USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 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 32 GLN : amide:sc= 0.346 X(o=0.42,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 135:sc= 0.0739 USER MOD Single : A 19 GLN : amide:sc= -0.0475 X(o=-0.048,f=-0.049) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -0.216 (180deg=-0.71) USER MOD Single : A 33 SER OG : rot -32:sc= 0.907 USER MOD Single : A 34 SER OG : rot 55:sc= 0.935 USER MOD Single : A 41 ASN : amide:sc= -0.211 K(o=-0.21,f=-8.3!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 47 ASN : amide:sc= -0.627 K(o=-0.63,f=-4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc=-0.00972 (180deg=-0.0917) USER MOD Single : A 53 GLN : amide:sc= 0.727 K(o=0.73,f=-0.27) USER MOD Single : A 58 SER OG : rot -80:sc= 0.498 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc=-0.00212 (180deg=-0.05) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -1.66! USER MOD Single : A 71 LYS NZ :NH3+ 147:sc= -2.06! (180deg=-4.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 20:sc= 0.16 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -32:sc= 0.696 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 16.039 8.214 5.240 1.00 11.52 N ATOM 262 CA GLN A 19 14.805 8.797 5.794 1.00 11.54 C ATOM 263 C GLN A 19 14.014 7.783 6.645 1.00 10.32 C ATOM 264 O GLN A 19 14.107 6.567 6.444 1.00 74.35 O ATOM 265 CB GLN A 19 13.920 9.341 4.659 1.00 41.33 C ATOM 266 CG GLN A 19 14.614 10.368 3.765 1.00 62.22 C ATOM 267 CD GLN A 19 15.099 11.589 4.531 1.00 55.13 C ATOM 268 OE1 GLN A 19 16.220 11.625 5.025 1.00 70.34 O ATOM 269 NE2 GLN A 19 14.262 12.600 4.627 1.00 45.55 N ATOM 0 HA GLN A 19 15.098 9.616 6.451 1.00 11.54 H new ATOM 0 HB2 GLN A 19 13.584 8.507 4.043 1.00 41.33 H new ATOM 0 HB3 GLN A 19 13.030 9.796 5.093 1.00 41.33 H new ATOM 0 HG2 GLN A 19 15.462 9.896 3.269 1.00 62.22 H new ATOM 0 HG3 GLN A 19 13.924 10.686 2.983 1.00 62.22 H new ATOM 0 HE21 GLN A 19 13.336 12.537 4.204 1.00 45.55 H new ATOM 0 HE22 GLN A 19 14.539 13.446 5.124 1.00 45.55 H new ATOM 278 N ALA A 20 13.239 8.294 7.599 1.00 31.24 N ATOM 279 CA ALA A 20 12.461 7.449 8.513 1.00 3.21 C ATOM 280 C ALA A 20 11.001 7.268 8.058 1.00 22.22 C ATOM 281 O ALA A 20 10.256 8.241 7.912 1.00 4.14 O ATOM 282 CB ALA A 20 12.501 8.036 9.920 1.00 4.34 C ATOM 0 H ALA A 20 13.130 9.295 7.763 1.00 31.24 H new ATOM 0 HA ALA A 20 12.920 6.461 8.508 1.00 3.21 H new ATOM 0 HB1 ALA A 20 11.922 7.405 10.594 1.00 4.34 H new ATOM 0 HB2 ALA A 20 13.534 8.084 10.265 1.00 4.34 H new ATOM 0 HB3 ALA A 20 12.076 9.040 9.908 1.00 4.34 H new ATOM 288 N PHE A 21 10.599 6.013 7.848 1.00 32.40 N ATOM 289 CA PHE A 21 9.209 5.678 7.507 1.00 73.25 C ATOM 290 C PHE A 21 8.252 5.948 8.686 1.00 61.33 C ATOM 291 O PHE A 21 8.415 5.366 9.760 1.00 21.21 O ATOM 292 CB PHE A 21 9.100 4.190 7.126 1.00 53.13 C ATOM 293 CG PHE A 21 9.750 3.813 5.821 1.00 70.44 C ATOM 294 CD1 PHE A 21 9.190 4.206 4.614 1.00 43.51 C ATOM 295 CD2 PHE A 21 10.911 3.052 5.799 1.00 3.51 C ATOM 296 CE1 PHE A 21 9.773 3.850 3.415 1.00 23.21 C ATOM 297 CE2 PHE A 21 11.499 2.694 4.600 1.00 73.13 C ATOM 298 CZ PHE A 21 10.928 3.093 3.407 1.00 21.30 C ATOM 0 H PHE A 21 11.219 5.205 7.908 1.00 32.40 H new ATOM 0 HA PHE A 21 8.923 6.310 6.666 1.00 73.25 H new ATOM 0 HB2 PHE A 21 9.547 3.594 7.922 1.00 53.13 H new ATOM 0 HB3 PHE A 21 8.045 3.920 7.080 1.00 53.13 H new ATOM 0 HD1 PHE A 21 8.287 4.798 4.613 1.00 43.51 H new ATOM 0 HD2 PHE A 21 11.360 2.736 6.729 1.00 3.51 H new ATOM 0 HE1 PHE A 21 9.326 4.163 2.483 1.00 23.21 H new ATOM 0 HE2 PHE A 21 12.403 2.103 4.596 1.00 73.13 H new ATOM 0 HZ PHE A 21 11.384 2.813 2.469 1.00 21.30 H new ATOM 308 N PRO A 22 7.243 6.826 8.515 1.00 11.52 N ATOM 309 CA PRO A 22 6.189 6.993 9.520 1.00 13.43 C ATOM 310 C PRO A 22 5.128 5.880 9.411 1.00 51.30 C ATOM 311 O PRO A 22 4.216 5.950 8.590 1.00 22.33 O ATOM 312 CB PRO A 22 5.600 8.367 9.171 1.00 30.41 C ATOM 313 CG PRO A 22 5.807 8.505 7.694 1.00 2.14 C ATOM 314 CD PRO A 22 7.061 7.727 7.358 1.00 54.14 C ATOM 0 HA PRO A 22 6.557 6.931 10.544 1.00 13.43 H new ATOM 0 HB2 PRO A 22 4.543 8.422 9.430 1.00 30.41 H new ATOM 0 HB3 PRO A 22 6.104 9.164 9.718 1.00 30.41 H new ATOM 0 HG2 PRO A 22 4.950 8.115 7.145 1.00 2.14 H new ATOM 0 HG3 PRO A 22 5.915 9.553 7.414 1.00 2.14 H new ATOM 0 HD2 PRO A 22 6.947 7.167 6.430 1.00 54.14 H new ATOM 0 HD3 PRO A 22 7.918 8.388 7.228 1.00 54.14 H new ATOM 322 N ARG A 23 5.244 4.857 10.259 1.00 40.12 N ATOM 323 CA ARG A 23 4.419 3.647 10.110 1.00 11.12 C ATOM 324 C ARG A 23 3.016 3.787 10.719 1.00 23.03 C ATOM 325 O ARG A 23 2.094 3.100 10.288 1.00 32.32 O ATOM 326 CB ARG A 23 5.138 2.419 10.692 1.00 62.54 C ATOM 327 CG ARG A 23 5.675 2.612 12.107 1.00 3.11 C ATOM 328 CD ARG A 23 6.346 1.346 12.633 1.00 2.31 C ATOM 329 NE ARG A 23 6.984 1.556 13.932 1.00 62.44 N ATOM 330 CZ ARG A 23 7.679 0.652 14.564 1.00 2.51 C ATOM 331 NH1 ARG A 23 7.829 -0.536 14.063 1.00 4.50 N ATOM 332 NH2 ARG A 23 8.224 0.944 15.700 1.00 71.40 N ATOM 0 H ARG A 23 5.891 4.836 11.048 1.00 40.12 H new ATOM 0 HA ARG A 23 4.279 3.507 9.038 1.00 11.12 H new ATOM 0 HB2 ARG A 23 4.448 1.575 10.691 1.00 62.54 H new ATOM 0 HB3 ARG A 23 5.967 2.154 10.035 1.00 62.54 H new ATOM 0 HG2 ARG A 23 6.391 3.434 12.116 1.00 3.11 H new ATOM 0 HG3 ARG A 23 4.858 2.894 12.771 1.00 3.11 H new ATOM 0 HD2 ARG A 23 5.604 0.553 12.719 1.00 2.31 H new ATOM 0 HD3 ARG A 23 7.092 1.007 11.914 1.00 2.31 H new ATOM 0 HE ARG A 23 6.878 2.470 14.373 1.00 62.44 H new ATOM 0 HH11 ARG A 23 7.401 -0.769 13.167 1.00 4.50 H new ATOM 0 HH12 ARG A 23 8.375 -1.236 14.565 1.00 4.50 H new ATOM 0 HH21 ARG A 23 8.109 1.877 16.096 1.00 71.40 H new ATOM 0 HH22 ARG A 23 8.769 0.241 16.200 1.00 71.40 H new ATOM 346 N LYS A 24 2.842 4.663 11.705 1.00 53.14 N ATOM 347 CA LYS A 24 1.514 4.871 12.300 1.00 43.32 C ATOM 348 C LYS A 24 0.506 5.372 11.257 1.00 64.24 C ATOM 349 O LYS A 24 -0.574 4.805 11.108 1.00 35.45 O ATOM 350 CB LYS A 24 1.583 5.848 13.482 1.00 41.03 C ATOM 351 CG LYS A 24 2.281 5.269 14.706 1.00 51.24 C ATOM 352 CD LYS A 24 2.198 6.209 15.905 1.00 71.43 C ATOM 353 CE LYS A 24 2.575 5.501 17.201 1.00 41.14 C ATOM 354 NZ LYS A 24 1.690 4.335 17.473 1.00 52.22 N ATOM 0 H LYS A 24 3.586 5.234 12.107 1.00 53.14 H new ATOM 0 HA LYS A 24 1.171 3.905 12.670 1.00 43.32 H new ATOM 0 HB2 LYS A 24 2.107 6.751 13.167 1.00 41.03 H new ATOM 0 HB3 LYS A 24 0.571 6.146 13.757 1.00 41.03 H new ATOM 0 HG2 LYS A 24 1.828 4.311 14.963 1.00 51.24 H new ATOM 0 HG3 LYS A 24 3.327 5.074 14.469 1.00 51.24 H new ATOM 0 HD2 LYS A 24 2.862 7.059 15.748 1.00 71.43 H new ATOM 0 HD3 LYS A 24 1.186 6.606 15.988 1.00 71.43 H new ATOM 0 HE2 LYS A 24 3.611 5.166 17.144 1.00 41.14 H new ATOM 0 HE3 LYS A 24 2.513 6.205 18.031 1.00 41.14 H new ATOM 0 HZ1 LYS A 24 1.686 4.133 18.493 1.00 52.22 H new ATOM 0 HZ2 LYS A 24 0.723 4.553 17.159 1.00 52.22 H new ATOM 0 HZ3 LYS A 24 2.042 3.504 16.957 1.00 52.22 H new ATOM 368 N PHE A 25 0.876 6.425 10.528 1.00 15.53 N ATOM 369 CA PHE A 25 0.007 6.989 9.485 1.00 65.11 C ATOM 370 C PHE A 25 -0.236 5.986 8.346 1.00 14.12 C ATOM 371 O PHE A 25 -1.366 5.803 7.895 1.00 42.43 O ATOM 372 CB PHE A 25 0.618 8.280 8.919 1.00 52.14 C ATOM 373 CG PHE A 25 0.754 9.387 9.934 1.00 52.42 C ATOM 374 CD1 PHE A 25 1.904 9.511 10.698 1.00 33.32 C ATOM 375 CD2 PHE A 25 -0.269 10.306 10.118 1.00 52.32 C ATOM 376 CE1 PHE A 25 2.031 10.525 11.625 1.00 42.44 C ATOM 377 CE2 PHE A 25 -0.146 11.324 11.045 1.00 24.01 C ATOM 378 CZ PHE A 25 1.005 11.433 11.798 1.00 15.33 C ATOM 0 H PHE A 25 1.769 6.906 10.637 1.00 15.53 H new ATOM 0 HA PHE A 25 -0.954 7.216 9.948 1.00 65.11 H new ATOM 0 HB2 PHE A 25 1.602 8.055 8.507 1.00 52.14 H new ATOM 0 HB3 PHE A 25 -0.000 8.631 8.093 1.00 52.14 H new ATOM 0 HD1 PHE A 25 2.711 8.805 10.566 1.00 33.32 H new ATOM 0 HD2 PHE A 25 -1.172 10.225 9.530 1.00 52.32 H new ATOM 0 HE1 PHE A 25 2.932 10.609 12.215 1.00 42.44 H new ATOM 0 HE2 PHE A 25 -0.950 12.033 11.180 1.00 24.01 H new ATOM 0 HZ PHE A 25 1.104 12.228 12.522 1.00 15.33 H new ATOM 388 N VAL A 26 0.834 5.336 7.888 1.00 61.25 N ATOM 389 CA VAL A 26 0.745 4.384 6.774 1.00 61.14 C ATOM 390 C VAL A 26 -0.109 3.157 7.139 1.00 54.22 C ATOM 391 O VAL A 26 -1.038 2.801 6.414 1.00 34.53 O ATOM 392 CB VAL A 26 2.148 3.909 6.315 1.00 41.15 C ATOM 393 CG1 VAL A 26 2.031 2.963 5.122 1.00 42.02 C ATOM 394 CG2 VAL A 26 3.043 5.100 5.970 1.00 21.05 C ATOM 0 H VAL A 26 1.773 5.449 8.269 1.00 61.25 H new ATOM 0 HA VAL A 26 0.264 4.917 5.954 1.00 61.14 H new ATOM 0 HB VAL A 26 2.608 3.368 7.141 1.00 41.15 H new ATOM 0 HG11 VAL A 26 3.026 2.641 4.814 1.00 42.02 H new ATOM 0 HG12 VAL A 26 1.439 2.093 5.404 1.00 42.02 H new ATOM 0 HG13 VAL A 26 1.545 3.480 4.294 1.00 42.02 H new ATOM 0 HG21 VAL A 26 4.021 4.740 5.651 1.00 21.05 H new ATOM 0 HG22 VAL A 26 2.588 5.676 5.164 1.00 21.05 H new ATOM 0 HG23 VAL A 26 3.159 5.735 6.849 1.00 21.05 H new ATOM 404 N LEU A 27 0.211 2.515 8.262 1.00 31.02 N ATOM 405 CA LEU A 27 -0.542 1.340 8.718 1.00 43.13 C ATOM 406 C LEU A 27 -2.005 1.691 9.025 1.00 70.13 C ATOM 407 O LEU A 27 -2.910 0.917 8.711 1.00 12.21 O ATOM 408 CB LEU A 27 0.127 0.707 9.947 1.00 44.45 C ATOM 409 CG LEU A 27 1.527 0.112 9.703 1.00 41.34 C ATOM 410 CD1 LEU A 27 2.114 -0.456 10.993 1.00 54.45 C ATOM 411 CD2 LEU A 27 1.476 -0.963 8.620 1.00 32.03 C ATOM 0 H LEU A 27 0.982 2.785 8.873 1.00 31.02 H new ATOM 0 HA LEU A 27 -0.537 0.613 7.906 1.00 43.13 H new ATOM 0 HB2 LEU A 27 0.203 1.463 10.728 1.00 44.45 H new ATOM 0 HB3 LEU A 27 -0.523 -0.081 10.328 1.00 44.45 H new ATOM 0 HG LEU A 27 2.177 0.917 9.360 1.00 41.34 H new ATOM 0 HD11 LEU A 27 3.102 -0.869 10.792 1.00 54.45 H new ATOM 0 HD12 LEU A 27 2.197 0.338 11.735 1.00 54.45 H new ATOM 0 HD13 LEU A 27 1.462 -1.242 11.374 1.00 54.45 H new ATOM 0 HD21 LEU A 27 2.475 -1.370 8.464 1.00 32.03 H new ATOM 0 HD22 LEU A 27 0.804 -1.762 8.932 1.00 32.03 H new ATOM 0 HD23 LEU A 27 1.113 -0.526 7.690 1.00 32.03 H new ATOM 423 N ALA A 28 -2.236 2.860 9.628 1.00 33.33 N ATOM 424 CA ALA A 28 -3.600 3.342 9.871 1.00 55.10 C ATOM 425 C ALA A 28 -4.373 3.497 8.550 1.00 5.15 C ATOM 426 O ALA A 28 -5.533 3.090 8.441 1.00 64.24 O ATOM 427 CB ALA A 28 -3.574 4.667 10.627 1.00 33.03 C ATOM 0 H ALA A 28 -1.502 3.488 9.956 1.00 33.33 H new ATOM 0 HA ALA A 28 -4.114 2.601 10.483 1.00 55.10 H new ATOM 0 HB1 ALA A 28 -4.595 5.009 10.798 1.00 33.03 H new ATOM 0 HB2 ALA A 28 -3.072 4.530 11.585 1.00 33.03 H new ATOM 0 HB3 ALA A 28 -3.036 5.411 10.039 1.00 33.03 H new ATOM 433 N ALA A 29 -3.724 4.089 7.548 1.00 25.42 N ATOM 434 CA ALA A 29 -4.307 4.208 6.207 1.00 63.40 C ATOM 435 C ALA A 29 -4.578 2.824 5.602 1.00 3.52 C ATOM 436 O ALA A 29 -5.615 2.588 4.984 1.00 1.54 O ATOM 437 CB ALA A 29 -3.382 5.006 5.293 1.00 74.44 C ATOM 0 H ALA A 29 -2.793 4.495 7.637 1.00 25.42 H new ATOM 0 HA ALA A 29 -5.256 4.736 6.298 1.00 63.40 H new ATOM 0 HB1 ALA A 29 -3.829 5.085 4.302 1.00 74.44 H new ATOM 0 HB2 ALA A 29 -3.235 6.004 5.706 1.00 74.44 H new ATOM 0 HB3 ALA A 29 -2.420 4.500 5.217 1.00 74.44 H new ATOM 443 N LEU A 30 -3.632 1.916 5.811 1.00 24.50 N ATOM 444 CA LEU A 30 -3.717 0.547 5.304 1.00 2.02 C ATOM 445 C LEU A 30 -4.943 -0.196 5.865 1.00 53.13 C ATOM 446 O LEU A 30 -5.790 -0.672 5.109 1.00 13.44 O ATOM 447 CB LEU A 30 -2.423 -0.198 5.661 1.00 23.15 C ATOM 448 CG LEU A 30 -2.264 -1.602 5.059 1.00 52.20 C ATOM 449 CD1 LEU A 30 -2.340 -1.552 3.536 1.00 4.13 C ATOM 450 CD2 LEU A 30 -0.945 -2.223 5.510 1.00 62.42 C ATOM 0 H LEU A 30 -2.780 2.107 6.339 1.00 24.50 H new ATOM 0 HA LEU A 30 -3.837 0.583 4.221 1.00 2.02 H new ATOM 0 HB2 LEU A 30 -1.577 0.410 5.341 1.00 23.15 H new ATOM 0 HB3 LEU A 30 -2.363 -0.281 6.746 1.00 23.15 H new ATOM 0 HG LEU A 30 -3.084 -2.225 5.417 1.00 52.20 H new ATOM 0 HD11 LEU A 30 -2.225 -2.558 3.133 1.00 4.13 H new ATOM 0 HD12 LEU A 30 -3.306 -1.148 3.233 1.00 4.13 H new ATOM 0 HD13 LEU A 30 -1.544 -0.914 3.153 1.00 4.13 H new ATOM 0 HD21 LEU A 30 -0.844 -3.218 5.077 1.00 62.42 H new ATOM 0 HD22 LEU A 30 -0.116 -1.597 5.179 1.00 62.42 H new ATOM 0 HD23 LEU A 30 -0.931 -2.298 6.597 1.00 62.42 H new ATOM 462 N GLU A 31 -5.048 -0.270 7.193 1.00 44.14 N ATOM 463 CA GLU A 31 -6.163 -0.976 7.847 1.00 63.54 C ATOM 464 C GLU A 31 -7.521 -0.298 7.566 1.00 50.14 C ATOM 465 O GLU A 31 -8.573 -0.938 7.642 1.00 73.35 O ATOM 466 CB GLU A 31 -5.915 -1.093 9.363 1.00 23.00 C ATOM 467 CG GLU A 31 -5.761 0.245 10.082 1.00 4.33 C ATOM 468 CD GLU A 31 -5.430 0.089 11.563 1.00 71.45 C ATOM 469 OE1 GLU A 31 -4.230 -0.009 11.910 1.00 42.54 O ATOM 470 OE2 GLU A 31 -6.368 0.064 12.390 1.00 52.32 O ATOM 0 H GLU A 31 -4.379 0.148 7.840 1.00 44.14 H new ATOM 0 HA GLU A 31 -6.209 -1.978 7.421 1.00 63.54 H new ATOM 0 HB2 GLU A 31 -6.743 -1.640 9.813 1.00 23.00 H new ATOM 0 HB3 GLU A 31 -5.015 -1.685 9.527 1.00 23.00 H new ATOM 0 HG2 GLU A 31 -4.974 0.823 9.598 1.00 4.33 H new ATOM 0 HG3 GLU A 31 -6.684 0.815 9.979 1.00 4.33 H new ATOM 477 N GLN A 32 -7.497 0.995 7.238 1.00 42.02 N ATOM 478 CA GLN A 32 -8.719 1.725 6.862 1.00 14.41 C ATOM 479 C GLN A 32 -9.007 1.612 5.353 1.00 42.02 C ATOM 480 O GLN A 32 -10.120 1.876 4.899 1.00 14.35 O ATOM 481 CB GLN A 32 -8.608 3.197 7.278 1.00 3.32 C ATOM 482 CG GLN A 32 -8.614 3.398 8.790 1.00 51.51 C ATOM 483 CD GLN A 32 -8.425 4.849 9.195 1.00 73.21 C ATOM 484 OE1 GLN A 32 -9.385 5.602 9.331 1.00 52.10 O ATOM 485 NE2 GLN A 32 -7.188 5.252 9.390 1.00 11.23 N ATOM 0 H GLN A 32 -6.649 1.561 7.224 1.00 42.02 H new ATOM 0 HA GLN A 32 -9.555 1.268 7.391 1.00 14.41 H new ATOM 0 HB2 GLN A 32 -7.690 3.616 6.866 1.00 3.32 H new ATOM 0 HB3 GLN A 32 -9.436 3.755 6.841 1.00 3.32 H new ATOM 0 HG2 GLN A 32 -9.557 3.033 9.196 1.00 51.51 H new ATOM 0 HG3 GLN A 32 -7.821 2.796 9.234 1.00 51.51 H new ATOM 0 HE21 GLN A 32 -6.414 4.599 9.268 1.00 11.23 H new ATOM 0 HE22 GLN A 32 -7.003 6.217 9.663 1.00 11.23 H new ATOM 494 N SER A 33 -7.997 1.216 4.581 1.00 24.11 N ATOM 495 CA SER A 33 -8.162 0.991 3.135 1.00 22.11 C ATOM 496 C SER A 33 -8.412 -0.491 2.829 1.00 72.22 C ATOM 497 O SER A 33 -8.471 -0.899 1.667 1.00 73.24 O ATOM 498 CB SER A 33 -6.915 1.467 2.373 1.00 41.31 C ATOM 499 OG SER A 33 -7.040 1.236 0.977 1.00 61.13 O ATOM 0 H SER A 33 -7.053 1.043 4.927 1.00 24.11 H new ATOM 0 HA SER A 33 -9.029 1.565 2.808 1.00 22.11 H new ATOM 0 HB2 SER A 33 -6.760 2.530 2.555 1.00 41.31 H new ATOM 0 HB3 SER A 33 -6.035 0.947 2.752 1.00 41.31 H new ATOM 0 HG SER A 33 -7.572 0.427 0.826 1.00 61.13 H new ATOM 505 N SER A 34 -8.555 -1.293 3.878 1.00 31.43 N ATOM 506 CA SER A 34 -8.719 -2.745 3.731 1.00 10.13 C ATOM 507 C SER A 34 -10.183 -3.161 3.552 1.00 14.11 C ATOM 508 O SER A 34 -11.082 -2.633 4.211 1.00 21.21 O ATOM 509 CB SER A 34 -8.143 -3.478 4.952 1.00 44.33 C ATOM 510 OG SER A 34 -6.744 -3.272 5.075 1.00 71.43 O ATOM 0 H SER A 34 -8.561 -0.967 4.844 1.00 31.43 H new ATOM 0 HA SER A 34 -8.175 -3.024 2.828 1.00 10.13 H new ATOM 0 HB2 SER A 34 -8.643 -3.129 5.855 1.00 44.33 H new ATOM 0 HB3 SER A 34 -8.348 -4.545 4.866 1.00 44.33 H new ATOM 0 HG SER A 34 -6.555 -2.311 5.087 1.00 71.43 H new ATOM 516 N ASP A 35 -10.406 -4.113 2.646 1.00 61.04 N ATOM 517 CA ASP A 35 -11.705 -4.769 2.499 1.00 31.52 C ATOM 518 C ASP A 35 -12.025 -5.635 3.732 1.00 20.13 C ATOM 519 O ASP A 35 -11.160 -5.878 4.577 1.00 34.22 O ATOM 520 CB ASP A 35 -11.712 -5.651 1.240 1.00 52.33 C ATOM 521 CG ASP A 35 -11.644 -4.853 -0.053 1.00 62.35 C ATOM 522 OD1 ASP A 35 -12.562 -4.044 -0.300 1.00 52.44 O ATOM 523 OD2 ASP A 35 -10.692 -5.054 -0.840 1.00 71.11 O ATOM 0 H ASP A 35 -9.695 -4.450 1.996 1.00 61.04 H new ATOM 0 HA ASP A 35 -12.466 -3.994 2.407 1.00 31.52 H new ATOM 0 HB2 ASP A 35 -10.866 -6.337 1.281 1.00 52.33 H new ATOM 0 HB3 ASP A 35 -12.616 -6.260 1.236 1.00 52.33 H new ATOM 528 N ASP A 36 -13.265 -6.111 3.809 1.00 54.12 N ATOM 529 CA ASP A 36 -13.722 -6.974 4.909 1.00 4.42 C ATOM 530 C ASP A 36 -12.789 -8.185 5.137 1.00 22.41 C ATOM 531 O ASP A 36 -12.658 -8.676 6.260 1.00 41.31 O ATOM 532 CB ASP A 36 -15.151 -7.441 4.604 1.00 64.34 C ATOM 533 CG ASP A 36 -15.715 -8.382 5.653 1.00 64.01 C ATOM 534 OD1 ASP A 36 -16.135 -7.900 6.730 1.00 62.32 O ATOM 535 OD2 ASP A 36 -15.769 -9.602 5.396 1.00 12.12 O ATOM 0 H ASP A 36 -13.985 -5.913 3.114 1.00 54.12 H new ATOM 0 HA ASP A 36 -13.702 -6.395 5.832 1.00 4.42 H new ATOM 0 HB2 ASP A 36 -15.800 -6.569 4.522 1.00 64.34 H new ATOM 0 HB3 ASP A 36 -15.163 -7.940 3.635 1.00 64.34 H new ATOM 540 N ALA A 37 -12.120 -8.642 4.076 1.00 3.31 N ATOM 541 CA ALA A 37 -11.228 -9.809 4.163 1.00 64.22 C ATOM 542 C ALA A 37 -9.881 -9.484 4.841 1.00 22.51 C ATOM 543 O ALA A 37 -9.050 -10.374 5.042 1.00 71.11 O ATOM 544 CB ALA A 37 -10.987 -10.377 2.768 1.00 40.15 C ATOM 0 H ALA A 37 -12.176 -8.225 3.147 1.00 3.31 H new ATOM 0 HA ALA A 37 -11.726 -10.549 4.789 1.00 64.22 H new ATOM 0 HB1 ALA A 37 -10.326 -11.241 2.836 1.00 40.15 H new ATOM 0 HB2 ALA A 37 -11.938 -10.681 2.330 1.00 40.15 H new ATOM 0 HB3 ALA A 37 -10.525 -9.615 2.140 1.00 40.15 H new ATOM 550 N GLY A 38 -9.667 -8.218 5.191 1.00 12.10 N ATOM 551 CA GLY A 38 -8.426 -7.819 5.856 1.00 74.25 C ATOM 552 C GLY A 38 -7.290 -7.496 4.887 1.00 61.02 C ATOM 553 O GLY A 38 -6.119 -7.503 5.267 1.00 1.14 O ATOM 0 H GLY A 38 -10.327 -7.458 5.028 1.00 12.10 H new ATOM 0 HA2 GLY A 38 -8.621 -6.945 6.478 1.00 74.25 H new ATOM 0 HA3 GLY A 38 -8.107 -8.620 6.523 1.00 74.25 H new ATOM 557 N TRP A 39 -7.639 -7.212 3.633 1.00 25.54 N ATOM 558 CA TRP A 39 -6.658 -6.853 2.600 1.00 10.24 C ATOM 559 C TRP A 39 -7.002 -5.507 1.956 1.00 20.20 C ATOM 560 O TRP A 39 -8.157 -5.243 1.641 1.00 73.52 O ATOM 561 CB TRP A 39 -6.597 -7.936 1.515 1.00 35.34 C ATOM 562 CG TRP A 39 -5.968 -9.215 1.978 1.00 10.14 C ATOM 563 CD1 TRP A 39 -6.598 -10.294 2.527 1.00 31.53 C ATOM 564 CD2 TRP A 39 -4.574 -9.539 1.931 1.00 11.33 C ATOM 565 NE1 TRP A 39 -5.680 -11.272 2.822 1.00 15.43 N ATOM 566 CE2 TRP A 39 -4.431 -10.831 2.464 1.00 14.44 C ATOM 567 CE3 TRP A 39 -3.434 -8.860 1.489 1.00 14.12 C ATOM 568 CZ2 TRP A 39 -3.193 -11.459 2.564 1.00 73.05 C ATOM 569 CZ3 TRP A 39 -2.206 -9.485 1.588 1.00 41.44 C ATOM 570 CH2 TRP A 39 -2.094 -10.773 2.123 1.00 31.21 C ATOM 0 H TRP A 39 -8.604 -7.223 3.302 1.00 25.54 H new ATOM 0 HA TRP A 39 -5.685 -6.772 3.085 1.00 10.24 H new ATOM 0 HB2 TRP A 39 -7.608 -8.144 1.164 1.00 35.34 H new ATOM 0 HB3 TRP A 39 -6.036 -7.553 0.662 1.00 35.34 H new ATOM 0 HD1 TRP A 39 -7.661 -10.368 2.703 1.00 31.53 H new ATOM 0 HE1 TRP A 39 -5.892 -12.178 3.239 1.00 15.43 H new ATOM 0 HE3 TRP A 39 -3.512 -7.865 1.078 1.00 14.12 H new ATOM 0 HZ2 TRP A 39 -3.103 -12.453 2.975 1.00 73.05 H new ATOM 0 HZ3 TRP A 39 -1.319 -8.972 1.247 1.00 41.44 H new ATOM 0 HH2 TRP A 39 -1.120 -11.235 2.189 1.00 31.21 H new ATOM 581 N ALA A 40 -5.993 -4.671 1.741 1.00 40.33 N ATOM 582 CA ALA A 40 -6.202 -3.336 1.169 1.00 4.24 C ATOM 583 C ALA A 40 -5.718 -3.259 -0.282 1.00 11.54 C ATOM 584 O ALA A 40 -4.547 -3.503 -0.567 1.00 64.11 O ATOM 585 CB ALA A 40 -5.480 -2.293 2.013 1.00 2.45 C ATOM 0 H ALA A 40 -5.019 -4.889 1.953 1.00 40.33 H new ATOM 0 HA ALA A 40 -7.273 -3.135 1.173 1.00 4.24 H new ATOM 0 HB1 ALA A 40 -5.639 -1.304 1.583 1.00 2.45 H new ATOM 0 HB2 ALA A 40 -5.871 -2.314 3.030 1.00 2.45 H new ATOM 0 HB3 ALA A 40 -4.413 -2.514 2.030 1.00 2.45 H new ATOM 591 N ASN A 41 -6.625 -2.922 -1.196 1.00 50.52 N ATOM 592 CA ASN A 41 -6.274 -2.763 -2.609 1.00 20.13 C ATOM 593 C ASN A 41 -5.318 -1.571 -2.800 1.00 40.53 C ATOM 594 O ASN A 41 -5.602 -0.457 -2.345 1.00 35.24 O ATOM 595 CB ASN A 41 -7.547 -2.581 -3.452 1.00 40.41 C ATOM 596 CG ASN A 41 -7.284 -2.590 -4.954 1.00 42.32 C ATOM 597 OD1 ASN A 41 -6.237 -2.155 -5.424 1.00 10.23 O ATOM 598 ND2 ASN A 41 -8.232 -3.092 -5.717 1.00 63.30 N ATOM 0 H ASN A 41 -7.609 -2.753 -0.986 1.00 50.52 H new ATOM 0 HA ASN A 41 -5.761 -3.664 -2.945 1.00 20.13 H new ATOM 0 HB2 ASN A 41 -8.252 -3.376 -3.209 1.00 40.41 H new ATOM 0 HB3 ASN A 41 -8.023 -1.639 -3.179 1.00 40.41 H new ATOM 0 HD21 ASN A 41 -8.107 -3.127 -6.729 1.00 63.30 H new ATOM 0 HD22 ASN A 41 -9.091 -3.446 -5.296 1.00 63.30 H new ATOM 605 N LEU A 42 -4.192 -1.823 -3.475 1.00 3.13 N ATOM 606 CA LEU A 42 -3.167 -0.799 -3.739 1.00 64.14 C ATOM 607 C LEU A 42 -3.776 0.552 -4.174 1.00 53.31 C ATOM 608 O LEU A 42 -3.303 1.617 -3.766 1.00 71.54 O ATOM 609 CB LEU A 42 -2.210 -1.306 -4.827 1.00 44.42 C ATOM 610 CG LEU A 42 -1.080 -0.340 -5.218 1.00 14.14 C ATOM 611 CD1 LEU A 42 -0.135 -0.098 -4.043 1.00 64.11 C ATOM 612 CD2 LEU A 42 -0.322 -0.873 -6.432 1.00 20.23 C ATOM 0 H LEU A 42 -3.962 -2.741 -3.855 1.00 3.13 H new ATOM 0 HA LEU A 42 -2.630 -0.626 -2.806 1.00 64.14 H new ATOM 0 HB2 LEU A 42 -1.764 -2.241 -4.487 1.00 44.42 H new ATOM 0 HB3 LEU A 42 -2.792 -1.537 -5.719 1.00 44.42 H new ATOM 0 HG LEU A 42 -1.525 0.618 -5.486 1.00 14.14 H new ATOM 0 HD11 LEU A 42 0.655 0.589 -4.347 1.00 64.11 H new ATOM 0 HD12 LEU A 42 -0.692 0.334 -3.211 1.00 64.11 H new ATOM 0 HD13 LEU A 42 0.307 -1.044 -3.731 1.00 64.11 H new ATOM 0 HD21 LEU A 42 0.475 -0.178 -6.697 1.00 20.23 H new ATOM 0 HD22 LEU A 42 0.109 -1.846 -6.194 1.00 20.23 H new ATOM 0 HD23 LEU A 42 -1.008 -0.976 -7.273 1.00 20.23 H new ATOM 624 N GLY A 43 -4.831 0.494 -4.990 1.00 15.33 N ATOM 625 CA GLY A 43 -5.490 1.710 -5.473 1.00 14.11 C ATOM 626 C GLY A 43 -5.993 2.612 -4.349 1.00 2.23 C ATOM 627 O GLY A 43 -5.644 3.794 -4.283 1.00 24.12 O ATOM 0 H GLY A 43 -5.245 -0.375 -5.328 1.00 15.33 H new ATOM 0 HA2 GLY A 43 -4.792 2.271 -6.094 1.00 14.11 H new ATOM 0 HA3 GLY A 43 -6.330 1.431 -6.109 1.00 14.11 H new ATOM 631 N ASN A 44 -6.809 2.053 -3.456 1.00 53.30 N ATOM 632 CA ASN A 44 -7.350 2.811 -2.324 1.00 22.34 C ATOM 633 C ASN A 44 -6.248 3.175 -1.317 1.00 14.40 C ATOM 634 O ASN A 44 -6.301 4.227 -0.678 1.00 21.32 O ATOM 635 CB ASN A 44 -8.465 2.018 -1.628 1.00 60.51 C ATOM 636 CG ASN A 44 -9.664 1.777 -2.529 1.00 55.51 C ATOM 637 OD1 ASN A 44 -9.952 2.563 -3.427 1.00 22.23 O ATOM 638 ND2 ASN A 44 -10.383 0.695 -2.293 1.00 11.53 N ATOM 0 H ASN A 44 -7.111 1.079 -3.493 1.00 53.30 H new ATOM 0 HA ASN A 44 -7.769 3.738 -2.716 1.00 22.34 H new ATOM 0 HB2 ASN A 44 -8.069 1.059 -1.293 1.00 60.51 H new ATOM 0 HB3 ASN A 44 -8.788 2.558 -0.738 1.00 60.51 H new ATOM 0 HD21 ASN A 44 -11.203 0.493 -2.864 1.00 11.53 H new ATOM 0 HD22 ASN A 44 -10.118 0.061 -1.539 1.00 11.53 H new ATOM 645 N PHE A 45 -5.247 2.304 -1.188 1.00 72.23 N ATOM 646 CA PHE A 45 -4.114 2.557 -0.292 1.00 20.42 C ATOM 647 C PHE A 45 -3.344 3.818 -0.717 1.00 62.44 C ATOM 648 O PHE A 45 -3.154 4.736 0.079 1.00 5.20 O ATOM 649 CB PHE A 45 -3.176 1.344 -0.268 1.00 30.33 C ATOM 650 CG PHE A 45 -1.981 1.514 0.640 1.00 4.44 C ATOM 651 CD1 PHE A 45 -2.154 1.699 2.004 1.00 0.01 C ATOM 652 CD2 PHE A 45 -0.688 1.476 0.133 1.00 23.43 C ATOM 653 CE1 PHE A 45 -1.064 1.845 2.842 1.00 71.23 C ATOM 654 CE2 PHE A 45 0.405 1.623 0.968 1.00 25.03 C ATOM 655 CZ PHE A 45 0.215 1.806 2.323 1.00 71.42 C ATOM 0 H PHE A 45 -5.196 1.418 -1.691 1.00 72.23 H new ATOM 0 HA PHE A 45 -4.505 2.722 0.712 1.00 20.42 H new ATOM 0 HB2 PHE A 45 -3.740 0.467 0.050 1.00 30.33 H new ATOM 0 HB3 PHE A 45 -2.825 1.148 -1.281 1.00 30.33 H new ATOM 0 HD1 PHE A 45 -3.152 1.729 2.416 1.00 0.01 H new ATOM 0 HD2 PHE A 45 -0.534 1.330 -0.926 1.00 23.43 H new ATOM 0 HE1 PHE A 45 -1.213 1.989 3.902 1.00 71.23 H new ATOM 0 HE2 PHE A 45 1.405 1.595 0.561 1.00 25.03 H new ATOM 0 HZ PHE A 45 1.067 1.919 2.977 1.00 71.42 H new ATOM 665 N GLY A 46 -2.923 3.861 -1.980 1.00 23.02 N ATOM 666 CA GLY A 46 -2.229 5.033 -2.505 1.00 30.31 C ATOM 667 C GLY A 46 -3.054 6.314 -2.392 1.00 32.43 C ATOM 668 O GLY A 46 -2.506 7.418 -2.334 1.00 24.54 O ATOM 0 H GLY A 46 -3.049 3.105 -2.653 1.00 23.02 H new ATOM 0 HA2 GLY A 46 -1.290 5.163 -1.968 1.00 30.31 H new ATOM 0 HA3 GLY A 46 -1.976 4.861 -3.551 1.00 30.31 H new ATOM 672 N ASN A 47 -4.375 6.158 -2.363 1.00 32.20 N ATOM 673 CA ASN A 47 -5.297 7.286 -2.198 1.00 73.13 C ATOM 674 C ASN A 47 -5.295 7.792 -0.742 1.00 41.32 C ATOM 675 O ASN A 47 -4.844 8.906 -0.458 1.00 34.13 O ATOM 676 CB ASN A 47 -6.715 6.848 -2.610 1.00 72.44 C ATOM 677 CG ASN A 47 -7.735 7.980 -2.595 1.00 65.53 C ATOM 678 OD1 ASN A 47 -7.631 8.934 -1.831 1.00 64.15 O ATOM 679 ND2 ASN A 47 -8.745 7.877 -3.434 1.00 3.55 N ATOM 0 H ASN A 47 -4.838 5.253 -2.452 1.00 32.20 H new ATOM 0 HA ASN A 47 -4.969 8.106 -2.836 1.00 73.13 H new ATOM 0 HB2 ASN A 47 -6.676 6.419 -3.611 1.00 72.44 H new ATOM 0 HB3 ASN A 47 -7.052 6.059 -1.938 1.00 72.44 H new ATOM 0 HD21 ASN A 47 -9.463 8.601 -3.459 1.00 3.55 H new ATOM 0 HD22 ASN A 47 -8.809 7.074 -4.059 1.00 3.55 H new ATOM 686 N TYR A 48 -5.773 6.950 0.176 1.00 3.54 N ATOM 687 CA TYR A 48 -5.962 7.352 1.578 1.00 12.22 C ATOM 688 C TYR A 48 -4.620 7.631 2.284 1.00 13.41 C ATOM 689 O TYR A 48 -4.546 8.475 3.180 1.00 2.25 O ATOM 690 CB TYR A 48 -6.755 6.273 2.333 1.00 41.31 C ATOM 691 CG TYR A 48 -7.342 6.747 3.654 1.00 3.22 C ATOM 692 CD1 TYR A 48 -8.420 7.628 3.678 1.00 55.01 C ATOM 693 CD2 TYR A 48 -6.827 6.315 4.872 1.00 22.34 C ATOM 694 CE1 TYR A 48 -8.961 8.064 4.871 1.00 31.42 C ATOM 695 CE2 TYR A 48 -7.364 6.746 6.069 1.00 62.10 C ATOM 696 CZ TYR A 48 -8.430 7.619 6.064 1.00 44.13 C ATOM 697 OH TYR A 48 -8.972 8.046 7.253 1.00 63.42 O ATOM 0 H TYR A 48 -6.037 5.985 -0.022 1.00 3.54 H new ATOM 0 HA TYR A 48 -6.528 8.283 1.583 1.00 12.22 H new ATOM 0 HB2 TYR A 48 -7.564 5.918 1.695 1.00 41.31 H new ATOM 0 HB3 TYR A 48 -6.101 5.422 2.522 1.00 41.31 H new ATOM 0 HD1 TYR A 48 -8.841 7.977 2.746 1.00 55.01 H new ATOM 0 HD2 TYR A 48 -5.992 5.630 4.882 1.00 22.34 H new ATOM 0 HE1 TYR A 48 -9.795 8.750 4.870 1.00 31.42 H new ATOM 0 HE2 TYR A 48 -6.950 6.400 7.005 1.00 62.10 H new ATOM 0 HH TYR A 48 -9.083 7.281 7.855 1.00 63.42 H new ATOM 707 N LEU A 49 -3.565 6.928 1.874 1.00 4.23 N ATOM 708 CA LEU A 49 -2.227 7.140 2.440 1.00 45.52 C ATOM 709 C LEU A 49 -1.748 8.586 2.231 1.00 21.30 C ATOM 710 O LEU A 49 -1.358 9.264 3.182 1.00 74.25 O ATOM 711 CB LEU A 49 -1.216 6.161 1.818 1.00 72.14 C ATOM 712 CG LEU A 49 0.253 6.381 2.224 1.00 52.14 C ATOM 713 CD1 LEU A 49 0.419 6.307 3.740 1.00 74.12 C ATOM 714 CD2 LEU A 49 1.164 5.372 1.530 1.00 1.12 C ATOM 0 H LEU A 49 -3.607 6.207 1.153 1.00 4.23 H new ATOM 0 HA LEU A 49 -2.293 6.955 3.512 1.00 45.52 H new ATOM 0 HB2 LEU A 49 -1.503 5.146 2.093 1.00 72.14 H new ATOM 0 HB3 LEU A 49 -1.289 6.230 0.733 1.00 72.14 H new ATOM 0 HG LEU A 49 0.544 7.381 1.902 1.00 52.14 H new ATOM 0 HD11 LEU A 49 1.466 6.466 4.000 1.00 74.12 H new ATOM 0 HD12 LEU A 49 -0.192 7.077 4.211 1.00 74.12 H new ATOM 0 HD13 LEU A 49 0.102 5.326 4.093 1.00 74.12 H new ATOM 0 HD21 LEU A 49 2.197 5.546 1.832 1.00 1.12 H new ATOM 0 HD22 LEU A 49 0.869 4.361 1.812 1.00 1.12 H new ATOM 0 HD23 LEU A 49 1.077 5.487 0.450 1.00 1.12 H new ATOM 726 N ASN A 50 -1.794 9.056 0.983 1.00 73.44 N ATOM 727 CA ASN A 50 -1.315 10.402 0.647 1.00 4.53 C ATOM 728 C ASN A 50 -2.154 11.480 1.357 1.00 73.32 C ATOM 729 O ASN A 50 -1.685 12.593 1.595 1.00 43.32 O ATOM 730 CB ASN A 50 -1.340 10.611 -0.873 1.00 45.11 C ATOM 731 CG ASN A 50 -0.625 11.882 -1.301 1.00 71.31 C ATOM 732 OD1 ASN A 50 -1.223 12.951 -1.405 1.00 24.30 O ATOM 733 ND2 ASN A 50 0.665 11.778 -1.549 1.00 24.33 N ATOM 0 H ASN A 50 -2.157 8.528 0.189 1.00 73.44 H new ATOM 0 HA ASN A 50 -0.286 10.495 0.995 1.00 4.53 H new ATOM 0 HB2 ASN A 50 -0.874 9.755 -1.361 1.00 45.11 H new ATOM 0 HB3 ASN A 50 -2.375 10.648 -1.214 1.00 45.11 H new ATOM 0 HD21 ASN A 50 1.197 12.599 -1.837 1.00 24.33 H new ATOM 0 HD22 ASN A 50 1.132 10.876 -1.453 1.00 24.33 H new ATOM 740 N LYS A 51 -3.400 11.140 1.693 1.00 65.53 N ATOM 741 CA LYS A 51 -4.265 12.033 2.474 1.00 42.14 C ATOM 742 C LYS A 51 -3.697 12.265 3.882 1.00 14.52 C ATOM 743 O LYS A 51 -3.724 13.383 4.400 1.00 34.31 O ATOM 744 CB LYS A 51 -5.680 11.448 2.582 1.00 5.13 C ATOM 745 CG LYS A 51 -6.409 11.333 1.246 1.00 40.43 C ATOM 746 CD LYS A 51 -7.802 10.734 1.416 1.00 23.03 C ATOM 747 CE LYS A 51 -8.673 11.560 2.355 1.00 53.42 C ATOM 748 NZ LYS A 51 -8.846 12.957 1.876 1.00 22.51 N ATOM 0 H LYS A 51 -3.835 10.253 1.438 1.00 65.53 H new ATOM 0 HA LYS A 51 -4.307 12.990 1.954 1.00 42.14 H new ATOM 0 HB2 LYS A 51 -5.619 10.459 3.037 1.00 5.13 H new ATOM 0 HB3 LYS A 51 -6.270 12.072 3.253 1.00 5.13 H new ATOM 0 HG2 LYS A 51 -6.490 12.319 0.789 1.00 40.43 H new ATOM 0 HG3 LYS A 51 -5.826 10.713 0.565 1.00 40.43 H new ATOM 0 HD2 LYS A 51 -8.286 10.663 0.442 1.00 23.03 H new ATOM 0 HD3 LYS A 51 -7.714 9.719 1.803 1.00 23.03 H new ATOM 0 HE2 LYS A 51 -9.650 11.087 2.452 1.00 53.42 H new ATOM 0 HE3 LYS A 51 -8.225 11.571 3.348 1.00 53.42 H new ATOM 0 HZ1 LYS A 51 -9.550 13.442 2.468 1.00 22.51 H new ATOM 0 HZ2 LYS A 51 -7.938 13.460 1.937 1.00 22.51 H new ATOM 0 HZ3 LYS A 51 -9.171 12.948 0.888 1.00 22.51 H new ATOM 762 N LEU A 52 -3.184 11.200 4.495 1.00 71.42 N ATOM 763 CA LEU A 52 -2.611 11.283 5.843 1.00 43.03 C ATOM 764 C LEU A 52 -1.175 11.829 5.808 1.00 42.42 C ATOM 765 O LEU A 52 -0.786 12.631 6.657 1.00 53.14 O ATOM 766 CB LEU A 52 -2.635 9.905 6.522 1.00 74.24 C ATOM 767 CG LEU A 52 -4.014 9.221 6.581 1.00 64.43 C ATOM 768 CD1 LEU A 52 -3.952 7.955 7.433 1.00 35.23 C ATOM 769 CD2 LEU A 52 -5.082 10.180 7.108 1.00 41.21 C ATOM 0 H LEU A 52 -3.152 10.268 4.082 1.00 71.42 H new ATOM 0 HA LEU A 52 -3.223 11.975 6.421 1.00 43.03 H new ATOM 0 HB2 LEU A 52 -1.944 9.247 5.995 1.00 74.24 H new ATOM 0 HB3 LEU A 52 -2.258 10.013 7.539 1.00 74.24 H new ATOM 0 HG LEU A 52 -4.293 8.937 5.566 1.00 64.43 H new ATOM 0 HD11 LEU A 52 -4.936 7.487 7.462 1.00 35.23 H new ATOM 0 HD12 LEU A 52 -3.232 7.260 7.000 1.00 35.23 H new ATOM 0 HD13 LEU A 52 -3.643 8.213 8.446 1.00 35.23 H new ATOM 0 HD21 LEU A 52 -6.045 9.671 7.139 1.00 41.21 H new ATOM 0 HD22 LEU A 52 -4.813 10.508 8.112 1.00 41.21 H new ATOM 0 HD23 LEU A 52 -5.151 11.046 6.449 1.00 41.21 H new ATOM 781 N GLN A 53 -0.390 11.386 4.826 1.00 34.24 N ATOM 782 CA GLN A 53 0.995 11.856 4.653 1.00 64.43 C ATOM 783 C GLN A 53 1.243 12.395 3.230 1.00 61.24 C ATOM 784 O GLN A 53 1.749 11.679 2.362 1.00 34.53 O ATOM 785 CB GLN A 53 1.996 10.727 4.961 1.00 14.34 C ATOM 786 CG GLN A 53 2.060 10.322 6.430 1.00 41.44 C ATOM 787 CD GLN A 53 2.584 11.430 7.330 1.00 21.45 C ATOM 788 OE1 GLN A 53 3.784 11.555 7.554 1.00 24.34 O ATOM 789 NE2 GLN A 53 1.690 12.239 7.860 1.00 40.13 N ATOM 0 H GLN A 53 -0.686 10.699 4.133 1.00 34.24 H new ATOM 0 HA GLN A 53 1.146 12.674 5.358 1.00 64.43 H new ATOM 0 HB2 GLN A 53 1.732 9.852 4.367 1.00 14.34 H new ATOM 0 HB3 GLN A 53 2.989 11.042 4.640 1.00 14.34 H new ATOM 0 HG2 GLN A 53 1.064 10.030 6.764 1.00 41.44 H new ATOM 0 HG3 GLN A 53 2.700 9.446 6.532 1.00 41.44 H new ATOM 0 HE21 GLN A 53 0.699 12.109 7.654 1.00 40.13 H new ATOM 0 HE22 GLN A 53 1.988 12.995 8.476 1.00 40.13 H new ATOM 798 N PRO A 54 0.881 13.666 2.965 1.00 14.51 N ATOM 799 CA PRO A 54 1.133 14.306 1.658 1.00 62.42 C ATOM 800 C PRO A 54 2.629 14.563 1.399 1.00 12.01 C ATOM 801 O PRO A 54 3.050 14.770 0.257 1.00 15.41 O ATOM 802 CB PRO A 54 0.363 15.632 1.760 1.00 51.44 C ATOM 803 CG PRO A 54 0.293 15.915 3.227 1.00 24.15 C ATOM 804 CD PRO A 54 0.176 14.573 3.896 1.00 52.31 C ATOM 0 HA PRO A 54 0.815 13.674 0.828 1.00 62.42 H new ATOM 0 HB2 PRO A 54 0.877 16.431 1.226 1.00 51.44 H new ATOM 0 HB3 PRO A 54 -0.633 15.547 1.325 1.00 51.44 H new ATOM 0 HG2 PRO A 54 1.183 16.445 3.566 1.00 24.15 H new ATOM 0 HG3 PRO A 54 -0.564 16.546 3.463 1.00 24.15 H new ATOM 0 HD2 PRO A 54 0.638 14.574 4.883 1.00 52.31 H new ATOM 0 HD3 PRO A 54 -0.865 14.280 4.031 1.00 52.31 H new ATOM 812 N ASP A 55 3.428 14.544 2.464 1.00 0.44 N ATOM 813 CA ASP A 55 4.872 14.781 2.365 1.00 45.12 C ATOM 814 C ASP A 55 5.639 13.470 2.084 1.00 20.35 C ATOM 815 O ASP A 55 6.848 13.480 1.842 1.00 11.50 O ATOM 816 CB ASP A 55 5.363 15.434 3.665 1.00 0.32 C ATOM 817 CG ASP A 55 6.801 15.899 3.585 1.00 4.20 C ATOM 818 OD1 ASP A 55 7.092 16.810 2.778 1.00 34.55 O ATOM 819 OD2 ASP A 55 7.649 15.366 4.328 1.00 1.12 O ATOM 0 H ASP A 55 3.099 14.366 3.413 1.00 0.44 H new ATOM 0 HA ASP A 55 5.065 15.451 1.527 1.00 45.12 H new ATOM 0 HB2 ASP A 55 4.724 16.285 3.902 1.00 0.32 H new ATOM 0 HB3 ASP A 55 5.262 14.722 4.484 1.00 0.32 H new ATOM 824 N PHE A 56 4.921 12.349 2.102 1.00 54.24 N ATOM 825 CA PHE A 56 5.524 11.032 1.870 1.00 10.14 C ATOM 826 C PHE A 56 5.518 10.680 0.369 1.00 44.42 C ATOM 827 O PHE A 56 4.488 10.302 -0.190 1.00 2.31 O ATOM 828 CB PHE A 56 4.761 9.970 2.677 1.00 5.35 C ATOM 829 CG PHE A 56 5.389 8.596 2.653 1.00 51.03 C ATOM 830 CD1 PHE A 56 6.490 8.312 3.451 1.00 64.34 C ATOM 831 CD2 PHE A 56 4.875 7.588 1.845 1.00 45.51 C ATOM 832 CE1 PHE A 56 7.066 7.056 3.443 1.00 30.04 C ATOM 833 CE2 PHE A 56 5.450 6.331 1.834 1.00 3.44 C ATOM 834 CZ PHE A 56 6.545 6.064 2.634 1.00 42.10 C ATOM 0 H PHE A 56 3.916 12.324 2.275 1.00 54.24 H new ATOM 0 HA PHE A 56 6.562 11.057 2.201 1.00 10.14 H new ATOM 0 HB2 PHE A 56 4.685 10.303 3.712 1.00 5.35 H new ATOM 0 HB3 PHE A 56 3.745 9.898 2.290 1.00 5.35 H new ATOM 0 HD1 PHE A 56 6.901 9.083 4.086 1.00 64.34 H new ATOM 0 HD2 PHE A 56 4.018 7.789 1.220 1.00 45.51 H new ATOM 0 HE1 PHE A 56 7.922 6.850 4.068 1.00 30.04 H new ATOM 0 HE2 PHE A 56 5.043 5.557 1.200 1.00 3.44 H new ATOM 0 HZ PHE A 56 6.993 5.081 2.627 1.00 42.10 H new ATOM 844 N ASP A 57 6.675 10.822 -0.279 1.00 55.40 N ATOM 845 CA ASP A 57 6.804 10.529 -1.712 1.00 43.20 C ATOM 846 C ASP A 57 7.758 9.347 -1.960 1.00 10.24 C ATOM 847 O ASP A 57 8.783 9.209 -1.289 1.00 3.30 O ATOM 848 CB ASP A 57 7.304 11.765 -2.468 1.00 52.04 C ATOM 849 CG ASP A 57 7.254 11.558 -3.972 1.00 51.22 C ATOM 850 OD1 ASP A 57 6.140 11.534 -4.532 1.00 53.41 O ATOM 851 OD2 ASP A 57 8.321 11.381 -4.594 1.00 14.14 O ATOM 0 H ASP A 57 7.538 11.138 0.164 1.00 55.40 H new ATOM 0 HA ASP A 57 5.816 10.255 -2.082 1.00 43.20 H new ATOM 0 HB2 ASP A 57 6.695 12.628 -2.198 1.00 52.04 H new ATOM 0 HB3 ASP A 57 8.327 11.989 -2.165 1.00 52.04 H new ATOM 856 N SER A 58 7.417 8.507 -2.937 1.00 10.15 N ATOM 857 CA SER A 58 8.209 7.309 -3.271 1.00 64.24 C ATOM 858 C SER A 58 9.673 7.637 -3.631 1.00 24.42 C ATOM 859 O SER A 58 10.584 6.869 -3.303 1.00 73.20 O ATOM 860 CB SER A 58 7.555 6.554 -4.435 1.00 73.44 C ATOM 861 OG SER A 58 8.329 5.435 -4.827 1.00 24.44 O ATOM 0 H SER A 58 6.589 8.631 -3.520 1.00 10.15 H new ATOM 0 HA SER A 58 8.226 6.686 -2.376 1.00 64.24 H new ATOM 0 HB2 SER A 58 6.558 6.224 -4.142 1.00 73.44 H new ATOM 0 HB3 SER A 58 7.431 7.227 -5.283 1.00 73.44 H new ATOM 0 HG SER A 58 9.066 5.732 -5.401 1.00 24.44 H new ATOM 867 N ARG A 59 9.905 8.774 -4.295 1.00 43.42 N ATOM 868 CA ARG A 59 11.263 9.145 -4.739 1.00 42.23 C ATOM 869 C ARG A 59 12.195 9.453 -3.555 1.00 4.33 C ATOM 870 O ARG A 59 13.417 9.383 -3.688 1.00 34.03 O ATOM 871 CB ARG A 59 11.223 10.346 -5.700 1.00 51.00 C ATOM 872 CG ARG A 59 10.537 10.061 -7.034 1.00 1.41 C ATOM 873 CD ARG A 59 11.203 8.914 -7.794 1.00 0.01 C ATOM 874 NE ARG A 59 12.625 9.150 -8.042 1.00 34.03 N ATOM 875 CZ ARG A 59 13.238 8.856 -9.156 1.00 43.42 C ATOM 876 NH1 ARG A 59 12.587 8.371 -10.165 1.00 13.12 N ATOM 877 NH2 ARG A 59 14.507 9.072 -9.260 1.00 10.44 N ATOM 0 H ARG A 59 9.182 9.451 -4.538 1.00 43.42 H new ATOM 0 HA ARG A 59 11.666 8.281 -5.267 1.00 42.23 H new ATOM 0 HB2 ARG A 59 10.708 11.172 -5.209 1.00 51.00 H new ATOM 0 HB3 ARG A 59 12.244 10.676 -5.893 1.00 51.00 H new ATOM 0 HG2 ARG A 59 9.490 9.817 -6.857 1.00 1.41 H new ATOM 0 HG3 ARG A 59 10.555 10.961 -7.649 1.00 1.41 H new ATOM 0 HD2 ARG A 59 11.086 7.991 -7.226 1.00 0.01 H new ATOM 0 HD3 ARG A 59 10.692 8.769 -8.746 1.00 0.01 H new ATOM 0 HE ARG A 59 13.175 9.573 -7.294 1.00 34.03 H new ATOM 0 HH11 ARG A 59 11.582 8.214 -10.095 1.00 13.12 H new ATOM 0 HH12 ARG A 59 13.080 8.146 -11.029 1.00 13.12 H new ATOM 0 HH21 ARG A 59 15.023 9.470 -8.475 1.00 10.44 H new ATOM 0 HH22 ARG A 59 14.994 8.845 -10.127 1.00 10.44 H new ATOM 891 N LEU A 60 11.618 9.780 -2.399 1.00 3.23 N ATOM 892 CA LEU A 60 12.412 10.099 -1.200 1.00 54.33 C ATOM 893 C LEU A 60 13.259 8.902 -0.738 1.00 5.23 C ATOM 894 O LEU A 60 14.250 9.070 -0.028 1.00 63.34 O ATOM 895 CB LEU A 60 11.494 10.549 -0.055 1.00 3.51 C ATOM 896 CG LEU A 60 10.630 11.783 -0.352 1.00 21.11 C ATOM 897 CD1 LEU A 60 9.758 12.132 0.853 1.00 44.15 C ATOM 898 CD2 LEU A 60 11.501 12.972 -0.760 1.00 12.55 C ATOM 0 H LEU A 60 10.609 9.832 -2.262 1.00 3.23 H new ATOM 0 HA LEU A 60 13.089 10.910 -1.469 1.00 54.33 H new ATOM 0 HB2 LEU A 60 10.836 9.721 0.208 1.00 3.51 H new ATOM 0 HB3 LEU A 60 12.109 10.759 0.820 1.00 3.51 H new ATOM 0 HG LEU A 60 9.973 11.546 -1.189 1.00 21.11 H new ATOM 0 HD11 LEU A 60 9.153 13.009 0.623 1.00 44.15 H new ATOM 0 HD12 LEU A 60 9.104 11.291 1.085 1.00 44.15 H new ATOM 0 HD13 LEU A 60 10.394 12.345 1.713 1.00 44.15 H new ATOM 0 HD21 LEU A 60 10.867 13.834 -0.965 1.00 12.55 H new ATOM 0 HD22 LEU A 60 12.190 13.213 0.049 1.00 12.55 H new ATOM 0 HD23 LEU A 60 12.068 12.717 -1.655 1.00 12.55 H new ATOM 910 N TYR A 61 12.860 7.696 -1.139 1.00 14.34 N ATOM 911 CA TYR A 61 13.571 6.472 -0.747 1.00 33.35 C ATOM 912 C TYR A 61 14.211 5.764 -1.953 1.00 21.13 C ATOM 913 O TYR A 61 14.630 4.611 -1.860 1.00 4.03 O ATOM 914 CB TYR A 61 12.605 5.529 -0.018 1.00 73.44 C ATOM 915 CG TYR A 61 12.066 6.115 1.276 1.00 3.05 C ATOM 916 CD1 TYR A 61 10.914 6.895 1.286 1.00 64.31 C ATOM 917 CD2 TYR A 61 12.719 5.902 2.486 1.00 1.35 C ATOM 918 CE1 TYR A 61 10.430 7.442 2.459 1.00 60.25 C ATOM 919 CE2 TYR A 61 12.239 6.444 3.664 1.00 23.24 C ATOM 920 CZ TYR A 61 11.096 7.212 3.646 1.00 75.34 C ATOM 921 OH TYR A 61 10.617 7.753 4.819 1.00 11.43 O ATOM 0 H TYR A 61 12.048 7.536 -1.736 1.00 14.34 H new ATOM 0 HA TYR A 61 14.383 6.753 -0.077 1.00 33.35 H new ATOM 0 HB2 TYR A 61 11.771 5.291 -0.678 1.00 73.44 H new ATOM 0 HB3 TYR A 61 13.116 4.591 0.200 1.00 73.44 H new ATOM 0 HD1 TYR A 61 10.388 7.076 0.360 1.00 64.31 H new ATOM 0 HD2 TYR A 61 13.617 5.302 2.505 1.00 1.35 H new ATOM 0 HE1 TYR A 61 9.535 8.046 2.447 1.00 60.25 H new ATOM 0 HE2 TYR A 61 12.758 6.266 4.594 1.00 23.24 H new ATOM 0 HH TYR A 61 9.642 7.839 4.766 1.00 11.43 H new ATOM 931 N GLY A 62 14.294 6.470 -3.080 1.00 5.02 N ATOM 932 CA GLY A 62 14.924 5.922 -4.278 1.00 24.31 C ATOM 933 C GLY A 62 14.066 4.899 -5.018 1.00 30.11 C ATOM 934 O GLY A 62 14.594 4.033 -5.719 1.00 44.24 O ATOM 0 H GLY A 62 13.934 7.418 -3.187 1.00 5.02 H new ATOM 0 HA2 GLY A 62 15.162 6.740 -4.957 1.00 24.31 H new ATOM 0 HA3 GLY A 62 15.868 5.455 -3.998 1.00 24.31 H new ATOM 938 N TYR A 63 12.745 4.999 -4.873 1.00 20.04 N ATOM 939 CA TYR A 63 11.812 4.096 -5.564 1.00 62.33 C ATOM 940 C TYR A 63 11.000 4.842 -6.632 1.00 71.41 C ATOM 941 O TYR A 63 10.632 6.002 -6.450 1.00 31.33 O ATOM 942 CB TYR A 63 10.862 3.430 -4.559 1.00 41.43 C ATOM 943 CG TYR A 63 11.537 2.415 -3.657 1.00 40.24 C ATOM 944 CD1 TYR A 63 12.207 2.809 -2.504 1.00 21.31 C ATOM 945 CD2 TYR A 63 11.502 1.058 -3.960 1.00 12.01 C ATOM 946 CE1 TYR A 63 12.818 1.881 -1.682 1.00 64.45 C ATOM 947 CE2 TYR A 63 12.110 0.126 -3.145 1.00 42.23 C ATOM 948 CZ TYR A 63 12.768 0.542 -2.006 1.00 41.33 C ATOM 949 OH TYR A 63 13.375 -0.384 -1.191 1.00 5.01 O ATOM 0 H TYR A 63 12.292 5.696 -4.283 1.00 20.04 H new ATOM 0 HA TYR A 63 12.405 3.327 -6.059 1.00 62.33 H new ATOM 0 HB2 TYR A 63 10.403 4.202 -3.941 1.00 41.43 H new ATOM 0 HB3 TYR A 63 10.057 2.938 -5.105 1.00 41.43 H new ATOM 0 HD1 TYR A 63 12.251 3.857 -2.247 1.00 21.31 H new ATOM 0 HD2 TYR A 63 10.989 0.728 -4.851 1.00 12.01 H new ATOM 0 HE1 TYR A 63 13.333 2.204 -0.789 1.00 64.45 H new ATOM 0 HE2 TYR A 63 12.071 -0.923 -3.397 1.00 42.23 H new ATOM 0 HH TYR A 63 13.245 -1.282 -1.562 1.00 5.01 H new ATOM 959 N LYS A 64 10.712 4.162 -7.741 1.00 11.43 N ATOM 960 CA LYS A 64 9.978 4.774 -8.860 1.00 40.32 C ATOM 961 C LYS A 64 8.513 5.077 -8.500 1.00 73.41 C ATOM 962 O LYS A 64 7.988 6.144 -8.833 1.00 74.11 O ATOM 963 CB LYS A 64 10.031 3.858 -10.093 1.00 70.21 C ATOM 964 CG LYS A 64 11.447 3.559 -10.585 1.00 73.11 C ATOM 965 CD LYS A 64 12.220 4.833 -10.926 1.00 12.34 C ATOM 966 CE LYS A 64 11.535 5.648 -12.018 1.00 22.45 C ATOM 967 NZ LYS A 64 11.450 4.909 -13.304 1.00 63.12 N ATOM 0 H LYS A 64 10.973 3.188 -7.893 1.00 11.43 H new ATOM 0 HA LYS A 64 10.466 5.723 -9.084 1.00 40.32 H new ATOM 0 HB2 LYS A 64 9.534 2.918 -9.856 1.00 70.21 H new ATOM 0 HB3 LYS A 64 9.467 4.322 -10.902 1.00 70.21 H new ATOM 0 HG2 LYS A 64 11.986 3.003 -9.818 1.00 73.11 H new ATOM 0 HG3 LYS A 64 11.396 2.920 -11.466 1.00 73.11 H new ATOM 0 HD2 LYS A 64 12.323 5.444 -10.029 1.00 12.34 H new ATOM 0 HD3 LYS A 64 13.227 4.569 -11.249 1.00 12.34 H new ATOM 0 HE2 LYS A 64 10.531 5.919 -11.690 1.00 22.45 H new ATOM 0 HE3 LYS A 64 12.082 6.578 -12.171 1.00 22.45 H new ATOM 0 HZ1 LYS A 64 11.086 5.542 -14.045 1.00 63.12 H new ATOM 0 HZ2 LYS A 64 12.396 4.569 -13.572 1.00 63.12 H new ATOM 0 HZ3 LYS A 64 10.808 4.098 -13.196 1.00 63.12 H new ATOM 981 N LYS A 65 7.856 4.136 -7.825 1.00 70.00 N ATOM 982 CA LYS A 65 6.449 4.301 -7.433 1.00 5.24 C ATOM 983 C LYS A 65 6.125 3.513 -6.153 1.00 2.43 C ATOM 984 O LYS A 65 6.859 2.595 -5.776 1.00 2.52 O ATOM 985 CB LYS A 65 5.521 3.864 -8.580 1.00 54.52 C ATOM 986 CG LYS A 65 5.754 2.434 -9.068 1.00 23.51 C ATOM 987 CD LYS A 65 4.829 2.072 -10.230 1.00 41.04 C ATOM 988 CE LYS A 65 5.148 0.695 -10.802 1.00 54.43 C ATOM 989 NZ LYS A 65 4.231 0.330 -11.916 1.00 33.43 N ATOM 0 H LYS A 65 8.271 3.250 -7.536 1.00 70.00 H new ATOM 0 HA LYS A 65 6.282 5.358 -7.224 1.00 5.24 H new ATOM 0 HB2 LYS A 65 4.486 3.959 -8.251 1.00 54.52 H new ATOM 0 HB3 LYS A 65 5.653 4.548 -9.419 1.00 54.52 H new ATOM 0 HG2 LYS A 65 6.792 2.322 -9.381 1.00 23.51 H new ATOM 0 HG3 LYS A 65 5.592 1.738 -8.245 1.00 23.51 H new ATOM 0 HD2 LYS A 65 3.794 2.093 -9.890 1.00 41.04 H new ATOM 0 HD3 LYS A 65 4.922 2.822 -11.015 1.00 41.04 H new ATOM 0 HE2 LYS A 65 6.177 0.680 -11.160 1.00 54.43 H new ATOM 0 HE3 LYS A 65 5.074 -0.052 -10.012 1.00 54.43 H new ATOM 0 HZ1 LYS A 65 4.481 -0.613 -12.277 1.00 33.43 H new ATOM 0 HZ2 LYS A 65 3.251 0.319 -11.569 1.00 33.43 H new ATOM 0 HZ3 LYS A 65 4.319 1.028 -12.681 1.00 33.43 H new ATOM 1003 N LEU A 66 5.015 3.870 -5.501 1.00 2.11 N ATOM 1004 CA LEU A 66 4.611 3.239 -4.235 1.00 11.32 C ATOM 1005 C LEU A 66 4.566 1.704 -4.349 1.00 51.55 C ATOM 1006 O LEU A 66 4.964 0.990 -3.427 1.00 35.53 O ATOM 1007 CB LEU A 66 3.238 3.773 -3.795 1.00 51.23 C ATOM 1008 CG LEU A 66 2.722 3.248 -2.444 1.00 53.54 C ATOM 1009 CD1 LEU A 66 3.643 3.678 -1.302 1.00 13.12 C ATOM 1010 CD2 LEU A 66 1.293 3.725 -2.195 1.00 33.05 C ATOM 0 H LEU A 66 4.376 4.595 -5.828 1.00 2.11 H new ATOM 0 HA LEU A 66 5.360 3.494 -3.485 1.00 11.32 H new ATOM 0 HB2 LEU A 66 3.290 4.861 -3.746 1.00 51.23 H new ATOM 0 HB3 LEU A 66 2.507 3.523 -4.564 1.00 51.23 H new ATOM 0 HG LEU A 66 2.720 2.159 -2.481 1.00 53.54 H new ATOM 0 HD11 LEU A 66 3.256 3.294 -0.358 1.00 13.12 H new ATOM 0 HD12 LEU A 66 4.644 3.281 -1.472 1.00 13.12 H new ATOM 0 HD13 LEU A 66 3.687 4.766 -1.260 1.00 13.12 H new ATOM 0 HD21 LEU A 66 0.944 3.344 -1.235 1.00 33.05 H new ATOM 0 HD22 LEU A 66 1.270 4.815 -2.183 1.00 33.05 H new ATOM 0 HD23 LEU A 66 0.643 3.357 -2.989 1.00 33.05 H new ATOM 1022 N SER A 67 4.089 1.212 -5.492 1.00 15.53 N ATOM 1023 CA SER A 67 4.026 -0.232 -5.769 1.00 32.22 C ATOM 1024 C SER A 67 5.392 -0.907 -5.562 1.00 13.43 C ATOM 1025 O SER A 67 5.485 -1.988 -4.978 1.00 53.04 O ATOM 1026 CB SER A 67 3.554 -0.469 -7.213 1.00 21.05 C ATOM 1027 OG SER A 67 2.388 0.290 -7.507 1.00 31.22 O ATOM 0 H SER A 67 3.736 1.795 -6.251 1.00 15.53 H new ATOM 0 HA SER A 67 3.317 -0.673 -5.069 1.00 32.22 H new ATOM 0 HB2 SER A 67 4.350 -0.200 -7.907 1.00 21.05 H new ATOM 0 HB3 SER A 67 3.347 -1.529 -7.361 1.00 21.05 H new ATOM 0 HG SER A 67 2.112 0.121 -8.432 1.00 31.22 H new ATOM 1033 N ASP A 68 6.448 -0.249 -6.037 1.00 0.33 N ATOM 1034 CA ASP A 68 7.813 -0.782 -5.949 1.00 62.15 C ATOM 1035 C ASP A 68 8.354 -0.686 -4.509 1.00 2.11 C ATOM 1036 O ASP A 68 9.136 -1.528 -4.064 1.00 72.44 O ATOM 1037 CB ASP A 68 8.715 -0.009 -6.922 1.00 52.22 C ATOM 1038 CG ASP A 68 10.089 -0.636 -7.103 1.00 62.31 C ATOM 1039 OD1 ASP A 68 10.160 -1.842 -7.424 1.00 61.22 O ATOM 1040 OD2 ASP A 68 11.104 0.078 -6.971 1.00 11.20 O ATOM 0 H ASP A 68 6.386 0.662 -6.491 1.00 0.33 H new ATOM 0 HA ASP A 68 7.803 -1.837 -6.222 1.00 62.15 H new ATOM 0 HB2 ASP A 68 8.222 0.052 -7.892 1.00 52.22 H new ATOM 0 HB3 ASP A 68 8.835 1.012 -6.560 1.00 52.22 H new ATOM 1045 N LEU A 69 7.917 0.346 -3.789 1.00 34.41 N ATOM 1046 CA LEU A 69 8.330 0.566 -2.397 1.00 13.42 C ATOM 1047 C LEU A 69 7.745 -0.490 -1.444 1.00 30.14 C ATOM 1048 O LEU A 69 8.480 -1.169 -0.722 1.00 21.20 O ATOM 1049 CB LEU A 69 7.894 1.968 -1.942 1.00 62.43 C ATOM 1050 CG LEU A 69 8.136 2.292 -0.455 1.00 41.42 C ATOM 1051 CD1 LEU A 69 9.626 2.280 -0.126 1.00 71.13 C ATOM 1052 CD2 LEU A 69 7.510 3.636 -0.084 1.00 12.41 C ATOM 0 H LEU A 69 7.272 1.050 -4.147 1.00 34.41 H new ATOM 0 HA LEU A 69 9.416 0.479 -2.360 1.00 13.42 H new ATOM 0 HB2 LEU A 69 8.421 2.706 -2.546 1.00 62.43 H new ATOM 0 HB3 LEU A 69 6.831 2.084 -2.152 1.00 62.43 H new ATOM 0 HG LEU A 69 7.655 1.516 0.140 1.00 41.42 H new ATOM 0 HD11 LEU A 69 9.767 2.512 0.930 1.00 71.13 H new ATOM 0 HD12 LEU A 69 10.038 1.294 -0.339 1.00 71.13 H new ATOM 0 HD13 LEU A 69 10.139 3.026 -0.733 1.00 71.13 H new ATOM 0 HD21 LEU A 69 7.693 3.844 0.970 1.00 12.41 H new ATOM 0 HD22 LEU A 69 7.954 4.424 -0.692 1.00 12.41 H new ATOM 0 HD23 LEU A 69 6.436 3.599 -0.265 1.00 12.41 H new ATOM 1064 N VAL A 70 6.419 -0.617 -1.446 1.00 14.32 N ATOM 1065 CA VAL A 70 5.717 -1.501 -0.505 1.00 4.43 C ATOM 1066 C VAL A 70 6.222 -2.956 -0.570 1.00 52.30 C ATOM 1067 O VAL A 70 6.570 -3.546 0.452 1.00 31.14 O ATOM 1068 CB VAL A 70 4.189 -1.483 -0.752 1.00 31.13 C ATOM 1069 CG1 VAL A 70 3.468 -2.405 0.229 1.00 74.01 C ATOM 1070 CG2 VAL A 70 3.638 -0.061 -0.658 1.00 22.43 C ATOM 0 H VAL A 70 5.804 -0.119 -2.089 1.00 14.32 H new ATOM 0 HA VAL A 70 5.932 -1.110 0.490 1.00 4.43 H new ATOM 0 HB VAL A 70 4.008 -1.852 -1.762 1.00 31.13 H new ATOM 0 HG11 VAL A 70 2.396 -2.375 0.035 1.00 74.01 H new ATOM 0 HG12 VAL A 70 3.831 -3.425 0.104 1.00 74.01 H new ATOM 0 HG13 VAL A 70 3.662 -2.074 1.249 1.00 74.01 H new ATOM 0 HG21 VAL A 70 2.563 -0.075 -0.835 1.00 22.43 H new ATOM 0 HG22 VAL A 70 3.837 0.341 0.335 1.00 22.43 H new ATOM 0 HG23 VAL A 70 4.121 0.567 -1.407 1.00 22.43 H new ATOM 1080 N LYS A 71 6.276 -3.521 -1.777 1.00 61.13 N ATOM 1081 CA LYS A 71 6.688 -4.921 -1.961 1.00 34.12 C ATOM 1082 C LYS A 71 8.128 -5.172 -1.477 1.00 73.43 C ATOM 1083 O LYS A 71 8.497 -6.299 -1.142 1.00 70.33 O ATOM 1084 CB LYS A 71 6.530 -5.332 -3.432 1.00 60.51 C ATOM 1085 CG LYS A 71 7.380 -4.530 -4.411 1.00 65.15 C ATOM 1086 CD LYS A 71 7.080 -4.892 -5.870 1.00 3.03 C ATOM 1087 CE LYS A 71 7.639 -6.260 -6.278 1.00 42.11 C ATOM 1088 NZ LYS A 71 7.009 -7.396 -5.546 1.00 50.35 N ATOM 0 H LYS A 71 6.041 -3.035 -2.643 1.00 61.13 H new ATOM 0 HA LYS A 71 6.033 -5.539 -1.346 1.00 34.12 H new ATOM 0 HB2 LYS A 71 6.785 -6.387 -3.530 1.00 60.51 H new ATOM 0 HB3 LYS A 71 5.482 -5.230 -3.713 1.00 60.51 H new ATOM 0 HG2 LYS A 71 7.200 -3.466 -4.258 1.00 65.15 H new ATOM 0 HG3 LYS A 71 8.435 -4.708 -4.204 1.00 65.15 H new ATOM 0 HD2 LYS A 71 6.001 -4.886 -6.025 1.00 3.03 H new ATOM 0 HD3 LYS A 71 7.500 -4.126 -6.522 1.00 3.03 H new ATOM 0 HE2 LYS A 71 7.492 -6.400 -7.349 1.00 42.11 H new ATOM 0 HE3 LYS A 71 8.714 -6.273 -6.100 1.00 42.11 H new ATOM 0 HZ1 LYS A 71 6.966 -8.228 -6.168 1.00 50.35 H new ATOM 0 HZ2 LYS A 71 7.575 -7.623 -4.703 1.00 50.35 H new ATOM 0 HZ3 LYS A 71 6.046 -7.131 -5.255 1.00 50.35 H new ATOM 1102 N ALA A 72 8.938 -4.118 -1.433 1.00 62.51 N ATOM 1103 CA ALA A 72 10.305 -4.222 -0.919 1.00 52.55 C ATOM 1104 C ALA A 72 10.325 -4.224 0.617 1.00 35.22 C ATOM 1105 O ALA A 72 11.130 -4.922 1.243 1.00 32.13 O ATOM 1106 CB ALA A 72 11.158 -3.079 -1.458 1.00 43.31 C ATOM 0 H ALA A 72 8.675 -3.183 -1.746 1.00 62.51 H new ATOM 0 HA ALA A 72 10.723 -5.169 -1.260 1.00 52.55 H new ATOM 0 HB1 ALA A 72 12.172 -3.167 -1.069 1.00 43.31 H new ATOM 0 HB2 ALA A 72 11.182 -3.125 -2.547 1.00 43.31 H new ATOM 0 HB3 ALA A 72 10.730 -2.127 -1.144 1.00 43.31 H new ATOM 1112 N ARG A 73 9.417 -3.462 1.222 1.00 62.32 N ATOM 1113 CA ARG A 73 9.372 -3.304 2.682 1.00 43.25 C ATOM 1114 C ARG A 73 8.466 -4.358 3.347 1.00 61.13 C ATOM 1115 O ARG A 73 7.656 -4.036 4.220 1.00 65.42 O ATOM 1116 CB ARG A 73 8.894 -1.884 3.033 1.00 33.31 C ATOM 1117 CG ARG A 73 9.732 -0.779 2.395 1.00 42.11 C ATOM 1118 CD ARG A 73 11.208 -0.890 2.769 1.00 52.25 C ATOM 1119 NE ARG A 73 12.020 0.140 2.122 1.00 42.11 N ATOM 1120 CZ ARG A 73 13.329 0.142 2.096 1.00 25.35 C ATOM 1121 NH1 ARG A 73 14.005 -0.818 2.648 1.00 14.54 N ATOM 1122 NH2 ARG A 73 13.961 1.103 1.503 1.00 14.30 N ATOM 0 H ARG A 73 8.696 -2.939 0.724 1.00 62.32 H new ATOM 0 HA ARG A 73 10.379 -3.456 3.070 1.00 43.25 H new ATOM 0 HB2 ARG A 73 7.857 -1.770 2.716 1.00 33.31 H new ATOM 0 HB3 ARG A 73 8.911 -1.762 4.116 1.00 33.31 H new ATOM 0 HG2 ARG A 73 9.629 -0.826 1.311 1.00 42.11 H new ATOM 0 HG3 ARG A 73 9.351 0.192 2.710 1.00 42.11 H new ATOM 0 HD2 ARG A 73 11.314 -0.808 3.851 1.00 52.25 H new ATOM 0 HD3 ARG A 73 11.580 -1.875 2.486 1.00 52.25 H new ATOM 0 HE ARG A 73 11.534 0.908 1.660 1.00 42.11 H new ATOM 0 HH11 ARG A 73 13.517 -1.586 3.109 1.00 14.54 H new ATOM 0 HH12 ARG A 73 15.025 -0.805 2.621 1.00 14.54 H new ATOM 0 HH21 ARG A 73 13.439 1.857 1.057 1.00 14.30 H new ATOM 0 HH22 ARG A 73 14.981 1.106 1.482 1.00 14.30 H new ATOM 1136 N THR A 74 8.645 -5.622 2.955 1.00 74.02 N ATOM 1137 CA THR A 74 7.861 -6.746 3.503 1.00 14.12 C ATOM 1138 C THR A 74 7.945 -6.838 5.036 1.00 44.02 C ATOM 1139 O THR A 74 7.058 -7.396 5.681 1.00 24.51 O ATOM 1140 CB THR A 74 8.320 -8.096 2.904 1.00 14.14 C ATOM 1141 OG1 THR A 74 9.738 -8.259 3.084 1.00 11.51 O ATOM 1142 CG2 THR A 74 7.983 -8.183 1.421 1.00 75.40 C ATOM 0 H THR A 74 9.331 -5.900 2.254 1.00 74.02 H new ATOM 0 HA THR A 74 6.827 -6.545 3.224 1.00 14.12 H new ATOM 0 HB THR A 74 7.790 -8.892 3.427 1.00 14.14 H new ATOM 0 HG1 THR A 74 10.020 -9.117 2.703 1.00 11.51 H new ATOM 0 HG21 THR A 74 8.318 -9.143 1.028 1.00 75.40 H new ATOM 0 HG22 THR A 74 6.905 -8.092 1.287 1.00 75.40 H new ATOM 0 HG23 THR A 74 8.485 -7.377 0.886 1.00 75.40 H new ATOM 1150 N ASP A 75 9.024 -6.301 5.610 1.00 14.34 N ATOM 1151 CA ASP A 75 9.187 -6.235 7.071 1.00 33.41 C ATOM 1152 C ASP A 75 8.005 -5.503 7.736 1.00 73.44 C ATOM 1153 O ASP A 75 7.595 -5.838 8.852 1.00 71.41 O ATOM 1154 CB ASP A 75 10.511 -5.530 7.402 1.00 71.13 C ATOM 1155 CG ASP A 75 10.739 -5.359 8.895 1.00 40.14 C ATOM 1156 OD1 ASP A 75 10.982 -6.372 9.586 1.00 63.21 O ATOM 1157 OD2 ASP A 75 10.691 -4.210 9.386 1.00 53.30 O ATOM 0 H ASP A 75 9.803 -5.903 5.086 1.00 14.34 H new ATOM 0 HA ASP A 75 9.205 -7.251 7.466 1.00 33.41 H new ATOM 0 HB2 ASP A 75 11.336 -6.102 6.978 1.00 71.13 H new ATOM 0 HB3 ASP A 75 10.523 -4.550 6.924 1.00 71.13 H new ATOM 1162 N LEU A 76 7.461 -4.509 7.037 1.00 25.13 N ATOM 1163 CA LEU A 76 6.324 -3.727 7.533 1.00 2.15 C ATOM 1164 C LEU A 76 5.001 -4.163 6.874 1.00 25.14 C ATOM 1165 O LEU A 76 3.974 -4.303 7.546 1.00 72.32 O ATOM 1166 CB LEU A 76 6.563 -2.233 7.265 1.00 13.42 C ATOM 1167 CG LEU A 76 7.769 -1.611 7.993 1.00 70.21 C ATOM 1168 CD1 LEU A 76 8.040 -0.202 7.470 1.00 14.44 C ATOM 1169 CD2 LEU A 76 7.535 -1.591 9.505 1.00 22.34 C ATOM 0 H LEU A 76 7.792 -4.222 6.116 1.00 25.13 H new ATOM 0 HA LEU A 76 6.241 -3.905 8.605 1.00 2.15 H new ATOM 0 HB2 LEU A 76 6.696 -2.091 6.192 1.00 13.42 H new ATOM 0 HB3 LEU A 76 5.666 -1.683 7.550 1.00 13.42 H new ATOM 0 HG LEU A 76 8.646 -2.226 7.793 1.00 70.21 H new ATOM 0 HD11 LEU A 76 8.895 0.223 7.995 1.00 14.44 H new ATOM 0 HD12 LEU A 76 8.255 -0.245 6.402 1.00 14.44 H new ATOM 0 HD13 LEU A 76 7.163 0.424 7.639 1.00 14.44 H new ATOM 0 HD21 LEU A 76 8.399 -1.148 10.001 1.00 22.34 H new ATOM 0 HD22 LEU A 76 6.646 -1.001 9.728 1.00 22.34 H new ATOM 0 HD23 LEU A 76 7.393 -2.610 9.865 1.00 22.34 H new ATOM 1181 N PHE A 77 5.036 -4.384 5.556 1.00 33.43 N ATOM 1182 CA PHE A 77 3.817 -4.633 4.771 1.00 20.35 C ATOM 1183 C PHE A 77 3.815 -6.033 4.127 1.00 11.24 C ATOM 1184 O PHE A 77 4.761 -6.412 3.439 1.00 40.53 O ATOM 1185 CB PHE A 77 3.695 -3.573 3.662 1.00 75.42 C ATOM 1186 CG PHE A 77 3.879 -2.154 4.150 1.00 54.44 C ATOM 1187 CD1 PHE A 77 3.089 -1.647 5.171 1.00 54.22 C ATOM 1188 CD2 PHE A 77 4.854 -1.333 3.593 1.00 12.12 C ATOM 1189 CE1 PHE A 77 3.271 -0.356 5.630 1.00 33.31 C ATOM 1190 CE2 PHE A 77 5.035 -0.041 4.046 1.00 62.32 C ATOM 1191 CZ PHE A 77 4.245 0.446 5.066 1.00 4.45 C ATOM 0 H PHE A 77 5.896 -4.396 5.007 1.00 33.43 H new ATOM 0 HA PHE A 77 2.971 -4.576 5.455 1.00 20.35 H new ATOM 0 HB2 PHE A 77 4.437 -3.781 2.891 1.00 75.42 H new ATOM 0 HB3 PHE A 77 2.715 -3.662 3.194 1.00 75.42 H new ATOM 0 HD1 PHE A 77 2.323 -2.268 5.612 1.00 54.22 H new ATOM 0 HD2 PHE A 77 5.477 -1.711 2.796 1.00 12.12 H new ATOM 0 HE1 PHE A 77 2.652 0.026 6.429 1.00 33.31 H new ATOM 0 HE2 PHE A 77 5.794 0.587 3.602 1.00 62.32 H new ATOM 0 HZ PHE A 77 4.388 1.455 5.424 1.00 4.45 H new ATOM 1201 N VAL A 78 2.742 -6.795 4.344 1.00 71.33 N ATOM 1202 CA VAL A 78 2.558 -8.091 3.679 1.00 62.02 C ATOM 1203 C VAL A 78 1.860 -7.893 2.322 1.00 30.20 C ATOM 1204 O VAL A 78 0.765 -7.328 2.257 1.00 23.11 O ATOM 1205 CB VAL A 78 1.716 -9.061 4.548 1.00 52.20 C ATOM 1206 CG1 VAL A 78 1.563 -10.418 3.865 1.00 40.01 C ATOM 1207 CG2 VAL A 78 2.332 -9.216 5.939 1.00 1.10 C ATOM 0 H VAL A 78 1.984 -6.538 4.976 1.00 71.33 H new ATOM 0 HA VAL A 78 3.545 -8.528 3.530 1.00 62.02 H new ATOM 0 HB VAL A 78 0.721 -8.632 4.663 1.00 52.20 H new ATOM 0 HG11 VAL A 78 0.968 -11.078 4.496 1.00 40.01 H new ATOM 0 HG12 VAL A 78 1.064 -10.288 2.905 1.00 40.01 H new ATOM 0 HG13 VAL A 78 2.547 -10.858 3.706 1.00 40.01 H new ATOM 0 HG21 VAL A 78 1.725 -9.901 6.531 1.00 1.10 H new ATOM 0 HG22 VAL A 78 3.343 -9.614 5.847 1.00 1.10 H new ATOM 0 HG23 VAL A 78 2.368 -8.244 6.431 1.00 1.10 H new ATOM 1217 N THR A 79 2.496 -8.355 1.246 1.00 35.10 N ATOM 1218 CA THR A 79 1.993 -8.117 -0.117 1.00 33.03 C ATOM 1219 C THR A 79 1.595 -9.414 -0.834 1.00 51.10 C ATOM 1220 O THR A 79 2.368 -10.372 -0.876 1.00 25.44 O ATOM 1221 CB THR A 79 3.059 -7.402 -0.988 1.00 51.21 C ATOM 1222 OG1 THR A 79 4.191 -8.266 -1.204 1.00 64.20 O ATOM 1223 CG2 THR A 79 3.536 -6.111 -0.331 1.00 41.33 C ATOM 0 H THR A 79 3.360 -8.896 1.286 1.00 35.10 H new ATOM 0 HA THR A 79 1.109 -7.490 0.001 1.00 33.03 H new ATOM 0 HB THR A 79 2.593 -7.159 -1.943 1.00 51.21 H new ATOM 0 HG1 THR A 79 3.928 -9.196 -1.044 1.00 64.20 H new ATOM 0 HG21 THR A 79 4.282 -5.634 -0.966 1.00 41.33 H new ATOM 0 HG22 THR A 79 2.690 -5.437 -0.196 1.00 41.33 H new ATOM 0 HG23 THR A 79 3.977 -6.338 0.640 1.00 41.33 H new ATOM 1231 N GLU A 80 0.393 -9.429 -1.413 1.00 0.42 N ATOM 1232 CA GLU A 80 -0.042 -10.529 -2.291 1.00 53.43 C ATOM 1233 C GLU A 80 -0.914 -10.010 -3.445 1.00 32.12 C ATOM 1234 O GLU A 80 -1.926 -9.340 -3.222 1.00 31.33 O ATOM 1235 CB GLU A 80 -0.815 -11.617 -1.520 1.00 15.43 C ATOM 1236 CG GLU A 80 0.044 -12.448 -0.567 1.00 43.51 C ATOM 1237 CD GLU A 80 -0.689 -13.672 -0.033 1.00 31.43 C ATOM 1238 OE1 GLU A 80 -0.758 -14.690 -0.760 1.00 40.50 O ATOM 1239 OE2 GLU A 80 -1.200 -13.627 1.104 1.00 65.32 O ATOM 0 H GLU A 80 -0.302 -8.692 -1.292 1.00 0.42 H new ATOM 0 HA GLU A 80 0.867 -10.974 -2.697 1.00 53.43 H new ATOM 0 HB2 GLU A 80 -1.614 -11.143 -0.950 1.00 15.43 H new ATOM 0 HB3 GLU A 80 -1.290 -12.286 -2.238 1.00 15.43 H new ATOM 0 HG2 GLU A 80 0.948 -12.768 -1.085 1.00 43.51 H new ATOM 0 HG3 GLU A 80 0.359 -11.824 0.270 1.00 43.51 H new ATOM 1246 N GLU A 81 -0.520 -10.322 -4.679 1.00 51.30 N ATOM 1247 CA GLU A 81 -1.311 -9.960 -5.858 1.00 0.45 C ATOM 1248 C GLU A 81 -2.345 -11.046 -6.177 1.00 3.44 C ATOM 1249 O GLU A 81 -1.994 -12.188 -6.483 1.00 21.52 O ATOM 1250 CB GLU A 81 -0.398 -9.727 -7.068 1.00 21.40 C ATOM 1251 CG GLU A 81 0.545 -8.544 -6.897 1.00 44.21 C ATOM 1252 CD GLU A 81 1.464 -8.343 -8.087 1.00 21.54 C ATOM 1253 OE1 GLU A 81 2.554 -8.951 -8.107 1.00 12.40 O ATOM 1254 OE2 GLU A 81 1.103 -7.572 -9.003 1.00 33.53 O ATOM 0 H GLU A 81 0.342 -10.825 -4.890 1.00 51.30 H new ATOM 0 HA GLU A 81 -1.842 -9.034 -5.636 1.00 0.45 H new ATOM 0 HB2 GLU A 81 0.190 -10.627 -7.249 1.00 21.40 H new ATOM 0 HB3 GLU A 81 -1.014 -9.566 -7.953 1.00 21.40 H new ATOM 0 HG2 GLU A 81 -0.041 -7.639 -6.740 1.00 44.21 H new ATOM 0 HG3 GLU A 81 1.147 -8.693 -6.001 1.00 44.21 H new ATOM 1261 N ARG A 82 -3.621 -10.678 -6.122 1.00 44.25 N ATOM 1262 CA ARG A 82 -4.719 -11.636 -6.288 1.00 15.40 C ATOM 1263 C ARG A 82 -5.540 -11.304 -7.542 1.00 62.05 C ATOM 1264 O ARG A 82 -5.625 -10.142 -7.946 1.00 52.24 O ATOM 1265 CB ARG A 82 -5.624 -11.601 -5.044 1.00 3.14 C ATOM 1266 CG ARG A 82 -4.861 -11.697 -3.720 1.00 12.21 C ATOM 1267 CD ARG A 82 -4.158 -13.042 -3.542 1.00 23.52 C ATOM 1268 NE ARG A 82 -5.101 -14.134 -3.307 1.00 13.13 N ATOM 1269 CZ ARG A 82 -5.388 -14.620 -2.124 1.00 4.14 C ATOM 1270 NH1 ARG A 82 -4.844 -14.124 -1.055 1.00 11.24 N ATOM 1271 NH2 ARG A 82 -6.212 -15.609 -2.017 1.00 11.15 N ATOM 0 H ARG A 82 -3.926 -9.718 -5.963 1.00 44.25 H new ATOM 0 HA ARG A 82 -4.300 -12.635 -6.405 1.00 15.40 H new ATOM 0 HB2 ARG A 82 -6.202 -10.677 -5.053 1.00 3.14 H new ATOM 0 HB3 ARG A 82 -6.337 -12.424 -5.102 1.00 3.14 H new ATOM 0 HG2 ARG A 82 -4.123 -10.896 -3.672 1.00 12.21 H new ATOM 0 HG3 ARG A 82 -5.554 -11.542 -2.893 1.00 12.21 H new ATOM 0 HD2 ARG A 82 -3.566 -13.261 -4.431 1.00 23.52 H new ATOM 0 HD3 ARG A 82 -3.463 -12.978 -2.705 1.00 23.52 H new ATOM 0 HE ARG A 82 -5.566 -14.545 -4.117 1.00 13.13 H new ATOM 0 HH11 ARG A 82 -4.186 -13.348 -1.131 1.00 11.24 H new ATOM 0 HH12 ARG A 82 -5.075 -14.510 -0.139 1.00 11.24 H new ATOM 0 HH21 ARG A 82 -6.638 -16.010 -2.852 1.00 11.15 H new ATOM 0 HH22 ARG A 82 -6.437 -15.989 -1.097 1.00 11.15 H new ATOM 1285 N GLN A 83 -6.136 -12.323 -8.157 1.00 44.42 N ATOM 1286 CA GLN A 83 -6.958 -12.126 -9.356 1.00 34.32 C ATOM 1287 C GLN A 83 -8.360 -11.631 -8.974 1.00 75.23 C ATOM 1288 O GLN A 83 -9.021 -12.206 -8.107 1.00 33.32 O ATOM 1289 CB GLN A 83 -7.049 -13.433 -10.162 1.00 35.23 C ATOM 1290 CG GLN A 83 -7.814 -13.301 -11.477 1.00 4.51 C ATOM 1291 CD GLN A 83 -7.855 -14.597 -12.272 1.00 70.33 C ATOM 1292 OE1 GLN A 83 -6.942 -15.415 -12.209 1.00 50.41 O ATOM 1293 NE2 GLN A 83 -8.916 -14.794 -13.027 1.00 42.33 N ATOM 0 H GLN A 83 -6.067 -13.293 -7.848 1.00 44.42 H new ATOM 0 HA GLN A 83 -6.485 -11.367 -9.978 1.00 34.32 H new ATOM 0 HB2 GLN A 83 -6.040 -13.787 -10.375 1.00 35.23 H new ATOM 0 HB3 GLN A 83 -7.531 -14.193 -9.548 1.00 35.23 H new ATOM 0 HG2 GLN A 83 -8.833 -12.977 -11.267 1.00 4.51 H new ATOM 0 HG3 GLN A 83 -7.351 -12.523 -12.084 1.00 4.51 H new ATOM 0 HE21 GLN A 83 -9.658 -14.094 -13.057 1.00 42.33 H new ATOM 0 HE22 GLN A 83 -8.996 -15.646 -13.582 1.00 42.33 H new ATOM 1302 N VAL A 84 -8.814 -10.569 -9.631 1.00 61.43 N ATOM 1303 CA VAL A 84 -10.095 -9.944 -9.298 1.00 21.53 C ATOM 1304 C VAL A 84 -11.257 -10.594 -10.075 1.00 62.44 C ATOM 1305 O VAL A 84 -11.266 -10.590 -11.307 1.00 31.14 O ATOM 1306 CB VAL A 84 -10.062 -8.423 -9.606 1.00 71.42 C ATOM 1307 CG1 VAL A 84 -11.387 -7.763 -9.228 1.00 21.45 C ATOM 1308 CG2 VAL A 84 -8.893 -7.750 -8.887 1.00 3.13 C ATOM 0 H VAL A 84 -8.315 -10.120 -10.399 1.00 61.43 H new ATOM 0 HA VAL A 84 -10.259 -10.095 -8.231 1.00 21.53 H new ATOM 0 HB VAL A 84 -9.917 -8.297 -10.679 1.00 71.42 H new ATOM 0 HG11 VAL A 84 -11.340 -6.697 -9.453 1.00 21.45 H new ATOM 0 HG12 VAL A 84 -12.196 -8.219 -9.798 1.00 21.45 H new ATOM 0 HG13 VAL A 84 -11.571 -7.901 -8.163 1.00 21.45 H new ATOM 0 HG21 VAL A 84 -8.889 -6.685 -9.117 1.00 3.13 H new ATOM 0 HG22 VAL A 84 -8.999 -7.889 -7.811 1.00 3.13 H new ATOM 0 HG23 VAL A 84 -7.956 -8.196 -9.219 1.00 3.13 H new ATOM 1318 N PRO A 85 -12.259 -11.160 -9.360 1.00 13.53 N ATOM 1319 CA PRO A 85 -13.426 -11.812 -9.990 1.00 23.24 C ATOM 1320 C PRO A 85 -14.205 -10.862 -10.915 1.00 4.45 C ATOM 1321 O PRO A 85 -14.551 -9.743 -10.527 1.00 64.21 O ATOM 1322 CB PRO A 85 -14.294 -12.247 -8.791 1.00 44.31 C ATOM 1323 CG PRO A 85 -13.807 -11.428 -7.638 1.00 42.44 C ATOM 1324 CD PRO A 85 -12.341 -11.204 -7.887 1.00 45.52 C ATOM 0 HA PRO A 85 -13.128 -12.641 -10.632 1.00 23.24 H new ATOM 0 HB2 PRO A 85 -15.351 -12.066 -8.984 1.00 44.31 H new ATOM 0 HB3 PRO A 85 -14.184 -13.313 -8.591 1.00 44.31 H new ATOM 0 HG2 PRO A 85 -14.343 -10.481 -7.577 1.00 42.44 H new ATOM 0 HG3 PRO A 85 -13.969 -11.947 -6.693 1.00 42.44 H new ATOM 0 HD2 PRO A 85 -11.992 -10.276 -7.435 1.00 45.52 H new ATOM 0 HD3 PRO A 85 -11.733 -12.008 -7.473 1.00 45.52 H new ATOM 1332 N GLY A 86 -14.463 -11.310 -12.144 1.00 60.41 N ATOM 1333 CA GLY A 86 -15.164 -10.479 -13.120 1.00 45.15 C ATOM 1334 C GLY A 86 -14.221 -9.612 -13.949 1.00 22.45 C ATOM 1335 O GLY A 86 -14.558 -9.202 -15.062 1.00 41.52 O ATOM 0 H GLY A 86 -14.200 -12.235 -12.484 1.00 60.41 H new ATOM 0 HA2 GLY A 86 -15.741 -11.119 -13.787 1.00 45.15 H new ATOM 0 HA3 GLY A 86 -15.875 -9.838 -12.599 1.00 45.15 H new ATOM 1339 N SER A 87 -13.041 -9.324 -13.407 1.00 43.34 N ATOM 1340 CA SER A 87 -12.031 -8.514 -14.110 1.00 51.34 C ATOM 1341 C SER A 87 -10.881 -9.388 -14.637 1.00 11.55 C ATOM 1342 O SER A 87 -10.599 -10.454 -14.096 1.00 75.22 O ATOM 1343 CB SER A 87 -11.474 -7.424 -13.185 1.00 55.10 C ATOM 1344 OG SER A 87 -12.463 -6.449 -12.878 1.00 63.52 O ATOM 0 H SER A 87 -12.753 -9.637 -12.480 1.00 43.34 H new ATOM 0 HA SER A 87 -12.522 -8.043 -14.961 1.00 51.34 H new ATOM 0 HB2 SER A 87 -11.110 -7.878 -12.263 1.00 55.10 H new ATOM 0 HB3 SER A 87 -10.621 -6.941 -13.661 1.00 55.10 H new ATOM 0 HG SER A 87 -12.079 -5.769 -12.286 1.00 63.52 H new ATOM 1350 N THR A 88 -10.212 -8.928 -15.693 1.00 71.00 N ATOM 1351 CA THR A 88 -9.120 -9.701 -16.310 1.00 22.05 C ATOM 1352 C THR A 88 -7.749 -9.354 -15.707 1.00 60.42 C ATOM 1353 O THR A 88 -6.730 -9.937 -16.080 1.00 75.42 O ATOM 1354 CB THR A 88 -9.063 -9.489 -17.845 1.00 54.45 C ATOM 1355 OG1 THR A 88 -8.068 -10.343 -18.436 1.00 12.52 O ATOM 1356 CG2 THR A 88 -8.758 -8.034 -18.193 1.00 32.02 C ATOM 0 H THR A 88 -10.400 -8.031 -16.141 1.00 71.00 H new ATOM 0 HA THR A 88 -9.341 -10.747 -16.099 1.00 22.05 H new ATOM 0 HB THR A 88 -10.043 -9.744 -18.248 1.00 54.45 H new ATOM 0 HG1 THR A 88 -7.328 -10.468 -17.806 1.00 12.52 H new ATOM 0 HG21 THR A 88 -8.725 -7.918 -19.276 1.00 32.02 H new ATOM 0 HG22 THR A 88 -9.537 -7.391 -17.783 1.00 32.02 H new ATOM 0 HG23 THR A 88 -7.794 -7.753 -17.768 1.00 32.02 H new ATOM 1364 N GLN A 89 -7.724 -8.401 -14.779 1.00 40.42 N ATOM 1365 CA GLN A 89 -6.475 -7.973 -14.136 1.00 53.31 C ATOM 1366 C GLN A 89 -6.317 -8.561 -12.723 1.00 51.25 C ATOM 1367 O GLN A 89 -7.292 -8.963 -12.081 1.00 51.12 O ATOM 1368 CB GLN A 89 -6.423 -6.440 -14.058 1.00 4.11 C ATOM 1369 CG GLN A 89 -7.507 -5.829 -13.170 1.00 71.34 C ATOM 1370 CD GLN A 89 -7.432 -4.312 -13.102 1.00 74.31 C ATOM 1371 OE1 GLN A 89 -6.761 -3.746 -12.246 1.00 53.11 O ATOM 1372 NE2 GLN A 89 -8.118 -3.641 -14.004 1.00 3.44 N ATOM 0 H GLN A 89 -8.554 -7.907 -14.452 1.00 40.42 H new ATOM 0 HA GLN A 89 -5.653 -8.346 -14.747 1.00 53.31 H new ATOM 0 HB2 GLN A 89 -5.446 -6.138 -13.682 1.00 4.11 H new ATOM 0 HB3 GLN A 89 -6.518 -6.031 -15.064 1.00 4.11 H new ATOM 0 HG2 GLN A 89 -8.487 -6.123 -13.547 1.00 71.34 H new ATOM 0 HG3 GLN A 89 -7.418 -6.237 -12.163 1.00 71.34 H new ATOM 0 HE21 GLN A 89 -8.667 -4.141 -14.703 1.00 3.44 H new ATOM 0 HE22 GLN A 89 -8.100 -2.621 -14.003 1.00 3.44 H new ATOM 1381 N LYS A 90 -5.075 -8.611 -12.245 1.00 30.24 N ATOM 1382 CA LYS A 90 -4.789 -8.997 -10.859 1.00 24.34 C ATOM 1383 C LYS A 90 -4.297 -7.780 -10.054 1.00 30.22 C ATOM 1384 O LYS A 90 -3.443 -7.022 -10.518 1.00 74.11 O ATOM 1385 CB LYS A 90 -3.751 -10.131 -10.806 1.00 44.01 C ATOM 1386 CG LYS A 90 -2.408 -9.791 -11.449 1.00 42.32 C ATOM 1387 CD LYS A 90 -1.374 -10.898 -11.229 1.00 22.21 C ATOM 1388 CE LYS A 90 -1.805 -12.224 -11.850 1.00 62.15 C ATOM 1389 NZ LYS A 90 -0.837 -13.317 -11.559 1.00 51.52 N ATOM 0 H LYS A 90 -4.246 -8.389 -12.797 1.00 30.24 H new ATOM 0 HA LYS A 90 -5.713 -9.363 -10.411 1.00 24.34 H new ATOM 0 HB2 LYS A 90 -3.582 -10.403 -9.764 1.00 44.01 H new ATOM 0 HB3 LYS A 90 -4.165 -11.009 -11.302 1.00 44.01 H new ATOM 0 HG2 LYS A 90 -2.547 -9.632 -12.518 1.00 42.32 H new ATOM 0 HG3 LYS A 90 -2.033 -8.856 -11.033 1.00 42.32 H new ATOM 0 HD2 LYS A 90 -0.420 -10.592 -11.658 1.00 22.21 H new ATOM 0 HD3 LYS A 90 -1.214 -11.035 -10.160 1.00 22.21 H new ATOM 0 HE2 LYS A 90 -2.788 -12.500 -11.469 1.00 62.15 H new ATOM 0 HE3 LYS A 90 -1.903 -12.104 -12.929 1.00 62.15 H new ATOM 0 HZ1 LYS A 90 -1.167 -14.200 -11.999 1.00 51.52 H new ATOM 0 HZ2 LYS A 90 0.096 -13.066 -11.944 1.00 51.52 H new ATOM 0 HZ3 LYS A 90 -0.762 -13.450 -10.530 1.00 51.52 H new ATOM 1403 N ALA A 91 -4.818 -7.608 -8.842 1.00 72.42 N ATOM 1404 CA ALA A 91 -4.523 -6.415 -8.043 1.00 74.41 C ATOM 1405 C ALA A 91 -3.613 -6.731 -6.849 1.00 34.54 C ATOM 1406 O ALA A 91 -3.702 -7.799 -6.241 1.00 52.12 O ATOM 1407 CB ALA A 91 -5.822 -5.779 -7.562 1.00 75.04 C ATOM 0 H ALA A 91 -5.444 -8.275 -8.390 1.00 72.42 H new ATOM 0 HA ALA A 91 -3.987 -5.713 -8.682 1.00 74.41 H new ATOM 0 HB1 ALA A 91 -5.596 -4.893 -6.969 1.00 75.04 H new ATOM 0 HB2 ALA A 91 -6.428 -5.495 -8.422 1.00 75.04 H new ATOM 0 HB3 ALA A 91 -6.373 -6.494 -6.951 1.00 75.04 H new ATOM 1413 N LEU A 92 -2.736 -5.787 -6.523 1.00 41.22 N ATOM 1414 CA LEU A 92 -1.827 -5.926 -5.385 1.00 74.15 C ATOM 1415 C LEU A 92 -2.541 -5.577 -4.070 1.00 3.44 C ATOM 1416 O LEU A 92 -2.853 -4.412 -3.811 1.00 13.44 O ATOM 1417 CB LEU A 92 -0.598 -5.022 -5.590 1.00 24.23 C ATOM 1418 CG LEU A 92 0.416 -4.984 -4.430 1.00 24.21 C ATOM 1419 CD1 LEU A 92 1.134 -6.324 -4.285 1.00 52.42 C ATOM 1420 CD2 LEU A 92 1.425 -3.851 -4.635 1.00 0.34 C ATOM 0 H LEU A 92 -2.634 -4.910 -7.034 1.00 41.22 H new ATOM 0 HA LEU A 92 -1.499 -6.964 -5.322 1.00 74.15 H new ATOM 0 HB2 LEU A 92 -0.078 -5.349 -6.490 1.00 24.23 H new ATOM 0 HB3 LEU A 92 -0.946 -4.006 -5.775 1.00 24.23 H new ATOM 0 HG LEU A 92 -0.133 -4.795 -3.508 1.00 24.21 H new ATOM 0 HD11 LEU A 92 1.844 -6.269 -3.459 1.00 52.42 H new ATOM 0 HD12 LEU A 92 0.404 -7.108 -4.085 1.00 52.42 H new ATOM 0 HD13 LEU A 92 1.668 -6.552 -5.207 1.00 52.42 H new ATOM 0 HD21 LEU A 92 2.133 -3.840 -3.806 1.00 0.34 H new ATOM 0 HD22 LEU A 92 1.963 -4.008 -5.570 1.00 0.34 H new ATOM 0 HD23 LEU A 92 0.898 -2.898 -4.675 1.00 0.34 H new ATOM 1432 N TYR A 93 -2.831 -6.594 -3.261 1.00 43.44 N ATOM 1433 CA TYR A 93 -3.448 -6.382 -1.947 1.00 3.31 C ATOM 1434 C TYR A 93 -2.395 -6.337 -0.835 1.00 32.55 C ATOM 1435 O TYR A 93 -1.454 -7.135 -0.811 1.00 51.14 O ATOM 1436 CB TYR A 93 -4.502 -7.458 -1.652 1.00 15.34 C ATOM 1437 CG TYR A 93 -5.756 -7.318 -2.494 1.00 61.20 C ATOM 1438 CD1 TYR A 93 -5.813 -7.803 -3.799 1.00 12.14 C ATOM 1439 CD2 TYR A 93 -6.881 -6.678 -1.984 1.00 20.14 C ATOM 1440 CE1 TYR A 93 -6.953 -7.652 -4.565 1.00 0.24 C ATOM 1441 CE2 TYR A 93 -8.021 -6.528 -2.744 1.00 63.24 C ATOM 1442 CZ TYR A 93 -8.055 -7.016 -4.033 1.00 22.23 C ATOM 1443 OH TYR A 93 -9.192 -6.863 -4.794 1.00 54.33 O ATOM 0 H TYR A 93 -2.650 -7.572 -3.489 1.00 43.44 H new ATOM 0 HA TYR A 93 -3.948 -5.414 -1.973 1.00 3.31 H new ATOM 0 HB2 TYR A 93 -4.065 -8.442 -1.825 1.00 15.34 H new ATOM 0 HB3 TYR A 93 -4.774 -7.411 -0.598 1.00 15.34 H new ATOM 0 HD1 TYR A 93 -4.953 -8.304 -4.218 1.00 12.14 H new ATOM 0 HD2 TYR A 93 -6.861 -6.292 -0.975 1.00 20.14 H new ATOM 0 HE1 TYR A 93 -6.981 -8.030 -5.576 1.00 0.24 H new ATOM 0 HE2 TYR A 93 -8.885 -6.029 -2.331 1.00 63.24 H new ATOM 0 HH TYR A 93 -9.876 -6.395 -4.270 1.00 54.33 H new ATOM 1453 N LEU A 94 -2.572 -5.393 0.085 1.00 24.10 N ATOM 1454 CA LEU A 94 -1.592 -5.124 1.139 1.00 41.41 C ATOM 1455 C LEU A 94 -2.234 -5.239 2.529 1.00 20.35 C ATOM 1456 O LEU A 94 -3.369 -4.805 2.729 1.00 74.24 O ATOM 1457 CB LEU A 94 -1.041 -3.700 0.961 1.00 41.25 C ATOM 1458 CG LEU A 94 -0.581 -3.334 -0.462 1.00 23.31 C ATOM 1459 CD1 LEU A 94 -0.128 -1.880 -0.528 1.00 21.45 C ATOM 1460 CD2 LEU A 94 0.528 -4.262 -0.934 1.00 51.32 C ATOM 0 H LEU A 94 -3.396 -4.793 0.123 1.00 24.10 H new ATOM 0 HA LEU A 94 -0.790 -5.858 1.062 1.00 41.41 H new ATOM 0 HB2 LEU A 94 -1.811 -2.992 1.267 1.00 41.25 H new ATOM 0 HB3 LEU A 94 -0.199 -3.569 1.640 1.00 41.25 H new ATOM 0 HG LEU A 94 -1.433 -3.458 -1.130 1.00 23.31 H new ATOM 0 HD11 LEU A 94 0.192 -1.644 -1.543 1.00 21.45 H new ATOM 0 HD12 LEU A 94 -0.956 -1.228 -0.248 1.00 21.45 H new ATOM 0 HD13 LEU A 94 0.703 -1.726 0.160 1.00 21.45 H new ATOM 0 HD21 LEU A 94 0.834 -3.981 -1.942 1.00 51.32 H new ATOM 0 HD22 LEU A 94 1.381 -4.181 -0.260 1.00 51.32 H new ATOM 0 HD23 LEU A 94 0.165 -5.290 -0.939 1.00 51.32 H new ATOM 1472 N ARG A 95 -1.517 -5.816 3.487 1.00 11.00 N ATOM 1473 CA ARG A 95 -1.977 -5.819 4.881 1.00 64.44 C ATOM 1474 C ARG A 95 -0.788 -5.697 5.843 1.00 14.14 C ATOM 1475 O ARG A 95 0.341 -6.044 5.497 1.00 55.41 O ATOM 1476 CB ARG A 95 -2.803 -7.077 5.192 1.00 42.14 C ATOM 1477 CG ARG A 95 -2.001 -8.374 5.251 1.00 54.24 C ATOM 1478 CD ARG A 95 -2.903 -9.570 5.550 1.00 53.00 C ATOM 1479 NE ARG A 95 -3.785 -9.331 6.693 1.00 35.42 N ATOM 1480 CZ ARG A 95 -4.742 -10.142 7.063 1.00 54.13 C ATOM 1481 NH1 ARG A 95 -4.904 -11.286 6.477 1.00 65.04 N ATOM 1482 NH2 ARG A 95 -5.527 -9.820 8.040 1.00 31.33 N ATOM 0 H ARG A 95 -0.624 -6.284 3.332 1.00 11.00 H new ATOM 0 HA ARG A 95 -2.624 -4.953 5.022 1.00 64.44 H new ATOM 0 HB2 ARG A 95 -3.308 -6.935 6.148 1.00 42.14 H new ATOM 0 HB3 ARG A 95 -3.579 -7.181 4.434 1.00 42.14 H new ATOM 0 HG2 ARG A 95 -1.488 -8.531 4.302 1.00 54.24 H new ATOM 0 HG3 ARG A 95 -1.232 -8.294 6.020 1.00 54.24 H new ATOM 0 HD2 ARG A 95 -3.506 -9.796 4.670 1.00 53.00 H new ATOM 0 HD3 ARG A 95 -2.286 -10.447 5.748 1.00 53.00 H new ATOM 0 HE ARG A 95 -3.645 -8.478 7.235 1.00 35.42 H new ATOM 0 HH11 ARG A 95 -4.281 -11.563 5.718 1.00 65.04 H new ATOM 0 HH12 ARG A 95 -5.654 -11.910 6.775 1.00 65.04 H new ATOM 0 HH21 ARG A 95 -5.400 -8.931 8.524 1.00 31.33 H new ATOM 0 HH22 ARG A 95 -6.272 -10.455 8.326 1.00 31.33 H new ATOM 1496 N ALA A 96 -1.045 -5.197 7.046 1.00 11.14 N ATOM 1497 CA ALA A 96 0.020 -4.916 8.013 1.00 52.25 C ATOM 1498 C ALA A 96 0.624 -6.195 8.611 1.00 34.51 C ATOM 1499 O ALA A 96 -0.077 -7.183 8.840 1.00 73.14 O ATOM 1500 CB ALA A 96 -0.512 -4.019 9.128 1.00 52.52 C ATOM 0 H ALA A 96 -1.983 -4.976 7.380 1.00 11.14 H new ATOM 0 HA ALA A 96 0.818 -4.404 7.475 1.00 52.25 H new ATOM 0 HB1 ALA A 96 0.285 -3.815 9.842 1.00 52.52 H new ATOM 0 HB2 ALA A 96 -0.867 -3.080 8.702 1.00 52.52 H new ATOM 0 HB3 ALA A 96 -1.335 -4.520 9.637 1.00 52.52 H new ATOM 1506 N LYS A 97 1.930 -6.163 8.871 1.00 5.32 N ATOM 1507 CA LYS A 97 2.608 -7.263 9.560 1.00 53.23 C ATOM 1508 C LYS A 97 2.323 -7.204 11.070 1.00 34.41 C ATOM 1509 O LYS A 97 2.961 -6.456 11.816 1.00 45.11 O ATOM 1510 CB LYS A 97 4.124 -7.204 9.282 1.00 42.31 C ATOM 1511 CG LYS A 97 4.979 -8.128 10.155 1.00 61.41 C ATOM 1512 CD LYS A 97 4.586 -9.601 10.045 1.00 13.22 C ATOM 1513 CE LYS A 97 4.840 -10.171 8.654 1.00 2.31 C ATOM 1514 NZ LYS A 97 4.628 -11.642 8.621 1.00 45.43 N ATOM 0 H LYS A 97 2.541 -5.387 8.615 1.00 5.32 H new ATOM 0 HA LYS A 97 2.225 -8.211 9.181 1.00 53.23 H new ATOM 0 HB2 LYS A 97 4.296 -7.456 8.236 1.00 42.31 H new ATOM 0 HB3 LYS A 97 4.464 -6.178 9.423 1.00 42.31 H new ATOM 0 HG2 LYS A 97 6.026 -8.017 9.872 1.00 61.41 H new ATOM 0 HG3 LYS A 97 4.895 -7.814 11.195 1.00 61.41 H new ATOM 0 HD2 LYS A 97 5.147 -10.179 10.779 1.00 13.22 H new ATOM 0 HD3 LYS A 97 3.530 -9.711 10.292 1.00 13.22 H new ATOM 0 HE2 LYS A 97 4.176 -9.690 7.936 1.00 2.31 H new ATOM 0 HE3 LYS A 97 5.861 -9.942 8.347 1.00 2.31 H new ATOM 0 HZ1 LYS A 97 4.809 -11.997 7.661 1.00 45.43 H new ATOM 0 HZ2 LYS A 97 5.279 -12.102 9.289 1.00 45.43 H new ATOM 0 HZ3 LYS A 97 3.647 -11.857 8.891 1.00 45.43 H new