USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 58 GLN : amide:sc= -0.821 K(o=-0.82,f=-6.1!) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot -115:sc= 0.86 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -156:sc= -2.18 (180deg=-3.08!) USER MOD Set 3.2: A 73 ASN : amide:sc= -2.26! K(o=-4.4!,f=-6.2) USER MOD Single : A 22 SER OG : rot -140:sc= -0.326 USER MOD Single : A 31 GLN : amide:sc= 0.874 K(o=0.87,f=-0.6) USER MOD Single : A 32 ASN : amide:sc= -0.012 K(o=-0.012,f=-0.98) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.325 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.66 USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= -1.83! (180deg=-3.02!) USER MOD Single : A 50 SER OG : rot 78:sc= 0.0918 USER MOD Single : A 56 MET CE :methyl -175:sc= 0 (180deg=-0.00859) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.805 (180deg=0.708) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00867 K(o=-0.0087,f=-0.8) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0682 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.604 -0.014 -3.331 1.00 54.54 N ATOM 282 CA LEU A 19 -12.703 -0.708 -2.413 1.00 25.05 C ATOM 283 C LEU A 19 -12.808 -0.115 -1.005 1.00 4.11 C ATOM 284 O LEU A 19 -12.684 1.093 -0.813 1.00 21.04 O ATOM 285 CB LEU A 19 -11.255 -0.642 -2.922 1.00 34.23 C ATOM 286 CG LEU A 19 -11.001 -1.332 -4.274 1.00 51.15 C ATOM 287 CD1 LEU A 19 -9.550 -1.147 -4.717 1.00 33.42 C ATOM 288 CD2 LEU A 19 -11.357 -2.815 -4.198 1.00 1.34 C ATOM 0 HA LEU A 19 -13.001 -1.755 -2.367 1.00 25.05 H new ATOM 0 HB2 LEU A 19 -10.965 0.405 -3.007 1.00 34.23 H new ATOM 0 HB3 LEU A 19 -10.603 -1.094 -2.174 1.00 34.23 H new ATOM 0 HG LEU A 19 -11.644 -0.863 -5.019 1.00 51.15 H new ATOM 0 HD11 LEU A 19 -9.396 -1.644 -5.675 1.00 33.42 H new ATOM 0 HD12 LEU A 19 -9.334 -0.084 -4.821 1.00 33.42 H new ATOM 0 HD13 LEU A 19 -8.884 -1.582 -3.972 1.00 33.42 H new ATOM 0 HD21 LEU A 19 -11.170 -3.284 -5.164 1.00 1.34 H new ATOM 0 HD22 LEU A 19 -10.745 -3.298 -3.436 1.00 1.34 H new ATOM 0 HD23 LEU A 19 -12.410 -2.924 -3.940 1.00 1.34 H new ATOM 300 N LYS A 20 -13.039 -0.967 -0.018 1.00 52.43 N ATOM 301 CA LYS A 20 -13.257 -0.511 1.357 1.00 60.53 C ATOM 302 C LYS A 20 -11.997 -0.703 2.215 1.00 43.11 C ATOM 303 O LYS A 20 -11.643 -1.824 2.588 1.00 50.14 O ATOM 304 CB LYS A 20 -14.464 -1.251 1.954 1.00 1.24 C ATOM 305 CG LYS A 20 -15.746 -1.026 1.146 1.00 71.50 C ATOM 306 CD LYS A 20 -16.925 -1.881 1.617 1.00 33.14 C ATOM 307 CE LYS A 20 -17.461 -1.458 2.986 1.00 74.20 C ATOM 308 NZ LYS A 20 -16.578 -1.878 4.108 1.00 31.11 N ATOM 0 H LYS A 20 -13.081 -1.979 -0.138 1.00 52.43 H new ATOM 0 HA LYS A 20 -13.471 0.558 1.347 1.00 60.53 H new ATOM 0 HB2 LYS A 20 -14.247 -2.318 1.997 1.00 1.24 H new ATOM 0 HB3 LYS A 20 -14.621 -0.916 2.979 1.00 1.24 H new ATOM 0 HG2 LYS A 20 -16.024 0.026 1.207 1.00 71.50 H new ATOM 0 HG3 LYS A 20 -15.547 -1.243 0.097 1.00 71.50 H new ATOM 0 HD2 LYS A 20 -17.728 -1.818 0.883 1.00 33.14 H new ATOM 0 HD3 LYS A 20 -16.615 -2.925 1.661 1.00 33.14 H new ATOM 0 HE2 LYS A 20 -17.576 -0.374 3.007 1.00 74.20 H new ATOM 0 HE3 LYS A 20 -18.453 -1.887 3.131 1.00 74.20 H new ATOM 0 HZ1 LYS A 20 -17.136 -1.945 4.983 1.00 31.11 H new ATOM 0 HZ2 LYS A 20 -16.160 -2.806 3.892 1.00 31.11 H new ATOM 0 HZ3 LYS A 20 -15.820 -1.178 4.234 1.00 31.11 H new ATOM 322 N PHE A 21 -11.322 0.410 2.496 1.00 73.35 N ATOM 323 CA PHE A 21 -10.087 0.424 3.293 1.00 1.33 C ATOM 324 C PHE A 21 -10.284 -0.164 4.702 1.00 73.34 C ATOM 325 O PHE A 21 -11.257 0.138 5.387 1.00 63.33 O ATOM 326 CB PHE A 21 -9.574 1.874 3.387 1.00 73.14 C ATOM 327 CG PHE A 21 -8.505 2.093 4.427 1.00 24.51 C ATOM 328 CD1 PHE A 21 -7.228 1.583 4.253 1.00 51.23 C ATOM 329 CD2 PHE A 21 -8.784 2.808 5.585 1.00 72.10 C ATOM 330 CE1 PHE A 21 -6.256 1.782 5.212 1.00 44.34 C ATOM 331 CE2 PHE A 21 -7.815 3.006 6.545 1.00 63.03 C ATOM 332 CZ PHE A 21 -6.549 2.494 6.358 1.00 1.10 C ATOM 0 H PHE A 21 -11.614 1.334 2.178 1.00 73.35 H new ATOM 0 HA PHE A 21 -9.355 -0.210 2.793 1.00 1.33 H new ATOM 0 HB2 PHE A 21 -9.183 2.171 2.414 1.00 73.14 H new ATOM 0 HB3 PHE A 21 -10.416 2.530 3.606 1.00 73.14 H new ATOM 0 HD1 PHE A 21 -6.992 1.025 3.359 1.00 51.23 H new ATOM 0 HD2 PHE A 21 -9.773 3.214 5.735 1.00 72.10 H new ATOM 0 HE1 PHE A 21 -5.264 1.380 5.066 1.00 44.34 H new ATOM 0 HE2 PHE A 21 -8.047 3.561 7.442 1.00 63.03 H new ATOM 0 HZ PHE A 21 -5.787 2.650 7.107 1.00 1.10 H new ATOM 342 N SER A 22 -9.351 -1.004 5.135 1.00 4.35 N ATOM 343 CA SER A 22 -9.393 -1.549 6.501 1.00 50.21 C ATOM 344 C SER A 22 -8.224 -1.033 7.349 1.00 53.54 C ATOM 345 O SER A 22 -8.423 -0.343 8.349 1.00 55.21 O ATOM 346 CB SER A 22 -9.394 -3.085 6.480 1.00 73.25 C ATOM 347 OG SER A 22 -10.541 -3.588 5.813 1.00 63.51 O ATOM 0 H SER A 22 -8.562 -1.324 4.573 1.00 4.35 H new ATOM 0 HA SER A 22 -10.321 -1.205 6.958 1.00 50.21 H new ATOM 0 HB2 SER A 22 -8.494 -3.445 5.982 1.00 73.25 H new ATOM 0 HB3 SER A 22 -9.368 -3.465 7.501 1.00 73.25 H new ATOM 0 HG SER A 22 -10.879 -4.374 6.291 1.00 63.51 H new ATOM 353 N ALA A 23 -7.001 -1.358 6.945 1.00 22.14 N ATOM 354 CA ALA A 23 -5.810 -0.950 7.698 1.00 41.12 C ATOM 355 C ALA A 23 -4.569 -0.846 6.803 1.00 55.34 C ATOM 356 O ALA A 23 -4.547 -1.348 5.680 1.00 62.42 O ATOM 357 CB ALA A 23 -5.552 -1.928 8.839 1.00 55.54 C ATOM 0 H ALA A 23 -6.804 -1.901 6.104 1.00 22.14 H new ATOM 0 HA ALA A 23 -6.004 0.043 8.104 1.00 41.12 H new ATOM 0 HB1 ALA A 23 -4.666 -1.616 9.392 1.00 55.54 H new ATOM 0 HB2 ALA A 23 -6.412 -1.941 9.509 1.00 55.54 H new ATOM 0 HB3 ALA A 23 -5.394 -2.927 8.433 1.00 55.54 H new ATOM 363 N LEU A 24 -3.543 -0.164 7.300 1.00 12.32 N ATOM 364 CA LEU A 24 -2.246 -0.134 6.632 1.00 33.41 C ATOM 365 C LEU A 24 -1.532 -1.475 6.849 1.00 41.51 C ATOM 366 O LEU A 24 -1.153 -1.812 7.970 1.00 12.24 O ATOM 367 CB LEU A 24 -1.398 1.032 7.164 1.00 50.41 C ATOM 368 CG LEU A 24 -0.013 1.203 6.513 1.00 12.23 C ATOM 369 CD1 LEU A 24 -0.139 1.401 5.006 1.00 41.13 C ATOM 370 CD2 LEU A 24 0.739 2.370 7.147 1.00 50.20 C ATOM 0 H LEU A 24 -3.584 0.376 8.164 1.00 12.32 H new ATOM 0 HA LEU A 24 -2.391 0.019 5.563 1.00 33.41 H new ATOM 0 HB2 LEU A 24 -1.959 1.957 7.028 1.00 50.41 H new ATOM 0 HB3 LEU A 24 -1.260 0.897 8.237 1.00 50.41 H new ATOM 0 HG LEU A 24 0.557 0.290 6.688 1.00 12.23 H new ATOM 0 HD11 LEU A 24 0.853 1.519 4.570 1.00 41.13 H new ATOM 0 HD12 LEU A 24 -0.628 0.533 4.565 1.00 41.13 H new ATOM 0 HD13 LEU A 24 -0.732 2.293 4.805 1.00 41.13 H new ATOM 0 HD21 LEU A 24 1.715 2.474 6.673 1.00 50.20 H new ATOM 0 HD22 LEU A 24 0.169 3.289 7.009 1.00 50.20 H new ATOM 0 HD23 LEU A 24 0.871 2.182 8.212 1.00 50.20 H new ATOM 382 N ARG A 25 -1.375 -2.247 5.779 1.00 2.12 N ATOM 383 CA ARG A 25 -0.851 -3.611 5.889 1.00 51.44 C ATOM 384 C ARG A 25 0.592 -3.623 6.415 1.00 60.32 C ATOM 385 O ARG A 25 0.907 -4.353 7.357 1.00 3.53 O ATOM 386 CB ARG A 25 -0.922 -4.320 4.531 1.00 4.40 C ATOM 387 CG ARG A 25 -0.716 -5.831 4.608 1.00 71.31 C ATOM 388 CD ARG A 25 -1.812 -6.501 5.430 1.00 41.41 C ATOM 389 NE ARG A 25 -1.708 -7.956 5.423 1.00 12.05 N ATOM 390 CZ ARG A 25 -2.721 -8.760 5.596 1.00 54.22 C ATOM 391 NH1 ARG A 25 -3.928 -8.295 5.652 1.00 40.11 N ATOM 392 NH2 ARG A 25 -2.528 -10.034 5.656 1.00 3.30 N ATOM 0 H ARG A 25 -1.601 -1.957 4.828 1.00 2.12 H new ATOM 0 HA ARG A 25 -1.473 -4.146 6.607 1.00 51.44 H new ATOM 0 HB2 ARG A 25 -1.893 -4.119 4.078 1.00 4.40 H new ATOM 0 HB3 ARG A 25 -0.167 -3.894 3.870 1.00 4.40 H new ATOM 0 HG2 ARG A 25 -0.706 -6.250 3.602 1.00 71.31 H new ATOM 0 HG3 ARG A 25 0.256 -6.045 5.052 1.00 71.31 H new ATOM 0 HD2 ARG A 25 -1.761 -6.142 6.458 1.00 41.41 H new ATOM 0 HD3 ARG A 25 -2.786 -6.208 5.038 1.00 41.41 H new ATOM 0 HE ARG A 25 -0.788 -8.370 5.274 1.00 12.05 H new ATOM 0 HH11 ARG A 25 -4.093 -7.293 5.561 1.00 40.11 H new ATOM 0 HH12 ARG A 25 -4.714 -8.931 5.787 1.00 40.11 H new ATOM 0 HH21 ARG A 25 -1.585 -10.412 5.568 1.00 3.30 H new ATOM 0 HH22 ARG A 25 -3.319 -10.664 5.791 1.00 3.30 H new ATOM 406 N ARG A 26 1.460 -2.813 5.807 1.00 32.10 N ATOM 407 CA ARG A 26 2.874 -2.759 6.206 1.00 33.34 C ATOM 408 C ARG A 26 3.667 -1.700 5.423 1.00 74.35 C ATOM 409 O ARG A 26 3.384 -1.424 4.260 1.00 2.41 O ATOM 410 CB ARG A 26 3.532 -4.136 6.005 1.00 42.23 C ATOM 411 CG ARG A 26 5.031 -4.153 6.288 1.00 45.53 C ATOM 412 CD ARG A 26 5.635 -5.543 6.141 1.00 44.53 C ATOM 413 NE ARG A 26 7.046 -5.564 6.523 1.00 41.11 N ATOM 414 CZ ARG A 26 7.764 -6.647 6.638 1.00 41.42 C ATOM 415 NH1 ARG A 26 7.258 -7.807 6.378 1.00 21.00 N ATOM 416 NH2 ARG A 26 8.994 -6.568 7.019 1.00 23.14 N ATOM 0 H ARG A 26 1.214 -2.187 5.040 1.00 32.10 H new ATOM 0 HA ARG A 26 2.895 -2.479 7.259 1.00 33.34 H new ATOM 0 HB2 ARG A 26 3.041 -4.860 6.655 1.00 42.23 H new ATOM 0 HB3 ARG A 26 3.362 -4.462 4.979 1.00 42.23 H new ATOM 0 HG2 ARG A 26 5.534 -3.467 5.606 1.00 45.53 H new ATOM 0 HG3 ARG A 26 5.211 -3.787 7.299 1.00 45.53 H new ATOM 0 HD2 ARG A 26 5.080 -6.248 6.760 1.00 44.53 H new ATOM 0 HD3 ARG A 26 5.533 -5.877 5.108 1.00 44.53 H new ATOM 0 HE ARG A 26 7.500 -4.671 6.713 1.00 41.11 H new ATOM 0 HH11 ARG A 26 6.286 -7.884 6.079 1.00 21.00 H new ATOM 0 HH12 ARG A 26 7.831 -8.646 6.472 1.00 21.00 H new ATOM 0 HH21 ARG A 26 9.405 -5.659 7.230 1.00 23.14 H new ATOM 0 HH22 ARG A 26 9.555 -7.415 7.109 1.00 23.14 H new ATOM 430 N GLU A 27 4.663 -1.108 6.085 1.00 3.33 N ATOM 431 CA GLU A 27 5.625 -0.221 5.422 1.00 32.40 C ATOM 432 C GLU A 27 6.979 -0.924 5.262 1.00 13.03 C ATOM 433 O GLU A 27 7.737 -1.041 6.225 1.00 41.51 O ATOM 434 CB GLU A 27 5.842 1.069 6.231 1.00 30.13 C ATOM 435 CG GLU A 27 4.591 1.905 6.466 1.00 33.44 C ATOM 436 CD GLU A 27 4.900 3.162 7.267 1.00 73.32 C ATOM 437 OE1 GLU A 27 5.494 4.107 6.697 1.00 55.11 O ATOM 438 OE2 GLU A 27 4.597 3.198 8.477 1.00 0.40 O ATOM 0 H GLU A 27 4.826 -1.227 7.085 1.00 3.33 H new ATOM 0 HA GLU A 27 5.213 0.030 4.444 1.00 32.40 H new ATOM 0 HB2 GLU A 27 6.270 0.805 7.198 1.00 30.13 H new ATOM 0 HB3 GLU A 27 6.579 1.684 5.714 1.00 30.13 H new ATOM 0 HG2 GLU A 27 4.152 2.182 5.507 1.00 33.44 H new ATOM 0 HG3 GLU A 27 3.848 1.309 6.996 1.00 33.44 H new ATOM 445 N VAL A 28 7.286 -1.406 4.064 1.00 52.23 N ATOM 446 CA VAL A 28 8.607 -1.985 3.812 1.00 45.43 C ATOM 447 C VAL A 28 9.631 -0.873 3.530 1.00 13.30 C ATOM 448 O VAL A 28 9.538 -0.147 2.534 1.00 21.25 O ATOM 449 CB VAL A 28 8.587 -3.024 2.659 1.00 52.10 C ATOM 450 CG1 VAL A 28 7.741 -4.236 3.048 1.00 23.31 C ATOM 451 CG2 VAL A 28 8.074 -2.410 1.362 1.00 63.31 C ATOM 0 H VAL A 28 6.654 -1.410 3.263 1.00 52.23 H new ATOM 0 HA VAL A 28 8.905 -2.522 4.713 1.00 45.43 H new ATOM 0 HB VAL A 28 9.613 -3.351 2.488 1.00 52.10 H new ATOM 0 HG11 VAL A 28 7.737 -4.955 2.229 1.00 23.31 H new ATOM 0 HG12 VAL A 28 8.162 -4.703 3.939 1.00 23.31 H new ATOM 0 HG13 VAL A 28 6.720 -3.916 3.254 1.00 23.31 H new ATOM 0 HG21 VAL A 28 8.074 -3.166 0.577 1.00 63.31 H new ATOM 0 HG22 VAL A 28 7.059 -2.041 1.511 1.00 63.31 H new ATOM 0 HG23 VAL A 28 8.722 -1.583 1.070 1.00 63.31 H new ATOM 461 N ARG A 29 10.585 -0.713 4.438 1.00 43.40 N ATOM 462 CA ARG A 29 11.558 0.378 4.362 1.00 12.32 C ATOM 463 C ARG A 29 12.901 -0.129 3.806 1.00 52.01 C ATOM 464 O ARG A 29 13.202 -1.322 3.885 1.00 2.33 O ATOM 465 CB ARG A 29 11.731 1.007 5.756 1.00 64.24 C ATOM 466 CG ARG A 29 10.407 1.217 6.499 1.00 41.40 C ATOM 467 CD ARG A 29 10.585 1.986 7.812 1.00 55.42 C ATOM 468 NE ARG A 29 9.386 1.944 8.655 1.00 33.10 N ATOM 469 CZ ARG A 29 8.283 2.611 8.427 1.00 21.20 C ATOM 470 NH1 ARG A 29 8.173 3.380 7.391 1.00 22.15 N ATOM 471 NH2 ARG A 29 7.291 2.510 9.251 1.00 11.21 N ATOM 0 H ARG A 29 10.709 -1.328 5.242 1.00 43.40 H new ATOM 0 HA ARG A 29 11.191 1.142 3.677 1.00 12.32 H new ATOM 0 HB2 ARG A 29 12.378 0.368 6.357 1.00 64.24 H new ATOM 0 HB3 ARG A 29 12.237 1.967 5.653 1.00 64.24 H new ATOM 0 HG2 ARG A 29 9.715 1.760 5.855 1.00 41.40 H new ATOM 0 HG3 ARG A 29 9.954 0.248 6.708 1.00 41.40 H new ATOM 0 HD2 ARG A 29 11.427 1.567 8.363 1.00 55.42 H new ATOM 0 HD3 ARG A 29 10.833 3.024 7.590 1.00 55.42 H new ATOM 0 HE ARG A 29 9.414 1.349 9.483 1.00 33.10 H new ATOM 0 HH11 ARG A 29 8.952 3.472 6.739 1.00 22.15 H new ATOM 0 HH12 ARG A 29 7.307 3.893 7.227 1.00 22.15 H new ATOM 0 HH21 ARG A 29 7.370 1.913 10.074 1.00 11.21 H new ATOM 0 HH22 ARG A 29 6.429 3.028 9.078 1.00 11.21 H new ATOM 485 N ILE A 30 13.707 0.772 3.246 1.00 3.45 N ATOM 486 CA ILE A 30 14.965 0.383 2.592 1.00 5.21 C ATOM 487 C ILE A 30 15.991 -0.153 3.604 1.00 53.45 C ATOM 488 O ILE A 30 16.540 0.594 4.412 1.00 21.13 O ATOM 489 CB ILE A 30 15.582 1.569 1.804 1.00 24.13 C ATOM 490 CG1 ILE A 30 14.592 2.060 0.732 1.00 2.33 C ATOM 491 CG2 ILE A 30 16.917 1.163 1.168 1.00 43.12 C ATOM 492 CD1 ILE A 30 15.082 3.252 -0.065 1.00 53.13 C ATOM 0 H ILE A 30 13.516 1.774 3.230 1.00 3.45 H new ATOM 0 HA ILE A 30 14.719 -0.416 1.893 1.00 5.21 H new ATOM 0 HB ILE A 30 15.778 2.386 2.498 1.00 24.13 H new ATOM 0 HG12 ILE A 30 14.381 1.240 0.046 1.00 2.33 H new ATOM 0 HG13 ILE A 30 13.651 2.322 1.215 1.00 2.33 H new ATOM 0 HG21 ILE A 30 17.332 2.010 0.621 1.00 43.12 H new ATOM 0 HG22 ILE A 30 17.614 0.859 1.949 1.00 43.12 H new ATOM 0 HG23 ILE A 30 16.755 0.332 0.482 1.00 43.12 H new ATOM 0 HD11 ILE A 30 14.327 3.535 -0.798 1.00 53.13 H new ATOM 0 HD12 ILE A 30 15.266 4.089 0.608 1.00 53.13 H new ATOM 0 HD13 ILE A 30 16.007 2.990 -0.579 1.00 53.13 H new ATOM 504 N GLN A 31 16.229 -1.459 3.567 1.00 61.41 N ATOM 505 CA GLN A 31 17.199 -2.093 4.461 1.00 3.44 C ATOM 506 C GLN A 31 18.606 -2.091 3.836 1.00 54.42 C ATOM 507 O GLN A 31 18.821 -2.668 2.769 1.00 71.41 O ATOM 508 CB GLN A 31 16.757 -3.528 4.775 1.00 25.02 C ATOM 509 CG GLN A 31 17.638 -4.250 5.794 1.00 12.05 C ATOM 510 CD GLN A 31 17.158 -5.665 6.081 1.00 43.05 C ATOM 511 OE1 GLN A 31 16.573 -6.320 5.224 1.00 13.35 O ATOM 512 NE2 GLN A 31 17.401 -6.146 7.283 1.00 3.53 N ATOM 0 H GLN A 31 15.764 -2.103 2.927 1.00 61.41 H new ATOM 0 HA GLN A 31 17.241 -1.521 5.388 1.00 3.44 H new ATOM 0 HB2 GLN A 31 15.733 -3.507 5.148 1.00 25.02 H new ATOM 0 HB3 GLN A 31 16.747 -4.103 3.849 1.00 25.02 H new ATOM 0 HG2 GLN A 31 18.662 -4.286 5.423 1.00 12.05 H new ATOM 0 HG3 GLN A 31 17.655 -3.680 6.723 1.00 12.05 H new ATOM 0 HE21 GLN A 31 17.890 -5.574 7.972 1.00 3.53 H new ATOM 0 HE22 GLN A 31 17.100 -7.090 7.525 1.00 3.53 H new ATOM 521 N ASN A 32 19.553 -1.443 4.512 1.00 24.15 N ATOM 522 CA ASN A 32 20.934 -1.335 4.020 1.00 35.41 C ATOM 523 C ASN A 32 21.657 -2.691 4.017 1.00 74.20 C ATOM 524 O ASN A 32 21.279 -3.612 4.744 1.00 3.35 O ATOM 525 CB ASN A 32 21.722 -0.345 4.888 1.00 24.05 C ATOM 526 CG ASN A 32 21.190 1.073 4.789 1.00 62.01 C ATOM 527 OD1 ASN A 32 20.683 1.487 3.754 1.00 55.22 O ATOM 528 ND2 ASN A 32 21.303 1.831 5.863 1.00 50.01 N ATOM 0 H ASN A 32 19.392 -0.981 5.407 1.00 24.15 H new ATOM 0 HA ASN A 32 20.883 -0.979 2.991 1.00 35.41 H new ATOM 0 HB2 ASN A 32 21.686 -0.671 5.928 1.00 24.05 H new ATOM 0 HB3 ASN A 32 22.769 -0.358 4.587 1.00 24.05 H new ATOM 0 HD21 ASN A 32 20.963 2.792 5.847 1.00 50.01 H new ATOM 0 HD22 ASN A 32 21.730 1.456 6.710 1.00 50.01 H new ATOM 535 N GLU A 33 22.708 -2.800 3.204 1.00 61.05 N ATOM 536 CA GLU A 33 23.567 -3.994 3.190 1.00 53.10 C ATOM 537 C GLU A 33 24.206 -4.248 4.569 1.00 62.13 C ATOM 538 O GLU A 33 24.688 -5.344 4.849 1.00 42.41 O ATOM 539 CB GLU A 33 24.662 -3.844 2.121 1.00 23.52 C ATOM 540 CG GLU A 33 24.201 -4.181 0.702 1.00 14.25 C ATOM 541 CD GLU A 33 22.908 -3.486 0.294 1.00 54.15 C ATOM 542 OE1 GLU A 33 22.913 -2.249 0.149 1.00 24.13 O ATOM 543 OE2 GLU A 33 21.887 -4.183 0.102 1.00 72.24 O ATOM 0 H GLU A 33 22.989 -2.076 2.543 1.00 61.05 H new ATOM 0 HA GLU A 33 22.941 -4.853 2.949 1.00 53.10 H new ATOM 0 HB2 GLU A 33 25.032 -2.819 2.137 1.00 23.52 H new ATOM 0 HB3 GLU A 33 25.500 -4.490 2.382 1.00 23.52 H new ATOM 0 HG2 GLU A 33 24.988 -3.906 -0.001 1.00 14.25 H new ATOM 0 HG3 GLU A 33 24.064 -5.259 0.621 1.00 14.25 H new ATOM 550 N ASP A 34 24.200 -3.222 5.422 1.00 1.44 N ATOM 551 CA ASP A 34 24.707 -3.337 6.796 1.00 12.24 C ATOM 552 C ASP A 34 23.748 -4.141 7.696 1.00 21.11 C ATOM 553 O ASP A 34 24.047 -4.396 8.865 1.00 40.13 O ATOM 554 CB ASP A 34 24.905 -1.938 7.388 1.00 64.11 C ATOM 555 CG ASP A 34 25.769 -1.053 6.509 1.00 50.24 C ATOM 556 OD1 ASP A 34 27.008 -1.064 6.677 1.00 3.53 O ATOM 557 OD2 ASP A 34 25.212 -0.343 5.643 1.00 33.31 O ATOM 0 H ASP A 34 23.847 -2.295 5.186 1.00 1.44 H new ATOM 0 HA ASP A 34 25.657 -3.870 6.756 1.00 12.24 H new ATOM 0 HB2 ASP A 34 23.933 -1.466 7.530 1.00 64.11 H new ATOM 0 HB3 ASP A 34 25.364 -2.025 8.373 1.00 64.11 H new ATOM 562 N GLY A 35 22.588 -4.520 7.155 1.00 22.23 N ATOM 563 CA GLY A 35 21.604 -5.281 7.923 1.00 22.14 C ATOM 564 C GLY A 35 20.546 -4.401 8.583 1.00 2.41 C ATOM 565 O GLY A 35 19.412 -4.833 8.802 1.00 3.21 O ATOM 0 H GLY A 35 22.310 -4.314 6.196 1.00 22.23 H new ATOM 0 HA2 GLY A 35 21.113 -5.997 7.264 1.00 22.14 H new ATOM 0 HA3 GLY A 35 22.119 -5.857 8.692 1.00 22.14 H new ATOM 569 N SER A 36 20.915 -3.164 8.902 1.00 70.03 N ATOM 570 CA SER A 36 19.995 -2.229 9.561 1.00 25.21 C ATOM 571 C SER A 36 19.056 -1.548 8.558 1.00 43.32 C ATOM 572 O SER A 36 19.390 -1.388 7.380 1.00 71.11 O ATOM 573 CB SER A 36 20.777 -1.157 10.329 1.00 11.01 C ATOM 574 OG SER A 36 21.675 -1.739 11.261 1.00 24.12 O ATOM 0 H SER A 36 21.842 -2.782 8.717 1.00 70.03 H new ATOM 0 HA SER A 36 19.390 -2.813 10.255 1.00 25.21 H new ATOM 0 HB2 SER A 36 21.332 -0.536 9.626 1.00 11.01 H new ATOM 0 HB3 SER A 36 20.081 -0.502 10.853 1.00 11.01 H new ATOM 0 HG SER A 36 22.160 -1.031 11.734 1.00 24.12 H new ATOM 580 N VAL A 37 17.887 -1.136 9.037 1.00 14.31 N ATOM 581 CA VAL A 37 16.903 -0.446 8.198 1.00 71.14 C ATOM 582 C VAL A 37 17.185 1.065 8.129 1.00 12.30 C ATOM 583 O VAL A 37 17.431 1.715 9.148 1.00 54.13 O ATOM 584 CB VAL A 37 15.466 -0.686 8.716 1.00 62.23 C ATOM 585 CG1 VAL A 37 14.439 0.012 7.824 1.00 33.34 C ATOM 586 CG2 VAL A 37 15.186 -2.182 8.804 1.00 4.00 C ATOM 0 H VAL A 37 17.593 -1.267 10.005 1.00 14.31 H new ATOM 0 HA VAL A 37 16.990 -0.861 7.194 1.00 71.14 H new ATOM 0 HB VAL A 37 15.380 -0.257 9.714 1.00 62.23 H new ATOM 0 HG11 VAL A 37 13.437 -0.173 8.210 1.00 33.34 H new ATOM 0 HG12 VAL A 37 14.633 1.085 7.816 1.00 33.34 H new ATOM 0 HG13 VAL A 37 14.514 -0.378 6.809 1.00 33.34 H new ATOM 0 HG21 VAL A 37 14.172 -2.341 9.170 1.00 4.00 H new ATOM 0 HG22 VAL A 37 15.290 -2.630 7.816 1.00 4.00 H new ATOM 0 HG23 VAL A 37 15.896 -2.645 9.489 1.00 4.00 H new ATOM 596 N SER A 38 17.137 1.611 6.917 1.00 70.31 N ATOM 597 CA SER A 38 17.447 3.028 6.682 1.00 2.34 C ATOM 598 C SER A 38 16.238 3.936 6.936 1.00 64.50 C ATOM 599 O SER A 38 15.100 3.471 7.060 1.00 12.11 O ATOM 600 CB SER A 38 17.936 3.236 5.239 1.00 33.32 C ATOM 601 OG SER A 38 18.243 4.598 4.989 1.00 74.04 O ATOM 0 H SER A 38 16.885 1.094 6.074 1.00 70.31 H new ATOM 0 HA SER A 38 18.232 3.301 7.388 1.00 2.34 H new ATOM 0 HB2 SER A 38 18.820 2.623 5.061 1.00 33.32 H new ATOM 0 HB3 SER A 38 17.169 2.900 4.541 1.00 33.32 H new ATOM 0 HG SER A 38 18.553 4.699 4.065 1.00 74.04 H new ATOM 607 N ASP A 39 16.497 5.237 7.002 1.00 12.32 N ATOM 608 CA ASP A 39 15.445 6.243 7.171 1.00 0.43 C ATOM 609 C ASP A 39 14.568 6.330 5.911 1.00 4.14 C ATOM 610 O ASP A 39 13.399 6.723 5.969 1.00 32.10 O ATOM 611 CB ASP A 39 16.079 7.606 7.463 1.00 64.21 C ATOM 612 CG ASP A 39 17.086 7.533 8.596 1.00 31.32 C ATOM 613 OD1 ASP A 39 18.261 7.195 8.331 1.00 53.41 O ATOM 614 OD2 ASP A 39 16.708 7.806 9.754 1.00 14.35 O ATOM 0 H ASP A 39 17.437 5.627 6.941 1.00 12.32 H new ATOM 0 HA ASP A 39 14.813 5.950 8.009 1.00 0.43 H new ATOM 0 HB2 ASP A 39 16.571 7.977 6.564 1.00 64.21 H new ATOM 0 HB3 ASP A 39 15.298 8.322 7.718 1.00 64.21 H new ATOM 619 N GLU A 40 15.144 5.945 4.776 1.00 21.44 N ATOM 620 CA GLU A 40 14.433 5.944 3.497 1.00 3.20 C ATOM 621 C GLU A 40 13.465 4.752 3.387 1.00 42.21 C ATOM 622 O GLU A 40 13.834 3.605 3.653 1.00 45.32 O ATOM 623 CB GLU A 40 15.439 5.912 2.340 1.00 33.44 C ATOM 624 CG GLU A 40 16.380 7.111 2.300 1.00 61.51 C ATOM 625 CD GLU A 40 17.396 7.013 1.175 1.00 52.32 C ATOM 626 OE1 GLU A 40 17.061 7.373 0.026 1.00 32.22 O ATOM 627 OE2 GLU A 40 18.535 6.569 1.432 1.00 41.53 O ATOM 0 H GLU A 40 16.111 5.626 4.714 1.00 21.44 H new ATOM 0 HA GLU A 40 13.842 6.858 3.442 1.00 3.20 H new ATOM 0 HB2 GLU A 40 16.032 5.000 2.414 1.00 33.44 H new ATOM 0 HB3 GLU A 40 14.892 5.861 1.398 1.00 33.44 H new ATOM 0 HG2 GLU A 40 15.796 8.024 2.180 1.00 61.51 H new ATOM 0 HG3 GLU A 40 16.904 7.190 3.253 1.00 61.51 H new ATOM 634 N ILE A 41 12.227 5.030 2.989 1.00 61.20 N ATOM 635 CA ILE A 41 11.207 3.989 2.831 1.00 44.43 C ATOM 636 C ILE A 41 11.147 3.502 1.376 1.00 21.22 C ATOM 637 O ILE A 41 11.413 4.264 0.443 1.00 33.21 O ATOM 638 CB ILE A 41 9.806 4.499 3.269 1.00 54.21 C ATOM 639 CG1 ILE A 41 9.867 5.042 4.708 1.00 2.42 C ATOM 640 CG2 ILE A 41 8.755 3.388 3.156 1.00 44.24 C ATOM 641 CD1 ILE A 41 8.552 5.592 5.214 1.00 52.25 C ATOM 0 H ILE A 41 11.901 5.971 2.768 1.00 61.20 H new ATOM 0 HA ILE A 41 11.490 3.156 3.475 1.00 44.43 H new ATOM 0 HB ILE A 41 9.511 5.307 2.600 1.00 54.21 H new ATOM 0 HG12 ILE A 41 10.195 4.243 5.373 1.00 2.42 H new ATOM 0 HG13 ILE A 41 10.621 5.828 4.757 1.00 2.42 H new ATOM 0 HG21 ILE A 41 7.784 3.772 3.469 1.00 44.24 H new ATOM 0 HG22 ILE A 41 8.695 3.048 2.122 1.00 44.24 H new ATOM 0 HG23 ILE A 41 9.038 2.553 3.797 1.00 44.24 H new ATOM 0 HD11 ILE A 41 8.678 5.955 6.234 1.00 52.25 H new ATOM 0 HD12 ILE A 41 8.231 6.414 4.574 1.00 52.25 H new ATOM 0 HD13 ILE A 41 7.798 4.805 5.199 1.00 52.25 H new ATOM 653 N LYS A 42 10.798 2.230 1.185 1.00 53.21 N ATOM 654 CA LYS A 42 10.754 1.632 -0.152 1.00 73.02 C ATOM 655 C LYS A 42 9.344 1.737 -0.764 1.00 72.31 C ATOM 656 O LYS A 42 9.166 2.318 -1.839 1.00 52.04 O ATOM 657 CB LYS A 42 11.217 0.173 -0.077 1.00 41.34 C ATOM 658 CG LYS A 42 11.591 -0.435 -1.425 1.00 24.33 C ATOM 659 CD LYS A 42 12.494 -1.649 -1.237 1.00 75.31 C ATOM 660 CE LYS A 42 12.931 -2.260 -2.562 1.00 31.04 C ATOM 661 NZ LYS A 42 13.912 -3.363 -2.364 1.00 3.53 N ATOM 0 H LYS A 42 10.541 1.592 1.939 1.00 53.21 H new ATOM 0 HA LYS A 42 11.430 2.183 -0.806 1.00 73.02 H new ATOM 0 HB2 LYS A 42 12.078 0.111 0.588 1.00 41.34 H new ATOM 0 HB3 LYS A 42 10.424 -0.425 0.371 1.00 41.34 H new ATOM 0 HG2 LYS A 42 10.688 -0.727 -1.961 1.00 24.33 H new ATOM 0 HG3 LYS A 42 12.098 0.310 -2.038 1.00 24.33 H new ATOM 0 HD2 LYS A 42 13.376 -1.357 -0.666 1.00 75.31 H new ATOM 0 HD3 LYS A 42 11.968 -2.401 -0.649 1.00 75.31 H new ATOM 0 HE2 LYS A 42 12.058 -2.640 -3.093 1.00 31.04 H new ATOM 0 HE3 LYS A 42 13.374 -1.487 -3.190 1.00 31.04 H new ATOM 0 HZ1 LYS A 42 14.186 -3.754 -3.288 1.00 3.53 H new ATOM 0 HZ2 LYS A 42 14.756 -2.995 -1.880 1.00 3.53 H new ATOM 0 HZ3 LYS A 42 13.480 -4.112 -1.786 1.00 3.53 H new ATOM 675 N GLU A 43 8.347 1.191 -0.069 1.00 14.34 N ATOM 676 CA GLU A 43 6.947 1.283 -0.510 1.00 34.51 C ATOM 677 C GLU A 43 5.976 0.937 0.638 1.00 45.31 C ATOM 678 O GLU A 43 6.393 0.449 1.691 1.00 11.34 O ATOM 679 CB GLU A 43 6.706 0.378 -1.737 1.00 23.04 C ATOM 680 CG GLU A 43 6.995 -1.096 -1.491 1.00 53.31 C ATOM 681 CD GLU A 43 6.982 -1.924 -2.767 1.00 32.14 C ATOM 682 OE1 GLU A 43 5.916 -2.027 -3.404 1.00 72.40 O ATOM 683 OE2 GLU A 43 8.041 -2.482 -3.134 1.00 14.24 O ATOM 0 H GLU A 43 8.478 0.679 0.803 1.00 14.34 H new ATOM 0 HA GLU A 43 6.750 2.314 -0.804 1.00 34.51 H new ATOM 0 HB2 GLU A 43 5.669 0.485 -2.056 1.00 23.04 H new ATOM 0 HB3 GLU A 43 7.330 0.727 -2.560 1.00 23.04 H new ATOM 0 HG2 GLU A 43 7.968 -1.195 -1.010 1.00 53.31 H new ATOM 0 HG3 GLU A 43 6.255 -1.495 -0.798 1.00 53.31 H new ATOM 690 N ARG A 44 4.684 1.209 0.433 1.00 11.01 N ATOM 691 CA ARG A 44 3.669 1.046 1.491 1.00 72.11 C ATOM 692 C ARG A 44 2.470 0.199 1.033 1.00 75.44 C ATOM 693 O ARG A 44 1.818 0.506 0.038 1.00 13.04 O ATOM 694 CB ARG A 44 3.190 2.427 1.964 1.00 54.42 C ATOM 695 CG ARG A 44 4.228 3.181 2.788 1.00 24.43 C ATOM 696 CD ARG A 44 3.775 4.600 3.121 1.00 41.10 C ATOM 697 NE ARG A 44 4.506 5.145 4.263 1.00 11.30 N ATOM 698 CZ ARG A 44 5.014 6.345 4.324 1.00 20.10 C ATOM 699 NH1 ARG A 44 4.968 7.150 3.307 1.00 2.05 N ATOM 700 NH2 ARG A 44 5.591 6.731 5.412 1.00 75.11 N ATOM 0 H ARG A 44 4.311 1.544 -0.455 1.00 11.01 H new ATOM 0 HA ARG A 44 4.140 0.511 2.316 1.00 72.11 H new ATOM 0 HB2 ARG A 44 2.922 3.027 1.095 1.00 54.42 H new ATOM 0 HB3 ARG A 44 2.285 2.305 2.558 1.00 54.42 H new ATOM 0 HG2 ARG A 44 4.422 2.636 3.712 1.00 24.43 H new ATOM 0 HG3 ARG A 44 5.168 3.221 2.238 1.00 24.43 H new ATOM 0 HD2 ARG A 44 3.923 5.243 2.253 1.00 41.10 H new ATOM 0 HD3 ARG A 44 2.707 4.600 3.339 1.00 41.10 H new ATOM 0 HE ARG A 44 4.629 4.540 5.075 1.00 11.30 H new ATOM 0 HH11 ARG A 44 4.528 6.849 2.437 1.00 2.05 H new ATOM 0 HH12 ARG A 44 5.372 8.084 3.377 1.00 2.05 H new ATOM 0 HH21 ARG A 44 5.646 6.100 6.212 1.00 75.11 H new ATOM 0 HH22 ARG A 44 5.992 7.667 5.472 1.00 75.11 H new ATOM 714 N THR A 45 2.171 -0.853 1.796 1.00 24.14 N ATOM 715 CA THR A 45 1.088 -1.793 1.467 1.00 53.20 C ATOM 716 C THR A 45 -0.196 -1.506 2.276 1.00 52.31 C ATOM 717 O THR A 45 -0.149 -1.328 3.493 1.00 51.43 O ATOM 718 CB THR A 45 1.533 -3.254 1.735 1.00 20.34 C ATOM 719 OG1 THR A 45 2.775 -3.522 1.068 1.00 71.22 O ATOM 720 CG2 THR A 45 0.478 -4.251 1.255 1.00 14.11 C ATOM 0 H THR A 45 2.668 -1.081 2.657 1.00 24.14 H new ATOM 0 HA THR A 45 0.867 -1.658 0.408 1.00 53.20 H new ATOM 0 HB THR A 45 1.659 -3.371 2.811 1.00 20.34 H new ATOM 0 HG1 THR A 45 3.048 -4.446 1.245 1.00 71.22 H new ATOM 0 HG21 THR A 45 0.819 -5.267 1.457 1.00 14.11 H new ATOM 0 HG22 THR A 45 -0.459 -4.071 1.782 1.00 14.11 H new ATOM 0 HG23 THR A 45 0.321 -4.127 0.184 1.00 14.11 H new ATOM 728 N TYR A 46 -1.340 -1.486 1.587 1.00 21.20 N ATOM 729 CA TYR A 46 -2.650 -1.205 2.208 1.00 30.24 C ATOM 730 C TYR A 46 -3.615 -2.407 2.115 1.00 44.44 C ATOM 731 O TYR A 46 -3.543 -3.205 1.179 1.00 15.05 O ATOM 732 CB TYR A 46 -3.319 0.000 1.521 1.00 41.01 C ATOM 733 CG TYR A 46 -2.975 1.356 2.109 1.00 44.21 C ATOM 734 CD1 TYR A 46 -3.495 1.744 3.339 1.00 63.30 C ATOM 735 CD2 TYR A 46 -2.173 2.262 1.423 1.00 34.34 C ATOM 736 CE1 TYR A 46 -3.230 2.991 3.866 1.00 44.41 C ATOM 737 CE2 TYR A 46 -1.897 3.512 1.950 1.00 2.14 C ATOM 738 CZ TYR A 46 -2.433 3.869 3.172 1.00 4.33 C ATOM 739 OH TYR A 46 -2.179 5.114 3.702 1.00 72.13 O ATOM 0 H TYR A 46 -1.391 -1.663 0.584 1.00 21.20 H new ATOM 0 HA TYR A 46 -2.455 -0.994 3.259 1.00 30.24 H new ATOM 0 HB2 TYR A 46 -3.039 -0.002 0.468 1.00 41.01 H new ATOM 0 HB3 TYR A 46 -4.400 -0.132 1.564 1.00 41.01 H new ATOM 0 HD1 TYR A 46 -4.118 1.056 3.892 1.00 63.30 H new ATOM 0 HD2 TYR A 46 -1.759 1.986 0.464 1.00 34.34 H new ATOM 0 HE1 TYR A 46 -3.647 3.276 4.820 1.00 44.41 H new ATOM 0 HE2 TYR A 46 -1.267 4.203 1.410 1.00 2.14 H new ATOM 0 HH TYR A 46 -2.197 5.063 4.681 1.00 72.13 H new ATOM 749 N ASP A 47 -4.528 -2.503 3.086 1.00 61.11 N ATOM 750 CA ASP A 47 -5.625 -3.484 3.045 1.00 3.03 C ATOM 751 C ASP A 47 -6.876 -2.894 2.375 1.00 71.33 C ATOM 752 O ASP A 47 -7.560 -2.045 2.959 1.00 2.40 O ATOM 753 CB ASP A 47 -5.997 -3.937 4.463 1.00 14.51 C ATOM 754 CG ASP A 47 -5.015 -4.930 5.051 1.00 71.43 C ATOM 755 OD1 ASP A 47 -4.718 -5.935 4.385 1.00 44.42 O ATOM 756 OD2 ASP A 47 -4.575 -4.729 6.202 1.00 10.20 O ATOM 0 H ASP A 47 -4.532 -1.911 3.916 1.00 61.11 H new ATOM 0 HA ASP A 47 -5.274 -4.336 2.463 1.00 3.03 H new ATOM 0 HB2 ASP A 47 -6.053 -3.064 5.113 1.00 14.51 H new ATOM 0 HB3 ASP A 47 -6.990 -4.386 4.445 1.00 14.51 H new ATOM 761 N LEU A 48 -7.175 -3.340 1.156 1.00 73.40 N ATOM 762 CA LEU A 48 -8.389 -2.904 0.453 1.00 50.25 C ATOM 763 C LEU A 48 -9.339 -4.091 0.220 1.00 54.33 C ATOM 764 O LEU A 48 -8.974 -5.078 -0.423 1.00 72.20 O ATOM 765 CB LEU A 48 -8.026 -2.238 -0.884 1.00 5.41 C ATOM 766 CG LEU A 48 -7.115 -0.998 -0.777 1.00 20.22 C ATOM 767 CD1 LEU A 48 -6.876 -0.382 -2.151 1.00 5.00 C ATOM 768 CD2 LEU A 48 -7.707 0.035 0.183 1.00 61.24 C ATOM 0 H LEU A 48 -6.599 -4.000 0.633 1.00 73.40 H new ATOM 0 HA LEU A 48 -8.901 -2.172 1.078 1.00 50.25 H new ATOM 0 HB2 LEU A 48 -7.534 -2.976 -1.517 1.00 5.41 H new ATOM 0 HB3 LEU A 48 -8.948 -1.949 -1.389 1.00 5.41 H new ATOM 0 HG LEU A 48 -6.154 -1.320 -0.376 1.00 20.22 H new ATOM 0 HD11 LEU A 48 -6.231 0.491 -2.051 1.00 5.00 H new ATOM 0 HD12 LEU A 48 -6.397 -1.115 -2.800 1.00 5.00 H new ATOM 0 HD13 LEU A 48 -7.829 -0.081 -2.586 1.00 5.00 H new ATOM 0 HD21 LEU A 48 -7.045 0.899 0.241 1.00 61.24 H new ATOM 0 HD22 LEU A 48 -8.685 0.350 -0.180 1.00 61.24 H new ATOM 0 HD23 LEU A 48 -7.813 -0.407 1.174 1.00 61.24 H new ATOM 780 N LYS A 49 -10.556 -3.990 0.754 1.00 3.43 N ATOM 781 CA LYS A 49 -11.558 -5.054 0.616 1.00 13.24 C ATOM 782 C LYS A 49 -12.457 -4.805 -0.610 1.00 22.21 C ATOM 783 O LYS A 49 -12.719 -3.659 -0.973 1.00 1.25 O ATOM 784 CB LYS A 49 -12.419 -5.133 1.889 1.00 52.53 C ATOM 785 CG LYS A 49 -11.614 -5.132 3.192 1.00 43.05 C ATOM 786 CD LYS A 49 -10.627 -6.299 3.283 1.00 20.23 C ATOM 787 CE LYS A 49 -9.840 -6.265 4.592 1.00 3.54 C ATOM 788 NZ LYS A 49 -8.850 -7.369 4.692 1.00 0.12 N ATOM 0 H LYS A 49 -10.875 -3.182 1.288 1.00 3.43 H new ATOM 0 HA LYS A 49 -11.036 -6.000 0.474 1.00 13.24 H new ATOM 0 HB2 LYS A 49 -13.109 -4.289 1.901 1.00 52.53 H new ATOM 0 HB3 LYS A 49 -13.024 -6.039 1.849 1.00 52.53 H new ATOM 0 HG2 LYS A 49 -11.067 -4.193 3.275 1.00 43.05 H new ATOM 0 HG3 LYS A 49 -12.301 -5.177 4.037 1.00 43.05 H new ATOM 0 HD2 LYS A 49 -11.169 -7.242 3.207 1.00 20.23 H new ATOM 0 HD3 LYS A 49 -9.936 -6.259 2.441 1.00 20.23 H new ATOM 0 HE2 LYS A 49 -9.323 -5.309 4.676 1.00 3.54 H new ATOM 0 HE3 LYS A 49 -10.534 -6.327 5.431 1.00 3.54 H new ATOM 0 HZ1 LYS A 49 -8.019 -7.043 5.226 1.00 0.12 H new ATOM 0 HZ2 LYS A 49 -9.281 -8.178 5.183 1.00 0.12 H new ATOM 0 HZ3 LYS A 49 -8.556 -7.660 3.738 1.00 0.12 H new ATOM 802 N SER A 50 -12.930 -5.879 -1.244 1.00 42.22 N ATOM 803 CA SER A 50 -13.796 -5.761 -2.430 1.00 25.34 C ATOM 804 C SER A 50 -15.204 -5.274 -2.055 1.00 25.23 C ATOM 805 O SER A 50 -15.637 -5.422 -0.912 1.00 21.12 O ATOM 806 CB SER A 50 -13.896 -7.108 -3.163 1.00 51.42 C ATOM 807 OG SER A 50 -12.621 -7.553 -3.604 1.00 22.24 O ATOM 0 H SER A 50 -12.732 -6.839 -0.962 1.00 42.22 H new ATOM 0 HA SER A 50 -13.341 -5.023 -3.091 1.00 25.34 H new ATOM 0 HB2 SER A 50 -14.334 -7.854 -2.499 1.00 51.42 H new ATOM 0 HB3 SER A 50 -14.565 -7.010 -4.018 1.00 51.42 H new ATOM 0 HG SER A 50 -12.128 -7.934 -2.848 1.00 22.24 H new ATOM 866 N ARG A 55 -13.794 -11.031 -1.157 1.00 2.23 N ATOM 867 CA ARG A 55 -12.333 -11.165 -1.238 1.00 60.34 C ATOM 868 C ARG A 55 -11.648 -9.810 -0.994 1.00 12.02 C ATOM 869 O ARG A 55 -12.318 -8.795 -0.798 1.00 1.12 O ATOM 870 CB ARG A 55 -11.923 -11.739 -2.608 1.00 75.21 C ATOM 871 CG ARG A 55 -12.027 -10.749 -3.770 1.00 65.43 C ATOM 872 CD ARG A 55 -11.789 -11.421 -5.128 1.00 60.21 C ATOM 873 NE ARG A 55 -10.646 -12.340 -5.109 1.00 41.44 N ATOM 874 CZ ARG A 55 -9.866 -12.575 -6.129 1.00 74.21 C ATOM 875 NH1 ARG A 55 -10.010 -11.929 -7.243 1.00 63.35 N ATOM 876 NH2 ARG A 55 -8.931 -13.464 -6.020 1.00 35.43 N ATOM 0 HA ARG A 55 -12.007 -11.856 -0.460 1.00 60.34 H new ATOM 0 HB2 ARG A 55 -10.896 -12.098 -2.544 1.00 75.21 H new ATOM 0 HB3 ARG A 55 -12.549 -12.604 -2.827 1.00 75.21 H new ATOM 0 HG2 ARG A 55 -13.014 -10.287 -3.764 1.00 65.43 H new ATOM 0 HG3 ARG A 55 -11.300 -9.949 -3.630 1.00 65.43 H new ATOM 0 HD2 ARG A 55 -12.685 -11.968 -5.421 1.00 60.21 H new ATOM 0 HD3 ARG A 55 -11.622 -10.654 -5.884 1.00 60.21 H new ATOM 0 HE ARG A 55 -10.446 -12.830 -4.237 1.00 41.44 H new ATOM 0 HH11 ARG A 55 -10.742 -11.224 -7.333 1.00 63.35 H new ATOM 0 HH12 ARG A 55 -9.392 -12.125 -8.030 1.00 63.35 H new ATOM 0 HH21 ARG A 55 -8.810 -13.972 -5.144 1.00 35.43 H new ATOM 0 HH22 ARG A 55 -8.315 -13.656 -6.810 1.00 35.43 H new ATOM 890 N MET A 56 -10.316 -9.792 -1.000 1.00 44.30 N ATOM 891 CA MET A 56 -9.571 -8.541 -0.811 1.00 14.43 C ATOM 892 C MET A 56 -8.274 -8.525 -1.630 1.00 2.03 C ATOM 893 O MET A 56 -7.849 -9.552 -2.164 1.00 0.34 O ATOM 894 CB MET A 56 -9.232 -8.325 0.671 1.00 32.14 C ATOM 895 CG MET A 56 -8.135 -9.241 1.200 1.00 1.32 C ATOM 896 SD MET A 56 -7.622 -8.799 2.871 1.00 23.23 S ATOM 897 CE MET A 56 -6.188 -9.852 3.090 1.00 34.24 C ATOM 0 H MET A 56 -9.733 -10.618 -1.132 1.00 44.30 H new ATOM 0 HA MET A 56 -10.215 -7.733 -1.160 1.00 14.43 H new ATOM 0 HB2 MET A 56 -8.926 -7.289 0.815 1.00 32.14 H new ATOM 0 HB3 MET A 56 -10.134 -8.476 1.264 1.00 32.14 H new ATOM 0 HG2 MET A 56 -8.490 -10.272 1.192 1.00 1.32 H new ATOM 0 HG3 MET A 56 -7.274 -9.195 0.534 1.00 1.32 H new ATOM 0 HE1 MET A 56 -5.817 -9.754 4.110 1.00 34.24 H new ATOM 0 HE2 MET A 56 -6.466 -10.889 2.903 1.00 34.24 H new ATOM 0 HE3 MET A 56 -5.408 -9.554 2.390 1.00 34.24 H new ATOM 907 N ILE A 57 -7.648 -7.353 -1.709 1.00 35.43 N ATOM 908 CA ILE A 57 -6.364 -7.187 -2.397 1.00 11.13 C ATOM 909 C ILE A 57 -5.421 -6.287 -1.581 1.00 73.15 C ATOM 910 O ILE A 57 -5.830 -5.243 -1.065 1.00 52.21 O ATOM 911 CB ILE A 57 -6.550 -6.585 -3.819 1.00 13.05 C ATOM 912 CG1 ILE A 57 -7.298 -5.241 -3.744 1.00 12.34 C ATOM 913 CG2 ILE A 57 -7.292 -7.568 -4.725 1.00 54.22 C ATOM 914 CD1 ILE A 57 -7.505 -4.572 -5.089 1.00 41.50 C ATOM 0 H ILE A 57 -8.013 -6.493 -1.300 1.00 35.43 H new ATOM 0 HA ILE A 57 -5.923 -8.179 -2.496 1.00 11.13 H new ATOM 0 HB ILE A 57 -5.565 -6.403 -4.248 1.00 13.05 H new ATOM 0 HG12 ILE A 57 -8.270 -5.404 -3.278 1.00 12.34 H new ATOM 0 HG13 ILE A 57 -6.742 -4.564 -3.095 1.00 12.34 H new ATOM 0 HG21 ILE A 57 -7.413 -7.130 -5.716 1.00 54.22 H new ATOM 0 HG22 ILE A 57 -6.720 -8.492 -4.805 1.00 54.22 H new ATOM 0 HG23 ILE A 57 -8.273 -7.784 -4.302 1.00 54.22 H new ATOM 0 HD11 ILE A 57 -8.039 -3.632 -4.949 1.00 41.50 H new ATOM 0 HD12 ILE A 57 -6.537 -4.375 -5.550 1.00 41.50 H new ATOM 0 HD13 ILE A 57 -8.088 -5.228 -5.736 1.00 41.50 H new ATOM 926 N GLN A 58 -4.162 -6.699 -1.445 1.00 73.22 N ATOM 927 CA GLN A 58 -3.167 -5.893 -0.731 1.00 24.50 C ATOM 928 C GLN A 58 -2.396 -4.999 -1.711 1.00 34.10 C ATOM 929 O GLN A 58 -1.532 -5.470 -2.451 1.00 50.52 O ATOM 930 CB GLN A 58 -2.210 -6.808 0.040 1.00 61.20 C ATOM 931 CG GLN A 58 -2.895 -7.597 1.154 1.00 4.22 C ATOM 932 CD GLN A 58 -1.993 -8.640 1.780 1.00 22.44 C ATOM 933 OE1 GLN A 58 -1.285 -8.379 2.742 1.00 25.34 O ATOM 934 NE2 GLN A 58 -2.002 -9.832 1.227 1.00 40.13 N ATOM 0 H GLN A 58 -3.806 -7.580 -1.816 1.00 73.22 H new ATOM 0 HA GLN A 58 -3.680 -5.247 -0.019 1.00 24.50 H new ATOM 0 HB2 GLN A 58 -1.745 -7.505 -0.657 1.00 61.20 H new ATOM 0 HB3 GLN A 58 -1.410 -6.206 0.470 1.00 61.20 H new ATOM 0 HG2 GLN A 58 -3.233 -6.906 1.926 1.00 4.22 H new ATOM 0 HG3 GLN A 58 -3.783 -8.086 0.753 1.00 4.22 H new ATOM 0 HE21 GLN A 58 -2.604 -10.018 0.425 1.00 40.13 H new ATOM 0 HE22 GLN A 58 -1.407 -10.572 1.600 1.00 40.13 H new ATOM 943 N VAL A 59 -2.706 -3.706 -1.705 1.00 43.15 N ATOM 944 CA VAL A 59 -2.142 -2.771 -2.688 1.00 24.42 C ATOM 945 C VAL A 59 -0.930 -2.014 -2.129 1.00 12.32 C ATOM 946 O VAL A 59 -1.036 -1.295 -1.136 1.00 30.44 O ATOM 947 CB VAL A 59 -3.211 -1.758 -3.168 1.00 31.11 C ATOM 948 CG1 VAL A 59 -2.623 -0.778 -4.182 1.00 71.11 C ATOM 949 CG2 VAL A 59 -4.412 -2.496 -3.758 1.00 33.20 C ATOM 0 H VAL A 59 -3.343 -3.277 -1.034 1.00 43.15 H new ATOM 0 HA VAL A 59 -1.809 -3.370 -3.536 1.00 24.42 H new ATOM 0 HB VAL A 59 -3.548 -1.181 -2.307 1.00 31.11 H new ATOM 0 HG11 VAL A 59 -3.395 -0.078 -4.502 1.00 71.11 H new ATOM 0 HG12 VAL A 59 -1.802 -0.227 -3.722 1.00 71.11 H new ATOM 0 HG13 VAL A 59 -2.251 -1.328 -5.046 1.00 71.11 H new ATOM 0 HG21 VAL A 59 -5.156 -1.772 -4.091 1.00 33.20 H new ATOM 0 HG22 VAL A 59 -4.088 -3.100 -4.606 1.00 33.20 H new ATOM 0 HG23 VAL A 59 -4.850 -3.143 -2.998 1.00 33.20 H new ATOM 959 N SER A 60 0.221 -2.171 -2.780 1.00 34.54 N ATOM 960 CA SER A 60 1.463 -1.529 -2.329 1.00 32.30 C ATOM 961 C SER A 60 1.894 -0.400 -3.279 1.00 42.15 C ATOM 962 O SER A 60 2.219 -0.642 -4.446 1.00 13.51 O ATOM 963 CB SER A 60 2.582 -2.570 -2.209 1.00 12.14 C ATOM 964 OG SER A 60 3.719 -2.026 -1.565 1.00 33.11 O ATOM 0 H SER A 60 0.324 -2.737 -3.622 1.00 34.54 H new ATOM 0 HA SER A 60 1.272 -1.088 -1.351 1.00 32.30 H new ATOM 0 HB2 SER A 60 2.221 -3.433 -1.649 1.00 12.14 H new ATOM 0 HB3 SER A 60 2.858 -2.927 -3.201 1.00 12.14 H new ATOM 0 HG SER A 60 4.473 -2.009 -2.191 1.00 33.11 H new ATOM 970 N ILE A 61 1.889 0.834 -2.777 1.00 64.13 N ATOM 971 CA ILE A 61 2.262 2.013 -3.575 1.00 24.54 C ATOM 972 C ILE A 61 3.680 2.514 -3.224 1.00 33.12 C ATOM 973 O ILE A 61 4.144 2.338 -2.096 1.00 20.43 O ATOM 974 CB ILE A 61 1.244 3.167 -3.368 1.00 22.30 C ATOM 975 CG1 ILE A 61 1.135 3.535 -1.875 1.00 5.54 C ATOM 976 CG2 ILE A 61 -0.121 2.783 -3.940 1.00 42.52 C ATOM 977 CD1 ILE A 61 0.163 4.661 -1.591 1.00 21.14 C ATOM 0 H ILE A 61 1.629 1.049 -1.814 1.00 64.13 H new ATOM 0 HA ILE A 61 2.251 1.704 -4.620 1.00 24.54 H new ATOM 0 HB ILE A 61 1.602 4.046 -3.904 1.00 22.30 H new ATOM 0 HG12 ILE A 61 0.827 2.652 -1.315 1.00 5.54 H new ATOM 0 HG13 ILE A 61 2.121 3.818 -1.507 1.00 5.54 H new ATOM 0 HG21 ILE A 61 -0.823 3.602 -3.787 1.00 42.52 H new ATOM 0 HG22 ILE A 61 -0.025 2.582 -5.007 1.00 42.52 H new ATOM 0 HG23 ILE A 61 -0.489 1.890 -3.434 1.00 42.52 H new ATOM 0 HD11 ILE A 61 0.142 4.862 -0.520 1.00 21.14 H new ATOM 0 HD12 ILE A 61 0.480 5.558 -2.122 1.00 21.14 H new ATOM 0 HD13 ILE A 61 -0.834 4.374 -1.926 1.00 21.14 H new ATOM 989 N PRO A 62 4.386 3.150 -4.186 1.00 22.44 N ATOM 990 CA PRO A 62 5.761 3.652 -3.969 1.00 63.32 C ATOM 991 C PRO A 62 5.857 4.704 -2.840 1.00 10.24 C ATOM 992 O PRO A 62 4.930 5.484 -2.617 1.00 71.43 O ATOM 993 CB PRO A 62 6.136 4.274 -5.329 1.00 33.21 C ATOM 994 CG PRO A 62 4.834 4.523 -6.015 1.00 4.22 C ATOM 995 CD PRO A 62 3.913 3.426 -5.557 1.00 73.11 C ATOM 0 HA PRO A 62 6.430 2.853 -3.649 1.00 63.32 H new ATOM 0 HB2 PRO A 62 6.696 5.200 -5.198 1.00 33.21 H new ATOM 0 HB3 PRO A 62 6.765 3.600 -5.910 1.00 33.21 H new ATOM 0 HG2 PRO A 62 4.435 5.503 -5.753 1.00 4.22 H new ATOM 0 HG3 PRO A 62 4.953 4.506 -7.098 1.00 4.22 H new ATOM 0 HD2 PRO A 62 2.870 3.743 -5.569 1.00 73.11 H new ATOM 0 HD3 PRO A 62 3.986 2.545 -6.195 1.00 73.11 H new ATOM 1003 N ALA A 63 6.999 4.734 -2.148 1.00 2.25 N ATOM 1004 CA ALA A 63 7.204 5.644 -1.007 1.00 43.34 C ATOM 1005 C ALA A 63 7.262 7.123 -1.429 1.00 61.41 C ATOM 1006 O ALA A 63 7.170 8.019 -0.588 1.00 34.30 O ATOM 1007 CB ALA A 63 8.475 5.261 -0.264 1.00 15.51 C ATOM 0 H ALA A 63 7.801 4.138 -2.355 1.00 2.25 H new ATOM 0 HA ALA A 63 6.342 5.536 -0.349 1.00 43.34 H new ATOM 0 HB1 ALA A 63 8.622 5.937 0.578 1.00 15.51 H new ATOM 0 HB2 ALA A 63 8.388 4.238 0.102 1.00 15.51 H new ATOM 0 HB3 ALA A 63 9.327 5.333 -0.940 1.00 15.51 H new ATOM 1013 N SER A 64 7.436 7.371 -2.728 1.00 52.55 N ATOM 1014 CA SER A 64 7.412 8.742 -3.269 1.00 23.14 C ATOM 1015 C SER A 64 6.029 9.386 -3.084 1.00 42.22 C ATOM 1016 O SER A 64 5.891 10.612 -3.107 1.00 73.20 O ATOM 1017 CB SER A 64 7.788 8.736 -4.759 1.00 41.14 C ATOM 1018 OG SER A 64 7.792 10.049 -5.299 1.00 23.22 O ATOM 0 H SER A 64 7.595 6.646 -3.428 1.00 52.55 H new ATOM 0 HA SER A 64 8.144 9.332 -2.717 1.00 23.14 H new ATOM 0 HB2 SER A 64 8.773 8.286 -4.885 1.00 41.14 H new ATOM 0 HB3 SER A 64 7.082 8.116 -5.311 1.00 41.14 H new ATOM 0 HG SER A 64 8.036 10.012 -6.247 1.00 23.22 H new ATOM 1024 N VAL A 65 5.012 8.549 -2.895 1.00 25.13 N ATOM 1025 CA VAL A 65 3.640 9.015 -2.688 1.00 11.13 C ATOM 1026 C VAL A 65 3.323 9.168 -1.185 1.00 74.42 C ATOM 1027 O VAL A 65 3.460 8.211 -0.416 1.00 15.34 O ATOM 1028 CB VAL A 65 2.625 8.036 -3.331 1.00 12.23 C ATOM 1029 CG1 VAL A 65 1.196 8.554 -3.179 1.00 71.11 C ATOM 1030 CG2 VAL A 65 2.968 7.797 -4.803 1.00 74.12 C ATOM 0 H VAL A 65 5.113 7.534 -2.881 1.00 25.13 H new ATOM 0 HA VAL A 65 3.552 9.990 -3.166 1.00 11.13 H new ATOM 0 HB VAL A 65 2.691 7.082 -2.807 1.00 12.23 H new ATOM 0 HG11 VAL A 65 0.503 7.849 -3.638 1.00 71.11 H new ATOM 0 HG12 VAL A 65 0.958 8.660 -2.121 1.00 71.11 H new ATOM 0 HG13 VAL A 65 1.106 9.523 -3.670 1.00 71.11 H new ATOM 0 HG21 VAL A 65 2.245 7.107 -5.238 1.00 74.12 H new ATOM 0 HG22 VAL A 65 2.936 8.744 -5.342 1.00 74.12 H new ATOM 0 HG23 VAL A 65 3.968 7.370 -4.879 1.00 74.12 H new ATOM 1040 N PRO A 66 2.914 10.382 -0.743 1.00 4.25 N ATOM 1041 CA PRO A 66 2.543 10.643 0.665 1.00 11.32 C ATOM 1042 C PRO A 66 1.503 9.652 1.224 1.00 62.53 C ATOM 1043 O PRO A 66 0.667 9.121 0.487 1.00 12.31 O ATOM 1044 CB PRO A 66 1.956 12.060 0.615 1.00 71.54 C ATOM 1045 CG PRO A 66 2.626 12.701 -0.554 1.00 10.13 C ATOM 1046 CD PRO A 66 2.812 11.604 -1.569 1.00 22.23 C ATOM 0 HA PRO A 66 3.402 10.532 1.327 1.00 11.32 H new ATOM 0 HB2 PRO A 66 0.874 12.037 0.489 1.00 71.54 H new ATOM 0 HB3 PRO A 66 2.158 12.606 1.537 1.00 71.54 H new ATOM 0 HG2 PRO A 66 2.018 13.510 -0.959 1.00 10.13 H new ATOM 0 HG3 PRO A 66 3.584 13.135 -0.267 1.00 10.13 H new ATOM 0 HD2 PRO A 66 1.972 11.551 -2.261 1.00 22.23 H new ATOM 0 HD3 PRO A 66 3.709 11.759 -2.168 1.00 22.23 H new ATOM 1054 N LEU A 67 1.549 9.426 2.540 1.00 2.41 N ATOM 1055 CA LEU A 67 0.659 8.459 3.193 1.00 30.34 C ATOM 1056 C LEU A 67 -0.801 8.951 3.205 1.00 0.51 C ATOM 1057 O LEU A 67 -1.068 10.137 3.421 1.00 53.40 O ATOM 1058 CB LEU A 67 1.143 8.177 4.622 1.00 71.25 C ATOM 1059 CG LEU A 67 0.412 7.035 5.342 1.00 40.00 C ATOM 1060 CD1 LEU A 67 0.507 5.752 4.519 1.00 50.41 C ATOM 1061 CD2 LEU A 67 0.984 6.828 6.742 1.00 4.33 C ATOM 0 H LEU A 67 2.192 9.899 3.175 1.00 2.41 H new ATOM 0 HA LEU A 67 0.689 7.534 2.618 1.00 30.34 H new ATOM 0 HB2 LEU A 67 2.207 7.943 4.589 1.00 71.25 H new ATOM 0 HB3 LEU A 67 1.034 9.087 5.212 1.00 71.25 H new ATOM 0 HG LEU A 67 -0.640 7.302 5.446 1.00 40.00 H new ATOM 0 HD11 LEU A 67 -0.014 4.948 5.038 1.00 50.41 H new ATOM 0 HD12 LEU A 67 0.049 5.911 3.543 1.00 50.41 H new ATOM 0 HD13 LEU A 67 1.554 5.480 4.388 1.00 50.41 H new ATOM 0 HD21 LEU A 67 0.452 6.014 7.236 1.00 4.33 H new ATOM 0 HD22 LEU A 67 2.043 6.578 6.669 1.00 4.33 H new ATOM 0 HD23 LEU A 67 0.866 7.743 7.322 1.00 4.33 H new ATOM 1073 N LYS A 68 -1.744 8.029 2.997 1.00 44.43 N ATOM 1074 CA LYS A 68 -3.153 8.387 2.778 1.00 71.33 C ATOM 1075 C LYS A 68 -3.914 8.666 4.087 1.00 73.31 C ATOM 1076 O LYS A 68 -4.483 9.744 4.259 1.00 31.04 O ATOM 1077 CB LYS A 68 -3.859 7.271 1.993 1.00 24.30 C ATOM 1078 CG LYS A 68 -3.121 6.839 0.726 1.00 51.14 C ATOM 1079 CD LYS A 68 -2.670 8.037 -0.102 1.00 34.42 C ATOM 1080 CE LYS A 68 -2.098 7.616 -1.450 1.00 14.23 C ATOM 1081 NZ LYS A 68 -1.769 8.789 -2.301 1.00 62.14 N ATOM 0 H LYS A 68 -1.560 7.026 2.975 1.00 44.43 H new ATOM 0 HA LYS A 68 -3.158 9.314 2.204 1.00 71.33 H new ATOM 0 HB2 LYS A 68 -3.981 6.405 2.643 1.00 24.30 H new ATOM 0 HB3 LYS A 68 -4.859 7.609 1.721 1.00 24.30 H new ATOM 0 HG2 LYS A 68 -2.254 6.238 0.998 1.00 51.14 H new ATOM 0 HG3 LYS A 68 -3.772 6.205 0.124 1.00 51.14 H new ATOM 0 HD2 LYS A 68 -3.515 8.707 -0.260 1.00 34.42 H new ATOM 0 HD3 LYS A 68 -1.917 8.598 0.452 1.00 34.42 H new ATOM 0 HE2 LYS A 68 -1.200 7.018 -1.293 1.00 14.23 H new ATOM 0 HE3 LYS A 68 -2.817 6.982 -1.968 1.00 14.23 H new ATOM 0 HZ1 LYS A 68 -1.447 8.462 -3.234 1.00 62.14 H new ATOM 0 HZ2 LYS A 68 -2.615 9.383 -2.416 1.00 62.14 H new ATOM 0 HZ3 LYS A 68 -1.015 9.345 -1.850 1.00 62.14 H new ATOM 1095 N GLU A 69 -3.937 7.682 4.992 1.00 25.22 N ATOM 1096 CA GLU A 69 -4.673 7.800 6.266 1.00 71.14 C ATOM 1097 C GLU A 69 -6.184 8.045 6.049 1.00 70.01 C ATOM 1098 O GLU A 69 -6.795 8.847 6.758 1.00 2.22 O ATOM 1099 CB GLU A 69 -4.084 8.934 7.133 1.00 52.03 C ATOM 1100 CG GLU A 69 -2.623 8.737 7.529 1.00 61.52 C ATOM 1101 CD GLU A 69 -2.105 9.858 8.423 1.00 24.31 C ATOM 1102 OE1 GLU A 69 -1.821 10.961 7.903 1.00 71.34 O ATOM 1103 OE2 GLU A 69 -1.980 9.646 9.651 1.00 4.10 O ATOM 0 H GLU A 69 -3.455 6.791 4.870 1.00 25.22 H new ATOM 0 HA GLU A 69 -4.559 6.848 6.784 1.00 71.14 H new ATOM 0 HB2 GLU A 69 -4.176 9.874 6.590 1.00 52.03 H new ATOM 0 HB3 GLU A 69 -4.683 9.030 8.039 1.00 52.03 H new ATOM 0 HG2 GLU A 69 -2.516 7.784 8.047 1.00 61.52 H new ATOM 0 HG3 GLU A 69 -2.010 8.681 6.629 1.00 61.52 H new ATOM 1110 N PHE A 70 -6.790 7.343 5.088 1.00 33.42 N ATOM 1111 CA PHE A 70 -8.235 7.483 4.824 1.00 22.14 C ATOM 1112 C PHE A 70 -9.080 6.984 6.010 1.00 31.25 C ATOM 1113 O PHE A 70 -8.571 6.341 6.932 1.00 15.34 O ATOM 1114 CB PHE A 70 -8.637 6.717 3.551 1.00 23.42 C ATOM 1115 CG PHE A 70 -8.045 7.269 2.275 1.00 32.44 C ATOM 1116 CD1 PHE A 70 -8.109 8.627 1.992 1.00 11.22 C ATOM 1117 CD2 PHE A 70 -7.432 6.428 1.352 1.00 54.42 C ATOM 1118 CE1 PHE A 70 -7.574 9.133 0.823 1.00 2.51 C ATOM 1119 CE2 PHE A 70 -6.900 6.932 0.179 1.00 23.12 C ATOM 1120 CZ PHE A 70 -6.971 8.285 -0.085 1.00 43.03 C ATOM 0 H PHE A 70 -6.313 6.676 4.482 1.00 33.42 H new ATOM 0 HA PHE A 70 -8.431 8.546 4.682 1.00 22.14 H new ATOM 0 HB2 PHE A 70 -8.333 5.676 3.657 1.00 23.42 H new ATOM 0 HB3 PHE A 70 -9.724 6.724 3.466 1.00 23.42 H new ATOM 0 HD1 PHE A 70 -8.583 9.296 2.695 1.00 11.22 H new ATOM 0 HD2 PHE A 70 -7.371 5.369 1.554 1.00 54.42 H new ATOM 0 HE1 PHE A 70 -7.627 10.192 0.619 1.00 2.51 H new ATOM 0 HE2 PHE A 70 -6.429 6.267 -0.530 1.00 23.12 H new ATOM 0 HZ PHE A 70 -6.556 8.680 -1.000 1.00 43.03 H new ATOM 1130 N ASP A 71 -10.378 7.284 5.983 1.00 65.30 N ATOM 1131 CA ASP A 71 -11.299 6.833 7.033 1.00 55.10 C ATOM 1132 C ASP A 71 -11.516 5.309 6.957 1.00 30.31 C ATOM 1133 O ASP A 71 -11.388 4.709 5.886 1.00 24.44 O ATOM 1134 CB ASP A 71 -12.635 7.579 6.904 1.00 13.54 C ATOM 1135 CG ASP A 71 -13.619 7.215 8.004 1.00 33.42 C ATOM 1136 OD1 ASP A 71 -13.205 7.163 9.182 1.00 71.24 O ATOM 1137 OD2 ASP A 71 -14.809 6.991 7.703 1.00 72.02 O ATOM 0 H ASP A 71 -10.818 7.837 5.247 1.00 65.30 H new ATOM 0 HA ASP A 71 -10.860 7.057 8.005 1.00 55.10 H new ATOM 0 HB2 ASP A 71 -12.450 8.653 6.928 1.00 13.54 H new ATOM 0 HB3 ASP A 71 -13.080 7.354 5.935 1.00 13.54 H new ATOM 1142 N TYR A 72 -11.845 4.684 8.086 1.00 23.52 N ATOM 1143 CA TYR A 72 -12.034 3.229 8.127 1.00 15.41 C ATOM 1144 C TYR A 72 -13.199 2.791 7.226 1.00 24.04 C ATOM 1145 O TYR A 72 -14.342 3.196 7.433 1.00 63.13 O ATOM 1146 CB TYR A 72 -12.270 2.750 9.563 1.00 30.42 C ATOM 1147 CG TYR A 72 -12.320 1.237 9.683 1.00 53.24 C ATOM 1148 CD1 TYR A 72 -11.184 0.474 9.443 1.00 3.11 C ATOM 1149 CD2 TYR A 72 -13.493 0.571 10.023 1.00 64.43 C ATOM 1150 CE1 TYR A 72 -11.214 -0.902 9.534 1.00 72.34 C ATOM 1151 CE2 TYR A 72 -13.529 -0.808 10.121 1.00 11.45 C ATOM 1152 CZ TYR A 72 -12.384 -1.539 9.874 1.00 21.43 C ATOM 1153 OH TYR A 72 -12.413 -2.912 9.963 1.00 54.33 O ATOM 0 H TYR A 72 -11.986 5.155 8.980 1.00 23.52 H new ATOM 0 HA TYR A 72 -11.120 2.770 7.750 1.00 15.41 H new ATOM 0 HB2 TYR A 72 -11.476 3.134 10.203 1.00 30.42 H new ATOM 0 HB3 TYR A 72 -13.206 3.169 9.931 1.00 30.42 H new ATOM 0 HD1 TYR A 72 -10.260 0.968 9.180 1.00 3.11 H new ATOM 0 HD2 TYR A 72 -14.391 1.140 10.214 1.00 64.43 H new ATOM 0 HE1 TYR A 72 -10.321 -1.477 9.339 1.00 72.34 H new ATOM 0 HE2 TYR A 72 -14.447 -1.310 10.389 1.00 11.45 H new ATOM 0 HH TYR A 72 -13.314 -3.205 10.214 1.00 54.33 H new ATOM 1163 N ASN A 73 -12.886 1.961 6.230 1.00 1.33 N ATOM 1164 CA ASN A 73 -13.868 1.472 5.248 1.00 42.41 C ATOM 1165 C ASN A 73 -14.307 2.573 4.273 1.00 3.22 C ATOM 1166 O ASN A 73 -15.338 2.451 3.611 1.00 60.21 O ATOM 1167 CB ASN A 73 -15.081 0.831 5.945 1.00 72.22 C ATOM 1168 CG ASN A 73 -14.774 -0.545 6.519 1.00 12.44 C ATOM 1169 OD1 ASN A 73 -15.653 -1.393 6.615 1.00 54.11 O ATOM 1170 ND2 ASN A 73 -13.529 -0.793 6.884 1.00 21.24 N ATOM 0 H ASN A 73 -11.942 1.605 6.077 1.00 1.33 H new ATOM 0 HA ASN A 73 -13.372 0.701 4.658 1.00 42.41 H new ATOM 0 HB2 ASN A 73 -15.421 1.486 6.747 1.00 72.22 H new ATOM 0 HB3 ASN A 73 -15.901 0.747 5.232 1.00 72.22 H new ATOM 0 HD21 ASN A 73 -13.280 -1.709 7.257 1.00 21.24 H new ATOM 0 HD22 ASN A 73 -12.817 -0.068 6.793 1.00 21.24 H new ATOM 1177 N ALA A 74 -13.498 3.626 4.165 1.00 34.01 N ATOM 1178 CA ALA A 74 -13.745 4.688 3.186 1.00 71.15 C ATOM 1179 C ALA A 74 -13.695 4.136 1.756 1.00 14.14 C ATOM 1180 O ALA A 74 -12.875 3.271 1.435 1.00 1.24 O ATOM 1181 CB ALA A 74 -12.732 5.817 3.353 1.00 55.02 C ATOM 0 H ALA A 74 -12.668 3.768 4.741 1.00 34.01 H new ATOM 0 HA ALA A 74 -14.744 5.086 3.365 1.00 71.15 H new ATOM 0 HB1 ALA A 74 -12.931 6.596 2.617 1.00 55.02 H new ATOM 0 HB2 ALA A 74 -12.815 6.235 4.356 1.00 55.02 H new ATOM 0 HB3 ALA A 74 -11.725 5.427 3.205 1.00 55.02 H new ATOM 1187 N ARG A 75 -14.588 4.633 0.911 1.00 23.14 N ATOM 1188 CA ARG A 75 -14.702 4.162 -0.473 1.00 64.44 C ATOM 1189 C ARG A 75 -13.526 4.662 -1.327 1.00 52.52 C ATOM 1190 O ARG A 75 -13.399 5.864 -1.574 1.00 73.21 O ATOM 1191 CB ARG A 75 -16.030 4.656 -1.064 1.00 24.51 C ATOM 1192 CG ARG A 75 -17.209 4.504 -0.108 1.00 51.13 C ATOM 1193 CD ARG A 75 -18.476 5.161 -0.649 1.00 63.21 C ATOM 1194 NE ARG A 75 -19.084 4.385 -1.728 1.00 22.03 N ATOM 1195 CZ ARG A 75 -19.382 4.859 -2.905 1.00 12.23 C ATOM 1196 NH1 ARG A 75 -19.057 6.066 -3.241 1.00 74.43 N ATOM 1197 NH2 ARG A 75 -19.984 4.109 -3.768 1.00 44.43 N ATOM 0 H ARG A 75 -15.251 5.368 1.157 1.00 23.14 H new ATOM 0 HA ARG A 75 -14.677 3.072 -0.477 1.00 64.44 H new ATOM 0 HB2 ARG A 75 -15.929 5.705 -1.341 1.00 24.51 H new ATOM 0 HB3 ARG A 75 -16.240 4.104 -1.980 1.00 24.51 H new ATOM 0 HG2 ARG A 75 -17.398 3.445 0.069 1.00 51.13 H new ATOM 0 HG3 ARG A 75 -16.954 4.947 0.855 1.00 51.13 H new ATOM 0 HD2 ARG A 75 -19.196 5.279 0.161 1.00 63.21 H new ATOM 0 HD3 ARG A 75 -18.238 6.161 -1.013 1.00 63.21 H new ATOM 0 HE ARG A 75 -19.290 3.402 -1.547 1.00 22.03 H new ATOM 0 HH11 ARG A 75 -18.559 6.663 -2.580 1.00 74.43 H new ATOM 0 HH12 ARG A 75 -19.298 6.420 -4.167 1.00 74.43 H new ATOM 0 HH21 ARG A 75 -20.225 3.148 -3.528 1.00 44.43 H new ATOM 0 HH22 ARG A 75 -20.218 4.478 -4.690 1.00 44.43 H new ATOM 1211 N VAL A 76 -12.664 3.744 -1.770 1.00 64.33 N ATOM 1212 CA VAL A 76 -11.501 4.095 -2.595 1.00 31.31 C ATOM 1213 C VAL A 76 -11.455 3.278 -3.900 1.00 50.31 C ATOM 1214 O VAL A 76 -12.107 2.243 -4.027 1.00 53.32 O ATOM 1215 CB VAL A 76 -10.167 3.893 -1.824 1.00 34.23 C ATOM 1216 CG1 VAL A 76 -10.130 4.756 -0.565 1.00 62.33 C ATOM 1217 CG2 VAL A 76 -9.945 2.420 -1.474 1.00 71.34 C ATOM 0 H VAL A 76 -12.748 2.747 -1.571 1.00 64.33 H new ATOM 0 HA VAL A 76 -11.614 5.151 -2.842 1.00 31.31 H new ATOM 0 HB VAL A 76 -9.356 4.208 -2.480 1.00 34.23 H new ATOM 0 HG11 VAL A 76 -9.187 4.597 -0.043 1.00 62.33 H new ATOM 0 HG12 VAL A 76 -10.219 5.807 -0.841 1.00 62.33 H new ATOM 0 HG13 VAL A 76 -10.958 4.481 0.089 1.00 62.33 H new ATOM 0 HG21 VAL A 76 -9.004 2.312 -0.935 1.00 71.34 H new ATOM 0 HG22 VAL A 76 -10.764 2.067 -0.847 1.00 71.34 H new ATOM 0 HG23 VAL A 76 -9.909 1.830 -2.390 1.00 71.34 H new ATOM 1227 N GLU A 77 -10.690 3.765 -4.874 1.00 13.22 N ATOM 1228 CA GLU A 77 -10.496 3.062 -6.149 1.00 53.53 C ATOM 1229 C GLU A 77 -9.052 3.235 -6.656 1.00 32.21 C ATOM 1230 O GLU A 77 -8.370 4.208 -6.316 1.00 71.11 O ATOM 1231 CB GLU A 77 -11.510 3.553 -7.202 1.00 33.24 C ATOM 1232 CG GLU A 77 -11.451 5.052 -7.485 1.00 22.13 C ATOM 1233 CD GLU A 77 -12.457 5.497 -8.541 1.00 24.24 C ATOM 1234 OE1 GLU A 77 -13.673 5.491 -8.254 1.00 10.24 O ATOM 1235 OE2 GLU A 77 -12.037 5.861 -9.660 1.00 60.45 O ATOM 0 H GLU A 77 -10.189 4.651 -4.807 1.00 13.22 H new ATOM 0 HA GLU A 77 -10.669 1.999 -5.981 1.00 53.53 H new ATOM 0 HB2 GLU A 77 -11.338 3.013 -8.133 1.00 33.24 H new ATOM 0 HB3 GLU A 77 -12.515 3.298 -6.867 1.00 33.24 H new ATOM 0 HG2 GLU A 77 -11.637 5.599 -6.560 1.00 22.13 H new ATOM 0 HG3 GLU A 77 -10.446 5.315 -7.814 1.00 22.13 H new ATOM 1242 N LEU A 78 -8.586 2.278 -7.458 1.00 71.23 N ATOM 1243 CA LEU A 78 -7.194 2.268 -7.938 1.00 24.24 C ATOM 1244 C LEU A 78 -7.045 2.912 -9.324 1.00 30.25 C ATOM 1245 O LEU A 78 -7.897 2.745 -10.194 1.00 13.42 O ATOM 1246 CB LEU A 78 -6.665 0.829 -7.995 1.00 61.11 C ATOM 1247 CG LEU A 78 -6.566 0.108 -6.641 1.00 2.50 C ATOM 1248 CD1 LEU A 78 -6.101 -1.333 -6.827 1.00 74.51 C ATOM 1249 CD2 LEU A 78 -5.630 0.857 -5.693 1.00 22.11 C ATOM 0 H LEU A 78 -9.149 1.496 -7.792 1.00 71.23 H new ATOM 0 HA LEU A 78 -6.613 2.859 -7.230 1.00 24.24 H new ATOM 0 HB2 LEU A 78 -7.313 0.247 -8.650 1.00 61.11 H new ATOM 0 HB3 LEU A 78 -5.676 0.841 -8.454 1.00 61.11 H new ATOM 0 HG LEU A 78 -7.560 0.091 -6.195 1.00 2.50 H new ATOM 0 HD11 LEU A 78 -6.038 -1.823 -5.856 1.00 74.51 H new ATOM 0 HD12 LEU A 78 -6.812 -1.866 -7.457 1.00 74.51 H new ATOM 0 HD13 LEU A 78 -5.120 -1.340 -7.301 1.00 74.51 H new ATOM 0 HD21 LEU A 78 -5.576 0.328 -4.742 1.00 22.11 H new ATOM 0 HD22 LEU A 78 -4.635 0.913 -6.134 1.00 22.11 H new ATOM 0 HD23 LEU A 78 -6.011 1.865 -5.527 1.00 22.11 H new ATOM 1261 N ILE A 79 -5.940 3.631 -9.520 1.00 44.22 N ATOM 1262 CA ILE A 79 -5.617 4.209 -10.827 1.00 41.42 C ATOM 1263 C ILE A 79 -5.101 3.125 -11.796 1.00 62.54 C ATOM 1264 O ILE A 79 -5.838 2.652 -12.659 1.00 24.11 O ATOM 1265 CB ILE A 79 -4.561 5.342 -10.699 1.00 34.41 C ATOM 1266 CG1 ILE A 79 -5.025 6.408 -9.689 1.00 1.35 C ATOM 1267 CG2 ILE A 79 -4.278 5.976 -12.061 1.00 43.05 C ATOM 1268 CD1 ILE A 79 -6.319 7.098 -10.067 1.00 10.23 C ATOM 0 H ILE A 79 -5.253 3.828 -8.792 1.00 44.22 H new ATOM 0 HA ILE A 79 -6.536 4.635 -11.228 1.00 41.42 H new ATOM 0 HB ILE A 79 -3.635 4.902 -10.329 1.00 34.41 H new ATOM 0 HG12 ILE A 79 -5.148 5.939 -8.713 1.00 1.35 H new ATOM 0 HG13 ILE A 79 -4.242 7.159 -9.585 1.00 1.35 H new ATOM 0 HG21 ILE A 79 -3.536 6.766 -11.947 1.00 43.05 H new ATOM 0 HG22 ILE A 79 -3.897 5.216 -12.744 1.00 43.05 H new ATOM 0 HG23 ILE A 79 -5.199 6.398 -12.464 1.00 43.05 H new ATOM 0 HD11 ILE A 79 -6.576 7.833 -9.304 1.00 10.23 H new ATOM 0 HD12 ILE A 79 -6.197 7.599 -11.027 1.00 10.23 H new ATOM 0 HD13 ILE A 79 -7.117 6.359 -10.142 1.00 10.23 H new ATOM 1280 N ASN A 80 -3.836 2.722 -11.635 1.00 41.12 N ATOM 1281 CA ASN A 80 -3.227 1.691 -12.490 1.00 54.03 C ATOM 1282 C ASN A 80 -2.525 0.609 -11.644 1.00 1.32 C ATOM 1283 O ASN A 80 -1.372 0.771 -11.247 1.00 11.44 O ATOM 1284 CB ASN A 80 -2.225 2.333 -13.460 1.00 72.41 C ATOM 1285 CG ASN A 80 -2.899 3.220 -14.495 1.00 50.31 C ATOM 1286 OD1 ASN A 80 -4.022 2.964 -14.914 1.00 30.50 O ATOM 1287 ND2 ASN A 80 -2.217 4.260 -14.928 1.00 64.14 N ATOM 0 H ASN A 80 -3.211 3.094 -10.920 1.00 41.12 H new ATOM 0 HA ASN A 80 -4.023 1.212 -13.061 1.00 54.03 H new ATOM 0 HB2 ASN A 80 -1.505 2.924 -12.894 1.00 72.41 H new ATOM 0 HB3 ASN A 80 -1.664 1.549 -13.969 1.00 72.41 H new ATOM 0 HD21 ASN A 80 -2.622 4.878 -15.631 1.00 64.14 H new ATOM 0 HD22 ASN A 80 -1.284 4.447 -14.560 1.00 64.14 H new ATOM 1294 N PRO A 81 -3.245 -0.480 -11.305 1.00 20.51 N ATOM 1295 CA PRO A 81 -2.685 -1.617 -10.549 1.00 14.51 C ATOM 1296 C PRO A 81 -1.917 -2.640 -11.417 1.00 23.44 C ATOM 1297 O PRO A 81 -2.141 -2.742 -12.627 1.00 22.45 O ATOM 1298 CB PRO A 81 -3.940 -2.256 -9.951 1.00 2.12 C ATOM 1299 CG PRO A 81 -4.999 -2.019 -10.977 1.00 0.23 C ATOM 1300 CD PRO A 81 -4.676 -0.690 -11.621 1.00 4.43 C ATOM 0 HA PRO A 81 -1.939 -1.289 -9.825 1.00 14.51 H new ATOM 0 HB2 PRO A 81 -3.795 -3.321 -9.767 1.00 2.12 H new ATOM 0 HB3 PRO A 81 -4.202 -1.800 -8.996 1.00 2.12 H new ATOM 0 HG2 PRO A 81 -5.008 -2.818 -11.718 1.00 0.23 H new ATOM 0 HG3 PRO A 81 -5.987 -1.999 -10.518 1.00 0.23 H new ATOM 0 HD2 PRO A 81 -4.848 -0.715 -12.697 1.00 4.43 H new ATOM 0 HD3 PRO A 81 -5.296 0.111 -11.218 1.00 4.43 H new ATOM 1308 N ILE A 82 -1.013 -3.394 -10.781 1.00 42.23 N ATOM 1309 CA ILE A 82 -0.297 -4.514 -11.421 1.00 51.52 C ATOM 1310 C ILE A 82 -0.045 -5.647 -10.405 1.00 11.31 C ATOM 1311 O ILE A 82 0.397 -5.399 -9.280 1.00 51.20 O ATOM 1312 CB ILE A 82 1.071 -4.085 -12.031 1.00 70.31 C ATOM 1313 CG1 ILE A 82 1.952 -3.392 -10.976 1.00 72.33 C ATOM 1314 CG2 ILE A 82 0.872 -3.181 -13.245 1.00 12.30 C ATOM 1315 CD1 ILE A 82 3.329 -2.999 -11.477 1.00 74.52 C ATOM 0 H ILE A 82 -0.754 -3.248 -9.805 1.00 42.23 H new ATOM 0 HA ILE A 82 -0.939 -4.861 -12.231 1.00 51.52 H new ATOM 0 HB ILE A 82 1.584 -4.988 -12.363 1.00 70.31 H new ATOM 0 HG12 ILE A 82 1.439 -2.499 -10.620 1.00 72.33 H new ATOM 0 HG13 ILE A 82 2.065 -4.057 -10.120 1.00 72.33 H new ATOM 0 HG21 ILE A 82 1.843 -2.897 -13.650 1.00 12.30 H new ATOM 0 HG22 ILE A 82 0.303 -3.714 -14.006 1.00 12.30 H new ATOM 0 HG23 ILE A 82 0.328 -2.285 -12.946 1.00 12.30 H new ATOM 0 HD11 ILE A 82 3.885 -2.517 -10.673 1.00 74.52 H new ATOM 0 HD12 ILE A 82 3.865 -3.890 -11.805 1.00 74.52 H new ATOM 0 HD13 ILE A 82 3.228 -2.307 -12.313 1.00 74.52 H new ATOM 1327 N ALA A 83 -0.337 -6.888 -10.794 1.00 4.40 N ATOM 1328 CA ALA A 83 -0.117 -8.042 -9.914 1.00 52.31 C ATOM 1329 C ALA A 83 1.378 -8.389 -9.830 1.00 32.33 C ATOM 1330 O ALA A 83 1.987 -8.775 -10.829 1.00 42.11 O ATOM 1331 CB ALA A 83 -0.923 -9.240 -10.411 1.00 53.44 C ATOM 0 H ALA A 83 -0.725 -7.122 -11.708 1.00 4.40 H new ATOM 0 HA ALA A 83 -0.457 -7.784 -8.911 1.00 52.31 H new ATOM 0 HB1 ALA A 83 -0.753 -10.091 -9.752 1.00 53.44 H new ATOM 0 HB2 ALA A 83 -1.984 -8.989 -10.414 1.00 53.44 H new ATOM 0 HB3 ALA A 83 -0.608 -9.496 -11.423 1.00 53.44 H new ATOM 1337 N ASP A 84 1.967 -8.263 -8.638 1.00 3.31 N ATOM 1338 CA ASP A 84 3.417 -8.446 -8.482 1.00 73.52 C ATOM 1339 C ASP A 84 3.750 -9.761 -7.762 1.00 72.32 C ATOM 1340 O ASP A 84 4.136 -10.749 -8.393 1.00 10.22 O ATOM 1341 CB ASP A 84 4.011 -7.252 -7.730 1.00 72.43 C ATOM 1342 CG ASP A 84 5.532 -7.251 -7.743 1.00 63.13 C ATOM 1343 OD1 ASP A 84 6.116 -6.746 -8.721 1.00 62.23 O ATOM 1344 OD2 ASP A 84 6.145 -7.746 -6.777 1.00 31.41 O ATOM 0 H ASP A 84 1.472 -8.038 -7.775 1.00 3.31 H new ATOM 0 HA ASP A 84 3.861 -8.502 -9.476 1.00 73.52 H new ATOM 0 HB2 ASP A 84 3.647 -6.327 -8.178 1.00 72.43 H new ATOM 0 HB3 ASP A 84 3.660 -7.266 -6.698 1.00 72.43 H new ATOM 1522 N TRP A 98 -3.087 -12.129 -1.840 1.00 22.01 N ATOM 1523 CA TRP A 98 -2.063 -11.764 -2.832 1.00 40.32 C ATOM 1524 C TRP A 98 -1.790 -10.247 -2.861 1.00 1.25 C ATOM 1525 O TRP A 98 -2.619 -9.437 -2.429 1.00 23.13 O ATOM 1526 CB TRP A 98 -2.468 -12.272 -4.232 1.00 2.10 C ATOM 1527 CG TRP A 98 -3.792 -11.755 -4.744 1.00 62.42 C ATOM 1528 CD1 TRP A 98 -4.996 -11.761 -4.094 1.00 34.54 C ATOM 1529 CD2 TRP A 98 -4.047 -11.195 -6.040 1.00 33.14 C ATOM 1530 NE1 TRP A 98 -5.969 -11.209 -4.890 1.00 71.40 N ATOM 1531 CE2 TRP A 98 -5.415 -10.865 -6.092 1.00 24.44 C ATOM 1532 CE3 TRP A 98 -3.249 -10.937 -7.157 1.00 63.05 C ATOM 1533 CZ2 TRP A 98 -6.001 -10.286 -7.215 1.00 44.51 C ATOM 1534 CZ3 TRP A 98 -3.831 -10.365 -8.272 1.00 33.44 C ATOM 1535 CH2 TRP A 98 -5.198 -10.049 -8.298 1.00 44.14 C ATOM 0 HA TRP A 98 -1.134 -12.248 -2.532 1.00 40.32 H new ATOM 0 HB2 TRP A 98 -1.688 -11.994 -4.942 1.00 2.10 H new ATOM 0 HB3 TRP A 98 -2.505 -13.361 -4.209 1.00 2.10 H new ATOM 0 HD1 TRP A 98 -5.158 -12.145 -3.098 1.00 34.54 H new ATOM 0 HE1 TRP A 98 -6.946 -11.077 -4.628 1.00 71.40 H new ATOM 0 HE3 TRP A 98 -2.197 -11.180 -7.149 1.00 63.05 H new ATOM 0 HZ2 TRP A 98 -7.051 -10.033 -7.231 1.00 44.51 H new ATOM 0 HZ3 TRP A 98 -3.222 -10.157 -9.140 1.00 33.44 H new ATOM 0 HH2 TRP A 98 -5.624 -9.611 -9.188 1.00 44.14 H new ATOM 1546 N TYR A 99 -0.613 -9.878 -3.382 1.00 40.04 N ATOM 1547 CA TYR A 99 -0.132 -8.485 -3.339 1.00 10.22 C ATOM 1548 C TYR A 99 -0.102 -7.820 -4.734 1.00 31.21 C ATOM 1549 O TYR A 99 0.513 -8.329 -5.685 1.00 74.42 O ATOM 1550 CB TYR A 99 1.268 -8.439 -2.708 1.00 2.10 C ATOM 1551 CG TYR A 99 1.320 -8.953 -1.275 1.00 52.24 C ATOM 1552 CD1 TYR A 99 1.330 -10.318 -1.002 1.00 61.41 C ATOM 1553 CD2 TYR A 99 1.359 -8.072 -0.197 1.00 61.23 C ATOM 1554 CE1 TYR A 99 1.375 -10.790 0.296 1.00 21.35 C ATOM 1555 CE2 TYR A 99 1.406 -8.538 1.104 1.00 65.12 C ATOM 1556 CZ TYR A 99 1.413 -9.897 1.346 1.00 74.34 C ATOM 1557 OH TYR A 99 1.455 -10.365 2.644 1.00 51.32 O ATOM 0 H TYR A 99 0.028 -10.525 -3.841 1.00 40.04 H new ATOM 0 HA TYR A 99 -0.838 -7.919 -2.731 1.00 10.22 H new ATOM 0 HB2 TYR A 99 1.950 -9.029 -3.320 1.00 2.10 H new ATOM 0 HB3 TYR A 99 1.630 -7.411 -2.728 1.00 2.10 H new ATOM 0 HD1 TYR A 99 1.302 -11.022 -1.821 1.00 61.41 H new ATOM 0 HD2 TYR A 99 1.352 -7.008 -0.380 1.00 61.23 H new ATOM 0 HE1 TYR A 99 1.380 -11.853 0.487 1.00 21.35 H new ATOM 0 HE2 TYR A 99 1.437 -7.841 1.928 1.00 65.12 H new ATOM 0 HH TYR A 99 1.479 -9.607 3.264 1.00 51.32 H new ATOM 1567 N ILE A 100 -0.757 -6.665 -4.834 1.00 75.41 N ATOM 1568 CA ILE A 100 -0.814 -5.881 -6.073 1.00 63.35 C ATOM 1569 C ILE A 100 -0.133 -4.513 -5.890 1.00 4.11 C ATOM 1570 O ILE A 100 -0.480 -3.757 -4.987 1.00 20.41 O ATOM 1571 CB ILE A 100 -2.287 -5.646 -6.510 1.00 32.53 C ATOM 1572 CG1 ILE A 100 -3.016 -6.986 -6.704 1.00 42.40 C ATOM 1573 CG2 ILE A 100 -2.355 -4.804 -7.784 1.00 22.00 C ATOM 1574 CD1 ILE A 100 -4.469 -6.835 -7.098 1.00 71.50 C ATOM 0 H ILE A 100 -1.266 -6.242 -4.057 1.00 75.41 H new ATOM 0 HA ILE A 100 -0.289 -6.450 -6.840 1.00 63.35 H new ATOM 0 HB ILE A 100 -2.789 -5.094 -5.716 1.00 32.53 H new ATOM 0 HG12 ILE A 100 -2.499 -7.564 -7.470 1.00 42.40 H new ATOM 0 HG13 ILE A 100 -2.957 -7.559 -5.779 1.00 42.40 H new ATOM 0 HG21 ILE A 100 -3.397 -4.655 -8.067 1.00 22.00 H new ATOM 0 HG22 ILE A 100 -1.886 -3.836 -7.606 1.00 22.00 H new ATOM 0 HG23 ILE A 100 -1.831 -5.319 -8.589 1.00 22.00 H new ATOM 0 HD11 ILE A 100 -4.918 -7.821 -7.217 1.00 71.50 H new ATOM 0 HD12 ILE A 100 -5.001 -6.285 -6.322 1.00 71.50 H new ATOM 0 HD13 ILE A 100 -4.536 -6.290 -8.039 1.00 71.50 H new ATOM 1586 N LYS A 101 0.835 -4.194 -6.741 1.00 71.13 N ATOM 1587 CA LYS A 101 1.482 -2.876 -6.703 1.00 62.11 C ATOM 1588 C LYS A 101 0.733 -1.905 -7.624 1.00 45.30 C ATOM 1589 O LYS A 101 0.248 -2.301 -8.676 1.00 54.32 O ATOM 1590 CB LYS A 101 2.960 -2.991 -7.111 1.00 3.01 C ATOM 1591 CG LYS A 101 3.760 -3.907 -6.191 1.00 32.03 C ATOM 1592 CD LYS A 101 5.224 -4.035 -6.615 1.00 22.23 C ATOM 1593 CE LYS A 101 5.982 -2.718 -6.487 1.00 13.11 C ATOM 1594 NZ LYS A 101 7.445 -2.899 -6.678 1.00 31.14 N ATOM 0 H LYS A 101 1.191 -4.820 -7.463 1.00 71.13 H new ATOM 0 HA LYS A 101 1.445 -2.489 -5.685 1.00 62.11 H new ATOM 0 HB2 LYS A 101 3.022 -3.367 -8.132 1.00 3.01 H new ATOM 0 HB3 LYS A 101 3.411 -1.999 -7.109 1.00 3.01 H new ATOM 0 HG2 LYS A 101 3.713 -3.523 -5.172 1.00 32.03 H new ATOM 0 HG3 LYS A 101 3.301 -4.896 -6.180 1.00 32.03 H new ATOM 0 HD2 LYS A 101 5.712 -4.793 -6.003 1.00 22.23 H new ATOM 0 HD3 LYS A 101 5.272 -4.380 -7.648 1.00 22.23 H new ATOM 0 HE2 LYS A 101 5.605 -2.009 -7.224 1.00 13.11 H new ATOM 0 HE3 LYS A 101 5.795 -2.286 -5.504 1.00 13.11 H new ATOM 0 HZ1 LYS A 101 7.924 -1.981 -6.583 1.00 31.14 H new ATOM 0 HZ2 LYS A 101 7.810 -3.556 -5.959 1.00 31.14 H new ATOM 0 HZ3 LYS A 101 7.626 -3.288 -7.626 1.00 31.14 H new ATOM 1608 N ALA A 102 0.619 -0.641 -7.231 1.00 35.35 N ATOM 1609 CA ALA A 102 -0.195 0.308 -8.000 1.00 10.10 C ATOM 1610 C ALA A 102 0.477 1.675 -8.170 1.00 31.34 C ATOM 1611 O ALA A 102 1.447 2.007 -7.488 1.00 3.20 O ATOM 1612 CB ALA A 102 -1.562 0.478 -7.341 1.00 70.03 C ATOM 0 H ALA A 102 1.068 -0.250 -6.403 1.00 35.35 H new ATOM 0 HA ALA A 102 -0.311 -0.114 -8.998 1.00 10.10 H new ATOM 0 HB1 ALA A 102 -2.159 1.184 -7.918 1.00 70.03 H new ATOM 0 HB2 ALA A 102 -2.071 -0.485 -7.306 1.00 70.03 H new ATOM 0 HB3 ALA A 102 -1.433 0.857 -6.327 1.00 70.03 H new ATOM 1618 N ASP A 103 -0.045 2.450 -9.118 1.00 11.02 N ATOM 1619 CA ASP A 103 0.370 3.839 -9.315 1.00 12.32 C ATOM 1620 C ASP A 103 -0.013 4.706 -8.098 1.00 31.31 C ATOM 1621 O ASP A 103 0.847 5.315 -7.459 1.00 4.02 O ATOM 1622 CB ASP A 103 -0.283 4.396 -10.586 1.00 75.33 C ATOM 1623 CG ASP A 103 0.045 5.859 -10.829 1.00 53.33 C ATOM 1624 OD1 ASP A 103 1.240 6.220 -10.820 1.00 51.32 O ATOM 1625 OD2 ASP A 103 -0.896 6.656 -11.027 1.00 61.43 O ATOM 0 H ASP A 103 -0.764 2.136 -9.769 1.00 11.02 H new ATOM 0 HA ASP A 103 1.454 3.866 -9.422 1.00 12.32 H new ATOM 0 HB2 ASP A 103 0.045 3.809 -11.444 1.00 75.33 H new ATOM 0 HB3 ASP A 103 -1.364 4.279 -10.514 1.00 75.33 H new ATOM 1630 N ASP A 104 -1.312 4.748 -7.789 1.00 14.31 N ATOM 1631 CA ASP A 104 -1.823 5.542 -6.664 1.00 24.34 C ATOM 1632 C ASP A 104 -3.260 5.125 -6.284 1.00 50.34 C ATOM 1633 O ASP A 104 -3.954 4.458 -7.061 1.00 34.20 O ATOM 1634 CB ASP A 104 -1.774 7.036 -7.019 1.00 41.12 C ATOM 1635 CG ASP A 104 -2.227 7.929 -5.877 1.00 4.50 C ATOM 1636 OD1 ASP A 104 -1.808 7.690 -4.726 1.00 75.21 O ATOM 1637 OD2 ASP A 104 -3.005 8.871 -6.123 1.00 42.02 O ATOM 0 H ASP A 104 -2.032 4.240 -8.303 1.00 14.31 H new ATOM 0 HA ASP A 104 -1.188 5.356 -5.798 1.00 24.34 H new ATOM 0 HB2 ASP A 104 -0.756 7.304 -7.302 1.00 41.12 H new ATOM 0 HB3 ASP A 104 -2.405 7.219 -7.889 1.00 41.12 H new ATOM 1642 N ILE A 105 -3.690 5.524 -5.080 1.00 51.22 N ATOM 1643 CA ILE A 105 -5.026 5.183 -4.559 1.00 62.32 C ATOM 1644 C ILE A 105 -5.851 6.453 -4.266 1.00 32.44 C ATOM 1645 O ILE A 105 -5.418 7.318 -3.507 1.00 35.44 O ATOM 1646 CB ILE A 105 -4.922 4.358 -3.246 1.00 44.52 C ATOM 1647 CG1 ILE A 105 -3.996 3.143 -3.437 1.00 74.20 C ATOM 1648 CG2 ILE A 105 -6.310 3.910 -2.778 1.00 63.35 C ATOM 1649 CD1 ILE A 105 -3.788 2.321 -2.177 1.00 44.13 C ATOM 0 H ILE A 105 -3.129 6.088 -4.442 1.00 51.22 H new ATOM 0 HA ILE A 105 -5.521 4.591 -5.329 1.00 62.32 H new ATOM 0 HB ILE A 105 -4.491 4.997 -2.476 1.00 44.52 H new ATOM 0 HG12 ILE A 105 -4.412 2.501 -4.213 1.00 74.20 H new ATOM 0 HG13 ILE A 105 -3.027 3.490 -3.796 1.00 74.20 H new ATOM 0 HG21 ILE A 105 -6.215 3.334 -1.858 1.00 63.35 H new ATOM 0 HG22 ILE A 105 -6.933 4.786 -2.596 1.00 63.35 H new ATOM 0 HG23 ILE A 105 -6.771 3.291 -3.548 1.00 63.35 H new ATOM 0 HD11 ILE A 105 -3.124 1.484 -2.394 1.00 44.13 H new ATOM 0 HD12 ILE A 105 -3.342 2.947 -1.404 1.00 44.13 H new ATOM 0 HD13 ILE A 105 -4.748 1.942 -1.827 1.00 44.13 H new ATOM 1661 N VAL A 106 -7.044 6.553 -4.853 1.00 4.34 N ATOM 1662 CA VAL A 106 -7.929 7.710 -4.630 1.00 31.54 C ATOM 1663 C VAL A 106 -9.303 7.268 -4.101 1.00 43.40 C ATOM 1664 O VAL A 106 -9.546 6.080 -3.924 1.00 63.41 O ATOM 1665 CB VAL A 106 -8.121 8.528 -5.932 1.00 62.34 C ATOM 1666 CG1 VAL A 106 -6.806 9.172 -6.364 1.00 32.40 C ATOM 1667 CG2 VAL A 106 -8.685 7.645 -7.046 1.00 74.33 C ATOM 0 H VAL A 106 -7.425 5.850 -5.487 1.00 4.34 H new ATOM 0 HA VAL A 106 -7.447 8.339 -3.882 1.00 31.54 H new ATOM 0 HB VAL A 106 -8.839 9.324 -5.733 1.00 62.34 H new ATOM 0 HG11 VAL A 106 -6.963 9.741 -7.280 1.00 32.40 H new ATOM 0 HG12 VAL A 106 -6.452 9.839 -5.578 1.00 32.40 H new ATOM 0 HG13 VAL A 106 -6.062 8.396 -6.543 1.00 32.40 H new ATOM 0 HG21 VAL A 106 -8.812 8.238 -7.951 1.00 74.33 H new ATOM 0 HG22 VAL A 106 -7.996 6.824 -7.244 1.00 74.33 H new ATOM 0 HG23 VAL A 106 -9.650 7.242 -6.738 1.00 74.33 H new ATOM 1677 N LEU A 107 -10.194 8.227 -3.844 1.00 10.45 N ATOM 1678 CA LEU A 107 -11.552 7.909 -3.371 1.00 4.31 C ATOM 1679 C LEU A 107 -12.472 7.509 -4.539 1.00 63.35 C ATOM 1680 O LEU A 107 -12.284 7.953 -5.671 1.00 75.14 O ATOM 1681 CB LEU A 107 -12.159 9.104 -2.617 1.00 1.14 C ATOM 1682 CG LEU A 107 -11.439 9.505 -1.319 1.00 51.43 C ATOM 1683 CD1 LEU A 107 -12.109 10.723 -0.681 1.00 32.12 C ATOM 1684 CD2 LEU A 107 -11.399 8.334 -0.333 1.00 70.44 C ATOM 0 H LEU A 107 -10.007 9.224 -3.953 1.00 10.45 H new ATOM 0 HA LEU A 107 -11.471 7.062 -2.690 1.00 4.31 H new ATOM 0 HB2 LEU A 107 -12.171 9.965 -3.286 1.00 1.14 H new ATOM 0 HB3 LEU A 107 -13.197 8.871 -2.379 1.00 1.14 H new ATOM 0 HG LEU A 107 -10.413 9.772 -1.572 1.00 51.43 H new ATOM 0 HD11 LEU A 107 -11.583 10.989 0.236 1.00 32.12 H new ATOM 0 HD12 LEU A 107 -12.075 11.562 -1.375 1.00 32.12 H new ATOM 0 HD13 LEU A 107 -13.147 10.487 -0.448 1.00 32.12 H new ATOM 0 HD21 LEU A 107 -10.885 8.642 0.577 1.00 70.44 H new ATOM 0 HD22 LEU A 107 -12.417 8.029 -0.089 1.00 70.44 H new ATOM 0 HD23 LEU A 107 -10.867 7.496 -0.784 1.00 70.44 H new ATOM 1696 N THR A 108 -13.475 6.676 -4.251 1.00 25.00 N ATOM 1697 CA THR A 108 -14.412 6.201 -5.281 1.00 24.32 C ATOM 1698 C THR A 108 -15.385 7.301 -5.722 1.00 70.44 C ATOM 1699 O THR A 108 -16.033 7.945 -4.891 1.00 10.31 O ATOM 1700 CB THR A 108 -15.240 4.984 -4.792 1.00 73.52 C ATOM 1701 OG1 THR A 108 -14.374 3.972 -4.258 1.00 61.42 O ATOM 1702 CG2 THR A 108 -16.071 4.388 -5.926 1.00 12.55 C ATOM 0 H THR A 108 -13.662 6.315 -3.316 1.00 25.00 H new ATOM 0 HA THR A 108 -13.794 5.904 -6.128 1.00 24.32 H new ATOM 0 HB THR A 108 -15.914 5.338 -4.012 1.00 73.52 H new ATOM 0 HG1 THR A 108 -14.910 3.211 -3.952 1.00 61.42 H new ATOM 0 HG21 THR A 108 -16.640 3.537 -5.552 1.00 12.55 H new ATOM 0 HG22 THR A 108 -16.757 5.143 -6.310 1.00 12.55 H new ATOM 0 HG23 THR A 108 -15.410 4.058 -6.727 1.00 12.55 H new