USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 56 THR OG1 : rot -50:sc= 1.1 USER MOD Set 1.2: A 71 ASN : amide:sc= 1.54 K(o=2.6,f=-4.2!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.332 K(o=0.76,f=-2.1) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.424 K(o=0.76,f=-0.21) USER MOD Set 3.1: A 20 GLN : amide:sc= 0.872 K(o=2.2,f=0.57) USER MOD Set 3.2: A 88 TYR OH : rot 37:sc= 1.29 USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.932) USER MOD Single : A 21 ASN : amide:sc= 1.04 K(o=1,f=-6.1e-05) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 1.17 K(o=1.2,f=-0.035) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 2.06 (180deg=2.02) USER MOD Single : A 33 GLN : amide:sc= 0.802 K(o=0.8,f=-4.5!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -103:sc= 1.12 USER MOD Single : A 41 THR OG1 : rot -2:sc= 0.73 USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.572 K(o=0.57,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0.568 USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 1.85 (180deg=0.216) USER MOD Single : A 73 THR OG1 : rot -86:sc= 1.02 USER MOD Single : A 80 GLN : amide:sc= 1.03 K(o=1,f=-0.18) USER MOD Single : A 107 ASN : amide:sc= 0.421 X(o=0.42,f=-0.018) USER MOD Single : A 112 LYS NZ :NH3+ -106:sc= 2.26 (180deg=-0.28) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 -0.711 -2.636 -1.140 1.00 0.00 N ATOM 265 CA ILE A 18 -0.374 -1.941 0.128 1.00 0.00 C ATOM 266 C ILE A 18 0.471 -2.928 0.986 1.00 0.00 C ATOM 267 O ILE A 18 0.024 -4.024 1.343 1.00 0.00 O ATOM 268 CB ILE A 18 -1.710 -1.556 0.845 1.00 0.00 C ATOM 269 CG1 ILE A 18 -2.593 -0.556 0.052 1.00 0.00 C ATOM 270 CG2 ILE A 18 -1.529 -1.026 2.287 1.00 0.00 C ATOM 271 CD1 ILE A 18 -1.927 0.753 -0.351 1.00 0.00 C ATOM 0 HA ILE A 18 0.200 -1.029 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.229 -2.513 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.947 -1.053 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.472 -0.323 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.504 -0.783 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.048 -1.790 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.907 -0.131 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.639 1.370 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.598 1.284 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.066 0.543 -0.985 1.00 0.00 H new ATOM 283 N LYS A 19 1.669 -2.484 1.357 1.00 0.00 N ATOM 284 CA LYS A 19 2.600 -3.275 2.200 1.00 0.00 C ATOM 285 C LYS A 19 2.510 -2.704 3.648 1.00 0.00 C ATOM 286 O LYS A 19 3.343 -1.894 4.051 1.00 0.00 O ATOM 287 CB LYS A 19 4.034 -3.212 1.601 1.00 0.00 C ATOM 288 CG LYS A 19 4.193 -3.694 0.137 1.00 0.00 C ATOM 289 CD LYS A 19 4.042 -2.565 -0.904 1.00 0.00 C ATOM 290 CE LYS A 19 3.840 -3.103 -2.326 1.00 0.00 C ATOM 291 NZ LYS A 19 3.479 -1.980 -3.232 1.00 0.00 N ATOM 0 H LYS A 19 2.034 -1.570 1.089 1.00 0.00 H new ATOM 0 HA LYS A 19 2.333 -4.332 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.384 -2.181 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.693 -3.810 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.173 -4.156 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.450 -4.466 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.194 -1.936 -0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.929 -1.932 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.751 -3.589 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.054 -3.858 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.540 -2.298 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.508 -1.668 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.136 -1.188 -3.082 1.00 0.00 H new ATOM 305 N GLN A 20 1.441 -3.048 4.395 1.00 0.00 N ATOM 306 CA GLN A 20 0.875 -2.125 5.430 1.00 0.00 C ATOM 307 C GLN A 20 1.827 -1.689 6.578 1.00 0.00 C ATOM 308 O GLN A 20 1.959 -0.487 6.808 1.00 0.00 O ATOM 309 CB GLN A 20 -0.452 -2.728 5.953 1.00 0.00 C ATOM 310 CG GLN A 20 -1.539 -1.730 6.398 1.00 0.00 C ATOM 311 CD GLN A 20 -1.233 -0.658 7.425 1.00 0.00 C ATOM 312 OE1 GLN A 20 -1.277 0.533 7.127 1.00 0.00 O ATOM 313 NE2 GLN A 20 -0.948 -1.012 8.655 1.00 0.00 N ATOM 0 H GLN A 20 0.952 -3.939 4.312 1.00 0.00 H new ATOM 0 HA GLN A 20 0.700 -1.175 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.871 -3.360 5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.221 -3.378 6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.895 -1.223 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.373 -2.316 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.911 -2.000 8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.764 -0.299 9.361 1.00 0.00 H new ATOM 322 N ASN A 21 2.510 -2.632 7.245 1.00 0.00 N ATOM 323 CA ASN A 21 3.557 -2.286 8.248 1.00 0.00 C ATOM 324 C ASN A 21 4.837 -1.590 7.676 1.00 0.00 C ATOM 325 O ASN A 21 5.389 -0.740 8.368 1.00 0.00 O ATOM 326 CB ASN A 21 3.934 -3.502 9.122 1.00 0.00 C ATOM 327 CG ASN A 21 2.823 -3.997 10.042 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.178 -5.007 9.780 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.552 -3.321 11.134 1.00 0.00 N ATOM 0 H ASN A 21 2.366 -3.634 7.118 1.00 0.00 H new ATOM 0 HA ASN A 21 3.083 -1.528 8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.238 -4.320 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.800 -3.240 9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.809 -3.637 11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.084 -2.480 11.359 1.00 0.00 H new ATOM 336 N ALA A 22 5.266 -1.869 6.430 1.00 0.00 N ATOM 337 CA ALA A 22 6.212 -0.975 5.711 1.00 0.00 C ATOM 338 C ALA A 22 5.680 0.457 5.373 1.00 0.00 C ATOM 339 O ALA A 22 6.447 1.404 5.524 1.00 0.00 O ATOM 340 CB ALA A 22 6.705 -1.711 4.459 1.00 0.00 C ATOM 0 H ALA A 22 4.981 -2.693 5.901 1.00 0.00 H new ATOM 0 HA ALA A 22 7.032 -0.767 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.402 -1.075 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.209 -2.632 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.855 -1.950 3.820 1.00 0.00 H new ATOM 346 N VAL A 23 4.407 0.637 4.973 1.00 0.00 N ATOM 347 CA VAL A 23 3.783 1.992 4.819 1.00 0.00 C ATOM 348 C VAL A 23 3.620 2.791 6.170 1.00 0.00 C ATOM 349 O VAL A 23 3.899 3.991 6.205 1.00 0.00 O ATOM 350 CB VAL A 23 2.442 1.947 4.014 1.00 0.00 C ATOM 351 CG1 VAL A 23 1.944 3.380 3.686 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.522 1.200 2.664 1.00 0.00 C ATOM 0 H VAL A 23 3.778 -0.133 4.747 1.00 0.00 H new ATOM 0 HA VAL A 23 4.505 2.557 4.230 1.00 0.00 H new ATOM 0 HB VAL A 23 1.763 1.406 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.011 3.322 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.777 3.928 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.694 3.898 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.546 1.221 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.257 1.686 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.819 0.166 2.838 1.00 0.00 H new ATOM 362 N GLU A 24 3.199 2.131 7.250 1.00 0.00 N ATOM 363 CA GLU A 24 3.334 2.647 8.642 1.00 0.00 C ATOM 364 C GLU A 24 4.787 2.984 9.096 1.00 0.00 C ATOM 365 O GLU A 24 5.027 4.099 9.566 1.00 0.00 O ATOM 366 CB GLU A 24 2.539 1.623 9.490 1.00 0.00 C ATOM 367 CG GLU A 24 2.722 1.589 11.013 1.00 0.00 C ATOM 368 CD GLU A 24 3.720 0.535 11.490 1.00 0.00 C ATOM 369 OE1 GLU A 24 3.416 -0.675 11.378 1.00 0.00 O ATOM 370 OE2 GLU A 24 4.800 0.910 11.987 1.00 0.00 O ATOM 0 H GLU A 24 2.750 1.217 7.199 1.00 0.00 H new ATOM 0 HA GLU A 24 2.919 3.648 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.480 1.790 9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.780 0.630 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.054 2.570 11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.756 1.400 11.482 1.00 0.00 H new ATOM 377 N GLN A 25 5.744 2.063 8.921 1.00 0.00 N ATOM 378 CA GLN A 25 7.146 2.249 9.386 1.00 0.00 C ATOM 379 C GLN A 25 8.066 3.145 8.496 1.00 0.00 C ATOM 380 O GLN A 25 9.034 3.683 9.037 1.00 0.00 O ATOM 381 CB GLN A 25 7.728 0.825 9.600 1.00 0.00 C ATOM 382 CG GLN A 25 9.062 0.765 10.372 1.00 0.00 C ATOM 383 CD GLN A 25 9.602 -0.650 10.535 1.00 0.00 C ATOM 384 OE1 GLN A 25 9.381 -1.325 11.533 1.00 0.00 O ATOM 385 NE2 GLN A 25 10.345 -1.149 9.575 1.00 0.00 N ATOM 0 H GLN A 25 5.581 1.169 8.457 1.00 0.00 H new ATOM 0 HA GLN A 25 7.119 2.829 10.308 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.991 0.226 10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.871 0.359 8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.803 1.371 9.851 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.923 1.209 11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.536 -0.597 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.731 -2.089 9.665 1.00 0.00 H new ATOM 394 N LEU A 26 7.802 3.323 7.183 1.00 0.00 N ATOM 395 CA LEU A 26 8.688 4.100 6.266 1.00 0.00 C ATOM 396 C LEU A 26 9.121 5.540 6.663 1.00 0.00 C ATOM 397 O LEU A 26 10.235 5.929 6.311 1.00 0.00 O ATOM 398 CB LEU A 26 8.222 3.974 4.786 1.00 0.00 C ATOM 399 CG LEU A 26 6.828 4.469 4.364 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.686 5.984 4.233 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.448 3.859 2.992 1.00 0.00 C ATOM 0 H LEU A 26 6.976 2.938 6.724 1.00 0.00 H new ATOM 0 HA LEU A 26 9.645 3.594 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.951 4.503 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.285 2.920 4.517 1.00 0.00 H new ATOM 0 HG LEU A 26 6.170 4.149 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.668 6.229 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.904 6.454 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.385 6.351 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.460 4.213 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.180 4.163 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.436 2.772 3.068 1.00 0.00 H new ATOM 413 N GLN A 27 8.270 6.299 7.386 1.00 0.00 N ATOM 414 CA GLN A 27 8.624 7.626 7.982 1.00 0.00 C ATOM 415 C GLN A 27 9.356 8.648 7.054 1.00 0.00 C ATOM 416 O GLN A 27 10.383 9.234 7.409 1.00 0.00 O ATOM 417 CB GLN A 27 9.294 7.336 9.348 1.00 0.00 C ATOM 418 CG GLN A 27 9.358 8.534 10.315 1.00 0.00 C ATOM 419 CD GLN A 27 9.883 8.173 11.699 1.00 0.00 C ATOM 420 OE1 GLN A 27 9.159 8.157 12.687 1.00 0.00 O ATOM 421 NE2 GLN A 27 11.153 7.869 11.823 1.00 0.00 N ATOM 0 H GLN A 27 7.310 6.015 7.580 1.00 0.00 H new ATOM 0 HA GLN A 27 7.711 8.202 8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.753 6.525 9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.308 6.980 9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.996 9.305 9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.361 8.964 10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.762 7.880 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.531 7.622 12.737 1.00 0.00 H new ATOM 430 N VAL A 28 8.797 8.857 5.853 1.00 0.00 N ATOM 431 CA VAL A 28 9.424 9.712 4.807 1.00 0.00 C ATOM 432 C VAL A 28 8.926 11.180 4.995 1.00 0.00 C ATOM 433 O VAL A 28 7.723 11.441 5.062 1.00 0.00 O ATOM 434 CB VAL A 28 9.130 9.125 3.388 1.00 0.00 C ATOM 435 CG1 VAL A 28 9.623 10.021 2.230 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.824 7.754 3.167 1.00 0.00 C ATOM 0 H VAL A 28 7.906 8.447 5.571 1.00 0.00 H new ATOM 0 HA VAL A 28 10.509 9.723 4.906 1.00 0.00 H new ATOM 0 HB VAL A 28 8.043 9.043 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.384 9.549 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.132 10.992 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.702 10.155 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.591 7.385 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.903 7.872 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.466 7.041 3.910 1.00 0.00 H new ATOM 446 N GLY A 29 9.887 12.107 5.065 1.00 0.00 N ATOM 447 CA GLY A 29 9.625 13.551 5.251 1.00 0.00 C ATOM 448 C GLY A 29 10.025 14.485 4.100 1.00 0.00 C ATOM 449 O GLY A 29 9.335 15.478 3.901 1.00 0.00 O ATOM 0 H GLY A 29 10.879 11.881 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.559 13.681 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.148 13.877 6.150 1.00 0.00 H new ATOM 453 N GLN A 30 11.122 14.220 3.379 1.00 0.00 N ATOM 454 CA GLN A 30 11.612 15.113 2.293 1.00 0.00 C ATOM 455 C GLN A 30 11.312 14.662 0.824 1.00 0.00 C ATOM 456 O GLN A 30 11.536 15.474 -0.072 1.00 0.00 O ATOM 457 CB GLN A 30 13.135 15.351 2.511 1.00 0.00 C ATOM 458 CG GLN A 30 13.641 16.745 2.054 1.00 0.00 C ATOM 459 CD GLN A 30 13.230 17.895 2.973 1.00 0.00 C ATOM 460 OE1 GLN A 30 13.386 17.835 4.189 1.00 0.00 O ATOM 461 NE2 GLN A 30 12.702 18.977 2.458 1.00 0.00 N ATOM 0 H GLN A 30 11.698 13.391 3.521 1.00 0.00 H new ATOM 0 HA GLN A 30 11.038 16.035 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.361 15.226 3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.690 14.583 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.729 16.720 1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.264 16.944 1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.564 19.047 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.429 19.750 3.065 1.00 0.00 H new ATOM 470 N SER A 31 10.825 13.434 0.553 1.00 0.00 N ATOM 471 CA SER A 31 10.763 12.901 -0.835 1.00 0.00 C ATOM 472 C SER A 31 9.391 12.250 -1.184 1.00 0.00 C ATOM 473 O SER A 31 9.092 11.119 -0.783 1.00 0.00 O ATOM 474 CB SER A 31 11.914 11.875 -1.034 1.00 0.00 C ATOM 475 OG SER A 31 13.188 12.515 -1.012 1.00 0.00 O ATOM 0 H SER A 31 10.471 12.794 1.264 1.00 0.00 H new ATOM 0 HA SER A 31 10.878 13.744 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.870 11.120 -0.249 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.782 11.356 -1.983 1.00 0.00 H new ATOM 0 HG SER A 31 13.893 11.846 -1.138 1.00 0.00 H new ATOM 481 N LYS A 32 8.599 12.938 -2.019 1.00 0.00 N ATOM 482 CA LYS A 32 7.323 12.401 -2.565 1.00 0.00 C ATOM 483 C LYS A 32 7.388 11.126 -3.463 1.00 0.00 C ATOM 484 O LYS A 32 6.533 10.243 -3.356 1.00 0.00 O ATOM 485 CB LYS A 32 6.505 13.537 -3.222 1.00 0.00 C ATOM 486 CG LYS A 32 6.971 14.152 -4.553 1.00 0.00 C ATOM 487 CD LYS A 32 5.848 15.002 -5.200 1.00 0.00 C ATOM 488 CE LYS A 32 5.674 16.378 -4.553 1.00 0.00 C ATOM 489 NZ LYS A 32 4.357 16.980 -4.891 1.00 0.00 N ATOM 0 H LYS A 32 8.816 13.882 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 32 6.809 12.014 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.494 13.161 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.437 14.348 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.849 14.775 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.271 13.359 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.067 15.133 -6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.907 14.457 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.765 16.286 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.473 17.040 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.253 17.888 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.300 17.138 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.595 16.336 -4.597 1.00 0.00 H new ATOM 503 N GLN A 33 8.409 11.043 -4.317 1.00 0.00 N ATOM 504 CA GLN A 33 8.719 9.846 -5.125 1.00 0.00 C ATOM 505 C GLN A 33 9.124 8.557 -4.358 1.00 0.00 C ATOM 506 O GLN A 33 8.861 7.472 -4.872 1.00 0.00 O ATOM 507 CB GLN A 33 9.731 10.244 -6.230 1.00 0.00 C ATOM 508 CG GLN A 33 11.209 10.493 -5.865 1.00 0.00 C ATOM 509 CD GLN A 33 11.569 11.725 -5.044 1.00 0.00 C ATOM 510 OE1 GLN A 33 10.761 12.565 -4.662 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.831 11.884 -4.727 1.00 0.00 N ATOM 0 H GLN A 33 9.058 11.814 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 33 7.774 9.527 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.711 9.459 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.356 11.152 -6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.565 9.619 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.774 10.541 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.524 11.200 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.120 12.692 -4.175 1.00 0.00 H new ATOM 520 N GLN A 34 9.716 8.647 -3.153 1.00 0.00 N ATOM 521 CA GLN A 34 10.002 7.451 -2.314 1.00 0.00 C ATOM 522 C GLN A 34 8.728 6.734 -1.763 1.00 0.00 C ATOM 523 O GLN A 34 8.587 5.528 -1.981 1.00 0.00 O ATOM 524 CB GLN A 34 10.978 7.824 -1.173 1.00 0.00 C ATOM 525 CG GLN A 34 12.409 8.203 -1.607 1.00 0.00 C ATOM 526 CD GLN A 34 13.264 7.048 -2.107 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.829 6.282 -1.336 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.398 6.875 -3.400 1.00 0.00 N ATOM 0 H GLN A 34 10.008 9.529 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 34 10.472 6.720 -2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.554 8.661 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.039 6.982 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.345 8.954 -2.395 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.916 8.669 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.932 7.507 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.969 6.108 -3.755 1.00 0.00 H new ATOM 537 N VAL A 35 7.790 7.455 -1.121 1.00 0.00 N ATOM 538 CA VAL A 35 6.466 6.870 -0.726 1.00 0.00 C ATOM 539 C VAL A 35 5.581 6.368 -1.911 1.00 0.00 C ATOM 540 O VAL A 35 5.037 5.262 -1.838 1.00 0.00 O ATOM 541 CB VAL A 35 5.765 7.840 0.275 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.144 9.105 -0.339 1.00 0.00 C ATOM 543 CG2 VAL A 35 4.678 7.138 1.108 1.00 0.00 C ATOM 0 H VAL A 35 7.909 8.434 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 35 6.648 5.929 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 35 6.596 8.160 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.685 9.704 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.921 9.689 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.385 8.821 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.221 7.856 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.916 6.732 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.127 6.328 1.683 1.00 0.00 H new ATOM 553 N SER A 36 5.492 7.140 -3.005 1.00 0.00 N ATOM 554 CA SER A 36 4.775 6.721 -4.232 1.00 0.00 C ATOM 555 C SER A 36 5.416 5.564 -5.050 1.00 0.00 C ATOM 556 O SER A 36 4.669 4.733 -5.563 1.00 0.00 O ATOM 557 CB SER A 36 4.552 7.997 -5.074 1.00 0.00 C ATOM 558 OG SER A 36 3.429 7.860 -5.937 1.00 0.00 O ATOM 0 H SER A 36 5.910 8.068 -3.070 1.00 0.00 H new ATOM 0 HA SER A 36 3.833 6.264 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.402 8.850 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.444 8.205 -5.665 1.00 0.00 H new ATOM 0 HG SER A 36 3.738 7.698 -6.853 1.00 0.00 H new ATOM 564 N ALA A 37 6.752 5.451 -5.131 1.00 0.00 N ATOM 565 CA ALA A 37 7.420 4.234 -5.661 1.00 0.00 C ATOM 566 C ALA A 37 7.264 2.939 -4.804 1.00 0.00 C ATOM 567 O ALA A 37 6.999 1.881 -5.381 1.00 0.00 O ATOM 568 CB ALA A 37 8.902 4.570 -5.882 1.00 0.00 C ATOM 0 H ALA A 37 7.398 6.184 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 37 6.912 3.980 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.420 3.693 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.987 5.389 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.353 4.866 -4.935 1.00 0.00 H new ATOM 574 N LEU A 38 7.381 3.015 -3.464 1.00 0.00 N ATOM 575 CA LEU A 38 7.080 1.862 -2.562 1.00 0.00 C ATOM 576 C LEU A 38 5.601 1.341 -2.624 1.00 0.00 C ATOM 577 O LEU A 38 5.371 0.133 -2.749 1.00 0.00 O ATOM 578 CB LEU A 38 7.505 2.214 -1.109 1.00 0.00 C ATOM 579 CG LEU A 38 8.938 1.791 -0.706 1.00 0.00 C ATOM 580 CD1 LEU A 38 10.051 2.493 -1.488 1.00 0.00 C ATOM 581 CD2 LEU A 38 9.145 2.075 0.796 1.00 0.00 C ATOM 0 H LEU A 38 7.681 3.857 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 38 7.670 1.022 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.413 3.292 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.801 1.746 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 38 9.013 0.729 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.021 2.136 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.943 2.274 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.983 3.569 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.153 1.779 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.010 3.140 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.418 1.507 1.377 1.00 0.00 H new ATOM 593 N LEU A 39 4.618 2.245 -2.595 1.00 0.00 N ATOM 594 CA LEU A 39 3.207 1.917 -2.937 1.00 0.00 C ATOM 595 C LEU A 39 2.933 1.464 -4.412 1.00 0.00 C ATOM 596 O LEU A 39 2.114 0.564 -4.626 1.00 0.00 O ATOM 597 CB LEU A 39 2.361 3.162 -2.572 1.00 0.00 C ATOM 598 CG LEU A 39 2.213 3.392 -1.057 1.00 0.00 C ATOM 599 CD1 LEU A 39 1.751 4.821 -0.776 1.00 0.00 C ATOM 600 CD2 LEU A 39 1.234 2.398 -0.440 1.00 0.00 C ATOM 0 H LEU A 39 4.763 3.221 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 39 2.934 1.031 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.818 4.044 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.369 3.057 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 39 3.191 3.237 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.652 4.966 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.484 5.525 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.788 4.993 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.151 2.586 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.255 2.514 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.595 1.383 -0.603 1.00 0.00 H new ATOM 612 N GLY A 40 3.610 2.076 -5.387 1.00 0.00 N ATOM 613 CA GLY A 40 3.474 1.756 -6.821 1.00 0.00 C ATOM 614 C GLY A 40 2.522 2.698 -7.568 1.00 0.00 C ATOM 615 O GLY A 40 1.398 2.312 -7.897 1.00 0.00 O ATOM 0 H GLY A 40 4.281 2.822 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.457 1.798 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.115 0.732 -6.925 1.00 0.00 H new ATOM 619 N THR A 41 2.949 3.943 -7.774 1.00 0.00 N ATOM 620 CA THR A 41 2.119 5.033 -8.375 1.00 0.00 C ATOM 621 C THR A 41 3.088 6.218 -8.739 1.00 0.00 C ATOM 622 O THR A 41 3.968 6.530 -7.926 1.00 0.00 O ATOM 623 CB THR A 41 1.000 5.495 -7.388 1.00 0.00 C ATOM 624 OG1 THR A 41 0.111 4.407 -7.139 1.00 0.00 O ATOM 625 CG2 THR A 41 0.109 6.634 -7.864 1.00 0.00 C ATOM 0 H THR A 41 3.892 4.246 -7.531 1.00 0.00 H new ATOM 0 HA THR A 41 1.612 4.675 -9.271 1.00 0.00 H new ATOM 0 HB THR A 41 1.556 5.845 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.390 3.630 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.628 6.865 -7.095 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.719 7.516 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.403 6.337 -8.779 1.00 0.00 H new ATOM 633 N PRO A 42 2.961 6.946 -9.877 1.00 0.00 N ATOM 634 CA PRO A 42 3.769 8.186 -10.125 1.00 0.00 C ATOM 635 C PRO A 42 3.353 9.394 -9.236 1.00 0.00 C ATOM 636 O PRO A 42 2.167 9.691 -9.064 1.00 0.00 O ATOM 637 CB PRO A 42 3.521 8.429 -11.637 1.00 0.00 C ATOM 638 CG PRO A 42 2.103 7.866 -11.886 1.00 0.00 C ATOM 639 CD PRO A 42 2.039 6.621 -10.985 1.00 0.00 C ATOM 0 HA PRO A 42 4.821 8.070 -9.865 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.577 9.489 -11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.265 7.919 -12.249 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.333 8.591 -11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.953 7.609 -12.935 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.027 6.439 -10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.353 5.724 -11.518 1.00 0.00 H new ATOM 647 N SER A 43 4.348 10.093 -8.680 1.00 0.00 N ATOM 648 CA SER A 43 4.133 11.327 -7.896 1.00 0.00 C ATOM 649 C SER A 43 3.884 12.589 -8.778 1.00 0.00 C ATOM 650 O SER A 43 3.960 12.559 -10.009 1.00 0.00 O ATOM 651 CB SER A 43 5.360 11.459 -6.949 1.00 0.00 C ATOM 652 OG SER A 43 6.594 11.679 -7.636 1.00 0.00 O ATOM 0 H SER A 43 5.329 9.824 -8.757 1.00 0.00 H new ATOM 0 HA SER A 43 3.212 11.257 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.187 12.284 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.444 10.553 -6.350 1.00 0.00 H new ATOM 0 HG SER A 43 7.292 11.912 -6.989 1.00 0.00 H new ATOM 658 N ILE A 44 3.563 13.700 -8.109 1.00 0.00 N ATOM 659 CA ILE A 44 3.005 14.918 -8.765 1.00 0.00 C ATOM 660 C ILE A 44 4.015 16.114 -8.596 1.00 0.00 C ATOM 661 O ILE A 44 3.923 16.840 -7.597 1.00 0.00 O ATOM 662 CB ILE A 44 1.557 15.257 -8.237 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.565 14.068 -8.409 1.00 0.00 C ATOM 664 CG2 ILE A 44 0.979 16.493 -8.975 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.773 14.265 -7.698 1.00 0.00 C ATOM 0 H ILE A 44 3.677 13.795 -7.100 1.00 0.00 H new ATOM 0 HA ILE A 44 2.886 14.727 -9.832 1.00 0.00 H new ATOM 0 HB ILE A 44 1.663 15.466 -7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.380 13.914 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.034 13.159 -8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.020 16.709 -8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.626 17.354 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.924 16.286 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.406 13.394 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.602 14.388 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.267 15.154 -8.091 1.00 0.00 H new ATOM 677 N PRO A 45 4.951 16.376 -9.544 1.00 0.00 N ATOM 678 CA PRO A 45 5.826 17.587 -9.509 1.00 0.00 C ATOM 679 C PRO A 45 5.226 18.798 -10.279 1.00 0.00 C ATOM 680 O PRO A 45 5.539 19.026 -11.450 1.00 0.00 O ATOM 681 CB PRO A 45 7.133 17.017 -10.130 1.00 0.00 C ATOM 682 CG PRO A 45 6.642 16.001 -11.191 1.00 0.00 C ATOM 683 CD PRO A 45 5.391 15.382 -10.551 1.00 0.00 C ATOM 0 HA PRO A 45 5.967 18.017 -8.518 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.735 17.805 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.755 16.535 -9.375 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.408 16.491 -12.136 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.399 15.246 -11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.614 15.201 -11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.618 14.422 -10.087 1.00 0.00 H new ATOM 691 N ASP A 46 4.397 19.597 -9.593 1.00 0.00 N ATOM 692 CA ASP A 46 3.852 20.864 -10.147 1.00 0.00 C ATOM 693 C ASP A 46 4.945 21.992 -10.049 1.00 0.00 C ATOM 694 O ASP A 46 5.274 22.385 -8.924 1.00 0.00 O ATOM 695 CB ASP A 46 2.544 21.352 -9.471 1.00 0.00 C ATOM 696 CG ASP A 46 1.482 20.320 -9.127 1.00 0.00 C ATOM 697 OD1 ASP A 46 0.804 19.819 -10.046 1.00 0.00 O ATOM 698 OD2 ASP A 46 1.324 20.002 -7.924 1.00 0.00 O ATOM 0 H ASP A 46 4.082 19.394 -8.645 1.00 0.00 H new ATOM 0 HA ASP A 46 3.592 20.651 -11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.818 21.867 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.087 22.093 -10.127 1.00 0.00 H new ATOM 703 N PRO A 47 5.532 22.544 -11.145 1.00 0.00 N ATOM 704 CA PRO A 47 6.622 23.575 -11.033 1.00 0.00 C ATOM 705 C PRO A 47 6.257 24.987 -10.499 1.00 0.00 C ATOM 706 O PRO A 47 7.166 25.759 -10.187 1.00 0.00 O ATOM 707 CB PRO A 47 7.191 23.594 -12.476 1.00 0.00 C ATOM 708 CG PRO A 47 5.988 23.211 -13.370 1.00 0.00 C ATOM 709 CD PRO A 47 5.246 22.151 -12.538 1.00 0.00 C ATOM 0 HA PRO A 47 7.325 23.295 -10.249 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.582 24.578 -12.736 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.011 22.885 -12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.354 24.072 -13.580 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.313 22.812 -14.331 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.176 22.156 -12.745 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.608 21.146 -12.754 1.00 0.00 H new ATOM 717 N PHE A 48 4.961 25.299 -10.338 1.00 0.00 N ATOM 718 CA PHE A 48 4.510 26.429 -9.484 1.00 0.00 C ATOM 719 C PHE A 48 4.609 26.108 -7.954 1.00 0.00 C ATOM 720 O PHE A 48 5.333 26.798 -7.237 1.00 0.00 O ATOM 721 CB PHE A 48 3.092 26.809 -9.979 1.00 0.00 C ATOM 722 CG PHE A 48 2.519 28.090 -9.356 1.00 0.00 C ATOM 723 CD1 PHE A 48 2.860 29.352 -9.869 1.00 0.00 C ATOM 724 CD2 PHE A 48 1.652 28.023 -8.253 1.00 0.00 C ATOM 725 CE1 PHE A 48 2.350 30.516 -9.291 1.00 0.00 C ATOM 726 CE2 PHE A 48 1.144 29.187 -7.675 1.00 0.00 C ATOM 727 CZ PHE A 48 1.494 30.432 -8.195 1.00 0.00 C ATOM 0 H PHE A 48 4.200 24.788 -10.785 1.00 0.00 H new ATOM 0 HA PHE A 48 5.168 27.292 -9.583 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.120 26.928 -11.062 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.414 25.983 -9.767 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.523 29.423 -10.719 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.376 27.061 -7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.619 31.481 -9.693 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.480 29.123 -6.825 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.101 31.333 -7.748 1.00 0.00 H new ATOM 737 N HIS A 49 3.869 25.095 -7.475 1.00 0.00 N ATOM 738 CA HIS A 49 3.899 24.648 -6.058 1.00 0.00 C ATOM 739 C HIS A 49 3.423 23.167 -6.043 1.00 0.00 C ATOM 740 O HIS A 49 2.243 22.901 -6.291 1.00 0.00 O ATOM 741 CB HIS A 49 3.034 25.603 -5.210 1.00 0.00 C ATOM 742 CG HIS A 49 3.045 25.350 -3.702 1.00 0.00 C ATOM 743 ND1 HIS A 49 4.166 25.148 -2.925 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.904 25.315 -2.895 1.00 0.00 C ATOM 745 CE1 HIS A 49 3.581 24.956 -1.702 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.216 25.046 -1.577 1.00 0.00 N ATOM 0 H HIS A 49 3.228 24.555 -8.056 1.00 0.00 H new ATOM 0 HA HIS A 49 4.895 24.684 -5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.370 26.624 -5.390 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.004 25.540 -5.562 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.152 25.143 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.900 25.479 -3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.191 24.735 -0.839 1.00 0.00 H new ATOM 754 N ALA A 50 4.341 22.216 -5.805 1.00 0.00 N ATOM 755 CA ALA A 50 4.067 20.774 -6.023 1.00 0.00 C ATOM 756 C ALA A 50 3.250 20.085 -4.899 1.00 0.00 C ATOM 757 O ALA A 50 3.792 19.617 -3.895 1.00 0.00 O ATOM 758 CB ALA A 50 5.443 20.145 -6.283 1.00 0.00 C ATOM 0 H ALA A 50 5.281 22.413 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 50 3.397 20.632 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.327 19.075 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.894 20.607 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.086 20.306 -5.418 1.00 0.00 H new ATOM 764 N GLN A 51 1.933 19.964 -5.093 1.00 0.00 N ATOM 765 CA GLN A 51 0.969 19.756 -3.969 1.00 0.00 C ATOM 766 C GLN A 51 0.520 18.267 -3.771 1.00 0.00 C ATOM 767 O GLN A 51 1.172 17.330 -4.243 1.00 0.00 O ATOM 768 CB GLN A 51 -0.182 20.781 -4.210 1.00 0.00 C ATOM 769 CG GLN A 51 0.212 22.226 -3.817 1.00 0.00 C ATOM 770 CD GLN A 51 -0.692 23.299 -4.399 1.00 0.00 C ATOM 771 OE1 GLN A 51 -1.606 23.798 -3.749 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.457 23.716 -5.618 1.00 0.00 N ATOM 0 H GLN A 51 1.494 20.004 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 51 1.439 19.946 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.467 20.760 -5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.058 20.479 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.203 22.310 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.235 22.413 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.302 23.303 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.033 24.453 -6.025 1.00 0.00 H new ATOM 781 N ARG A 52 -0.551 18.063 -2.978 1.00 0.00 N ATOM 782 CA ARG A 52 -1.027 16.733 -2.519 1.00 0.00 C ATOM 783 C ARG A 52 -1.394 15.689 -3.618 1.00 0.00 C ATOM 784 O ARG A 52 -1.952 16.029 -4.666 1.00 0.00 O ATOM 785 CB ARG A 52 -2.202 16.965 -1.508 1.00 0.00 C ATOM 786 CG ARG A 52 -3.637 17.114 -2.041 1.00 0.00 C ATOM 787 CD ARG A 52 -3.921 18.286 -2.981 1.00 0.00 C ATOM 788 NE ARG A 52 -5.243 18.095 -3.640 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.435 17.529 -4.834 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.483 17.025 -5.577 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.647 17.456 -5.295 1.00 0.00 N ATOM 0 H ARG A 52 -1.124 18.831 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.172 16.252 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.199 16.132 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.970 17.864 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.900 16.193 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.307 17.199 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.915 19.222 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.136 18.359 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.068 18.423 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.516 17.049 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.708 16.608 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.424 17.826 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.822 17.029 -6.204 1.00 0.00 H new ATOM 805 N TRP A 53 -1.174 14.410 -3.295 1.00 0.00 N ATOM 806 CA TRP A 53 -1.761 13.264 -4.055 1.00 0.00 C ATOM 807 C TRP A 53 -3.066 12.852 -3.333 1.00 0.00 C ATOM 808 O TRP A 53 -3.014 12.070 -2.388 1.00 0.00 O ATOM 809 CB TRP A 53 -0.639 12.210 -4.126 1.00 0.00 C ATOM 810 CG TRP A 53 -0.927 10.719 -4.486 1.00 0.00 C ATOM 811 CD1 TRP A 53 -2.057 10.145 -5.134 1.00 0.00 C ATOM 812 CD2 TRP A 53 -0.130 9.615 -4.148 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.992 8.744 -5.178 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.810 8.434 -4.547 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.128 9.513 -3.471 1.00 0.00 C ATOM 816 CZ2 TRP A 53 -0.259 7.154 -4.241 1.00 0.00 C ATOM 817 CZ3 TRP A 53 1.635 8.253 -3.175 1.00 0.00 C ATOM 818 CH2 TRP A 53 0.950 7.086 -3.558 1.00 0.00 C ATOM 0 H TRP A 53 -0.591 14.125 -2.508 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.067 13.467 -5.081 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.089 12.574 -4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.146 12.209 -3.154 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.872 10.722 -5.545 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.669 8.100 -5.586 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.675 10.402 -3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.773 6.251 -4.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.571 8.169 -2.642 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.370 6.121 -3.317 1.00 0.00 H new ATOM 829 N ASP A 54 -4.212 13.397 -3.773 1.00 0.00 N ATOM 830 CA ASP A 54 -5.558 12.991 -3.277 1.00 0.00 C ATOM 831 C ASP A 54 -6.349 12.282 -4.422 1.00 0.00 C ATOM 832 O ASP A 54 -7.227 12.884 -5.050 1.00 0.00 O ATOM 833 CB ASP A 54 -6.257 14.271 -2.756 1.00 0.00 C ATOM 834 CG ASP A 54 -7.642 14.021 -2.171 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.779 13.138 -1.297 1.00 0.00 O ATOM 836 OD2 ASP A 54 -8.596 14.727 -2.568 1.00 0.00 O ATOM 0 H ASP A 54 -4.243 14.131 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.497 12.270 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.629 14.732 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.342 14.986 -3.574 1.00 0.00 H new ATOM 841 N TYR A 55 -6.004 11.020 -4.728 1.00 0.00 N ATOM 842 CA TYR A 55 -6.564 10.324 -5.916 1.00 0.00 C ATOM 843 C TYR A 55 -6.736 8.804 -5.623 1.00 0.00 C ATOM 844 O TYR A 55 -5.788 8.129 -5.202 1.00 0.00 O ATOM 845 CB TYR A 55 -5.646 10.518 -7.168 1.00 0.00 C ATOM 846 CG TYR A 55 -5.536 11.977 -7.652 1.00 0.00 C ATOM 847 CD1 TYR A 55 -6.612 12.614 -8.293 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.423 12.747 -7.292 1.00 0.00 C ATOM 849 CE1 TYR A 55 -6.597 13.998 -8.503 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.419 14.128 -7.483 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.508 14.757 -8.077 1.00 0.00 C ATOM 852 OH TYR A 55 -5.524 16.115 -8.193 1.00 0.00 O ATOM 0 H TYR A 55 -5.349 10.460 -4.182 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.539 10.762 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.648 10.149 -6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.029 9.905 -7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.458 12.031 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.558 12.265 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.430 14.478 -8.995 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.567 14.712 -7.168 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.447 16.438 -8.125 1.00 0.00 H new ATOM 862 N THR A 56 -7.921 8.254 -5.948 1.00 0.00 N ATOM 863 CA THR A 56 -8.165 6.778 -5.951 1.00 0.00 C ATOM 864 C THR A 56 -7.283 6.090 -7.041 1.00 0.00 C ATOM 865 O THR A 56 -7.562 6.168 -8.240 1.00 0.00 O ATOM 866 CB THR A 56 -9.682 6.502 -6.189 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.481 7.156 -5.208 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.055 5.021 -6.116 1.00 0.00 C ATOM 0 H THR A 56 -8.737 8.805 -6.215 1.00 0.00 H new ATOM 0 HA THR A 56 -7.887 6.358 -4.985 1.00 0.00 H new ATOM 0 HB THR A 56 -9.871 6.878 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.133 6.953 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.125 4.906 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.502 4.469 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.805 4.631 -5.129 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.968 1.544 -4.013 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.127 2.328 -3.075 1.00 0.00 C ATOM 1097 C LYS A 70 -5.564 3.814 -3.069 1.00 0.00 C ATOM 1098 O LYS A 70 -4.989 4.658 -3.761 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.606 2.053 -3.288 1.00 0.00 C ATOM 1100 CG LYS A 70 -3.055 2.048 -4.723 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.682 1.347 -4.839 1.00 0.00 C ATOM 1102 CE LYS A 70 -1.333 1.112 -6.321 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.044 0.384 -6.473 1.00 0.00 N ATOM 0 HA LYS A 70 -5.295 1.988 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.051 2.802 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.379 1.085 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.768 1.549 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.963 3.076 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.912 1.958 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.704 0.396 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.131 0.543 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.273 2.070 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.548 0.869 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.453 0.363 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.230 -0.589 -6.788 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.573 4.141 -2.232 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.931 5.550 -1.919 1.00 0.00 C ATOM 1119 C ASN A 71 -5.923 6.101 -0.838 1.00 0.00 C ATOM 1120 O ASN A 71 -6.117 5.935 0.371 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.363 5.723 -1.354 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.531 5.256 -2.185 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -10.003 5.957 -3.071 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -10.085 4.099 -1.900 1.00 0.00 N ATOM 0 H ASN A 71 -7.157 3.451 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.881 6.096 -2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.407 5.200 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.510 6.782 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.907 3.786 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.693 3.514 -1.162 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.836 6.709 -1.307 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.783 7.263 -0.416 1.00 0.00 C ATOM 1133 C PHE A 72 -3.749 8.800 -0.571 1.00 0.00 C ATOM 1134 O PHE A 72 -3.075 9.327 -1.461 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.464 6.543 -0.772 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.320 6.781 0.225 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.294 6.118 1.462 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.240 7.603 -0.118 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.194 6.240 2.312 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.863 7.724 0.730 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.887 7.038 1.941 1.00 0.00 C ATOM 0 H PHE A 72 -4.648 6.838 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.974 7.086 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.655 5.472 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.142 6.870 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.134 5.507 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.260 8.150 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.180 5.717 3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.697 8.349 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.743 7.124 2.593 1.00 0.00 H new ATOM 1151 N THR A 73 -4.475 9.511 0.307 1.00 0.00 N ATOM 1152 CA THR A 73 -4.465 10.997 0.327 1.00 0.00 C ATOM 1153 C THR A 73 -3.257 11.490 1.154 1.00 0.00 C ATOM 1154 O THR A 73 -3.277 11.479 2.386 1.00 0.00 O ATOM 1155 CB THR A 73 -5.821 11.549 0.817 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.821 11.229 -0.145 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.843 13.066 0.952 1.00 0.00 C ATOM 0 H THR A 73 -5.077 9.089 1.014 1.00 0.00 H new ATOM 0 HA THR A 73 -4.341 11.386 -0.684 1.00 0.00 H new ATOM 0 HB THR A 73 -5.996 11.101 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.846 11.925 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.825 13.386 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.084 13.378 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.636 13.521 -0.017 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.213 11.930 0.460 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.929 12.325 1.097 1.00 0.00 C ATOM 1167 C VAL A 74 -0.569 13.778 0.714 1.00 0.00 C ATOM 1168 O VAL A 74 -0.564 14.174 -0.457 1.00 0.00 O ATOM 1169 CB VAL A 74 0.168 11.259 0.839 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.483 11.011 -0.634 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.494 11.581 1.555 1.00 0.00 C ATOM 0 H VAL A 74 -2.217 12.028 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.028 12.341 2.182 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.276 10.353 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.260 10.251 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.416 10.667 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.830 11.937 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.224 10.801 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.874 12.541 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.324 11.630 2.631 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.273 14.565 1.748 1.00 0.00 N ATOM 1182 CA PHE A 75 -0.114 16.028 1.633 1.00 0.00 C ATOM 1183 C PHE A 75 1.376 16.373 1.418 1.00 0.00 C ATOM 1184 O PHE A 75 2.230 16.084 2.261 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.694 16.697 2.907 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.232 16.622 2.966 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -3.026 17.574 2.307 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.863 15.541 3.601 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.417 17.450 2.293 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.249 15.415 3.583 1.00 0.00 C ATOM 1191 CZ PHE A 75 -5.025 16.374 2.938 1.00 0.00 C ATOM 0 H PHE A 75 -0.135 14.212 2.695 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.662 16.410 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.276 16.213 3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.383 17.741 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.557 18.409 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.266 14.798 4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.021 18.186 1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.722 14.574 4.069 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.101 16.284 2.937 1.00 0.00 H new ATOM 1201 N PHE A 76 1.662 16.973 0.264 1.00 0.00 N ATOM 1202 CA PHE A 76 3.028 17.399 -0.108 1.00 0.00 C ATOM 1203 C PHE A 76 3.076 18.954 -0.150 1.00 0.00 C ATOM 1204 O PHE A 76 2.149 19.600 -0.655 1.00 0.00 O ATOM 1205 CB PHE A 76 3.450 16.811 -1.477 1.00 0.00 C ATOM 1206 CG PHE A 76 3.415 15.273 -1.607 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.141 14.444 -0.735 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.657 14.670 -2.618 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.082 13.054 -0.853 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.644 13.284 -2.774 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.350 12.478 -1.886 1.00 0.00 C ATOM 0 H PHE A 76 0.960 17.182 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 76 3.730 17.024 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.801 17.233 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.463 17.149 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.753 14.888 0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.074 15.287 -3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.603 12.428 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.086 12.837 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.330 11.404 -1.999 1.00 0.00 H new ATOM 1221 N GLU A 77 4.155 19.538 0.382 1.00 0.00 N ATOM 1222 CA GLU A 77 4.345 21.022 0.361 1.00 0.00 C ATOM 1223 C GLU A 77 4.946 21.447 -1.005 1.00 0.00 C ATOM 1224 O GLU A 77 4.212 21.952 -1.857 1.00 0.00 O ATOM 1225 CB GLU A 77 5.107 21.369 1.655 1.00 0.00 C ATOM 1226 CG GLU A 77 5.295 22.854 1.991 1.00 0.00 C ATOM 1227 CD GLU A 77 6.334 23.618 1.197 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.431 23.079 0.922 1.00 0.00 O ATOM 1229 OE2 GLU A 77 6.055 24.779 0.837 1.00 0.00 O ATOM 0 H GLU A 77 4.913 19.025 0.832 1.00 0.00 H new ATOM 0 HA GLU A 77 3.433 21.618 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.585 20.899 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.094 20.910 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.335 23.354 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.553 22.931 3.047 1.00 0.00 H new ATOM 1236 N ASN A 78 6.231 21.152 -1.238 1.00 0.00 N ATOM 1237 CA ASN A 78 6.835 21.171 -2.594 1.00 0.00 C ATOM 1238 C ASN A 78 7.267 19.706 -2.913 1.00 0.00 C ATOM 1239 O ASN A 78 6.400 18.889 -3.230 1.00 0.00 O ATOM 1240 CB ASN A 78 7.934 22.249 -2.688 1.00 0.00 C ATOM 1241 CG ASN A 78 7.402 23.672 -2.789 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.834 24.081 -3.798 1.00 0.00 O ATOM 1243 ND2 ASN A 78 7.561 24.477 -1.767 1.00 0.00 N ATOM 0 H ASN A 78 6.887 20.893 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 78 6.135 21.475 -3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.577 22.174 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.557 22.043 -3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.214 25.435 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.032 24.145 -0.925 1.00 0.00 H new ATOM 1250 N GLU A 79 8.542 19.329 -2.794 1.00 0.00 N ATOM 1251 CA GLU A 79 8.974 17.900 -2.807 1.00 0.00 C ATOM 1252 C GLU A 79 8.671 17.047 -1.526 1.00 0.00 C ATOM 1253 O GLU A 79 8.732 15.817 -1.588 1.00 0.00 O ATOM 1254 CB GLU A 79 10.468 17.886 -3.220 1.00 0.00 C ATOM 1255 CG GLU A 79 11.556 18.219 -2.191 1.00 0.00 C ATOM 1256 CD GLU A 79 11.452 19.458 -1.324 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.884 20.487 -1.754 1.00 0.00 O ATOM 1258 OE2 GLU A 79 11.951 19.396 -0.180 1.00 0.00 O ATOM 0 H GLU A 79 9.312 19.989 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 79 8.350 17.376 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.686 16.892 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.581 18.586 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.634 17.364 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.499 18.286 -2.733 1.00 0.00 H new ATOM 1265 N GLN A 80 8.353 17.703 -0.401 1.00 0.00 N ATOM 1266 CA GLN A 80 8.425 17.122 0.957 1.00 0.00 C ATOM 1267 C GLN A 80 7.055 16.667 1.517 1.00 0.00 C ATOM 1268 O GLN A 80 6.018 17.285 1.258 1.00 0.00 O ATOM 1269 CB GLN A 80 9.164 18.143 1.868 1.00 0.00 C ATOM 1270 CG GLN A 80 8.487 19.507 2.119 1.00 0.00 C ATOM 1271 CD GLN A 80 9.328 20.482 2.941 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.112 20.119 3.814 1.00 0.00 O ATOM 1273 NE2 GLN A 80 9.183 21.768 2.731 1.00 0.00 N ATOM 0 H GLN A 80 8.032 18.671 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 80 8.990 16.191 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.331 17.669 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.145 18.331 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.254 19.966 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.539 19.341 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.539 22.098 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.714 22.439 3.286 1.00 0.00 H new ATOM 1282 N VAL A 81 7.064 15.574 2.289 1.00 0.00 N ATOM 1283 CA VAL A 81 5.836 14.900 2.778 1.00 0.00 C ATOM 1284 C VAL A 81 5.417 15.450 4.183 1.00 0.00 C ATOM 1285 O VAL A 81 6.196 15.406 5.139 1.00 0.00 O ATOM 1286 CB VAL A 81 6.033 13.341 2.847 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.670 12.630 2.960 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.806 12.703 1.675 1.00 0.00 C ATOM 0 H VAL A 81 7.925 15.123 2.599 1.00 0.00 H new ATOM 0 HA VAL A 81 5.039 15.116 2.067 1.00 0.00 H new ATOM 0 HB VAL A 81 6.650 13.200 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.825 11.552 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.160 12.963 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.060 12.872 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.880 11.627 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.279 12.899 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.807 13.131 1.623 1.00 0.00 H new ATOM 1298 N VAL A 82 4.163 15.906 4.296 1.00 0.00 N ATOM 1299 CA VAL A 82 3.586 16.399 5.580 1.00 0.00 C ATOM 1300 C VAL A 82 2.917 15.204 6.339 1.00 0.00 C ATOM 1301 O VAL A 82 3.453 14.786 7.366 1.00 0.00 O ATOM 1302 CB VAL A 82 2.647 17.629 5.332 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.062 18.201 6.643 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.361 18.804 4.617 1.00 0.00 C ATOM 0 H VAL A 82 3.512 15.949 3.512 1.00 0.00 H new ATOM 0 HA VAL A 82 4.370 16.778 6.235 1.00 0.00 H new ATOM 0 HB VAL A 82 1.855 17.230 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.419 19.051 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.479 17.431 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.875 18.525 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.658 19.624 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.198 19.145 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.730 18.470 3.647 1.00 0.00 H new ATOM 1314 N ARG A 83 1.780 14.659 5.853 1.00 0.00 N ATOM 1315 CA ARG A 83 1.151 13.441 6.447 1.00 0.00 C ATOM 1316 C ARG A 83 0.223 12.684 5.443 1.00 0.00 C ATOM 1317 O ARG A 83 -0.247 13.252 4.450 1.00 0.00 O ATOM 1318 CB ARG A 83 0.493 13.709 7.826 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.674 14.693 7.956 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.042 14.327 7.367 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.569 13.045 7.897 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.846 12.688 7.940 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.853 13.480 7.675 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.135 11.460 8.247 1.00 0.00 N ATOM 0 H ARG A 83 1.274 15.037 5.052 1.00 0.00 H new ATOM 0 HA ARG A 83 1.969 12.751 6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.147 12.749 8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.280 14.055 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.818 14.889 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.362 15.631 7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.752 15.125 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.960 14.261 6.282 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.888 12.378 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.683 14.451 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.808 13.127 7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.388 10.795 8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.109 11.160 8.287 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.043 11.397 5.729 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.883 10.517 4.874 1.00 0.00 C ATOM 1340 C TRP A 84 -2.218 10.053 5.545 1.00 0.00 C ATOM 1341 O TRP A 84 -2.282 9.757 6.742 1.00 0.00 O ATOM 1342 CB TRP A 84 -0.075 9.347 4.280 1.00 0.00 C ATOM 1343 CG TRP A 84 0.860 8.485 5.169 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.580 7.212 5.738 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.221 8.698 5.426 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.716 6.646 6.347 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.715 7.576 6.144 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.114 9.758 5.053 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.094 7.511 6.503 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.451 9.673 5.428 1.00 0.00 C ATOM 1351 CH2 TRP A 84 4.935 8.564 6.148 1.00 0.00 C ATOM 0 H TRP A 84 0.317 10.929 6.561 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.201 11.143 4.040 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.791 8.667 3.818 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.538 9.758 3.478 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.389 6.736 5.707 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.785 5.750 6.830 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.754 10.607 4.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.481 6.659 7.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.129 10.471 5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.977 8.529 6.430 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.273 10.012 4.719 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.660 9.657 5.114 1.00 0.00 C ATOM 1364 C GLU A 85 -5.175 8.530 4.163 1.00 0.00 C ATOM 1365 O GLU A 85 -5.460 8.758 2.981 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.496 10.956 4.992 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.963 10.903 5.439 1.00 0.00 C ATOM 1368 CD GLU A 85 -7.256 10.587 6.886 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.813 11.342 7.785 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -7.977 9.603 7.160 1.00 0.00 O ATOM 0 H GLU A 85 -3.191 10.230 3.726 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.729 9.277 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.996 11.732 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.474 11.273 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.416 11.868 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.471 10.159 4.826 1.00 0.00 H new ATOM 1377 N GLY A 86 -5.279 7.305 4.686 1.00 0.00 N ATOM 1378 CA GLY A 86 -5.658 6.129 3.875 1.00 0.00 C ATOM 1379 C GLY A 86 -7.154 5.781 3.901 1.00 0.00 C ATOM 1380 O GLY A 86 -7.777 5.731 4.965 1.00 0.00 O ATOM 0 H GLY A 86 -5.107 7.095 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.359 6.307 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.093 5.266 4.227 1.00 0.00 H new ATOM 1384 N ASP A 87 -7.703 5.448 2.731 1.00 0.00 N ATOM 1385 CA ASP A 87 -8.800 4.437 2.633 1.00 0.00 C ATOM 1386 C ASP A 87 -8.347 3.282 1.679 1.00 0.00 C ATOM 1387 O ASP A 87 -8.851 3.102 0.566 1.00 0.00 O ATOM 1388 CB ASP A 87 -10.109 5.134 2.229 1.00 0.00 C ATOM 1389 CG ASP A 87 -11.327 4.214 2.198 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -11.452 3.331 3.078 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -12.157 4.346 1.277 1.00 0.00 O ATOM 0 H ASP A 87 -7.421 5.850 1.837 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.005 3.969 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.302 5.950 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.980 5.580 1.243 1.00 0.00 H new ATOM 1396 N TYR A 88 -7.375 2.493 2.146 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.645 1.530 1.286 1.00 0.00 C ATOM 1398 C TYR A 88 -6.894 0.047 1.663 1.00 0.00 C ATOM 1399 O TYR A 88 -7.619 -0.274 2.615 1.00 0.00 O ATOM 1400 CB TYR A 88 -5.193 2.027 1.159 1.00 0.00 C ATOM 1401 CG TYR A 88 -4.215 2.072 2.345 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -4.360 1.375 3.566 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -3.054 2.823 2.151 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -3.355 1.428 4.542 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -2.050 2.866 3.120 1.00 0.00 C ATOM 1406 CZ TYR A 88 -2.196 2.167 4.312 1.00 0.00 C ATOM 1407 OH TYR A 88 -1.183 2.208 5.227 1.00 0.00 O ATOM 0 H TYR A 88 -7.067 2.496 3.118 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.042 1.509 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.722 1.412 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.247 3.042 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.253 0.796 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.930 3.381 1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.479 0.895 5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.156 3.445 2.942 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.091 1.330 5.652 1.00 0.00 H new ATOM 1667 N GLY A 105 -6.790 -9.401 -6.641 1.00 0.00 N ATOM 1668 CA GLY A 105 -6.902 -7.936 -6.454 1.00 0.00 C ATOM 1669 C GLY A 105 -8.355 -7.511 -6.188 1.00 0.00 C ATOM 1670 O GLY A 105 -9.119 -7.262 -7.124 1.00 0.00 O ATOM 0 HA2 GLY A 105 -6.273 -7.626 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.529 -7.425 -7.342 1.00 0.00 H new ATOM 1674 N ARG A 106 -8.728 -7.493 -4.903 1.00 0.00 N ATOM 1675 CA ARG A 106 -10.151 -7.565 -4.470 1.00 0.00 C ATOM 1676 C ARG A 106 -10.851 -6.172 -4.438 1.00 0.00 C ATOM 1677 O ARG A 106 -10.904 -5.494 -3.407 1.00 0.00 O ATOM 1678 CB ARG A 106 -10.163 -8.265 -3.077 1.00 0.00 C ATOM 1679 CG ARG A 106 -9.963 -9.799 -3.128 1.00 0.00 C ATOM 1680 CD ARG A 106 -9.187 -10.378 -1.928 1.00 0.00 C ATOM 1681 NE ARG A 106 -7.733 -10.209 -2.151 1.00 0.00 N ATOM 1682 CZ ARG A 106 -6.763 -10.652 -1.364 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -6.941 -11.270 -0.227 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -5.541 -10.472 -1.751 1.00 0.00 N ATOM 0 H ARG A 106 -8.066 -7.429 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.731 -8.137 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.378 -7.829 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -11.112 -8.051 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.940 -10.279 -3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.433 -10.054 -4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.486 -9.872 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.426 -11.434 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.451 -9.703 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.886 -11.444 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.135 -11.578 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.350 -10.002 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.769 -10.800 -1.171 1.00 0.00 H new ATOM 1698 N ASN A 107 -11.397 -5.766 -5.596 1.00 0.00 N ATOM 1699 CA ASN A 107 -12.027 -4.431 -5.769 1.00 0.00 C ATOM 1700 C ASN A 107 -13.506 -4.367 -5.280 1.00 0.00 C ATOM 1701 O ASN A 107 -14.445 -4.618 -6.040 1.00 0.00 O ATOM 1702 CB ASN A 107 -11.797 -3.875 -7.198 1.00 0.00 C ATOM 1703 CG ASN A 107 -12.036 -4.725 -8.434 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -11.137 -4.944 -9.243 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -13.238 -5.197 -8.654 1.00 0.00 N ATOM 0 H ASN A 107 -11.418 -6.343 -6.437 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.511 -3.747 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.425 -2.990 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.762 -3.537 -7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.425 -5.744 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -13.987 -5.017 -7.985 1.00 0.00 H new ATOM 1712 N LEU A 108 -13.678 -3.998 -4.003 1.00 0.00 N ATOM 1713 CA LEU A 108 -15.003 -3.840 -3.350 1.00 0.00 C ATOM 1714 C LEU A 108 -15.149 -2.353 -2.919 1.00 0.00 C ATOM 1715 O LEU A 108 -14.508 -1.901 -1.966 1.00 0.00 O ATOM 1716 CB LEU A 108 -15.058 -4.851 -2.175 1.00 0.00 C ATOM 1717 CG LEU A 108 -16.453 -5.133 -1.570 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -16.374 -6.405 -0.697 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -16.999 -3.995 -0.701 1.00 0.00 C ATOM 0 H LEU A 108 -12.897 -3.796 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.845 -4.059 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.638 -5.796 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.409 -4.485 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 108 -17.133 -5.249 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -17.354 -6.612 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -16.062 -7.249 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.650 -6.252 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -17.980 -4.271 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -16.319 -3.814 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -17.087 -3.089 -1.301 1.00 0.00 H new ATOM 1731 N ALA A 109 -15.998 -1.606 -3.637 1.00 0.00 N ATOM 1732 CA ALA A 109 -16.162 -0.150 -3.464 1.00 0.00 C ATOM 1733 C ALA A 109 -16.625 0.341 -2.060 1.00 0.00 C ATOM 1734 O ALA A 109 -17.387 -0.306 -1.337 1.00 0.00 O ATOM 1735 CB ALA A 109 -17.159 0.291 -4.554 1.00 0.00 C ATOM 0 H ALA A 109 -16.598 -1.997 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.176 0.306 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.326 1.366 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -16.753 0.052 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -18.105 -0.233 -4.416 1.00 0.00 H new ATOM 1741 N ARG A 110 -16.101 1.515 -1.724 1.00 0.00 N ATOM 1742 CA ARG A 110 -16.272 2.158 -0.405 1.00 0.00 C ATOM 1743 C ARG A 110 -16.728 3.659 -0.549 1.00 0.00 C ATOM 1744 O ARG A 110 -16.328 4.368 -1.478 1.00 0.00 O ATOM 1745 CB ARG A 110 -14.912 2.187 0.355 1.00 0.00 C ATOM 1746 CG ARG A 110 -14.288 0.828 0.733 1.00 0.00 C ATOM 1747 CD ARG A 110 -13.003 1.094 1.535 1.00 0.00 C ATOM 1748 NE ARG A 110 -12.241 -0.148 1.786 1.00 0.00 N ATOM 1749 CZ ARG A 110 -11.020 -0.176 2.311 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -10.419 0.855 2.848 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -10.363 -1.296 2.288 1.00 0.00 N ATOM 0 H ARG A 110 -15.532 2.066 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 110 -17.025 1.580 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -14.193 2.730 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -15.049 2.763 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -14.990 0.239 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -14.063 0.251 -0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -12.376 1.801 0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -13.259 1.561 2.486 1.00 0.00 H new ATOM 0 HE ARG A 110 -12.678 -1.037 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.891 1.759 2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.479 0.755 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.786 -2.127 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.424 -1.345 2.684 1.00 0.00 H new ATOM 1765 N ASP A 111 -17.447 4.144 0.473 1.00 0.00 N ATOM 1766 CA ASP A 111 -17.283 5.549 0.945 1.00 0.00 C ATOM 1767 C ASP A 111 -16.456 5.562 2.286 1.00 0.00 C ATOM 1768 O ASP A 111 -16.352 4.576 3.024 1.00 0.00 O ATOM 1769 CB ASP A 111 -18.666 6.215 1.090 1.00 0.00 C ATOM 1770 CG ASP A 111 -18.638 7.744 1.113 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -18.186 8.334 2.117 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -19.074 8.385 0.135 1.00 0.00 O ATOM 0 H ASP A 111 -18.141 3.603 0.990 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.723 6.132 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -19.300 5.889 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -19.131 5.859 2.009 1.00 0.00 H new ATOM 1777 N LYS A 112 -15.878 6.735 2.550 1.00 0.00 N ATOM 1778 CA LYS A 112 -15.078 7.001 3.781 1.00 0.00 C ATOM 1779 C LYS A 112 -15.014 8.542 3.938 1.00 0.00 C ATOM 1780 O LYS A 112 -14.110 9.200 3.410 1.00 0.00 O ATOM 1781 CB LYS A 112 -13.698 6.314 3.673 1.00 0.00 C ATOM 1782 CG LYS A 112 -12.793 6.334 4.924 1.00 0.00 C ATOM 1783 CD LYS A 112 -11.778 7.490 4.946 1.00 0.00 C ATOM 1784 CE LYS A 112 -10.699 7.315 6.035 1.00 0.00 C ATOM 1785 NZ LYS A 112 -9.429 7.970 5.616 1.00 0.00 N ATOM 0 H LYS A 112 -15.942 7.539 1.925 1.00 0.00 H new ATOM 0 HA LYS A 112 -15.529 6.581 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -13.861 5.273 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -13.152 6.783 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -13.421 6.399 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.253 5.389 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.296 7.563 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.306 8.429 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.046 7.747 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.526 6.254 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.737 7.243 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.612 8.595 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.050 8.530 6.406 1.00 0.00 H new