USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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 33 GLN : amide:sc= 1.14 K(o=2.3,f=-1.9!) USER MOD Set 1.2: A 43 SER OG : rot -139:sc= 1.12 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 169:sc= 1.42 (180deg=1.13) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.0218 K(o=1.4,f=-1.6) USER MOD Set 3.1: A 20 GLN : amide:sc= 1.89 K(o=3.1,f=-3.8!) USER MOD Set 3.2: A 88 TYR OH : rot -62:sc= 1.24 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.872 K(o=0.87,f=0) 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= -0.0286 X(o=-0.029,f=-0.13) USER MOD Single : A 31 SER OG : rot 73:sc= 0.653 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 96:sc= 1.23 USER MOD Single : A 41 THR OG1 : rot -6:sc= 0.88 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0.922 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 2.06 (180deg=1.98) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -90:sc= 1.06 USER MOD Single : A 80 GLN : amide:sc= 1.22 K(o=1.2,f=-0.011) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 2.533 -2.428 -0.321 1.00 0.00 N ATOM 265 CA ILE A 18 1.287 -1.933 0.349 1.00 0.00 C ATOM 266 C ILE A 18 1.012 -2.848 1.576 1.00 0.00 C ATOM 267 O ILE A 18 0.425 -3.927 1.455 1.00 0.00 O ATOM 268 CB ILE A 18 0.144 -1.860 -0.717 1.00 0.00 C ATOM 269 CG1 ILE A 18 0.397 -0.725 -1.760 1.00 0.00 C ATOM 270 CG2 ILE A 18 -1.282 -1.733 -0.147 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.207 0.713 -1.284 1.00 0.00 C ATOM 0 HA ILE A 18 1.375 -0.921 0.743 1.00 0.00 H new ATOM 0 HB ILE A 18 0.186 -2.833 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.417 -0.827 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.267 -0.891 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.999 -1.690 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.501 -2.596 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.356 -0.823 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.414 1.399 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.820 0.852 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.891 0.917 -0.460 1.00 0.00 H new ATOM 283 N LYS A 19 1.469 -2.402 2.753 1.00 0.00 N ATOM 284 CA LYS A 19 1.270 -3.125 4.032 1.00 0.00 C ATOM 285 C LYS A 19 1.119 -2.045 5.153 1.00 0.00 C ATOM 286 O LYS A 19 2.075 -1.311 5.419 1.00 0.00 O ATOM 287 CB LYS A 19 2.442 -4.070 4.408 1.00 0.00 C ATOM 288 CG LYS A 19 2.892 -5.066 3.334 1.00 0.00 C ATOM 289 CD LYS A 19 3.782 -6.194 3.874 1.00 0.00 C ATOM 290 CE LYS A 19 5.197 -5.754 4.262 1.00 0.00 C ATOM 291 NZ LYS A 19 6.045 -6.967 4.408 1.00 0.00 N ATOM 0 H LYS A 19 1.988 -1.530 2.854 1.00 0.00 H new ATOM 0 HA LYS A 19 0.389 -3.758 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.299 -3.456 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.154 -4.633 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.011 -5.503 2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.434 -4.528 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.300 -6.634 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.852 -6.977 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.610 -5.092 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.176 -5.192 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.011 -6.686 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.649 -7.581 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.069 -7.484 3.506 1.00 0.00 H new ATOM 305 N GLN A 20 -0.052 -1.957 5.801 1.00 0.00 N ATOM 306 CA GLN A 20 -0.396 -0.795 6.681 1.00 0.00 C ATOM 307 C GLN A 20 0.627 -0.402 7.793 1.00 0.00 C ATOM 308 O GLN A 20 0.997 0.769 7.860 1.00 0.00 O ATOM 309 CB GLN A 20 -1.827 -1.020 7.233 1.00 0.00 C ATOM 310 CG GLN A 20 -2.517 0.234 7.822 1.00 0.00 C ATOM 311 CD GLN A 20 -2.994 1.241 6.782 1.00 0.00 C ATOM 312 OE1 GLN A 20 -2.209 1.945 6.154 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.278 1.319 6.533 1.00 0.00 N ATOM 0 H GLN A 20 -0.784 -2.665 5.743 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.346 0.089 6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.450 -1.413 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.783 -1.787 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.371 -0.084 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.822 0.731 8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.935 0.736 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.621 1.963 5.820 1.00 0.00 H new ATOM 322 N ASN A 21 1.115 -1.359 8.601 1.00 0.00 N ATOM 323 CA ASN A 21 2.185 -1.087 9.606 1.00 0.00 C ATOM 324 C ASN A 21 3.600 -0.774 9.020 1.00 0.00 C ATOM 325 O ASN A 21 4.276 0.088 9.578 1.00 0.00 O ATOM 326 CB ASN A 21 2.166 -2.237 10.634 1.00 0.00 C ATOM 327 CG ASN A 21 3.097 -2.106 11.835 1.00 0.00 C ATOM 328 OD1 ASN A 21 4.022 -2.892 12.004 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.906 -1.155 12.719 1.00 0.00 N ATOM 0 H ASN A 21 0.794 -2.327 8.587 1.00 0.00 H new ATOM 0 HA ASN A 21 1.956 -0.143 10.101 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.147 -2.343 11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.413 -3.162 10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.522 -1.080 13.529 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.142 -0.491 12.596 1.00 0.00 H new ATOM 336 N ALA A 22 4.044 -1.406 7.916 1.00 0.00 N ATOM 337 CA ALA A 22 5.263 -0.948 7.190 1.00 0.00 C ATOM 338 C ALA A 22 5.165 0.451 6.494 1.00 0.00 C ATOM 339 O ALA A 22 6.125 1.219 6.560 1.00 0.00 O ATOM 340 CB ALA A 22 5.666 -2.039 6.187 1.00 0.00 C ATOM 0 H ALA A 22 3.591 -2.223 7.506 1.00 0.00 H new ATOM 0 HA ALA A 22 6.030 -0.794 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.557 -1.723 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.876 -2.965 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.851 -2.204 5.482 1.00 0.00 H new ATOM 346 N VAL A 23 4.022 0.789 5.877 1.00 0.00 N ATOM 347 CA VAL A 23 3.744 2.164 5.356 1.00 0.00 C ATOM 348 C VAL A 23 3.599 3.253 6.481 1.00 0.00 C ATOM 349 O VAL A 23 4.117 4.354 6.317 1.00 0.00 O ATOM 350 CB VAL A 23 2.532 2.138 4.372 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.230 3.524 3.756 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.740 1.165 3.185 1.00 0.00 C ATOM 0 H VAL A 23 3.259 0.131 5.719 1.00 0.00 H new ATOM 0 HA VAL A 23 4.625 2.478 4.797 1.00 0.00 H new ATOM 0 HB VAL A 23 1.700 1.807 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.378 3.444 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.998 4.233 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.101 3.873 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.865 1.191 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.621 1.466 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.881 0.153 3.565 1.00 0.00 H new ATOM 362 N GLU A 24 2.958 2.950 7.612 1.00 0.00 N ATOM 363 CA GLU A 24 3.114 3.724 8.884 1.00 0.00 C ATOM 364 C GLU A 24 4.588 3.898 9.390 1.00 0.00 C ATOM 365 O GLU A 24 5.009 5.020 9.679 1.00 0.00 O ATOM 366 CB GLU A 24 2.189 2.973 9.871 1.00 0.00 C ATOM 367 CG GLU A 24 2.124 3.445 11.330 1.00 0.00 C ATOM 368 CD GLU A 24 1.284 2.501 12.194 1.00 0.00 C ATOM 369 OE1 GLU A 24 1.624 1.299 12.296 1.00 0.00 O ATOM 370 OE2 GLU A 24 0.287 2.964 12.784 1.00 0.00 O ATOM 0 H GLU A 24 2.312 2.164 7.690 1.00 0.00 H new ATOM 0 HA GLU A 24 2.835 4.770 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.177 3.009 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.493 1.926 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.133 3.509 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.700 4.448 11.369 1.00 0.00 H new ATOM 377 N GLN A 25 5.354 2.801 9.469 1.00 0.00 N ATOM 378 CA GLN A 25 6.756 2.805 9.961 1.00 0.00 C ATOM 379 C GLN A 25 7.837 3.431 9.027 1.00 0.00 C ATOM 380 O GLN A 25 8.841 3.908 9.561 1.00 0.00 O ATOM 381 CB GLN A 25 7.074 1.330 10.329 1.00 0.00 C ATOM 382 CG GLN A 25 8.374 1.102 11.125 1.00 0.00 C ATOM 383 CD GLN A 25 8.609 -0.368 11.457 1.00 0.00 C ATOM 384 OE1 GLN A 25 9.269 -1.101 10.729 1.00 0.00 O ATOM 385 NE2 GLN A 25 8.083 -0.855 12.556 1.00 0.00 N ATOM 0 H GLN A 25 5.025 1.876 9.194 1.00 0.00 H new ATOM 0 HA GLN A 25 6.812 3.482 10.813 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.241 0.932 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.128 0.749 9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.219 1.480 10.550 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.335 1.678 12.050 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.532 -0.253 13.168 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.225 -1.836 12.798 1.00 0.00 H new ATOM 394 N LEU A 26 7.669 3.443 7.688 1.00 0.00 N ATOM 395 CA LEU A 26 8.710 3.950 6.743 1.00 0.00 C ATOM 396 C LEU A 26 9.305 5.376 6.942 1.00 0.00 C ATOM 397 O LEU A 26 10.467 5.579 6.584 1.00 0.00 O ATOM 398 CB LEU A 26 8.334 3.634 5.270 1.00 0.00 C ATOM 399 CG LEU A 26 7.060 4.226 4.645 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.111 5.716 4.311 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.737 3.471 3.336 1.00 0.00 C ATOM 0 H LEU A 26 6.823 3.108 7.227 1.00 0.00 H new ATOM 0 HA LEU A 26 9.582 3.366 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.173 3.949 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.262 2.550 5.182 1.00 0.00 H new ATOM 0 HG LEU A 26 6.298 4.107 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.160 6.024 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.296 6.287 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.913 5.902 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.834 3.887 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.569 3.578 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.580 2.415 3.554 1.00 0.00 H new ATOM 413 N GLN A 27 8.540 6.326 7.516 1.00 0.00 N ATOM 414 CA GLN A 27 9.056 7.658 7.967 1.00 0.00 C ATOM 415 C GLN A 27 9.876 8.495 6.928 1.00 0.00 C ATOM 416 O GLN A 27 10.938 9.045 7.228 1.00 0.00 O ATOM 417 CB GLN A 27 9.723 7.461 9.355 1.00 0.00 C ATOM 418 CG GLN A 27 9.846 8.746 10.198 1.00 0.00 C ATOM 419 CD GLN A 27 10.448 8.507 11.577 1.00 0.00 C ATOM 420 OE1 GLN A 27 11.649 8.617 11.792 1.00 0.00 O ATOM 421 NE2 GLN A 27 9.645 8.185 12.564 1.00 0.00 N ATOM 0 H GLN A 27 7.542 6.202 7.686 1.00 0.00 H new ATOM 0 HA GLN A 27 8.205 8.332 8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.148 6.727 9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.719 7.042 9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.462 9.467 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.858 9.193 10.313 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.643 8.091 12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.023 8.029 13.499 1.00 0.00 H new ATOM 430 N VAL A 28 9.338 8.614 5.707 1.00 0.00 N ATOM 431 CA VAL A 28 9.978 9.387 4.604 1.00 0.00 C ATOM 432 C VAL A 28 9.403 10.838 4.624 1.00 0.00 C ATOM 433 O VAL A 28 8.187 11.019 4.558 1.00 0.00 O ATOM 434 CB VAL A 28 9.744 8.660 3.234 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.245 9.468 2.013 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.460 7.287 3.169 1.00 0.00 C ATOM 0 H VAL A 28 8.451 8.184 5.444 1.00 0.00 H new ATOM 0 HA VAL A 28 11.058 9.447 4.742 1.00 0.00 H new ATOM 0 HB VAL A 28 8.661 8.544 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.051 8.905 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.721 10.423 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.316 9.646 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.268 6.822 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.533 7.430 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.083 6.642 3.963 1.00 0.00 H new ATOM 446 N GLY A 29 10.287 11.845 4.669 1.00 0.00 N ATOM 447 CA GLY A 29 9.895 13.273 4.557 1.00 0.00 C ATOM 448 C GLY A 29 10.723 14.069 3.530 1.00 0.00 C ATOM 449 O GLY A 29 11.359 15.057 3.893 1.00 0.00 O ATOM 0 H GLY A 29 11.291 11.703 4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.842 13.330 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.996 13.745 5.534 1.00 0.00 H new ATOM 453 N GLN A 30 10.708 13.627 2.261 1.00 0.00 N ATOM 454 CA GLN A 30 11.674 14.107 1.229 1.00 0.00 C ATOM 455 C GLN A 30 11.022 14.376 -0.159 1.00 0.00 C ATOM 456 O GLN A 30 11.229 15.467 -0.693 1.00 0.00 O ATOM 457 CB GLN A 30 12.853 13.097 1.183 1.00 0.00 C ATOM 458 CG GLN A 30 14.128 13.553 0.448 1.00 0.00 C ATOM 459 CD GLN A 30 14.110 13.443 -1.069 1.00 0.00 C ATOM 460 OE1 GLN A 30 14.006 12.363 -1.641 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.220 14.538 -1.783 1.00 0.00 N ATOM 0 H GLN A 30 10.041 12.937 1.914 1.00 0.00 H new ATOM 0 HA GLN A 30 12.051 15.090 1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.124 12.843 2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.498 12.181 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.322 14.592 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.967 12.967 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.307 15.442 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.218 14.485 -2.802 1.00 0.00 H new ATOM 470 N SER A 31 10.311 13.404 -0.761 1.00 0.00 N ATOM 471 CA SER A 31 9.791 13.525 -2.150 1.00 0.00 C ATOM 472 C SER A 31 8.474 12.729 -2.354 1.00 0.00 C ATOM 473 O SER A 31 8.317 11.607 -1.855 1.00 0.00 O ATOM 474 CB SER A 31 10.878 13.047 -3.151 1.00 0.00 C ATOM 475 OG SER A 31 10.412 13.025 -4.504 1.00 0.00 O ATOM 0 H SER A 31 10.079 12.519 -0.310 1.00 0.00 H new ATOM 0 HA SER A 31 9.557 14.574 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.745 13.704 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.211 12.048 -2.870 1.00 0.00 H new ATOM 0 HG SER A 31 10.328 13.943 -4.836 1.00 0.00 H new ATOM 481 N LYS A 32 7.575 13.282 -3.191 1.00 0.00 N ATOM 482 CA LYS A 32 6.430 12.517 -3.752 1.00 0.00 C ATOM 483 C LYS A 32 6.793 11.300 -4.644 1.00 0.00 C ATOM 484 O LYS A 32 6.210 10.230 -4.472 1.00 0.00 O ATOM 485 CB LYS A 32 5.380 13.465 -4.382 1.00 0.00 C ATOM 486 CG LYS A 32 5.667 14.042 -5.775 1.00 0.00 C ATOM 487 CD LYS A 32 4.587 15.019 -6.269 1.00 0.00 C ATOM 488 CE LYS A 32 4.565 16.397 -5.595 1.00 0.00 C ATOM 489 NZ LYS A 32 5.669 17.282 -6.070 1.00 0.00 N ATOM 0 H LYS A 32 7.614 14.254 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 32 5.967 12.030 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.434 12.927 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.234 14.302 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.628 14.555 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.757 13.222 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.719 15.163 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.612 14.553 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.607 16.879 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.643 16.271 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.506 18.252 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.576 16.934 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.695 17.277 -7.110 1.00 0.00 H new ATOM 503 N GLN A 33 7.759 11.462 -5.556 1.00 0.00 N ATOM 504 CA GLN A 33 8.244 10.367 -6.431 1.00 0.00 C ATOM 505 C GLN A 33 8.977 9.193 -5.730 1.00 0.00 C ATOM 506 O GLN A 33 8.759 8.048 -6.119 1.00 0.00 O ATOM 507 CB GLN A 33 9.076 11.066 -7.532 1.00 0.00 C ATOM 508 CG GLN A 33 9.584 10.123 -8.638 1.00 0.00 C ATOM 509 CD GLN A 33 9.901 10.842 -9.940 1.00 0.00 C ATOM 510 OE1 GLN A 33 9.009 11.212 -10.700 1.00 0.00 O ATOM 511 NE2 GLN A 33 11.153 11.078 -10.246 1.00 0.00 N ATOM 0 H GLN A 33 8.232 12.352 -5.715 1.00 0.00 H new ATOM 0 HA GLN A 33 7.392 9.826 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.469 11.848 -7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.932 11.557 -7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.479 9.610 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.832 9.357 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.897 10.773 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.383 11.567 -11.111 1.00 0.00 H new ATOM 520 N GLN A 34 9.803 9.457 -4.709 1.00 0.00 N ATOM 521 CA GLN A 34 10.391 8.393 -3.854 1.00 0.00 C ATOM 522 C GLN A 34 9.338 7.540 -3.075 1.00 0.00 C ATOM 523 O GLN A 34 9.357 6.314 -3.207 1.00 0.00 O ATOM 524 CB GLN A 34 11.441 8.990 -2.885 1.00 0.00 C ATOM 525 CG GLN A 34 12.706 9.593 -3.528 1.00 0.00 C ATOM 526 CD GLN A 34 13.625 8.597 -4.217 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.332 7.818 -3.587 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.654 8.575 -5.528 1.00 0.00 N ATOM 0 H GLN A 34 10.086 10.401 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 34 10.879 7.700 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.956 9.766 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.750 8.207 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.400 10.344 -4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.274 10.111 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.070 9.219 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.261 7.914 -6.014 1.00 0.00 H new ATOM 537 N VAL A 35 8.402 8.162 -2.331 1.00 0.00 N ATOM 538 CA VAL A 35 7.272 7.416 -1.699 1.00 0.00 C ATOM 539 C VAL A 35 6.278 6.742 -2.696 1.00 0.00 C ATOM 540 O VAL A 35 5.915 5.584 -2.473 1.00 0.00 O ATOM 541 CB VAL A 35 6.634 8.281 -0.572 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.739 9.433 -1.047 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.843 7.424 0.436 1.00 0.00 C ATOM 0 H VAL A 35 8.396 9.166 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 35 7.685 6.529 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 35 7.501 8.736 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.347 9.969 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.322 10.116 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.911 9.033 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.415 8.068 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.042 6.898 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.511 6.699 0.901 1.00 0.00 H new ATOM 553 N SER A 36 5.896 7.404 -3.805 1.00 0.00 N ATOM 554 CA SER A 36 5.092 6.764 -4.881 1.00 0.00 C ATOM 555 C SER A 36 5.776 5.595 -5.642 1.00 0.00 C ATOM 556 O SER A 36 5.121 4.581 -5.870 1.00 0.00 O ATOM 557 CB SER A 36 4.493 7.843 -5.823 1.00 0.00 C ATOM 558 OG SER A 36 5.267 8.094 -7.003 1.00 0.00 O ATOM 0 H SER A 36 6.128 8.381 -3.985 1.00 0.00 H new ATOM 0 HA SER A 36 4.277 6.253 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.491 7.533 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.387 8.775 -5.267 1.00 0.00 H new ATOM 0 HG SER A 36 4.911 7.565 -7.747 1.00 0.00 H new ATOM 564 N ALA A 37 7.067 5.693 -5.992 1.00 0.00 N ATOM 565 CA ALA A 37 7.843 4.549 -6.535 1.00 0.00 C ATOM 566 C ALA A 37 8.015 3.321 -5.586 1.00 0.00 C ATOM 567 O ALA A 37 7.856 2.188 -6.046 1.00 0.00 O ATOM 568 CB ALA A 37 9.203 5.092 -6.997 1.00 0.00 C ATOM 0 H ALA A 37 7.606 6.555 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 37 7.263 4.135 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.802 4.276 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.050 5.848 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.724 5.537 -6.149 1.00 0.00 H new ATOM 574 N LEU A 38 8.284 3.542 -4.287 1.00 0.00 N ATOM 575 CA LEU A 38 8.259 2.462 -3.261 1.00 0.00 C ATOM 576 C LEU A 38 6.857 1.801 -3.022 1.00 0.00 C ATOM 577 O LEU A 38 6.778 0.573 -2.966 1.00 0.00 O ATOM 578 CB LEU A 38 8.869 2.989 -1.933 1.00 0.00 C ATOM 579 CG LEU A 38 10.392 2.782 -1.755 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.262 3.533 -2.764 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.794 3.231 -0.334 1.00 0.00 C ATOM 0 H LEU A 38 8.523 4.460 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 38 8.869 1.653 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.656 4.055 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.357 2.502 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 38 10.572 1.720 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.313 3.328 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.016 3.203 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.078 4.604 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.866 3.089 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.547 4.284 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.253 2.637 0.402 1.00 0.00 H new ATOM 593 N LEU A 39 5.781 2.588 -2.917 1.00 0.00 N ATOM 594 CA LEU A 39 4.388 2.066 -2.901 1.00 0.00 C ATOM 595 C LEU A 39 3.853 1.429 -4.237 1.00 0.00 C ATOM 596 O LEU A 39 3.014 0.526 -4.179 1.00 0.00 O ATOM 597 CB LEU A 39 3.463 3.249 -2.499 1.00 0.00 C ATOM 598 CG LEU A 39 3.583 3.701 -1.028 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.896 5.060 -0.851 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.947 2.716 -0.045 1.00 0.00 C ATOM 0 H LEU A 39 5.838 3.603 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 39 4.386 1.235 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.685 4.099 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.429 2.964 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 39 4.649 3.758 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.981 5.378 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.375 5.796 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.843 4.973 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.064 3.090 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.886 2.609 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.437 1.746 -0.134 1.00 0.00 H new ATOM 612 N GLY A 40 4.294 1.934 -5.393 1.00 0.00 N ATOM 613 CA GLY A 40 3.847 1.489 -6.728 1.00 0.00 C ATOM 614 C GLY A 40 2.802 2.412 -7.375 1.00 0.00 C ATOM 615 O GLY A 40 1.624 2.054 -7.452 1.00 0.00 O ATOM 0 H GLY A 40 4.988 2.681 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.713 1.420 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.429 0.486 -6.645 1.00 0.00 H new ATOM 619 N THR A 41 3.218 3.613 -7.792 1.00 0.00 N ATOM 620 CA THR A 41 2.321 4.663 -8.368 1.00 0.00 C ATOM 621 C THR A 41 3.222 5.772 -9.038 1.00 0.00 C ATOM 622 O THR A 41 4.212 6.189 -8.420 1.00 0.00 O ATOM 623 CB THR A 41 1.383 5.272 -7.279 1.00 0.00 C ATOM 624 OG1 THR A 41 0.521 4.257 -6.770 1.00 0.00 O ATOM 625 CG2 THR A 41 0.453 6.386 -7.745 1.00 0.00 C ATOM 0 H THR A 41 4.195 3.902 -7.745 1.00 0.00 H new ATOM 0 HA THR A 41 1.670 4.216 -9.120 1.00 0.00 H new ATOM 0 HB THR A 41 2.076 5.691 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.641 3.435 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.150 6.732 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.044 7.215 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.201 6.009 -8.531 1.00 0.00 H new ATOM 633 N PRO A 42 2.921 6.319 -10.247 1.00 0.00 N ATOM 634 CA PRO A 42 3.685 7.482 -10.815 1.00 0.00 C ATOM 635 C PRO A 42 3.510 8.825 -10.048 1.00 0.00 C ATOM 636 O PRO A 42 2.555 9.031 -9.294 1.00 0.00 O ATOM 637 CB PRO A 42 3.151 7.533 -12.272 1.00 0.00 C ATOM 638 CG PRO A 42 1.709 6.986 -12.175 1.00 0.00 C ATOM 639 CD PRO A 42 1.813 5.874 -11.119 1.00 0.00 C ATOM 0 HA PRO A 42 4.764 7.346 -10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.164 8.550 -12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.762 6.926 -12.940 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.006 7.762 -11.872 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.362 6.598 -13.133 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.883 5.764 -10.560 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.026 4.907 -11.575 1.00 0.00 H new ATOM 647 N SER A 43 4.468 9.735 -10.244 1.00 0.00 N ATOM 648 CA SER A 43 4.479 11.061 -9.588 1.00 0.00 C ATOM 649 C SER A 43 3.539 12.111 -10.249 1.00 0.00 C ATOM 650 O SER A 43 2.845 11.854 -11.238 1.00 0.00 O ATOM 651 CB SER A 43 5.978 11.480 -9.549 1.00 0.00 C ATOM 652 OG SER A 43 6.526 11.728 -10.846 1.00 0.00 O ATOM 0 H SER A 43 5.264 9.580 -10.863 1.00 0.00 H new ATOM 0 HA SER A 43 4.060 11.005 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.082 12.378 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.556 10.695 -9.061 1.00 0.00 H new ATOM 0 HG SER A 43 7.429 11.351 -10.897 1.00 0.00 H new ATOM 658 N ILE A 44 3.511 13.304 -9.645 1.00 0.00 N ATOM 659 CA ILE A 44 2.630 14.424 -10.086 1.00 0.00 C ATOM 660 C ILE A 44 3.552 15.607 -10.558 1.00 0.00 C ATOM 661 O ILE A 44 3.935 16.426 -9.712 1.00 0.00 O ATOM 662 CB ILE A 44 1.605 14.845 -8.963 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.690 13.665 -8.525 1.00 0.00 C ATOM 664 CG2 ILE A 44 0.701 16.012 -9.444 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.097 13.926 -7.241 1.00 0.00 C ATOM 0 H ILE A 44 4.091 13.534 -8.838 1.00 0.00 H new ATOM 0 HA ILE A 44 2.007 14.107 -10.922 1.00 0.00 H new ATOM 0 HB ILE A 44 2.205 15.160 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.012 13.446 -9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.304 12.775 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.004 16.283 -8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.321 16.874 -9.692 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.143 15.700 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.709 13.055 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.596 14.114 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.740 14.795 -7.379 1.00 0.00 H new ATOM 677 N PRO A 45 3.899 15.759 -11.866 1.00 0.00 N ATOM 678 CA PRO A 45 4.711 16.922 -12.353 1.00 0.00 C ATOM 679 C PRO A 45 3.852 18.133 -12.815 1.00 0.00 C ATOM 680 O PRO A 45 3.742 18.429 -14.008 1.00 0.00 O ATOM 681 CB PRO A 45 5.532 16.238 -13.482 1.00 0.00 C ATOM 682 CG PRO A 45 4.553 15.208 -14.096 1.00 0.00 C ATOM 683 CD PRO A 45 3.762 14.689 -12.883 1.00 0.00 C ATOM 0 HA PRO A 45 5.328 17.398 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.866 16.962 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.424 15.752 -13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.897 15.670 -14.834 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.085 14.402 -14.602 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.716 14.514 -13.136 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.165 13.743 -12.521 1.00 0.00 H new ATOM 691 N ASP A 46 3.270 18.851 -11.844 1.00 0.00 N ATOM 692 CA ASP A 46 2.495 20.086 -12.107 1.00 0.00 C ATOM 693 C ASP A 46 3.424 21.348 -12.106 1.00 0.00 C ATOM 694 O ASP A 46 4.000 21.656 -11.053 1.00 0.00 O ATOM 695 CB ASP A 46 1.338 20.188 -11.085 1.00 0.00 C ATOM 696 CG ASP A 46 0.472 21.446 -11.206 1.00 0.00 C ATOM 697 OD1 ASP A 46 0.237 21.928 -12.336 1.00 0.00 O ATOM 698 OD2 ASP A 46 0.071 21.998 -10.160 1.00 0.00 O ATOM 0 H ASP A 46 3.319 18.599 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 46 2.057 20.041 -13.104 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.698 19.313 -11.196 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.758 20.150 -10.080 1.00 0.00 H new ATOM 703 N PRO A 47 3.541 22.141 -13.205 1.00 0.00 N ATOM 704 CA PRO A 47 4.156 23.503 -13.148 1.00 0.00 C ATOM 705 C PRO A 47 3.344 24.646 -12.466 1.00 0.00 C ATOM 706 O PRO A 47 3.927 25.711 -12.254 1.00 0.00 O ATOM 707 CB PRO A 47 4.415 23.774 -14.656 1.00 0.00 C ATOM 708 CG PRO A 47 3.237 23.078 -15.375 1.00 0.00 C ATOM 709 CD PRO A 47 2.984 21.814 -14.536 1.00 0.00 C ATOM 0 HA PRO A 47 5.030 23.507 -12.496 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.437 24.842 -14.870 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.374 23.365 -14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.355 23.718 -15.408 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.489 22.829 -16.406 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.921 21.583 -14.476 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.476 20.943 -14.970 1.00 0.00 H new ATOM 717 N PHE A 48 2.060 24.455 -12.102 1.00 0.00 N ATOM 718 CA PHE A 48 1.303 25.429 -11.268 1.00 0.00 C ATOM 719 C PHE A 48 1.748 25.329 -9.779 1.00 0.00 C ATOM 720 O PHE A 48 2.465 26.225 -9.326 1.00 0.00 O ATOM 721 CB PHE A 48 -0.201 25.220 -11.562 1.00 0.00 C ATOM 722 CG PHE A 48 -1.141 26.406 -11.258 1.00 0.00 C ATOM 723 CD1 PHE A 48 -1.112 27.104 -10.035 1.00 0.00 C ATOM 724 CD2 PHE A 48 -2.091 26.794 -12.217 1.00 0.00 C ATOM 725 CE1 PHE A 48 -1.994 28.157 -9.787 1.00 0.00 C ATOM 726 CE2 PHE A 48 -2.975 27.847 -11.969 1.00 0.00 C ATOM 727 CZ PHE A 48 -2.924 28.526 -10.755 1.00 0.00 C ATOM 0 H PHE A 48 1.518 23.634 -12.370 1.00 0.00 H new ATOM 0 HA PHE A 48 1.520 26.467 -11.519 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.309 24.963 -12.616 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.543 24.359 -10.987 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.396 26.820 -9.278 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.139 26.270 -13.160 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.955 28.685 -8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.697 28.134 -12.719 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.607 29.340 -10.564 1.00 0.00 H new ATOM 737 N HIS A 49 1.370 24.277 -9.025 1.00 0.00 N ATOM 738 CA HIS A 49 2.013 23.974 -7.720 1.00 0.00 C ATOM 739 C HIS A 49 1.776 22.471 -7.386 1.00 0.00 C ATOM 740 O HIS A 49 0.702 22.090 -6.905 1.00 0.00 O ATOM 741 CB HIS A 49 1.499 24.911 -6.597 1.00 0.00 C ATOM 742 CG HIS A 49 2.474 25.087 -5.405 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.623 26.305 -4.773 1.00 0.00 N ATOM 744 CD2 HIS A 49 3.335 24.141 -4.781 1.00 0.00 C ATOM 745 CE1 HIS A 49 3.565 25.994 -3.832 1.00 0.00 C ATOM 746 NE2 HIS A 49 4.065 24.721 -3.759 1.00 0.00 N ATOM 0 H HIS A 49 0.631 23.626 -9.289 1.00 0.00 H new ATOM 0 HA HIS A 49 3.085 24.157 -7.791 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.291 25.891 -7.027 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.553 24.521 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.409 23.103 -5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.915 26.752 -3.147 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.767 24.320 -3.137 1.00 0.00 H new ATOM 754 N ALA A 50 2.800 21.628 -7.591 1.00 0.00 N ATOM 755 CA ALA A 50 2.681 20.173 -7.350 1.00 0.00 C ATOM 756 C ALA A 50 2.677 19.765 -5.848 1.00 0.00 C ATOM 757 O ALA A 50 3.715 19.466 -5.255 1.00 0.00 O ATOM 758 CB ALA A 50 3.836 19.535 -8.133 1.00 0.00 C ATOM 0 H ALA A 50 3.719 21.923 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 50 1.709 19.816 -7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.811 18.453 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.734 19.774 -9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.785 19.924 -7.764 1.00 0.00 H new ATOM 764 N GLN A 51 1.474 19.744 -5.260 1.00 0.00 N ATOM 765 CA GLN A 51 1.290 19.474 -3.809 1.00 0.00 C ATOM 766 C GLN A 51 0.792 18.009 -3.594 1.00 0.00 C ATOM 767 O GLN A 51 1.380 17.077 -4.149 1.00 0.00 O ATOM 768 CB GLN A 51 0.433 20.624 -3.206 1.00 0.00 C ATOM 769 CG GLN A 51 1.100 22.011 -3.295 1.00 0.00 C ATOM 770 CD GLN A 51 0.517 23.052 -2.356 1.00 0.00 C ATOM 771 OE1 GLN A 51 -0.609 23.512 -2.509 1.00 0.00 O ATOM 772 NE2 GLN A 51 1.263 23.469 -1.362 1.00 0.00 N ATOM 0 H GLN A 51 0.602 19.911 -5.762 1.00 0.00 H new ATOM 0 HA GLN A 51 2.223 19.495 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.526 20.659 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.224 20.398 -2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.163 21.903 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.016 22.376 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.200 23.088 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.906 24.175 -0.718 1.00 0.00 H new ATOM 781 N ARG A 52 -0.245 17.818 -2.768 1.00 0.00 N ATOM 782 CA ARG A 52 -0.742 16.493 -2.322 1.00 0.00 C ATOM 783 C ARG A 52 -1.064 15.433 -3.423 1.00 0.00 C ATOM 784 O ARG A 52 -1.496 15.759 -4.533 1.00 0.00 O ATOM 785 CB ARG A 52 -1.926 16.738 -1.342 1.00 0.00 C ATOM 786 CG ARG A 52 -3.340 17.017 -1.866 1.00 0.00 C ATOM 787 CD ARG A 52 -3.625 18.328 -2.604 1.00 0.00 C ATOM 788 NE ARG A 52 -3.214 18.292 -4.030 1.00 0.00 N ATOM 789 CZ ARG A 52 -3.899 17.742 -5.031 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.094 17.221 -4.906 1.00 0.00 N ATOM 791 NH2 ARG A 52 -3.339 17.705 -6.203 1.00 0.00 N ATOM 0 H ARG A 52 -0.780 18.594 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 52 0.094 16.001 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.992 15.863 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.648 17.581 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.607 16.200 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.020 16.967 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.691 18.548 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.103 19.142 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.323 18.730 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.558 17.220 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.561 16.816 -5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.403 18.090 -6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.835 17.291 -6.992 1.00 0.00 H new ATOM 805 N TRP A 53 -0.900 14.153 -3.077 1.00 0.00 N ATOM 806 CA TRP A 53 -1.495 13.020 -3.854 1.00 0.00 C ATOM 807 C TRP A 53 -2.803 12.638 -3.126 1.00 0.00 C ATOM 808 O TRP A 53 -2.790 11.780 -2.248 1.00 0.00 O ATOM 809 CB TRP A 53 -0.396 11.951 -3.935 1.00 0.00 C ATOM 810 CG TRP A 53 -0.680 10.468 -4.329 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.838 9.862 -4.914 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.171 9.389 -4.060 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.728 8.459 -4.977 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.494 8.188 -4.427 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.480 9.326 -3.468 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.128 6.927 -4.182 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.058 8.083 -3.245 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.392 6.896 -3.601 1.00 0.00 C ATOM 0 H TRP A 53 -0.361 13.857 -2.263 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.788 13.225 -4.884 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.345 12.322 -4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.083 11.925 -2.956 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.696 10.416 -5.266 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.408 7.794 -5.346 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.005 10.231 -3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.376 6.009 -4.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.036 8.027 -2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.870 5.945 -3.420 1.00 0.00 H new ATOM 829 N ASP A 54 -3.911 13.306 -3.484 1.00 0.00 N ATOM 830 CA ASP A 54 -5.268 12.968 -2.974 1.00 0.00 C ATOM 831 C ASP A 54 -6.132 12.421 -4.151 1.00 0.00 C ATOM 832 O ASP A 54 -6.950 13.134 -4.742 1.00 0.00 O ATOM 833 CB ASP A 54 -5.833 14.238 -2.306 1.00 0.00 C ATOM 834 CG ASP A 54 -7.149 14.045 -1.561 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.395 12.936 -1.029 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.924 15.019 -1.475 1.00 0.00 O ATOM 0 H ASP A 54 -3.902 14.094 -4.132 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.258 12.178 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.091 14.623 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.975 15.000 -3.072 1.00 0.00 H new ATOM 841 N TYR A 55 -5.872 11.161 -4.537 1.00 0.00 N ATOM 842 CA TYR A 55 -6.440 10.571 -5.774 1.00 0.00 C ATOM 843 C TYR A 55 -6.726 9.052 -5.565 1.00 0.00 C ATOM 844 O TYR A 55 -5.959 8.334 -4.910 1.00 0.00 O ATOM 845 CB TYR A 55 -5.447 10.731 -6.971 1.00 0.00 C ATOM 846 CG TYR A 55 -5.213 12.181 -7.418 1.00 0.00 C ATOM 847 CD1 TYR A 55 -6.168 12.869 -8.182 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.091 12.881 -6.957 1.00 0.00 C ATOM 849 CE1 TYR A 55 -6.020 14.235 -8.442 1.00 0.00 C ATOM 850 CE2 TYR A 55 -3.957 14.249 -7.193 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.920 14.927 -7.936 1.00 0.00 C ATOM 852 OH TYR A 55 -4.809 16.270 -8.148 1.00 0.00 O ATOM 0 H TYR A 55 -5.271 10.525 -4.013 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.368 11.098 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.489 10.291 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.825 10.160 -7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.024 12.339 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.321 12.355 -6.412 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.758 14.754 -9.035 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.105 14.783 -6.799 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.703 16.666 -8.214 1.00 0.00 H new ATOM 862 N THR A 56 -7.780 8.540 -6.227 1.00 0.00 N ATOM 863 CA THR A 56 -7.985 7.063 -6.355 1.00 0.00 C ATOM 864 C THR A 56 -7.053 6.475 -7.460 1.00 0.00 C ATOM 865 O THR A 56 -7.450 6.252 -8.607 1.00 0.00 O ATOM 866 CB THR A 56 -9.492 6.757 -6.549 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.238 7.310 -5.467 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.833 5.268 -6.555 1.00 0.00 C ATOM 0 H THR A 56 -8.498 9.106 -6.679 1.00 0.00 H new ATOM 0 HA THR A 56 -7.692 6.556 -5.436 1.00 0.00 H new ATOM 0 HB THR A 56 -9.741 7.186 -7.519 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.190 7.116 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.906 5.141 -6.696 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.300 4.776 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.536 4.823 -5.605 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.986 1.703 -4.995 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.119 2.313 -3.958 1.00 0.00 C ATOM 1097 C LYS A 70 -5.401 3.827 -3.833 1.00 0.00 C ATOM 1098 O LYS A 70 -4.717 4.675 -4.417 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.646 1.877 -4.156 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.907 2.354 -5.410 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.691 1.506 -5.802 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.531 1.544 -4.809 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.486 0.572 -5.278 1.00 0.00 N ATOM 0 HA LYS A 70 -5.363 1.932 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.080 2.216 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.619 0.787 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.608 2.367 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.580 3.382 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.012 0.471 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.329 1.843 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.107 2.546 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.875 1.287 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.262 0.522 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.049 -0.367 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.861 0.879 -6.198 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.429 4.157 -3.034 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.754 5.561 -2.667 1.00 0.00 C ATOM 1119 C ASN A 71 -5.946 6.043 -1.425 1.00 0.00 C ATOM 1120 O ASN A 71 -6.443 6.097 -0.297 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.279 5.784 -2.605 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.135 4.924 -1.698 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.630 3.872 -2.091 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.364 5.339 -0.475 1.00 0.00 N ATOM 0 H ASN A 71 -7.060 3.469 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.414 6.223 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.443 6.822 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.665 5.670 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.953 4.787 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.953 6.213 -0.148 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.678 6.396 -1.675 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.745 6.893 -0.635 1.00 0.00 C ATOM 1133 C PHE A 72 -3.701 8.440 -0.679 1.00 0.00 C ATOM 1134 O PHE A 72 -3.075 9.017 -1.573 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.379 6.223 -0.938 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.267 6.466 0.096 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.317 5.856 1.356 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.141 7.235 -0.229 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.262 5.987 2.261 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.921 7.360 0.671 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.863 6.726 1.909 1.00 0.00 C ATOM 0 H PHE A 72 -4.262 6.348 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.052 6.638 0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.536 5.148 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.030 6.577 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.185 5.275 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.094 7.736 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.319 5.516 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.787 7.949 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.692 6.808 2.597 1.00 0.00 H new ATOM 1151 N THR A 73 -4.353 9.099 0.293 1.00 0.00 N ATOM 1152 CA THR A 73 -4.259 10.576 0.444 1.00 0.00 C ATOM 1153 C THR A 73 -2.981 10.922 1.253 1.00 0.00 C ATOM 1154 O THR A 73 -2.906 10.653 2.452 1.00 0.00 O ATOM 1155 CB THR A 73 -5.548 11.180 1.066 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.648 10.962 0.190 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.457 12.696 1.240 1.00 0.00 C ATOM 0 H THR A 73 -4.949 8.644 0.985 1.00 0.00 H new ATOM 0 HA THR A 73 -4.176 11.034 -0.542 1.00 0.00 H new ATOM 0 HB THR A 73 -5.673 10.697 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.731 11.720 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.383 13.068 1.678 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.622 12.937 1.897 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.301 13.165 0.268 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.000 11.534 0.588 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.726 11.958 1.231 1.00 0.00 C ATOM 1167 C VAL A 74 -0.422 13.440 0.876 1.00 0.00 C ATOM 1168 O VAL A 74 -0.445 13.854 -0.288 1.00 0.00 O ATOM 1169 CB VAL A 74 0.432 10.959 0.945 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.709 10.683 -0.532 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.772 11.398 1.573 1.00 0.00 C ATOM 0 H VAL A 74 -2.052 11.755 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.834 11.924 2.315 1.00 0.00 H new ATOM 0 HB VAL A 74 0.058 10.045 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.533 9.975 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.183 10.263 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.975 11.614 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.542 10.662 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.063 12.368 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.659 11.475 2.654 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.113 14.219 1.913 1.00 0.00 N ATOM 1182 CA PHE A 75 0.095 15.680 1.807 1.00 0.00 C ATOM 1183 C PHE A 75 1.605 16.037 1.691 1.00 0.00 C ATOM 1184 O PHE A 75 2.462 15.465 2.373 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.553 16.357 3.046 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.095 16.404 2.968 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.741 17.462 2.312 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.878 15.368 3.504 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.132 17.480 2.186 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.269 15.396 3.397 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.893 16.447 2.731 1.00 0.00 C ATOM 0 H PHE A 75 0.003 13.860 2.861 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.378 16.049 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.256 15.817 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.168 17.372 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.157 18.271 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.398 14.540 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.617 18.293 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.861 14.603 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.969 16.462 2.636 1.00 0.00 H new ATOM 1201 N PHE A 76 1.899 17.006 0.820 1.00 0.00 N ATOM 1202 CA PHE A 76 3.278 17.481 0.557 1.00 0.00 C ATOM 1203 C PHE A 76 3.303 19.054 0.546 1.00 0.00 C ATOM 1204 O PHE A 76 2.350 19.676 0.059 1.00 0.00 O ATOM 1205 CB PHE A 76 3.800 16.987 -0.823 1.00 0.00 C ATOM 1206 CG PHE A 76 3.750 15.479 -1.103 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.681 14.592 -0.546 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.741 14.959 -1.922 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.570 13.218 -0.769 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.635 13.590 -2.150 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.539 12.718 -1.561 1.00 0.00 C ATOM 0 H PHE A 76 1.190 17.491 0.270 1.00 0.00 H new ATOM 0 HA PHE A 76 3.916 17.082 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.226 17.492 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.835 17.314 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.490 14.974 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.033 15.631 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.286 12.541 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.850 13.207 -2.785 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.444 11.653 -1.716 1.00 0.00 H new ATOM 1221 N GLU A 77 4.415 19.686 0.976 1.00 0.00 N ATOM 1222 CA GLU A 77 4.613 21.163 0.755 1.00 0.00 C ATOM 1223 C GLU A 77 4.745 21.507 -0.779 1.00 0.00 C ATOM 1224 O GLU A 77 3.862 22.142 -1.355 1.00 0.00 O ATOM 1225 CB GLU A 77 5.811 21.721 1.564 1.00 0.00 C ATOM 1226 CG GLU A 77 5.491 22.324 2.939 1.00 0.00 C ATOM 1227 CD GLU A 77 5.206 21.356 4.062 1.00 0.00 C ATOM 1228 OE1 GLU A 77 6.125 20.605 4.456 1.00 0.00 O ATOM 1229 OE2 GLU A 77 4.073 21.372 4.587 1.00 0.00 O ATOM 0 H GLU A 77 5.181 19.225 1.468 1.00 0.00 H new ATOM 0 HA GLU A 77 3.718 21.659 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.532 20.915 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.302 22.486 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.331 22.952 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.627 22.979 2.829 1.00 0.00 H new ATOM 1236 N ASN A 78 5.811 21.005 -1.412 1.00 0.00 N ATOM 1237 CA ASN A 78 5.771 20.596 -2.842 1.00 0.00 C ATOM 1238 C ASN A 78 6.286 19.125 -2.916 1.00 0.00 C ATOM 1239 O ASN A 78 5.497 18.232 -3.221 1.00 0.00 O ATOM 1240 CB ASN A 78 6.514 21.623 -3.720 1.00 0.00 C ATOM 1241 CG ASN A 78 6.414 21.375 -5.224 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.581 20.267 -5.729 1.00 0.00 O ATOM 1243 ND2 ASN A 78 6.175 22.398 -6.006 1.00 0.00 N ATOM 0 H ASN A 78 6.718 20.868 -0.966 1.00 0.00 H new ATOM 0 HA ASN A 78 4.763 20.598 -3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.121 22.616 -3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.566 21.628 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.130 22.268 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.034 23.325 -5.604 1.00 0.00 H new ATOM 1250 N GLU A 79 7.570 18.880 -2.611 1.00 0.00 N ATOM 1251 CA GLU A 79 8.133 17.513 -2.512 1.00 0.00 C ATOM 1252 C GLU A 79 8.096 16.887 -1.083 1.00 0.00 C ATOM 1253 O GLU A 79 7.802 15.695 -0.979 1.00 0.00 O ATOM 1254 CB GLU A 79 9.581 17.521 -3.077 1.00 0.00 C ATOM 1255 CG GLU A 79 9.690 17.485 -4.615 1.00 0.00 C ATOM 1256 CD GLU A 79 9.112 16.249 -5.275 1.00 0.00 C ATOM 1257 OE1 GLU A 79 9.622 15.126 -5.048 1.00 0.00 O ATOM 1258 OE2 GLU A 79 8.111 16.384 -6.003 1.00 0.00 O ATOM 0 H GLU A 79 8.250 19.617 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 79 7.486 16.868 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.090 18.414 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.116 16.662 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.186 18.363 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.741 17.566 -4.891 1.00 0.00 H new ATOM 1265 N GLN A 80 8.412 17.631 -0.006 1.00 0.00 N ATOM 1266 CA GLN A 80 8.596 17.027 1.341 1.00 0.00 C ATOM 1267 C GLN A 80 7.280 16.526 1.995 1.00 0.00 C ATOM 1268 O GLN A 80 6.255 17.211 1.955 1.00 0.00 O ATOM 1269 CB GLN A 80 9.406 17.947 2.285 1.00 0.00 C ATOM 1270 CG GLN A 80 8.773 19.302 2.650 1.00 0.00 C ATOM 1271 CD GLN A 80 9.550 20.086 3.701 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.766 20.245 3.642 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.880 20.643 4.680 1.00 0.00 N ATOM 0 H GLN A 80 8.546 18.642 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 80 9.190 16.128 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.596 17.402 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.375 18.139 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.690 19.908 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.760 19.132 3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.869 20.519 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.369 21.200 5.380 1.00 0.00 H new ATOM 1282 N VAL A 81 7.324 15.315 2.566 1.00 0.00 N ATOM 1283 CA VAL A 81 6.092 14.578 2.963 1.00 0.00 C ATOM 1284 C VAL A 81 5.629 14.971 4.408 1.00 0.00 C ATOM 1285 O VAL A 81 6.427 14.994 5.350 1.00 0.00 O ATOM 1286 CB VAL A 81 6.247 13.019 2.869 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.859 12.352 2.775 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.131 12.476 1.733 1.00 0.00 C ATOM 0 H VAL A 81 8.191 14.817 2.768 1.00 0.00 H new ATOM 0 HA VAL A 81 5.330 14.877 2.243 1.00 0.00 H new ATOM 0 HB VAL A 81 6.774 12.761 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.979 11.271 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.275 12.600 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.341 12.714 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.155 11.387 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.722 12.789 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.143 12.866 1.841 1.00 0.00 H new ATOM 1298 N VAL A 82 4.328 15.245 4.546 1.00 0.00 N ATOM 1299 CA VAL A 82 3.751 15.867 5.777 1.00 0.00 C ATOM 1300 C VAL A 82 2.961 14.798 6.600 1.00 0.00 C ATOM 1301 O VAL A 82 3.370 14.466 7.714 1.00 0.00 O ATOM 1302 CB VAL A 82 2.937 17.141 5.370 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.262 17.863 6.552 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.832 18.202 4.684 1.00 0.00 C ATOM 0 H VAL A 82 3.636 15.050 3.822 1.00 0.00 H new ATOM 0 HA VAL A 82 4.530 16.216 6.455 1.00 0.00 H new ATOM 0 HB VAL A 82 2.176 16.748 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.719 18.734 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.567 17.183 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.022 18.183 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.229 19.070 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.624 18.507 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.274 17.777 3.783 1.00 0.00 H new ATOM 1314 N ARG A 83 1.846 14.274 6.063 1.00 0.00 N ATOM 1315 CA ARG A 83 1.062 13.167 6.686 1.00 0.00 C ATOM 1316 C ARG A 83 0.273 12.366 5.593 1.00 0.00 C ATOM 1317 O ARG A 83 0.093 12.826 4.458 1.00 0.00 O ATOM 1318 CB ARG A 83 0.197 13.605 7.898 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.605 14.910 7.843 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.604 15.061 6.705 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.896 14.379 6.958 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.015 14.998 7.337 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.040 16.209 7.834 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -5.147 14.379 7.215 1.00 0.00 N ATOM 0 H ARG A 83 1.452 14.600 5.180 1.00 0.00 H new ATOM 0 HA ARG A 83 1.780 12.479 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.510 12.800 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.860 13.669 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.145 15.015 8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.101 15.739 7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.789 16.121 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.164 14.662 5.791 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.931 13.367 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.171 16.731 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.928 16.630 8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.173 13.433 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.012 14.838 7.500 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.140 11.141 5.940 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.685 10.160 4.980 1.00 0.00 C ATOM 1340 C TRP A 84 -1.810 9.244 5.548 1.00 0.00 C ATOM 1341 O TRP A 84 -1.747 8.776 6.689 1.00 0.00 O ATOM 1342 CB TRP A 84 0.441 9.328 4.344 1.00 0.00 C ATOM 1343 CG TRP A 84 1.393 8.476 5.220 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.115 7.219 5.820 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.749 8.703 5.478 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.244 6.687 6.464 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.243 7.611 6.236 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.641 9.740 5.058 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.628 7.552 6.584 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.983 9.662 5.415 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.472 8.580 6.170 1.00 0.00 C ATOM 0 H TRP A 84 -0.107 10.796 6.899 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.172 10.757 4.208 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.026 8.651 3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.063 10.016 3.772 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.152 6.731 5.785 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.311 5.812 6.984 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.277 10.571 4.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 5.014 6.723 7.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.661 10.445 5.108 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.519 8.546 6.433 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.797 8.964 4.686 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.009 8.195 5.051 1.00 0.00 C ATOM 1364 C GLU A 85 -4.298 7.137 3.929 1.00 0.00 C ATOM 1365 O GLU A 85 -4.555 7.486 2.771 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.230 9.136 5.224 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.168 10.108 6.419 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.552 11.467 6.136 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -5.241 12.321 5.543 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -3.430 11.762 6.597 1.00 0.00 O ATOM 0 H GLU A 85 -2.783 9.263 3.711 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.838 7.690 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.346 9.720 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.125 8.523 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.181 10.260 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.601 9.633 7.220 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.231 5.847 4.292 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.274 4.742 3.313 1.00 0.00 C ATOM 1379 C GLY A 86 -5.387 3.708 3.489 1.00 0.00 C ATOM 1380 O GLY A 86 -5.189 2.710 4.184 1.00 0.00 O ATOM 0 H GLY A 86 -4.146 5.539 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.366 5.174 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.317 4.221 3.347 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.488 3.891 2.754 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.446 2.791 2.448 1.00 0.00 C ATOM 1386 C ASP A 87 -7.130 2.277 1.003 1.00 0.00 C ATOM 1387 O ASP A 87 -7.346 2.972 0.006 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.900 3.288 2.570 1.00 0.00 C ATOM 1389 CG ASP A 87 -9.399 3.377 4.008 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -9.591 2.314 4.639 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -9.616 4.502 4.506 1.00 0.00 O ATOM 0 H ASP A 87 -6.751 4.791 2.352 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.336 1.974 3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.979 4.271 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.552 2.618 2.009 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.512 1.090 0.907 1.00 0.00 N ATOM 1397 CA TYR A 88 -5.712 0.722 -0.291 1.00 0.00 C ATOM 1398 C TYR A 88 -5.565 -0.815 -0.483 1.00 0.00 C ATOM 1399 O TYR A 88 -4.666 -1.424 0.096 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.343 1.467 -0.325 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.365 1.459 0.871 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.514 0.680 2.043 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.261 2.313 0.791 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.612 0.797 3.100 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.344 2.407 1.842 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.540 1.674 3.007 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.748 1.894 4.090 1.00 0.00 O ATOM 0 H TYR A 88 -6.544 0.371 1.630 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.281 1.065 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.794 1.072 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.562 2.512 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.337 -0.015 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.114 2.910 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.748 0.204 3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.482 3.050 1.749 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.281 2.290 4.810 1.00 0.00 H new ATOM 1667 N GLY A 105 -1.113 -17.811 -8.344 1.00 0.00 N ATOM 1668 CA GLY A 105 0.352 -17.634 -8.430 1.00 0.00 C ATOM 1669 C GLY A 105 0.999 -18.088 -9.747 1.00 0.00 C ATOM 1670 O GLY A 105 1.782 -19.039 -9.761 1.00 0.00 O ATOM 0 HA2 GLY A 105 0.582 -16.580 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.815 -18.183 -7.610 1.00 0.00 H new ATOM 1674 N ARG A 106 0.672 -17.385 -10.839 1.00 0.00 N ATOM 1675 CA ARG A 106 1.227 -17.661 -12.184 1.00 0.00 C ATOM 1676 C ARG A 106 1.089 -16.376 -13.068 1.00 0.00 C ATOM 1677 O ARG A 106 -0.025 -15.897 -13.319 1.00 0.00 O ATOM 1678 CB ARG A 106 0.500 -18.873 -12.837 1.00 0.00 C ATOM 1679 CG ARG A 106 1.229 -19.407 -14.084 1.00 0.00 C ATOM 1680 CD ARG A 106 0.419 -20.475 -14.837 1.00 0.00 C ATOM 1681 NE ARG A 106 1.050 -20.782 -16.153 1.00 0.00 N ATOM 1682 CZ ARG A 106 0.966 -20.016 -17.242 1.00 0.00 C ATOM 1683 NH1 ARG A 106 0.224 -18.942 -17.312 1.00 0.00 N ATOM 1684 NH2 ARG A 106 1.666 -20.334 -18.290 1.00 0.00 N ATOM 0 H ARG A 106 0.014 -16.606 -10.822 1.00 0.00 H new ATOM 0 HA ARG A 106 2.282 -17.920 -12.098 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.410 -19.674 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.512 -18.578 -13.113 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.442 -18.577 -14.758 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.189 -19.829 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.357 -21.383 -14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.602 -20.124 -14.990 1.00 0.00 H new ATOM 0 HE ARG A 106 1.588 -21.645 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.330 -18.651 -16.506 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.199 -18.395 -18.172 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.267 -21.158 -18.271 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.614 -19.760 -19.131 1.00 0.00 H new ATOM 1698 N ASN A 107 2.228 -15.867 -13.552 1.00 0.00 N ATOM 1699 CA ASN A 107 2.291 -14.635 -14.379 1.00 0.00 C ATOM 1700 C ASN A 107 3.045 -14.850 -15.729 1.00 0.00 C ATOM 1701 O ASN A 107 4.172 -14.382 -15.914 1.00 0.00 O ATOM 1702 CB ASN A 107 2.838 -13.450 -13.551 1.00 0.00 C ATOM 1703 CG ASN A 107 4.161 -13.554 -12.810 1.00 0.00 C ATOM 1704 OD1 ASN A 107 4.731 -14.616 -12.584 1.00 0.00 O ATOM 1705 ND2 ASN A 107 4.685 -12.438 -12.365 1.00 0.00 N ATOM 0 H ASN A 107 3.140 -16.292 -13.386 1.00 0.00 H new ATOM 0 HA ASN A 107 1.273 -14.378 -14.671 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.917 -12.599 -14.227 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.077 -13.200 -12.811 1.00 0.00 H new ATOM 0 HD21 ASN A 107 5.558 -12.459 -11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 107 4.220 -11.548 -12.547 1.00 0.00 H new ATOM 1712 N LEU A 108 2.391 -15.532 -16.686 1.00 0.00 N ATOM 1713 CA LEU A 108 2.958 -15.752 -18.050 1.00 0.00 C ATOM 1714 C LEU A 108 1.807 -16.009 -19.065 1.00 0.00 C ATOM 1715 O LEU A 108 1.230 -17.102 -19.093 1.00 0.00 O ATOM 1716 CB LEU A 108 4.001 -16.900 -17.993 1.00 0.00 C ATOM 1717 CG LEU A 108 4.974 -17.104 -19.173 1.00 0.00 C ATOM 1718 CD1 LEU A 108 4.333 -17.694 -20.428 1.00 0.00 C ATOM 1719 CD2 LEU A 108 5.771 -15.844 -19.528 1.00 0.00 C ATOM 0 H LEU A 108 1.468 -15.945 -16.550 1.00 0.00 H new ATOM 0 HA LEU A 108 3.483 -14.863 -18.399 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.602 -16.750 -17.096 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.453 -17.832 -17.857 1.00 0.00 H new ATOM 0 HG LEU A 108 5.671 -17.851 -18.794 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.089 -17.803 -21.206 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.909 -18.671 -20.195 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.543 -17.030 -20.780 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.435 -16.058 -20.365 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.084 -15.045 -19.805 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.362 -15.532 -18.667 1.00 0.00 H new ATOM 1731 N ALA A 109 1.489 -15.016 -19.909 1.00 0.00 N ATOM 1732 CA ALA A 109 0.585 -15.209 -21.080 1.00 0.00 C ATOM 1733 C ALA A 109 1.433 -15.182 -22.382 1.00 0.00 C ATOM 1734 O ALA A 109 1.972 -16.223 -22.763 1.00 0.00 O ATOM 1735 CB ALA A 109 -0.546 -14.183 -20.954 1.00 0.00 C ATOM 0 H ALA A 109 1.840 -14.063 -19.812 1.00 0.00 H new ATOM 0 HA ALA A 109 0.093 -16.181 -21.115 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.231 -14.292 -21.795 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.086 -14.349 -20.022 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.126 -13.177 -20.956 1.00 0.00 H new ATOM 1741 N ARG A 110 1.646 -14.013 -23.006 1.00 0.00 N ATOM 1742 CA ARG A 110 2.931 -13.727 -23.698 1.00 0.00 C ATOM 1743 C ARG A 110 3.459 -12.390 -23.096 1.00 0.00 C ATOM 1744 O ARG A 110 3.106 -11.298 -23.553 1.00 0.00 O ATOM 1745 CB ARG A 110 2.753 -13.688 -25.230 1.00 0.00 C ATOM 1746 CG ARG A 110 4.046 -13.879 -26.062 1.00 0.00 C ATOM 1747 CD ARG A 110 5.160 -12.855 -25.806 1.00 0.00 C ATOM 1748 NE ARG A 110 6.305 -13.109 -26.711 1.00 0.00 N ATOM 1749 CZ ARG A 110 7.562 -12.734 -26.482 1.00 0.00 C ATOM 1750 NH1 ARG A 110 7.960 -12.087 -25.412 1.00 0.00 N ATOM 1751 NH2 ARG A 110 8.458 -13.034 -27.377 1.00 0.00 N ATOM 0 H ARG A 110 0.963 -13.256 -23.051 1.00 0.00 H new ATOM 0 HA ARG A 110 3.664 -14.517 -23.536 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.042 -14.464 -25.515 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.306 -12.731 -25.501 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.441 -14.875 -25.862 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.784 -13.846 -27.119 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.780 -11.846 -25.963 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.487 -12.914 -24.768 1.00 0.00 H new ATOM 0 HE ARG A 110 6.115 -13.611 -27.578 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.287 -11.839 -24.687 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.942 -11.833 -25.306 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.187 -13.540 -28.220 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.431 -12.763 -27.235 1.00 0.00 H new ATOM 1765 N ASP A 111 4.317 -12.500 -22.078 1.00 0.00 N ATOM 1766 CA ASP A 111 4.816 -11.326 -21.332 1.00 0.00 C ATOM 1767 C ASP A 111 6.058 -10.638 -22.011 1.00 0.00 C ATOM 1768 O ASP A 111 6.783 -11.199 -22.842 1.00 0.00 O ATOM 1769 CB ASP A 111 5.122 -11.776 -19.881 1.00 0.00 C ATOM 1770 CG ASP A 111 3.909 -11.898 -18.955 1.00 0.00 C ATOM 1771 OD1 ASP A 111 2.898 -12.554 -19.293 1.00 0.00 O ATOM 1772 OD2 ASP A 111 3.961 -11.325 -17.844 1.00 0.00 O ATOM 0 H ASP A 111 4.686 -13.391 -21.745 1.00 0.00 H new ATOM 0 HA ASP A 111 4.044 -10.556 -21.332 1.00 0.00 H new ATOM 0 HB2 ASP A 111 5.626 -12.742 -19.918 1.00 0.00 H new ATOM 0 HB3 ASP A 111 5.823 -11.067 -19.440 1.00 0.00 H new ATOM 1777 N LYS A 112 6.264 -9.385 -21.594 1.00 0.00 N ATOM 1778 CA LYS A 112 7.525 -8.628 -21.810 1.00 0.00 C ATOM 1779 C LYS A 112 7.927 -8.144 -20.382 1.00 0.00 C ATOM 1780 O LYS A 112 7.415 -7.135 -19.886 1.00 0.00 O ATOM 1781 CB LYS A 112 7.237 -7.492 -22.817 1.00 0.00 C ATOM 1782 CG LYS A 112 8.469 -6.635 -23.186 1.00 0.00 C ATOM 1783 CD LYS A 112 8.082 -5.522 -24.179 1.00 0.00 C ATOM 1784 CE LYS A 112 9.210 -4.523 -24.503 1.00 0.00 C ATOM 1785 NZ LYS A 112 10.251 -5.109 -25.396 1.00 0.00 N ATOM 0 H LYS A 112 5.557 -8.851 -21.089 1.00 0.00 H new ATOM 0 HA LYS A 112 8.348 -9.196 -22.243 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.827 -7.927 -23.728 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.469 -6.841 -22.401 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.894 -6.193 -22.285 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.240 -7.268 -23.625 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.747 -5.984 -25.108 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.234 -4.971 -23.773 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.783 -3.640 -24.978 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.676 -4.192 -23.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.987 -4.399 -25.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.679 -5.937 -24.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.814 -5.401 -26.293 1.00 0.00 H new