USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 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 45 THR OG1 : rot -76:sc= 0.961 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0.843 USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= -1.52! (180deg=-3.04!) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00731 USER MOD Single : A 31 GLN : amide:sc= 0.828 K(o=0.83,f=-0.26) USER MOD Single : A 32 ASN : amide:sc= -2.99! C(o=-3!,f=-11!) USER MOD Single : A 36 SER OG : rot 80:sc= 0.055 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00209 USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.126 (180deg=-0.621) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.855 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 158:sc= -0.189 (180deg=-0.845) USER MOD Single : A 58 GLN : amide:sc= -0.734 X(o=-0.73,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.23) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.011) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= 0.75 (180deg=-0.317) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0317 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.103 -1.366 -4.354 1.00 64.02 N ATOM 282 CA LEU A 19 -12.966 -1.404 -3.433 1.00 11.05 C ATOM 283 C LEU A 19 -13.160 -0.396 -2.292 1.00 75.42 C ATOM 284 O LEU A 19 -13.525 0.760 -2.524 1.00 51.43 O ATOM 285 CB LEU A 19 -11.659 -1.106 -4.186 1.00 15.41 C ATOM 286 CG LEU A 19 -11.309 -2.081 -5.323 1.00 73.30 C ATOM 287 CD1 LEU A 19 -10.023 -1.650 -6.025 1.00 20.54 C ATOM 288 CD2 LEU A 19 -11.184 -3.511 -4.796 1.00 40.11 C ATOM 0 HA LEU A 19 -12.905 -2.404 -3.004 1.00 11.05 H new ATOM 0 HB2 LEU A 19 -11.721 -0.100 -4.601 1.00 15.41 H new ATOM 0 HB3 LEU A 19 -10.839 -1.105 -3.468 1.00 15.41 H new ATOM 0 HG LEU A 19 -12.120 -2.059 -6.050 1.00 73.30 H new ATOM 0 HD11 LEU A 19 -9.793 -2.353 -6.826 1.00 20.54 H new ATOM 0 HD12 LEU A 19 -10.154 -0.652 -6.444 1.00 20.54 H new ATOM 0 HD13 LEU A 19 -9.203 -1.637 -5.307 1.00 20.54 H new ATOM 0 HD21 LEU A 19 -10.936 -4.182 -5.619 1.00 40.11 H new ATOM 0 HD22 LEU A 19 -10.397 -3.554 -4.043 1.00 40.11 H new ATOM 0 HD23 LEU A 19 -12.130 -3.818 -4.350 1.00 40.11 H new ATOM 300 N LYS A 20 -12.925 -0.839 -1.064 1.00 42.13 N ATOM 301 CA LYS A 20 -13.138 0.002 0.118 1.00 3.10 C ATOM 302 C LYS A 20 -11.978 -0.130 1.112 1.00 65.20 C ATOM 303 O LYS A 20 -11.447 -1.223 1.315 1.00 13.35 O ATOM 304 CB LYS A 20 -14.472 -0.376 0.778 1.00 72.31 C ATOM 305 CG LYS A 20 -15.695 0.053 -0.038 1.00 51.31 C ATOM 306 CD LYS A 20 -16.971 -0.671 0.390 1.00 12.50 C ATOM 307 CE LYS A 20 -17.064 -2.078 -0.204 1.00 73.23 C ATOM 308 NZ LYS A 20 -15.970 -2.974 0.263 1.00 45.42 N ATOM 0 H LYS A 20 -12.586 -1.778 -0.855 1.00 42.13 H new ATOM 0 HA LYS A 20 -13.176 1.045 -0.195 1.00 3.10 H new ATOM 0 HB2 LYS A 20 -14.503 -1.455 0.926 1.00 72.31 H new ATOM 0 HB3 LYS A 20 -14.524 0.083 1.765 1.00 72.31 H new ATOM 0 HG2 LYS A 20 -15.839 1.128 0.068 1.00 51.31 H new ATOM 0 HG3 LYS A 20 -15.509 -0.141 -1.094 1.00 51.31 H new ATOM 0 HD2 LYS A 20 -17.003 -0.735 1.478 1.00 12.50 H new ATOM 0 HD3 LYS A 20 -17.839 -0.089 0.079 1.00 12.50 H new ATOM 0 HE2 LYS A 20 -18.026 -2.517 0.062 1.00 73.23 H new ATOM 0 HE3 LYS A 20 -17.034 -2.011 -1.292 1.00 73.23 H new ATOM 0 HZ1 LYS A 20 -16.288 -3.963 0.217 1.00 45.42 H new ATOM 0 HZ2 LYS A 20 -15.136 -2.850 -0.346 1.00 45.42 H new ATOM 0 HZ3 LYS A 20 -15.721 -2.736 1.244 1.00 45.42 H new ATOM 322 N PHE A 21 -11.590 0.987 1.721 1.00 52.14 N ATOM 323 CA PHE A 21 -10.451 1.020 2.649 1.00 65.45 C ATOM 324 C PHE A 21 -10.714 0.190 3.918 1.00 31.40 C ATOM 325 O PHE A 21 -11.792 0.265 4.513 1.00 73.14 O ATOM 326 CB PHE A 21 -10.128 2.473 3.025 1.00 21.03 C ATOM 327 CG PHE A 21 -8.912 2.625 3.909 1.00 13.42 C ATOM 328 CD1 PHE A 21 -7.636 2.607 3.362 1.00 73.10 C ATOM 329 CD2 PHE A 21 -9.045 2.786 5.281 1.00 54.50 C ATOM 330 CE1 PHE A 21 -6.519 2.749 4.166 1.00 31.31 C ATOM 331 CE2 PHE A 21 -7.932 2.925 6.088 1.00 42.25 C ATOM 332 CZ PHE A 21 -6.668 2.907 5.531 1.00 2.12 C ATOM 0 H PHE A 21 -12.047 1.889 1.591 1.00 52.14 H new ATOM 0 HA PHE A 21 -9.597 0.573 2.140 1.00 65.45 H new ATOM 0 HB2 PHE A 21 -9.974 3.048 2.112 1.00 21.03 H new ATOM 0 HB3 PHE A 21 -10.990 2.906 3.533 1.00 21.03 H new ATOM 0 HD1 PHE A 21 -7.514 2.481 2.296 1.00 73.10 H new ATOM 0 HD2 PHE A 21 -10.030 2.803 5.723 1.00 54.50 H new ATOM 0 HE1 PHE A 21 -5.532 2.736 3.728 1.00 31.31 H new ATOM 0 HE2 PHE A 21 -8.050 3.048 7.154 1.00 42.25 H new ATOM 0 HZ PHE A 21 -5.798 3.016 6.161 1.00 2.12 H new ATOM 342 N SER A 22 -9.720 -0.599 4.330 1.00 72.14 N ATOM 343 CA SER A 22 -9.829 -1.413 5.553 1.00 33.12 C ATOM 344 C SER A 22 -8.805 -0.976 6.611 1.00 21.43 C ATOM 345 O SER A 22 -9.172 -0.508 7.689 1.00 31.11 O ATOM 346 CB SER A 22 -9.612 -2.902 5.231 1.00 53.34 C ATOM 347 OG SER A 22 -10.501 -3.357 4.222 1.00 10.35 O ATOM 0 H SER A 22 -8.831 -0.695 3.840 1.00 72.14 H new ATOM 0 HA SER A 22 -10.832 -1.264 5.952 1.00 33.12 H new ATOM 0 HB2 SER A 22 -8.583 -3.058 4.906 1.00 53.34 H new ATOM 0 HB3 SER A 22 -9.754 -3.494 6.135 1.00 53.34 H new ATOM 0 HG SER A 22 -10.334 -4.306 4.042 1.00 10.35 H new ATOM 353 N ALA A 23 -7.520 -1.134 6.294 1.00 34.31 N ATOM 354 CA ALA A 23 -6.436 -0.793 7.225 1.00 14.34 C ATOM 355 C ALA A 23 -5.096 -0.597 6.493 1.00 63.55 C ATOM 356 O ALA A 23 -5.040 -0.586 5.262 1.00 40.45 O ATOM 357 CB ALA A 23 -6.301 -1.883 8.289 1.00 13.42 C ATOM 0 H ALA A 23 -7.200 -1.497 5.396 1.00 34.31 H new ATOM 0 HA ALA A 23 -6.691 0.153 7.703 1.00 14.34 H new ATOM 0 HB1 ALA A 23 -5.495 -1.623 8.976 1.00 13.42 H new ATOM 0 HB2 ALA A 23 -7.236 -1.969 8.843 1.00 13.42 H new ATOM 0 HB3 ALA A 23 -6.075 -2.835 7.808 1.00 13.42 H new ATOM 363 N LEU A 24 -4.023 -0.413 7.261 1.00 24.55 N ATOM 364 CA LEU A 24 -2.659 -0.403 6.715 1.00 12.11 C ATOM 365 C LEU A 24 -1.964 -1.744 7.000 1.00 51.13 C ATOM 366 O LEU A 24 -1.914 -2.189 8.147 1.00 12.14 O ATOM 367 CB LEU A 24 -1.845 0.747 7.330 1.00 25.44 C ATOM 368 CG LEU A 24 -0.404 0.883 6.807 1.00 61.52 C ATOM 369 CD1 LEU A 24 -0.401 1.248 5.326 1.00 0.24 C ATOM 370 CD2 LEU A 24 0.379 1.908 7.628 1.00 43.54 C ATOM 0 H LEU A 24 -4.069 -0.268 8.270 1.00 24.55 H new ATOM 0 HA LEU A 24 -2.719 -0.255 5.637 1.00 12.11 H new ATOM 0 HB2 LEU A 24 -2.372 1.683 7.145 1.00 25.44 H new ATOM 0 HB3 LEU A 24 -1.811 0.609 8.411 1.00 25.44 H new ATOM 0 HG LEU A 24 0.092 -0.081 6.918 1.00 61.52 H new ATOM 0 HD11 LEU A 24 0.627 1.339 4.976 1.00 0.24 H new ATOM 0 HD12 LEU A 24 -0.910 0.469 4.758 1.00 0.24 H new ATOM 0 HD13 LEU A 24 -0.918 2.197 5.184 1.00 0.24 H new ATOM 0 HD21 LEU A 24 1.394 1.986 7.239 1.00 43.54 H new ATOM 0 HD22 LEU A 24 -0.111 2.879 7.561 1.00 43.54 H new ATOM 0 HD23 LEU A 24 0.413 1.590 8.670 1.00 43.54 H new ATOM 382 N ARG A 25 -1.424 -2.380 5.962 1.00 32.54 N ATOM 383 CA ARG A 25 -0.780 -3.693 6.106 1.00 50.13 C ATOM 384 C ARG A 25 0.646 -3.575 6.666 1.00 44.23 C ATOM 385 O ARG A 25 0.918 -3.977 7.801 1.00 34.15 O ATOM 386 CB ARG A 25 -0.743 -4.411 4.746 1.00 73.05 C ATOM 387 CG ARG A 25 -0.023 -5.765 4.764 1.00 4.02 C ATOM 388 CD ARG A 25 -0.791 -6.821 5.553 1.00 44.43 C ATOM 389 NE ARG A 25 -2.150 -6.978 5.049 1.00 71.22 N ATOM 390 CZ ARG A 25 -2.821 -8.092 5.031 1.00 75.40 C ATOM 391 NH1 ARG A 25 -2.291 -9.199 5.449 1.00 53.45 N ATOM 392 NH2 ARG A 25 -4.029 -8.092 4.568 1.00 42.52 N ATOM 0 H ARG A 25 -1.417 -2.011 5.011 1.00 32.54 H new ATOM 0 HA ARG A 25 -1.371 -4.272 6.816 1.00 50.13 H new ATOM 0 HB2 ARG A 25 -1.766 -4.562 4.400 1.00 73.05 H new ATOM 0 HB3 ARG A 25 -0.253 -3.762 4.020 1.00 73.05 H new ATOM 0 HG2 ARG A 25 0.119 -6.112 3.740 1.00 4.02 H new ATOM 0 HG3 ARG A 25 0.969 -5.640 5.199 1.00 4.02 H new ATOM 0 HD2 ARG A 25 -0.267 -7.775 5.493 1.00 44.43 H new ATOM 0 HD3 ARG A 25 -0.822 -6.540 6.606 1.00 44.43 H new ATOM 0 HE ARG A 25 -2.612 -6.147 4.681 1.00 71.22 H new ATOM 0 HH11 ARG A 25 -1.333 -9.205 5.799 1.00 53.45 H new ATOM 0 HH12 ARG A 25 -2.832 -10.063 5.428 1.00 53.45 H new ATOM 0 HH21 ARG A 25 -4.443 -7.226 4.223 1.00 42.52 H new ATOM 0 HH22 ARG A 25 -4.567 -8.958 4.548 1.00 42.52 H new ATOM 406 N ARG A 26 1.552 -3.012 5.868 1.00 41.21 N ATOM 407 CA ARG A 26 2.978 -3.004 6.207 1.00 1.44 C ATOM 408 C ARG A 26 3.766 -1.977 5.383 1.00 64.14 C ATOM 409 O ARG A 26 3.459 -1.731 4.218 1.00 43.34 O ATOM 410 CB ARG A 26 3.557 -4.410 5.980 1.00 23.13 C ATOM 411 CG ARG A 26 5.068 -4.510 6.174 1.00 70.13 C ATOM 412 CD ARG A 26 5.545 -5.957 6.131 1.00 23.51 C ATOM 413 NE ARG A 26 4.994 -6.750 7.232 1.00 43.12 N ATOM 414 CZ ARG A 26 4.958 -8.057 7.255 1.00 32.21 C ATOM 415 NH1 ARG A 26 5.345 -8.747 6.228 1.00 71.55 N ATOM 416 NH2 ARG A 26 4.508 -8.677 8.298 1.00 14.31 N ATOM 0 H ARG A 26 1.327 -2.556 4.984 1.00 41.21 H new ATOM 0 HA ARG A 26 3.073 -2.717 7.254 1.00 1.44 H new ATOM 0 HB2 ARG A 26 3.069 -5.105 6.663 1.00 23.13 H new ATOM 0 HB3 ARG A 26 3.311 -4.732 4.968 1.00 23.13 H new ATOM 0 HG2 ARG A 26 5.574 -3.936 5.397 1.00 70.13 H new ATOM 0 HG3 ARG A 26 5.343 -4.064 7.130 1.00 70.13 H new ATOM 0 HD2 ARG A 26 5.256 -6.406 5.181 1.00 23.51 H new ATOM 0 HD3 ARG A 26 6.634 -5.981 6.176 1.00 23.51 H new ATOM 0 HE ARG A 26 4.613 -6.249 8.035 1.00 43.12 H new ATOM 0 HH11 ARG A 26 5.682 -8.271 5.391 1.00 71.55 H new ATOM 0 HH12 ARG A 26 5.313 -9.766 6.257 1.00 71.55 H new ATOM 0 HH21 ARG A 26 4.180 -8.146 9.105 1.00 14.31 H new ATOM 0 HH22 ARG A 26 4.481 -9.697 8.313 1.00 14.31 H new ATOM 430 N GLU A 27 4.781 -1.380 6.001 1.00 20.23 N ATOM 431 CA GLU A 27 5.695 -0.465 5.307 1.00 62.11 C ATOM 432 C GLU A 27 7.064 -1.126 5.078 1.00 1.54 C ATOM 433 O GLU A 27 7.872 -1.246 6.005 1.00 14.13 O ATOM 434 CB GLU A 27 5.864 0.829 6.116 1.00 44.24 C ATOM 435 CG GLU A 27 4.557 1.575 6.367 1.00 14.02 C ATOM 436 CD GLU A 27 4.746 2.828 7.206 1.00 52.22 C ATOM 437 OE1 GLU A 27 5.229 3.843 6.664 1.00 24.21 O ATOM 438 OE2 GLU A 27 4.409 2.805 8.407 1.00 21.54 O ATOM 0 H GLU A 27 4.996 -1.512 6.989 1.00 20.23 H new ATOM 0 HA GLU A 27 5.264 -0.224 4.335 1.00 62.11 H new ATOM 0 HB2 GLU A 27 6.324 0.589 7.075 1.00 44.24 H new ATOM 0 HB3 GLU A 27 6.552 1.489 5.588 1.00 44.24 H new ATOM 0 HG2 GLU A 27 4.110 1.847 5.411 1.00 14.02 H new ATOM 0 HG3 GLU A 27 3.855 0.910 6.869 1.00 14.02 H new ATOM 445 N VAL A 28 7.322 -1.568 3.848 1.00 63.32 N ATOM 446 CA VAL A 28 8.598 -2.214 3.517 1.00 45.21 C ATOM 447 C VAL A 28 9.727 -1.175 3.373 1.00 22.42 C ATOM 448 O VAL A 28 9.752 -0.383 2.431 1.00 51.14 O ATOM 449 CB VAL A 28 8.492 -3.084 2.234 1.00 63.15 C ATOM 450 CG1 VAL A 28 7.578 -4.284 2.479 1.00 0.11 C ATOM 451 CG2 VAL A 28 7.993 -2.268 1.038 1.00 44.31 C ATOM 0 H VAL A 28 6.671 -1.493 3.066 1.00 63.32 H new ATOM 0 HA VAL A 28 8.843 -2.877 4.347 1.00 45.21 H new ATOM 0 HB VAL A 28 9.493 -3.444 1.994 1.00 63.15 H new ATOM 0 HG11 VAL A 28 7.514 -4.884 1.571 1.00 0.11 H new ATOM 0 HG12 VAL A 28 7.984 -4.892 3.287 1.00 0.11 H new ATOM 0 HG13 VAL A 28 6.583 -3.934 2.753 1.00 0.11 H new ATOM 0 HG21 VAL A 28 7.932 -2.910 0.159 1.00 44.31 H new ATOM 0 HG22 VAL A 28 7.006 -1.863 1.261 1.00 44.31 H new ATOM 0 HG23 VAL A 28 8.686 -1.450 0.842 1.00 44.31 H new ATOM 461 N ARG A 29 10.654 -1.179 4.327 1.00 15.42 N ATOM 462 CA ARG A 29 11.723 -0.174 4.376 1.00 70.25 C ATOM 463 C ARG A 29 12.991 -0.647 3.645 1.00 13.34 C ATOM 464 O ARG A 29 13.096 -1.810 3.250 1.00 63.35 O ATOM 465 CB ARG A 29 12.040 0.174 5.836 1.00 34.25 C ATOM 466 CG ARG A 29 10.797 0.533 6.645 1.00 64.41 C ATOM 467 CD ARG A 29 11.136 0.951 8.068 1.00 35.13 C ATOM 468 NE ARG A 29 11.699 2.297 8.140 1.00 35.54 N ATOM 469 CZ ARG A 29 12.207 2.821 9.222 1.00 3.21 C ATOM 470 NH1 ARG A 29 12.313 2.124 10.312 1.00 1.33 N ATOM 471 NH2 ARG A 29 12.618 4.044 9.211 1.00 44.01 N ATOM 0 H ARG A 29 10.690 -1.866 5.080 1.00 15.42 H new ATOM 0 HA ARG A 29 11.370 0.718 3.859 1.00 70.25 H new ATOM 0 HB2 ARG A 29 12.541 -0.673 6.305 1.00 34.25 H new ATOM 0 HB3 ARG A 29 12.738 1.011 5.861 1.00 34.25 H new ATOM 0 HG2 ARG A 29 10.264 1.343 6.148 1.00 64.41 H new ATOM 0 HG3 ARG A 29 10.123 -0.323 6.671 1.00 64.41 H new ATOM 0 HD2 ARG A 29 10.235 0.905 8.680 1.00 35.13 H new ATOM 0 HD3 ARG A 29 11.846 0.241 8.492 1.00 35.13 H new ATOM 0 HE ARG A 29 11.695 2.863 7.291 1.00 35.54 H new ATOM 0 HH11 ARG A 29 11.997 1.154 10.330 1.00 1.33 H new ATOM 0 HH12 ARG A 29 12.712 2.546 11.150 1.00 1.33 H new ATOM 0 HH21 ARG A 29 12.545 4.599 8.358 1.00 44.01 H new ATOM 0 HH22 ARG A 29 13.015 4.456 10.055 1.00 44.01 H new ATOM 485 N ILE A 30 13.945 0.263 3.462 1.00 60.51 N ATOM 486 CA ILE A 30 15.202 -0.058 2.771 1.00 44.55 C ATOM 487 C ILE A 30 16.190 -0.760 3.717 1.00 22.23 C ATOM 488 O ILE A 30 16.240 -0.460 4.907 1.00 40.10 O ATOM 489 CB ILE A 30 15.868 1.223 2.195 1.00 54.21 C ATOM 490 CG1 ILE A 30 14.880 1.985 1.295 1.00 2.52 C ATOM 491 CG2 ILE A 30 17.147 0.871 1.424 1.00 52.14 C ATOM 492 CD1 ILE A 30 15.450 3.254 0.693 1.00 73.22 C ATOM 0 H ILE A 30 13.876 1.230 3.781 1.00 60.51 H new ATOM 0 HA ILE A 30 14.954 -0.731 1.950 1.00 44.55 H new ATOM 0 HB ILE A 30 16.143 1.871 3.027 1.00 54.21 H new ATOM 0 HG12 ILE A 30 14.556 1.326 0.489 1.00 2.52 H new ATOM 0 HG13 ILE A 30 13.994 2.237 1.877 1.00 2.52 H new ATOM 0 HG21 ILE A 30 17.597 1.782 1.030 1.00 52.14 H new ATOM 0 HG22 ILE A 30 17.852 0.379 2.094 1.00 52.14 H new ATOM 0 HG23 ILE A 30 16.902 0.201 0.600 1.00 52.14 H new ATOM 0 HD11 ILE A 30 14.694 3.734 0.072 1.00 73.22 H new ATOM 0 HD12 ILE A 30 15.748 3.933 1.491 1.00 73.22 H new ATOM 0 HD13 ILE A 30 16.319 3.009 0.082 1.00 73.22 H new ATOM 504 N GLN A 31 16.963 -1.709 3.190 1.00 30.10 N ATOM 505 CA GLN A 31 17.993 -2.397 3.985 1.00 61.42 C ATOM 506 C GLN A 31 19.408 -1.997 3.522 1.00 60.23 C ATOM 507 O GLN A 31 19.697 -1.976 2.324 1.00 60.31 O ATOM 508 CB GLN A 31 17.806 -3.920 3.901 1.00 4.34 C ATOM 509 CG GLN A 31 18.741 -4.701 4.821 1.00 13.03 C ATOM 510 CD GLN A 31 18.460 -6.197 4.840 1.00 24.14 C ATOM 511 OE1 GLN A 31 18.019 -6.779 3.851 1.00 25.02 O ATOM 512 NE2 GLN A 31 18.704 -6.826 5.972 1.00 64.45 N ATOM 0 H GLN A 31 16.900 -2.022 2.221 1.00 30.10 H new ATOM 0 HA GLN A 31 17.881 -2.090 5.025 1.00 61.42 H new ATOM 0 HB2 GLN A 31 16.774 -4.166 4.152 1.00 4.34 H new ATOM 0 HB3 GLN A 31 17.969 -4.242 2.872 1.00 4.34 H new ATOM 0 HG2 GLN A 31 19.771 -4.536 4.505 1.00 13.03 H new ATOM 0 HG3 GLN A 31 18.652 -4.309 5.834 1.00 13.03 H new ATOM 0 HE21 GLN A 31 19.070 -6.311 6.773 1.00 64.45 H new ATOM 0 HE22 GLN A 31 18.527 -7.828 6.047 1.00 64.45 H new ATOM 521 N ASN A 32 20.280 -1.676 4.477 1.00 4.22 N ATOM 522 CA ASN A 32 21.632 -1.183 4.176 1.00 3.31 C ATOM 523 C ASN A 32 22.601 -2.314 3.811 1.00 71.24 C ATOM 524 O ASN A 32 22.348 -3.486 4.101 1.00 30.12 O ATOM 525 CB ASN A 32 22.194 -0.415 5.378 1.00 34.34 C ATOM 526 CG ASN A 32 21.304 0.731 5.807 1.00 74.03 C ATOM 527 OD1 ASN A 32 20.093 0.679 5.664 1.00 54.43 O ATOM 528 ND2 ASN A 32 21.900 1.780 6.330 1.00 34.44 N ATOM 0 H ASN A 32 20.076 -1.748 5.474 1.00 4.22 H new ATOM 0 HA ASN A 32 21.541 -0.525 3.312 1.00 3.31 H new ATOM 0 HB2 ASN A 32 22.323 -1.102 6.214 1.00 34.34 H new ATOM 0 HB3 ASN A 32 23.182 -0.028 5.127 1.00 34.34 H new ATOM 0 HD21 ASN A 32 21.348 2.583 6.631 1.00 34.44 H new ATOM 0 HD22 ASN A 32 22.915 1.790 6.435 1.00 34.44 H new ATOM 535 N GLU A 33 23.718 -1.940 3.182 1.00 0.31 N ATOM 536 CA GLU A 33 24.808 -2.880 2.877 1.00 0.23 C ATOM 537 C GLU A 33 25.284 -3.595 4.147 1.00 65.31 C ATOM 538 O GLU A 33 25.606 -4.784 4.132 1.00 51.02 O ATOM 539 CB GLU A 33 25.988 -2.124 2.251 1.00 51.23 C ATOM 540 CG GLU A 33 25.644 -1.394 0.960 1.00 3.33 C ATOM 541 CD GLU A 33 26.784 -0.522 0.467 1.00 24.41 C ATOM 542 OE1 GLU A 33 27.673 -1.041 -0.237 1.00 62.32 O ATOM 543 OE2 GLU A 33 26.805 0.685 0.794 1.00 34.31 O ATOM 0 H GLU A 33 23.895 -0.985 2.870 1.00 0.31 H new ATOM 0 HA GLU A 33 24.430 -3.623 2.175 1.00 0.23 H new ATOM 0 HB2 GLU A 33 26.368 -1.402 2.974 1.00 51.23 H new ATOM 0 HB3 GLU A 33 26.794 -2.830 2.053 1.00 51.23 H new ATOM 0 HG2 GLU A 33 25.389 -2.123 0.191 1.00 3.33 H new ATOM 0 HG3 GLU A 33 24.760 -0.776 1.120 1.00 3.33 H new ATOM 550 N ASP A 34 25.333 -2.845 5.242 1.00 42.24 N ATOM 551 CA ASP A 34 25.702 -3.380 6.555 1.00 64.53 C ATOM 552 C ASP A 34 24.810 -4.573 6.951 1.00 70.22 C ATOM 553 O ASP A 34 25.277 -5.549 7.542 1.00 24.31 O ATOM 554 CB ASP A 34 25.577 -2.263 7.600 1.00 14.21 C ATOM 555 CG ASP A 34 26.040 -2.690 8.980 1.00 24.41 C ATOM 556 OD1 ASP A 34 25.254 -3.335 9.703 1.00 42.00 O ATOM 557 OD2 ASP A 34 27.196 -2.386 9.345 1.00 73.41 O ATOM 0 H ASP A 34 25.119 -1.848 5.248 1.00 42.24 H new ATOM 0 HA ASP A 34 26.730 -3.740 6.508 1.00 64.53 H new ATOM 0 HB2 ASP A 34 26.162 -1.402 7.276 1.00 14.21 H new ATOM 0 HB3 ASP A 34 24.538 -1.939 7.655 1.00 14.21 H new ATOM 562 N GLY A 35 23.528 -4.487 6.600 1.00 34.32 N ATOM 563 CA GLY A 35 22.547 -5.473 7.038 1.00 34.04 C ATOM 564 C GLY A 35 21.427 -4.839 7.852 1.00 55.25 C ATOM 565 O GLY A 35 20.281 -5.292 7.819 1.00 60.31 O ATOM 0 H GLY A 35 23.147 -3.744 6.014 1.00 34.32 H new ATOM 0 HA2 GLY A 35 22.124 -5.975 6.168 1.00 34.04 H new ATOM 0 HA3 GLY A 35 23.043 -6.237 7.637 1.00 34.04 H new ATOM 569 N SER A 36 21.774 -3.782 8.587 1.00 75.12 N ATOM 570 CA SER A 36 20.796 -3.007 9.363 1.00 74.32 C ATOM 571 C SER A 36 19.747 -2.345 8.457 1.00 43.41 C ATOM 572 O SER A 36 19.917 -2.268 7.237 1.00 21.21 O ATOM 573 CB SER A 36 21.514 -1.930 10.190 1.00 24.50 C ATOM 574 OG SER A 36 22.439 -2.506 11.101 1.00 31.24 O ATOM 0 H SER A 36 22.731 -3.438 8.663 1.00 75.12 H new ATOM 0 HA SER A 36 20.280 -3.700 10.027 1.00 74.32 H new ATOM 0 HB2 SER A 36 22.037 -1.245 9.522 1.00 24.50 H new ATOM 0 HB3 SER A 36 20.779 -1.341 10.739 1.00 24.50 H new ATOM 0 HG SER A 36 23.265 -2.737 10.627 1.00 31.24 H new ATOM 580 N VAL A 37 18.669 -1.857 9.062 1.00 4.43 N ATOM 581 CA VAL A 37 17.579 -1.213 8.317 1.00 73.14 C ATOM 582 C VAL A 37 17.809 0.303 8.178 1.00 42.01 C ATOM 583 O VAL A 37 18.372 0.943 9.069 1.00 51.44 O ATOM 584 CB VAL A 37 16.212 -1.465 9.010 1.00 33.03 C ATOM 585 CG1 VAL A 37 15.061 -0.842 8.216 1.00 43.52 C ATOM 586 CG2 VAL A 37 15.979 -2.963 9.215 1.00 51.40 C ATOM 0 H VAL A 37 18.521 -1.893 10.071 1.00 4.43 H new ATOM 0 HA VAL A 37 17.566 -1.656 7.321 1.00 73.14 H new ATOM 0 HB VAL A 37 16.240 -0.983 9.987 1.00 33.03 H new ATOM 0 HG11 VAL A 37 14.119 -1.037 8.728 1.00 43.52 H new ATOM 0 HG12 VAL A 37 15.215 0.234 8.136 1.00 43.52 H new ATOM 0 HG13 VAL A 37 15.029 -1.279 7.218 1.00 43.52 H new ATOM 0 HG21 VAL A 37 15.016 -3.118 9.702 1.00 51.40 H new ATOM 0 HG22 VAL A 37 15.983 -3.467 8.249 1.00 51.40 H new ATOM 0 HG23 VAL A 37 16.772 -3.372 9.841 1.00 51.40 H new ATOM 596 N SER A 38 17.373 0.870 7.055 1.00 65.32 N ATOM 597 CA SER A 38 17.500 2.312 6.806 1.00 24.22 C ATOM 598 C SER A 38 16.230 3.065 7.209 1.00 72.44 C ATOM 599 O SER A 38 15.140 2.493 7.259 1.00 21.40 O ATOM 600 CB SER A 38 17.802 2.585 5.324 1.00 60.45 C ATOM 601 OG SER A 38 18.019 3.972 5.083 1.00 72.41 O ATOM 0 H SER A 38 16.926 0.354 6.297 1.00 65.32 H new ATOM 0 HA SER A 38 18.328 2.671 7.417 1.00 24.22 H new ATOM 0 HB2 SER A 38 18.683 2.020 5.021 1.00 60.45 H new ATOM 0 HB3 SER A 38 16.972 2.234 4.712 1.00 60.45 H new ATOM 0 HG SER A 38 18.210 4.113 4.132 1.00 72.41 H new ATOM 607 N ASP A 39 16.377 4.355 7.486 1.00 64.14 N ATOM 608 CA ASP A 39 15.250 5.195 7.879 1.00 63.43 C ATOM 609 C ASP A 39 14.258 5.371 6.713 1.00 1.55 C ATOM 610 O ASP A 39 13.048 5.494 6.921 1.00 14.01 O ATOM 611 CB ASP A 39 15.764 6.558 8.354 1.00 13.41 C ATOM 612 CG ASP A 39 14.705 7.351 9.097 1.00 33.43 C ATOM 613 OD1 ASP A 39 14.561 7.151 10.323 1.00 23.40 O ATOM 614 OD2 ASP A 39 14.019 8.178 8.467 1.00 53.45 O ATOM 0 H ASP A 39 17.271 4.845 7.446 1.00 64.14 H new ATOM 0 HA ASP A 39 14.720 4.706 8.697 1.00 63.43 H new ATOM 0 HB2 ASP A 39 16.626 6.411 9.004 1.00 13.41 H new ATOM 0 HB3 ASP A 39 16.107 7.133 7.494 1.00 13.41 H new ATOM 619 N GLU A 40 14.787 5.362 5.492 1.00 45.12 N ATOM 620 CA GLU A 40 13.973 5.515 4.279 1.00 40.03 C ATOM 621 C GLU A 40 13.154 4.248 3.970 1.00 53.30 C ATOM 622 O GLU A 40 13.542 3.129 4.320 1.00 73.13 O ATOM 623 CB GLU A 40 14.877 5.860 3.089 1.00 62.21 C ATOM 624 CG GLU A 40 15.560 7.219 3.206 1.00 24.35 C ATOM 625 CD GLU A 40 14.609 8.387 2.979 1.00 63.50 C ATOM 626 OE1 GLU A 40 14.377 8.746 1.807 1.00 72.51 O ATOM 627 OE2 GLU A 40 14.084 8.949 3.967 1.00 72.42 O ATOM 0 H GLU A 40 15.785 5.250 5.311 1.00 45.12 H new ATOM 0 HA GLU A 40 13.266 6.326 4.453 1.00 40.03 H new ATOM 0 HB2 GLU A 40 15.640 5.088 2.989 1.00 62.21 H new ATOM 0 HB3 GLU A 40 14.282 5.840 2.176 1.00 62.21 H new ATOM 0 HG2 GLU A 40 16.008 7.310 4.196 1.00 24.35 H new ATOM 0 HG3 GLU A 40 16.373 7.274 2.482 1.00 24.35 H new ATOM 634 N ILE A 41 12.021 4.436 3.298 1.00 53.33 N ATOM 635 CA ILE A 41 11.095 3.333 2.990 1.00 42.20 C ATOM 636 C ILE A 41 11.001 3.071 1.472 1.00 22.41 C ATOM 637 O ILE A 41 11.111 3.995 0.663 1.00 10.25 O ATOM 638 CB ILE A 41 9.677 3.646 3.549 1.00 10.34 C ATOM 639 CG1 ILE A 41 9.750 3.952 5.055 1.00 3.23 C ATOM 640 CG2 ILE A 41 8.717 2.491 3.278 1.00 51.32 C ATOM 641 CD1 ILE A 41 8.416 4.316 5.678 1.00 10.53 C ATOM 0 H ILE A 41 11.715 5.345 2.952 1.00 53.33 H new ATOM 0 HA ILE A 41 11.490 2.436 3.467 1.00 42.20 H new ATOM 0 HB ILE A 41 9.294 4.528 3.035 1.00 10.34 H new ATOM 0 HG12 ILE A 41 10.155 3.082 5.572 1.00 3.23 H new ATOM 0 HG13 ILE A 41 10.449 4.773 5.215 1.00 3.23 H new ATOM 0 HG21 ILE A 41 7.733 2.734 3.678 1.00 51.32 H new ATOM 0 HG22 ILE A 41 8.641 2.326 2.203 1.00 51.32 H new ATOM 0 HG23 ILE A 41 9.091 1.587 3.759 1.00 51.32 H new ATOM 0 HD11 ILE A 41 8.553 4.517 6.740 1.00 10.53 H new ATOM 0 HD12 ILE A 41 8.017 5.205 5.189 1.00 10.53 H new ATOM 0 HD13 ILE A 41 7.718 3.488 5.553 1.00 10.53 H new ATOM 653 N LYS A 42 10.798 1.805 1.087 1.00 31.42 N ATOM 654 CA LYS A 42 10.619 1.442 -0.327 1.00 11.43 C ATOM 655 C LYS A 42 9.173 1.690 -0.792 1.00 1.31 C ATOM 656 O LYS A 42 8.924 2.490 -1.696 1.00 21.34 O ATOM 657 CB LYS A 42 10.960 -0.044 -0.544 1.00 63.14 C ATOM 658 CG LYS A 42 12.442 -0.387 -0.444 1.00 20.21 C ATOM 659 CD LYS A 42 13.231 0.175 -1.622 1.00 55.33 C ATOM 660 CE LYS A 42 14.643 -0.402 -1.684 1.00 2.01 C ATOM 661 NZ LYS A 42 14.635 -1.888 -1.798 1.00 72.52 N ATOM 0 H LYS A 42 10.753 1.016 1.732 1.00 31.42 H new ATOM 0 HA LYS A 42 11.291 2.070 -0.911 1.00 11.43 H new ATOM 0 HB2 LYS A 42 10.415 -0.637 0.190 1.00 63.14 H new ATOM 0 HB3 LYS A 42 10.599 -0.344 -1.528 1.00 63.14 H new ATOM 0 HG2 LYS A 42 12.846 0.010 0.487 1.00 20.21 H new ATOM 0 HG3 LYS A 42 12.563 -1.470 -0.408 1.00 20.21 H new ATOM 0 HD2 LYS A 42 12.706 -0.048 -2.551 1.00 55.33 H new ATOM 0 HD3 LYS A 42 13.285 1.260 -1.539 1.00 55.33 H new ATOM 0 HE2 LYS A 42 15.171 0.024 -2.537 1.00 2.01 H new ATOM 0 HE3 LYS A 42 15.193 -0.110 -0.790 1.00 2.01 H new ATOM 0 HZ1 LYS A 42 15.537 -2.210 -2.202 1.00 72.52 H new ATOM 0 HZ2 LYS A 42 14.509 -2.308 -0.855 1.00 72.52 H new ATOM 0 HZ3 LYS A 42 13.853 -2.185 -2.416 1.00 72.52 H new ATOM 675 N GLU A 43 8.222 1.006 -0.147 1.00 31.25 N ATOM 676 CA GLU A 43 6.797 1.109 -0.496 1.00 53.31 C ATOM 677 C GLU A 43 5.911 0.952 0.751 1.00 55.32 C ATOM 678 O GLU A 43 6.374 0.530 1.813 1.00 42.05 O ATOM 679 CB GLU A 43 6.407 0.040 -1.537 1.00 42.05 C ATOM 680 CG GLU A 43 7.245 0.082 -2.810 1.00 42.44 C ATOM 681 CD GLU A 43 6.726 -0.838 -3.908 1.00 40.12 C ATOM 682 OE1 GLU A 43 6.923 -2.066 -3.801 1.00 73.35 O ATOM 683 OE2 GLU A 43 6.148 -0.332 -4.890 1.00 41.41 O ATOM 0 H GLU A 43 8.414 0.369 0.626 1.00 31.25 H new ATOM 0 HA GLU A 43 6.637 2.099 -0.923 1.00 53.31 H new ATOM 0 HB2 GLU A 43 6.502 -0.947 -1.083 1.00 42.05 H new ATOM 0 HB3 GLU A 43 5.357 0.169 -1.800 1.00 42.05 H new ATOM 0 HG2 GLU A 43 7.270 1.105 -3.186 1.00 42.44 H new ATOM 0 HG3 GLU A 43 8.271 -0.195 -2.570 1.00 42.44 H new ATOM 690 N ARG A 44 4.632 1.281 0.608 1.00 12.14 N ATOM 691 CA ARG A 44 3.671 1.187 1.711 1.00 72.25 C ATOM 692 C ARG A 44 2.421 0.401 1.279 1.00 24.43 C ATOM 693 O ARG A 44 1.705 0.810 0.361 1.00 73.04 O ATOM 694 CB ARG A 44 3.296 2.601 2.185 1.00 54.31 C ATOM 695 CG ARG A 44 2.292 2.639 3.332 1.00 52.31 C ATOM 696 CD ARG A 44 2.135 4.050 3.894 1.00 70.52 C ATOM 697 NE ARG A 44 3.354 4.516 4.556 1.00 0.11 N ATOM 698 CZ ARG A 44 3.928 5.673 4.343 1.00 21.12 C ATOM 699 NH1 ARG A 44 3.438 6.509 3.484 1.00 50.11 N ATOM 700 NH2 ARG A 44 4.998 5.981 4.999 1.00 21.44 N ATOM 0 H ARG A 44 4.230 1.618 -0.267 1.00 12.14 H new ATOM 0 HA ARG A 44 4.129 0.647 2.540 1.00 72.25 H new ATOM 0 HB2 ARG A 44 4.203 3.119 2.496 1.00 54.31 H new ATOM 0 HB3 ARG A 44 2.886 3.156 1.341 1.00 54.31 H new ATOM 0 HG2 ARG A 44 1.325 2.276 2.983 1.00 52.31 H new ATOM 0 HG3 ARG A 44 2.618 1.965 4.124 1.00 52.31 H new ATOM 0 HD2 ARG A 44 1.877 4.735 3.086 1.00 70.52 H new ATOM 0 HD3 ARG A 44 1.308 4.067 4.604 1.00 70.52 H new ATOM 0 HE ARG A 44 3.790 3.892 5.235 1.00 0.11 H new ATOM 0 HH11 ARG A 44 2.594 6.269 2.963 1.00 50.11 H new ATOM 0 HH12 ARG A 44 3.896 7.407 3.328 1.00 50.11 H new ATOM 0 HH21 ARG A 44 5.388 5.325 5.676 1.00 21.44 H new ATOM 0 HH22 ARG A 44 5.453 6.880 4.840 1.00 21.44 H new ATOM 714 N THR A 45 2.169 -0.729 1.946 1.00 33.24 N ATOM 715 CA THR A 45 1.066 -1.636 1.581 1.00 25.34 C ATOM 716 C THR A 45 -0.204 -1.378 2.411 1.00 42.03 C ATOM 717 O THR A 45 -0.174 -1.406 3.643 1.00 5.54 O ATOM 718 CB THR A 45 1.484 -3.120 1.759 1.00 72.32 C ATOM 719 OG1 THR A 45 2.685 -3.389 1.024 1.00 50.24 O ATOM 720 CG2 THR A 45 0.384 -4.065 1.282 1.00 64.24 C ATOM 0 H THR A 45 2.716 -1.043 2.748 1.00 33.24 H new ATOM 0 HA THR A 45 0.842 -1.435 0.533 1.00 25.34 H new ATOM 0 HB THR A 45 1.656 -3.289 2.822 1.00 72.32 H new ATOM 0 HG1 THR A 45 2.474 -3.465 0.070 1.00 50.24 H new ATOM 0 HG21 THR A 45 0.706 -5.097 1.419 1.00 64.24 H new ATOM 0 HG22 THR A 45 -0.523 -3.888 1.860 1.00 64.24 H new ATOM 0 HG23 THR A 45 0.183 -3.885 0.226 1.00 64.24 H new ATOM 728 N TYR A 46 -1.322 -1.138 1.724 1.00 1.24 N ATOM 729 CA TYR A 46 -2.625 -0.923 2.371 1.00 3.04 C ATOM 730 C TYR A 46 -3.552 -2.142 2.197 1.00 64.15 C ATOM 731 O TYR A 46 -3.285 -3.035 1.389 1.00 61.42 O ATOM 732 CB TYR A 46 -3.319 0.312 1.776 1.00 31.22 C ATOM 733 CG TYR A 46 -2.567 1.617 1.956 1.00 3.44 C ATOM 734 CD1 TYR A 46 -1.527 1.966 1.102 1.00 5.11 C ATOM 735 CD2 TYR A 46 -2.912 2.511 2.964 1.00 72.53 C ATOM 736 CE1 TYR A 46 -0.852 3.160 1.249 1.00 31.35 C ATOM 737 CE2 TYR A 46 -2.246 3.712 3.114 1.00 55.42 C ATOM 738 CZ TYR A 46 -1.215 4.032 2.253 1.00 31.44 C ATOM 739 OH TYR A 46 -0.548 5.231 2.396 1.00 52.42 O ATOM 0 H TYR A 46 -1.354 -1.087 0.706 1.00 1.24 H new ATOM 0 HA TYR A 46 -2.436 -0.772 3.434 1.00 3.04 H new ATOM 0 HB2 TYR A 46 -3.476 0.144 0.710 1.00 31.22 H new ATOM 0 HB3 TYR A 46 -4.304 0.412 2.232 1.00 31.22 H new ATOM 0 HD1 TYR A 46 -1.242 1.290 0.309 1.00 5.11 H new ATOM 0 HD2 TYR A 46 -3.715 2.262 3.642 1.00 72.53 H new ATOM 0 HE1 TYR A 46 -0.042 3.411 0.580 1.00 31.35 H new ATOM 0 HE2 TYR A 46 -2.530 4.396 3.900 1.00 55.42 H new ATOM 0 HH TYR A 46 -0.226 5.533 1.521 1.00 52.42 H new ATOM 749 N ASP A 47 -4.650 -2.148 2.953 1.00 43.35 N ATOM 750 CA ASP A 47 -5.671 -3.202 2.864 1.00 43.44 C ATOM 751 C ASP A 47 -6.986 -2.649 2.294 1.00 74.25 C ATOM 752 O ASP A 47 -7.621 -1.785 2.907 1.00 14.12 O ATOM 753 CB ASP A 47 -5.932 -3.792 4.255 1.00 34.52 C ATOM 754 CG ASP A 47 -4.714 -4.485 4.824 1.00 62.23 C ATOM 755 OD1 ASP A 47 -4.145 -5.343 4.125 1.00 32.31 O ATOM 756 OD2 ASP A 47 -4.321 -4.175 5.968 1.00 11.43 O ATOM 0 H ASP A 47 -4.860 -1.427 3.643 1.00 43.35 H new ATOM 0 HA ASP A 47 -5.299 -3.978 2.195 1.00 43.44 H new ATOM 0 HB2 ASP A 47 -6.243 -2.996 4.932 1.00 34.52 H new ATOM 0 HB3 ASP A 47 -6.757 -4.502 4.197 1.00 34.52 H new ATOM 761 N LEU A 48 -7.396 -3.138 1.124 1.00 33.30 N ATOM 762 CA LEU A 48 -8.659 -2.708 0.506 1.00 62.00 C ATOM 763 C LEU A 48 -9.598 -3.899 0.274 1.00 54.05 C ATOM 764 O LEU A 48 -9.257 -4.845 -0.436 1.00 24.42 O ATOM 765 CB LEU A 48 -8.383 -1.993 -0.826 1.00 3.23 C ATOM 766 CG LEU A 48 -7.410 -0.801 -0.752 1.00 73.21 C ATOM 767 CD1 LEU A 48 -7.248 -0.152 -2.124 1.00 51.20 C ATOM 768 CD2 LEU A 48 -7.882 0.225 0.276 1.00 44.55 C ATOM 0 H LEU A 48 -6.877 -3.830 0.583 1.00 33.30 H new ATOM 0 HA LEU A 48 -9.148 -2.016 1.191 1.00 62.00 H new ATOM 0 HB2 LEU A 48 -7.985 -2.721 -1.533 1.00 3.23 H new ATOM 0 HB3 LEU A 48 -9.331 -1.640 -1.232 1.00 3.23 H new ATOM 0 HG LEU A 48 -6.438 -1.177 -0.433 1.00 73.21 H new ATOM 0 HD11 LEU A 48 -6.557 0.688 -2.050 1.00 51.20 H new ATOM 0 HD12 LEU A 48 -6.855 -0.885 -2.829 1.00 51.20 H new ATOM 0 HD13 LEU A 48 -8.216 0.205 -2.474 1.00 51.20 H new ATOM 0 HD21 LEU A 48 -7.178 1.057 0.309 1.00 44.55 H new ATOM 0 HD22 LEU A 48 -8.868 0.595 -0.005 1.00 44.55 H new ATOM 0 HD23 LEU A 48 -7.937 -0.243 1.259 1.00 44.55 H new ATOM 780 N LYS A 49 -10.789 -3.844 0.869 1.00 53.33 N ATOM 781 CA LYS A 49 -11.769 -4.931 0.747 1.00 12.11 C ATOM 782 C LYS A 49 -12.797 -4.645 -0.361 1.00 60.52 C ATOM 783 O LYS A 49 -13.429 -3.582 -0.395 1.00 62.35 O ATOM 784 CB LYS A 49 -12.468 -5.159 2.095 1.00 13.00 C ATOM 785 CG LYS A 49 -13.171 -3.921 2.650 1.00 32.24 C ATOM 786 CD LYS A 49 -13.687 -4.147 4.069 1.00 13.41 C ATOM 787 CE LYS A 49 -14.673 -5.309 4.134 1.00 54.01 C ATOM 788 NZ LYS A 49 -15.180 -5.541 5.510 1.00 31.25 N ATOM 0 H LYS A 49 -11.102 -3.060 1.441 1.00 53.33 H new ATOM 0 HA LYS A 49 -11.236 -5.839 0.466 1.00 12.11 H new ATOM 0 HB2 LYS A 49 -13.200 -5.959 1.982 1.00 13.00 H new ATOM 0 HB3 LYS A 49 -11.731 -5.501 2.821 1.00 13.00 H new ATOM 0 HG2 LYS A 49 -12.480 -3.078 2.645 1.00 32.24 H new ATOM 0 HG3 LYS A 49 -14.004 -3.654 1.999 1.00 32.24 H new ATOM 0 HD2 LYS A 49 -12.847 -4.346 4.734 1.00 13.41 H new ATOM 0 HD3 LYS A 49 -14.171 -3.239 4.429 1.00 13.41 H new ATOM 0 HE2 LYS A 49 -15.513 -5.108 3.469 1.00 54.01 H new ATOM 0 HE3 LYS A 49 -14.188 -6.215 3.770 1.00 54.01 H new ATOM 0 HZ1 LYS A 49 -15.846 -6.340 5.504 1.00 31.25 H new ATOM 0 HZ2 LYS A 49 -14.383 -5.759 6.141 1.00 31.25 H new ATOM 0 HZ3 LYS A 49 -15.666 -4.687 5.849 1.00 31.25 H new ATOM 802 N SER A 50 -12.973 -5.611 -1.260 1.00 54.52 N ATOM 803 CA SER A 50 -13.881 -5.457 -2.409 1.00 55.43 C ATOM 804 C SER A 50 -15.314 -5.893 -2.069 1.00 21.25 C ATOM 805 O SER A 50 -15.533 -6.764 -1.222 1.00 23.21 O ATOM 806 CB SER A 50 -13.364 -6.267 -3.608 1.00 65.31 C ATOM 807 OG SER A 50 -14.213 -6.112 -4.732 1.00 23.42 O ATOM 0 H SER A 50 -12.500 -6.514 -1.220 1.00 54.52 H new ATOM 0 HA SER A 50 -13.904 -4.398 -2.665 1.00 55.43 H new ATOM 0 HB2 SER A 50 -12.355 -5.942 -3.863 1.00 65.31 H new ATOM 0 HB3 SER A 50 -13.301 -7.321 -3.339 1.00 65.31 H new ATOM 0 HG SER A 50 -13.862 -6.636 -5.482 1.00 23.42 H new ATOM 866 N ARG A 55 -13.372 -10.079 0.786 1.00 30.41 N ATOM 867 CA ARG A 55 -11.923 -10.238 0.978 1.00 72.15 C ATOM 868 C ARG A 55 -11.168 -8.937 0.678 1.00 44.14 C ATOM 869 O ARG A 55 -11.624 -8.102 -0.109 1.00 45.12 O ATOM 870 CB ARG A 55 -11.361 -11.355 0.089 1.00 55.02 C ATOM 871 CG ARG A 55 -11.906 -12.748 0.389 1.00 10.30 C ATOM 872 CD ARG A 55 -11.201 -13.808 -0.452 1.00 2.11 C ATOM 873 NE ARG A 55 -11.302 -13.521 -1.882 1.00 5.23 N ATOM 874 CZ ARG A 55 -10.295 -13.540 -2.714 1.00 54.13 C ATOM 875 NH1 ARG A 55 -9.096 -13.820 -2.314 1.00 23.24 N ATOM 876 NH2 ARG A 55 -10.490 -13.284 -3.958 1.00 15.24 N ATOM 0 HA ARG A 55 -11.776 -10.502 2.025 1.00 72.15 H new ATOM 0 HB2 ARG A 55 -11.575 -11.113 -0.952 1.00 55.02 H new ATOM 0 HB3 ARG A 55 -10.276 -11.374 0.196 1.00 55.02 H new ATOM 0 HG2 ARG A 55 -11.775 -12.973 1.447 1.00 10.30 H new ATOM 0 HG3 ARG A 55 -12.977 -12.774 0.188 1.00 10.30 H new ATOM 0 HD2 ARG A 55 -10.151 -13.861 -0.165 1.00 2.11 H new ATOM 0 HD3 ARG A 55 -11.637 -14.785 -0.246 1.00 2.11 H new ATOM 0 HE ARG A 55 -12.222 -13.290 -2.256 1.00 5.23 H new ATOM 0 HH11 ARG A 55 -8.923 -14.032 -1.331 1.00 23.24 H new ATOM 0 HH12 ARG A 55 -8.325 -13.829 -2.981 1.00 23.24 H new ATOM 0 HH21 ARG A 55 -11.429 -13.067 -4.293 1.00 15.24 H new ATOM 0 HH22 ARG A 55 -9.706 -13.298 -4.611 1.00 15.24 H new ATOM 890 N MET A 56 -10.003 -8.785 1.300 1.00 12.24 N ATOM 891 CA MET A 56 -9.135 -7.627 1.067 1.00 24.52 C ATOM 892 C MET A 56 -7.916 -8.002 0.207 1.00 61.11 C ATOM 893 O MET A 56 -7.384 -9.110 0.308 1.00 34.43 O ATOM 894 CB MET A 56 -8.673 -7.036 2.407 1.00 63.50 C ATOM 895 CG MET A 56 -7.849 -8.000 3.257 1.00 42.30 C ATOM 896 SD MET A 56 -7.431 -7.324 4.878 1.00 50.44 S ATOM 897 CE MET A 56 -9.061 -7.106 5.591 1.00 24.41 C ATOM 0 H MET A 56 -9.633 -9.453 1.976 1.00 12.24 H new ATOM 0 HA MET A 56 -9.712 -6.880 0.523 1.00 24.52 H new ATOM 0 HB2 MET A 56 -8.082 -6.141 2.214 1.00 63.50 H new ATOM 0 HB3 MET A 56 -9.548 -6.723 2.976 1.00 63.50 H new ATOM 0 HG2 MET A 56 -8.406 -8.928 3.388 1.00 42.30 H new ATOM 0 HG3 MET A 56 -6.931 -8.251 2.726 1.00 42.30 H new ATOM 0 HE1 MET A 56 -8.982 -7.077 6.678 1.00 24.41 H new ATOM 0 HE2 MET A 56 -9.492 -6.171 5.234 1.00 24.41 H new ATOM 0 HE3 MET A 56 -9.701 -7.937 5.296 1.00 24.41 H new ATOM 907 N ILE A 57 -7.499 -7.076 -0.653 1.00 54.11 N ATOM 908 CA ILE A 57 -6.286 -7.239 -1.463 1.00 55.14 C ATOM 909 C ILE A 57 -5.154 -6.350 -0.926 1.00 62.14 C ATOM 910 O ILE A 57 -5.405 -5.235 -0.453 1.00 42.03 O ATOM 911 CB ILE A 57 -6.547 -6.890 -2.955 1.00 50.21 C ATOM 912 CG1 ILE A 57 -7.125 -5.466 -3.087 1.00 4.44 C ATOM 913 CG2 ILE A 57 -7.479 -7.919 -3.596 1.00 51.12 C ATOM 914 CD1 ILE A 57 -7.407 -5.039 -4.515 1.00 61.40 C ATOM 0 H ILE A 57 -7.987 -6.194 -0.811 1.00 54.11 H new ATOM 0 HA ILE A 57 -5.991 -8.286 -1.396 1.00 55.14 H new ATOM 0 HB ILE A 57 -5.595 -6.920 -3.486 1.00 50.21 H new ATOM 0 HG12 ILE A 57 -8.050 -5.407 -2.513 1.00 4.44 H new ATOM 0 HG13 ILE A 57 -6.426 -4.759 -2.640 1.00 4.44 H new ATOM 0 HG21 ILE A 57 -7.648 -7.656 -4.640 1.00 51.12 H new ATOM 0 HG22 ILE A 57 -7.023 -8.907 -3.540 1.00 51.12 H new ATOM 0 HG23 ILE A 57 -8.431 -7.928 -3.065 1.00 51.12 H new ATOM 0 HD11 ILE A 57 -7.811 -4.027 -4.519 1.00 61.40 H new ATOM 0 HD12 ILE A 57 -6.482 -5.063 -5.091 1.00 61.40 H new ATOM 0 HD13 ILE A 57 -8.131 -5.720 -4.962 1.00 61.40 H new ATOM 926 N GLN A 58 -3.915 -6.834 -1.000 1.00 45.10 N ATOM 927 CA GLN A 58 -2.765 -6.082 -0.484 1.00 55.31 C ATOM 928 C GLN A 58 -2.201 -5.135 -1.554 1.00 53.41 C ATOM 929 O GLN A 58 -1.534 -5.570 -2.494 1.00 42.13 O ATOM 930 CB GLN A 58 -1.669 -7.043 0.012 1.00 62.53 C ATOM 931 CG GLN A 58 -1.980 -7.748 1.331 1.00 20.33 C ATOM 932 CD GLN A 58 -3.276 -8.551 1.308 1.00 60.25 C ATOM 933 OE1 GLN A 58 -4.341 -8.056 1.661 1.00 61.24 O ATOM 934 NE2 GLN A 58 -3.197 -9.795 0.881 1.00 31.51 N ATOM 0 H GLN A 58 -3.679 -7.738 -1.409 1.00 45.10 H new ATOM 0 HA GLN A 58 -3.107 -5.479 0.357 1.00 55.31 H new ATOM 0 HB2 GLN A 58 -1.494 -7.798 -0.754 1.00 62.53 H new ATOM 0 HB3 GLN A 58 -0.740 -6.484 0.126 1.00 62.53 H new ATOM 0 HG2 GLN A 58 -1.154 -8.415 1.579 1.00 20.33 H new ATOM 0 HG3 GLN A 58 -2.038 -7.004 2.125 1.00 20.33 H new ATOM 0 HE21 GLN A 58 -2.297 -10.179 0.594 1.00 31.51 H new ATOM 0 HE22 GLN A 58 -4.036 -10.374 0.838 1.00 31.51 H new ATOM 943 N VAL A 59 -2.464 -3.838 -1.406 1.00 63.23 N ATOM 944 CA VAL A 59 -2.054 -2.841 -2.402 1.00 43.12 C ATOM 945 C VAL A 59 -0.791 -2.079 -1.975 1.00 40.54 C ATOM 946 O VAL A 59 -0.783 -1.399 -0.952 1.00 25.14 O ATOM 947 CB VAL A 59 -3.186 -1.822 -2.675 1.00 74.32 C ATOM 948 CG1 VAL A 59 -2.755 -0.792 -3.721 1.00 63.13 C ATOM 949 CG2 VAL A 59 -4.459 -2.545 -3.112 1.00 54.40 C ATOM 0 H VAL A 59 -2.961 -3.449 -0.605 1.00 63.23 H new ATOM 0 HA VAL A 59 -1.834 -3.397 -3.314 1.00 43.12 H new ATOM 0 HB VAL A 59 -3.396 -1.287 -1.749 1.00 74.32 H new ATOM 0 HG11 VAL A 59 -3.568 -0.088 -3.895 1.00 63.13 H new ATOM 0 HG12 VAL A 59 -1.879 -0.253 -3.361 1.00 63.13 H new ATOM 0 HG13 VAL A 59 -2.510 -1.301 -4.653 1.00 63.13 H new ATOM 0 HG21 VAL A 59 -5.246 -1.815 -3.300 1.00 54.40 H new ATOM 0 HG22 VAL A 59 -4.262 -3.109 -4.023 1.00 54.40 H new ATOM 0 HG23 VAL A 59 -4.778 -3.228 -2.324 1.00 54.40 H new ATOM 959 N SER A 60 0.266 -2.180 -2.774 1.00 43.13 N ATOM 960 CA SER A 60 1.542 -1.513 -2.469 1.00 3.33 C ATOM 961 C SER A 60 1.782 -0.303 -3.386 1.00 24.30 C ATOM 962 O SER A 60 1.670 -0.402 -4.611 1.00 12.42 O ATOM 963 CB SER A 60 2.712 -2.499 -2.611 1.00 13.22 C ATOM 964 OG SER A 60 2.538 -3.638 -1.780 1.00 12.13 O ATOM 0 H SER A 60 0.271 -2.717 -3.641 1.00 43.13 H new ATOM 0 HA SER A 60 1.484 -1.160 -1.440 1.00 3.33 H new ATOM 0 HB2 SER A 60 2.798 -2.816 -3.650 1.00 13.22 H new ATOM 0 HB3 SER A 60 3.645 -1.998 -2.352 1.00 13.22 H new ATOM 0 HG SER A 60 3.298 -4.246 -1.895 1.00 12.13 H new ATOM 970 N ILE A 61 2.098 0.841 -2.788 1.00 55.12 N ATOM 971 CA ILE A 61 2.461 2.045 -3.551 1.00 50.50 C ATOM 972 C ILE A 61 3.812 2.603 -3.073 1.00 31.43 C ATOM 973 O ILE A 61 4.169 2.443 -1.905 1.00 32.24 O ATOM 974 CB ILE A 61 1.376 3.151 -3.437 1.00 42.42 C ATOM 975 CG1 ILE A 61 1.136 3.535 -1.966 1.00 32.35 C ATOM 976 CG2 ILE A 61 0.077 2.695 -4.101 1.00 5.04 C ATOM 977 CD1 ILE A 61 0.119 4.643 -1.779 1.00 64.41 C ATOM 0 H ILE A 61 2.112 0.967 -1.776 1.00 55.12 H new ATOM 0 HA ILE A 61 2.538 1.748 -4.597 1.00 50.50 H new ATOM 0 HB ILE A 61 1.734 4.038 -3.959 1.00 42.42 H new ATOM 0 HG12 ILE A 61 0.802 2.653 -1.420 1.00 32.35 H new ATOM 0 HG13 ILE A 61 2.082 3.845 -1.523 1.00 32.35 H new ATOM 0 HG21 ILE A 61 -0.673 3.481 -4.012 1.00 5.04 H new ATOM 0 HG22 ILE A 61 0.261 2.486 -5.155 1.00 5.04 H new ATOM 0 HG23 ILE A 61 -0.285 1.792 -3.610 1.00 5.04 H new ATOM 0 HD11 ILE A 61 0.005 4.857 -0.716 1.00 64.41 H new ATOM 0 HD12 ILE A 61 0.460 5.541 -2.295 1.00 64.41 H new ATOM 0 HD13 ILE A 61 -0.840 4.330 -2.191 1.00 64.41 H new ATOM 989 N PRO A 62 4.589 3.255 -3.966 1.00 63.43 N ATOM 990 CA PRO A 62 5.917 3.797 -3.615 1.00 52.54 C ATOM 991 C PRO A 62 5.871 4.762 -2.415 1.00 31.23 C ATOM 992 O PRO A 62 4.940 5.556 -2.279 1.00 73.31 O ATOM 993 CB PRO A 62 6.367 4.527 -4.897 1.00 14.11 C ATOM 994 CG PRO A 62 5.125 4.698 -5.710 1.00 1.42 C ATOM 995 CD PRO A 62 4.248 3.525 -5.374 1.00 65.50 C ATOM 0 HA PRO A 62 6.603 3.009 -3.303 1.00 52.54 H new ATOM 0 HB2 PRO A 62 6.819 5.491 -4.663 1.00 14.11 H new ATOM 0 HB3 PRO A 62 7.115 3.947 -5.438 1.00 14.11 H new ATOM 0 HG2 PRO A 62 4.628 5.638 -5.471 1.00 1.42 H new ATOM 0 HG3 PRO A 62 5.355 4.721 -6.775 1.00 1.42 H new ATOM 0 HD2 PRO A 62 3.191 3.762 -5.496 1.00 65.50 H new ATOM 0 HD3 PRO A 62 4.458 2.667 -6.013 1.00 65.50 H new ATOM 1003 N ALA A 63 6.891 4.695 -1.556 1.00 32.31 N ATOM 1004 CA ALA A 63 6.949 5.523 -0.340 1.00 15.10 C ATOM 1005 C ALA A 63 6.917 7.030 -0.649 1.00 65.23 C ATOM 1006 O ALA A 63 6.635 7.847 0.232 1.00 14.15 O ATOM 1007 CB ALA A 63 8.191 5.176 0.465 1.00 5.12 C ATOM 0 H ALA A 63 7.692 4.075 -1.677 1.00 32.31 H new ATOM 0 HA ALA A 63 6.057 5.301 0.246 1.00 15.10 H new ATOM 0 HB1 ALA A 63 8.227 5.793 1.363 1.00 5.12 H new ATOM 0 HB2 ALA A 63 8.159 4.124 0.748 1.00 5.12 H new ATOM 0 HB3 ALA A 63 9.079 5.362 -0.138 1.00 5.12 H new ATOM 1013 N SER A 64 7.216 7.392 -1.895 1.00 23.21 N ATOM 1014 CA SER A 64 7.126 8.792 -2.342 1.00 12.52 C ATOM 1015 C SER A 64 5.687 9.320 -2.251 1.00 62.30 C ATOM 1016 O SER A 64 5.464 10.517 -2.067 1.00 34.03 O ATOM 1017 CB SER A 64 7.633 8.932 -3.783 1.00 63.41 C ATOM 1018 OG SER A 64 7.526 10.273 -4.246 1.00 30.00 O ATOM 0 H SER A 64 7.523 6.740 -2.617 1.00 23.21 H new ATOM 0 HA SER A 64 7.754 9.386 -1.678 1.00 12.52 H new ATOM 0 HB2 SER A 64 8.673 8.609 -3.837 1.00 63.41 H new ATOM 0 HB3 SER A 64 7.061 8.274 -4.437 1.00 63.41 H new ATOM 0 HG SER A 64 7.858 10.329 -5.166 1.00 30.00 H new ATOM 1024 N VAL A 65 4.714 8.418 -2.370 1.00 1.14 N ATOM 1025 CA VAL A 65 3.299 8.789 -2.273 1.00 5.02 C ATOM 1026 C VAL A 65 2.885 9.014 -0.804 1.00 34.24 C ATOM 1027 O VAL A 65 3.132 8.161 0.055 1.00 62.32 O ATOM 1028 CB VAL A 65 2.391 7.701 -2.909 1.00 62.21 C ATOM 1029 CG1 VAL A 65 0.920 8.116 -2.867 1.00 73.25 C ATOM 1030 CG2 VAL A 65 2.832 7.402 -4.342 1.00 35.31 C ATOM 0 H VAL A 65 4.877 7.425 -2.534 1.00 1.14 H new ATOM 0 HA VAL A 65 3.169 9.721 -2.823 1.00 5.02 H new ATOM 0 HB VAL A 65 2.496 6.789 -2.321 1.00 62.21 H new ATOM 0 HG11 VAL A 65 0.309 7.335 -3.319 1.00 73.25 H new ATOM 0 HG12 VAL A 65 0.613 8.263 -1.832 1.00 73.25 H new ATOM 0 HG13 VAL A 65 0.788 9.046 -3.420 1.00 73.25 H new ATOM 0 HG21 VAL A 65 2.184 6.637 -4.770 1.00 35.31 H new ATOM 0 HG22 VAL A 65 2.766 8.311 -4.940 1.00 35.31 H new ATOM 0 HG23 VAL A 65 3.862 7.044 -4.339 1.00 35.31 H new ATOM 1040 N PRO A 66 2.253 10.168 -0.493 1.00 13.31 N ATOM 1041 CA PRO A 66 1.834 10.506 0.885 1.00 11.02 C ATOM 1042 C PRO A 66 0.880 9.468 1.515 1.00 44.32 C ATOM 1043 O PRO A 66 0.176 8.734 0.813 1.00 35.13 O ATOM 1044 CB PRO A 66 1.135 11.871 0.727 1.00 42.32 C ATOM 1045 CG PRO A 66 0.802 11.972 -0.728 1.00 24.01 C ATOM 1046 CD PRO A 66 1.899 11.237 -1.447 1.00 62.43 C ATOM 0 HA PRO A 66 2.687 10.523 1.563 1.00 11.02 H new ATOM 0 HB2 PRO A 66 0.237 11.927 1.342 1.00 42.32 H new ATOM 0 HB3 PRO A 66 1.787 12.686 1.040 1.00 42.32 H new ATOM 0 HG2 PRO A 66 -0.171 11.528 -0.939 1.00 24.01 H new ATOM 0 HG3 PRO A 66 0.753 13.013 -1.047 1.00 24.01 H new ATOM 0 HD2 PRO A 66 1.558 10.833 -2.400 1.00 62.43 H new ATOM 0 HD3 PRO A 66 2.748 11.886 -1.661 1.00 62.43 H new ATOM 1054 N LEU A 67 0.867 9.416 2.849 1.00 64.43 N ATOM 1055 CA LEU A 67 0.023 8.467 3.584 1.00 32.45 C ATOM 1056 C LEU A 67 -1.475 8.796 3.429 1.00 14.44 C ATOM 1057 O LEU A 67 -1.887 9.949 3.547 1.00 5.33 O ATOM 1058 CB LEU A 67 0.422 8.451 5.069 1.00 63.11 C ATOM 1059 CG LEU A 67 -0.425 7.534 5.972 1.00 2.24 C ATOM 1060 CD1 LEU A 67 -0.508 6.125 5.393 1.00 53.21 C ATOM 1061 CD2 LEU A 67 0.136 7.499 7.393 1.00 43.14 C ATOM 0 H LEU A 67 1.432 10.021 3.445 1.00 64.43 H new ATOM 0 HA LEU A 67 0.183 7.476 3.159 1.00 32.45 H new ATOM 0 HB2 LEU A 67 1.465 8.143 5.144 1.00 63.11 H new ATOM 0 HB3 LEU A 67 0.361 9.469 5.455 1.00 63.11 H new ATOM 0 HG LEU A 67 -1.434 7.945 6.014 1.00 2.24 H new ATOM 0 HD11 LEU A 67 -1.111 5.497 6.049 1.00 53.21 H new ATOM 0 HD12 LEU A 67 -0.967 6.164 4.405 1.00 53.21 H new ATOM 0 HD13 LEU A 67 0.495 5.706 5.311 1.00 53.21 H new ATOM 0 HD21 LEU A 67 -0.479 6.845 8.011 1.00 43.14 H new ATOM 0 HD22 LEU A 67 1.158 7.122 7.371 1.00 43.14 H new ATOM 0 HD23 LEU A 67 0.130 8.505 7.812 1.00 43.14 H new ATOM 1073 N LYS A 68 -2.281 7.768 3.164 1.00 55.22 N ATOM 1074 CA LYS A 68 -3.712 7.951 2.891 1.00 71.45 C ATOM 1075 C LYS A 68 -4.559 8.043 4.175 1.00 74.33 C ATOM 1076 O LYS A 68 -5.071 9.113 4.512 1.00 55.33 O ATOM 1077 CB LYS A 68 -4.226 6.800 2.016 1.00 31.52 C ATOM 1078 CG LYS A 68 -3.409 6.569 0.747 1.00 34.21 C ATOM 1079 CD LYS A 68 -3.076 7.883 0.046 1.00 20.11 C ATOM 1080 CE LYS A 68 -2.442 7.665 -1.326 1.00 25.54 C ATOM 1081 NZ LYS A 68 -2.258 8.942 -2.068 1.00 22.22 N ATOM 0 H LYS A 68 -1.970 6.797 3.132 1.00 55.22 H new ATOM 0 HA LYS A 68 -3.817 8.901 2.368 1.00 71.45 H new ATOM 0 HB2 LYS A 68 -4.229 5.883 2.605 1.00 31.52 H new ATOM 0 HB3 LYS A 68 -5.260 7.003 1.738 1.00 31.52 H new ATOM 0 HG2 LYS A 68 -2.486 6.046 0.998 1.00 34.21 H new ATOM 0 HG3 LYS A 68 -3.966 5.924 0.067 1.00 34.21 H new ATOM 0 HD2 LYS A 68 -3.986 8.473 -0.066 1.00 20.11 H new ATOM 0 HD3 LYS A 68 -2.396 8.463 0.670 1.00 20.11 H new ATOM 0 HE2 LYS A 68 -1.476 7.175 -1.205 1.00 25.54 H new ATOM 0 HE3 LYS A 68 -3.069 6.993 -1.912 1.00 25.54 H new ATOM 0 HZ1 LYS A 68 -1.841 8.745 -3.000 1.00 22.22 H new ATOM 0 HZ2 LYS A 68 -3.180 9.407 -2.193 1.00 22.22 H new ATOM 0 HZ3 LYS A 68 -1.625 9.568 -1.530 1.00 22.22 H new ATOM 1095 N GLU A 69 -4.709 6.914 4.879 1.00 35.22 N ATOM 1096 CA GLU A 69 -5.580 6.833 6.067 1.00 71.43 C ATOM 1097 C GLU A 69 -7.022 7.274 5.745 1.00 15.44 C ATOM 1098 O GLU A 69 -7.602 8.097 6.456 1.00 10.33 O ATOM 1099 CB GLU A 69 -5.019 7.683 7.224 1.00 63.24 C ATOM 1100 CG GLU A 69 -3.625 7.275 7.686 1.00 2.10 C ATOM 1101 CD GLU A 69 -3.136 8.103 8.868 1.00 34.44 C ATOM 1102 OE1 GLU A 69 -2.885 9.311 8.692 1.00 31.32 O ATOM 1103 OE2 GLU A 69 -3.014 7.552 9.982 1.00 41.32 O ATOM 0 H GLU A 69 -4.238 6.039 4.648 1.00 35.22 H new ATOM 0 HA GLU A 69 -5.602 5.788 6.376 1.00 71.43 H new ATOM 0 HB2 GLU A 69 -4.994 8.727 6.913 1.00 63.24 H new ATOM 0 HB3 GLU A 69 -5.703 7.619 8.071 1.00 63.24 H new ATOM 0 HG2 GLU A 69 -3.632 6.221 7.963 1.00 2.10 H new ATOM 0 HG3 GLU A 69 -2.925 7.382 6.857 1.00 2.10 H new ATOM 1110 N PHE A 70 -7.595 6.720 4.675 1.00 42.30 N ATOM 1111 CA PHE A 70 -8.966 7.063 4.265 1.00 41.10 C ATOM 1112 C PHE A 70 -10.014 6.588 5.292 1.00 75.23 C ATOM 1113 O PHE A 70 -9.704 5.832 6.216 1.00 40.23 O ATOM 1114 CB PHE A 70 -9.293 6.451 2.892 1.00 52.42 C ATOM 1115 CG PHE A 70 -8.485 7.016 1.747 1.00 72.30 C ATOM 1116 CD1 PHE A 70 -8.527 8.371 1.452 1.00 15.00 C ATOM 1117 CD2 PHE A 70 -7.699 6.189 0.955 1.00 54.11 C ATOM 1118 CE1 PHE A 70 -7.804 8.888 0.392 1.00 1.32 C ATOM 1119 CE2 PHE A 70 -6.973 6.703 -0.103 1.00 62.24 C ATOM 1120 CZ PHE A 70 -7.026 8.053 -0.384 1.00 13.53 C ATOM 0 H PHE A 70 -7.136 6.034 4.076 1.00 42.30 H new ATOM 0 HA PHE A 70 -9.012 8.150 4.205 1.00 41.10 H new ATOM 0 HB2 PHE A 70 -9.129 5.374 2.940 1.00 52.42 H new ATOM 0 HB3 PHE A 70 -10.352 6.603 2.683 1.00 52.42 H new ATOM 0 HD1 PHE A 70 -9.132 9.030 2.057 1.00 15.00 H new ATOM 0 HD2 PHE A 70 -7.654 5.131 1.168 1.00 54.11 H new ATOM 0 HE1 PHE A 70 -7.848 9.944 0.172 1.00 1.32 H new ATOM 0 HE2 PHE A 70 -6.365 6.048 -0.709 1.00 62.24 H new ATOM 0 HZ PHE A 70 -6.459 8.456 -1.210 1.00 13.53 H new ATOM 1130 N ASP A 71 -11.254 7.041 5.113 1.00 52.14 N ATOM 1131 CA ASP A 71 -12.370 6.613 5.959 1.00 45.42 C ATOM 1132 C ASP A 71 -12.588 5.089 5.860 1.00 34.21 C ATOM 1133 O ASP A 71 -12.522 4.505 4.774 1.00 74.22 O ATOM 1134 CB ASP A 71 -13.648 7.356 5.550 1.00 41.33 C ATOM 1135 CG ASP A 71 -13.502 8.866 5.631 1.00 2.41 C ATOM 1136 OD1 ASP A 71 -12.827 9.453 4.755 1.00 41.44 O ATOM 1137 OD2 ASP A 71 -14.075 9.478 6.557 1.00 41.02 O ATOM 0 H ASP A 71 -11.513 7.708 4.386 1.00 52.14 H new ATOM 0 HA ASP A 71 -12.128 6.854 6.994 1.00 45.42 H new ATOM 0 HB2 ASP A 71 -13.916 7.075 4.531 1.00 41.33 H new ATOM 0 HB3 ASP A 71 -14.469 7.040 6.194 1.00 41.33 H new ATOM 1142 N TYR A 72 -12.849 4.454 6.999 1.00 43.03 N ATOM 1143 CA TYR A 72 -13.062 3.002 7.056 1.00 34.02 C ATOM 1144 C TYR A 72 -14.302 2.576 6.238 1.00 43.15 C ATOM 1145 O TYR A 72 -15.405 3.082 6.454 1.00 71.01 O ATOM 1146 CB TYR A 72 -13.196 2.555 8.523 1.00 61.01 C ATOM 1147 CG TYR A 72 -13.234 1.049 8.715 1.00 4.22 C ATOM 1148 CD1 TYR A 72 -12.346 0.215 8.039 1.00 62.21 C ATOM 1149 CD2 TYR A 72 -14.155 0.460 9.573 1.00 51.03 C ATOM 1150 CE1 TYR A 72 -12.379 -1.156 8.213 1.00 24.22 C ATOM 1151 CE2 TYR A 72 -14.195 -0.910 9.751 1.00 43.01 C ATOM 1152 CZ TYR A 72 -13.304 -1.715 9.068 1.00 11.13 C ATOM 1153 OH TYR A 72 -13.340 -3.082 9.242 1.00 45.21 O ATOM 0 H TYR A 72 -12.919 4.921 7.903 1.00 43.03 H new ATOM 0 HA TYR A 72 -12.197 2.511 6.609 1.00 34.02 H new ATOM 0 HB2 TYR A 72 -12.360 2.961 9.092 1.00 61.01 H new ATOM 0 HB3 TYR A 72 -14.106 2.986 8.941 1.00 61.01 H new ATOM 0 HD1 TYR A 72 -11.619 0.647 7.367 1.00 62.21 H new ATOM 0 HD2 TYR A 72 -14.853 1.085 10.111 1.00 51.03 H new ATOM 0 HE1 TYR A 72 -11.682 -1.787 7.681 1.00 24.22 H new ATOM 0 HE2 TYR A 72 -14.919 -1.349 10.421 1.00 43.01 H new ATOM 0 HH TYR A 72 -14.049 -3.312 9.878 1.00 45.21 H new ATOM 1163 N ASN A 73 -14.096 1.636 5.306 1.00 34.31 N ATOM 1164 CA ASN A 73 -15.146 1.156 4.382 1.00 70.21 C ATOM 1165 C ASN A 73 -15.562 2.216 3.344 1.00 60.21 C ATOM 1166 O ASN A 73 -16.614 2.090 2.713 1.00 40.43 O ATOM 1167 CB ASN A 73 -16.387 0.649 5.138 1.00 0.33 C ATOM 1168 CG ASN A 73 -16.148 -0.683 5.827 1.00 42.13 C ATOM 1169 OD1 ASN A 73 -16.284 -1.741 5.223 1.00 35.02 O ATOM 1170 ND2 ASN A 73 -15.814 -0.648 7.097 1.00 53.11 N ATOM 0 H ASN A 73 -13.194 1.181 5.167 1.00 34.31 H new ATOM 0 HA ASN A 73 -14.699 0.322 3.842 1.00 70.21 H new ATOM 0 HB2 ASN A 73 -16.683 1.390 5.881 1.00 0.33 H new ATOM 0 HB3 ASN A 73 -17.217 0.548 4.439 1.00 0.33 H new ATOM 0 HD21 ASN A 73 -15.660 -1.517 7.608 1.00 53.11 H new ATOM 0 HD22 ASN A 73 -15.708 0.248 7.572 1.00 53.11 H new ATOM 1177 N ALA A 74 -14.739 3.245 3.146 1.00 24.21 N ATOM 1178 CA ALA A 74 -15.009 4.248 2.105 1.00 23.11 C ATOM 1179 C ALA A 74 -14.580 3.743 0.721 1.00 44.23 C ATOM 1180 O ALA A 74 -13.594 3.012 0.596 1.00 71.21 O ATOM 1181 CB ALA A 74 -14.306 5.560 2.431 1.00 53.04 C ATOM 0 H ALA A 74 -13.888 3.409 3.684 1.00 24.21 H new ATOM 0 HA ALA A 74 -16.085 4.423 2.082 1.00 23.11 H new ATOM 0 HB1 ALA A 74 -14.517 6.290 1.650 1.00 53.04 H new ATOM 0 HB2 ALA A 74 -14.666 5.938 3.388 1.00 53.04 H new ATOM 0 HB3 ALA A 74 -13.231 5.392 2.489 1.00 53.04 H new ATOM 1187 N ARG A 75 -15.317 4.141 -0.316 1.00 13.43 N ATOM 1188 CA ARG A 75 -15.021 3.708 -1.687 1.00 55.23 C ATOM 1189 C ARG A 75 -13.726 4.342 -2.215 1.00 31.32 C ATOM 1190 O ARG A 75 -13.641 5.560 -2.395 1.00 63.24 O ATOM 1191 CB ARG A 75 -16.192 4.044 -2.624 1.00 63.42 C ATOM 1192 CG ARG A 75 -17.413 3.146 -2.455 1.00 73.20 C ATOM 1193 CD ARG A 75 -18.551 3.573 -3.374 1.00 24.32 C ATOM 1194 NE ARG A 75 -19.656 2.619 -3.370 1.00 74.43 N ATOM 1195 CZ ARG A 75 -20.915 2.952 -3.424 1.00 72.45 C ATOM 1196 NH1 ARG A 75 -21.278 4.195 -3.424 1.00 52.11 N ATOM 1197 NH2 ARG A 75 -21.815 2.028 -3.471 1.00 52.43 N ATOM 0 H ARG A 75 -16.123 4.761 -0.236 1.00 13.43 H new ATOM 0 HA ARG A 75 -14.881 2.627 -1.664 1.00 55.23 H new ATOM 0 HB2 ARG A 75 -16.491 5.078 -2.455 1.00 63.42 H new ATOM 0 HB3 ARG A 75 -15.847 3.976 -3.656 1.00 63.42 H new ATOM 0 HG2 ARG A 75 -17.139 2.113 -2.669 1.00 73.20 H new ATOM 0 HG3 ARG A 75 -17.749 3.178 -1.419 1.00 73.20 H new ATOM 0 HD2 ARG A 75 -18.918 4.551 -3.063 1.00 24.32 H new ATOM 0 HD3 ARG A 75 -18.172 3.682 -4.390 1.00 24.32 H new ATOM 0 HE ARG A 75 -19.428 1.626 -3.322 1.00 74.43 H new ATOM 0 HH11 ARG A 75 -20.574 4.932 -3.381 1.00 52.11 H new ATOM 0 HH12 ARG A 75 -22.268 4.437 -3.467 1.00 52.11 H new ATOM 0 HH21 ARG A 75 -21.539 1.046 -3.466 1.00 52.43 H new ATOM 0 HH22 ARG A 75 -22.803 2.280 -3.513 1.00 52.43 H new ATOM 1211 N VAL A 76 -12.723 3.503 -2.464 1.00 13.21 N ATOM 1212 CA VAL A 76 -11.437 3.949 -3.009 1.00 74.00 C ATOM 1213 C VAL A 76 -11.059 3.147 -4.267 1.00 63.23 C ATOM 1214 O VAL A 76 -11.281 1.939 -4.332 1.00 64.42 O ATOM 1215 CB VAL A 76 -10.302 3.816 -1.957 1.00 41.45 C ATOM 1216 CG1 VAL A 76 -10.553 4.736 -0.767 1.00 71.52 C ATOM 1217 CG2 VAL A 76 -10.151 2.366 -1.496 1.00 74.33 C ATOM 0 H VAL A 76 -12.775 2.498 -2.295 1.00 13.21 H new ATOM 0 HA VAL A 76 -11.551 5.000 -3.276 1.00 74.00 H new ATOM 0 HB VAL A 76 -9.369 4.120 -2.431 1.00 41.45 H new ATOM 0 HG11 VAL A 76 -9.745 4.625 -0.044 1.00 71.52 H new ATOM 0 HG12 VAL A 76 -10.594 5.770 -1.109 1.00 71.52 H new ATOM 0 HG13 VAL A 76 -11.500 4.472 -0.296 1.00 71.52 H new ATOM 0 HG21 VAL A 76 -9.350 2.300 -0.760 1.00 74.33 H new ATOM 0 HG22 VAL A 76 -11.085 2.028 -1.047 1.00 74.33 H new ATOM 0 HG23 VAL A 76 -9.910 1.735 -2.352 1.00 74.33 H new ATOM 1227 N GLU A 77 -10.496 3.820 -5.268 1.00 61.52 N ATOM 1228 CA GLU A 77 -10.052 3.152 -6.499 1.00 74.43 C ATOM 1229 C GLU A 77 -8.553 3.375 -6.746 1.00 70.20 C ATOM 1230 O GLU A 77 -7.962 4.349 -6.266 1.00 12.34 O ATOM 1231 CB GLU A 77 -10.878 3.623 -7.710 1.00 63.31 C ATOM 1232 CG GLU A 77 -10.799 5.123 -7.989 1.00 41.25 C ATOM 1233 CD GLU A 77 -11.573 5.526 -9.239 1.00 72.02 C ATOM 1234 OE1 GLU A 77 -12.817 5.608 -9.173 1.00 3.15 O ATOM 1235 OE2 GLU A 77 -10.940 5.732 -10.296 1.00 34.33 O ATOM 0 H GLU A 77 -10.335 4.827 -5.255 1.00 61.52 H new ATOM 0 HA GLU A 77 -10.215 2.082 -6.370 1.00 74.43 H new ATOM 0 HB2 GLU A 77 -10.541 3.084 -8.595 1.00 63.31 H new ATOM 0 HB3 GLU A 77 -11.921 3.351 -7.550 1.00 63.31 H new ATOM 0 HG2 GLU A 77 -11.190 5.670 -7.131 1.00 41.25 H new ATOM 0 HG3 GLU A 77 -9.755 5.414 -8.103 1.00 41.25 H new ATOM 1242 N LEU A 78 -7.942 2.463 -7.497 1.00 2.51 N ATOM 1243 CA LEU A 78 -6.494 2.482 -7.721 1.00 54.12 C ATOM 1244 C LEU A 78 -6.120 3.117 -9.064 1.00 60.53 C ATOM 1245 O LEU A 78 -6.553 2.662 -10.128 1.00 13.21 O ATOM 1246 CB LEU A 78 -5.935 1.056 -7.650 1.00 52.53 C ATOM 1247 CG LEU A 78 -6.041 0.382 -6.275 1.00 2.52 C ATOM 1248 CD1 LEU A 78 -5.487 -1.042 -6.325 1.00 15.53 C ATOM 1249 CD2 LEU A 78 -5.315 1.214 -5.220 1.00 1.53 C ATOM 0 H LEU A 78 -8.427 1.697 -7.964 1.00 2.51 H new ATOM 0 HA LEU A 78 -6.054 3.095 -6.935 1.00 54.12 H new ATOM 0 HB2 LEU A 78 -6.460 0.440 -8.380 1.00 52.53 H new ATOM 0 HB3 LEU A 78 -4.886 1.078 -7.946 1.00 52.53 H new ATOM 0 HG LEU A 78 -7.094 0.321 -5.999 1.00 2.52 H new ATOM 0 HD11 LEU A 78 -5.572 -1.500 -5.340 1.00 15.53 H new ATOM 0 HD12 LEU A 78 -6.054 -1.628 -7.048 1.00 15.53 H new ATOM 0 HD13 LEU A 78 -4.439 -1.014 -6.623 1.00 15.53 H new ATOM 0 HD21 LEU A 78 -5.398 0.724 -4.250 1.00 1.53 H new ATOM 0 HD22 LEU A 78 -4.263 1.307 -5.490 1.00 1.53 H new ATOM 0 HD23 LEU A 78 -5.765 2.205 -5.166 1.00 1.53 H new ATOM 1261 N ILE A 79 -5.307 4.164 -9.005 1.00 53.11 N ATOM 1262 CA ILE A 79 -4.756 4.786 -10.205 1.00 3.13 C ATOM 1263 C ILE A 79 -3.683 3.882 -10.830 1.00 50.00 C ATOM 1264 O ILE A 79 -2.604 3.710 -10.265 1.00 44.12 O ATOM 1265 CB ILE A 79 -4.138 6.174 -9.885 1.00 3.44 C ATOM 1266 CG1 ILE A 79 -5.197 7.112 -9.276 1.00 23.40 C ATOM 1267 CG2 ILE A 79 -3.517 6.800 -11.137 1.00 61.12 C ATOM 1268 CD1 ILE A 79 -6.371 7.397 -10.193 1.00 74.11 C ATOM 0 H ILE A 79 -5.012 4.604 -8.133 1.00 53.11 H new ATOM 0 HA ILE A 79 -5.574 4.923 -10.912 1.00 3.13 H new ATOM 0 HB ILE A 79 -3.344 6.029 -9.152 1.00 3.44 H new ATOM 0 HG12 ILE A 79 -5.570 6.670 -8.352 1.00 23.40 H new ATOM 0 HG13 ILE A 79 -4.721 8.055 -9.009 1.00 23.40 H new ATOM 0 HG21 ILE A 79 -3.091 7.771 -10.885 1.00 61.12 H new ATOM 0 HG22 ILE A 79 -2.732 6.148 -11.519 1.00 61.12 H new ATOM 0 HG23 ILE A 79 -4.285 6.927 -11.900 1.00 61.12 H new ATOM 0 HD11 ILE A 79 -7.071 8.064 -9.691 1.00 74.11 H new ATOM 0 HD12 ILE A 79 -6.012 7.869 -11.108 1.00 74.11 H new ATOM 0 HD13 ILE A 79 -6.875 6.463 -10.441 1.00 74.11 H new ATOM 1280 N ASN A 80 -4.012 3.283 -11.973 1.00 41.41 N ATOM 1281 CA ASN A 80 -3.070 2.437 -12.728 1.00 24.22 C ATOM 1282 C ASN A 80 -2.485 1.282 -11.877 1.00 63.31 C ATOM 1283 O ASN A 80 -1.295 1.272 -11.556 1.00 54.04 O ATOM 1284 CB ASN A 80 -1.938 3.304 -13.299 1.00 33.31 C ATOM 1285 CG ASN A 80 -2.457 4.500 -14.074 1.00 14.12 C ATOM 1286 OD1 ASN A 80 -3.521 4.452 -14.687 1.00 30.43 O ATOM 1287 ND2 ASN A 80 -1.713 5.590 -14.062 1.00 74.11 N ATOM 0 H ASN A 80 -4.932 3.365 -12.406 1.00 41.41 H new ATOM 0 HA ASN A 80 -3.630 1.974 -13.540 1.00 24.22 H new ATOM 0 HB2 ASN A 80 -1.304 3.651 -12.483 1.00 33.31 H new ATOM 0 HB3 ASN A 80 -1.313 2.695 -13.952 1.00 33.31 H new ATOM 0 HD21 ASN A 80 -2.017 6.421 -14.570 1.00 74.11 H new ATOM 0 HD22 ASN A 80 -0.834 5.602 -13.545 1.00 74.11 H new ATOM 1294 N PRO A 81 -3.326 0.308 -11.474 1.00 1.12 N ATOM 1295 CA PRO A 81 -2.879 -0.860 -10.696 1.00 14.54 C ATOM 1296 C PRO A 81 -2.263 -1.981 -11.561 1.00 23.42 C ATOM 1297 O PRO A 81 -2.780 -2.311 -12.629 1.00 54.51 O ATOM 1298 CB PRO A 81 -4.179 -1.334 -10.040 1.00 11.43 C ATOM 1299 CG PRO A 81 -5.245 -0.983 -11.027 1.00 63.24 C ATOM 1300 CD PRO A 81 -4.780 0.270 -11.732 1.00 4.20 C ATOM 0 HA PRO A 81 -2.082 -0.604 -9.998 1.00 14.54 H new ATOM 0 HB2 PRO A 81 -4.157 -2.406 -9.844 1.00 11.43 H new ATOM 0 HB3 PRO A 81 -4.345 -0.838 -9.083 1.00 11.43 H new ATOM 0 HG2 PRO A 81 -5.398 -1.795 -11.738 1.00 63.24 H new ATOM 0 HG3 PRO A 81 -6.198 -0.815 -10.526 1.00 63.24 H new ATOM 0 HD2 PRO A 81 -4.995 0.230 -12.800 1.00 4.20 H new ATOM 0 HD3 PRO A 81 -5.278 1.157 -11.340 1.00 4.20 H new ATOM 1308 N ILE A 82 -1.160 -2.567 -11.089 1.00 64.35 N ATOM 1309 CA ILE A 82 -0.537 -3.722 -11.757 1.00 64.23 C ATOM 1310 C ILE A 82 -0.481 -4.942 -10.814 1.00 54.12 C ATOM 1311 O ILE A 82 -0.238 -4.806 -9.611 1.00 35.03 O ATOM 1312 CB ILE A 82 0.906 -3.406 -12.247 1.00 25.32 C ATOM 1313 CG1 ILE A 82 1.843 -3.152 -11.051 1.00 73.02 C ATOM 1314 CG2 ILE A 82 0.905 -2.208 -13.198 1.00 33.30 C ATOM 1315 CD1 ILE A 82 3.308 -3.046 -11.415 1.00 52.33 C ATOM 0 H ILE A 82 -0.676 -2.263 -10.245 1.00 64.35 H new ATOM 0 HA ILE A 82 -1.160 -3.949 -12.622 1.00 64.23 H new ATOM 0 HB ILE A 82 1.278 -4.273 -12.793 1.00 25.32 H new ATOM 0 HG12 ILE A 82 1.537 -2.231 -10.555 1.00 73.02 H new ATOM 0 HG13 ILE A 82 1.718 -3.959 -10.330 1.00 73.02 H new ATOM 0 HG21 ILE A 82 1.924 -2.005 -13.528 1.00 33.30 H new ATOM 0 HG22 ILE A 82 0.281 -2.431 -14.063 1.00 33.30 H new ATOM 0 HG23 ILE A 82 0.510 -1.333 -12.681 1.00 33.30 H new ATOM 0 HD11 ILE A 82 3.895 -2.867 -10.514 1.00 52.33 H new ATOM 0 HD12 ILE A 82 3.635 -3.975 -11.882 1.00 52.33 H new ATOM 0 HD13 ILE A 82 3.451 -2.220 -12.111 1.00 52.33 H new ATOM 1327 N ALA A 83 -0.706 -6.132 -11.365 1.00 25.30 N ATOM 1328 CA ALA A 83 -0.614 -7.371 -10.586 1.00 44.15 C ATOM 1329 C ALA A 83 0.854 -7.741 -10.338 1.00 63.21 C ATOM 1330 O ALA A 83 1.657 -7.778 -11.270 1.00 72.12 O ATOM 1331 CB ALA A 83 -1.342 -8.506 -11.302 1.00 4.14 C ATOM 0 H ALA A 83 -0.953 -6.268 -12.345 1.00 25.30 H new ATOM 0 HA ALA A 83 -1.094 -7.210 -9.621 1.00 44.15 H new ATOM 0 HB1 ALA A 83 -1.264 -9.418 -10.711 1.00 4.14 H new ATOM 0 HB2 ALA A 83 -2.392 -8.243 -11.427 1.00 4.14 H new ATOM 0 HB3 ALA A 83 -0.890 -8.668 -12.280 1.00 4.14 H new ATOM 1337 N ASP A 84 1.211 -8.003 -9.084 1.00 71.51 N ATOM 1338 CA ASP A 84 2.610 -8.255 -8.733 1.00 15.41 C ATOM 1339 C ASP A 84 3.088 -9.640 -9.220 1.00 32.23 C ATOM 1340 O ASP A 84 2.420 -10.660 -9.011 1.00 10.43 O ATOM 1341 CB ASP A 84 2.812 -8.119 -7.220 1.00 62.11 C ATOM 1342 CG ASP A 84 4.261 -7.851 -6.858 1.00 74.22 C ATOM 1343 OD1 ASP A 84 5.147 -8.603 -7.316 1.00 61.35 O ATOM 1344 OD2 ASP A 84 4.522 -6.867 -6.143 1.00 22.24 O ATOM 0 H ASP A 84 0.561 -8.047 -8.299 1.00 71.51 H new ATOM 0 HA ASP A 84 3.216 -7.505 -9.242 1.00 15.41 H new ATOM 0 HB2 ASP A 84 2.189 -7.308 -6.843 1.00 62.11 H new ATOM 0 HB3 ASP A 84 2.479 -9.032 -6.727 1.00 62.11 H new ATOM 1522 N TRP A 98 -3.042 -12.145 -2.620 1.00 0.41 N ATOM 1523 CA TRP A 98 -2.099 -11.555 -3.578 1.00 11.53 C ATOM 1524 C TRP A 98 -1.911 -10.030 -3.408 1.00 34.23 C ATOM 1525 O TRP A 98 -2.736 -9.331 -2.802 1.00 20.05 O ATOM 1526 CB TRP A 98 -2.530 -11.883 -5.020 1.00 73.43 C ATOM 1527 CG TRP A 98 -3.846 -11.285 -5.447 1.00 32.30 C ATOM 1528 CD1 TRP A 98 -5.017 -11.254 -4.739 1.00 20.41 C ATOM 1529 CD2 TRP A 98 -4.128 -10.657 -6.706 1.00 3.23 C ATOM 1530 NE1 TRP A 98 -5.998 -10.639 -5.476 1.00 75.45 N ATOM 1531 CE2 TRP A 98 -5.480 -10.266 -6.686 1.00 2.42 C ATOM 1532 CE3 TRP A 98 -3.366 -10.385 -7.846 1.00 33.05 C ATOM 1533 CZ2 TRP A 98 -6.083 -9.617 -7.761 1.00 72.34 C ATOM 1534 CZ3 TRP A 98 -3.966 -9.743 -8.913 1.00 61.31 C ATOM 1535 CH2 TRP A 98 -5.314 -9.365 -8.864 1.00 3.45 C ATOM 0 HA TRP A 98 -1.129 -12.005 -3.368 1.00 11.53 H new ATOM 0 HB2 TRP A 98 -1.753 -11.537 -5.702 1.00 73.43 H new ATOM 0 HB3 TRP A 98 -2.589 -12.966 -5.127 1.00 73.43 H new ATOM 0 HD1 TRP A 98 -5.150 -11.655 -3.745 1.00 20.41 H new ATOM 0 HE1 TRP A 98 -6.959 -10.485 -5.171 1.00 75.45 H new ATOM 0 HE3 TRP A 98 -2.326 -10.672 -7.892 1.00 33.05 H new ATOM 0 HZ2 TRP A 98 -7.122 -9.323 -7.725 1.00 72.34 H new ATOM 0 HZ3 TRP A 98 -3.386 -9.529 -9.799 1.00 61.31 H new ATOM 0 HH2 TRP A 98 -5.755 -8.865 -9.714 1.00 3.45 H new ATOM 1546 N TYR A 99 -0.798 -9.536 -3.962 1.00 52.01 N ATOM 1547 CA TYR A 99 -0.425 -8.120 -3.882 1.00 72.11 C ATOM 1548 C TYR A 99 -0.613 -7.407 -5.233 1.00 62.14 C ATOM 1549 O TYR A 99 -0.370 -7.984 -6.298 1.00 54.55 O ATOM 1550 CB TYR A 99 1.046 -7.985 -3.445 1.00 11.31 C ATOM 1551 CG TYR A 99 1.329 -8.419 -2.014 1.00 22.44 C ATOM 1552 CD1 TYR A 99 1.206 -9.750 -1.626 1.00 1.13 C ATOM 1553 CD2 TYR A 99 1.740 -7.496 -1.057 1.00 70.44 C ATOM 1554 CE1 TYR A 99 1.478 -10.145 -0.329 1.00 31.21 C ATOM 1555 CE2 TYR A 99 2.012 -7.882 0.243 1.00 20.31 C ATOM 1556 CZ TYR A 99 1.879 -9.208 0.602 1.00 64.23 C ATOM 1557 OH TYR A 99 2.156 -9.595 1.896 1.00 71.42 O ATOM 0 H TYR A 99 -0.130 -10.108 -4.479 1.00 52.01 H new ATOM 0 HA TYR A 99 -1.080 -7.651 -3.148 1.00 72.11 H new ATOM 0 HB2 TYR A 99 1.666 -8.576 -4.119 1.00 11.31 H new ATOM 0 HB3 TYR A 99 1.351 -6.945 -3.561 1.00 11.31 H new ATOM 0 HD1 TYR A 99 0.893 -10.487 -2.350 1.00 1.13 H new ATOM 0 HD2 TYR A 99 1.849 -6.458 -1.335 1.00 70.44 H new ATOM 0 HE1 TYR A 99 1.377 -11.182 -0.046 1.00 31.21 H new ATOM 0 HE2 TYR A 99 2.326 -7.150 0.973 1.00 20.31 H new ATOM 0 HH TYR A 99 2.426 -8.813 2.421 1.00 71.42 H new ATOM 1567 N ILE A 100 -1.034 -6.147 -5.173 1.00 14.25 N ATOM 1568 CA ILE A 100 -1.183 -5.302 -6.364 1.00 72.44 C ATOM 1569 C ILE A 100 -0.524 -3.937 -6.134 1.00 21.34 C ATOM 1570 O ILE A 100 -0.751 -3.296 -5.110 1.00 51.10 O ATOM 1571 CB ILE A 100 -2.679 -5.081 -6.727 1.00 71.42 C ATOM 1572 CG1 ILE A 100 -3.403 -6.425 -6.912 1.00 44.12 C ATOM 1573 CG2 ILE A 100 -2.813 -4.220 -7.988 1.00 21.15 C ATOM 1574 CD1 ILE A 100 -4.888 -6.281 -7.175 1.00 31.43 C ATOM 0 H ILE A 100 -1.282 -5.679 -4.301 1.00 14.25 H new ATOM 0 HA ILE A 100 -0.695 -5.820 -7.189 1.00 72.44 H new ATOM 0 HB ILE A 100 -3.150 -4.551 -5.899 1.00 71.42 H new ATOM 0 HG12 ILE A 100 -2.946 -6.964 -7.742 1.00 44.12 H new ATOM 0 HG13 ILE A 100 -3.258 -7.033 -6.019 1.00 44.12 H new ATOM 0 HG21 ILE A 100 -3.868 -4.079 -8.222 1.00 21.15 H new ATOM 0 HG22 ILE A 100 -2.347 -3.250 -7.817 1.00 21.15 H new ATOM 0 HG23 ILE A 100 -2.320 -4.718 -8.823 1.00 21.15 H new ATOM 0 HD11 ILE A 100 -5.334 -7.268 -7.295 1.00 31.43 H new ATOM 0 HD12 ILE A 100 -5.359 -5.770 -6.335 1.00 31.43 H new ATOM 0 HD13 ILE A 100 -5.042 -5.700 -8.085 1.00 31.43 H new ATOM 1586 N LYS A 101 0.286 -3.491 -7.085 1.00 13.42 N ATOM 1587 CA LYS A 101 1.008 -2.223 -6.941 1.00 2.33 C ATOM 1588 C LYS A 101 0.443 -1.153 -7.881 1.00 75.10 C ATOM 1589 O LYS A 101 0.343 -1.365 -9.084 1.00 31.11 O ATOM 1590 CB LYS A 101 2.506 -2.437 -7.193 1.00 35.22 C ATOM 1591 CG LYS A 101 3.099 -3.528 -6.308 1.00 53.33 C ATOM 1592 CD LYS A 101 4.615 -3.430 -6.200 1.00 34.05 C ATOM 1593 CE LYS A 101 5.322 -3.689 -7.525 1.00 62.13 C ATOM 1594 NZ LYS A 101 5.212 -5.112 -7.939 1.00 12.24 N ATOM 0 H LYS A 101 0.462 -3.981 -7.962 1.00 13.42 H new ATOM 0 HA LYS A 101 0.874 -1.866 -5.920 1.00 2.33 H new ATOM 0 HB2 LYS A 101 2.661 -2.699 -8.240 1.00 35.22 H new ATOM 0 HB3 LYS A 101 3.038 -1.502 -7.016 1.00 35.22 H new ATOM 0 HG2 LYS A 101 2.662 -3.461 -5.312 1.00 53.33 H new ATOM 0 HG3 LYS A 101 2.829 -4.505 -6.710 1.00 53.33 H new ATOM 0 HD2 LYS A 101 4.885 -2.438 -5.838 1.00 34.05 H new ATOM 0 HD3 LYS A 101 4.969 -4.147 -5.459 1.00 34.05 H new ATOM 0 HE2 LYS A 101 4.892 -3.051 -8.297 1.00 62.13 H new ATOM 0 HE3 LYS A 101 6.374 -3.416 -7.435 1.00 62.13 H new ATOM 0 HZ1 LYS A 101 5.947 -5.326 -8.643 1.00 12.24 H new ATOM 0 HZ2 LYS A 101 5.338 -5.726 -7.109 1.00 12.24 H new ATOM 0 HZ3 LYS A 101 4.274 -5.281 -8.355 1.00 12.24 H new ATOM 1608 N ALA A 102 0.075 -0.005 -7.326 1.00 43.54 N ATOM 1609 CA ALA A 102 -0.600 1.045 -8.102 1.00 33.14 C ATOM 1610 C ALA A 102 0.226 2.335 -8.187 1.00 63.33 C ATOM 1611 O ALA A 102 1.156 2.551 -7.406 1.00 42.30 O ATOM 1612 CB ALA A 102 -1.972 1.339 -7.500 1.00 72.45 C ATOM 0 H ALA A 102 0.229 0.229 -6.345 1.00 43.54 H new ATOM 0 HA ALA A 102 -0.716 0.671 -9.119 1.00 33.14 H new ATOM 0 HB1 ALA A 102 -2.465 2.118 -8.081 1.00 72.45 H new ATOM 0 HB2 ALA A 102 -2.579 0.434 -7.518 1.00 72.45 H new ATOM 0 HB3 ALA A 102 -1.853 1.675 -6.470 1.00 72.45 H new ATOM 1618 N ASP A 103 -0.137 3.188 -9.142 1.00 73.40 N ATOM 1619 CA ASP A 103 0.492 4.501 -9.311 1.00 1.10 C ATOM 1620 C ASP A 103 0.038 5.467 -8.195 1.00 44.43 C ATOM 1621 O ASP A 103 0.773 6.378 -7.803 1.00 21.34 O ATOM 1622 CB ASP A 103 0.126 5.046 -10.703 1.00 62.31 C ATOM 1623 CG ASP A 103 0.875 6.311 -11.081 1.00 20.05 C ATOM 1624 OD1 ASP A 103 2.116 6.330 -10.960 1.00 61.31 O ATOM 1625 OD2 ASP A 103 0.226 7.280 -11.531 1.00 4.24 O ATOM 0 H ASP A 103 -0.873 2.992 -9.820 1.00 73.40 H new ATOM 0 HA ASP A 103 1.575 4.407 -9.236 1.00 1.10 H new ATOM 0 HB2 ASP A 103 0.329 4.278 -11.449 1.00 62.31 H new ATOM 0 HB3 ASP A 103 -0.945 5.246 -10.735 1.00 62.31 H new ATOM 1630 N ASP A 104 -1.182 5.248 -7.690 1.00 22.24 N ATOM 1631 CA ASP A 104 -1.732 6.035 -6.571 1.00 44.44 C ATOM 1632 C ASP A 104 -3.094 5.476 -6.110 1.00 24.12 C ATOM 1633 O ASP A 104 -3.736 4.705 -6.824 1.00 61.14 O ATOM 1634 CB ASP A 104 -1.863 7.517 -6.977 1.00 54.24 C ATOM 1635 CG ASP A 104 -2.308 8.426 -5.838 1.00 74.32 C ATOM 1636 OD1 ASP A 104 -1.967 8.148 -4.664 1.00 34.50 O ATOM 1637 OD2 ASP A 104 -2.983 9.439 -6.115 1.00 1.24 O ATOM 0 H ASP A 104 -1.814 4.528 -8.039 1.00 22.24 H new ATOM 0 HA ASP A 104 -1.041 5.960 -5.731 1.00 44.44 H new ATOM 0 HB2 ASP A 104 -0.903 7.867 -7.356 1.00 54.24 H new ATOM 0 HB3 ASP A 104 -2.578 7.599 -7.796 1.00 54.24 H new ATOM 1642 N ILE A 105 -3.517 5.861 -4.904 1.00 21.52 N ATOM 1643 CA ILE A 105 -4.808 5.430 -4.349 1.00 30.03 C ATOM 1644 C ILE A 105 -5.716 6.643 -4.081 1.00 20.52 C ATOM 1645 O ILE A 105 -5.366 7.526 -3.295 1.00 13.13 O ATOM 1646 CB ILE A 105 -4.621 4.648 -3.021 1.00 12.22 C ATOM 1647 CG1 ILE A 105 -3.580 3.527 -3.193 1.00 13.31 C ATOM 1648 CG2 ILE A 105 -5.956 4.076 -2.540 1.00 54.50 C ATOM 1649 CD1 ILE A 105 -3.336 2.716 -1.938 1.00 71.53 C ATOM 0 H ILE A 105 -2.983 6.474 -4.288 1.00 21.52 H new ATOM 0 HA ILE A 105 -5.271 4.775 -5.088 1.00 30.03 H new ATOM 0 HB ILE A 105 -4.254 5.341 -2.264 1.00 12.22 H new ATOM 0 HG12 ILE A 105 -3.910 2.858 -3.988 1.00 13.31 H new ATOM 0 HG13 ILE A 105 -2.637 3.967 -3.518 1.00 13.31 H new ATOM 0 HG21 ILE A 105 -5.804 3.531 -1.608 1.00 54.50 H new ATOM 0 HG22 ILE A 105 -6.662 4.890 -2.374 1.00 54.50 H new ATOM 0 HG23 ILE A 105 -6.355 3.399 -3.295 1.00 54.50 H new ATOM 0 HD11 ILE A 105 -2.591 1.947 -2.141 1.00 71.53 H new ATOM 0 HD12 ILE A 105 -2.975 3.372 -1.146 1.00 71.53 H new ATOM 0 HD13 ILE A 105 -4.267 2.245 -1.623 1.00 71.53 H new ATOM 1661 N VAL A 106 -6.882 6.683 -4.727 1.00 73.45 N ATOM 1662 CA VAL A 106 -7.814 7.815 -4.580 1.00 73.24 C ATOM 1663 C VAL A 106 -9.235 7.344 -4.232 1.00 3.34 C ATOM 1664 O VAL A 106 -9.515 6.149 -4.208 1.00 63.04 O ATOM 1665 CB VAL A 106 -7.870 8.677 -5.870 1.00 51.20 C ATOM 1666 CG1 VAL A 106 -6.502 9.284 -6.187 1.00 74.22 C ATOM 1667 CG2 VAL A 106 -8.383 7.855 -7.052 1.00 21.03 C ATOM 0 H VAL A 106 -7.208 5.950 -5.357 1.00 73.45 H new ATOM 0 HA VAL A 106 -7.431 8.421 -3.759 1.00 73.24 H new ATOM 0 HB VAL A 106 -8.569 9.495 -5.694 1.00 51.20 H new ATOM 0 HG11 VAL A 106 -6.571 9.882 -7.095 1.00 74.22 H new ATOM 0 HG12 VAL A 106 -6.184 9.917 -5.359 1.00 74.22 H new ATOM 0 HG13 VAL A 106 -5.775 8.485 -6.333 1.00 74.22 H new ATOM 0 HG21 VAL A 106 -8.413 8.480 -7.944 1.00 21.03 H new ATOM 0 HG22 VAL A 106 -7.717 7.010 -7.224 1.00 21.03 H new ATOM 0 HG23 VAL A 106 -9.385 7.488 -6.832 1.00 21.03 H new ATOM 1677 N LEU A 107 -10.130 8.294 -3.958 1.00 4.44 N ATOM 1678 CA LEU A 107 -11.535 7.979 -3.674 1.00 61.41 C ATOM 1679 C LEU A 107 -12.304 7.669 -4.970 1.00 43.22 C ATOM 1680 O LEU A 107 -12.215 8.418 -5.946 1.00 70.40 O ATOM 1681 CB LEU A 107 -12.205 9.149 -2.938 1.00 14.12 C ATOM 1682 CG LEU A 107 -11.593 9.503 -1.571 1.00 33.34 C ATOM 1683 CD1 LEU A 107 -12.277 10.729 -0.968 1.00 2.13 C ATOM 1684 CD2 LEU A 107 -11.681 8.313 -0.615 1.00 63.32 C ATOM 0 H LEU A 107 -9.909 9.289 -3.926 1.00 4.44 H new ATOM 0 HA LEU A 107 -11.559 7.094 -3.038 1.00 61.41 H new ATOM 0 HB2 LEU A 107 -12.161 10.031 -3.577 1.00 14.12 H new ATOM 0 HB3 LEU A 107 -13.259 8.911 -2.795 1.00 14.12 H new ATOM 0 HG LEU A 107 -10.541 9.743 -1.724 1.00 33.34 H new ATOM 0 HD11 LEU A 107 -11.827 10.959 -0.002 1.00 2.13 H new ATOM 0 HD12 LEU A 107 -12.154 11.580 -1.638 1.00 2.13 H new ATOM 0 HD13 LEU A 107 -13.339 10.524 -0.833 1.00 2.13 H new ATOM 0 HD21 LEU A 107 -11.243 8.585 0.345 1.00 63.32 H new ATOM 0 HD22 LEU A 107 -12.726 8.038 -0.472 1.00 63.32 H new ATOM 0 HD23 LEU A 107 -11.137 7.467 -1.036 1.00 63.32 H new ATOM 1696 N THR A 108 -13.064 6.571 -4.964 1.00 4.14 N ATOM 1697 CA THR A 108 -13.816 6.127 -6.151 1.00 71.25 C ATOM 1698 C THR A 108 -14.754 7.220 -6.683 1.00 73.34 C ATOM 1699 O THR A 108 -15.376 7.952 -5.910 1.00 42.02 O ATOM 1700 CB THR A 108 -14.655 4.855 -5.855 1.00 5.32 C ATOM 1701 OG1 THR A 108 -13.804 3.784 -5.421 1.00 10.20 O ATOM 1702 CG2 THR A 108 -15.446 4.398 -7.081 1.00 60.43 C ATOM 0 H THR A 108 -13.178 5.968 -4.149 1.00 4.14 H new ATOM 0 HA THR A 108 -13.067 5.901 -6.910 1.00 71.25 H new ATOM 0 HB THR A 108 -15.360 5.113 -5.065 1.00 5.32 H new ATOM 0 HG1 THR A 108 -14.347 2.989 -5.236 1.00 10.20 H new ATOM 0 HG21 THR A 108 -16.020 3.505 -6.832 1.00 60.43 H new ATOM 0 HG22 THR A 108 -16.126 5.191 -7.392 1.00 60.43 H new ATOM 0 HG23 THR A 108 -14.757 4.171 -7.895 1.00 60.43 H new