USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 127 GLN : amide:sc= -0.667 X(o=-3,f=-3.2) USER MOD Set 1.2: A 129 HIS : no HD1:sc= -2.33 K(o=-3,f=-7.4) USER MOD Set 2.1: A 103 ASN : amide:sc= -2.9! C(o=-2.9!,f=-5.3!) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 25 ASN : amide:sc= 0 X(o=-5.6,f=-6) USER MOD Set 3.2: A 29 HIS : no HD1:sc= -3.99! C(o=-5.6!,f=-7.3!) USER MOD Set 3.3: A 102 TYR OH : rot 153:sc= -1.59! USER MOD Set 4.1: A 19 ASN : amide:sc= -2.15 K(o=-21,f=-27!) USER MOD Set 4.2: A 55 HIS : no HD1:sc= -14.2! C(o=-21!,f=-23!) USER MOD Set 4.3: A 119 MET CE :methyl -154:sc= -4.7! (180deg=-0.551) USER MOD Set 5.1: A 18 SER OG : rot 26:sc= -0.469 USER MOD Set 5.2: A 54 ASN : amide:sc= -0.114 K(o=-0.58,f=-3.4!) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= -0.865 (180deg=-2.24!) USER MOD Single : A 24 HIS : no HE2:sc= -0.648 K(o=-0.65,f=-1.7) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 110:sc= -0.28 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0901 K(o=-0.09,f=-1.1!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0101 F(o=-0.52,f=-0.01) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.724 K(o=0.72,f=-0.92) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 90:sc= -0.216 USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0287) USER MOD Single : A 66 GLN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 71 TYR OH : rot -16:sc= -1.84 USER MOD Single : A 72 THR OG1 : rot 180:sc=0.000858 USER MOD Single : A 74 SER OG : rot 180:sc= -0.724 USER MOD Single : A 77 THR OG1 : rot 148:sc= 0.396 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 95 MET CE :methyl -163:sc= -0.992 (180deg=-2!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -150:sc= -0.717 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.022) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 175:sc= -3.63 (180deg=-3.86) USER MOD Single : A 118 SER OG : rot 180:sc= -0.56 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 36:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 3.912 3.099 -14.508 1.00 0.00 N ATOM 239 CA SER A 18 3.226 3.682 -13.368 1.00 0.00 C ATOM 240 C SER A 18 2.349 2.628 -12.689 1.00 0.00 C ATOM 241 O SER A 18 1.748 1.790 -13.360 1.00 0.00 O ATOM 242 CB SER A 18 2.379 4.885 -13.790 1.00 0.00 C ATOM 243 OG SER A 18 3.181 5.954 -14.286 1.00 0.00 O ATOM 0 HA SER A 18 3.977 4.031 -12.660 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.669 4.577 -14.558 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.795 5.234 -12.938 1.00 0.00 H new ATOM 0 HG SER A 18 4.021 5.595 -14.642 1.00 0.00 H new ATOM 249 N ASN A 19 2.303 2.704 -11.367 1.00 0.00 N ATOM 250 CA ASN A 19 1.509 1.767 -10.591 1.00 0.00 C ATOM 251 C ASN A 19 0.557 2.544 -9.680 1.00 0.00 C ATOM 252 O ASN A 19 0.533 2.325 -8.470 1.00 0.00 O ATOM 253 CB ASN A 19 2.400 0.892 -9.707 1.00 0.00 C ATOM 254 CG ASN A 19 3.127 1.734 -8.657 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.921 2.607 -8.965 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.813 1.424 -7.402 1.00 0.00 N ATOM 0 H ASN A 19 2.803 3.400 -10.814 1.00 0.00 H new ATOM 0 HA ASN A 19 0.958 1.135 -11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.794 0.132 -9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.128 0.367 -10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.246 1.929 -6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.140 0.681 -7.213 1.00 0.00 H new ATOM 263 N LYS A 20 -0.205 3.435 -10.297 1.00 0.00 N ATOM 264 CA LYS A 20 -1.157 4.246 -9.557 1.00 0.00 C ATOM 265 C LYS A 20 -2.520 3.550 -9.554 1.00 0.00 C ATOM 266 O LYS A 20 -3.150 3.416 -8.506 1.00 0.00 O ATOM 267 CB LYS A 20 -1.196 5.670 -10.115 1.00 0.00 C ATOM 268 CG LYS A 20 -2.352 6.466 -9.506 1.00 0.00 C ATOM 269 CD LYS A 20 -1.914 7.891 -9.160 1.00 0.00 C ATOM 270 CE LYS A 20 -2.979 8.908 -9.577 1.00 0.00 C ATOM 271 NZ LYS A 20 -4.215 8.718 -8.785 1.00 0.00 N ATOM 0 H LYS A 20 -0.183 3.613 -11.301 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.846 4.344 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.252 6.173 -9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.304 5.637 -11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.186 6.498 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.711 5.964 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.731 7.969 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.973 8.118 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.600 9.920 -9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.200 8.798 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.043 8.938 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.272 7.731 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.200 9.352 -7.960 1.00 0.00 H new ATOM 285 N PHE A 21 -2.934 3.125 -10.739 1.00 0.00 N ATOM 286 CA PHE A 21 -4.210 2.446 -10.886 1.00 0.00 C ATOM 287 C PHE A 21 -4.203 1.102 -10.154 1.00 0.00 C ATOM 288 O PHE A 21 -5.260 0.572 -9.812 1.00 0.00 O ATOM 289 CB PHE A 21 -4.415 2.197 -12.381 1.00 0.00 C ATOM 290 CG PHE A 21 -4.727 3.461 -13.185 1.00 0.00 C ATOM 291 CD1 PHE A 21 -3.713 4.209 -13.697 1.00 0.00 C ATOM 292 CD2 PHE A 21 -6.018 3.837 -13.387 1.00 0.00 C ATOM 293 CE1 PHE A 21 -4.002 5.382 -14.443 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.307 5.010 -14.133 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.293 5.758 -14.645 1.00 0.00 C ATOM 0 H PHE A 21 -2.408 3.238 -11.606 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.007 3.057 -10.462 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.517 1.732 -12.788 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.230 1.485 -12.512 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.688 3.911 -13.536 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.823 3.244 -12.980 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.197 5.975 -14.850 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.332 5.308 -14.294 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.513 6.650 -15.212 1.00 0.00 H new ATOM 305 N ILE A 22 -3.001 0.589 -9.935 1.00 0.00 N ATOM 306 CA ILE A 22 -2.844 -0.682 -9.250 1.00 0.00 C ATOM 307 C ILE A 22 -3.071 -0.481 -7.751 1.00 0.00 C ATOM 308 O ILE A 22 -3.532 -1.390 -7.062 1.00 0.00 O ATOM 309 CB ILE A 22 -1.489 -1.308 -9.588 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.293 -1.408 -11.102 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.324 -2.664 -8.898 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.177 -1.649 -11.450 1.00 0.00 C ATOM 0 H ILE A 22 -2.127 1.031 -10.220 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.594 -1.395 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.706 -0.654 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.902 -2.221 -11.498 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.637 -0.490 -11.578 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.353 -3.087 -9.155 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.388 -2.533 -7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.113 -3.339 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.288 -1.716 -12.532 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.780 -0.823 -11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.511 -2.580 -10.992 1.00 0.00 H new ATOM 324 N ILE A 23 -2.738 0.716 -7.290 1.00 0.00 N ATOM 325 CA ILE A 23 -2.900 1.048 -5.884 1.00 0.00 C ATOM 326 C ILE A 23 -4.359 1.428 -5.620 1.00 0.00 C ATOM 327 O ILE A 23 -4.961 0.958 -4.656 1.00 0.00 O ATOM 328 CB ILE A 23 -1.899 2.128 -5.470 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.464 1.602 -5.544 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.235 2.685 -4.085 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.328 0.273 -4.799 1.00 0.00 C ATOM 0 H ILE A 23 -2.357 1.468 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.677 0.183 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.976 2.955 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.175 1.470 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.218 2.335 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.508 3.451 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.234 3.122 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.203 1.880 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.701 -0.079 -4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.595 0.414 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.994 -0.465 -5.247 1.00 0.00 H new ATOM 343 N HIS A 24 -4.884 2.274 -6.493 1.00 0.00 N ATOM 344 CA HIS A 24 -6.260 2.722 -6.365 1.00 0.00 C ATOM 345 C HIS A 24 -7.161 1.528 -6.044 1.00 0.00 C ATOM 346 O HIS A 24 -8.097 1.646 -5.255 1.00 0.00 O ATOM 347 CB HIS A 24 -6.704 3.479 -7.619 1.00 0.00 C ATOM 348 CG HIS A 24 -7.091 4.916 -7.364 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.408 5.332 -7.268 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.322 6.028 -7.185 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.418 6.638 -7.043 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.125 7.067 -6.992 1.00 0.00 N ATOM 0 H HIS A 24 -4.382 2.661 -7.292 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.341 3.427 -5.538 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.896 3.455 -8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.552 2.959 -8.064 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.230 4.735 -7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.242 6.058 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.296 7.254 -6.921 1.00 0.00 H new ATOM 360 N ASN A 25 -6.847 0.405 -6.673 1.00 0.00 N ATOM 361 CA ASN A 25 -7.616 -0.810 -6.464 1.00 0.00 C ATOM 362 C ASN A 25 -7.135 -1.500 -5.186 1.00 0.00 C ATOM 363 O ASN A 25 -7.930 -2.098 -4.463 1.00 0.00 O ATOM 364 CB ASN A 25 -7.431 -1.786 -7.627 1.00 0.00 C ATOM 365 CG ASN A 25 -8.637 -1.754 -8.568 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.547 -2.563 -8.481 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.594 -0.778 -9.470 1.00 0.00 N ATOM 0 H ASN A 25 -6.070 0.311 -7.328 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.668 -0.534 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.527 -1.531 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.294 -2.796 -7.240 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.352 -0.673 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.803 -0.135 -9.488 1.00 0.00 H new ATOM 374 N ALA A 26 -5.836 -1.393 -4.948 1.00 0.00 N ATOM 375 CA ALA A 26 -5.240 -2.000 -3.770 1.00 0.00 C ATOM 376 C ALA A 26 -5.910 -1.435 -2.516 1.00 0.00 C ATOM 377 O ALA A 26 -6.089 -2.147 -1.529 1.00 0.00 O ATOM 378 CB ALA A 26 -3.729 -1.760 -3.782 1.00 0.00 C ATOM 0 H ALA A 26 -5.180 -0.896 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.399 -3.078 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.281 -2.215 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.297 -2.205 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.531 -0.688 -3.778 1.00 0.00 H new ATOM 384 N LEU A 27 -6.262 -0.160 -2.595 1.00 0.00 N ATOM 385 CA LEU A 27 -6.908 0.508 -1.478 1.00 0.00 C ATOM 386 C LEU A 27 -8.336 -0.021 -1.330 1.00 0.00 C ATOM 387 O LEU A 27 -8.750 -0.404 -0.237 1.00 0.00 O ATOM 388 CB LEU A 27 -6.830 2.027 -1.645 1.00 0.00 C ATOM 389 CG LEU A 27 -5.440 2.600 -1.928 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.456 4.129 -1.879 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.398 2.007 -0.976 1.00 0.00 C ATOM 0 H LEU A 27 -6.112 0.428 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.386 0.285 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.494 2.318 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.215 2.493 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.153 2.314 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.455 4.510 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.150 4.510 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.774 4.458 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.419 2.431 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.670 2.242 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.362 0.925 -1.104 1.00 0.00 H new ATOM 403 N SER A 28 -9.050 -0.025 -2.446 1.00 0.00 N ATOM 404 CA SER A 28 -10.423 -0.501 -2.454 1.00 0.00 C ATOM 405 C SER A 28 -10.447 -2.031 -2.417 1.00 0.00 C ATOM 406 O SER A 28 -11.516 -2.639 -2.415 1.00 0.00 O ATOM 407 CB SER A 28 -11.177 0.012 -3.683 1.00 0.00 C ATOM 408 OG SER A 28 -11.726 1.309 -3.469 1.00 0.00 O ATOM 0 H SER A 28 -8.704 0.294 -3.351 1.00 0.00 H new ATOM 0 HA SER A 28 -10.924 -0.114 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.501 0.041 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.978 -0.684 -3.934 1.00 0.00 H new ATOM 0 HG SER A 28 -12.198 1.602 -4.277 1.00 0.00 H new ATOM 414 N HIS A 29 -9.255 -2.609 -2.389 1.00 0.00 N ATOM 415 CA HIS A 29 -9.126 -4.056 -2.352 1.00 0.00 C ATOM 416 C HIS A 29 -9.246 -4.545 -0.908 1.00 0.00 C ATOM 417 O HIS A 29 -9.989 -5.484 -0.627 1.00 0.00 O ATOM 418 CB HIS A 29 -7.825 -4.502 -3.023 1.00 0.00 C ATOM 419 CG HIS A 29 -7.991 -4.926 -4.463 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.278 -5.970 -5.024 1.00 0.00 N ATOM 421 CD2 HIS A 29 -8.796 -4.436 -5.450 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.644 -6.094 -6.292 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.584 -5.142 -6.553 1.00 0.00 N ATOM 0 H HIS A 29 -8.370 -2.102 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.936 -4.512 -2.922 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.105 -3.685 -2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.402 -5.332 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.488 -3.613 -5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.264 -6.821 -6.994 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.048 -4.996 -7.449 1.00 0.00 H new ATOM 431 N CYS A 30 -8.504 -3.886 -0.030 1.00 0.00 N ATOM 432 CA CYS A 30 -8.518 -4.243 1.379 1.00 0.00 C ATOM 433 C CYS A 30 -7.595 -3.279 2.127 1.00 0.00 C ATOM 434 O CYS A 30 -7.904 -2.857 3.241 1.00 0.00 O ATOM 435 CB CYS A 30 -8.116 -5.703 1.597 1.00 0.00 C ATOM 436 SG CYS A 30 -8.571 -6.231 3.289 1.00 0.00 S ATOM 0 H CYS A 30 -7.889 -3.107 -0.267 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.531 -4.152 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.611 -6.339 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.043 -5.820 1.447 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.227 -7.473 3.463 1.00 0.00 H new ATOM 442 N CYS A 31 -6.481 -2.959 1.486 1.00 0.00 N ATOM 443 CA CYS A 31 -5.511 -2.052 2.077 1.00 0.00 C ATOM 444 C CYS A 31 -6.272 -0.937 2.796 1.00 0.00 C ATOM 445 O CYS A 31 -5.956 -0.601 3.937 1.00 0.00 O ATOM 446 CB CYS A 31 -4.542 -1.499 1.030 1.00 0.00 C ATOM 447 SG CYS A 31 -3.344 -2.793 0.540 1.00 0.00 S ATOM 0 H CYS A 31 -6.228 -3.311 0.563 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.895 -2.592 2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.095 -1.155 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.013 -0.635 1.433 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.590 -3.173 -0.678 1.00 0.00 H new ATOM 453 N LEU A 32 -7.260 -0.394 2.100 1.00 0.00 N ATOM 454 CA LEU A 32 -8.069 0.676 2.658 1.00 0.00 C ATOM 455 C LEU A 32 -9.527 0.481 2.238 1.00 0.00 C ATOM 456 O LEU A 32 -10.198 1.436 1.851 1.00 0.00 O ATOM 457 CB LEU A 32 -7.494 2.040 2.270 1.00 0.00 C ATOM 458 CG LEU A 32 -6.200 2.448 2.976 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.515 3.602 2.241 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.459 2.779 4.447 1.00 0.00 C ATOM 0 H LEU A 32 -7.519 -0.675 1.154 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.045 0.643 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.315 2.044 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.249 2.800 2.470 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.516 1.600 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.598 3.873 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.276 3.294 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.183 4.463 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.523 3.066 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.169 3.603 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.870 1.904 4.950 1.00 0.00 H new ATOM 472 N ALA A 33 -9.974 -0.763 2.328 1.00 0.00 N ATOM 473 CA ALA A 33 -11.340 -1.096 1.961 1.00 0.00 C ATOM 474 C ALA A 33 -12.148 -1.380 3.229 1.00 0.00 C ATOM 475 O ALA A 33 -11.744 -2.194 4.058 1.00 0.00 O ATOM 476 CB ALA A 33 -11.335 -2.282 0.995 1.00 0.00 C ATOM 0 H ALA A 33 -9.414 -1.553 2.650 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.814 -0.260 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.360 -2.532 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.773 -2.019 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.869 -3.142 1.477 1.00 0.00 H new ATOM 482 N GLY A 34 -13.276 -0.694 3.339 1.00 0.00 N ATOM 483 CA GLY A 34 -14.145 -0.862 4.491 1.00 0.00 C ATOM 484 C GLY A 34 -14.836 0.454 4.854 1.00 0.00 C ATOM 485 O GLY A 34 -14.735 1.435 4.119 1.00 0.00 O ATOM 0 H GLY A 34 -13.608 -0.020 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.895 -1.624 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.563 -1.218 5.341 1.00 0.00 H new ATOM 489 N LYS A 35 -15.522 0.433 5.987 1.00 0.00 N ATOM 490 CA LYS A 35 -16.229 1.612 6.457 1.00 0.00 C ATOM 491 C LYS A 35 -15.317 2.411 7.390 1.00 0.00 C ATOM 492 O LYS A 35 -15.321 3.641 7.365 1.00 0.00 O ATOM 493 CB LYS A 35 -17.565 1.219 7.091 1.00 0.00 C ATOM 494 CG LYS A 35 -18.544 2.395 7.082 1.00 0.00 C ATOM 495 CD LYS A 35 -19.985 1.908 6.920 1.00 0.00 C ATOM 496 CE LYS A 35 -20.931 2.679 7.842 1.00 0.00 C ATOM 497 NZ LYS A 35 -21.997 3.339 7.057 1.00 0.00 N ATOM 0 H LYS A 35 -15.603 -0.383 6.594 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.479 2.264 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.996 0.378 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.401 0.886 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.449 2.959 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.293 3.076 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.300 2.032 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.040 0.843 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.375 1.998 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.371 3.425 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.630 3.858 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.569 4.003 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.542 2.621 6.539 1.00 0.00 H new ATOM 511 N VAL A 36 -14.556 1.679 8.191 1.00 0.00 N ATOM 512 CA VAL A 36 -13.641 2.304 9.130 1.00 0.00 C ATOM 513 C VAL A 36 -12.648 3.179 8.362 1.00 0.00 C ATOM 514 O VAL A 36 -12.315 4.279 8.801 1.00 0.00 O ATOM 515 CB VAL A 36 -12.959 1.235 9.986 1.00 0.00 C ATOM 516 CG1 VAL A 36 -11.441 1.268 9.798 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.332 1.394 11.461 1.00 0.00 C ATOM 0 H VAL A 36 -14.555 0.659 8.209 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.183 2.954 9.817 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.317 0.261 9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.981 0.498 10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.200 1.083 8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.059 2.246 10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.834 0.622 12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.017 2.376 11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.412 1.297 11.576 1.00 0.00 H new ATOM 527 N ASN A 37 -12.201 2.657 7.229 1.00 0.00 N ATOM 528 CA ASN A 37 -11.253 3.376 6.396 1.00 0.00 C ATOM 529 C ASN A 37 -12.001 4.054 5.247 1.00 0.00 C ATOM 530 O ASN A 37 -11.479 4.161 4.138 1.00 0.00 O ATOM 531 CB ASN A 37 -10.219 2.424 5.790 1.00 0.00 C ATOM 532 CG ASN A 37 -9.135 2.071 6.810 1.00 0.00 C ATOM 533 OD1 ASN A 37 -8.751 2.870 7.648 1.00 0.00 O ATOM 534 ND2 ASN A 37 -8.663 0.833 6.692 1.00 0.00 N ATOM 0 H ASN A 37 -12.478 1.744 6.869 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.745 4.110 7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.713 1.514 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.763 2.886 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.936 0.502 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.029 0.215 5.968 1.00 0.00 H new ATOM 541 N GLU A 38 -13.213 4.496 5.552 1.00 0.00 N ATOM 542 CA GLU A 38 -14.039 5.161 4.558 1.00 0.00 C ATOM 543 C GLU A 38 -13.599 6.617 4.392 1.00 0.00 C ATOM 544 O GLU A 38 -13.538 7.127 3.274 1.00 0.00 O ATOM 545 CB GLU A 38 -15.520 5.075 4.930 1.00 0.00 C ATOM 546 CG GLU A 38 -16.396 5.692 3.838 1.00 0.00 C ATOM 547 CD GLU A 38 -17.715 6.207 4.419 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.606 5.360 4.641 1.00 0.00 O ATOM 549 OE2 GLU A 38 -17.801 7.437 4.628 1.00 0.00 O ATOM 0 H GLU A 38 -13.642 4.407 6.473 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.908 4.651 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.801 4.033 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.692 5.591 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.861 6.512 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.600 4.949 3.067 1.00 0.00 H new ATOM 556 N PRO A 39 -13.297 7.263 5.551 1.00 0.00 N ATOM 557 CA PRO A 39 -12.866 8.650 5.544 1.00 0.00 C ATOM 558 C PRO A 39 -11.420 8.772 5.059 1.00 0.00 C ATOM 559 O PRO A 39 -11.091 9.680 4.297 1.00 0.00 O ATOM 560 CB PRO A 39 -13.054 9.128 6.975 1.00 0.00 C ATOM 561 CG PRO A 39 -13.142 7.871 7.825 1.00 0.00 C ATOM 562 CD PRO A 39 -13.359 6.691 6.892 1.00 0.00 C ATOM 0 HA PRO A 39 -13.442 9.266 4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.220 9.755 7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.959 9.729 7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.228 7.737 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.962 7.949 8.538 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.593 5.928 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.322 6.213 7.075 1.00 0.00 H new ATOM 570 N GLN A 40 -10.594 7.844 5.520 1.00 0.00 N ATOM 571 CA GLN A 40 -9.191 7.836 5.143 1.00 0.00 C ATOM 572 C GLN A 40 -9.041 7.469 3.665 1.00 0.00 C ATOM 573 O GLN A 40 -8.462 8.228 2.889 1.00 0.00 O ATOM 574 CB GLN A 40 -8.390 6.880 6.029 1.00 0.00 C ATOM 575 CG GLN A 40 -7.214 6.275 5.260 1.00 0.00 C ATOM 576 CD GLN A 40 -6.059 5.934 6.204 1.00 0.00 C ATOM 577 OE1 GLN A 40 -5.110 6.864 6.254 1.00 0.00 O flip ATOM 578 NE2 GLN A 40 -6.032 4.896 6.844 1.00 0.00 N flip ATOM 0 H GLN A 40 -10.870 7.092 6.152 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.790 8.838 5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.020 7.414 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.040 6.084 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.540 5.375 4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.872 6.977 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.795 4.224 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.247 4.700 7.465 1.00 0.00 H new ATOM 587 N LYS A 41 -9.572 6.305 3.320 1.00 0.00 N ATOM 588 CA LYS A 41 -9.504 5.829 1.949 1.00 0.00 C ATOM 589 C LYS A 41 -9.667 7.012 0.994 1.00 0.00 C ATOM 590 O LYS A 41 -8.806 7.257 0.150 1.00 0.00 O ATOM 591 CB LYS A 41 -10.522 4.709 1.720 1.00 0.00 C ATOM 592 CG LYS A 41 -10.647 4.378 0.232 1.00 0.00 C ATOM 593 CD LYS A 41 -11.904 3.549 -0.041 1.00 0.00 C ATOM 594 CE LYS A 41 -13.153 4.253 0.493 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.371 3.694 -0.133 1.00 0.00 N ATOM 0 H LYS A 41 -10.051 5.678 3.966 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.528 5.388 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.218 3.818 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.493 5.010 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.682 5.300 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.765 3.828 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.007 3.381 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.806 2.569 0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.208 4.138 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.090 5.322 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.209 4.183 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.324 3.826 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.438 2.679 0.083 1.00 0.00 H new ATOM 609 N ASN A 42 -10.777 7.716 1.158 1.00 0.00 N ATOM 610 CA ASN A 42 -11.064 8.868 0.320 1.00 0.00 C ATOM 611 C ASN A 42 -9.855 9.806 0.319 1.00 0.00 C ATOM 612 O ASN A 42 -9.378 10.209 -0.741 1.00 0.00 O ATOM 613 CB ASN A 42 -12.268 9.649 0.851 1.00 0.00 C ATOM 614 CG ASN A 42 -13.578 9.072 0.310 1.00 0.00 C ATOM 615 OD1 ASN A 42 -13.990 9.340 -0.806 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.207 8.268 1.163 1.00 0.00 N ATOM 0 H ASN A 42 -11.489 7.511 1.859 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.283 8.508 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.275 9.617 1.941 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.182 10.697 0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.091 7.833 0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.806 8.086 2.083 1.00 0.00 H new ATOM 623 N ARG A 43 -9.394 10.126 1.519 1.00 0.00 N ATOM 624 CA ARG A 43 -8.249 11.009 1.670 1.00 0.00 C ATOM 625 C ARG A 43 -7.060 10.479 0.866 1.00 0.00 C ATOM 626 O ARG A 43 -6.291 11.256 0.304 1.00 0.00 O ATOM 627 CB ARG A 43 -7.845 11.140 3.140 1.00 0.00 C ATOM 628 CG ARG A 43 -8.833 12.023 3.904 1.00 0.00 C ATOM 629 CD ARG A 43 -8.189 13.353 4.297 1.00 0.00 C ATOM 630 NE ARG A 43 -9.158 14.184 5.046 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.080 15.517 5.154 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.077 16.179 4.562 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.005 16.188 5.854 1.00 0.00 N ATOM 0 H ARG A 43 -9.792 9.790 2.396 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.536 11.991 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.805 10.152 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.844 11.565 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.712 12.209 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.175 11.502 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.305 13.172 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.857 13.883 3.404 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.934 13.712 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.373 15.668 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.017 17.194 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.769 15.684 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.945 17.203 5.936 1.00 0.00 H new ATOM 647 N ILE A 44 -6.948 9.159 0.837 1.00 0.00 N ATOM 648 CA ILE A 44 -5.866 8.516 0.111 1.00 0.00 C ATOM 649 C ILE A 44 -6.104 8.668 -1.392 1.00 0.00 C ATOM 650 O ILE A 44 -5.206 9.072 -2.129 1.00 0.00 O ATOM 651 CB ILE A 44 -5.706 7.063 0.564 1.00 0.00 C ATOM 652 CG1 ILE A 44 -5.723 6.960 2.091 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.447 6.436 -0.039 1.00 0.00 C ATOM 654 CD1 ILE A 44 -4.929 8.103 2.727 1.00 0.00 C ATOM 0 H ILE A 44 -7.589 8.517 1.304 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.916 9.002 0.334 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.558 6.494 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.752 6.984 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.301 6.004 2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.357 5.404 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.515 6.457 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.571 7.000 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.957 8.006 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.895 8.061 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.369 9.057 2.437 1.00 0.00 H new ATOM 666 N LEU A 45 -7.320 8.337 -1.803 1.00 0.00 N ATOM 667 CA LEU A 45 -7.688 8.433 -3.205 1.00 0.00 C ATOM 668 C LEU A 45 -7.395 9.847 -3.710 1.00 0.00 C ATOM 669 O LEU A 45 -6.767 10.020 -4.753 1.00 0.00 O ATOM 670 CB LEU A 45 -9.140 7.995 -3.409 1.00 0.00 C ATOM 671 CG LEU A 45 -9.500 6.603 -2.888 1.00 0.00 C ATOM 672 CD1 LEU A 45 -11.017 6.433 -2.779 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.863 5.512 -3.751 1.00 0.00 C ATOM 0 H LEU A 45 -8.063 8.002 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.086 7.750 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.790 8.722 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.363 8.031 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.091 6.499 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.245 5.435 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.418 7.178 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.470 6.566 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.135 4.532 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.221 5.604 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.779 5.621 -3.734 1.00 0.00 H new ATOM 685 N GLU A 46 -7.865 10.823 -2.946 1.00 0.00 N ATOM 686 CA GLU A 46 -7.662 12.216 -3.303 1.00 0.00 C ATOM 687 C GLU A 46 -6.174 12.569 -3.238 1.00 0.00 C ATOM 688 O GLU A 46 -5.621 13.119 -4.189 1.00 0.00 O ATOM 689 CB GLU A 46 -8.484 13.139 -2.401 1.00 0.00 C ATOM 690 CG GLU A 46 -9.904 12.600 -2.214 1.00 0.00 C ATOM 691 CD GLU A 46 -10.934 13.541 -2.841 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.693 13.960 -3.994 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.940 13.821 -2.154 1.00 0.00 O ATOM 0 H GLU A 46 -8.386 10.676 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.006 12.362 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.996 13.234 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.524 14.137 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.985 11.612 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.115 12.481 -1.151 1.00 0.00 H new ATOM 700 N GLU A 47 -5.569 12.239 -2.106 1.00 0.00 N ATOM 701 CA GLU A 47 -4.157 12.514 -1.905 1.00 0.00 C ATOM 702 C GLU A 47 -3.343 12.016 -3.101 1.00 0.00 C ATOM 703 O GLU A 47 -2.573 12.772 -3.691 1.00 0.00 O ATOM 704 CB GLU A 47 -3.656 11.887 -0.602 1.00 0.00 C ATOM 705 CG GLU A 47 -3.995 12.773 0.598 1.00 0.00 C ATOM 706 CD GLU A 47 -3.130 14.035 0.610 1.00 0.00 C ATOM 707 OE1 GLU A 47 -1.891 13.874 0.563 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.727 15.131 0.665 1.00 0.00 O ATOM 0 H GLU A 47 -6.031 11.784 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.025 13.593 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.106 10.903 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.577 11.739 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.049 13.050 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.842 12.214 1.522 1.00 0.00 H new ATOM 715 N ILE A 48 -3.542 10.746 -3.424 1.00 0.00 N ATOM 716 CA ILE A 48 -2.836 10.138 -4.539 1.00 0.00 C ATOM 717 C ILE A 48 -3.138 10.923 -5.817 1.00 0.00 C ATOM 718 O ILE A 48 -2.226 11.281 -6.560 1.00 0.00 O ATOM 719 CB ILE A 48 -3.173 8.649 -4.638 1.00 0.00 C ATOM 720 CG1 ILE A 48 -2.843 7.924 -3.331 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.476 8.008 -5.840 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.594 6.594 -3.237 1.00 0.00 C ATOM 0 H ILE A 48 -4.182 10.122 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.759 10.188 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.247 8.552 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.770 7.745 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.108 8.556 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.732 6.950 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.802 8.502 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.396 8.116 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.342 6.099 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.668 6.779 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.308 5.955 -4.073 1.00 0.00 H new ATOM 734 N GLU A 49 -4.422 11.167 -6.034 1.00 0.00 N ATOM 735 CA GLU A 49 -4.856 11.903 -7.209 1.00 0.00 C ATOM 736 C GLU A 49 -4.261 13.313 -7.203 1.00 0.00 C ATOM 737 O GLU A 49 -4.003 13.886 -8.260 1.00 0.00 O ATOM 738 CB GLU A 49 -6.383 11.953 -7.292 1.00 0.00 C ATOM 739 CG GLU A 49 -6.966 10.557 -7.518 1.00 0.00 C ATOM 740 CD GLU A 49 -8.455 10.520 -7.165 1.00 0.00 C ATOM 741 OE1 GLU A 49 -8.760 10.728 -5.971 1.00 0.00 O ATOM 742 OE2 GLU A 49 -9.253 10.285 -8.097 1.00 0.00 O ATOM 0 H GLU A 49 -5.176 10.868 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.494 11.381 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.787 12.375 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.685 12.613 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.828 10.266 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.426 9.831 -6.910 1.00 0.00 H new ATOM 749 N LYS A 50 -4.060 13.830 -6.000 1.00 0.00 N ATOM 750 CA LYS A 50 -3.500 15.161 -5.842 1.00 0.00 C ATOM 751 C LYS A 50 -1.976 15.086 -5.958 1.00 0.00 C ATOM 752 O LYS A 50 -1.325 16.078 -6.280 1.00 0.00 O ATOM 753 CB LYS A 50 -3.987 15.796 -4.537 1.00 0.00 C ATOM 754 CG LYS A 50 -2.847 15.904 -3.522 1.00 0.00 C ATOM 755 CD LYS A 50 -3.364 16.396 -2.168 1.00 0.00 C ATOM 756 CE LYS A 50 -4.319 17.578 -2.343 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.236 18.488 -1.178 1.00 0.00 N ATOM 0 H LYS A 50 -4.275 13.351 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.849 15.818 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.393 16.787 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.797 15.199 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.369 14.932 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.086 16.589 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.876 15.583 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.524 16.692 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.071 18.121 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.340 17.214 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.890 19.285 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.494 17.970 -0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.265 18.849 -1.088 1.00 0.00 H new ATOM 771 N SER A 51 -1.452 13.899 -5.689 1.00 0.00 N ATOM 772 CA SER A 51 -0.017 13.682 -5.760 1.00 0.00 C ATOM 773 C SER A 51 0.442 13.689 -7.219 1.00 0.00 C ATOM 774 O SER A 51 -0.262 13.195 -8.098 1.00 0.00 O ATOM 775 CB SER A 51 0.373 12.364 -5.087 1.00 0.00 C ATOM 776 OG SER A 51 1.630 11.879 -5.553 1.00 0.00 O ATOM 0 H SER A 51 -1.995 13.078 -5.422 1.00 0.00 H new ATOM 0 HA SER A 51 0.479 14.493 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.417 12.507 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.398 11.617 -5.278 1.00 0.00 H new ATOM 0 HG SER A 51 2.348 12.238 -4.991 1.00 0.00 H new ATOM 782 N LYS A 52 1.620 14.256 -7.432 1.00 0.00 N ATOM 783 CA LYS A 52 2.182 14.335 -8.770 1.00 0.00 C ATOM 784 C LYS A 52 3.182 13.194 -8.966 1.00 0.00 C ATOM 785 O LYS A 52 4.147 13.332 -9.716 1.00 0.00 O ATOM 786 CB LYS A 52 2.775 15.723 -9.021 1.00 0.00 C ATOM 787 CG LYS A 52 1.913 16.518 -10.004 1.00 0.00 C ATOM 788 CD LYS A 52 2.376 16.294 -11.445 1.00 0.00 C ATOM 789 CE LYS A 52 2.078 17.518 -12.313 1.00 0.00 C ATOM 790 NZ LYS A 52 3.067 18.589 -12.056 1.00 0.00 N ATOM 0 H LYS A 52 2.201 14.665 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 52 1.401 14.207 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.852 16.265 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.786 15.624 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.870 16.219 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.965 17.580 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.446 16.086 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.876 15.419 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.101 17.239 -13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.073 17.885 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.623 19.516 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.400 18.525 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.874 18.479 -12.703 1.00 0.00 H new ATOM 804 N ALA A 53 2.917 12.093 -8.279 1.00 0.00 N ATOM 805 CA ALA A 53 3.782 10.929 -8.369 1.00 0.00 C ATOM 806 C ALA A 53 3.005 9.768 -8.992 1.00 0.00 C ATOM 807 O ALA A 53 1.780 9.712 -8.893 1.00 0.00 O ATOM 808 CB ALA A 53 4.325 10.587 -6.979 1.00 0.00 C ATOM 0 H ALA A 53 2.116 11.982 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 53 4.637 11.136 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.974 9.714 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.894 11.433 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.494 10.371 -6.307 1.00 0.00 H new ATOM 814 N ASN A 54 3.749 8.870 -9.622 1.00 0.00 N ATOM 815 CA ASN A 54 3.145 7.714 -10.261 1.00 0.00 C ATOM 816 C ASN A 54 3.556 6.447 -9.509 1.00 0.00 C ATOM 817 O ASN A 54 2.969 5.384 -9.708 1.00 0.00 O ATOM 818 CB ASN A 54 3.616 7.577 -11.710 1.00 0.00 C ATOM 819 CG ASN A 54 5.103 7.916 -11.837 1.00 0.00 C ATOM 820 OD1 ASN A 54 5.537 9.025 -11.574 1.00 0.00 O ATOM 821 ND2 ASN A 54 5.856 6.903 -12.255 1.00 0.00 N ATOM 0 H ASN A 54 4.765 8.920 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 54 2.063 7.847 -10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.440 6.559 -12.059 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.032 8.239 -12.350 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.861 7.029 -12.373 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.428 5.999 -12.458 1.00 0.00 H new ATOM 828 N HIS A 55 4.561 6.601 -8.659 1.00 0.00 N ATOM 829 CA HIS A 55 5.057 5.483 -7.875 1.00 0.00 C ATOM 830 C HIS A 55 4.591 5.625 -6.425 1.00 0.00 C ATOM 831 O HIS A 55 5.073 6.491 -5.696 1.00 0.00 O ATOM 832 CB HIS A 55 6.578 5.365 -8.000 1.00 0.00 C ATOM 833 CG HIS A 55 7.103 3.964 -7.798 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.412 3.607 -8.072 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.484 2.836 -7.345 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.562 2.320 -7.794 1.00 0.00 C ATOM 837 NE2 HIS A 55 7.366 1.844 -7.344 1.00 0.00 N ATOM 0 H HIS A 55 5.045 7.484 -8.496 1.00 0.00 H new ATOM 0 HA HIS A 55 4.645 4.551 -8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.880 5.716 -8.987 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.045 6.026 -7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.451 2.762 -7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.472 1.748 -7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.180 0.884 -7.054 1.00 0.00 H new ATOM 845 N PHE A 56 3.658 4.762 -6.050 1.00 0.00 N ATOM 846 CA PHE A 56 3.121 4.780 -4.701 1.00 0.00 C ATOM 847 C PHE A 56 3.411 3.464 -3.977 1.00 0.00 C ATOM 848 O PHE A 56 3.808 2.482 -4.602 1.00 0.00 O ATOM 849 CB PHE A 56 1.606 4.958 -4.824 1.00 0.00 C ATOM 850 CG PHE A 56 1.187 6.221 -5.578 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.169 6.227 -6.938 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.832 7.339 -4.889 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.780 7.400 -7.638 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.443 8.511 -5.589 1.00 0.00 C ATOM 855 CZ PHE A 56 0.425 8.517 -6.949 1.00 0.00 C ATOM 0 H PHE A 56 3.260 4.046 -6.658 1.00 0.00 H new ATOM 0 HA PHE A 56 3.580 5.587 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.188 4.089 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.171 4.983 -3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.451 5.340 -7.486 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.846 7.335 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.766 7.405 -8.718 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.161 9.398 -5.041 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.129 9.409 -7.481 1.00 0.00 H new ATOM 865 N LEU A 57 3.200 3.486 -2.669 1.00 0.00 N ATOM 866 CA LEU A 57 3.434 2.306 -1.854 1.00 0.00 C ATOM 867 C LEU A 57 2.572 2.384 -0.592 1.00 0.00 C ATOM 868 O LEU A 57 2.281 3.473 -0.101 1.00 0.00 O ATOM 869 CB LEU A 57 4.928 2.140 -1.568 1.00 0.00 C ATOM 870 CG LEU A 57 5.798 1.736 -2.760 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.341 2.969 -3.485 1.00 0.00 C ATOM 872 CD2 LEU A 57 6.917 0.787 -2.325 1.00 0.00 C ATOM 0 H LEU A 57 2.870 4.302 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 57 3.134 1.406 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.308 3.080 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.047 1.390 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 57 5.174 1.194 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.956 2.654 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.510 3.573 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.945 3.560 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.521 0.515 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.546 1.281 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.482 -0.112 -1.889 1.00 0.00 H new ATOM 884 N ILE A 58 2.186 1.214 -0.105 1.00 0.00 N ATOM 885 CA ILE A 58 1.362 1.136 1.090 1.00 0.00 C ATOM 886 C ILE A 58 2.252 0.836 2.298 1.00 0.00 C ATOM 887 O ILE A 58 3.037 -0.110 2.276 1.00 0.00 O ATOM 888 CB ILE A 58 0.230 0.126 0.895 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.895 0.721 0.044 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.282 -0.391 2.241 1.00 0.00 C ATOM 891 CD1 ILE A 58 -1.166 -0.143 -1.189 1.00 0.00 C ATOM 0 H ILE A 58 2.428 0.312 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 58 0.875 2.092 1.281 1.00 0.00 H new ATOM 0 HB ILE A 58 0.627 -0.731 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.803 0.803 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.626 1.730 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.086 -1.107 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.532 -0.878 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.657 0.444 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.969 0.302 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.263 -0.203 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.459 -1.145 -0.874 1.00 0.00 H new ATOM 903 N LEU A 59 2.098 1.660 3.325 1.00 0.00 N ATOM 904 CA LEU A 59 2.877 1.495 4.540 1.00 0.00 C ATOM 905 C LEU A 59 2.117 0.587 5.509 1.00 0.00 C ATOM 906 O LEU A 59 1.065 0.964 6.023 1.00 0.00 O ATOM 907 CB LEU A 59 3.241 2.858 5.132 1.00 0.00 C ATOM 908 CG LEU A 59 4.194 2.836 6.329 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.574 2.316 5.922 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.273 4.213 6.992 1.00 0.00 C ATOM 0 H LEU A 59 1.445 2.444 3.340 1.00 0.00 H new ATOM 0 HA LEU A 59 3.825 1.005 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.690 3.465 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.321 3.358 5.434 1.00 0.00 H new ATOM 0 HG LEU A 59 3.795 2.144 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.232 2.311 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.480 1.303 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.995 2.964 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.957 4.170 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.636 4.944 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.283 4.507 7.339 1.00 0.00 H new ATOM 922 N PHE A 60 2.679 -0.593 5.729 1.00 0.00 N ATOM 923 CA PHE A 60 2.067 -1.557 6.627 1.00 0.00 C ATOM 924 C PHE A 60 2.698 -1.487 8.019 1.00 0.00 C ATOM 925 O PHE A 60 3.575 -0.661 8.266 1.00 0.00 O ATOM 926 CB PHE A 60 2.323 -2.945 6.034 1.00 0.00 C ATOM 927 CG PHE A 60 1.836 -3.105 4.592 1.00 0.00 C ATOM 928 CD1 PHE A 60 2.593 -2.638 3.563 1.00 0.00 C ATOM 929 CD2 PHE A 60 0.646 -3.714 4.340 1.00 0.00 C ATOM 930 CE1 PHE A 60 2.141 -2.786 2.225 1.00 0.00 C ATOM 931 CE2 PHE A 60 0.194 -3.862 3.002 1.00 0.00 C ATOM 932 CZ PHE A 60 0.951 -3.395 1.973 1.00 0.00 C ATOM 0 H PHE A 60 3.551 -0.903 5.301 1.00 0.00 H new ATOM 0 HA PHE A 60 1.002 -1.347 6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.392 -3.153 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.831 -3.692 6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.538 -2.155 3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.045 -4.085 5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.742 -2.415 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.751 -4.345 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.607 -3.508 0.955 1.00 0.00 H new ATOM 942 N ARG A 61 2.225 -2.364 8.893 1.00 0.00 N ATOM 943 CA ARG A 61 2.732 -2.412 10.254 1.00 0.00 C ATOM 944 C ARG A 61 3.819 -3.481 10.379 1.00 0.00 C ATOM 945 O ARG A 61 4.738 -3.346 11.185 1.00 0.00 O ATOM 946 CB ARG A 61 1.610 -2.716 11.248 1.00 0.00 C ATOM 947 CG ARG A 61 1.909 -2.101 12.617 1.00 0.00 C ATOM 948 CD ARG A 61 2.791 -3.029 13.454 1.00 0.00 C ATOM 949 NE ARG A 61 2.654 -2.699 14.890 1.00 0.00 N ATOM 950 CZ ARG A 61 3.254 -3.377 15.878 1.00 0.00 C ATOM 951 NH1 ARG A 61 4.036 -4.427 15.591 1.00 0.00 N ATOM 952 NH2 ARG A 61 3.071 -3.006 17.153 1.00 0.00 N ATOM 0 H ARG A 61 1.496 -3.047 8.685 1.00 0.00 H new ATOM 0 HA ARG A 61 3.153 -1.434 10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.666 -2.325 10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.490 -3.795 11.348 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.407 -1.140 12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.975 -1.908 13.145 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.506 -4.067 13.282 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.832 -2.929 13.147 1.00 0.00 H new ATOM 0 HE ARG A 61 2.066 -1.905 15.144 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.174 -4.710 14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.493 -4.943 16.343 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.475 -2.208 17.371 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.528 -3.522 17.905 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.857 -4.687 7.452 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.835 -3.613 7.454 1.00 0.00 C ATOM 1013 C GLN A 66 -2.171 -2.290 7.066 1.00 0.00 C ATOM 1014 O GLN A 66 -1.048 -2.010 7.482 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.524 -3.502 8.816 1.00 0.00 C ATOM 1016 CG GLN A 66 -4.542 -4.628 9.008 1.00 0.00 C ATOM 1017 CD GLN A 66 -5.767 -4.133 9.780 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -5.987 -4.472 10.931 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -6.551 -3.315 9.083 1.00 0.00 N ATOM 0 HA GLN A 66 -3.601 -3.844 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.778 -3.542 9.610 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.024 -2.537 8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.851 -5.013 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.078 -5.455 9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.308 -3.072 8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.395 -2.931 9.509 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.894 -1.512 6.274 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.389 -0.225 5.825 1.00 0.00 C ATOM 1030 C PHE A 67 -2.297 0.764 6.989 1.00 0.00 C ATOM 1031 O PHE A 67 -3.234 0.892 7.775 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.384 0.310 4.794 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.106 1.748 4.350 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.540 2.790 5.108 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.426 1.983 3.196 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -3.282 4.124 4.696 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.168 3.317 2.783 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.602 4.360 3.542 1.00 0.00 C ATOM 0 H PHE A 67 -3.825 -1.748 5.932 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.391 -0.343 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.369 -0.339 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.389 0.258 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.081 2.603 6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.082 1.155 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.626 4.951 5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.628 3.504 1.867 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.406 5.375 3.228 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.158 1.437 7.063 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.931 2.410 8.117 1.00 0.00 C ATOM 1050 C ARG A 68 -0.889 3.824 7.534 1.00 0.00 C ATOM 1051 O ARG A 68 -1.285 4.784 8.195 1.00 0.00 O ATOM 1052 CB ARG A 68 0.381 2.130 8.852 1.00 0.00 C ATOM 1053 CG ARG A 68 0.146 1.241 10.075 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.382 2.061 11.255 1.00 0.00 C ATOM 1055 NE ARG A 68 -0.324 1.257 12.496 1.00 0.00 N ATOM 1056 CZ ARG A 68 -0.872 1.631 13.660 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -1.522 2.799 13.749 1.00 0.00 N ATOM 1058 NH2 ARG A 68 -0.769 0.837 14.735 1.00 0.00 N ATOM 0 H ARG A 68 -0.382 1.327 6.410 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.755 2.330 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.085 1.645 8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.835 3.071 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.567 0.455 9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.077 0.750 10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.210 2.969 11.372 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.408 2.373 11.062 1.00 0.00 H new ATOM 0 HE ARG A 68 0.164 0.362 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.600 3.403 12.931 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.939 3.084 14.635 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.273 -0.052 14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.186 1.122 15.621 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.406 3.909 6.304 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.307 5.189 5.624 1.00 0.00 C ATOM 1074 C ALA A 69 0.151 4.963 4.182 1.00 0.00 C ATOM 1075 O ALA A 69 0.753 3.936 3.873 1.00 0.00 O ATOM 1076 CB ALA A 69 0.640 6.107 6.400 1.00 0.00 C ATOM 0 H ALA A 69 -0.078 3.111 5.760 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.280 5.680 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.715 7.068 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.254 6.260 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.627 5.648 6.456 1.00 0.00 H new ATOM 1082 N LEU A 70 -0.152 5.939 3.339 1.00 0.00 N ATOM 1083 CA LEU A 70 0.221 5.859 1.937 1.00 0.00 C ATOM 1084 C LEU A 70 1.390 6.809 1.670 1.00 0.00 C ATOM 1085 O LEU A 70 1.431 7.914 2.208 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.995 6.113 1.043 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.759 5.983 -0.463 1.00 0.00 C ATOM 1088 CD1 LEU A 70 0.077 7.152 -0.989 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.133 4.631 -0.806 1.00 0.00 C ATOM 0 H LEU A 70 -0.651 6.789 3.600 1.00 0.00 H new ATOM 0 HA LEU A 70 0.564 4.854 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.783 5.416 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.368 7.117 1.247 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.726 6.026 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.231 7.036 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.446 8.089 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.043 7.165 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.024 4.565 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.824 4.532 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.800 3.830 -0.487 1.00 0.00 H new ATOM 1101 N TYR A 71 2.310 6.345 0.838 1.00 0.00 N ATOM 1102 CA TYR A 71 3.477 7.140 0.493 1.00 0.00 C ATOM 1103 C TYR A 71 3.741 7.100 -1.014 1.00 0.00 C ATOM 1104 O TYR A 71 3.175 6.272 -1.725 1.00 0.00 O ATOM 1105 CB TYR A 71 4.657 6.495 1.222 1.00 0.00 C ATOM 1106 CG TYR A 71 4.695 6.787 2.724 1.00 0.00 C ATOM 1107 CD1 TYR A 71 3.733 6.251 3.555 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.691 7.587 3.246 1.00 0.00 C ATOM 1109 CE1 TYR A 71 3.769 6.526 4.969 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.727 7.861 4.660 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.764 7.317 5.451 1.00 0.00 C ATOM 1112 OH TYR A 71 4.797 7.577 6.786 1.00 0.00 O ATOM 0 H TYR A 71 2.271 5.428 0.392 1.00 0.00 H new ATOM 0 HA TYR A 71 3.329 8.182 0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.617 5.416 1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.585 6.845 0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.953 5.626 3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.443 8.007 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.022 6.113 5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.501 8.484 5.082 1.00 0.00 H new ATOM 0 HH TYR A 71 3.931 7.350 7.185 1.00 0.00 H new ATOM 1122 N THR A 72 4.601 8.006 -1.455 1.00 0.00 N ATOM 1123 CA THR A 72 4.947 8.086 -2.864 1.00 0.00 C ATOM 1124 C THR A 72 6.458 7.942 -3.051 1.00 0.00 C ATOM 1125 O THR A 72 7.238 8.614 -2.378 1.00 0.00 O ATOM 1126 CB THR A 72 4.389 9.400 -3.415 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.542 10.320 -2.338 1.00 0.00 O ATOM 1128 CG2 THR A 72 2.877 9.344 -3.645 1.00 0.00 C ATOM 0 H THR A 72 5.069 8.691 -0.861 1.00 0.00 H new ATOM 0 HA THR A 72 4.502 7.266 -3.427 1.00 0.00 H new ATOM 0 HB THR A 72 4.890 9.642 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.206 11.200 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.533 10.301 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.647 8.555 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.373 9.135 -2.701 1.00 0.00 H new ATOM 1136 N LEU A 73 6.827 7.060 -3.969 1.00 0.00 N ATOM 1137 CA LEU A 73 8.232 6.819 -4.253 1.00 0.00 C ATOM 1138 C LEU A 73 8.748 7.901 -5.203 1.00 0.00 C ATOM 1139 O LEU A 73 8.068 8.270 -6.159 1.00 0.00 O ATOM 1140 CB LEU A 73 8.436 5.395 -4.773 1.00 0.00 C ATOM 1141 CG LEU A 73 9.826 5.077 -5.328 1.00 0.00 C ATOM 1142 CD1 LEU A 73 10.921 5.590 -4.392 1.00 0.00 C ATOM 1143 CD2 LEU A 73 9.972 3.581 -5.616 1.00 0.00 C ATOM 0 H LEU A 73 6.178 6.504 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 73 8.823 6.888 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.222 4.699 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.702 5.207 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 73 9.943 5.601 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.899 5.351 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.828 6.670 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.818 5.115 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.969 3.382 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.826 3.017 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.225 3.277 -6.349 1.00 0.00 H new ATOM 1155 N SER A 74 9.948 8.380 -4.907 1.00 0.00 N ATOM 1156 CA SER A 74 10.564 9.412 -5.723 1.00 0.00 C ATOM 1157 C SER A 74 11.278 8.778 -6.918 1.00 0.00 C ATOM 1158 O SER A 74 12.204 7.986 -6.744 1.00 0.00 O ATOM 1159 CB SER A 74 11.545 10.251 -4.902 1.00 0.00 C ATOM 1160 OG SER A 74 11.114 11.603 -4.774 1.00 0.00 O ATOM 0 H SER A 74 10.510 8.072 -4.113 1.00 0.00 H new ATOM 0 HA SER A 74 9.778 10.074 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.657 9.811 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.527 10.227 -5.375 1.00 0.00 H new ATOM 0 HG SER A 74 11.766 12.105 -4.242 1.00 0.00 H new ATOM 1166 N GLY A 75 10.822 9.149 -8.105 1.00 0.00 N ATOM 1167 CA GLY A 75 11.406 8.626 -9.329 1.00 0.00 C ATOM 1168 C GLY A 75 12.821 9.170 -9.536 1.00 0.00 C ATOM 1169 O GLY A 75 13.594 8.617 -10.318 1.00 0.00 O ATOM 0 H GLY A 75 10.054 9.806 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.433 7.537 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.780 8.897 -10.180 1.00 0.00 H new ATOM 1173 N GLU A 76 13.118 10.246 -8.823 1.00 0.00 N ATOM 1174 CA GLU A 76 14.427 10.870 -8.919 1.00 0.00 C ATOM 1175 C GLU A 76 15.474 10.023 -8.193 1.00 0.00 C ATOM 1176 O GLU A 76 16.640 10.003 -8.583 1.00 0.00 O ATOM 1177 CB GLU A 76 14.396 12.297 -8.366 1.00 0.00 C ATOM 1178 CG GLU A 76 14.018 12.302 -6.884 1.00 0.00 C ATOM 1179 CD GLU A 76 12.694 13.034 -6.658 1.00 0.00 C ATOM 1180 OE1 GLU A 76 11.713 12.655 -7.334 1.00 0.00 O ATOM 1181 OE2 GLU A 76 12.692 13.956 -5.814 1.00 0.00 O ATOM 0 H GLU A 76 12.475 10.702 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 76 14.703 10.929 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.372 12.763 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.679 12.894 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.937 11.277 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.807 12.783 -6.306 1.00 0.00 H new ATOM 1188 N THR A 77 15.019 9.345 -7.149 1.00 0.00 N ATOM 1189 CA THR A 77 15.902 8.498 -6.365 1.00 0.00 C ATOM 1190 C THR A 77 15.200 7.188 -6.001 1.00 0.00 C ATOM 1191 O THR A 77 14.402 6.670 -6.781 1.00 0.00 O ATOM 1192 CB THR A 77 16.365 9.299 -5.146 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.192 9.420 -4.345 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.728 10.743 -5.497 1.00 0.00 C ATOM 0 H THR A 77 14.051 9.365 -6.828 1.00 0.00 H new ATOM 0 HA THR A 77 16.784 8.209 -6.937 1.00 0.00 H new ATOM 0 HB THR A 77 17.228 8.808 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.443 9.437 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.050 11.266 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.537 10.748 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.857 11.245 -5.917 1.00 0.00 H new ATOM 1202 N GLU A 78 15.524 6.690 -4.817 1.00 0.00 N ATOM 1203 CA GLU A 78 14.934 5.450 -4.340 1.00 0.00 C ATOM 1204 C GLU A 78 14.174 5.692 -3.035 1.00 0.00 C ATOM 1205 O GLU A 78 13.568 4.773 -2.486 1.00 0.00 O ATOM 1206 CB GLU A 78 16.002 4.369 -4.161 1.00 0.00 C ATOM 1207 CG GLU A 78 16.791 4.158 -5.455 1.00 0.00 C ATOM 1208 CD GLU A 78 17.836 3.053 -5.285 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.616 3.153 -4.314 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.831 2.133 -6.131 1.00 0.00 O ATOM 0 H GLU A 78 16.187 7.122 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 78 14.226 5.095 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.682 4.654 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.531 3.433 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.108 3.897 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.283 5.088 -5.741 1.00 0.00 H new ATOM 1217 N GLU A 79 14.230 6.933 -2.575 1.00 0.00 N ATOM 1218 CA GLU A 79 13.554 7.307 -1.345 1.00 0.00 C ATOM 1219 C GLU A 79 12.065 7.542 -1.607 1.00 0.00 C ATOM 1220 O GLU A 79 11.657 7.739 -2.751 1.00 0.00 O ATOM 1221 CB GLU A 79 14.202 8.542 -0.716 1.00 0.00 C ATOM 1222 CG GLU A 79 15.573 8.203 -0.127 1.00 0.00 C ATOM 1223 CD GLU A 79 16.594 7.933 -1.234 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.853 8.878 -2.010 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.092 6.787 -1.280 1.00 0.00 O ATOM 0 H GLU A 79 14.734 7.693 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 79 13.652 6.485 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.309 9.324 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.554 8.938 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.918 9.027 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.490 7.328 0.517 1.00 0.00 H new ATOM 1232 N LEU A 80 11.295 7.514 -0.529 1.00 0.00 N ATOM 1233 CA LEU A 80 9.861 7.721 -0.629 1.00 0.00 C ATOM 1234 C LEU A 80 9.502 9.075 -0.012 1.00 0.00 C ATOM 1235 O LEU A 80 10.385 9.868 0.311 1.00 0.00 O ATOM 1236 CB LEU A 80 9.104 6.544 -0.011 1.00 0.00 C ATOM 1237 CG LEU A 80 9.225 5.208 -0.747 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.735 4.111 0.189 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.901 4.826 -1.410 1.00 0.00 C ATOM 0 H LEU A 80 11.638 7.351 0.418 1.00 0.00 H new ATOM 0 HA LEU A 80 9.553 7.754 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.458 6.407 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.048 6.808 0.050 1.00 0.00 H new ATOM 0 HG LEU A 80 9.962 5.321 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.812 3.172 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.717 4.388 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.040 3.990 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.014 3.873 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.126 4.737 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.618 5.596 -2.128 1.00 0.00 H new ATOM 1251 N SER A 81 8.204 9.298 0.132 1.00 0.00 N ATOM 1252 CA SER A 81 7.717 10.542 0.704 1.00 0.00 C ATOM 1253 C SER A 81 6.352 10.318 1.358 1.00 0.00 C ATOM 1254 O SER A 81 5.502 9.621 0.806 1.00 0.00 O ATOM 1255 CB SER A 81 7.623 11.638 -0.360 1.00 0.00 C ATOM 1256 OG SER A 81 7.130 12.862 0.178 1.00 0.00 O ATOM 0 H SER A 81 7.474 8.638 -0.138 1.00 0.00 H new ATOM 0 HA SER A 81 8.427 10.871 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.607 11.804 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.968 11.306 -1.166 1.00 0.00 H new ATOM 0 HG SER A 81 7.086 13.537 -0.531 1.00 0.00 H new ATOM 1262 N ARG A 82 6.184 10.923 2.525 1.00 0.00 N ATOM 1263 CA ARG A 82 4.937 10.799 3.259 1.00 0.00 C ATOM 1264 C ARG A 82 3.821 11.564 2.545 1.00 0.00 C ATOM 1265 O ARG A 82 3.761 12.791 2.615 1.00 0.00 O ATOM 1266 CB ARG A 82 5.082 11.336 4.685 1.00 0.00 C ATOM 1267 CG ARG A 82 3.909 10.890 5.560 1.00 0.00 C ATOM 1268 CD ARG A 82 3.532 11.978 6.567 1.00 0.00 C ATOM 1269 NE ARG A 82 2.064 12.007 6.755 1.00 0.00 N ATOM 1270 CZ ARG A 82 1.414 12.951 7.450 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.097 13.949 8.026 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.080 12.896 7.568 1.00 0.00 N ATOM 0 H ARG A 82 6.891 11.500 2.980 1.00 0.00 H new ATOM 0 HA ARG A 82 4.684 9.740 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.018 10.982 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.132 12.425 4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.049 10.658 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.173 9.975 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.025 11.789 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.881 12.948 6.214 1.00 0.00 H new ATOM 0 HE ARG A 82 1.513 11.262 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.112 13.991 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.602 14.667 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.440 12.136 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.415 13.614 8.097 1.00 0.00 H new ATOM 1286 N LEU A 83 2.965 10.808 1.873 1.00 0.00 N ATOM 1287 CA LEU A 83 1.855 11.400 1.146 1.00 0.00 C ATOM 1288 C LEU A 83 0.766 11.815 2.137 1.00 0.00 C ATOM 1289 O LEU A 83 0.429 12.994 2.236 1.00 0.00 O ATOM 1290 CB LEU A 83 1.362 10.448 0.054 1.00 0.00 C ATOM 1291 CG LEU A 83 0.233 10.975 -0.835 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.651 12.262 -1.547 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.236 9.901 -1.819 1.00 0.00 C ATOM 0 H LEU A 83 3.018 9.791 1.817 1.00 0.00 H new ATOM 0 HA LEU A 83 2.177 12.304 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.208 10.188 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.024 9.526 0.528 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.617 11.222 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.169 12.615 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.897 13.024 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.524 12.066 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.038 10.301 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.597 9.600 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.601 9.036 -1.266 1.00 0.00 H new ATOM 1305 N ALA A 84 0.245 10.824 2.846 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.799 11.072 3.825 1.00 0.00 C ATOM 1307 C ALA A 84 -0.804 9.941 4.856 1.00 0.00 C ATOM 1308 O ALA A 84 -0.116 8.936 4.684 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.144 11.217 3.112 1.00 0.00 C ATOM 0 H ALA A 84 0.527 9.847 2.762 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.611 12.004 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.927 11.403 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.097 12.052 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.368 10.300 2.568 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.588 10.143 5.905 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.692 9.153 6.963 1.00 0.00 C ATOM 1317 C GLY A 85 -0.934 9.605 8.213 1.00 0.00 C ATOM 1318 O GLY A 85 -1.416 10.452 8.963 1.00 0.00 O ATOM 0 H GLY A 85 -2.157 10.978 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.741 8.988 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.292 8.200 6.615 1.00 0.00 H new ATOM 1322 N TYR A 86 0.240 9.019 8.398 1.00 0.00 N ATOM 1323 CA TYR A 86 1.069 9.350 9.544 1.00 0.00 C ATOM 1324 C TYR A 86 2.309 8.456 9.600 1.00 0.00 C ATOM 1325 O TYR A 86 2.202 7.233 9.515 1.00 0.00 O ATOM 1326 CB TYR A 86 0.207 9.085 10.779 1.00 0.00 C ATOM 1327 CG TYR A 86 -0.444 10.340 11.365 1.00 0.00 C ATOM 1328 CD1 TYR A 86 0.329 11.442 11.665 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -1.805 10.369 11.592 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -0.284 12.623 12.216 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -2.418 11.550 12.143 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.627 12.619 12.428 1.00 0.00 C ATOM 1333 OH TYR A 86 -2.206 13.734 12.948 1.00 0.00 O ATOM 0 H TYR A 86 0.637 8.317 7.773 1.00 0.00 H new ATOM 0 HA TYR A 86 1.409 10.384 9.486 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.574 8.371 10.518 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.824 8.616 11.546 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.394 11.419 11.487 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.410 9.506 11.356 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.310 13.493 12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.482 11.586 12.326 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.170 13.588 13.044 1.00 0.00 H new ATOM 1343 N GLY A 87 3.458 9.100 9.744 1.00 0.00 N ATOM 1344 CA GLY A 87 4.717 8.378 9.813 1.00 0.00 C ATOM 1345 C GLY A 87 5.901 9.313 9.558 1.00 0.00 C ATOM 1346 O GLY A 87 5.802 10.519 9.781 1.00 0.00 O ATOM 0 H GLY A 87 3.543 10.114 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.821 7.914 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.720 7.574 9.078 1.00 0.00 H new ATOM 1350 N PRO A 88 7.021 8.707 9.083 1.00 0.00 N ATOM 1351 CA PRO A 88 8.222 9.473 8.796 1.00 0.00 C ATOM 1352 C PRO A 88 8.065 10.274 7.502 1.00 0.00 C ATOM 1353 O PRO A 88 7.690 9.724 6.468 1.00 0.00 O ATOM 1354 CB PRO A 88 9.338 8.443 8.725 1.00 0.00 C ATOM 1355 CG PRO A 88 8.654 7.102 8.512 1.00 0.00 C ATOM 1356 CD PRO A 88 7.174 7.281 8.807 1.00 0.00 C ATOM 0 HA PRO A 88 8.436 10.221 9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.024 8.666 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.926 8.440 9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.800 6.757 7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.085 6.345 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.561 6.974 7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.864 6.677 9.660 1.00 0.00 H new ATOM 1364 N ARG A 89 8.360 11.562 7.602 1.00 0.00 N ATOM 1365 CA ARG A 89 8.257 12.445 6.453 1.00 0.00 C ATOM 1366 C ARG A 89 8.727 11.726 5.187 1.00 0.00 C ATOM 1367 O ARG A 89 8.036 11.739 4.169 1.00 0.00 O ATOM 1368 CB ARG A 89 9.094 13.710 6.653 1.00 0.00 C ATOM 1369 CG ARG A 89 8.811 14.735 5.553 1.00 0.00 C ATOM 1370 CD ARG A 89 8.395 16.080 6.150 1.00 0.00 C ATOM 1371 NE ARG A 89 6.934 16.101 6.384 1.00 0.00 N ATOM 1372 CZ ARG A 89 6.302 17.035 7.108 1.00 0.00 C ATOM 1373 NH1 ARG A 89 6.999 18.030 7.673 1.00 0.00 N ATOM 1374 NH2 ARG A 89 4.973 16.973 7.267 1.00 0.00 N ATOM 0 H ARG A 89 8.670 12.015 8.461 1.00 0.00 H new ATOM 0 HA ARG A 89 7.210 12.729 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.873 14.146 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.153 13.453 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.700 14.866 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.022 14.364 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.924 16.250 7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.675 16.889 5.475 1.00 0.00 H new ATOM 0 HE ARG A 89 6.373 15.358 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.011 18.077 7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.518 18.741 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.443 16.215 6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.492 17.684 7.818 1.00 0.00 H new ATOM 1388 N THR A 90 9.898 11.116 5.292 1.00 0.00 N ATOM 1389 CA THR A 90 10.468 10.392 4.168 1.00 0.00 C ATOM 1390 C THR A 90 10.863 8.976 4.590 1.00 0.00 C ATOM 1391 O THR A 90 10.868 8.657 5.778 1.00 0.00 O ATOM 1392 CB THR A 90 11.639 11.212 3.623 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.023 12.178 2.776 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.531 10.404 2.678 1.00 0.00 C ATOM 0 H THR A 90 10.468 11.108 6.138 1.00 0.00 H new ATOM 0 HA THR A 90 9.739 10.267 3.368 1.00 0.00 H new ATOM 0 HB THR A 90 12.236 11.587 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.711 12.754 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.346 11.033 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.942 9.546 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.942 10.057 1.830 1.00 0.00 H new ATOM 1402 N VAL A 91 11.183 8.163 3.593 1.00 0.00 N ATOM 1403 CA VAL A 91 11.577 6.788 3.847 1.00 0.00 C ATOM 1404 C VAL A 91 12.612 6.359 2.804 1.00 0.00 C ATOM 1405 O VAL A 91 12.398 6.530 1.605 1.00 0.00 O ATOM 1406 CB VAL A 91 10.342 5.885 3.871 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.743 4.410 3.944 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.412 6.259 5.027 1.00 0.00 C ATOM 0 H VAL A 91 11.177 8.430 2.609 1.00 0.00 H new ATOM 0 HA VAL A 91 12.046 6.699 4.827 1.00 0.00 H new ATOM 0 HB VAL A 91 9.796 6.038 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.847 3.790 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.347 4.154 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.322 4.235 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.542 5.602 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.944 6.149 5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.087 7.293 4.912 1.00 0.00 H new ATOM 1418 N THR A 92 13.711 5.809 3.299 1.00 0.00 N ATOM 1419 CA THR A 92 14.779 5.354 2.425 1.00 0.00 C ATOM 1420 C THR A 92 14.757 3.829 2.306 1.00 0.00 C ATOM 1421 O THR A 92 14.085 3.151 3.082 1.00 0.00 O ATOM 1422 CB THR A 92 16.100 5.902 2.969 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.472 4.971 3.981 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.921 7.221 3.723 1.00 0.00 C ATOM 0 H THR A 92 13.885 5.668 4.294 1.00 0.00 H new ATOM 0 HA THR A 92 14.647 5.730 1.410 1.00 0.00 H new ATOM 0 HB THR A 92 16.799 6.047 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.320 5.249 4.386 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.889 7.566 4.088 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.499 7.969 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.248 7.069 4.567 1.00 0.00 H new ATOM 1432 N PRO A 93 15.519 3.320 1.301 1.00 0.00 N ATOM 1433 CA PRO A 93 15.594 1.887 1.070 1.00 0.00 C ATOM 1434 C PRO A 93 16.467 1.206 2.125 1.00 0.00 C ATOM 1435 O PRO A 93 16.525 -0.021 2.191 1.00 0.00 O ATOM 1436 CB PRO A 93 16.144 1.744 -0.339 1.00 0.00 C ATOM 1437 CG PRO A 93 16.792 3.079 -0.671 1.00 0.00 C ATOM 1438 CD PRO A 93 16.328 4.092 0.363 1.00 0.00 C ATOM 0 HA PRO A 93 14.625 1.396 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.870 0.933 -0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.349 1.509 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.878 2.990 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.511 3.401 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.174 4.563 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.746 4.890 -0.098 1.00 0.00 H new ATOM 1446 N ALA A 94 17.127 2.032 2.924 1.00 0.00 N ATOM 1447 CA ALA A 94 17.995 1.525 3.973 1.00 0.00 C ATOM 1448 C ALA A 94 17.152 1.170 5.200 1.00 0.00 C ATOM 1449 O ALA A 94 17.556 0.343 6.016 1.00 0.00 O ATOM 1450 CB ALA A 94 19.075 2.562 4.288 1.00 0.00 C ATOM 0 H ALA A 94 17.078 3.049 2.866 1.00 0.00 H new ATOM 0 HA ALA A 94 18.501 0.616 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.726 2.182 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.664 2.757 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.605 3.487 4.622 1.00 0.00 H new ATOM 1456 N MET A 95 15.997 1.812 5.291 1.00 0.00 N ATOM 1457 CA MET A 95 15.094 1.575 6.404 1.00 0.00 C ATOM 1458 C MET A 95 14.061 0.503 6.052 1.00 0.00 C ATOM 1459 O MET A 95 13.524 -0.161 6.938 1.00 0.00 O ATOM 1460 CB MET A 95 14.377 2.877 6.767 1.00 0.00 C ATOM 1461 CG MET A 95 15.293 3.802 7.569 1.00 0.00 C ATOM 1462 SD MET A 95 14.328 4.774 8.715 1.00 0.00 S ATOM 1463 CE MET A 95 12.931 5.176 7.679 1.00 0.00 C ATOM 0 H MET A 95 15.665 2.497 4.612 1.00 0.00 H new ATOM 0 HA MET A 95 15.679 1.224 7.254 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.050 3.382 5.858 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.482 2.654 7.347 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.033 3.214 8.112 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.841 4.459 6.894 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.383 6.011 8.115 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.283 5.453 6.685 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.273 4.310 7.603 1.00 0.00 H new ATOM 1473 N VAL A 96 13.812 0.368 4.758 1.00 0.00 N ATOM 1474 CA VAL A 96 12.852 -0.612 4.278 1.00 0.00 C ATOM 1475 C VAL A 96 13.318 -2.013 4.678 1.00 0.00 C ATOM 1476 O VAL A 96 14.400 -2.448 4.285 1.00 0.00 O ATOM 1477 CB VAL A 96 12.654 -0.455 2.769 1.00 0.00 C ATOM 1478 CG1 VAL A 96 11.912 -1.659 2.186 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.924 0.849 2.444 1.00 0.00 C ATOM 0 H VAL A 96 14.258 0.921 4.026 1.00 0.00 H new ATOM 0 HA VAL A 96 11.877 -0.450 4.738 1.00 0.00 H new ATOM 0 HB VAL A 96 13.639 -0.411 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.784 -1.522 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.488 -2.566 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.934 -1.748 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.796 0.935 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.946 0.849 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.508 1.694 2.809 1.00 0.00 H new ATOM 1489 N GLU A 97 12.478 -2.683 5.454 1.00 0.00 N ATOM 1490 CA GLU A 97 12.790 -4.026 5.911 1.00 0.00 C ATOM 1491 C GLU A 97 12.572 -5.035 4.781 1.00 0.00 C ATOM 1492 O GLU A 97 13.395 -5.924 4.570 1.00 0.00 O ATOM 1493 CB GLU A 97 11.959 -4.393 7.142 1.00 0.00 C ATOM 1494 CG GLU A 97 12.226 -5.837 7.573 1.00 0.00 C ATOM 1495 CD GLU A 97 11.086 -6.368 8.444 1.00 0.00 C ATOM 1496 OE1 GLU A 97 9.967 -6.491 7.902 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.360 -6.640 9.633 1.00 0.00 O ATOM 0 H GLU A 97 11.581 -2.320 5.778 1.00 0.00 H new ATOM 0 HA GLU A 97 13.840 -4.056 6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.197 -3.715 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.899 -4.266 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.340 -6.468 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.165 -5.888 8.125 1.00 0.00 H new ATOM 1504 N GLY A 98 11.458 -4.864 4.085 1.00 0.00 N ATOM 1505 CA GLY A 98 11.121 -5.748 2.982 1.00 0.00 C ATOM 1506 C GLY A 98 10.191 -5.053 1.986 1.00 0.00 C ATOM 1507 O GLY A 98 9.352 -4.242 2.376 1.00 0.00 O ATOM 0 H GLY A 98 10.777 -4.126 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.032 -6.065 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.641 -6.648 3.366 1.00 0.00 H new ATOM 1511 N ILE A 99 10.371 -5.396 0.719 1.00 0.00 N ATOM 1512 CA ILE A 99 9.558 -4.814 -0.336 1.00 0.00 C ATOM 1513 C ILE A 99 8.677 -5.902 -0.953 1.00 0.00 C ATOM 1514 O ILE A 99 9.027 -7.081 -0.923 1.00 0.00 O ATOM 1515 CB ILE A 99 10.440 -4.087 -1.353 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.745 -4.850 -1.592 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.692 -2.640 -0.924 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.512 -4.266 -2.780 1.00 0.00 C ATOM 0 H ILE A 99 11.067 -6.069 0.399 1.00 0.00 H new ATOM 0 HA ILE A 99 8.890 -4.055 0.072 1.00 0.00 H new ATOM 0 HB ILE A 99 9.909 -4.053 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.365 -4.806 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.527 -5.902 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.321 -2.146 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.741 -2.113 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.193 -2.629 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.435 -4.826 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.898 -4.334 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.750 -3.221 -2.581 1.00 0.00 H new ATOM 1530 N TYR A 100 7.551 -5.468 -1.499 1.00 0.00 N ATOM 1531 CA TYR A 100 6.617 -6.391 -2.123 1.00 0.00 C ATOM 1532 C TYR A 100 5.905 -5.734 -3.307 1.00 0.00 C ATOM 1533 O TYR A 100 5.928 -4.512 -3.449 1.00 0.00 O ATOM 1534 CB TYR A 100 5.583 -6.734 -1.048 1.00 0.00 C ATOM 1535 CG TYR A 100 6.192 -7.104 0.306 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.793 -6.132 1.080 1.00 0.00 C ATOM 1537 CD2 TYR A 100 6.140 -8.408 0.753 1.00 0.00 C ATOM 1538 CE1 TYR A 100 7.366 -6.479 2.355 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.713 -8.756 2.028 1.00 0.00 C ATOM 1540 CZ TYR A 100 7.298 -7.774 2.765 1.00 0.00 C ATOM 1541 OH TYR A 100 7.839 -8.102 3.969 1.00 0.00 O ATOM 0 H TYR A 100 7.264 -4.490 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 100 7.139 -7.271 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.917 -5.882 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.971 -7.565 -1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.834 -5.111 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.670 -9.168 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.839 -5.728 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.679 -9.773 2.390 1.00 0.00 H new ATOM 0 HH TYR A 100 7.716 -9.060 4.133 1.00 0.00 H new ATOM 1551 N LYS A 101 5.290 -6.573 -4.126 1.00 0.00 N ATOM 1552 CA LYS A 101 4.572 -6.089 -5.294 1.00 0.00 C ATOM 1553 C LYS A 101 3.080 -6.384 -5.128 1.00 0.00 C ATOM 1554 O LYS A 101 2.663 -6.943 -4.115 1.00 0.00 O ATOM 1555 CB LYS A 101 5.176 -6.672 -6.573 1.00 0.00 C ATOM 1556 CG LYS A 101 5.067 -8.198 -6.585 1.00 0.00 C ATOM 1557 CD LYS A 101 3.709 -8.646 -7.129 1.00 0.00 C ATOM 1558 CE LYS A 101 3.876 -9.490 -8.394 1.00 0.00 C ATOM 1559 NZ LYS A 101 4.283 -8.639 -9.534 1.00 0.00 N ATOM 0 H LYS A 101 5.273 -7.586 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 101 4.675 -5.008 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.663 -6.260 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.223 -6.378 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.865 -8.618 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.203 -8.584 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.182 -9.223 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.095 -7.772 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.624 -10.265 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.939 -9.997 -8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.392 -9.227 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.556 -7.915 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.188 -8.175 -9.315 1.00 0.00 H new ATOM 1573 N TYR A 102 2.317 -5.994 -6.139 1.00 0.00 N ATOM 1574 CA TYR A 102 0.880 -6.209 -6.118 1.00 0.00 C ATOM 1575 C TYR A 102 0.419 -6.948 -7.376 1.00 0.00 C ATOM 1576 O TYR A 102 0.603 -6.460 -8.490 1.00 0.00 O ATOM 1577 CB TYR A 102 0.246 -4.817 -6.097 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.282 -4.829 -6.169 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.915 -4.955 -7.389 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.028 -4.713 -5.014 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.353 -4.966 -7.457 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.467 -4.724 -5.081 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.058 -4.850 -6.300 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.417 -4.860 -6.363 1.00 0.00 O ATOM 0 H TYR A 102 2.667 -5.531 -6.978 1.00 0.00 H new ATOM 0 HA TYR A 102 0.594 -6.811 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.553 -4.303 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.635 -4.239 -6.936 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.331 -5.045 -8.293 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.533 -4.614 -4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.860 -5.064 -8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.063 -4.634 -4.185 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.781 -5.204 -5.520 1.00 0.00 H new ATOM 1594 N ASN A 103 -0.173 -8.113 -7.156 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.663 -8.924 -8.258 1.00 0.00 C ATOM 1596 C ASN A 103 -1.979 -8.337 -8.772 1.00 0.00 C ATOM 1597 O ASN A 103 -3.029 -8.531 -8.162 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.930 -10.361 -7.807 1.00 0.00 C ATOM 1599 CG ASN A 103 -0.126 -11.357 -8.645 1.00 0.00 C ATOM 1600 OD1 ASN A 103 -0.609 -11.929 -9.609 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.124 -11.532 -8.226 1.00 0.00 N ATOM 0 H ASN A 103 -0.324 -8.515 -6.231 1.00 0.00 H new ATOM 0 HA ASN A 103 0.097 -8.926 -9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.668 -10.470 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.994 -10.582 -7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.742 -12.177 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.465 -11.021 -7.412 1.00 0.00 H new ATOM 1608 N SER A 104 -1.878 -7.631 -9.888 1.00 0.00 N ATOM 1609 CA SER A 104 -3.048 -7.014 -10.491 1.00 0.00 C ATOM 1610 C SER A 104 -3.865 -8.066 -11.243 1.00 0.00 C ATOM 1611 O SER A 104 -4.884 -7.746 -11.854 1.00 0.00 O ATOM 1612 CB SER A 104 -2.647 -5.879 -11.436 1.00 0.00 C ATOM 1613 OG SER A 104 -3.001 -4.601 -10.915 1.00 0.00 O ATOM 0 H SER A 104 -1.005 -7.472 -10.391 1.00 0.00 H new ATOM 0 HA SER A 104 -3.659 -6.589 -9.695 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.571 -5.915 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.131 -6.023 -12.402 1.00 0.00 H new ATOM 0 HG SER A 104 -3.185 -3.986 -11.655 1.00 0.00 H new ATOM 1619 N ASP A 105 -3.388 -9.300 -11.174 1.00 0.00 N ATOM 1620 CA ASP A 105 -4.062 -10.402 -11.840 1.00 0.00 C ATOM 1621 C ASP A 105 -4.606 -11.372 -10.790 1.00 0.00 C ATOM 1622 O ASP A 105 -5.722 -11.874 -10.922 1.00 0.00 O ATOM 1623 CB ASP A 105 -3.097 -11.174 -12.741 1.00 0.00 C ATOM 1624 CG ASP A 105 -3.294 -10.950 -14.242 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -4.428 -11.192 -14.708 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -2.306 -10.541 -14.889 1.00 0.00 O ATOM 0 H ASP A 105 -2.542 -9.561 -10.667 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.868 -9.987 -12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.077 -10.895 -12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.201 -12.239 -12.531 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.794 -11.606 -9.770 1.00 0.00 N ATOM 1632 CA ARG A 106 -4.180 -12.507 -8.697 1.00 0.00 C ATOM 1633 C ARG A 106 -4.849 -11.727 -7.564 1.00 0.00 C ATOM 1634 O ARG A 106 -5.647 -12.282 -6.811 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.966 -13.256 -8.144 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.591 -14.434 -9.045 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.747 -15.764 -8.304 1.00 0.00 C ATOM 1638 NE ARG A 106 -2.075 -16.846 -9.058 1.00 0.00 N ATOM 1639 CZ ARG A 106 -1.976 -18.111 -8.629 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -2.503 -18.461 -7.448 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -1.348 -19.026 -9.380 1.00 0.00 N ATOM 0 H ARG A 106 -2.870 -11.187 -9.664 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.883 -13.231 -9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.120 -12.574 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.184 -13.617 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.223 -14.432 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.562 -14.322 -9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.318 -15.685 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.804 -15.999 -8.180 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.661 -16.614 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.980 -17.764 -6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.428 -19.424 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.945 -18.759 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.273 -19.989 -9.053 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.499 -10.452 -7.479 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.056 -9.590 -6.450 1.00 0.00 C ATOM 1657 C LYS A 107 -4.391 -9.908 -5.109 1.00 0.00 C ATOM 1658 O LYS A 107 -5.026 -9.818 -4.060 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.581 -9.706 -6.422 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.165 -9.606 -7.833 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.598 -10.141 -7.873 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.410 -9.450 -8.970 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.845 -9.418 -8.610 1.00 0.00 N ATOM 0 H LYS A 107 -3.837 -9.995 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.842 -8.545 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.869 -10.656 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.998 -8.917 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.152 -8.567 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.543 -10.170 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.584 -11.217 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.076 -9.982 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.043 -8.434 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.278 -9.977 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.382 -8.946 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.195 -10.390 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.968 -8.896 -7.719 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.119 -10.273 -5.188 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.361 -10.604 -3.993 1.00 0.00 C ATOM 1679 C ARG A 108 -1.023 -9.862 -3.991 1.00 0.00 C ATOM 1680 O ARG A 108 -0.681 -9.189 -4.962 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.101 -12.110 -3.906 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.416 -12.892 -3.882 1.00 0.00 C ATOM 1683 CD ARG A 108 -3.952 -13.020 -2.454 1.00 0.00 C ATOM 1684 NE ARG A 108 -5.246 -13.738 -2.462 1.00 0.00 N ATOM 1685 CZ ARG A 108 -5.365 -15.072 -2.433 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -4.269 -15.842 -2.394 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -6.580 -15.637 -2.442 1.00 0.00 N ATOM 0 H ARG A 108 -2.595 -10.347 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.952 -10.298 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.499 -12.429 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.525 -12.332 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.154 -12.389 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.261 -13.884 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.233 -13.555 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.078 -12.031 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.101 -13.182 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.344 -15.412 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.360 -16.858 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.415 -15.051 -2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.670 -16.653 -2.420 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.303 -10.009 -2.889 1.00 0.00 N ATOM 1702 CA PHE A 109 0.989 -9.361 -2.747 1.00 0.00 C ATOM 1703 C PHE A 109 2.124 -10.386 -2.785 1.00 0.00 C ATOM 1704 O PHE A 109 2.020 -11.455 -2.186 1.00 0.00 O ATOM 1705 CB PHE A 109 0.994 -8.664 -1.385 1.00 0.00 C ATOM 1706 CG PHE A 109 0.181 -7.368 -1.347 1.00 0.00 C ATOM 1707 CD1 PHE A 109 0.712 -6.218 -1.842 1.00 0.00 C ATOM 1708 CD2 PHE A 109 -1.071 -7.366 -0.817 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.042 -5.015 -1.807 1.00 0.00 C ATOM 1710 CE2 PHE A 109 -1.825 -6.163 -0.781 1.00 0.00 C ATOM 1711 CZ PHE A 109 -1.295 -5.013 -1.277 1.00 0.00 C ATOM 0 H PHE A 109 -0.590 -10.568 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 109 1.143 -8.657 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.600 -9.350 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.024 -8.443 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.707 -6.220 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.492 -8.279 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 109 0.379 -4.102 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.819 -6.161 -0.360 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.869 -4.098 -1.250 1.00 0.00 H new ATOM 1721 N THR A 110 3.182 -10.024 -3.497 1.00 0.00 N ATOM 1722 CA THR A 110 4.335 -10.900 -3.621 1.00 0.00 C ATOM 1723 C THR A 110 5.594 -10.199 -3.107 1.00 0.00 C ATOM 1724 O THR A 110 5.613 -8.978 -2.958 1.00 0.00 O ATOM 1725 CB THR A 110 4.439 -11.340 -5.083 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.213 -12.025 -5.327 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.513 -12.409 -5.297 1.00 0.00 C ATOM 0 H THR A 110 3.265 -9.137 -3.993 1.00 0.00 H new ATOM 0 HA THR A 110 4.223 -11.792 -3.005 1.00 0.00 H new ATOM 0 HB THR A 110 4.659 -10.475 -5.708 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.195 -12.343 -6.254 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.546 -12.686 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.484 -12.015 -4.995 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.276 -13.288 -4.698 1.00 0.00 H new ATOM 1735 N GLN A 111 6.616 -11.003 -2.849 1.00 0.00 N ATOM 1736 CA GLN A 111 7.876 -10.475 -2.354 1.00 0.00 C ATOM 1737 C GLN A 111 8.827 -10.191 -3.519 1.00 0.00 C ATOM 1738 O GLN A 111 8.830 -10.916 -4.513 1.00 0.00 O ATOM 1739 CB GLN A 111 8.515 -11.434 -1.347 1.00 0.00 C ATOM 1740 CG GLN A 111 9.896 -10.937 -0.916 1.00 0.00 C ATOM 1741 CD GLN A 111 10.057 -11.016 0.604 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.705 -11.900 1.140 1.00 0.00 O ATOM 1743 NE2 GLN A 111 9.433 -10.045 1.265 1.00 0.00 N ATOM 0 H GLN A 111 6.597 -12.015 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 111 7.676 -9.537 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.871 -11.532 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.604 -12.426 -1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.669 -11.535 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.036 -9.908 -1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.908 -9.336 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.480 -10.009 2.283 1.00 0.00 H new ATOM 1752 N ILE A 112 9.609 -9.134 -3.358 1.00 0.00 N ATOM 1753 CA ILE A 112 10.562 -8.745 -4.384 1.00 0.00 C ATOM 1754 C ILE A 112 11.922 -9.375 -4.077 1.00 0.00 C ATOM 1755 O ILE A 112 12.321 -9.464 -2.917 1.00 0.00 O ATOM 1756 CB ILE A 112 10.607 -7.222 -4.523 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.263 -6.597 -4.146 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.055 -6.813 -5.928 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.145 -7.107 -5.057 1.00 0.00 C ATOM 0 H ILE A 112 9.602 -8.535 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 112 10.249 -9.122 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 112 11.349 -6.837 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.027 -6.833 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.330 -5.512 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.079 -5.726 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.051 -7.211 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.355 -7.210 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.201 -6.647 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.372 -6.848 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.065 -8.190 -4.963 1.00 0.00 H new ATOM 1771 N PRO A 113 12.614 -9.808 -5.164 1.00 0.00 N ATOM 1772 CA PRO A 113 13.920 -10.427 -5.023 1.00 0.00 C ATOM 1773 C PRO A 113 14.993 -9.380 -4.714 1.00 0.00 C ATOM 1774 O PRO A 113 16.146 -9.724 -4.460 1.00 0.00 O ATOM 1775 CB PRO A 113 14.158 -11.151 -6.338 1.00 0.00 C ATOM 1776 CG PRO A 113 13.193 -10.530 -7.335 1.00 0.00 C ATOM 1777 CD PRO A 113 12.172 -9.719 -6.553 1.00 0.00 C ATOM 0 HA PRO A 113 13.966 -11.124 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.190 -11.033 -6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.977 -12.221 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.729 -9.893 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.698 -11.305 -7.920 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.143 -8.684 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.167 -10.123 -6.676 1.00 0.00 H new ATOM 1785 N ALA A 114 14.574 -8.124 -4.745 1.00 0.00 N ATOM 1786 CA ALA A 114 15.484 -7.025 -4.472 1.00 0.00 C ATOM 1787 C ALA A 114 15.110 -6.379 -3.136 1.00 0.00 C ATOM 1788 O ALA A 114 13.952 -6.421 -2.725 1.00 0.00 O ATOM 1789 CB ALA A 114 15.445 -6.028 -5.633 1.00 0.00 C ATOM 0 H ALA A 114 13.616 -7.843 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 114 16.509 -7.387 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.128 -5.204 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.747 -6.529 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.432 -5.641 -5.746 1.00 0.00 H new ATOM 1795 N LYS A 115 16.113 -5.796 -2.496 1.00 0.00 N ATOM 1796 CA LYS A 115 15.904 -5.142 -1.215 1.00 0.00 C ATOM 1797 C LYS A 115 15.861 -3.627 -1.422 1.00 0.00 C ATOM 1798 O LYS A 115 15.818 -2.866 -0.457 1.00 0.00 O ATOM 1799 CB LYS A 115 16.959 -5.595 -0.204 1.00 0.00 C ATOM 1800 CG LYS A 115 16.323 -6.413 0.922 1.00 0.00 C ATOM 1801 CD LYS A 115 16.490 -7.913 0.671 1.00 0.00 C ATOM 1802 CE LYS A 115 15.134 -8.620 0.650 1.00 0.00 C ATOM 1803 NZ LYS A 115 15.298 -10.047 0.291 1.00 0.00 N ATOM 0 H LYS A 115 17.073 -5.763 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 115 14.943 -5.433 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.718 -6.193 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.464 -4.725 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.782 -6.147 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.263 -6.169 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.001 -8.072 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.119 -8.348 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.659 -8.537 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.474 -8.132 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.368 -10.512 0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.731 -10.120 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.910 -10.513 0.991 1.00 0.00 H new ATOM 1817 N THR A 116 15.876 -3.234 -2.688 1.00 0.00 N ATOM 1818 CA THR A 116 15.839 -1.823 -3.033 1.00 0.00 C ATOM 1819 C THR A 116 14.508 -1.472 -3.701 1.00 0.00 C ATOM 1820 O THR A 116 13.734 -2.359 -4.056 1.00 0.00 O ATOM 1821 CB THR A 116 17.057 -1.519 -3.908 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.163 -1.633 -3.017 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.098 -0.060 -4.368 1.00 0.00 C ATOM 0 H THR A 116 15.913 -3.868 -3.486 1.00 0.00 H new ATOM 0 HA THR A 116 15.895 -1.196 -2.143 1.00 0.00 H new ATOM 0 HB THR A 116 17.050 -2.174 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.995 -1.453 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.982 0.102 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.203 0.164 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.138 0.595 -3.498 1.00 0.00 H new ATOM 1831 N MET A 117 14.283 -0.175 -3.852 1.00 0.00 N ATOM 1832 CA MET A 117 13.059 0.305 -4.471 1.00 0.00 C ATOM 1833 C MET A 117 13.081 0.072 -5.983 1.00 0.00 C ATOM 1834 O MET A 117 14.075 0.367 -6.646 1.00 0.00 O ATOM 1835 CB MET A 117 12.894 1.799 -4.187 1.00 0.00 C ATOM 1836 CG MET A 117 11.837 2.039 -3.107 1.00 0.00 C ATOM 1837 SD MET A 117 12.344 1.273 -1.576 1.00 0.00 S ATOM 1838 CE MET A 117 10.819 0.469 -1.112 1.00 0.00 C ATOM 0 H MET A 117 14.928 0.558 -3.556 1.00 0.00 H new ATOM 0 HA MET A 117 12.220 -0.249 -4.049 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.848 2.219 -3.867 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.608 2.317 -5.102 1.00 0.00 H new ATOM 0 HG2 MET A 117 11.694 3.109 -2.958 1.00 0.00 H new ATOM 0 HG3 MET A 117 10.878 1.631 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 117 10.982 -0.133 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 117 10.058 1.222 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.484 -0.174 -1.926 1.00 0.00 H new ATOM 1848 N SER A 118 11.974 -0.455 -6.485 1.00 0.00 N ATOM 1849 CA SER A 118 11.854 -0.731 -7.907 1.00 0.00 C ATOM 1850 C SER A 118 10.392 -0.613 -8.341 1.00 0.00 C ATOM 1851 O SER A 118 9.483 -0.787 -7.530 1.00 0.00 O ATOM 1852 CB SER A 118 12.398 -2.120 -8.246 1.00 0.00 C ATOM 1853 OG SER A 118 11.670 -3.154 -7.589 1.00 0.00 O ATOM 0 H SER A 118 11.152 -0.698 -5.933 1.00 0.00 H new ATOM 0 HA SER A 118 12.448 0.004 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.353 -2.274 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.448 -2.178 -7.960 1.00 0.00 H new ATOM 0 HG SER A 118 12.047 -4.025 -7.833 1.00 0.00 H new ATOM 1859 N MET A 119 10.209 -0.318 -9.620 1.00 0.00 N ATOM 1860 CA MET A 119 8.873 -0.175 -10.172 1.00 0.00 C ATOM 1861 C MET A 119 8.059 -1.456 -9.977 1.00 0.00 C ATOM 1862 O MET A 119 6.837 -1.447 -10.119 1.00 0.00 O ATOM 1863 CB MET A 119 8.969 0.147 -11.664 1.00 0.00 C ATOM 1864 CG MET A 119 7.687 0.818 -12.163 1.00 0.00 C ATOM 1865 SD MET A 119 7.970 2.562 -12.417 1.00 0.00 S ATOM 1866 CE MET A 119 7.888 3.138 -10.729 1.00 0.00 C ATOM 0 H MET A 119 10.965 -0.174 -10.290 1.00 0.00 H new ATOM 0 HA MET A 119 8.369 0.637 -9.648 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.821 0.803 -11.844 1.00 0.00 H new ATOM 0 HB3 MET A 119 9.147 -0.769 -12.227 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.363 0.354 -13.095 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.885 0.673 -11.439 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.584 4.185 -10.716 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.162 2.542 -10.176 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.868 3.039 -10.263 1.00 0.00 H new ATOM 1876 N SER A 120 8.770 -2.527 -9.656 1.00 0.00 N ATOM 1877 CA SER A 120 8.129 -3.814 -9.440 1.00 0.00 C ATOM 1878 C SER A 120 7.772 -3.980 -7.962 1.00 0.00 C ATOM 1879 O SER A 120 7.816 -5.088 -7.430 1.00 0.00 O ATOM 1880 CB SER A 120 9.029 -4.962 -9.902 1.00 0.00 C ATOM 1881 OG SER A 120 8.882 -5.229 -11.294 1.00 0.00 O ATOM 0 H SER A 120 9.783 -2.530 -9.540 1.00 0.00 H new ATOM 0 HA SER A 120 7.215 -3.844 -10.033 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.069 -4.716 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.791 -5.861 -9.333 1.00 0.00 H new ATOM 0 HG SER A 120 9.474 -5.967 -11.550 1.00 0.00 H new ATOM 1887 N VAL A 121 7.428 -2.862 -7.340 1.00 0.00 N ATOM 1888 CA VAL A 121 7.065 -2.870 -5.933 1.00 0.00 C ATOM 1889 C VAL A 121 5.739 -2.129 -5.749 1.00 0.00 C ATOM 1890 O VAL A 121 5.453 -1.172 -6.467 1.00 0.00 O ATOM 1891 CB VAL A 121 8.201 -2.278 -5.096 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.773 -2.102 -3.637 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.462 -3.138 -5.197 1.00 0.00 C ATOM 0 H VAL A 121 7.393 -1.945 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 121 6.919 -3.892 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 121 8.435 -1.292 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.599 -1.680 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.916 -1.430 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.499 -3.071 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.254 -2.695 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.247 -4.143 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.785 -3.190 -6.237 1.00 0.00 H new ATOM 1903 N ASP A 122 4.963 -2.601 -4.784 1.00 0.00 N ATOM 1904 CA ASP A 122 3.674 -1.996 -4.496 1.00 0.00 C ATOM 1905 C ASP A 122 3.379 -2.119 -3.000 1.00 0.00 C ATOM 1906 O ASP A 122 2.226 -2.034 -2.582 1.00 0.00 O ATOM 1907 CB ASP A 122 2.552 -2.702 -5.259 1.00 0.00 C ATOM 1908 CG ASP A 122 2.176 -2.061 -6.596 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.111 -1.800 -7.383 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.961 -1.847 -6.801 1.00 0.00 O ATOM 0 H ASP A 122 5.203 -3.396 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 122 3.717 -0.951 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.850 -3.735 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.665 -2.732 -4.626 1.00 0.00 H new ATOM 1915 N ALA A 123 4.442 -2.319 -2.235 1.00 0.00 N ATOM 1916 CA ALA A 123 4.312 -2.455 -0.794 1.00 0.00 C ATOM 1917 C ALA A 123 5.705 -2.486 -0.161 1.00 0.00 C ATOM 1918 O ALA A 123 6.677 -2.871 -0.809 1.00 0.00 O ATOM 1919 CB ALA A 123 3.497 -3.709 -0.471 1.00 0.00 C ATOM 0 H ALA A 123 5.397 -2.390 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 123 3.778 -1.602 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.399 -3.811 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.507 -3.625 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 123 4.004 -4.586 -0.874 1.00 0.00 H new ATOM 1925 N PHE A 124 5.757 -2.076 1.098 1.00 0.00 N ATOM 1926 CA PHE A 124 7.014 -2.051 1.826 1.00 0.00 C ATOM 1927 C PHE A 124 6.775 -1.883 3.327 1.00 0.00 C ATOM 1928 O PHE A 124 5.711 -1.428 3.743 1.00 0.00 O ATOM 1929 CB PHE A 124 7.806 -0.848 1.309 1.00 0.00 C ATOM 1930 CG PHE A 124 7.356 0.491 1.895 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.040 0.835 1.872 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.271 1.338 2.439 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.622 2.079 2.416 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.852 2.581 2.983 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.537 2.925 2.960 1.00 0.00 C ATOM 0 H PHE A 124 4.948 -1.758 1.632 1.00 0.00 H new ATOM 0 HA PHE A 124 7.551 -2.987 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.862 -0.996 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.717 -0.806 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.313 0.163 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.316 1.065 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.577 2.353 2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.578 3.253 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.219 3.870 3.374 1.00 0.00 H new ATOM 1945 N THR A 125 7.783 -2.260 4.100 1.00 0.00 N ATOM 1946 CA THR A 125 7.696 -2.157 5.547 1.00 0.00 C ATOM 1947 C THR A 125 9.042 -1.725 6.133 1.00 0.00 C ATOM 1948 O THR A 125 10.047 -2.414 5.962 1.00 0.00 O ATOM 1949 CB THR A 125 7.201 -3.500 6.088 1.00 0.00 C ATOM 1950 OG1 THR A 125 7.988 -4.465 5.394 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.766 -3.811 5.658 1.00 0.00 C ATOM 0 H THR A 125 8.664 -2.637 3.752 1.00 0.00 H new ATOM 0 HA THR A 125 6.985 -1.387 5.846 1.00 0.00 H new ATOM 0 HB THR A 125 7.262 -3.498 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.894 -4.115 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.464 -4.775 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.098 -3.033 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.712 -3.847 4.570 1.00 0.00 H new ATOM 1959 N ILE A 126 9.018 -0.587 6.811 1.00 0.00 N ATOM 1960 CA ILE A 126 10.224 -0.055 7.423 1.00 0.00 C ATOM 1961 C ILE A 126 10.581 -0.896 8.650 1.00 0.00 C ATOM 1962 O ILE A 126 9.732 -1.601 9.193 1.00 0.00 O ATOM 1963 CB ILE A 126 10.058 1.435 7.726 1.00 0.00 C ATOM 1964 CG1 ILE A 126 8.833 1.682 8.609 1.00 0.00 C ATOM 1965 CG2 ILE A 126 10.008 2.255 6.435 1.00 0.00 C ATOM 1966 CD1 ILE A 126 8.909 3.055 9.280 1.00 0.00 C ATOM 0 H ILE A 126 8.183 -0.019 6.950 1.00 0.00 H new ATOM 0 HA ILE A 126 11.065 -0.125 6.733 1.00 0.00 H new ATOM 0 HB ILE A 126 10.932 1.769 8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.927 1.617 8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 126 8.766 0.904 9.370 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.890 3.311 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.934 2.113 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.165 1.926 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.026 3.205 9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.803 3.108 9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.951 3.831 8.516 1.00 0.00 H new ATOM 1978 N GLN A 127 11.840 -0.794 9.051 1.00 0.00 N ATOM 1979 CA GLN A 127 12.320 -1.537 10.204 1.00 0.00 C ATOM 1980 C GLN A 127 11.331 -1.414 11.365 1.00 0.00 C ATOM 1981 O GLN A 127 10.438 -0.568 11.337 1.00 0.00 O ATOM 1982 CB GLN A 127 13.714 -1.062 10.620 1.00 0.00 C ATOM 1983 CG GLN A 127 14.793 -2.022 10.114 1.00 0.00 C ATOM 1984 CD GLN A 127 15.772 -2.384 11.232 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.407 -2.934 12.259 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.034 -2.047 10.978 1.00 0.00 N ATOM 0 H GLN A 127 12.542 -0.208 8.598 1.00 0.00 H new ATOM 0 HA GLN A 127 12.397 -2.589 9.927 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.895 -0.063 10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 127 13.768 -0.988 11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.326 -2.928 9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.334 -1.563 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.272 -1.589 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 127 17.763 -2.247 11.663 1.00 0.00 H new ATOM 1995 N GLY A 128 11.522 -2.271 12.357 1.00 0.00 N ATOM 1996 CA GLY A 128 10.658 -2.268 13.525 1.00 0.00 C ATOM 1997 C GLY A 128 11.120 -1.229 14.548 1.00 0.00 C ATOM 1998 O GLY A 128 10.299 -0.580 15.194 1.00 0.00 O ATOM 0 H GLY A 128 12.262 -2.972 12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.633 -2.054 13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.656 -3.257 13.982 1.00 0.00 H new ATOM 2002 N HIS A 129 12.434 -1.103 14.663 1.00 0.00 N ATOM 2003 CA HIS A 129 13.016 -0.153 15.596 1.00 0.00 C ATOM 2004 C HIS A 129 12.482 1.250 15.301 1.00 0.00 C ATOM 2005 O HIS A 129 12.425 2.096 16.191 1.00 0.00 O ATOM 2006 CB HIS A 129 14.544 -0.226 15.563 1.00 0.00 C ATOM 2007 CG HIS A 129 15.166 0.462 14.372 1.00 0.00 C ATOM 2008 ND1 HIS A 129 15.832 -0.225 13.372 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.215 1.782 14.030 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.259 0.651 12.475 1.00 0.00 C ATOM 2011 NE2 HIS A 129 15.876 1.894 12.884 1.00 0.00 N ATOM 0 H HIS A 129 13.112 -1.643 14.126 1.00 0.00 H new ATOM 0 HA HIS A 129 12.720 -0.409 16.613 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.939 0.222 16.475 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.848 -1.273 15.564 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.789 2.597 14.596 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.813 0.421 11.577 1.00 0.00 H new ATOM 0 HE2 HIS A 129 16.066 2.766 12.391 1.00 0.00 H new ATOM 2019 N LEU A 130 12.105 1.452 14.047 1.00 0.00 N ATOM 2020 CA LEU A 130 11.578 2.738 13.622 1.00 0.00 C ATOM 2021 C LEU A 130 10.193 2.945 14.238 1.00 0.00 C ATOM 2022 O LEU A 130 9.871 4.039 14.697 1.00 0.00 O ATOM 2023 CB LEU A 130 11.596 2.847 12.096 1.00 0.00 C ATOM 2024 CG LEU A 130 12.968 2.727 11.431 1.00 0.00 C ATOM 2025 CD1 LEU A 130 12.829 2.457 9.931 1.00 0.00 C ATOM 2026 CD2 LEU A 130 13.825 3.963 11.714 1.00 0.00 C ATOM 0 H LEU A 130 12.154 0.747 13.312 1.00 0.00 H new ATOM 0 HA LEU A 130 12.212 3.548 13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 130 10.948 2.071 11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.161 3.806 11.815 1.00 0.00 H new ATOM 0 HG LEU A 130 13.484 1.871 11.866 1.00 0.00 H new ATOM 0 HD11 LEU A 130 13.819 2.376 9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.284 1.525 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.285 3.277 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.795 3.852 11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.325 4.850 11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 130 13.966 4.069 12.790 1.00 0.00 H new ATOM 2038 N TRP A 131 9.410 1.876 14.227 1.00 0.00 N ATOM 2039 CA TRP A 131 8.067 1.926 14.779 1.00 0.00 C ATOM 2040 C TRP A 131 8.182 2.208 16.278 1.00 0.00 C ATOM 2041 O TRP A 131 8.156 3.363 16.700 1.00 0.00 O ATOM 2042 CB TRP A 131 7.299 0.640 14.470 1.00 0.00 C ATOM 2043 CG TRP A 131 6.839 0.524 13.015 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.182 -0.406 12.113 1.00 0.00 C ATOM 2045 CD2 TRP A 131 5.931 1.410 12.327 1.00 0.00 C ATOM 2046 NE1 TRP A 131 6.565 -0.184 10.898 1.00 0.00 N ATOM 2047 CE2 TRP A 131 5.780 0.955 11.033 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.260 2.559 12.783 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 4.963 1.588 10.088 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.448 3.179 11.827 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.285 2.734 10.520 1.00 0.00 C ATOM 0 H TRP A 131 9.680 0.970 13.844 1.00 0.00 H new ATOM 0 HA TRP A 131 7.490 2.727 14.317 1.00 0.00 H new ATOM 0 HB2 TRP A 131 7.931 -0.215 14.710 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.427 0.584 15.122 1.00 0.00 H new ATOM 0 HD1 TRP A 131 7.856 -1.226 12.312 1.00 0.00 H new ATOM 0 HE1 TRP A 131 6.667 -0.751 10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.363 2.933 13.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 4.862 1.212 9.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 3.910 4.066 12.126 1.00 0.00 H new ATOM 0 HH2 TRP A 131 3.638 3.270 9.841 1.00 0.00 H new