOM 0 HB ILE A 29 26.241 4.607 -3.616 1.00 12.31 H new ATOM 0 HG12 ILE A 29 27.584 4.590 -6.330 1.00 31.11 H new ATOM 0 HG13 ILE A 29 28.160 5.345 -4.857 1.00 31.11 H new ATOM 0 HG21 ILE A 29 25.972 2.381 -4.625 1.00 2.41 H new ATOM 0 HG22 ILE A 29 24.430 3.266 -4.535 1.00 2.41 H new ATOM 0 HG23 ILE A 29 25.289 3.131 -6.087 1.00 2.41 H new ATOM 0 HD11 ILE A 29 29.321 3.195 -5.251 1.00 24.31 H new ATOM 0 HD12 ILE A 29 28.343 3.111 -3.767 1.00 24.31 H new ATOM 0 HD13 ILE A 29 27.758 2.344 -5.262 1.00 24.31 H new ATOM 499 N PRO A 30 23.085 6.456 -5.389 1.00 13.20 N ATOM 500 CA PRO A 30 21.739 6.702 -4.901 1.00 15.05 C ATOM 501 C PRO A 30 20.964 5.392 -4.745 1.00 30.24 C ATOM 502 O PRO A 30 20.343 4.917 -5.694 1.00 70.23 O ATOM 503 CB PRO A 30 21.116 7.643 -5.919 1.00 71.54 C ATOM 504 CG PRO A 30 21.966 7.520 -7.174 1.00 33.13 C ATOM 505 CD PRO A 30 23.254 6.807 -6.796 1.00 72.21 C ATOM 0 HA PRO A 30 21.728 7.149 -3.907 1.00 15.05 H new ATOM 0 HB2 PRO A 30 20.080 7.370 -6.120 1.00 71.54 H new ATOM 0 HB3 PRO A 30 21.110 8.669 -5.550 1.00 71.54 H new ATOM 0 HG2 PRO A 30 21.432 6.962 -7.943 1.00 33.13 H new ATOM 0 HG3 PRO A 30 22.182 8.505 -7.587 1.00 33.13 H new ATOM 0 HD2 PRO A 30 23.410 5.920 -7.409 1.00 72.21 H new ATOM 0 HD3 PRO A 30 24.121 7.452 -6.942 1.00 72.21 H new ATOM 513 N VAL A 31 21.026 4.845 -3.540 1.00 31.35 N ATOM 514 CA VAL A 31 20.338 3.599 -3.247 1.00 31.20 C ATOM 515 C VAL A 31 18.892 3.901 -2.849 1.00 30.04 C ATOM 516 O VAL A 31 18.643 4.765 -2.009 1.00 63.11 O ATOM 517 CB VAL A 31 21.102 2.818 -2.176 1.00 64.10 C ATOM 518 CG1 VAL A 31 20.189 1.809 -1.476 1.00 41.43 C ATOM 519 CG2 VAL A 31 22.329 2.125 -2.773 1.00 73.04 C ATOM 0 H VAL A 31 21.542 5.242 -2.755 1.00 31.35 H new ATOM 0 HA VAL A 31 20.306 2.964 -4.132 1.00 31.20 H new ATOM 0 HB VAL A 31 21.450 3.530 -1.428 1.00 64.10 H new ATOM 0 HG11 VAL A 31 20.757 1.268 -0.720 1.00 41.43 H new ATOM 0 HG12 VAL A 31 19.362 2.336 -1.000 1.00 41.43 H new ATOM 0 HG13 VAL A 31 19.797 1.104 -2.209 1.00 41.43 H new ATOM 0 HG21 VAL A 31 22.854 1.577 -1.991 1.00 73.04 H new ATOM 0 HG22 VAL A 31 22.012 1.431 -3.552 1.00 73.04 H new ATOM 0 HG23 VAL A 31 22.996 2.872 -3.203 1.00 73.04 H new ATOM 529 N ILE A 32 17.976 3.172 -3.470 1.00 1.53 N ATOM 530 CA ILE A 32 16.561 3.352 -3.190 1.00 64.25 C ATOM 531 C ILE A 32 16.055 2.167 -2.365 1.00 52.22 C ATOM 532 O ILE A 32 15.665 1.141 -2.920 1.00 61.00 O ATOM 533 CB ILE A 32 15.783 3.575 -4.489 1.00 21.53 C ATOM 534 CG1 ILE A 32 15.905 5.025 -4.959 1.00 45.23 C ATOM 535 CG2 ILE A 32 14.323 3.143 -4.334 1.00 3.55 C ATOM 536 CD1 ILE A 32 14.905 5.925 -4.230 1.00 23.50 C ATOM 0 H ILE A 32 18.186 2.456 -4.166 1.00 1.53 H new ATOM 0 HA ILE A 32 16.401 4.249 -2.592 1.00 64.25 H new ATOM 0 HB ILE A 32 16.224 2.948 -5.264 1.00 21.53 H new ATOM 0 HG12 ILE A 32 16.919 5.384 -4.782 1.00 45.23 H new ATOM 0 HG13 ILE A 32 15.731 5.078 -6.034 1.00 45.23 H new ATOM 0 HG21 ILE A 32 13.792 3.312 -5.271 1.00 3.55 H new ATOM 0 HG22 ILE A 32 14.282 2.084 -4.079 1.00 3.55 H new ATOM 0 HG23 ILE A 32 13.854 3.725 -3.541 1.00 3.55 H new ATOM 0 HD11 ILE A 32 15.013 6.950 -4.583 1.00 23.50 H new ATOM 0 HD12 ILE A 32 13.891 5.578 -4.429 1.00 23.50 H new ATOM 0 HD13 ILE A 32 15.097 5.889 -3.158 1.00 23.50 H new ATOM 548 N CYS A 33 16.077 2.349 -1.053 1.00 32.10 N ATOM 549 CA CYS A 33 15.624 1.308 -0.146 1.00 25.13 C ATOM 550 C CYS A 33 14.097 1.359 -0.079 1.00 51.02 C ATOM 551 O CYS A 33 13.494 2.391 -0.369 1.00 14.12 O ATOM 552 CB CYS A 33 16.261 1.448 1.239 1.00 40.35 C ATOM 553 SG CYS A 33 16.148 -0.138 2.143 1.00 32.52 S ATOM 0 H CYS A 33 16.401 3.201 -0.596 1.00 32.10 H new ATOM 0 HA CYS A 33 15.937 0.334 -0.522 1.00 25.13 H new ATOM 0 HB2 CYS A 33 17.305 1.746 1.140 1.00 40.35 H new ATOM 0 HB3 CYS A 33 15.757 2.234 1.802 1.00 40.35 H new ATOM 0 HG CYS A 33 15.584 0.060 3.297 1.00 32.52 H new ATOM 559 N GLU A 34 13.515 0.232 0.304 1.00 50.10 N ATOM 560 CA GLU A 34 12.069 0.135 0.412 1.00 2.51 C ATOM 561 C GLU A 34 11.681 -0.596 1.699 1.00 71.25 C ATOM 562 O GLU A 34 12.056 -1.751 1.898 1.00 41.53 O ATOM 563 CB GLU A 34 11.473 -0.558 -0.814 1.00 53.23 C ATOM 564 CG GLU A 34 12.057 0.016 -2.107 1.00 22.42 C ATOM 565 CD GLU A 34 11.645 -0.827 -3.316 1.00 4.31 C ATOM 566 OE1 GLU A 34 12.510 -1.272 -4.085 1.00 42.30 O ATOM 567 OE2 GLU A 34 10.375 -1.015 -3.442 1.00 64.00 O ATOM 0 H GLU A 34 14.019 -0.622 0.543 1.00 50.10 H new ATOM 0 HA GLU A 34 11.658 1.144 0.453 1.00 2.51 H new ATOM 0 HB2 GLU A 34 11.673 -1.628 -0.764 1.00 53.23 H new ATOM 0 HB3 GLU A 34 10.390 -0.436 -0.814 1.00 53.23 H new ATOM 0 HG2 GLU A 34 11.715 1.042 -2.241 1.00 22.42 H new ATOM 0 HG3 GLU A 34 13.144 0.049 -2.036 1.00 22.42 H new ATOM 575 N LYS A 35 10.934 0.106 2.538 1.00 21.33 N ATOM 576 CA LYS A 35 10.491 -0.463 3.800 1.00 51.20 C ATOM 577 C LYS A 35 10.084 -1.922 3.582 1.00 0.52 C ATOM 578 O LYS A 35 9.493 -2.258 2.558 1.00 72.54 O ATOM 579 CB LYS A 35 9.387 0.398 4.417 1.00 53.11 C ATOM 580 CG LYS A 35 9.422 0.323 5.945 1.00 43.22 C ATOM 581 CD LYS A 35 8.608 -0.868 6.454 1.00 0.45 C ATOM 582 CE LYS A 35 9.191 -1.411 7.760 1.00 33.44 C ATOM 583 NZ LYS A 35 8.342 -2.501 8.293 1.00 53.42 N ATOM 0 H LYS A 35 10.624 1.063 2.369 1.00 21.33 H new ATOM 0 HA LYS A 35 11.305 -0.464 4.525 1.00 51.20 H new ATOM 0 HB2 LYS A 35 9.507 1.433 4.097 1.00 53.11 H new ATOM 0 HB3 LYS A 35 8.415 0.063 4.055 1.00 53.11 H new ATOM 0 HG2 LYS A 35 10.454 0.235 6.285 1.00 43.22 H new ATOM 0 HG3 LYS A 35 9.025 1.246 6.367 1.00 43.22 H new ATOM 0 HD2 LYS A 35 7.573 -0.565 6.612 1.00 0.45 H new ATOM 0 HD3 LYS A 35 8.598 -1.655 5.700 1.00 0.45 H new ATOM 0 HE2 LYS A 35 10.202 -1.780 7.588 1.00 33.44 H new ATOM 0 HE3 LYS A 35 9.265 -0.608 8.494 1.00 33.44 H new ATOM 0 HZ1 LYS A 35 8.899 -3.087 8.947 1.00 53.42 H new ATOM 0 HZ2 LYS A 35 7.530 -2.093 8.799 1.00 53.42 H new ATOM 0 HZ3 LYS A 35 8.000 -3.090 7.507 1.00 53.42 H new ATOM 596 N ALA A 36 10.417 -2.748 4.563 1.00 70.03 N ATOM 597 CA ALA A 36 10.094 -4.163 4.491 1.00 13.22 C ATOM 598 C ALA A 36 8.827 -4.434 5.306 1.00 43.01 C ATOM 599 O ALA A 36 8.847 -4.358 6.533 1.00 34.45 O ATOM 600 CB ALA A 36 11.288 -4.985 4.979 1.00 2.13 C ATOM 0 H ALA A 36 10.907 -2.465 5.412 1.00 70.03 H new ATOM 0 HA ALA A 36 9.894 -4.459 3.461 1.00 13.22 H new ATOM 0 HB1 ALA A 36 11.046 -6.046 4.925 1.00 2.13 H new ATOM 0 HB2 ALA A 36 12.154 -4.778 4.350 1.00 2.13 H new ATOM 0 HB3 ALA A 36 11.517 -4.717 6.011 1.00 2.13 H new ATOM 606 N GLU A 37 7.757 -4.744 4.590 1.00 74.21 N ATOM 607 CA GLU A 37 6.484 -5.027 5.231 1.00 33.10 C ATOM 608 C GLU A 37 6.643 -6.153 6.254 1.00 24.41 C ATOM 609 O GLU A 37 6.178 -6.039 7.387 1.00 52.52 O ATOM 610 CB GLU A 37 5.413 -5.375 4.195 1.00 63.31 C ATOM 611 CG GLU A 37 5.725 -6.708 3.511 1.00 20.01 C ATOM 612 CD GLU A 37 4.764 -6.966 2.349 1.00 42.35 C ATOM 613 OE1 GLU A 37 5.113 -6.707 1.187 1.00 10.10 O ATOM 614 OE2 GLU A 37 3.619 -7.454 2.686 1.00 52.12 O ATOM 0 H GLU A 37 7.745 -4.806 3.572 1.00 74.21 H new ATOM 0 HA GLU A 37 6.157 -4.129 5.756 1.00 33.10 H new ATOM 0 HB2 GLU A 37 4.438 -5.430 4.679 1.00 63.31 H new ATOM 0 HB3 GLU A 37 5.354 -4.584 3.448 1.00 63.31 H new ATOM 0 HG2 GLU A 37 6.751 -6.701 3.144 1.00 20.01 H new ATOM 0 HG3 GLU A 37 5.651 -7.519 4.236 1.00 20.01 H new ATOM 622 N LYS A 38 7.303 -7.216 5.818 1.00 21.53 N ATOM 623 CA LYS A 38 7.530 -8.363 6.682 1.00 10.41 C ATOM 624 C LYS A 38 7.881 -7.874 8.089 1.00 41.02 C ATOM 625 O LYS A 38 7.207 -8.222 9.057 1.00 23.31 O ATOM 626 CB LYS A 38 8.582 -9.292 6.074 1.00 72.34 C ATOM 627 CG LYS A 38 8.057 -9.952 4.797 1.00 63.23 C ATOM 628 CD LYS A 38 7.317 -11.253 5.116 1.00 41.32 C ATOM 629 CE LYS A 38 8.122 -12.469 4.655 1.00 64.21 C ATOM 630 NZ LYS A 38 7.236 -13.641 4.479 1.00 30.33 N ATOM 0 H LYS A 38 7.688 -7.307 4.878 1.00 21.53 H new ATOM 0 HA LYS A 38 6.622 -8.961 6.768 1.00 10.41 H new ATOM 0 HB2 LYS A 38 9.486 -8.726 5.850 1.00 72.34 H new ATOM 0 HB3 LYS A 38 8.857 -10.059 6.798 1.00 72.34 H new ATOM 0 HG2 LYS A 38 7.387 -9.266 4.278 1.00 63.23 H new ATOM 0 HG3 LYS A 38 8.888 -10.158 4.122 1.00 63.23 H new ATOM 0 HD2 LYS A 38 7.135 -11.318 6.189 1.00 41.32 H new ATOM 0 HD3 LYS A 38 6.343 -11.251 4.627 1.00 41.32 H new ATOM 0 HE2 LYS A 38 8.627 -12.243 3.716 1.00 64.21 H new ATOM 0 HE3 LYS A 38 8.897 -12.698 5.387 1.00 64.21 H new ATOM 0 HZ1 LYS A 38 7.799 -14.458 4.166 1.00 30.33 H new ATOM 0 HZ2 LYS A 38 6.773 -13.865 5.383 1.00 30.33 H new ATOM 0 HZ3 LYS A 38 6.512 -13.425 3.764 1.00 30.33 H new ATOM 643 N SER A 39 8.936 -7.075 8.157 1.00 55.41 N ATOM 644 CA SER A 39 9.384 -6.535 9.429 1.00 43.50 C ATOM 645 C SER A 39 8.209 -5.893 10.169 1.00 51.10 C ATOM 646 O SER A 39 7.098 -5.834 9.644 1.00 30.03 O ATOM 647 CB SER A 39 10.506 -5.514 9.229 1.00 44.11 C ATOM 648 OG SER A 39 10.004 -4.187 9.093 1.00 34.43 O ATOM 0 H SER A 39 9.493 -6.789 7.352 1.00 55.41 H new ATOM 0 HA SER A 39 9.778 -7.356 10.029 1.00 43.50 H new ATOM 0 HB2 SER A 39 11.191 -5.557 10.076 1.00 44.11 H new ATOM 0 HB3 SER A 39 11.081 -5.777 8.341 1.00 44.11 H new ATOM 0 HG SER A 39 10.752 -3.566 8.969 1.00 34.43 H new ATOM 654 N ASP A 40 8.494 -5.428 11.376 1.00 21.04 N ATOM 655 CA ASP A 40 7.475 -4.793 12.194 1.00 55.21 C ATOM 656 C ASP A 40 7.989 -3.437 12.681 1.00 24.15 C ATOM 657 O ASP A 40 7.424 -2.849 13.602 1.00 51.21 O ATOM 658 CB ASP A 40 7.145 -5.643 13.422 1.00 20.05 C ATOM 659 CG ASP A 40 5.798 -5.335 14.080 1.00 4.41 C ATOM 660 OD1 ASP A 40 5.734 -4.651 15.112 1.00 15.43 O ATOM 661 OD2 ASP A 40 4.772 -5.835 13.481 1.00 73.52 O ATOM 0 H ASP A 40 9.417 -5.478 11.808 1.00 21.04 H new ATOM 0 HA ASP A 40 6.579 -4.677 11.585 1.00 55.21 H new ATOM 0 HB2 ASP A 40 7.159 -6.694 13.132 1.00 20.05 H new ATOM 0 HB3 ASP A 40 7.933 -5.506 14.162 1.00 20.05 H new ATOM 667 N ILE A 41 9.056 -2.981 12.042 1.00 4.44 N ATOM 668 CA ILE A 41 9.654 -1.705 12.399 1.00 31.15 C ATOM 669 C ILE A 41 8.767 -0.570 11.885 1.00 41.43 C ATOM 670 O ILE A 41 7.927 -0.780 11.011 1.00 64.21 O ATOM 671 CB ILE A 41 11.098 -1.632 11.901 1.00 44.34 C ATOM 672 CG1 ILE A 41 11.162 -1.048 10.488 1.00 74.03 C ATOM 673 CG2 ILE A 41 11.778 -3.000 11.987 1.00 43.34 C ATOM 674 CD1 ILE A 41 12.546 -1.256 9.870 1.00 72.01 C ATOM 0 H ILE A 41 9.522 -3.472 11.279 1.00 4.44 H new ATOM 0 HA ILE A 41 9.710 -1.600 13.482 1.00 31.15 H new ATOM 0 HB ILE A 41 11.650 -0.956 12.554 1.00 44.34 H new ATOM 0 HG12 ILE A 41 10.405 -1.520 9.861 1.00 74.03 H new ATOM 0 HG13 ILE A 41 10.931 0.017 10.520 1.00 74.03 H new ATOM 0 HG21 ILE A 41 12.804 -2.920 11.627 1.00 43.34 H new ATOM 0 HG22 ILE A 41 11.783 -3.340 13.023 1.00 43.34 H new ATOM 0 HG23 ILE A 41 11.233 -3.717 11.373 1.00 43.34 H new ATOM 0 HD11 ILE A 41 12.564 -0.832 8.866 1.00 72.01 H new ATOM 0 HD12 ILE A 41 13.297 -0.762 10.486 1.00 72.01 H new ATOM 0 HD13 ILE A 41 12.764 -2.323 9.817 1.00 72.01 H new ATOM 686 N PRO A 42 8.990 0.641 12.463 1.00 34.13 N ATOM 687 CA PRO A 42 8.221 1.810 12.072 1.00 14.03 C ATOM 688 C PRO A 42 8.679 2.338 10.711 1.00 33.31 C ATOM 689 O PRO A 42 9.873 2.528 10.485 1.00 14.31 O ATOM 690 CB PRO A 42 8.427 2.811 13.197 1.00 32.14 C ATOM 691 CG PRO A 42 9.667 2.348 13.945 1.00 41.33 C ATOM 692 CD PRO A 42 9.976 0.928 13.501 1.00 34.42 C ATOM 0 HA PRO A 42 7.161 1.591 11.940 1.00 14.03 H new ATOM 0 HB2 PRO A 42 8.562 3.819 12.804 1.00 32.14 H new ATOM 0 HB3 PRO A 42 7.560 2.840 13.858 1.00 32.14 H new ATOM 0 HG2 PRO A 42 10.509 3.006 13.732 1.00 41.33 H new ATOM 0 HG3 PRO A 42 9.499 2.383 15.021 1.00 41.33 H new ATOM 0 HD2 PRO A 42 10.992 0.846 13.115 1.00 34.42 H new ATOM 0 HD3 PRO A 42 9.893 0.227 14.331 1.00 34.42 H new ATOM 700 N GLU A 43 7.705 2.559 9.840 1.00 63.21 N ATOM 701 CA GLU A 43 7.994 3.061 8.507 1.00 34.12 C ATOM 702 C GLU A 43 8.824 4.343 8.591 1.00 2.01 C ATOM 703 O GLU A 43 9.011 4.896 9.674 1.00 52.22 O ATOM 704 CB GLU A 43 6.704 3.294 7.718 1.00 33.12 C ATOM 705 CG GLU A 43 6.994 3.436 6.223 1.00 53.04 C ATOM 706 CD GLU A 43 5.800 2.970 5.386 1.00 4.10 C ATOM 707 OE1 GLU A 43 5.385 3.674 4.453 1.00 32.33 O ATOM 708 OE2 GLU A 43 5.302 1.832 5.733 1.00 0.25 O ATOM 0 H GLU A 43 6.716 2.400 10.031 1.00 63.21 H new ATOM 0 HA GLU A 43 8.576 2.309 7.975 1.00 34.12 H new ATOM 0 HB2 GLU A 43 6.018 2.463 7.882 1.00 33.12 H new ATOM 0 HB3 GLU A 43 6.208 4.193 8.083 1.00 33.12 H new ATOM 0 HG2 GLU A 43 7.222 4.476 5.990 1.00 53.04 H new ATOM 0 HG3 GLU A 43 7.876 2.851 5.963 1.00 53.04 H new ATOM 716 N ILE A 44 9.301 4.778 7.434 1.00 54.40 N ATOM 717 CA ILE A 44 10.107 5.985 7.363 1.00 11.10 C ATOM 718 C ILE A 44 9.309 7.085 6.660 1.00 4.51 C ATOM 719 O ILE A 44 8.125 6.914 6.377 1.00 52.11 O ATOM 720 CB ILE A 44 11.457 5.689 6.707 1.00 1.50 C ATOM 721 CG1 ILE A 44 11.292 4.744 5.515 1.00 4.13 C ATOM 722 CG2 ILE A 44 12.458 5.152 7.731 1.00 23.54 C ATOM 723 CD1 ILE A 44 12.631 4.509 4.813 1.00 41.23 C ATOM 0 H ILE A 44 9.145 4.316 6.538 1.00 54.40 H new ATOM 0 HA ILE A 44 10.338 6.349 8.364 1.00 11.10 H new ATOM 0 HB ILE A 44 11.862 6.625 6.322 1.00 1.50 H new ATOM 0 HG12 ILE A 44 10.883 3.792 5.855 1.00 4.13 H new ATOM 0 HG13 ILE A 44 10.576 5.165 4.809 1.00 4.13 H new ATOM 0 HG21 ILE A 44 13.409 4.950 7.239 1.00 23.54 H new ATOM 0 HG22 ILE A 44 12.607 5.892 8.517 1.00 23.54 H new ATOM 0 HG23 ILE A 44 12.073 4.231 8.168 1.00 23.54 H new ATOM 0 HD11 ILE A 44 12.486 3.834 3.970 1.00 41.23 H new ATOM 0 HD12 ILE A 44 13.025 5.460 4.454 1.00 41.23 H new ATOM 0 HD13 ILE A 44 13.337 4.066 5.515 1.00 41.23 H new ATOM 735 N ASP A 45 9.991 8.191 6.399 1.00 41.11 N ATOM 736 CA ASP A 45 9.361 9.319 5.734 1.00 1.45 C ATOM 737 C ASP A 45 9.502 9.157 4.220 1.00 51.24 C ATOM 738 O ASP A 45 8.522 9.276 3.485 1.00 3.33 O ATOM 739 CB ASP A 45 10.029 10.637 6.133 1.00 24.41 C ATOM 740 CG ASP A 45 9.810 11.059 7.587 1.00 24.22 C ATOM 741 OD1 ASP A 45 8.782 10.734 8.199 1.00 55.05 O ATOM 742 OD2 ASP A 45 10.763 11.760 8.101 1.00 44.43 O ATOM 0 H ASP A 45 10.973 8.330 6.636 1.00 41.11 H new ATOM 0 HA ASP A 45 8.312 9.342 6.030 1.00 1.45 H new ATOM 0 HB2 ASP A 45 11.101 10.553 5.952 1.00 24.41 H new ATOM 0 HB3 ASP A 45 9.657 11.427 5.481 1.00 24.41 H new ATOM 748 N LYS A 46 10.728 8.888 3.797 1.00 63.10 N ATOM 749 CA LYS A 46 11.010 8.708 2.383 1.00 40.22 C ATOM 750 C LYS A 46 12.168 7.722 2.219 1.00 22.23 C ATOM 751 O LYS A 46 12.884 7.435 3.178 1.00 41.25 O ATOM 752 CB LYS A 46 11.254 10.060 1.709 1.00 13.00 C ATOM 753 CG LYS A 46 11.174 9.936 0.186 1.00 33.11 C ATOM 754 CD LYS A 46 9.864 9.270 -0.242 1.00 24.13 C ATOM 755 CE LYS A 46 9.346 9.870 -1.550 1.00 61.32 C ATOM 756 NZ LYS A 46 8.055 9.253 -1.927 1.00 73.04 N ATOM 0 H LYS A 46 11.538 8.790 4.409 1.00 63.10 H new ATOM 0 HA LYS A 46 10.148 8.275 1.875 1.00 40.22 H new ATOM 0 HB2 LYS A 46 10.516 10.783 2.058 1.00 13.00 H new ATOM 0 HB3 LYS A 46 12.234 10.442 1.995 1.00 13.00 H new ATOM 0 HG2 LYS A 46 11.249 10.924 -0.267 1.00 33.11 H new ATOM 0 HG3 LYS A 46 12.019 9.353 -0.180 1.00 33.11 H new ATOM 0 HD2 LYS A 46 10.020 8.198 -0.366 1.00 24.13 H new ATOM 0 HD3 LYS A 46 9.116 9.395 0.541 1.00 24.13 H new ATOM 0 HE2 LYS A 46 9.222 10.947 -1.439 1.00 61.32 H new ATOM 0 HE3 LYS A 46 10.077 9.713 -2.344 1.00 61.32 H new ATOM 0 HZ1 LYS A 46 7.717 9.671 -2.817 1.00 73.04 H new ATOM 0 HZ2 LYS A 46 8.183 8.229 -2.053 1.00 73.04 H new ATOM 0 HZ3 LYS A 46 7.356 9.425 -1.176 1.00 73.04 H new ATOM 769 N ARG A 47 12.316 7.230 0.998 1.00 22.32 N ATOM 770 CA ARG A 47 13.375 6.281 0.697 1.00 42.53 C ATOM 771 C ARG A 47 14.405 6.916 -0.240 1.00 60.02 C ATOM 772 O ARG A 47 14.173 7.022 -1.443 1.00 75.14 O ATOM 773 CB ARG A 47 12.813 5.017 0.044 1.00 0.01 C ATOM 774 CG ARG A 47 11.549 5.330 -0.760 1.00 4.43 C ATOM 775 CD ARG A 47 11.158 4.148 -1.648 1.00 54.03 C ATOM 776 NE ARG A 47 10.056 4.540 -2.555 1.00 74.21 N ATOM 777 CZ ARG A 47 8.756 4.588 -2.191 1.00 65.41 C ATOM 778 NH1 ARG A 47 8.385 4.268 -0.933 1.00 63.31 N ATOM 779 NH2 ARG A 47 7.855 4.952 -3.084 1.00 34.54 N ATOM 0 H ARG A 47 11.721 7.470 0.205 1.00 22.32 H new ATOM 0 HA ARG A 47 13.853 6.008 1.638 1.00 42.53 H new ATOM 0 HB2 ARG A 47 13.565 4.577 -0.611 1.00 0.01 H new ATOM 0 HB3 ARG A 47 12.586 4.277 0.812 1.00 0.01 H new ATOM 0 HG2 ARG A 47 10.730 5.565 -0.080 1.00 4.43 H new ATOM 0 HG3 ARG A 47 11.715 6.213 -1.377 1.00 4.43 H new ATOM 0 HD2 ARG A 47 12.019 3.819 -2.230 1.00 54.03 H new ATOM 0 HD3 ARG A 47 10.849 3.305 -1.030 1.00 54.03 H new ATOM 0 HE ARG A 47 10.293 4.790 -3.515 1.00 74.21 H new ATOM 0 HH11 ARG A 47 9.088 3.988 -0.250 1.00 63.31 H new ATOM 0 HH12 ARG A 47 7.401 4.307 -0.666 1.00 63.31 H new ATOM 0 HH21 ARG A 47 8.145 5.192 -4.032 1.00 34.54 H new ATOM 0 HH22 ARG A 47 6.869 4.994 -2.826 1.00 34.54 H new ATOM 792 N LYS A 48 15.521 7.321 0.347 1.00 44.50 N ATOM 793 CA LYS A 48 16.588 7.943 -0.420 1.00 75.33 C ATOM 794 C LYS A 48 17.903 7.823 0.353 1.00 55.24 C ATOM 795 O LYS A 48 17.956 8.123 1.544 1.00 12.23 O ATOM 796 CB LYS A 48 16.217 9.382 -0.785 1.00 30.33 C ATOM 797 CG LYS A 48 16.923 9.821 -2.069 1.00 54.04 C ATOM 798 CD LYS A 48 16.726 11.318 -2.319 1.00 30.25 C ATOM 799 CE LYS A 48 15.265 11.632 -2.646 1.00 32.22 C ATOM 800 NZ LYS A 48 15.117 13.048 -3.050 1.00 61.25 N ATOM 0 H LYS A 48 15.710 7.231 1.345 1.00 44.50 H new ATOM 0 HA LYS A 48 16.728 7.425 -1.369 1.00 75.33 H new ATOM 0 HB2 LYS A 48 15.138 9.462 -0.914 1.00 30.33 H new ATOM 0 HB3 LYS A 48 16.491 10.050 0.031 1.00 30.33 H new ATOM 0 HG2 LYS A 48 17.987 9.598 -1.998 1.00 54.04 H new ATOM 0 HG3 LYS A 48 16.534 9.253 -2.914 1.00 54.04 H new ATOM 0 HD2 LYS A 48 17.034 11.881 -1.438 1.00 30.25 H new ATOM 0 HD3 LYS A 48 17.364 11.640 -3.142 1.00 30.25 H new ATOM 0 HE2 LYS A 48 14.918 10.981 -3.448 1.00 32.22 H new ATOM 0 HE3 LYS A 48 14.640 11.428 -1.777 1.00 32.22 H new ATOM 0 HZ1 LYS A 48 14.119 13.244 -3.268 1.00 61.25 H new ATOM 0 HZ2 LYS A 48 15.429 13.665 -2.273 1.00 61.25 H new ATOM 0 HZ3 LYS A 48 15.698 13.231 -3.893 1.00 61.25 H new ATOM 813 N TYR A 49 18.931 7.384 -0.357 1.00 44.25 N ATOM 814 CA TYR A 49 20.243 7.221 0.247 1.00 53.32 C ATOM 815 C TYR A 49 21.353 7.494 -0.770 1.00 51.01 C ATOM 816 O TYR A 49 21.595 6.683 -1.662 1.00 62.24 O ATOM 817 CB TYR A 49 20.323 5.760 0.692 1.00 22.21 C ATOM 818 CG TYR A 49 19.191 5.331 1.628 1.00 3.30 C ATOM 819 CD1 TYR A 49 17.977 4.935 1.106 1.00 73.22 C ATOM 820 CD2 TYR A 49 19.385 5.341 2.994 1.00 13.14 C ATOM 821 CE1 TYR A 49 16.911 4.531 1.987 1.00 44.53 C ATOM 822 CE2 TYR A 49 18.319 4.938 3.875 1.00 23.33 C ATOM 823 CZ TYR A 49 17.135 4.553 3.328 1.00 63.20 C ATOM 824 OH TYR A 49 16.129 4.172 4.160 1.00 61.11 O ATOM 0 H TYR A 49 18.883 7.136 -1.345 1.00 44.25 H new ATOM 0 HA TYR A 49 20.374 7.918 1.075 1.00 53.32 H new ATOM 0 HB2 TYR A 49 20.312 5.121 -0.191 1.00 22.21 H new ATOM 0 HB3 TYR A 49 21.277 5.595 1.193 1.00 22.21 H new ATOM 0 HD1 TYR A 49 17.826 4.928 0.037 1.00 73.22 H new ATOM 0 HD2 TYR A 49 20.336 5.651 3.402 1.00 13.14 H new ATOM 0 HE1 TYR A 49 15.956 4.218 1.591 1.00 44.53 H new ATOM 0 HE2 TYR A 49 18.457 4.942 4.946 1.00 23.33 H new ATOM 0 HH TYR A 49 15.566 3.508 3.710 1.00 61.11 H new ATOM 834 N LEU A 50 21.998 8.639 -0.601 1.00 53.15 N ATOM 835 CA LEU A 50 23.076 9.029 -1.494 1.00 24.14 C ATOM 836 C LEU A 50 24.418 8.804 -0.793 1.00 40.22 C ATOM 837 O LEU A 50 24.898 9.675 -0.070 1.00 2.43 O ATOM 838 CB LEU A 50 22.872 10.463 -1.986 1.00 65.03 C ATOM 839 CG LEU A 50 22.111 10.617 -3.304 1.00 51.43 C ATOM 840 CD1 LEU A 50 21.813 12.089 -3.596 1.00 12.41 C ATOM 841 CD2 LEU A 50 22.864 9.946 -4.455 1.00 10.34 C ATOM 0 H LEU A 50 21.795 9.309 0.141 1.00 53.15 H new ATOM 0 HA LEU A 50 23.074 8.407 -2.389 1.00 24.14 H new ATOM 0 HB2 LEU A 50 22.339 11.019 -1.214 1.00 65.03 H new ATOM 0 HB3 LEU A 50 23.850 10.931 -2.097 1.00 65.03 H new ATOM 0 HG LEU A 50 21.153 10.107 -3.206 1.00 51.43 H new ATOM 0 HD11 LEU A 50 21.271 12.171 -4.538 1.00 12.41 H new ATOM 0 HD12 LEU A 50 21.206 12.504 -2.791 1.00 12.41 H new ATOM 0 HD13 LEU A 50 22.749 12.643 -3.666 1.00 12.41 H new ATOM 0 HD21 LEU A 50 22.301 10.071 -5.380 1.00 10.34 H new ATOM 0 HD22 LEU A 50 23.847 10.405 -4.564 1.00 10.34 H new ATOM 0 HD23 LEU A 50 22.982 8.883 -4.242 1.00 10.34 H new ATOM 853 N VAL A 51 24.985 7.631 -1.033 1.00 2.13 N ATOM 854 CA VAL A 51 26.262 7.281 -0.434 1.00 31.21 C ATOM 855 C VAL A 51 27.330 7.206 -1.527 1.00 74.33 C ATOM 856 O VAL A 51 27.012 6.991 -2.696 1.00 23.40 O ATOM 857 CB VAL A 51 26.128 5.980 0.361 1.00 11.41 C ATOM 858 CG1 VAL A 51 25.901 6.267 1.847 1.00 50.13 C ATOM 859 CG2 VAL A 51 25.009 5.104 -0.206 1.00 10.24 C ATOM 0 H VAL A 51 24.584 6.911 -1.634 1.00 2.13 H new ATOM 0 HA VAL A 51 26.575 8.049 0.274 1.00 31.21 H new ATOM 0 HB VAL A 51 27.064 5.430 0.265 1.00 11.41 H new ATOM 0 HG11 VAL A 51 25.809 5.326 2.389 1.00 50.13 H new ATOM 0 HG12 VAL A 51 26.745 6.832 2.242 1.00 50.13 H new ATOM 0 HG13 VAL A 51 24.987 6.847 1.970 1.00 50.13 H new ATOM 0 HG21 VAL A 51 24.935 4.186 0.377 1.00 10.24 H new ATOM 0 HG22 VAL A 51 24.063 5.644 -0.155 1.00 10.24 H new ATOM 0 HG23 VAL A 51 25.231 4.858 -1.244 1.00 10.24 H new ATOM 869 N PRO A 52 28.606 7.392 -1.098 1.00 4.05 N ATOM 870 CA PRO A 52 29.723 7.348 -2.027 1.00 33.45 C ATOM 871 C PRO A 52 30.035 5.908 -2.440 1.00 21.12 C ATOM 872 O PRO A 52 29.461 4.964 -1.899 1.00 12.44 O ATOM 873 CB PRO A 52 30.873 8.018 -1.292 1.00 75.42 C ATOM 874 CG PRO A 52 30.496 7.995 0.180 1.00 24.34 C ATOM 875 CD PRO A 52 29.020 7.649 0.279 1.00 54.11 C ATOM 0 HA PRO A 52 29.512 7.864 -2.964 1.00 33.45 H new ATOM 0 HB2 PRO A 52 31.809 7.486 -1.464 1.00 75.42 H new ATOM 0 HB3 PRO A 52 31.018 9.040 -1.642 1.00 75.42 H new ATOM 0 HG2 PRO A 52 31.097 7.260 0.716 1.00 24.34 H new ATOM 0 HG3 PRO A 52 30.692 8.964 0.639 1.00 24.34 H new ATOM 0 HD2 PRO A 52 28.860 6.775 0.910 1.00 54.11 H new ATOM 0 HD3 PRO A 52 28.450 8.468 0.718 1.00 54.11 H new ATOM 883 N ALA A 53 30.945 5.785 -3.395 1.00 72.52 N ATOM 884 CA ALA A 53 31.341 4.476 -3.887 1.00 73.11 C ATOM 885 C ALA A 53 32.524 3.963 -3.064 1.00 41.01 C ATOM 886 O ALA A 53 33.248 3.070 -3.501 1.00 71.41 O ATOM 887 CB ALA A 53 31.665 4.568 -5.380 1.00 33.04 C ATOM 0 H ALA A 53 31.419 6.570 -3.841 1.00 72.52 H new ATOM 0 HA ALA A 53 30.526 3.761 -3.774 1.00 73.11 H new ATOM 0 HB1 ALA A 53 31.962 3.586 -5.749 1.00 33.04 H new ATOM 0 HB2 ALA A 53 30.784 4.908 -5.923 1.00 33.04 H new ATOM 0 HB3 ALA A 53 32.481 5.275 -5.532 1.00 33.04 H new ATOM 893 N ASP A 54 32.684 4.550 -1.887 1.00 42.44 N ATOM 894 CA ASP A 54 33.767 4.164 -0.999 1.00 45.13 C ATOM 895 C ASP A 54 33.183 3.672 0.327 1.00 44.35 C ATOM 896 O ASP A 54 33.921 3.247 1.214 1.00 0.12 O ATOM 897 CB ASP A 54 34.685 5.352 -0.700 1.00 74.53 C ATOM 898 CG ASP A 54 34.099 6.398 0.249 1.00 14.24 C ATOM 899 OD1 ASP A 54 33.616 7.455 -0.184 1.00 3.10 O ATOM 900 OD2 ASP A 54 34.151 6.089 1.501 1.00 44.12 O ATOM 0 H ASP A 54 32.081 5.290 -1.528 1.00 42.44 H new ATOM 0 HA ASP A 54 34.342 3.379 -1.490 1.00 45.13 H new ATOM 0 HB2 ASP A 54 35.614 4.975 -0.272 1.00 74.53 H new ATOM 0 HB3 ASP A 54 34.941 5.840 -1.641 1.00 74.53 H new ATOM 906 N LEU A 55 31.864 3.747 0.419 1.00 72.31 N ATOM 907 CA LEU A 55 31.172 3.314 1.621 1.00 2.45 C ATOM 908 C LEU A 55 30.760 1.849 1.469 1.00 61.13 C ATOM 909 O LEU A 55 30.624 1.352 0.352 1.00 74.02 O ATOM 910 CB LEU A 55 30.004 4.252 1.934 1.00 5.24 C ATOM 911 CG LEU A 55 29.059 3.797 3.048 1.00 54.23 C ATOM 912 CD1 LEU A 55 28.457 4.998 3.780 1.00 33.34 C ATOM 913 CD2 LEU A 55 27.980 2.859 2.502 1.00 41.34 C ATOM 0 H LEU A 55 31.256 4.101 -0.319 1.00 72.31 H new ATOM 0 HA LEU A 55 31.836 3.370 2.483 1.00 2.45 H new ATOM 0 HB2 LEU A 55 30.409 5.227 2.204 1.00 5.24 H new ATOM 0 HB3 LEU A 55 29.421 4.390 1.024 1.00 5.24 H new ATOM 0 HG LEU A 55 29.638 3.232 3.778 1.00 54.23 H new ATOM 0 HD11 LEU A 55 27.789 4.647 4.567 1.00 33.34 H new ATOM 0 HD12 LEU A 55 29.256 5.593 4.221 1.00 33.34 H new ATOM 0 HD13 LEU A 55 27.896 5.610 3.074 1.00 33.34 H new ATOM 0 HD21 LEU A 55 27.322 2.550 3.314 1.00 41.34 H new ATOM 0 HD22 LEU A 55 27.398 3.378 1.740 1.00 41.34 H new ATOM 0 HD23 LEU A 55 28.451 1.980 2.062 1.00 41.34 H new ATOM 925 N THR A 56 30.573 1.198 2.608 1.00 45.15 N ATOM 926 CA THR A 56 30.180 -0.201 2.614 1.00 13.43 C ATOM 927 C THR A 56 28.765 -0.354 3.177 1.00 42.43 C ATOM 928 O THR A 56 28.236 0.568 3.796 1.00 43.31 O ATOM 929 CB THR A 56 31.234 -0.985 3.399 1.00 54.42 C ATOM 930 OG1 THR A 56 30.939 -0.693 4.762 1.00 25.23 O ATOM 931 CG2 THR A 56 32.646 -0.432 3.196 1.00 11.10 C ATOM 0 H THR A 56 30.686 1.613 3.533 1.00 45.15 H new ATOM 0 HA THR A 56 30.140 -0.605 1.603 1.00 13.43 H new ATOM 0 HB THR A 56 31.208 -2.032 3.097 1.00 54.42 H new ATOM 0 HG1 THR A 56 30.580 -1.494 5.198 1.00 25.23 H new ATOM 0 HG21 THR A 56 33.355 -1.024 3.775 1.00 11.10 H new ATOM 0 HG22 THR A 56 32.908 -0.483 2.139 1.00 11.10 H new ATOM 0 HG23 THR A 56 32.682 0.605 3.529 1.00 11.10 H new ATOM 939 N VAL A 57 28.193 -1.525 2.941 1.00 53.10 N ATOM 940 CA VAL A 57 26.850 -1.811 3.416 1.00 14.32 C ATOM 941 C VAL A 57 26.757 -1.469 4.905 1.00 55.03 C ATOM 942 O VAL A 57 25.761 -0.904 5.354 1.00 0.54 O ATOM 943 CB VAL A 57 26.486 -3.265 3.113 1.00 74.51 C ATOM 944 CG1 VAL A 57 25.115 -3.620 3.692 1.00 15.30 C ATOM 945 CG2 VAL A 57 26.533 -3.540 1.609 1.00 62.34 C ATOM 0 H VAL A 57 28.635 -2.287 2.427 1.00 53.10 H new ATOM 0 HA VAL A 57 26.120 -1.192 2.894 1.00 14.32 H new ATOM 0 HB VAL A 57 27.228 -3.902 3.594 1.00 74.51 H new ATOM 0 HG11 VAL A 57 24.881 -4.659 3.462 1.00 15.30 H new ATOM 0 HG12 VAL A 57 25.130 -3.482 4.773 1.00 15.30 H new ATOM 0 HG13 VAL A 57 24.356 -2.972 3.254 1.00 15.30 H new ATOM 0 HG21 VAL A 57 26.270 -4.581 1.421 1.00 62.34 H new ATOM 0 HG22 VAL A 57 25.824 -2.889 1.098 1.00 62.34 H new ATOM 0 HG23 VAL A 57 27.538 -3.347 1.235 1.00 62.34 H new ATOM 955 N GLY A 58 27.807 -1.827 5.628 1.00 4.40 N ATOM 956 CA GLY A 58 27.857 -1.565 7.056 1.00 12.15 C ATOM 957 C GLY A 58 27.272 -0.189 7.382 1.00 31.25 C ATOM 958 O GLY A 58 26.290 -0.086 8.116 1.00 71.20 O ATOM 0 H GLY A 58 28.630 -2.297 5.252 1.00 4.40 H new ATOM 0 HA2 GLY A 58 27.302 -2.336 7.590 1.00 12.15 H new ATOM 0 HA3 GLY A 58 28.889 -1.617 7.403 1.00 12.15 H new ATOM 962 N GLN A 59 27.900 0.834 6.821 1.00 20.54 N ATOM 963 CA GLN A 59 27.454 2.199 7.043 1.00 22.42 C ATOM 964 C GLN A 59 25.961 2.326 6.737 1.00 35.50 C ATOM 965 O GLN A 59 25.191 2.804 7.569 1.00 43.31 O ATOM 966 CB GLN A 59 28.271 3.185 6.206 1.00 1.03 C ATOM 967 CG GLN A 59 29.771 2.943 6.384 1.00 45.34 C ATOM 968 CD GLN A 59 30.552 4.256 6.299 1.00 42.54 C ATOM 969 OE1 GLN A 59 30.087 5.312 6.696 1.00 21.03 O ATOM 970 NE2 GLN A 59 31.762 4.133 5.760 1.00 73.25 N ATOM 0 H GLN A 59 28.714 0.745 6.213 1.00 20.54 H new ATOM 0 HA GLN A 59 27.612 2.446 8.093 1.00 22.42 H new ATOM 0 HB2 GLN A 59 28.005 3.082 5.154 1.00 1.03 H new ATOM 0 HB3 GLN A 59 28.026 4.206 6.499 1.00 1.03 H new ATOM 0 HG2 GLN A 59 29.955 2.468 7.348 1.00 45.34 H new ATOM 0 HG3 GLN A 59 30.125 2.255 5.617 1.00 45.34 H new ATOM 0 HE21 GLN A 59 32.091 3.219 5.448 1.00 73.25 H new ATOM 0 HE22 GLN A 59 32.361 4.952 5.659 1.00 73.25 H new ATOM 979 N PHE A 60 25.595 1.888 5.541 1.00 11.20 N ATOM 980 CA PHE A 60 24.207 1.947 5.115 1.00 60.12 C ATOM 981 C PHE A 60 23.276 1.413 6.205 1.00 54.01 C ATOM 982 O PHE A 60 22.358 2.109 6.638 1.00 62.30 O ATOM 983 CB PHE A 60 24.082 1.060 3.874 1.00 22.25 C ATOM 984 CG PHE A 60 22.787 1.270 3.087 1.00 44.12 C ATOM 985 CD1 PHE A 60 22.622 2.393 2.338 1.00 51.22 C ATOM 986 CD2 PHE A 60 21.802 0.334 3.136 1.00 40.12 C ATOM 987 CE1 PHE A 60 21.420 2.588 1.607 1.00 43.31 C ATOM 988 CE2 PHE A 60 20.600 0.529 2.405 1.00 43.31 C ATOM 989 CZ PHE A 60 20.435 1.652 1.656 1.00 52.32 C ATOM 0 H PHE A 60 26.236 1.491 4.854 1.00 11.20 H new ATOM 0 HA PHE A 60 23.925 2.979 4.907 1.00 60.12 H new ATOM 0 HB2 PHE A 60 24.930 1.251 3.216 1.00 22.25 H new ATOM 0 HB3 PHE A 60 24.145 0.015 4.179 1.00 22.25 H new ATOM 0 HD1 PHE A 60 23.405 3.136 2.299 1.00 51.22 H new ATOM 0 HD2 PHE A 60 21.934 -0.558 3.731 1.00 40.12 H new ATOM 0 HE1 PHE A 60 21.288 3.480 1.012 1.00 43.31 H new ATOM 0 HE2 PHE A 60 19.817 -0.214 2.444 1.00 43.31 H new ATOM 0 HZ PHE A 60 19.521 1.800 1.100 1.00 52.32 H new ATOM 999 N VAL A 61 23.543 0.183 6.617 1.00 24.31 N ATOM 1000 CA VAL A 61 22.741 -0.452 7.648 1.00 33.54 C ATOM 1001 C VAL A 61 22.507 0.539 8.790 1.00 43.21 C ATOM 1002 O VAL A 61 21.469 0.500 9.449 1.00 64.41 O ATOM 1003 CB VAL A 61 23.411 -1.748 8.110 1.00 62.13 C ATOM 1004 CG1 VAL A 61 22.487 -2.545 9.032 1.00 22.24 C ATOM 1005 CG2 VAL A 61 23.853 -2.593 6.913 1.00 2.20 C ATOM 0 H VAL A 61 24.304 -0.391 6.255 1.00 24.31 H new ATOM 0 HA VAL A 61 21.764 -0.730 7.253 1.00 33.54 H new ATOM 0 HB VAL A 61 24.301 -1.480 8.679 1.00 62.13 H new ATOM 0 HG11 VAL A 61 22.988 -3.461 9.346 1.00 22.24 H new ATOM 0 HG12 VAL A 61 22.244 -1.946 9.909 1.00 22.24 H new ATOM 0 HG13 VAL A 61 21.570 -2.797 8.499 1.00 22.24 H new ATOM 0 HG21 VAL A 61 24.326 -3.508 7.269 1.00 2.20 H new ATOM 0 HG22 VAL A 61 22.984 -2.846 6.306 1.00 2.20 H new ATOM 0 HG23 VAL A 61 24.564 -2.027 6.311 1.00 2.20 H new ATOM 1015 N TYR A 62 23.490 1.405 8.989 1.00 51.31 N ATOM 1016 CA TYR A 62 23.405 2.406 10.039 1.00 34.44 C ATOM 1017 C TYR A 62 22.556 3.598 9.594 1.00 72.05 C ATOM 1018 O TYR A 62 21.662 4.033 10.318 1.00 51.54 O ATOM 1019 CB TYR A 62 24.838 2.880 10.288 1.00 71.43 C ATOM 1020 CG TYR A 62 25.098 3.350 11.720 1.00 25.41 C ATOM 1021 CD1 TYR A 62 25.424 2.433 12.699 1.00 61.22 C ATOM 1022 CD2 TYR A 62 25.008 4.691 12.034 1.00 71.33 C ATOM 1023 CE1 TYR A 62 25.669 2.875 14.047 1.00 4.20 C ATOM 1024 CE2 TYR A 62 25.253 5.133 13.382 1.00 41.21 C ATOM 1025 CZ TYR A 62 25.572 4.204 14.322 1.00 33.50 C ATOM 1026 OH TYR A 62 25.803 4.621 15.595 1.00 4.44 O ATOM 0 H TYR A 62 24.350 1.434 8.441 1.00 51.31 H new ATOM 0 HA TYR A 62 22.943 1.986 10.932 1.00 34.44 H new ATOM 0 HB2 TYR A 62 25.525 2.067 10.053 1.00 71.43 H new ATOM 0 HB3 TYR A 62 25.064 3.696 9.602 1.00 71.43 H new ATOM 0 HD1 TYR A 62 25.495 1.384 12.454 1.00 61.22 H new ATOM 0 HD2 TYR A 62 24.754 5.409 11.268 1.00 71.33 H new ATOM 0 HE1 TYR A 62 25.924 2.168 14.822 1.00 4.20 H new ATOM 0 HE2 TYR A 62 25.185 6.179 13.641 1.00 41.21 H new ATOM 0 HH TYR A 62 25.700 5.594 15.644 1.00 4.44 H new ATOM 1036 N VAL A 63 22.866 4.092 8.404 1.00 55.11 N ATOM 1037 CA VAL A 63 22.142 5.226 7.853 1.00 64.41 C ATOM 1038 C VAL A 63 20.638 4.987 8.002 1.00 25.11 C ATOM 1039 O VAL A 63 19.925 5.824 8.552 1.00 51.53 O ATOM 1040 CB VAL A 63 22.569 5.464 6.403 1.00 30.10 C ATOM 1041 CG1 VAL A 63 21.477 6.199 5.624 1.00 53.30 C ATOM 1042 CG2 VAL A 63 23.895 6.225 6.340 1.00 72.23 C ATOM 0 H VAL A 63 23.608 3.728 7.806 1.00 55.11 H new ATOM 0 HA VAL A 63 22.382 6.136 8.402 1.00 64.41 H new ATOM 0 HB VAL A 63 22.718 4.492 5.933 1.00 30.10 H new ATOM 0 HG11 VAL A 63 21.806 6.356 4.597 1.00 53.30 H new ATOM 0 HG12 VAL A 63 20.565 5.603 5.626 1.00 53.30 H new ATOM 0 HG13 VAL A 63 21.281 7.163 6.093 1.00 53.30 H new ATOM 0 HG21 VAL A 63 24.176 6.381 5.298 1.00 72.23 H new ATOM 0 HG22 VAL A 63 23.785 7.190 6.835 1.00 72.23 H new ATOM 0 HG23 VAL A 63 24.671 5.647 6.842 1.00 72.23 H new ATOM 1052 N ILE A 64 20.201 3.840 7.503 1.00 44.12 N ATOM 1053 CA ILE A 64 18.795 3.481 7.574 1.00 63.54 C ATOM 1054 C ILE A 64 18.331 3.540 9.030 1.00 12.31 C ATOM 1055 O ILE A 64 17.273 4.093 9.326 1.00 55.23 O ATOM 1056 CB ILE A 64 18.555 2.125 6.906 1.00 32.25 C ATOM 1057 CG1 ILE A 64 18.482 2.268 5.385 1.00 72.31 C ATOM 1058 CG2 ILE A 64 17.309 1.445 7.479 1.00 50.52 C ATOM 1059 CD1 ILE A 64 19.846 2.644 4.804 1.00 40.35 C ATOM 0 H ILE A 64 20.796 3.147 7.048 1.00 44.12 H new ATOM 0 HA ILE A 64 18.190 4.197 7.017 1.00 63.54 H new ATOM 0 HB ILE A 64 19.405 1.480 7.128 1.00 32.25 H new ATOM 0 HG12 ILE A 64 18.141 1.331 4.944 1.00 72.31 H new ATOM 0 HG13 ILE A 64 17.748 3.030 5.123 1.00 72.31 H new ATOM 0 HG21 ILE A 64 17.161 0.483 6.988 1.00 50.52 H new ATOM 0 HG22 ILE A 64 17.440 1.289 8.550 1.00 50.52 H new ATOM 0 HG23 ILE A 64 16.438 2.078 7.308 1.00 50.52 H new ATOM 0 HD11 ILE A 64 19.766 2.739 3.721 1.00 40.35 H new ATOM 0 HD12 ILE A 64 20.173 3.593 5.229 1.00 40.35 H new ATOM 0 HD13 ILE A 64 20.572 1.868 5.047 1.00 40.35 H new ATOM 1071 N ARG A 65 19.145 2.963 9.902 1.00 40.34 N ATOM 1072 CA ARG A 65 18.831 2.944 11.320 1.00 32.02 C ATOM 1073 C ARG A 65 18.531 4.360 11.817 1.00 71.22 C ATOM 1074 O ARG A 65 17.892 4.536 12.853 1.00 22.41 O ATOM 1075 CB ARG A 65 19.988 2.360 12.133 1.00 44.42 C ATOM 1076 CG ARG A 65 19.481 1.713 13.423 1.00 60.11 C ATOM 1077 CD ARG A 65 20.646 1.304 14.326 1.00 23.30 C ATOM 1078 NE ARG A 65 21.672 0.588 13.535 1.00 4.13 N ATOM 1079 CZ ARG A 65 22.959 0.443 13.919 1.00 54.31 C ATOM 1080 NH1 ARG A 65 23.388 0.965 15.088 1.00 72.51 N ATOM 1081 NH2 ARG A 65 23.790 -0.216 13.134 1.00 44.54 N ATOM 0 H ARG A 65 20.022 2.505 9.653 1.00 40.34 H new ATOM 0 HA ARG A 65 17.952 2.314 11.456 1.00 32.02 H new ATOM 0 HB2 ARG A 65 20.520 1.620 11.535 1.00 44.42 H new ATOM 0 HB3 ARG A 65 20.702 3.148 12.373 1.00 44.42 H new ATOM 0 HG2 ARG A 65 18.833 2.410 13.953 1.00 60.11 H new ATOM 0 HG3 ARG A 65 18.878 0.837 13.182 1.00 60.11 H new ATOM 0 HD2 ARG A 65 21.084 2.187 14.791 1.00 23.30 H new ATOM 0 HD3 ARG A 65 20.285 0.665 15.132 1.00 23.30 H new ATOM 0 HE ARG A 65 21.390 0.179 12.644 1.00 4.13 H new ATOM 0 HH11 ARG A 65 22.739 1.473 15.688 1.00 72.51 H new ATOM 0 HH12 ARG A 65 24.361 0.851 15.371 1.00 72.51 H new ATOM 0 HH21 ARG A 65 23.457 -0.607 12.252 1.00 44.54 H new ATOM 0 HH22 ARG A 65 24.765 -0.335 13.409 1.00 44.54 H new ATOM 1094 N LYS A 66 19.006 5.333 11.054 1.00 42.21 N ATOM 1095 CA LYS A 66 18.797 6.728 11.403 1.00 31.15 C ATOM 1096 C LYS A 66 17.390 7.151 10.976 1.00 31.32 C ATOM 1097 O LYS A 66 16.660 7.765 11.752 1.00 11.15 O ATOM 1098 CB LYS A 66 19.907 7.600 10.814 1.00 51.42 C ATOM 1099 CG LYS A 66 21.287 7.023 11.135 1.00 50.12 C ATOM 1100 CD LYS A 66 21.335 6.479 12.564 1.00 12.00 C ATOM 1101 CE LYS A 66 21.076 7.591 13.583 1.00 62.22 C ATOM 1102 NZ LYS A 66 22.189 8.567 13.578 1.00 34.13 N ATOM 0 H LYS A 66 19.535 5.183 10.195 1.00 42.21 H new ATOM 0 HA LYS A 66 18.857 6.863 12.483 1.00 31.15 H new ATOM 0 HB2 LYS A 66 19.782 7.673 9.734 1.00 51.42 H new ATOM 0 HB3 LYS A 66 19.830 8.611 11.213 1.00 51.42 H new ATOM 0 HG2 LYS A 66 21.525 6.226 10.431 1.00 50.12 H new ATOM 0 HG3 LYS A 66 22.046 7.795 11.010 1.00 50.12 H new ATOM 0 HD2 LYS A 66 20.591 5.692 12.682 1.00 12.00 H new ATOM 0 HD3 LYS A 66 22.309 6.028 12.753 1.00 12.00 H new ATOM 0 HE2 LYS A 66 20.140 8.097 13.348 1.00 62.22 H new ATOM 0 HE3 LYS A 66 20.965 7.162 14.579 1.00 62.22 H new ATOM 0 HZ1 LYS A 66 22.104 9.195 14.403 1.00 34.13 H new ATOM 0 HZ2 LYS A 66 23.096 8.060 13.621 1.00 34.13 H new ATOM 0 HZ3 LYS A 66 22.150 9.133 12.706 1.00 34.13 H new ATOM 1115 N ARG A 67 17.052 6.805 9.743 1.00 74.22 N ATOM 1116 CA ARG A 67 15.745 7.141 9.203 1.00 61.20 C ATOM 1117 C ARG A 67 14.640 6.567 10.092 1.00 71.43 C ATOM 1118 O ARG A 67 13.537 7.109 10.146 1.00 43.02 O ATOM 1119 CB ARG A 67 15.580 6.599 7.782 1.00 64.32 C ATOM 1120 CG ARG A 67 16.046 7.625 6.746 1.00 34.43 C ATOM 1121 CD ARG A 67 14.943 8.644 6.451 1.00 64.12 C ATOM 1122 NE ARG A 67 15.087 9.817 7.342 1.00 70.04 N ATOM 1123 CZ ARG A 67 16.007 10.790 7.170 1.00 62.32 C ATOM 1124 NH1 ARG A 67 16.875 10.737 6.137 1.00 51.31 N ATOM 1125 NH2 ARG A 67 16.046 11.793 8.027 1.00 31.30 N ATOM 0 H ARG A 67 17.660 6.295 9.102 1.00 74.22 H new ATOM 0 HA ARG A 67 15.667 8.228 9.176 1.00 61.20 H new ATOM 0 HB2 ARG A 67 16.153 5.679 7.671 1.00 64.32 H new ATOM 0 HB3 ARG A 67 14.535 6.347 7.604 1.00 64.32 H new ATOM 0 HG2 ARG A 67 16.934 8.140 7.113 1.00 34.43 H new ATOM 0 HG3 ARG A 67 16.331 7.115 5.826 1.00 34.43 H new ATOM 0 HD2 ARG A 67 14.997 8.959 5.409 1.00 64.12 H new ATOM 0 HD3 ARG A 67 13.965 8.185 6.595 1.00 64.12 H new ATOM 0 HE ARG A 67 14.451 9.895 8.136 1.00 70.04 H new ATOM 0 HH11 ARG A 67 16.839 9.958 5.480 1.00 51.31 H new ATOM 0 HH12 ARG A 67 17.567 11.476 6.014 1.00 51.31 H new ATOM 0 HH21 ARG A 67 15.387 11.825 8.805 1.00 31.30 H new ATOM 0 HH22 ARG A 67 16.735 12.536 7.911 1.00 31.30 H new ATOM 1138 N ILE A 68 14.974 5.476 10.767 1.00 52.44 N ATOM 1139 CA ILE A 68 14.023 4.823 11.650 1.00 23.22 C ATOM 1140 C ILE A 68 14.432 5.069 13.104 1.00 41.41 C ATOM 1141 O ILE A 68 13.655 4.815 14.023 1.00 52.13 O ATOM 1142 CB ILE A 68 13.890 3.341 11.292 1.00 52.42 C ATOM 1143 CG1 ILE A 68 15.208 2.788 10.747 1.00 40.13 C ATOM 1144 CG2 ILE A 68 12.728 3.114 10.322 1.00 2.51 C ATOM 1145 CD1 ILE A 68 15.231 1.260 10.814 1.00 30.24 C ATOM 0 H ILE A 68 15.889 5.029 10.720 1.00 52.44 H new ATOM 0 HA ILE A 68 13.028 5.250 11.521 1.00 23.22 H new ATOM 0 HB ILE A 68 13.662 2.788 12.203 1.00 52.42 H new ATOM 0 HG12 ILE A 68 15.344 3.112 9.715 1.00 40.13 H new ATOM 0 HG13 ILE A 68 16.041 3.193 11.321 1.00 40.13 H new ATOM 0 HG21 ILE A 68 12.655 2.053 10.084 1.00 2.51 H new ATOM 0 HG22 ILE A 68 11.798 3.447 10.784 1.00 2.51 H new ATOM 0 HG23 ILE A 68 12.902 3.680 9.407 1.00 2.51 H new ATOM 0 HD11 ILE A 68 16.179 0.893 10.420 1.00 30.24 H new ATOM 0 HD12 ILE A 68 15.120 0.940 11.850 1.00 30.24 H new ATOM 0 HD13 ILE A 68 14.411 0.857 10.219 1.00 30.24 H new ATOM 1157 N MET A 69 15.651 5.562 13.267 1.00 62.22 N ATOM 1158 CA MET A 69 16.173 5.846 14.593 1.00 33.41 C ATOM 1159 C MET A 69 15.781 4.747 15.583 1.00 35.11 C ATOM 1160 O MET A 69 15.244 5.033 16.652 1.00 33.53 O ATOM 1161 CB MET A 69 15.627 7.190 15.079 1.00 21.34 C ATOM 1162 CG MET A 69 14.098 7.178 15.120 1.00 54.44 C ATOM 1163 SD MET A 69 13.497 8.651 15.930 1.00 43.22 S ATOM 1164 CE MET A 69 14.368 9.897 14.994 1.00 71.24 C ATOM 0 H MET A 69 16.293 5.772 12.502 1.00 62.22 H new ATOM 0 HA MET A 69 17.261 5.885 14.535 1.00 33.41 H new ATOM 0 HB2 MET A 69 16.019 7.408 16.072 1.00 21.34 H new ATOM 0 HB3 MET A 69 15.970 7.986 14.419 1.00 21.34 H new ATOM 0 HG2 MET A 69 13.699 7.122 14.107 1.00 54.44 H new ATOM 0 HG3 MET A 69 13.747 6.293 15.650 1.00 54.44 H new ATOM 0 HE1 MET A 69 13.817 10.836 15.037 1.00 71.24 H new ATOM 0 HE2 MET A 69 15.363 10.040 15.416 1.00 71.24 H new ATOM 0 HE3 MET A 69 14.457 9.576 13.956 1.00 71.24 H new ATOM 1174 N LEU A 70 16.064 3.513 15.192 1.00 51.23 N ATOM 1175 CA LEU A 70 15.748 2.370 16.031 1.00 14.33 C ATOM 1176 C LEU A 70 16.574 2.443 17.317 1.00 63.03 C ATOM 1177 O LEU A 70 17.548 3.190 17.391 1.00 3.42 O ATOM 1178 CB LEU A 70 15.934 1.066 15.253 1.00 14.14 C ATOM 1179 CG LEU A 70 14.704 0.552 14.501 1.00 1.44 C ATOM 1180 CD1 LEU A 70 15.103 -0.455 13.421 1.00 2.04 C ATOM 1181 CD2 LEU A 70 13.671 -0.025 15.470 1.00 34.44 C ATOM 0 H LEU A 70 16.509 3.280 14.304 1.00 51.23 H new ATOM 0 HA LEU A 70 14.698 2.391 16.324 1.00 14.33 H new ATOM 0 HB2 LEU A 70 16.742 1.207 14.535 1.00 14.14 H new ATOM 0 HB3 LEU A 70 16.258 0.293 15.950 1.00 14.14 H new ATOM 0 HG LEU A 70 14.235 1.396 13.996 1.00 1.44 H new ATOM 0 HD11 LEU A 70 14.211 -0.804 12.902 1.00 2.04 H new ATOM 0 HD12 LEU A 70 15.774 0.023 12.707 1.00 2.04 H new ATOM 0 HD13 LEU A 70 15.609 -1.303 13.883 1.00 2.04 H new ATOM 0 HD21 LEU A 70 12.807 -0.383 14.910 1.00 34.44 H new ATOM 0 HD22 LEU A 70 14.114 -0.853 16.023 1.00 34.44 H new ATOM 0 HD23 LEU A 70 13.355 0.750 16.169 1.00 34.44 H new ATOM 1193 N PRO A 71 16.144 1.635 18.323 1.00 44.40 N ATOM 1194 CA PRO A 71 16.834 1.601 19.601 1.00 11.05 C ATOM 1195 C PRO A 71 18.149 0.826 19.495 1.00 52.13 C ATOM 1196 O PRO A 71 18.343 0.052 18.559 1.00 43.34 O ATOM 1197 CB PRO A 71 15.845 0.964 20.565 1.00 44.05 C ATOM 1198 CG PRO A 71 14.824 0.245 19.698 1.00 21.34 C ATOM 1199 CD PRO A 71 14.995 0.737 18.270 1.00 32.15 C ATOM 0 HA PRO A 71 17.126 2.592 19.947 1.00 11.05 H new ATOM 0 HB2 PRO A 71 16.347 0.268 21.236 1.00 44.05 H new ATOM 0 HB3 PRO A 71 15.366 1.719 21.189 1.00 44.05 H new ATOM 0 HG2 PRO A 71 14.971 -0.834 19.750 1.00 21.34 H new ATOM 0 HG3 PRO A 71 13.813 0.446 20.052 1.00 21.34 H new ATOM 0 HD2 PRO A 71 15.171 -0.092 17.584 1.00 32.15 H new ATOM 0 HD3 PRO A 71 14.103 1.256 17.920 1.00 32.15 H new ATOM 1207 N PRO A 72 19.041 1.067 20.493 1.00 54.11 N ATOM 1208 CA PRO A 72 20.331 0.401 20.520 1.00 24.32 C ATOM 1209 C PRO A 72 20.186 -1.059 20.955 1.00 10.15 C ATOM 1210 O PRO A 72 21.146 -1.825 20.900 1.00 24.54 O ATOM 1211 CB PRO A 72 21.179 1.224 21.476 1.00 1.11 C ATOM 1212 CG PRO A 72 20.200 2.043 22.302 1.00 60.32 C ATOM 1213 CD PRO A 72 18.844 1.977 21.618 1.00 64.13 C ATOM 0 HA PRO A 72 20.798 0.350 19.537 1.00 24.32 H new ATOM 0 HB2 PRO A 72 21.785 0.580 22.114 1.00 1.11 H new ATOM 0 HB3 PRO A 72 21.866 1.871 20.931 1.00 1.11 H new ATOM 0 HG2 PRO A 72 20.135 1.651 23.317 1.00 60.32 H new ATOM 0 HG3 PRO A 72 20.538 3.076 22.381 1.00 60.32 H new ATOM 0 HD2 PRO A 72 18.076 1.607 22.297 1.00 64.13 H new ATOM 0 HD3 PRO A 72 18.523 2.962 21.279 1.00 64.13 H new ATOM 1221 N GLU A 73 18.977 -1.399 21.378 1.00 24.32 N ATOM 1222 CA GLU A 73 18.694 -2.753 21.823 1.00 73.35 C ATOM 1223 C GLU A 73 18.192 -3.602 20.652 1.00 3.13 C ATOM 1224 O GLU A 73 18.209 -4.830 20.720 1.00 52.04 O ATOM 1225 CB GLU A 73 17.684 -2.753 22.972 1.00 71.12 C ATOM 1226 CG GLU A 73 17.913 -1.561 23.903 1.00 2.10 C ATOM 1227 CD GLU A 73 19.387 -1.449 24.297 1.00 3.23 C ATOM 1228 OE1 GLU A 73 20.123 -2.445 24.235 1.00 2.11 O ATOM 1229 OE2 GLU A 73 19.762 -0.275 24.678 1.00 0.33 O ATOM 0 H GLU A 73 18.183 -0.761 21.422 1.00 24.32 H new ATOM 0 HA GLU A 73 19.619 -3.193 22.196 1.00 73.35 H new ATOM 0 HB2 GLU A 73 16.671 -2.716 22.571 1.00 71.12 H new ATOM 0 HB3 GLU A 73 17.770 -3.682 23.536 1.00 71.12 H new ATOM 0 HG2 GLU A 73 17.594 -0.643 23.410 1.00 2.10 H new ATOM 0 HG3 GLU A 73 17.301 -1.671 24.798 1.00 2.10 H new ATOM 1237 N LYS A 74 17.758 -2.913 19.607 1.00 63.41 N ATOM 1238 CA LYS A 74 17.253 -3.589 18.424 1.00 41.55 C ATOM 1239 C LYS A 74 18.407 -3.832 17.449 1.00 51.44 C ATOM 1240 O LYS A 74 19.534 -3.408 17.698 1.00 65.02 O ATOM 1241 CB LYS A 74 16.089 -2.804 17.815 1.00 32.12 C ATOM 1242 CG LYS A 74 14.753 -3.256 18.409 1.00 22.32 C ATOM 1243 CD LYS A 74 13.596 -2.939 17.460 1.00 33.03 C ATOM 1244 CE LYS A 74 12.451 -3.938 17.639 1.00 15.34 C ATOM 1245 NZ LYS A 74 11.788 -3.737 18.948 1.00 71.25 N ATOM 0 H LYS A 74 17.746 -1.894 19.555 1.00 63.41 H new ATOM 0 HA LYS A 74 16.846 -4.565 18.687 1.00 41.55 H new ATOM 0 HB2 LYS A 74 16.230 -1.738 17.996 1.00 32.12 H new ATOM 0 HB3 LYS A 74 16.077 -2.945 16.734 1.00 32.12 H new ATOM 0 HG2 LYS A 74 14.783 -4.328 18.607 1.00 22.32 H new ATOM 0 HG3 LYS A 74 14.590 -2.760 19.366 1.00 22.32 H new ATOM 0 HD2 LYS A 74 13.234 -1.928 17.647 1.00 33.03 H new ATOM 0 HD3 LYS A 74 13.949 -2.966 16.429 1.00 33.03 H new ATOM 0 HE2 LYS A 74 11.725 -3.817 16.835 1.00 15.34 H new ATOM 0 HE3 LYS A 74 12.835 -4.956 17.571 1.00 15.34 H new ATOM 0 HZ1 LYS A 74 11.013 -4.423 19.054 1.00 71.25 H new ATOM 0 HZ2 LYS A 74 12.480 -3.875 19.712 1.00 71.25 H new ATOM 0 HZ3 LYS A 74 11.405 -2.771 18.998 1.00 71.25 H new ATOM 1258 N ALA A 75 18.085 -4.513 16.359 1.00 50.12 N ATOM 1259 CA ALA A 75 19.081 -4.817 15.345 1.00 34.43 C ATOM 1260 C ALA A 75 18.387 -4.998 13.993 1.00 22.45 C ATOM 1261 O ALA A 75 17.649 -5.962 13.795 1.00 40.05 O ATOM 1262 CB ALA A 75 19.873 -6.057 15.764 1.00 5.04 C ATOM 0 H ALA A 75 17.149 -4.863 16.156 1.00 50.12 H new ATOM 0 HA ALA A 75 19.790 -3.995 15.244 1.00 34.43 H new ATOM 0 HB1 ALA A 75 20.620 -6.286 15.004 1.00 5.04 H new ATOM 0 HB2 ALA A 75 20.370 -5.867 16.716 1.00 5.04 H new ATOM 0 HB3 ALA A 75 19.194 -6.903 15.871 1.00 5.04 H new ATOM 1268 N ILE A 76 18.649 -4.056 13.099 1.00 21.53 N ATOM 1269 CA ILE A 76 18.059 -4.100 11.772 1.00 44.10 C ATOM 1270 C ILE A 76 19.070 -4.693 10.789 1.00 44.14 C ATOM 1271 O ILE A 76 20.275 -4.658 11.035 1.00 70.41 O ATOM 1272 CB ILE A 76 17.547 -2.716 11.368 1.00 43.13 C ATOM 1273 CG1 ILE A 76 16.414 -2.828 10.346 1.00 41.42 C ATOM 1274 CG2 ILE A 76 18.691 -1.835 10.861 1.00 11.55 C ATOM 1275 CD1 ILE A 76 15.846 -1.449 10.004 1.00 0.42 C ATOM 0 H ILE A 76 19.262 -3.258 13.267 1.00 21.53 H new ATOM 0 HA ILE A 76 17.186 -4.752 11.764 1.00 44.10 H new ATOM 0 HB ILE A 76 17.136 -2.232 12.254 1.00 43.13 H new ATOM 0 HG12 ILE A 76 16.783 -3.308 9.440 1.00 41.42 H new ATOM 0 HG13 ILE A 76 15.622 -3.463 10.744 1.00 41.42 H new ATOM 0 HG21 ILE A 76 18.300 -0.857 10.580 1.00 11.55 H new ATOM 0 HG22 ILE A 76 19.435 -1.716 11.649 1.00 11.55 H new ATOM 0 HG23 ILE A 76 19.154 -2.304 9.992 1.00 11.55 H new ATOM 0 HD11 ILE A 76 15.042 -1.557 9.276 1.00 0.42 H new ATOM 0 HD12 ILE A 76 15.456 -0.982 10.908 1.00 0.42 H new ATOM 0 HD13 ILE A 76 16.635 -0.825 9.584 1.00 0.42 H new ATOM 1287 N PHE A 77 18.543 -5.223 9.695 1.00 31.31 N ATOM 1288 CA PHE A 77 19.384 -5.823 8.673 1.00 22.14 C ATOM 1289 C PHE A 77 18.946 -5.384 7.275 1.00 72.12 C ATOM 1290 O PHE A 77 17.758 -5.178 7.029 1.00 45.23 O ATOM 1291 CB PHE A 77 19.221 -7.340 8.793 1.00 2.44 C ATOM 1292 CG PHE A 77 19.455 -7.881 10.205 1.00 1.34 C ATOM 1293 CD1 PHE A 77 18.422 -7.948 11.087 1.00 21.35 C ATOM 1294 CD2 PHE A 77 20.696 -8.294 10.578 1.00 31.13 C ATOM 1295 CE1 PHE A 77 18.639 -8.450 12.398 1.00 62.42 C ATOM 1296 CE2 PHE A 77 20.913 -8.796 11.889 1.00 60.33 C ATOM 1297 CZ PHE A 77 19.880 -8.864 12.771 1.00 40.22 C ATOM 0 H PHE A 77 17.543 -5.249 9.494 1.00 31.31 H new ATOM 0 HA PHE A 77 20.419 -5.513 8.814 1.00 22.14 H new ATOM 0 HB2 PHE A 77 18.216 -7.614 8.472 1.00 2.44 H new ATOM 0 HB3 PHE A 77 19.917 -7.825 8.109 1.00 2.44 H new ATOM 0 HD1 PHE A 77 17.437 -7.620 10.791 1.00 21.35 H new ATOM 0 HD2 PHE A 77 21.516 -8.240 9.878 1.00 31.13 H new ATOM 0 HE1 PHE A 77 17.819 -8.503 13.099 1.00 62.42 H new ATOM 0 HE2 PHE A 77 21.898 -9.124 12.185 1.00 60.33 H new ATOM 0 HZ PHE A 77 20.045 -9.247 13.767 1.00 40.22 H new ATOM 1307 N ILE A 78 19.928 -5.254 6.395 1.00 21.22 N ATOM 1308 CA ILE A 78 19.659 -4.843 5.028 1.00 74.43 C ATOM 1309 C ILE A 78 19.563 -6.083 4.137 1.00 63.53 C ATOM 1310 O ILE A 78 20.222 -7.090 4.395 1.00 51.23 O ATOM 1311 CB ILE A 78 20.702 -3.827 4.558 1.00 33.40 C ATOM 1312 CG1 ILE A 78 20.991 -2.795 5.649 1.00 4.32 C ATOM 1313 CG2 ILE A 78 20.273 -3.169 3.245 1.00 65.11 C ATOM 1314 CD1 ILE A 78 19.695 -2.182 6.182 1.00 53.51 C ATOM 0 H ILE A 78 20.912 -5.426 6.603 1.00 21.22 H new ATOM 0 HA ILE A 78 18.699 -4.330 4.966 1.00 74.43 H new ATOM 0 HB ILE A 78 21.633 -4.358 4.362 1.00 33.40 H new ATOM 0 HG12 ILE A 78 21.537 -3.267 6.466 1.00 4.32 H new ATOM 0 HG13 ILE A 78 21.632 -2.009 5.250 1.00 4.32 H new ATOM 0 HG21 ILE A 78 21.032 -2.451 2.933 1.00 65.11 H new ATOM 0 HG22 ILE A 78 20.158 -3.933 2.476 1.00 65.11 H new ATOM 0 HG23 ILE A 78 19.324 -2.654 3.390 1.00 65.11 H new ATOM 0 HD11 ILE A 78 19.930 -1.452 6.956 1.00 53.51 H new ATOM 0 HD12 ILE A 78 19.164 -1.689 5.368 1.00 53.51 H new ATOM 0 HD13 ILE A 78 19.067 -2.967 6.602 1.00 53.51 H new ATOM 1326 N PHE A 79 18.738 -5.970 3.106 1.00 21.52 N ATOM 1327 CA PHE A 79 18.548 -7.070 2.176 1.00 61.05 C ATOM 1328 C PHE A 79 18.459 -6.560 0.736 1.00 62.54 C ATOM 1329 O PHE A 79 17.870 -5.511 0.480 1.00 64.31 O ATOM 1330 CB PHE A 79 17.227 -7.747 2.547 1.00 63.02 C ATOM 1331 CG PHE A 79 17.170 -8.251 3.991 1.00 44.54 C ATOM 1332 CD1 PHE A 79 16.974 -7.372 5.010 1.00 54.02 C ATOM 1333 CD2 PHE A 79 17.317 -9.577 4.254 1.00 14.35 C ATOM 1334 CE1 PHE A 79 16.921 -7.839 6.350 1.00 73.33 C ATOM 1335 CE2 PHE A 79 17.264 -10.044 5.594 1.00 12.13 C ATOM 1336 CZ PHE A 79 17.067 -9.165 6.614 1.00 71.44 C ATOM 0 H PHE A 79 18.194 -5.134 2.894 1.00 21.52 H new ATOM 0 HA PHE A 79 19.390 -7.760 2.238 1.00 61.05 H new ATOM 0 HB2 PHE A 79 16.412 -7.042 2.387 1.00 63.02 H new ATOM 0 HB3 PHE A 79 17.059 -8.587 1.873 1.00 63.02 H new ATOM 0 HD1 PHE A 79 16.859 -6.319 4.800 1.00 54.02 H new ATOM 0 HD2 PHE A 79 17.474 -10.274 3.444 1.00 14.35 H new ATOM 0 HE1 PHE A 79 16.765 -7.141 7.159 1.00 73.33 H new ATOM 0 HE2 PHE A 79 17.380 -11.097 5.804 1.00 12.13 H new ATOM 0 HZ PHE A 79 17.027 -9.520 7.633 1.00 71.44 H new ATOM 1346 N VAL A 80 19.053 -7.327 -0.167 1.00 72.23 N ATOM 1347 CA VAL A 80 19.048 -6.966 -1.575 1.00 21.51 C ATOM 1348 C VAL A 80 18.656 -8.188 -2.409 1.00 24.14 C ATOM 1349 O VAL A 80 19.170 -9.284 -2.190 1.00 31.25 O ATOM 1350 CB VAL A 80 20.406 -6.383 -1.970 1.00 63.42 C ATOM 1351 CG1 VAL A 80 21.012 -5.576 -0.820 1.00 61.24 C ATOM 1352 CG2 VAL A 80 21.363 -7.485 -2.430 1.00 70.24 C ATOM 0 H VAL A 80 19.541 -8.196 0.049 1.00 72.23 H new ATOM 0 HA VAL A 80 18.307 -6.190 -1.768 1.00 21.51 H new ATOM 0 HB VAL A 80 20.248 -5.705 -2.808 1.00 63.42 H new ATOM 0 HG11 VAL A 80 21.977 -5.173 -1.127 1.00 61.24 H new ATOM 0 HG12 VAL A 80 20.343 -4.756 -0.559 1.00 61.24 H new ATOM 0 HG13 VAL A 80 21.149 -6.223 0.046 1.00 61.24 H new ATOM 0 HG21 VAL A 80 22.321 -7.044 -2.705 1.00 70.24 H new ATOM 0 HG22 VAL A 80 21.512 -8.199 -1.620 1.00 70.24 H new ATOM 0 HG23 VAL A 80 20.939 -7.998 -3.293 1.00 70.24 H new ATOM 1362 N ASN A 81 17.750 -7.958 -3.347 1.00 62.14 N ATOM 1363 CA ASN A 81 17.284 -9.026 -4.215 1.00 73.30 C ATOM 1364 C ASN A 81 16.862 -10.223 -3.361 1.00 74.50 C ATOM 1365 O ASN A 81 17.186 -11.365 -3.683 1.00 74.52 O ATOM 1366 CB ASN A 81 18.392 -9.489 -5.163 1.00 74.12 C ATOM 1367 CG ASN A 81 18.760 -8.385 -6.156 1.00 71.25 C ATOM 1368 OD1 ASN A 81 19.024 -7.212 -5.588 1.00 74.33 O flip ATOM 1369 ND2 ASN A 81 18.802 -8.585 -7.359 1.00 60.21 N flip ATOM 0 H ASN A 81 17.326 -7.048 -3.525 1.00 62.14 H new ATOM 0 HA ASN A 81 16.446 -8.645 -4.799 1.00 73.30 H new ATOM 0 HB2 ASN A 81 19.273 -9.774 -4.587 1.00 74.12 H new ATOM 0 HB3 ASN A 81 18.065 -10.376 -5.705 1.00 74.12 H new ATOM 0 HD21 ASN A 81 18.588 -9.511 -7.730 1.00 60.21 H new ATOM 0 HD22 ASN A 81 19.052 -7.827 -7.994 1.00 60.21 H new ATOM 1376 N ASP A 82 16.145 -9.921 -2.289 1.00 33.24 N ATOM 1377 CA ASP A 82 15.675 -10.958 -1.386 1.00 32.32 C ATOM 1378 C ASP A 82 16.876 -11.717 -0.818 1.00 1.21 C ATOM 1379 O ASP A 82 16.840 -12.940 -0.693 1.00 41.05 O ATOM 1380 CB ASP A 82 14.784 -11.964 -2.118 1.00 41.21 C ATOM 1381 CG ASP A 82 13.580 -11.355 -2.840 1.00 63.33 C ATOM 1382 OD1 ASP A 82 12.977 -11.987 -3.720 1.00 71.40 O ATOM 1383 OD2 ASP A 82 13.262 -10.164 -2.462 1.00 4.25 O ATOM 0 H ASP A 82 15.878 -8.973 -2.025 1.00 33.24 H new ATOM 0 HA ASP A 82 15.102 -10.479 -0.592 1.00 32.32 H new ATOM 0 HB2 ASP A 82 15.391 -12.502 -2.846 1.00 41.21 H new ATOM 0 HB3 ASP A 82 14.424 -12.699 -1.398 1.00 41.21 H new ATOM 1389 N THR A 83 17.912 -10.959 -0.489 1.00 31.15 N ATOM 1390 CA THR A 83 19.122 -11.544 0.063 1.00 31.52 C ATOM 1391 C THR A 83 19.612 -10.727 1.260 1.00 33.44 C ATOM 1392 O THR A 83 18.937 -9.797 1.700 1.00 71.53 O ATOM 1393 CB THR A 83 20.152 -11.650 -1.063 1.00 2.31 C ATOM 1394 OG1 THR A 83 20.927 -12.795 -0.719 1.00 20.03 O ATOM 1395 CG2 THR A 83 21.160 -10.499 -1.044 1.00 41.30 C ATOM 0 H THR A 83 17.938 -9.945 -0.594 1.00 31.15 H new ATOM 0 HA THR A 83 18.936 -12.546 0.449 1.00 31.52 H new ATOM 0 HB THR A 83 19.638 -11.667 -2.024 1.00 2.31 H new ATOM 0 HG1 THR A 83 21.619 -12.938 -1.398 1.00 20.03 H new ATOM 0 HG21 THR A 83 21.868 -10.622 -1.863 1.00 41.30 H new ATOM 0 HG22 THR A 83 20.633 -9.552 -1.159 1.00 41.30 H new ATOM 0 HG23 THR A 83 21.698 -10.502 -0.096 1.00 41.30 H new ATOM 1403 N LEU A 84 20.782 -11.104 1.754 1.00 31.24 N ATOM 1404 CA LEU A 84 21.370 -10.418 2.892 1.00 11.02 C ATOM 1405 C LEU A 84 22.882 -10.302 2.687 1.00 55.33 C ATOM 1406 O LEU A 84 23.631 -11.213 3.034 1.00 32.03 O ATOM 1407 CB LEU A 84 20.978 -11.113 4.198 1.00 44.01 C ATOM 1408 CG LEU A 84 21.097 -10.269 5.469 1.00 52.04 C ATOM 1409 CD1 LEU A 84 19.967 -10.592 6.448 1.00 10.23 C ATOM 1410 CD2 LEU A 84 22.476 -10.434 6.110 1.00 41.12 C ATOM 0 H LEU A 84 21.339 -11.876 1.387 1.00 31.24 H new ATOM 0 HA LEU A 84 20.979 -9.403 2.968 1.00 11.02 H new ATOM 0 HB2 LEU A 84 19.947 -11.456 4.109 1.00 44.01 H new ATOM 0 HB3 LEU A 84 21.600 -12.000 4.315 1.00 44.01 H new ATOM 0 HG LEU A 84 20.995 -9.219 5.193 1.00 52.04 H new ATOM 0 HD11 LEU A 84 20.075 -9.979 7.343 1.00 10.23 H new ATOM 0 HD12 LEU A 84 19.007 -10.382 5.977 1.00 10.23 H new ATOM 0 HD13 LEU A 84 20.014 -11.646 6.722 1.00 10.23 H new ATOM 0 HD21 LEU A 84 22.534 -9.824 7.011 1.00 41.12 H new ATOM 0 HD22 LEU A 84 22.633 -11.481 6.370 1.00 41.12 H new ATOM 0 HD23 LEU A 84 23.245 -10.115 5.406 1.00 41.12 H new ATOM 1422 N PRO A 85 23.295 -9.143 2.108 1.00 44.24 N ATOM 1423 CA PRO A 85 24.704 -8.895 1.852 1.00 60.55 C ATOM 1424 C PRO A 85 25.445 -8.554 3.146 1.00 51.31 C ATOM 1425 O PRO A 85 24.829 -8.138 4.127 1.00 65.45 O ATOM 1426 CB PRO A 85 24.727 -7.764 0.837 1.00 12.54 C ATOM 1427 CG PRO A 85 23.357 -7.109 0.913 1.00 41.40 C ATOM 1428 CD PRO A 85 22.436 -8.041 1.683 1.00 64.32 C ATOM 0 HA PRO A 85 25.221 -9.772 1.462 1.00 60.55 H new ATOM 0 HB2 PRO A 85 25.516 -7.048 1.068 1.00 12.54 H new ATOM 0 HB3 PRO A 85 24.924 -8.143 -0.166 1.00 12.54 H new ATOM 0 HG2 PRO A 85 23.424 -6.142 1.411 1.00 41.40 H new ATOM 0 HG3 PRO A 85 22.965 -6.926 -0.088 1.00 41.40 H new ATOM 0 HD2 PRO A 85 21.987 -7.536 2.538 1.00 64.32 H new ATOM 0 HD3 PRO A 85 21.618 -8.396 1.056 1.00 64.32 H new ATOM 1436 N PRO A 86 26.791 -8.746 3.106 1.00 74.12 N ATOM 1437 CA PRO A 86 27.622 -8.463 4.263 1.00 11.33 C ATOM 1438 C PRO A 86 27.808 -6.955 4.449 1.00 61.41 C ATOM 1439 O PRO A 86 27.485 -6.172 3.558 1.00 54.04 O ATOM 1440 CB PRO A 86 28.928 -9.194 3.998 1.00 33.35 C ATOM 1441 CG PRO A 86 28.954 -9.473 2.504 1.00 35.34 C ATOM 1442 CD PRO A 86 27.554 -9.237 1.962 1.00 54.32 C ATOM 0 HA PRO A 86 27.173 -8.803 5.196 1.00 11.33 H new ATOM 0 HB2 PRO A 86 29.783 -8.587 4.297 1.00 33.35 H new ATOM 0 HB3 PRO A 86 28.980 -10.121 4.569 1.00 33.35 H new ATOM 0 HG2 PRO A 86 29.671 -8.820 2.006 1.00 35.34 H new ATOM 0 HG3 PRO A 86 29.270 -10.499 2.313 1.00 35.34 H new ATOM 0 HD2 PRO A 86 27.561 -8.510 1.150 1.00 54.32 H new ATOM 0 HD3 PRO A 86 27.123 -10.156 1.564 1.00 54.32 H new ATOM 1450 N THR A 87 28.329 -6.595 5.613 1.00 51.34 N ATOM 1451 CA THR A 87 28.562 -5.195 5.927 1.00 61.35 C ATOM 1452 C THR A 87 29.848 -4.706 5.258 1.00 40.14 C ATOM 1453 O THR A 87 30.031 -3.506 5.059 1.00 11.22 O ATOM 1454 CB THR A 87 28.575 -5.048 7.449 1.00 23.33 C ATOM 1455 OG1 THR A 87 29.186 -3.780 7.670 1.00 10.14 O ATOM 1456 CG2 THR A 87 29.523 -6.041 8.125 1.00 3.03 C ATOM 0 H THR A 87 28.596 -7.248 6.350 1.00 51.34 H new ATOM 0 HA THR A 87 27.767 -4.563 5.532 1.00 61.35 H new ATOM 0 HB THR A 87 27.566 -5.189 7.836 1.00 23.33 H new ATOM 0 HG1 THR A 87 29.233 -3.603 8.633 1.00 10.14 H new ATOM 0 HG21 THR A 87 29.494 -5.894 9.205 1.00 3.03 H new ATOM 0 HG22 THR A 87 29.213 -7.059 7.889 1.00 3.03 H new ATOM 0 HG23 THR A 87 30.538 -5.878 7.764 1.00 3.03 H new ATOM 1464 N ALA A 88 30.706 -5.660 4.928 1.00 20.23 N ATOM 1465 CA ALA A 88 31.970 -5.341 4.286 1.00 73.43 C ATOM 1466 C ALA A 88 31.717 -4.999 2.816 1.00 4.31 C ATOM 1467 O ALA A 88 32.392 -4.140 2.251 1.00 43.33 O ATOM 1468 CB ALA A 88 32.938 -6.514 4.453 1.00 32.30 C ATOM 0 H ALA A 88 30.551 -6.654 5.093 1.00 20.23 H new ATOM 0 HA ALA A 88 32.429 -4.470 4.754 1.00 73.43 H new ATOM 0 HB1 ALA A 88 33.886 -6.275 3.971 1.00 32.30 H new ATOM 0 HB2 ALA A 88 33.106 -6.699 5.514 1.00 32.30 H new ATOM 0 HB3 ALA A 88 32.512 -7.406 3.993 1.00 32.30 H new ATOM 1474 N ALA A 89 30.744 -5.688 2.240 1.00 52.04 N ATOM 1475 CA ALA A 89 30.394 -5.467 0.847 1.00 61.34 C ATOM 1476 C ALA A 89 30.399 -3.965 0.556 1.00 64.23 C ATOM 1477 O ALA A 89 29.946 -3.169 1.376 1.00 1.22 O ATOM 1478 CB ALA A 89 29.039 -6.113 0.552 1.00 71.52 C ATOM 0 H ALA A 89 30.187 -6.400 2.712 1.00 52.04 H new ATOM 0 HA ALA A 89 31.128 -5.933 0.189 1.00 61.34 H new ATOM 0 HB1 ALA A 89 28.777 -5.947 -0.493 1.00 71.52 H new ATOM 0 HB2 ALA A 89 29.097 -7.184 0.746 1.00 71.52 H new ATOM 0 HB3 ALA A 89 28.277 -5.669 1.192 1.00 71.52 H new ATOM 1484 N LEU A 90 30.917 -3.623 -0.615 1.00 24.42 N ATOM 1485 CA LEU A 90 30.988 -2.231 -1.024 1.00 73.02 C ATOM 1486 C LEU A 90 29.715 -1.864 -1.790 1.00 32.12 C ATOM 1487 O LEU A 90 29.247 -2.633 -2.628 1.00 60.12 O ATOM 1488 CB LEU A 90 32.275 -1.967 -1.809 1.00 33.54 C ATOM 1489 CG LEU A 90 32.941 -0.611 -1.568 1.00 73.15 C ATOM 1490 CD1 LEU A 90 33.220 -0.393 -0.080 1.00 73.11 C ATOM 1491 CD2 LEU A 90 34.206 -0.464 -2.416 1.00 53.44 C ATOM 0 H LEU A 90 31.291 -4.286 -1.293 1.00 24.42 H new ATOM 0 HA LEU A 90 31.035 -1.580 -0.151 1.00 73.02 H new ATOM 0 HB2 LEU A 90 32.993 -2.750 -1.566 1.00 33.54 H new ATOM 0 HB3 LEU A 90 32.053 -2.057 -2.872 1.00 33.54 H new ATOM 0 HG LEU A 90 32.249 0.170 -1.883 1.00 73.15 H new ATOM 0 HD11 LEU A 90 33.694 0.578 0.063 1.00 73.11 H new ATOM 0 HD12 LEU A 90 32.282 -0.425 0.474 1.00 73.11 H new ATOM 0 HD13 LEU A 90 33.883 -1.177 0.284 1.00 73.11 H new ATOM 0 HD21 LEU A 90 34.660 0.508 -2.226 1.00 53.44 H new ATOM 0 HD22 LEU A 90 34.913 -1.252 -2.155 1.00 53.44 H new ATOM 0 HD23 LEU A 90 33.948 -0.544 -3.472 1.00 53.44 H new ATOM 1503 N MET A 91 29.191 -0.689 -1.474 1.00 74.10 N ATOM 1504 CA MET A 91 27.981 -0.211 -2.122 1.00 10.23 C ATOM 1505 C MET A 91 28.208 0.000 -3.620 1.00 71.31 C ATOM 1506 O MET A 91 27.254 0.172 -4.378 1.00 3.43 O ATOM 1507 CB MET A 91 27.546 1.109 -1.481 1.00 30.52 C ATOM 1508 CG MET A 91 27.355 0.948 0.029 1.00 72.12 C ATOM 1509 SD MET A 91 26.238 -0.404 0.362 1.00 14.33 S ATOM 1510 CE MET A 91 24.893 0.030 -0.729 1.00 33.55 C ATOM 0 H MET A 91 29.582 -0.054 -0.778 1.00 74.10 H new ATOM 0 HA MET A 91 27.202 -0.962 -1.994 1.00 10.23 H new ATOM 0 HB2 MET A 91 28.295 1.877 -1.677 1.00 30.52 H new ATOM 0 HB3 MET A 91 26.615 1.449 -1.935 1.00 30.52 H new ATOM 0 HG2 MET A 91 28.316 0.763 0.508 1.00 72.12 H new ATOM 0 HG3 MET A 91 26.960 1.870 0.454 1.00 72.12 H new ATOM 0 HE1 MET A 91 23.984 -0.479 -0.407 1.00 33.55 H new ATOM 0 HE2 MET A 91 24.735 1.108 -0.701 1.00 33.55 H new ATOM 0 HE3 MET A 91 25.137 -0.274 -1.747 1.00 33.55 H new ATOM 1520 N SER A 92 29.476 -0.022 -4.003 1.00 1.42 N ATOM 1521 CA SER A 92 29.840 0.165 -5.397 1.00 63.21 C ATOM 1522 C SER A 92 29.846 -1.183 -6.121 1.00 72.02 C ATOM 1523 O SER A 92 29.388 -1.283 -7.259 1.00 2.44 O ATOM 1524 CB SER A 92 31.207 0.841 -5.524 1.00 30.14 C ATOM 1525 OG SER A 92 31.340 1.549 -6.753 1.00 3.42 O ATOM 0 H SER A 92 30.264 -0.167 -3.372 1.00 1.42 H new ATOM 0 HA SER A 92 29.098 0.816 -5.860 1.00 63.21 H new ATOM 0 HB2 SER A 92 31.350 1.530 -4.691 1.00 30.14 H new ATOM 0 HB3 SER A 92 31.992 0.088 -5.453 1.00 30.14 H new ATOM 0 HG SER A 92 31.404 0.910 -7.493 1.00 3.42 H new ATOM 1531 N ALA A 93 30.369 -2.187 -5.432 1.00 51.52 N ATOM 1532 CA ALA A 93 30.440 -3.524 -5.995 1.00 61.24 C ATOM 1533 C ALA A 93 29.041 -4.143 -6.007 1.00 52.12 C ATOM 1534 O ALA A 93 28.667 -4.823 -6.961 1.00 62.53 O ATOM 1535 CB ALA A 93 31.441 -4.362 -5.197 1.00 42.32 C ATOM 0 H ALA A 93 30.748 -2.101 -4.489 1.00 51.52 H new ATOM 0 HA ALA A 93 30.793 -3.488 -7.025 1.00 61.24 H new ATOM 0 HB1 ALA A 93 31.494 -5.365 -5.620 1.00 42.32 H new ATOM 0 HB2 ALA A 93 32.425 -3.896 -5.244 1.00 42.32 H new ATOM 0 HB3 ALA A 93 31.118 -4.423 -4.158 1.00 42.32 H new ATOM 1541 N ILE A 94 28.305 -3.884 -4.936 1.00 62.31 N ATOM 1542 CA ILE A 94 26.955 -4.407 -4.811 1.00 63.42 C ATOM 1543 C ILE A 94 26.071 -3.791 -5.897 1.00 45.51 C ATOM 1544 O ILE A 94 25.530 -4.503 -6.741 1.00 64.12 O ATOM 1545 CB ILE A 94 26.426 -4.192 -3.392 1.00 3.22 C ATOM 1546 CG1 ILE A 94 27.277 -4.947 -2.369 1.00 21.50 C ATOM 1547 CG2 ILE A 94 24.946 -4.567 -3.295 1.00 62.14 C ATOM 1548 CD1 ILE A 94 26.992 -6.450 -2.422 1.00 5.20 C ATOM 0 H ILE A 94 28.618 -3.319 -4.147 1.00 62.31 H new ATOM 0 HA ILE A 94 26.949 -5.486 -4.968 1.00 63.42 H new ATOM 0 HB ILE A 94 26.505 -3.131 -3.156 1.00 3.22 H new ATOM 0 HG12 ILE A 94 28.334 -4.766 -2.565 1.00 21.50 H new ATOM 0 HG13 ILE A 94 27.070 -4.569 -1.368 1.00 21.50 H new ATOM 0 HG21 ILE A 94 24.596 -4.405 -2.276 1.00 62.14 H new ATOM 0 HG22 ILE A 94 24.368 -3.947 -3.981 1.00 62.14 H new ATOM 0 HG23 ILE A 94 24.819 -5.617 -3.560 1.00 62.14 H new ATOM 0 HD11 ILE A 94 27.610 -6.964 -1.685 1.00 5.20 H new ATOM 0 HD12 ILE A 94 25.940 -6.629 -2.201 1.00 5.20 H new ATOM 0 HD13 ILE A 94 27.224 -6.829 -3.417 1.00 5.20 H new ATOM 1560 N TYR A 95 25.953 -2.472 -5.840 1.00 75.23 N ATOM 1561 CA TYR A 95 25.144 -1.751 -6.809 1.00 34.35 C ATOM 1562 C TYR A 95 25.598 -2.056 -8.238 1.00 13.14 C ATOM 1563 O TYR A 95 24.816 -1.937 -9.180 1.00 32.43 O ATOM 1564 CB TYR A 95 25.367 -0.265 -6.521 1.00 75.21 C ATOM 1565 CG TYR A 95 24.824 0.667 -7.606 1.00 74.33 C ATOM 1566 CD1 TYR A 95 25.436 0.717 -8.842 1.00 75.12 C ATOM 1567 CD2 TYR A 95 23.722 1.457 -7.349 1.00 52.22 C ATOM 1568 CE1 TYR A 95 24.925 1.594 -9.864 1.00 15.04 C ATOM 1569 CE2 TYR A 95 23.211 2.334 -8.370 1.00 52.35 C ATOM 1570 CZ TYR A 95 23.837 2.359 -9.577 1.00 44.53 C ATOM 1571 OH TYR A 95 23.355 3.188 -10.542 1.00 32.11 O ATOM 0 H TYR A 95 26.404 -1.884 -5.139 1.00 75.23 H new ATOM 0 HA TYR A 95 24.096 -2.040 -6.726 1.00 34.35 H new ATOM 0 HB2 TYR A 95 24.894 -0.015 -5.571 1.00 75.21 H new ATOM 0 HB3 TYR A 95 26.435 -0.085 -6.403 1.00 75.21 H new ATOM 0 HD1 TYR A 95 26.298 0.098 -9.043 1.00 75.12 H new ATOM 0 HD2 TYR A 95 23.243 1.417 -6.382 1.00 52.22 H new ATOM 0 HE1 TYR A 95 25.394 1.643 -10.835 1.00 15.04 H new ATOM 0 HE2 TYR A 95 22.350 2.958 -8.182 1.00 52.35 H new ATOM 0 HH TYR A 95 22.534 2.809 -10.919 1.00 32.11 H new ATOM 1581 N GLN A 96 26.860 -2.442 -8.354 1.00 34.33 N ATOM 1582 CA GLN A 96 27.427 -2.765 -9.652 1.00 1.21 C ATOM 1583 C GLN A 96 26.734 -3.994 -10.244 1.00 11.51 C ATOM 1584 O GLN A 96 26.465 -4.041 -11.443 1.00 74.22 O ATOM 1585 CB GLN A 96 28.938 -2.983 -9.551 1.00 20.31 C ATOM 1586 CG GLN A 96 29.704 -1.764 -10.067 1.00 42.41 C ATOM 1587 CD GLN A 96 31.109 -1.702 -9.463 1.00 74.41 C ATOM 1588 OE1 GLN A 96 31.509 -0.723 -8.856 1.00 0.03 O ATOM 1589 NE2 GLN A 96 31.832 -2.801 -9.663 1.00 12.42 N ATOM 0 H GLN A 96 27.506 -2.538 -7.570 1.00 34.33 H new ATOM 0 HA GLN A 96 27.258 -1.921 -10.320 1.00 1.21 H new ATOM 0 HB2 GLN A 96 29.212 -3.177 -8.514 1.00 20.31 H new ATOM 0 HB3 GLN A 96 29.221 -3.865 -10.126 1.00 20.31 H new ATOM 0 HG2 GLN A 96 29.773 -1.807 -11.154 1.00 42.41 H new ATOM 0 HG3 GLN A 96 29.157 -0.855 -9.818 1.00 42.41 H new ATOM 0 HE21 GLN A 96 31.435 -3.585 -10.181 1.00 12.42 H new ATOM 0 HE22 GLN A 96 32.783 -2.859 -9.299 1.00 12.42 H new ATOM 1598 N GLU A 97 26.465 -4.957 -9.376 1.00 33.35 N ATOM 1599 CA GLU A 97 25.808 -6.183 -9.797 1.00 51.14 C ATOM 1600 C GLU A 97 24.358 -6.203 -9.309 1.00 70.33 C ATOM 1601 O GLU A 97 23.623 -7.154 -9.574 1.00 44.44 O ATOM 1602 CB GLU A 97 26.571 -7.413 -9.301 1.00 52.41 C ATOM 1603 CG GLU A 97 27.776 -7.708 -10.196 1.00 4.02 C ATOM 1604 CD GLU A 97 28.116 -9.200 -10.184 1.00 13.24 C ATOM 1605 OE1 GLU A 97 28.931 -9.643 -9.361 1.00 61.43 O ATOM 1606 OE2 GLU A 97 27.498 -9.907 -11.068 1.00 51.23 O ATOM 0 H GLU A 97 26.690 -4.914 -8.382 1.00 33.35 H new ATOM 0 HA GLU A 97 25.804 -6.214 -10.887 1.00 51.14 H new ATOM 0 HB2 GLU A 97 26.906 -7.249 -8.277 1.00 52.41 H new ATOM 0 HB3 GLU A 97 25.906 -8.276 -9.285 1.00 52.41 H new ATOM 0 HG2 GLU A 97 27.563 -7.388 -11.216 1.00 4.02 H new ATOM 0 HG3 GLU A 97 28.637 -7.133 -9.855 1.00 4.02 H new ATOM 1614 N HIS A 98 23.989 -5.144 -8.605 1.00 4.43 N ATOM 1615 CA HIS A 98 22.640 -5.028 -8.077 1.00 45.11 C ATOM 1616 C HIS A 98 21.903 -3.897 -8.797 1.00 2.33 C ATOM 1617 O HIS A 98 20.695 -3.736 -8.633 1.00 52.33 O ATOM 1618 CB HIS A 98 22.665 -4.848 -6.558 1.00 11.50 C ATOM 1619 CG HIS A 98 22.970 -6.114 -5.794 1.00 43.11 C ATOM 1620 ND1 HIS A 98 24.126 -6.548 -5.213 1.00 75.44 N flip ATOM 1621 CD2 HIS A 98 22.024 -7.096 -5.562 1.00 54.41 C flip ATOM 1622 CE1 HIS A 98 23.897 -7.730 -4.655 1.00 60.34 C flip ATOM 1623 NE2 HIS A 98 22.594 -8.072 -4.871 1.00 74.15 N flip ATOM 0 H HIS A 98 24.601 -4.357 -8.387 1.00 4.43 H new ATOM 0 HA HIS A 98 22.091 -5.950 -8.266 1.00 45.11 H new ATOM 0 HB2 HIS A 98 23.410 -4.094 -6.304 1.00 11.50 H new ATOM 0 HB3 HIS A 98 21.699 -4.463 -6.232 1.00 11.50 H new ATOM 0 HD2 HIS A 98 20.995 -7.071 -5.889 1.00 54.41 H new ATOM 0 HE1 HIS A 98 24.622 -8.323 -4.118 1.00 60.34 H new ATOM 0 HE2 HIS A 98 22.139 -8.929 -4.556 1.00 74.15 H new ATOM 1631 N LYS A 99 22.662 -3.142 -9.578 1.00 71.20 N ATOM 1632 CA LYS A 99 22.096 -2.031 -10.323 1.00 51.33 C ATOM 1633 C LYS A 99 20.897 -2.525 -11.136 1.00 3.32 C ATOM 1634 O LYS A 99 20.895 -3.655 -11.621 1.00 43.13 O ATOM 1635 CB LYS A 99 23.173 -1.349 -11.169 1.00 42.12 C ATOM 1636 CG LYS A 99 22.556 -0.644 -12.379 1.00 0.23 C ATOM 1637 CD LYS A 99 22.500 -1.579 -13.588 1.00 55.25 C ATOM 1638 CE LYS A 99 23.901 -1.842 -14.144 1.00 54.20 C ATOM 1639 NZ LYS A 99 24.230 -0.863 -15.205 1.00 33.44 N ATOM 0 H LYS A 99 23.664 -3.278 -9.711 1.00 71.20 H new ATOM 0 HA LYS A 99 21.726 -1.265 -9.641 1.00 51.33 H new ATOM 0 HB2 LYS A 99 23.715 -0.626 -10.560 1.00 42.12 H new ATOM 0 HB3 LYS A 99 23.899 -2.089 -11.506 1.00 42.12 H new ATOM 0 HG2 LYS A 99 21.551 -0.303 -12.132 1.00 0.23 H new ATOM 0 HG3 LYS A 99 23.142 0.241 -12.626 1.00 0.23 H new ATOM 0 HD2 LYS A 99 22.036 -2.523 -13.301 1.00 55.25 H new ATOM 0 HD3 LYS A 99 21.874 -1.139 -14.364 1.00 55.25 H new ATOM 0 HE2 LYS A 99 24.635 -1.777 -13.341 1.00 54.20 H new ATOM 0 HE3 LYS A 99 23.955 -2.854 -14.545 1.00 54.20 H new ATOM 0 HZ1 LYS A 99 25.184 -1.056 -15.571 1.00 33.44 H new ATOM 0 HZ2 LYS A 99 23.539 -0.944 -15.978 1.00 33.44 H new ATOM 0 HZ3 LYS A 99 24.198 0.099 -14.812 1.00 33.44 H new ATOM 1652 N ASP A 100 19.907 -1.653 -11.259 1.00 32.53 N ATOM 1653 CA ASP A 100 18.705 -1.987 -12.004 1.00 32.00 C ATOM 1654 C ASP A 100 18.780 -1.353 -13.395 1.00 30.54 C ATOM 1655 O ASP A 100 19.758 -0.683 -13.723 1.00 73.54 O ATOM 1656 CB ASP A 100 17.456 -1.447 -11.305 1.00 53.42 C ATOM 1657 CG ASP A 100 16.181 -2.261 -11.537 1.00 65.13 C ATOM 1658 OD1 ASP A 100 16.031 -3.375 -11.013 1.00 41.13 O ATOM 1659 OD2 ASP A 100 15.308 -1.700 -12.303 1.00 32.21 O ATOM 0 H ASP A 100 19.913 -0.716 -10.856 1.00 32.53 H new ATOM 0 HA ASP A 100 18.640 -3.073 -12.070 1.00 32.00 H new ATOM 0 HB2 ASP A 100 17.649 -1.401 -10.233 1.00 53.42 H new ATOM 0 HB3 ASP A 100 17.283 -0.425 -11.642 1.00 53.42 H new ATOM 1665 N LYS A 101 17.734 -1.588 -14.174 1.00 5.21 N ATOM 1666 CA LYS A 101 17.670 -1.048 -15.522 1.00 33.44 C ATOM 1667 C LYS A 101 17.375 0.451 -15.452 1.00 40.33 C ATOM 1668 O LYS A 101 17.586 1.175 -16.425 1.00 21.44 O ATOM 1669 CB LYS A 101 16.664 -1.834 -16.366 1.00 22.45 C ATOM 1670 CG LYS A 101 17.044 -3.315 -16.433 1.00 43.15 C ATOM 1671 CD LYS A 101 16.325 -4.013 -17.589 1.00 74.20 C ATOM 1672 CE LYS A 101 14.822 -3.729 -17.550 1.00 74.53 C ATOM 1673 NZ LYS A 101 14.503 -2.515 -18.334 1.00 61.22 N ATOM 0 H LYS A 101 16.925 -2.144 -13.898 1.00 5.21 H new ATOM 0 HA LYS A 101 18.631 -1.161 -16.024 1.00 33.44 H new ATOM 0 HB2 LYS A 101 15.666 -1.730 -15.940 1.00 22.45 H new ATOM 0 HB3 LYS A 101 16.626 -1.419 -17.373 1.00 22.45 H new ATOM 0 HG2 LYS A 101 18.122 -3.412 -16.559 1.00 43.15 H new ATOM 0 HG3 LYS A 101 16.788 -3.803 -15.493 1.00 43.15 H new ATOM 0 HD2 LYS A 101 16.739 -3.672 -18.538 1.00 74.20 H new ATOM 0 HD3 LYS A 101 16.497 -5.088 -17.533 1.00 74.20 H new ATOM 0 HE2 LYS A 101 14.274 -4.582 -17.951 1.00 74.53 H new ATOM 0 HE3 LYS A 101 14.497 -3.598 -16.518 1.00 74.53 H new ATOM 0 HZ1 LYS A 101 14.237 -1.744 -17.688 1.00 61.22 H new ATOM 0 HZ2 LYS A 101 15.336 -2.231 -18.888 1.00 61.22 H new ATOM 0 HZ3 LYS A 101 13.711 -2.716 -18.978 1.00 61.22 H new ATOM 1686 N ASP A 102 16.892 0.874 -14.293 1.00 52.14 N ATOM 1687 CA ASP A 102 16.566 2.275 -14.085 1.00 20.34 C ATOM 1688 C ASP A 102 17.799 3.006 -13.549 1.00 55.21 C ATOM 1689 O ASP A 102 17.848 4.235 -13.559 1.00 4.12 O ATOM 1690 CB ASP A 102 15.441 2.432 -13.060 1.00 31.51 C ATOM 1691 CG ASP A 102 15.646 1.664 -11.752 1.00 55.12 C ATOM 1692 OD1 ASP A 102 16.619 1.897 -11.021 1.00 25.22 O ATOM 1693 OD2 ASP A 102 14.741 0.782 -11.490 1.00 42.33 O ATOM 0 H ASP A 102 16.719 0.272 -13.488 1.00 52.14 H new ATOM 0 HA ASP A 102 16.245 2.693 -15.039 1.00 20.34 H new ATOM 0 HB2 ASP A 102 15.326 3.491 -12.828 1.00 31.51 H new ATOM 0 HB3 ASP A 102 14.507 2.102 -13.515 1.00 31.51 H new ATOM 1699 N GLY A 103 18.763 2.220 -13.095 1.00 31.44 N ATOM 1700 CA GLY A 103 19.992 2.777 -12.556 1.00 50.11 C ATOM 1701 C GLY A 103 20.023 2.665 -11.030 1.00 53.04 C ATOM 1702 O GLY A 103 20.954 2.094 -10.465 1.00 51.00 O ATOM 0 H GLY A 103 18.718 1.201 -13.089 1.00 31.44 H new ATOM 0 HA2 GLY A 103 20.849 2.254 -12.980 1.00 50.11 H new ATOM 0 HA3 GLY A 103 20.080 3.823 -12.849 1.00 50.11 H new ATOM 1706 N PHE A 104 18.993 3.219 -10.407 1.00 50.15 N ATOM 1707 CA PHE A 104 18.890 3.189 -8.958 1.00 63.44 C ATOM 1708 C PHE A 104 19.055 1.763 -8.427 1.00 1.31 C ATOM 1709 O PHE A 104 19.209 0.822 -9.203 1.00 62.50 O ATOM 1710 CB PHE A 104 17.493 3.696 -8.598 1.00 54.03 C ATOM 1711 CG PHE A 104 17.453 5.168 -8.181 1.00 61.34 C ATOM 1712 CD1 PHE A 104 17.854 5.532 -6.934 1.00 11.00 C ATOM 1713 CD2 PHE A 104 17.017 6.111 -9.058 1.00 44.45 C ATOM 1714 CE1 PHE A 104 17.817 6.898 -6.547 1.00 64.11 C ATOM 1715 CE2 PHE A 104 16.981 7.477 -8.672 1.00 12.24 C ATOM 1716 CZ PHE A 104 17.382 7.842 -7.424 1.00 74.42 C ATOM 0 H PHE A 104 18.222 3.691 -10.880 1.00 50.15 H new ATOM 0 HA PHE A 104 19.672 3.806 -8.516 1.00 63.44 H new ATOM 0 HB2 PHE A 104 16.834 3.554 -9.455 1.00 54.03 H new ATOM 0 HB3 PHE A 104 17.095 3.088 -7.786 1.00 54.03 H new ATOM 0 HD1 PHE A 104 18.201 4.783 -6.238 1.00 11.00 H new ATOM 0 HD2 PHE A 104 16.698 5.821 -10.048 1.00 44.45 H new ATOM 0 HE1 PHE A 104 18.134 7.187 -5.556 1.00 64.11 H new ATOM 0 HE2 PHE A 104 16.635 8.226 -9.369 1.00 12.24 H new ATOM 0 HZ PHE A 104 17.355 8.881 -7.130 1.00 74.42 H new ATOM 1726 N LEU A 105 19.017 1.650 -7.107 1.00 71.25 N ATOM 1727 CA LEU A 105 19.160 0.355 -6.463 1.00 41.32 C ATOM 1728 C LEU A 105 17.874 0.023 -5.704 1.00 52.13 C ATOM 1729 O LEU A 105 17.106 0.918 -5.355 1.00 2.51 O ATOM 1730 CB LEU A 105 20.415 0.328 -5.588 1.00 51.21 C ATOM 1731 CG LEU A 105 21.116 -1.026 -5.463 1.00 2.21 C ATOM 1732 CD1 LEU A 105 21.310 -1.672 -6.836 1.00 42.22 C ATOM 1733 CD2 LEU A 105 22.436 -0.891 -4.701 1.00 63.23 C ATOM 0 H LEU A 105 18.889 2.433 -6.466 1.00 71.25 H new ATOM 0 HA LEU A 105 19.302 -0.428 -7.208 1.00 41.32 H new ATOM 0 HB2 LEU A 105 21.128 1.049 -5.988 1.00 51.21 H new ATOM 0 HB3 LEU A 105 20.144 0.668 -4.589 1.00 51.21 H new ATOM 0 HG LEU A 105 20.476 -1.690 -4.883 1.00 2.21 H new ATOM 0 HD11 LEU A 105 21.810 -2.633 -6.718 1.00 42.22 H new ATOM 0 HD12 LEU A 105 20.339 -1.824 -7.307 1.00 42.22 H new ATOM 0 HD13 LEU A 105 21.919 -1.020 -7.462 1.00 42.22 H new ATOM 0 HD21 LEU A 105 22.914 -1.868 -4.626 1.00 63.23 H new ATOM 0 HD22 LEU A 105 23.095 -0.204 -5.233 1.00 63.23 H new ATOM 0 HD23 LEU A 105 22.241 -0.505 -3.701 1.00 63.23 H new ATOM 1745 N TYR A 106 17.678 -1.266 -5.472 1.00 21.45 N ATOM 1746 CA TYR A 106 16.498 -1.728 -4.760 1.00 40.14 C ATOM 1747 C TYR A 106 16.885 -2.597 -3.562 1.00 72.22 C ATOM 1748 O TYR A 106 17.208 -3.773 -3.722 1.00 74.35 O ATOM 1749 CB TYR A 106 15.710 -2.578 -5.759 1.00 32.12 C ATOM 1750 CG TYR A 106 16.587 -3.397 -6.708 1.00 20.14 C ATOM 1751 CD1 TYR A 106 17.323 -2.763 -7.688 1.00 14.31 C ATOM 1752 CD2 TYR A 106 16.643 -4.771 -6.583 1.00 50.40 C ATOM 1753 CE1 TYR A 106 18.148 -3.534 -8.581 1.00 3.31 C ATOM 1754 CE2 TYR A 106 17.469 -5.542 -7.476 1.00 53.50 C ATOM 1755 CZ TYR A 106 18.181 -4.885 -8.431 1.00 35.01 C ATOM 1756 OH TYR A 106 18.960 -5.613 -9.274 1.00 64.13 O ATOM 0 H TYR A 106 18.316 -2.006 -5.764 1.00 21.45 H new ATOM 0 HA TYR A 106 15.922 -0.883 -4.383 1.00 40.14 H new ATOM 0 HB2 TYR A 106 15.057 -3.256 -5.208 1.00 32.12 H new ATOM 0 HB3 TYR A 106 15.067 -1.925 -6.348 1.00 32.12 H new ATOM 0 HD1 TYR A 106 17.280 -1.688 -7.785 1.00 14.31 H new ATOM 0 HD2 TYR A 106 16.067 -5.267 -5.816 1.00 50.40 H new ATOM 0 HE1 TYR A 106 18.728 -3.050 -9.353 1.00 3.31 H new ATOM 0 HE2 TYR A 106 17.522 -6.617 -7.389 1.00 53.50 H new ATOM 0 HH TYR A 106 19.805 -5.141 -9.428 1.00 64.13 H new ATOM 1766 N VAL A 107 16.840 -1.985 -2.388 1.00 55.33 N ATOM 1767 CA VAL A 107 17.181 -2.688 -1.164 1.00 22.05 C ATOM 1768 C VAL A 107 16.036 -2.541 -0.160 1.00 1.24 C ATOM 1769 O VAL A 107 15.172 -1.680 -0.320 1.00 3.24 O ATOM 1770 CB VAL A 107 18.519 -2.179 -0.623 1.00 41.44 C ATOM 1771 CG1 VAL A 107 18.701 -0.690 -0.924 1.00 55.43 C ATOM 1772 CG2 VAL A 107 18.646 -2.455 0.876 1.00 13.42 C ATOM 0 H VAL A 107 16.572 -1.009 -2.259 1.00 55.33 H new ATOM 0 HA VAL A 107 17.308 -3.753 -1.359 1.00 22.05 H new ATOM 0 HB VAL A 107 19.315 -2.724 -1.132 1.00 41.44 H new ATOM 0 HG11 VAL A 107 19.660 -0.353 -0.529 1.00 55.43 H new ATOM 0 HG12 VAL A 107 18.677 -0.531 -2.002 1.00 55.43 H new ATOM 0 HG13 VAL A 107 17.896 -0.123 -0.456 1.00 55.43 H new ATOM 0 HG21 VAL A 107 19.606 -2.083 1.234 1.00 13.42 H new ATOM 0 HG22 VAL A 107 17.840 -1.950 1.408 1.00 13.42 H new ATOM 0 HG23 VAL A 107 18.583 -3.528 1.055 1.00 13.42 H new ATOM 1782 N THR A 108 16.066 -3.394 0.853 1.00 23.24 N ATOM 1783 CA THR A 108 15.042 -3.370 1.883 1.00 14.03 C ATOM 1784 C THR A 108 15.633 -3.781 3.233 1.00 13.54 C ATOM 1785 O THR A 108 16.403 -4.736 3.313 1.00 21.10 O ATOM 1786 CB THR A 108 13.890 -4.268 1.426 1.00 42.51 C ATOM 1787 OG1 THR A 108 13.409 -3.639 0.241 1.00 3.41 O ATOM 1788 CG2 THR A 108 12.697 -4.222 2.382 1.00 32.34 C ATOM 0 H THR A 108 16.784 -4.107 0.982 1.00 23.24 H new ATOM 0 HA THR A 108 14.651 -2.363 2.028 1.00 14.03 H new ATOM 0 HB THR A 108 14.244 -5.295 1.337 1.00 42.51 H new ATOM 0 HG1 THR A 108 12.863 -2.862 0.482 1.00 3.41 H new ATOM 0 HG21 THR A 108 11.908 -4.876 2.011 1.00 32.34 H new ATOM 0 HG22 THR A 108 13.010 -4.556 3.371 1.00 32.34 H new ATOM 0 HG23 THR A 108 12.321 -3.201 2.446 1.00 32.34 H new ATOM 1796 N TYR A 109 15.249 -3.038 4.261 1.00 4.15 N ATOM 1797 CA TYR A 109 15.732 -3.313 5.604 1.00 12.33 C ATOM 1798 C TYR A 109 14.612 -3.869 6.486 1.00 61.40 C ATOM 1799 O TYR A 109 13.443 -3.543 6.290 1.00 15.33 O ATOM 1800 CB TYR A 109 16.190 -1.968 6.171 1.00 1.42 C ATOM 1801 CG TYR A 109 15.100 -0.894 6.184 1.00 43.24 C ATOM 1802 CD1 TYR A 109 14.009 -1.028 7.018 1.00 2.53 C ATOM 1803 CD2 TYR A 109 15.208 0.208 5.360 1.00 1.42 C ATOM 1804 CE1 TYR A 109 12.983 -0.017 7.030 1.00 5.11 C ATOM 1805 CE2 TYR A 109 14.182 1.219 5.372 1.00 44.00 C ATOM 1806 CZ TYR A 109 13.121 1.056 6.206 1.00 13.53 C ATOM 1807 OH TYR A 109 12.152 2.011 6.217 1.00 30.14 O ATOM 0 H TYR A 109 14.609 -2.246 4.191 1.00 4.15 H new ATOM 0 HA TYR A 109 16.533 -4.052 5.580 1.00 12.33 H new ATOM 0 HB2 TYR A 109 16.550 -2.118 7.189 1.00 1.42 H new ATOM 0 HB3 TYR A 109 17.035 -1.607 5.584 1.00 1.42 H new ATOM 0 HD1 TYR A 109 13.924 -1.891 7.662 1.00 2.53 H new ATOM 0 HD2 TYR A 109 16.061 0.312 4.706 1.00 1.42 H new ATOM 0 HE1 TYR A 109 12.124 -0.109 7.678 1.00 5.11 H new ATOM 0 HE2 TYR A 109 14.254 2.087 4.733 1.00 44.00 H new ATOM 0 HH TYR A 109 11.968 2.280 7.141 1.00 30.14 H new ATOM 1817 N SER A 110 15.010 -4.701 7.438 1.00 51.22 N ATOM 1818 CA SER A 110 14.054 -5.306 8.350 1.00 5.01 C ATOM 1819 C SER A 110 14.691 -5.489 9.729 1.00 4.33 C ATOM 1820 O SER A 110 15.861 -5.854 9.833 1.00 4.33 O ATOM 1821 CB SER A 110 13.556 -6.649 7.814 1.00 75.12 C ATOM 1822 OG SER A 110 13.034 -6.536 6.493 1.00 54.34 O ATOM 0 H SER A 110 15.981 -4.970 7.597 1.00 51.22 H new ATOM 0 HA SER A 110 13.196 -4.640 8.438 1.00 5.01 H new ATOM 0 HB2 SER A 110 14.375 -7.368 7.820 1.00 75.12 H new ATOM 0 HB3 SER A 110 12.784 -7.040 8.477 1.00 75.12 H new ATOM 0 HG SER A 110 12.728 -7.415 6.186 1.00 54.34 H new ATOM 1828 N GLY A 111 13.893 -5.227 10.754 1.00 42.43 N ATOM 1829 CA GLY A 111 14.364 -5.357 12.122 1.00 22.51 C ATOM 1830 C GLY A 111 14.837 -6.785 12.405 1.00 14.01 C ATOM 1831 O GLY A 111 15.538 -7.027 13.386 1.00 20.51 O ATOM 0 H GLY A 111 12.923 -4.925 10.664 1.00 42.43 H new ATOM 0 HA2 GLY A 111 15.182 -4.658 12.297 1.00 22.51 H new ATOM 0 HA3 GLY A 111 13.564 -5.091 12.813 1.00 22.51 H new ATOM 1835 N GLU A 112 14.433 -7.693 11.528 1.00 2.52 N ATOM 1836 CA GLU A 112 14.807 -9.089 11.672 1.00 75.55 C ATOM 1837 C GLU A 112 15.870 -9.464 10.637 1.00 51.40 C ATOM 1838 O GLU A 112 16.000 -8.802 9.608 1.00 74.31 O ATOM 1839 CB GLU A 112 13.582 -9.999 11.553 1.00 62.12 C ATOM 1840 CG GLU A 112 13.883 -11.397 12.098 1.00 54.11 C ATOM 1841 CD GLU A 112 14.242 -11.340 13.584 1.00 61.20 C ATOM 1842 OE1 GLU A 112 15.085 -12.122 14.048 1.00 31.42 O ATOM 1843 OE2 GLU A 112 13.612 -10.443 14.263 1.00 2.45 O ATOM 0 H GLU A 112 13.851 -7.489 10.716 1.00 2.52 H new ATOM 0 HA GLU A 112 15.230 -9.231 12.666 1.00 75.55 H new ATOM 0 HB2 GLU A 112 12.746 -9.563 12.101 1.00 62.12 H new ATOM 0 HB3 GLU A 112 13.277 -10.070 10.509 1.00 62.12 H new ATOM 0 HG2 GLU A 112 13.016 -12.042 11.954 1.00 54.11 H new ATOM 0 HG3 GLU A 112 14.706 -11.840 11.538 1.00 54.11 H new ATOM 1851 N ASN A 113 16.604 -10.523 10.946 1.00 53.50 N ATOM 1852 CA ASN A 113 17.652 -10.992 10.056 1.00 74.52 C ATOM 1853 C ASN A 113 17.105 -12.125 9.184 1.00 14.31 C ATOM 1854 O ASN A 113 17.609 -13.246 9.228 1.00 50.32 O ATOM 1855 CB ASN A 113 18.842 -11.538 10.847 1.00 44.35 C ATOM 1856 CG ASN A 113 20.011 -11.872 9.917 1.00 32.41 C ATOM 1857 OD1 ASN A 113 19.849 -12.467 8.864 1.00 25.21 O ATOM 1858 ND2 ASN A 113 21.193 -11.459 10.364 1.00 41.51 N ATOM 0 H ASN A 113 16.494 -11.069 11.800 1.00 53.50 H new ATOM 0 HA ASN A 113 17.979 -10.150 9.447 1.00 74.52 H new ATOM 0 HB2 ASN A 113 19.160 -10.803 11.587 1.00 44.35 H new ATOM 0 HB3 ASN A 113 18.541 -12.431 11.394 1.00 44.35 H new ATOM 0 HD21 ASN A 113 22.035 -11.635 9.816 1.00 41.51 H new ATOM 0 HD22 ASN A 113 21.258 -10.966 11.255 1.00 41.51 H new ATOM 1865 N THR A 114 16.080 -11.792 8.413 1.00 60.34 N ATOM 1866 CA THR A 114 15.459 -12.767 7.532 1.00 21.21 C ATOM 1867 C THR A 114 15.163 -12.141 6.168 1.00 71.21 C ATOM 1868 O THR A 114 14.922 -10.939 6.072 1.00 51.22 O ATOM 1869 CB THR A 114 14.214 -13.312 8.234 1.00 74.42 C ATOM 1870 OG1 THR A 114 13.656 -12.174 8.886 1.00 65.51 O ATOM 1871 CG2 THR A 114 14.557 -14.267 9.379 1.00 4.01 C ATOM 0 H THR A 114 15.664 -10.861 8.380 1.00 60.34 H new ATOM 0 HA THR A 114 16.129 -13.603 7.332 1.00 21.21 H new ATOM 0 HB THR A 114 13.585 -13.828 7.508 1.00 74.42 H new ATOM 0 HG1 THR A 114 12.843 -12.438 9.365 1.00 65.51 H new ATOM 0 HG21 THR A 114 13.637 -14.624 9.843 1.00 4.01 H new ATOM 0 HG22 THR A 114 15.120 -15.115 8.989 1.00 4.01 H new ATOM 0 HG23 THR A 114 15.158 -13.743 10.122 1.00 4.01 H new