USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 Single : A 17 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 19 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 22 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.085) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.552 (180deg=-1.22) USER MOD Single : A 32 SER OG : rot 180:sc= -1.43 USER MOD Single : A 41 ASN : amide:sc=-0.00101 X(o=-0.001,f=-0.47) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0344) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.34) USER MOD Single : A 52 ASN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 60 THR OG1 : rot 167:sc= 1.15 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.737 F(o=-1.5,f=-0.74) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.87! C(o=-3.9!,f=-17!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -8.31! C(o=-8.3!,f=-14!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.103 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 79 THR OG1 : rot -161:sc= -2.77! USER MOD Single : A 80 HIS : no HE2:sc= -4.38! C(o=-4.4!,f=-10!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.1) USER MOD Single : A 95 GLN : amide:sc= -6.58! C(o=-6.6!,f=-8.1!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 3.968 -6.839 3.092 1.00 0.00 N ATOM 206 CA HIS A 17 4.811 -6.101 4.018 1.00 0.00 C ATOM 207 C HIS A 17 4.213 -4.714 4.262 1.00 0.00 C ATOM 208 O HIS A 17 3.987 -3.957 3.319 1.00 0.00 O ATOM 209 CB HIS A 17 6.254 -6.044 3.511 1.00 0.00 C ATOM 210 CG HIS A 17 7.188 -5.264 4.405 1.00 0.00 C ATOM 211 ND1 HIS A 17 7.780 -5.810 5.530 1.00 0.00 N ATOM 212 CD2 HIS A 17 7.627 -3.974 4.327 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.538 -4.883 6.097 1.00 0.00 C ATOM 214 NE2 HIS A 17 8.441 -3.745 5.350 1.00 0.00 N ATOM 0 HA HIS A 17 4.844 -6.618 4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.632 -7.061 3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.262 -5.597 2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.358 -3.260 3.562 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.129 -5.006 6.993 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.916 -2.864 5.546 1.00 0.00 H new ATOM 222 N VAL A 18 3.975 -4.423 5.532 1.00 0.00 N ATOM 223 CA VAL A 18 3.408 -3.140 5.912 1.00 0.00 C ATOM 224 C VAL A 18 4.456 -2.044 5.710 1.00 0.00 C ATOM 225 O VAL A 18 5.656 -2.303 5.798 1.00 0.00 O ATOM 226 CB VAL A 18 2.880 -3.206 7.347 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.752 -1.805 7.949 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.546 -3.952 7.407 1.00 0.00 C ATOM 0 H VAL A 18 4.164 -5.053 6.311 1.00 0.00 H new ATOM 0 HA VAL A 18 2.556 -2.896 5.277 1.00 0.00 H new ATOM 0 HB VAL A 18 3.602 -3.763 7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.375 -1.880 8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.729 -1.322 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.061 -1.213 7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.193 -3.984 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.812 -3.435 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.681 -4.969 7.038 1.00 0.00 H new ATOM 238 N THR A 19 3.966 -0.842 5.444 1.00 0.00 N ATOM 239 CA THR A 19 4.845 0.294 5.229 1.00 0.00 C ATOM 240 C THR A 19 4.541 1.402 6.239 1.00 0.00 C ATOM 241 O THR A 19 3.490 2.037 6.172 1.00 0.00 O ATOM 242 CB THR A 19 4.693 0.741 3.773 1.00 0.00 C ATOM 243 OG1 THR A 19 4.723 -0.476 3.032 1.00 0.00 O ATOM 244 CG2 THR A 19 5.913 1.515 3.268 1.00 0.00 C ATOM 0 H THR A 19 2.971 -0.630 5.373 1.00 0.00 H new ATOM 0 HA THR A 19 5.888 0.024 5.394 1.00 0.00 H new ATOM 0 HB THR A 19 3.803 1.362 3.675 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.819 -0.851 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.754 1.809 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.057 2.406 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.798 0.882 3.334 1.00 0.00 H new ATOM 252 N ILE A 20 5.481 1.601 7.151 1.00 0.00 N ATOM 253 CA ILE A 20 5.327 2.621 8.174 1.00 0.00 C ATOM 254 C ILE A 20 6.314 3.759 7.906 1.00 0.00 C ATOM 255 O ILE A 20 7.517 3.603 8.108 1.00 0.00 O ATOM 256 CB ILE A 20 5.462 2.007 9.569 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.388 0.943 9.806 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.445 3.090 10.650 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.003 1.581 9.933 1.00 0.00 C ATOM 0 H ILE A 20 6.352 1.073 7.203 1.00 0.00 H new ATOM 0 HA ILE A 20 4.326 3.050 8.135 1.00 0.00 H new ATOM 0 HB ILE A 20 6.429 1.508 9.630 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.390 0.230 8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.619 0.383 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.542 2.626 11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.276 3.777 10.489 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.505 3.639 10.600 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.258 0.803 10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.998 2.276 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.765 2.119 9.016 1.00 0.00 H new ATOM 271 N LEU A 21 5.767 4.879 7.455 1.00 0.00 N ATOM 272 CA LEU A 21 6.584 6.043 7.156 1.00 0.00 C ATOM 273 C LEU A 21 6.359 7.108 8.232 1.00 0.00 C ATOM 274 O LEU A 21 5.222 7.493 8.501 1.00 0.00 O ATOM 275 CB LEU A 21 6.313 6.538 5.734 1.00 0.00 C ATOM 276 CG LEU A 21 6.647 5.558 4.608 1.00 0.00 C ATOM 277 CD1 LEU A 21 8.069 5.014 4.759 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.610 4.437 4.530 1.00 0.00 C ATOM 0 H LEU A 21 4.768 5.005 7.290 1.00 0.00 H new ATOM 0 HA LEU A 21 7.642 5.782 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.258 6.803 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.884 7.453 5.574 1.00 0.00 H new ATOM 0 HG LEU A 21 6.607 6.099 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.281 4.320 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.780 5.840 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.160 4.495 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.872 3.755 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.592 3.891 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.626 4.865 4.340 1.00 0.00 H new ATOM 290 N HIS A 22 7.461 7.554 8.817 1.00 0.00 N ATOM 291 CA HIS A 22 7.398 8.567 9.857 1.00 0.00 C ATOM 292 C HIS A 22 7.611 9.950 9.240 1.00 0.00 C ATOM 293 O HIS A 22 8.737 10.321 8.913 1.00 0.00 O ATOM 294 CB HIS A 22 8.393 8.258 10.977 1.00 0.00 C ATOM 295 CG HIS A 22 8.455 6.798 11.358 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.482 6.181 12.125 1.00 0.00 N ATOM 297 CD2 HIS A 22 9.383 5.840 11.070 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.819 4.910 12.285 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.997 4.701 11.631 1.00 0.00 N ATOM 0 H HIS A 22 8.402 7.233 8.591 1.00 0.00 H new ATOM 0 HA HIS A 22 6.409 8.561 10.316 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.386 8.585 10.667 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.126 8.842 11.858 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.279 5.984 10.485 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.259 4.169 12.837 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.499 3.815 11.581 1.00 0.00 H new ATOM 307 N LYS A 23 6.511 10.676 9.098 1.00 0.00 N ATOM 308 CA LYS A 23 6.564 12.010 8.526 1.00 0.00 C ATOM 309 C LYS A 23 5.810 12.981 9.437 1.00 0.00 C ATOM 310 O LYS A 23 5.362 12.603 10.518 1.00 0.00 O ATOM 311 CB LYS A 23 6.050 11.995 7.085 1.00 0.00 C ATOM 312 CG LYS A 23 4.547 12.277 7.035 1.00 0.00 C ATOM 313 CD LYS A 23 3.862 11.411 5.976 1.00 0.00 C ATOM 314 CE LYS A 23 2.373 11.747 5.873 1.00 0.00 C ATOM 315 NZ LYS A 23 2.137 13.167 6.216 1.00 0.00 N ATOM 0 H LYS A 23 5.578 10.365 9.369 1.00 0.00 H new ATOM 0 HA LYS A 23 7.595 12.360 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.583 12.742 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.257 11.026 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.104 12.082 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.378 13.331 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.341 11.565 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.984 10.358 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.018 11.547 4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.802 11.105 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.245 13.484 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.079 13.269 7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.921 13.746 5.854 1.00 0.00 H new ATOM 329 N GLU A 24 5.694 14.215 8.967 1.00 0.00 N ATOM 330 CA GLU A 24 5.003 15.243 9.726 1.00 0.00 C ATOM 331 C GLU A 24 3.604 15.475 9.153 1.00 0.00 C ATOM 332 O GLU A 24 3.314 15.067 8.029 1.00 0.00 O ATOM 333 CB GLU A 24 5.809 16.543 9.748 1.00 0.00 C ATOM 334 CG GLU A 24 6.968 16.453 10.744 1.00 0.00 C ATOM 335 CD GLU A 24 7.145 17.771 11.499 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.413 17.958 12.496 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.008 18.564 11.064 1.00 0.00 O ATOM 0 H GLU A 24 6.067 14.526 8.070 1.00 0.00 H new ATOM 0 HA GLU A 24 4.901 14.900 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.197 16.751 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.158 17.375 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.781 15.646 11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.889 16.206 10.215 1.00 0.00 H new ATOM 344 N GLU A 25 2.773 16.130 9.951 1.00 0.00 N ATOM 345 CA GLU A 25 1.411 16.421 9.537 1.00 0.00 C ATOM 346 C GLU A 25 1.413 17.333 8.309 1.00 0.00 C ATOM 347 O GLU A 25 1.633 18.538 8.427 1.00 0.00 O ATOM 348 CB GLU A 25 0.612 17.045 10.683 1.00 0.00 C ATOM 349 CG GLU A 25 -0.125 15.971 11.486 1.00 0.00 C ATOM 350 CD GLU A 25 -0.237 16.369 12.959 1.00 0.00 C ATOM 351 OE1 GLU A 25 0.785 16.850 13.497 1.00 0.00 O ATOM 352 OE2 GLU A 25 -1.341 16.184 13.515 1.00 0.00 O ATOM 0 H GLU A 25 3.017 16.467 10.882 1.00 0.00 H new ATOM 0 HA GLU A 25 0.925 15.483 9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.283 17.599 11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.105 17.761 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.121 15.820 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.404 15.021 11.401 1.00 0.00 H new ATOM 359 N GLY A 26 1.166 16.725 7.159 1.00 0.00 N ATOM 360 CA GLY A 26 1.137 17.467 5.910 1.00 0.00 C ATOM 361 C GLY A 26 2.551 17.688 5.370 1.00 0.00 C ATOM 362 O GLY A 26 2.863 18.761 4.856 1.00 0.00 O ATOM 0 H GLY A 26 0.984 15.726 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.544 16.924 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.649 18.429 6.066 1.00 0.00 H new ATOM 366 N ALA A 27 3.370 16.655 5.505 1.00 0.00 N ATOM 367 CA ALA A 27 4.744 16.722 5.037 1.00 0.00 C ATOM 368 C ALA A 27 4.837 16.088 3.648 1.00 0.00 C ATOM 369 O ALA A 27 5.701 16.451 2.852 1.00 0.00 O ATOM 370 CB ALA A 27 5.663 16.040 6.052 1.00 0.00 C ATOM 0 H ALA A 27 3.108 15.767 5.932 1.00 0.00 H new ATOM 0 HA ALA A 27 5.069 17.759 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.694 16.090 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.582 16.546 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.369 14.997 6.166 1.00 0.00 H new ATOM 376 N GLY A 28 3.934 15.151 3.399 1.00 0.00 N ATOM 377 CA GLY A 28 3.903 14.463 2.119 1.00 0.00 C ATOM 378 C GLY A 28 4.528 13.071 2.230 1.00 0.00 C ATOM 379 O GLY A 28 5.408 12.846 3.060 1.00 0.00 O ATOM 0 H GLY A 28 3.218 14.852 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.873 14.377 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.441 15.049 1.374 1.00 0.00 H new ATOM 383 N LEU A 29 4.050 12.172 1.382 1.00 0.00 N ATOM 384 CA LEU A 29 4.551 10.809 1.374 1.00 0.00 C ATOM 385 C LEU A 29 5.851 10.752 0.569 1.00 0.00 C ATOM 386 O LEU A 29 6.837 10.168 1.015 1.00 0.00 O ATOM 387 CB LEU A 29 3.474 9.845 0.873 1.00 0.00 C ATOM 388 CG LEU A 29 2.184 9.794 1.694 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.099 9.001 0.963 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.448 9.245 3.097 1.00 0.00 C ATOM 0 H LEU A 29 3.320 12.362 0.695 1.00 0.00 H new ATOM 0 HA LEU A 29 4.789 10.485 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.219 10.117 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.900 8.842 0.839 1.00 0.00 H new ATOM 0 HG LEU A 29 1.814 10.813 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.193 8.980 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.885 9.475 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.445 7.981 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.515 9.219 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.854 8.236 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.163 9.887 3.610 1.00 0.00 H new ATOM 402 N GLY A 30 5.809 11.366 -0.604 1.00 0.00 N ATOM 403 CA GLY A 30 6.971 11.393 -1.476 1.00 0.00 C ATOM 404 C GLY A 30 6.667 10.719 -2.816 1.00 0.00 C ATOM 405 O GLY A 30 7.442 10.836 -3.764 1.00 0.00 O ATOM 0 H GLY A 30 4.989 11.849 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.279 12.425 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.806 10.887 -0.991 1.00 0.00 H new ATOM 409 N PHE A 31 5.538 10.027 -2.851 1.00 0.00 N ATOM 410 CA PHE A 31 5.122 9.334 -4.058 1.00 0.00 C ATOM 411 C PHE A 31 3.663 9.648 -4.396 1.00 0.00 C ATOM 412 O PHE A 31 2.936 10.200 -3.571 1.00 0.00 O ATOM 413 CB PHE A 31 5.258 7.835 -3.783 1.00 0.00 C ATOM 414 CG PHE A 31 4.122 7.251 -2.941 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.046 7.532 -1.613 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.188 6.451 -3.521 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.992 6.990 -0.831 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.133 5.910 -2.740 1.00 0.00 C ATOM 419 CZ PHE A 31 2.057 6.190 -1.411 1.00 0.00 C ATOM 0 H PHE A 31 4.898 9.931 -2.062 1.00 0.00 H new ATOM 0 HA PHE A 31 5.738 9.651 -4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.301 7.304 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.204 7.654 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.788 8.168 -1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.249 6.227 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.933 7.213 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.390 5.276 -3.201 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.255 5.778 -0.817 1.00 0.00 H new ATOM 429 N SER A 32 3.278 9.282 -5.610 1.00 0.00 N ATOM 430 CA SER A 32 1.919 9.518 -6.066 1.00 0.00 C ATOM 431 C SER A 32 1.236 8.186 -6.385 1.00 0.00 C ATOM 432 O SER A 32 1.877 7.137 -6.372 1.00 0.00 O ATOM 433 CB SER A 32 1.901 10.431 -7.294 1.00 0.00 C ATOM 434 OG SER A 32 1.395 9.764 -8.447 1.00 0.00 O ATOM 0 H SER A 32 3.883 8.824 -6.291 1.00 0.00 H new ATOM 0 HA SER A 32 1.372 10.018 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.289 11.308 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.911 10.788 -7.495 1.00 0.00 H new ATOM 0 HG SER A 32 1.398 10.380 -9.209 1.00 0.00 H new ATOM 440 N LEU A 33 -0.057 8.273 -6.664 1.00 0.00 N ATOM 441 CA LEU A 33 -0.834 7.088 -6.985 1.00 0.00 C ATOM 442 C LEU A 33 -1.070 7.032 -8.496 1.00 0.00 C ATOM 443 O LEU A 33 -1.049 8.061 -9.169 1.00 0.00 O ATOM 444 CB LEU A 33 -2.122 7.052 -6.159 1.00 0.00 C ATOM 445 CG LEU A 33 -1.946 6.868 -4.650 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.153 6.153 -4.041 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.633 6.149 -4.335 1.00 0.00 C ATOM 0 H LEU A 33 -0.585 9.145 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.284 6.187 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.666 7.981 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.748 6.242 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.891 7.854 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.003 6.035 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.053 6.742 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.265 5.172 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.533 6.031 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.633 5.167 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.203 6.736 -4.715 1.00 0.00 H new ATOM 459 N ALA A 34 -1.290 5.820 -8.984 1.00 0.00 N ATOM 460 CA ALA A 34 -1.530 5.617 -10.402 1.00 0.00 C ATOM 461 C ALA A 34 -2.642 4.582 -10.584 1.00 0.00 C ATOM 462 O ALA A 34 -2.822 3.704 -9.741 1.00 0.00 O ATOM 463 CB ALA A 34 -0.227 5.199 -11.086 1.00 0.00 C ATOM 0 H ALA A 34 -1.307 4.969 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.862 6.543 -10.871 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.407 5.047 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.521 5.981 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.135 4.271 -10.643 1.00 0.00 H new ATOM 469 N GLY A 35 -3.359 4.719 -11.689 1.00 0.00 N ATOM 470 CA GLY A 35 -4.449 3.807 -11.992 1.00 0.00 C ATOM 471 C GLY A 35 -5.763 4.299 -11.382 1.00 0.00 C ATOM 472 O GLY A 35 -5.798 5.347 -10.737 1.00 0.00 O ATOM 0 H GLY A 35 -3.207 5.448 -12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.559 3.712 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.215 2.814 -11.607 1.00 0.00 H new ATOM 476 N GLY A 36 -6.811 3.521 -11.606 1.00 0.00 N ATOM 477 CA GLY A 36 -8.124 3.865 -11.087 1.00 0.00 C ATOM 478 C GLY A 36 -9.195 2.918 -11.631 1.00 0.00 C ATOM 479 O GLY A 36 -8.927 2.125 -12.533 1.00 0.00 O ATOM 0 H GLY A 36 -6.778 2.653 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.112 3.819 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.369 4.892 -11.360 1.00 0.00 H new ATOM 483 N ALA A 37 -10.385 3.031 -11.060 1.00 0.00 N ATOM 484 CA ALA A 37 -11.497 2.194 -11.476 1.00 0.00 C ATOM 485 C ALA A 37 -11.946 2.611 -12.878 1.00 0.00 C ATOM 486 O ALA A 37 -12.277 1.763 -13.706 1.00 0.00 O ATOM 487 CB ALA A 37 -12.626 2.296 -10.448 1.00 0.00 C ATOM 0 H ALA A 37 -10.603 3.690 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.193 1.148 -11.524 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.460 1.668 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.264 1.962 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.959 3.331 -10.375 1.00 0.00 H new ATOM 493 N ASP A 38 -11.944 3.917 -13.102 1.00 0.00 N ATOM 494 CA ASP A 38 -12.347 4.456 -14.389 1.00 0.00 C ATOM 495 C ASP A 38 -11.254 4.171 -15.422 1.00 0.00 C ATOM 496 O ASP A 38 -11.515 4.174 -16.624 1.00 0.00 O ATOM 497 CB ASP A 38 -12.542 5.972 -14.315 1.00 0.00 C ATOM 498 CG ASP A 38 -12.984 6.632 -15.622 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.195 6.549 -15.919 1.00 0.00 O ATOM 500 OD2 ASP A 38 -12.100 7.206 -16.295 1.00 0.00 O ATOM 0 H ASP A 38 -11.669 4.618 -12.413 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.288 3.984 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.283 6.191 -13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.606 6.428 -13.994 1.00 0.00 H new ATOM 505 N LEU A 39 -10.054 3.930 -14.915 1.00 0.00 N ATOM 506 CA LEU A 39 -8.921 3.643 -15.778 1.00 0.00 C ATOM 507 C LEU A 39 -8.887 2.145 -16.086 1.00 0.00 C ATOM 508 O LEU A 39 -9.843 1.426 -15.797 1.00 0.00 O ATOM 509 CB LEU A 39 -7.627 4.172 -15.157 1.00 0.00 C ATOM 510 CG LEU A 39 -7.559 5.685 -14.935 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.772 6.178 -14.145 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.240 6.082 -14.269 1.00 0.00 C ATOM 0 H LEU A 39 -9.842 3.928 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.026 4.163 -16.730 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.479 3.677 -14.197 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.794 3.881 -15.798 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.588 6.175 -15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.699 7.256 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.684 5.946 -14.696 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.799 5.683 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.217 7.162 -14.122 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.155 5.583 -13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.407 5.784 -14.906 1.00 0.00 H new ATOM 524 N GLU A 40 -7.777 1.718 -16.670 1.00 0.00 N ATOM 525 CA GLU A 40 -7.606 0.319 -17.021 1.00 0.00 C ATOM 526 C GLU A 40 -7.094 -0.472 -15.815 1.00 0.00 C ATOM 527 O GLU A 40 -7.312 -1.679 -15.722 1.00 0.00 O ATOM 528 CB GLU A 40 -6.665 0.164 -18.217 1.00 0.00 C ATOM 529 CG GLU A 40 -7.323 0.672 -19.502 1.00 0.00 C ATOM 530 CD GLU A 40 -7.641 -0.487 -20.450 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.675 -1.021 -21.036 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.842 -0.811 -20.567 1.00 0.00 O ATOM 0 H GLU A 40 -6.987 2.317 -16.909 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.577 -0.084 -17.310 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.743 0.716 -18.033 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.390 -0.884 -18.335 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.240 1.209 -19.258 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.661 1.381 -19.998 1.00 0.00 H new ATOM 539 N ASN A 41 -6.422 0.240 -14.922 1.00 0.00 N ATOM 540 CA ASN A 41 -5.878 -0.380 -13.727 1.00 0.00 C ATOM 541 C ASN A 41 -6.853 -0.181 -12.565 1.00 0.00 C ATOM 542 O ASN A 41 -6.887 0.886 -11.954 1.00 0.00 O ATOM 543 CB ASN A 41 -4.542 0.255 -13.337 1.00 0.00 C ATOM 544 CG ASN A 41 -3.473 -0.020 -14.397 1.00 0.00 C ATOM 545 OD1 ASN A 41 -3.383 -1.099 -14.959 1.00 0.00 O ATOM 546 ND2 ASN A 41 -2.672 1.014 -14.638 1.00 0.00 N ATOM 0 H ASN A 41 -6.242 1.241 -15.003 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.727 -1.439 -13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.669 1.331 -13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.215 -0.139 -12.375 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.927 0.932 -15.330 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.803 1.889 -14.131 1.00 0.00 H new ATOM 553 N LYS A 42 -7.622 -1.225 -12.294 1.00 0.00 N ATOM 554 CA LYS A 42 -8.596 -1.179 -11.216 1.00 0.00 C ATOM 555 C LYS A 42 -7.874 -0.910 -9.895 1.00 0.00 C ATOM 556 O LYS A 42 -8.305 -0.069 -9.107 1.00 0.00 O ATOM 557 CB LYS A 42 -9.445 -2.451 -11.206 1.00 0.00 C ATOM 558 CG LYS A 42 -10.481 -2.429 -12.331 1.00 0.00 C ATOM 559 CD LYS A 42 -11.373 -1.189 -12.230 1.00 0.00 C ATOM 560 CE LYS A 42 -12.803 -1.507 -12.670 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.833 -1.896 -14.098 1.00 0.00 N ATOM 0 H LYS A 42 -7.591 -2.109 -12.802 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.297 -0.358 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.801 -3.323 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.949 -2.548 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.975 -2.440 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.095 -3.328 -12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.377 -0.822 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.966 -0.392 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.207 -2.314 -12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.440 -0.637 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.820 -1.993 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.360 -1.165 -14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.340 -2.804 -14.221 1.00 0.00 H new ATOM 575 N VAL A 43 -6.787 -1.640 -9.692 1.00 0.00 N ATOM 576 CA VAL A 43 -6.001 -1.491 -8.479 1.00 0.00 C ATOM 577 C VAL A 43 -4.957 -0.392 -8.684 1.00 0.00 C ATOM 578 O VAL A 43 -4.092 -0.506 -9.550 1.00 0.00 O ATOM 579 CB VAL A 43 -5.384 -2.836 -8.087 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.680 -3.485 -9.280 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.424 -2.675 -6.906 1.00 0.00 C ATOM 0 H VAL A 43 -6.432 -2.336 -10.347 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.636 -1.185 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.193 -3.497 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.251 -4.439 -8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.400 -3.651 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.887 -2.828 -9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.999 -3.645 -6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.622 -1.989 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.966 -2.276 -6.049 1.00 0.00 H new ATOM 591 N ILE A 44 -5.074 0.649 -7.872 1.00 0.00 N ATOM 592 CA ILE A 44 -4.151 1.769 -7.954 1.00 0.00 C ATOM 593 C ILE A 44 -2.727 1.271 -7.699 1.00 0.00 C ATOM 594 O ILE A 44 -2.532 0.250 -7.040 1.00 0.00 O ATOM 595 CB ILE A 44 -4.588 2.893 -7.012 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.800 3.639 -7.574 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.423 3.838 -6.709 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.961 2.678 -7.839 1.00 0.00 C ATOM 0 H ILE A 44 -5.793 0.740 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.163 2.200 -8.955 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.895 2.447 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.115 4.410 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.523 4.145 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.760 4.628 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.615 3.280 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.063 4.281 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.810 3.234 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.650 1.922 -8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.251 2.192 -6.907 1.00 0.00 H new ATOM 610 N THR A 45 -1.770 2.014 -8.233 1.00 0.00 N ATOM 611 CA THR A 45 -0.370 1.661 -8.071 1.00 0.00 C ATOM 612 C THR A 45 0.474 2.916 -7.837 1.00 0.00 C ATOM 613 O THR A 45 -0.057 4.024 -7.790 1.00 0.00 O ATOM 614 CB THR A 45 0.061 0.860 -9.301 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.718 1.406 -10.362 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.380 -0.604 -9.231 1.00 0.00 C ATOM 0 H THR A 45 -1.936 2.860 -8.779 1.00 0.00 H new ATOM 0 HA THR A 45 -0.219 1.038 -7.190 1.00 0.00 H new ATOM 0 HB THR A 45 1.145 0.908 -9.403 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.500 0.945 -11.199 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.049 -1.127 -10.128 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.061 -1.075 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.467 -0.654 -9.162 1.00 0.00 H new ATOM 624 N VAL A 46 1.773 2.699 -7.697 1.00 0.00 N ATOM 625 CA VAL A 46 2.695 3.799 -7.469 1.00 0.00 C ATOM 626 C VAL A 46 3.068 4.432 -8.811 1.00 0.00 C ATOM 627 O VAL A 46 3.923 3.915 -9.529 1.00 0.00 O ATOM 628 CB VAL A 46 3.911 3.307 -6.682 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.745 4.484 -6.171 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.486 2.396 -5.529 1.00 0.00 C ATOM 0 H VAL A 46 2.209 1.778 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 46 2.224 4.574 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 46 4.534 2.722 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.603 4.107 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.093 5.078 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.134 5.106 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.369 2.060 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.832 2.946 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.954 1.531 -5.926 1.00 0.00 H new ATOM 640 N HIS A 47 2.409 5.542 -9.110 1.00 0.00 N ATOM 641 CA HIS A 47 2.660 6.250 -10.353 1.00 0.00 C ATOM 642 C HIS A 47 4.133 6.661 -10.420 1.00 0.00 C ATOM 643 O HIS A 47 4.851 6.260 -11.335 1.00 0.00 O ATOM 644 CB HIS A 47 1.707 7.437 -10.504 1.00 0.00 C ATOM 645 CG HIS A 47 1.559 7.929 -11.924 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.642 8.899 -12.290 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.220 7.575 -13.063 1.00 0.00 C ATOM 648 CE1 HIS A 47 0.755 9.111 -13.593 1.00 0.00 C ATOM 649 NE2 HIS A 47 1.733 8.289 -14.070 1.00 0.00 N ATOM 0 H HIS A 47 1.701 5.968 -8.512 1.00 0.00 H new ATOM 0 HA HIS A 47 2.463 5.590 -11.198 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.726 7.152 -10.125 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.064 8.258 -9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.007 6.838 -13.134 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.175 9.812 -14.175 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.040 8.232 -15.041 1.00 0.00 H new ATOM 657 N ARG A 48 4.538 7.455 -9.440 1.00 0.00 N ATOM 658 CA ARG A 48 5.912 7.924 -9.377 1.00 0.00 C ATOM 659 C ARG A 48 6.343 8.110 -7.921 1.00 0.00 C ATOM 660 O ARG A 48 5.507 8.326 -7.045 1.00 0.00 O ATOM 661 CB ARG A 48 6.077 9.249 -10.124 1.00 0.00 C ATOM 662 CG ARG A 48 6.855 9.051 -11.427 1.00 0.00 C ATOM 663 CD ARG A 48 5.911 9.033 -12.631 1.00 0.00 C ATOM 664 NE ARG A 48 6.648 9.413 -13.857 1.00 0.00 N ATOM 665 CZ ARG A 48 7.106 10.647 -14.106 1.00 0.00 C ATOM 666 NH1 ARG A 48 6.905 11.629 -13.217 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.764 10.900 -15.246 1.00 0.00 N ATOM 0 H ARG A 48 3.939 7.785 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 48 6.541 7.172 -9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.096 9.672 -10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.599 9.966 -9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.585 9.852 -11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.413 8.115 -11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.479 8.040 -12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.084 9.723 -12.465 1.00 0.00 H new ATOM 0 HE ARG A 48 6.818 8.690 -14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.403 11.437 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.254 12.568 -13.407 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.916 10.153 -15.924 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.113 11.840 -15.436 1.00 0.00 H new ATOM 681 N VAL A 49 7.647 8.020 -7.707 1.00 0.00 N ATOM 682 CA VAL A 49 8.199 8.176 -6.372 1.00 0.00 C ATOM 683 C VAL A 49 9.247 9.291 -6.385 1.00 0.00 C ATOM 684 O VAL A 49 10.393 9.065 -6.770 1.00 0.00 O ATOM 685 CB VAL A 49 8.754 6.840 -5.875 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.109 6.912 -4.389 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.769 5.701 -6.150 1.00 0.00 C ATOM 0 H VAL A 49 8.338 7.841 -8.436 1.00 0.00 H new ATOM 0 HA VAL A 49 7.420 8.470 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 49 9.670 6.631 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.501 5.949 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.863 7.683 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.216 7.155 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.188 4.762 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.829 5.901 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.588 5.627 -7.222 1.00 0.00 H new ATOM 697 N PHE A 50 8.817 10.469 -5.959 1.00 0.00 N ATOM 698 CA PHE A 50 9.704 11.619 -5.917 1.00 0.00 C ATOM 699 C PHE A 50 11.100 11.218 -5.437 1.00 0.00 C ATOM 700 O PHE A 50 11.251 10.242 -4.704 1.00 0.00 O ATOM 701 CB PHE A 50 9.101 12.613 -4.922 1.00 0.00 C ATOM 702 CG PHE A 50 7.646 12.984 -5.216 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.087 12.649 -6.410 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.912 13.649 -4.285 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.737 12.993 -6.684 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.562 13.993 -4.558 1.00 0.00 C ATOM 707 CZ PHE A 50 5.003 13.658 -5.752 1.00 0.00 C ATOM 0 H PHE A 50 7.866 10.652 -5.640 1.00 0.00 H new ATOM 0 HA PHE A 50 9.802 12.050 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.162 12.190 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.704 13.521 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.670 12.121 -7.150 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.356 13.916 -3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.293 12.727 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.979 14.521 -3.818 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.976 13.920 -5.960 1.00 0.00 H new ATOM 717 N PRO A 51 12.111 12.012 -5.881 1.00 0.00 N ATOM 718 CA PRO A 51 13.489 11.750 -5.504 1.00 0.00 C ATOM 719 C PRO A 51 13.751 12.167 -4.055 1.00 0.00 C ATOM 720 O PRO A 51 14.638 11.624 -3.400 1.00 0.00 O ATOM 721 CB PRO A 51 14.326 12.527 -6.507 1.00 0.00 C ATOM 722 CG PRO A 51 13.393 13.562 -7.115 1.00 0.00 C ATOM 723 CD PRO A 51 11.969 13.177 -6.749 1.00 0.00 C ATOM 0 HA PRO A 51 13.739 10.689 -5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.175 13.005 -6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.729 11.866 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.629 14.557 -6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.513 13.595 -8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.458 13.992 -6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.382 12.940 -7.637 1.00 0.00 H new ATOM 731 N ASN A 52 12.962 13.129 -3.599 1.00 0.00 N ATOM 732 CA ASN A 52 13.097 13.625 -2.240 1.00 0.00 C ATOM 733 C ASN A 52 11.807 13.343 -1.468 1.00 0.00 C ATOM 734 O ASN A 52 10.922 14.195 -1.399 1.00 0.00 O ATOM 735 CB ASN A 52 13.335 15.136 -2.227 1.00 0.00 C ATOM 736 CG ASN A 52 14.695 15.482 -2.838 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.676 15.703 -2.147 1.00 0.00 O ATOM 738 ND2 ASN A 52 14.698 15.517 -4.167 1.00 0.00 N ATOM 0 H ASN A 52 12.228 13.578 -4.146 1.00 0.00 H new ATOM 0 HA ASN A 52 13.947 13.122 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.544 15.637 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.287 15.507 -1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.557 15.739 -4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.841 15.322 -4.684 1.00 0.00 H new ATOM 745 N GLY A 53 11.741 12.145 -0.906 1.00 0.00 N ATOM 746 CA GLY A 53 10.574 11.741 -0.141 1.00 0.00 C ATOM 747 C GLY A 53 10.908 10.580 0.798 1.00 0.00 C ATOM 748 O GLY A 53 12.076 10.233 0.970 1.00 0.00 O ATOM 0 H GLY A 53 12.477 11.441 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.204 12.587 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.774 11.446 -0.820 1.00 0.00 H new ATOM 752 N LEU A 54 9.863 10.011 1.380 1.00 0.00 N ATOM 753 CA LEU A 54 10.031 8.896 2.296 1.00 0.00 C ATOM 754 C LEU A 54 9.829 7.583 1.538 1.00 0.00 C ATOM 755 O LEU A 54 10.651 6.673 1.635 1.00 0.00 O ATOM 756 CB LEU A 54 9.110 9.055 3.508 1.00 0.00 C ATOM 757 CG LEU A 54 9.142 10.419 4.200 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.728 10.892 4.544 1.00 0.00 C ATOM 759 CD2 LEU A 54 10.051 10.389 5.430 1.00 0.00 C ATOM 0 H LEU A 54 8.896 10.301 1.235 1.00 0.00 H new ATOM 0 HA LEU A 54 11.045 8.881 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.087 8.855 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.372 8.292 4.241 1.00 0.00 H new ATOM 0 HG LEU A 54 9.565 11.145 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.779 11.864 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.140 10.978 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.256 10.172 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.056 11.371 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.681 9.647 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.065 10.127 5.127 1.00 0.00 H new ATOM 771 N ALA A 55 8.729 7.526 0.800 1.00 0.00 N ATOM 772 CA ALA A 55 8.409 6.339 0.026 1.00 0.00 C ATOM 773 C ALA A 55 9.642 5.904 -0.768 1.00 0.00 C ATOM 774 O ALA A 55 9.878 4.711 -0.952 1.00 0.00 O ATOM 775 CB ALA A 55 7.207 6.627 -0.876 1.00 0.00 C ATOM 0 H ALA A 55 8.049 8.282 0.722 1.00 0.00 H new ATOM 0 HA ALA A 55 8.134 5.515 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.966 5.737 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.349 6.902 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.448 7.447 -1.552 1.00 0.00 H new ATOM 781 N SER A 56 10.397 6.896 -1.217 1.00 0.00 N ATOM 782 CA SER A 56 11.600 6.632 -1.987 1.00 0.00 C ATOM 783 C SER A 56 12.733 6.198 -1.055 1.00 0.00 C ATOM 784 O SER A 56 13.419 5.212 -1.322 1.00 0.00 O ATOM 785 CB SER A 56 12.020 7.862 -2.795 1.00 0.00 C ATOM 786 OG SER A 56 13.169 7.607 -3.597 1.00 0.00 O ATOM 0 H SER A 56 10.198 7.884 -1.062 1.00 0.00 H new ATOM 0 HA SER A 56 11.386 5.826 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.194 8.175 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.228 8.688 -2.115 1.00 0.00 H new ATOM 0 HG SER A 56 13.404 8.416 -4.098 1.00 0.00 H new ATOM 792 N GLN A 57 12.895 6.955 0.020 1.00 0.00 N ATOM 793 CA GLN A 57 13.933 6.661 0.993 1.00 0.00 C ATOM 794 C GLN A 57 13.818 5.211 1.471 1.00 0.00 C ATOM 795 O GLN A 57 14.775 4.445 1.376 1.00 0.00 O ATOM 796 CB GLN A 57 13.870 7.633 2.173 1.00 0.00 C ATOM 797 CG GLN A 57 14.731 8.870 1.910 1.00 0.00 C ATOM 798 CD GLN A 57 15.603 9.200 3.123 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.454 10.226 3.767 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.518 8.275 3.399 1.00 0.00 N ATOM 0 H GLN A 57 12.325 7.772 0.239 1.00 0.00 H new ATOM 0 HA GLN A 57 14.902 6.789 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.837 7.935 2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.212 7.133 3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.363 8.699 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.090 9.720 1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.589 7.439 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.149 8.402 4.191 1.00 0.00 H new ATOM 809 N GLU A 58 12.638 4.880 1.974 1.00 0.00 N ATOM 810 CA GLU A 58 12.385 3.536 2.466 1.00 0.00 C ATOM 811 C GLU A 58 12.637 2.509 1.360 1.00 0.00 C ATOM 812 O GLU A 58 13.231 1.461 1.606 1.00 0.00 O ATOM 813 CB GLU A 58 10.962 3.412 3.015 1.00 0.00 C ATOM 814 CG GLU A 58 10.974 3.251 4.537 1.00 0.00 C ATOM 815 CD GLU A 58 10.857 1.777 4.933 1.00 0.00 C ATOM 816 OE1 GLU A 58 9.813 1.180 4.594 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.814 1.282 5.566 1.00 0.00 O ATOM 0 H GLU A 58 11.847 5.519 2.052 1.00 0.00 H new ATOM 0 HA GLU A 58 13.075 3.335 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.385 4.296 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.466 2.555 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.895 3.668 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.149 3.815 4.973 1.00 0.00 H new ATOM 824 N GLY A 59 12.173 2.847 0.166 1.00 0.00 N ATOM 825 CA GLY A 59 12.341 1.967 -0.978 1.00 0.00 C ATOM 826 C GLY A 59 11.219 0.929 -1.041 1.00 0.00 C ATOM 827 O GLY A 59 11.130 0.163 -1.999 1.00 0.00 O ATOM 0 H GLY A 59 11.681 3.718 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.349 2.555 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.305 1.462 -0.915 1.00 0.00 H new ATOM 831 N THR A 60 10.390 0.937 -0.006 1.00 0.00 N ATOM 832 CA THR A 60 9.278 0.005 0.068 1.00 0.00 C ATOM 833 C THR A 60 8.290 0.261 -1.071 1.00 0.00 C ATOM 834 O THR A 60 7.891 -0.667 -1.773 1.00 0.00 O ATOM 835 CB THR A 60 8.649 0.130 1.457 1.00 0.00 C ATOM 836 OG1 THR A 60 9.766 0.177 2.341 1.00 0.00 O ATOM 837 CG2 THR A 60 7.897 -1.135 1.875 1.00 0.00 C ATOM 0 H THR A 60 10.467 1.574 0.787 1.00 0.00 H new ATOM 0 HA THR A 60 9.615 -1.023 -0.062 1.00 0.00 H new ATOM 0 HB THR A 60 7.966 0.980 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.470 0.472 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.470 -0.993 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.098 -1.336 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.587 -1.979 1.894 1.00 0.00 H new ATOM 845 N ILE A 61 7.924 1.526 -1.221 1.00 0.00 N ATOM 846 CA ILE A 61 6.990 1.917 -2.263 1.00 0.00 C ATOM 847 C ILE A 61 7.771 2.428 -3.476 1.00 0.00 C ATOM 848 O ILE A 61 8.059 3.619 -3.576 1.00 0.00 O ATOM 849 CB ILE A 61 5.971 2.920 -1.721 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.424 2.468 -0.365 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.853 3.169 -2.736 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.524 3.542 0.249 1.00 0.00 C ATOM 0 H ILE A 61 8.258 2.293 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 61 6.409 1.057 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 61 6.479 3.871 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.861 1.543 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.251 2.252 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.142 3.886 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.279 3.567 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.340 2.231 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.149 3.195 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.096 4.459 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.685 3.738 -0.418 1.00 0.00 H new ATOM 864 N GLN A 62 8.090 1.501 -4.368 1.00 0.00 N ATOM 865 CA GLN A 62 8.832 1.843 -5.569 1.00 0.00 C ATOM 866 C GLN A 62 7.898 1.866 -6.781 1.00 0.00 C ATOM 867 O GLN A 62 7.185 0.898 -7.038 1.00 0.00 O ATOM 868 CB GLN A 62 9.994 0.873 -5.791 1.00 0.00 C ATOM 869 CG GLN A 62 11.124 1.133 -4.794 1.00 0.00 C ATOM 870 CD GLN A 62 12.069 -0.067 -4.709 1.00 0.00 C ATOM 871 OE1 GLN A 62 11.501 -1.169 -4.228 1.00 0.00 O flip ATOM 872 NE2 GLN A 62 13.236 0.003 -5.059 1.00 0.00 N flip ATOM 0 H GLN A 62 7.848 0.514 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 62 9.254 2.840 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.641 -0.153 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.371 0.978 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.682 2.019 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.704 1.340 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.608 0.881 -5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.839 -0.817 -4.991 1.00 0.00 H new ATOM 881 N LYS A 63 7.932 2.983 -7.493 1.00 0.00 N ATOM 882 CA LYS A 63 7.097 3.145 -8.671 1.00 0.00 C ATOM 883 C LYS A 63 7.048 1.824 -9.442 1.00 0.00 C ATOM 884 O LYS A 63 8.024 1.439 -10.084 1.00 0.00 O ATOM 885 CB LYS A 63 7.580 4.329 -9.512 1.00 0.00 C ATOM 886 CG LYS A 63 7.258 4.118 -10.992 1.00 0.00 C ATOM 887 CD LYS A 63 7.828 5.254 -11.844 1.00 0.00 C ATOM 888 CE LYS A 63 9.235 4.915 -12.340 1.00 0.00 C ATOM 889 NZ LYS A 63 9.857 6.094 -12.983 1.00 0.00 N ATOM 0 H LYS A 63 8.525 3.784 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 63 6.074 3.385 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.107 5.246 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.655 4.456 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.671 3.166 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.178 4.063 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.173 5.438 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.857 6.173 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.851 4.582 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.187 4.089 -13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.811 5.846 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.277 6.394 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.920 6.872 -12.295 1.00 0.00 H new ATOM 903 N GLY A 64 5.902 1.166 -9.352 1.00 0.00 N ATOM 904 CA GLY A 64 5.712 -0.104 -10.032 1.00 0.00 C ATOM 905 C GLY A 64 4.933 -1.085 -9.155 1.00 0.00 C ATOM 906 O GLY A 64 4.415 -2.087 -9.647 1.00 0.00 O ATOM 0 H GLY A 64 5.095 1.489 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.176 0.057 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.681 -0.531 -10.289 1.00 0.00 H new ATOM 910 N ASN A 65 4.873 -0.764 -7.871 1.00 0.00 N ATOM 911 CA ASN A 65 4.166 -1.604 -6.921 1.00 0.00 C ATOM 912 C ASN A 65 2.736 -1.833 -7.415 1.00 0.00 C ATOM 913 O ASN A 65 2.399 -1.470 -8.541 1.00 0.00 O ATOM 914 CB ASN A 65 4.089 -0.938 -5.546 1.00 0.00 C ATOM 915 CG ASN A 65 5.487 -0.724 -4.962 1.00 0.00 C ATOM 916 OD1 ASN A 65 5.864 0.369 -4.571 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.232 -1.825 -4.925 1.00 0.00 N ATOM 0 H ASN A 65 5.303 0.068 -7.466 1.00 0.00 H new ATOM 0 HA ASN A 65 4.708 -2.546 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.575 0.020 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.499 -1.558 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.181 -1.786 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.854 -2.708 -5.269 1.00 0.00 H new ATOM 924 N GLU A 66 1.934 -2.435 -6.549 1.00 0.00 N ATOM 925 CA GLU A 66 0.548 -2.717 -6.884 1.00 0.00 C ATOM 926 C GLU A 66 -0.390 -1.929 -5.968 1.00 0.00 C ATOM 927 O GLU A 66 -1.569 -1.763 -6.275 1.00 0.00 O ATOM 928 CB GLU A 66 0.259 -4.217 -6.805 1.00 0.00 C ATOM 929 CG GLU A 66 -0.202 -4.614 -5.401 1.00 0.00 C ATOM 930 CD GLU A 66 0.879 -4.307 -4.362 1.00 0.00 C ATOM 931 OE1 GLU A 66 1.970 -4.904 -4.485 1.00 0.00 O ATOM 932 OE2 GLU A 66 0.589 -3.483 -3.468 1.00 0.00 O ATOM 0 H GLU A 66 2.217 -2.735 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 66 0.371 -2.400 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.509 -4.482 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.155 -4.778 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.117 -4.077 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.441 -5.677 -5.380 1.00 0.00 H new ATOM 939 N VAL A 67 0.169 -1.464 -4.860 1.00 0.00 N ATOM 940 CA VAL A 67 -0.603 -0.697 -3.897 1.00 0.00 C ATOM 941 C VAL A 67 -1.941 -1.397 -3.649 1.00 0.00 C ATOM 942 O VAL A 67 -2.906 -1.175 -4.379 1.00 0.00 O ATOM 943 CB VAL A 67 -0.764 0.744 -4.384 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.265 1.651 -3.258 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.546 1.274 -4.971 1.00 0.00 C ATOM 0 H VAL A 67 1.147 -1.604 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.080 -0.647 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.513 0.748 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.371 2.670 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.231 1.292 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.550 1.638 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.404 2.300 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.324 1.248 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.845 0.652 -5.814 1.00 0.00 H new ATOM 955 N LEU A 68 -1.956 -2.228 -2.618 1.00 0.00 N ATOM 956 CA LEU A 68 -3.159 -2.962 -2.265 1.00 0.00 C ATOM 957 C LEU A 68 -4.159 -2.008 -1.608 1.00 0.00 C ATOM 958 O LEU A 68 -5.327 -1.968 -1.990 1.00 0.00 O ATOM 959 CB LEU A 68 -2.812 -4.178 -1.403 1.00 0.00 C ATOM 960 CG LEU A 68 -1.729 -5.105 -1.957 1.00 0.00 C ATOM 961 CD1 LEU A 68 -0.733 -5.500 -0.865 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.349 -6.328 -2.636 1.00 0.00 C ATOM 0 H LEU A 68 -1.154 -2.410 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.638 -3.361 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.493 -3.824 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.720 -4.762 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.172 -4.561 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.026 -6.159 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.256 -4.605 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.259 -6.018 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.557 -6.971 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.946 -6.882 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.986 -6.003 -3.459 1.00 0.00 H new ATOM 974 N SER A 69 -3.663 -1.263 -0.631 1.00 0.00 N ATOM 975 CA SER A 69 -4.498 -0.312 0.083 1.00 0.00 C ATOM 976 C SER A 69 -3.629 0.784 0.704 1.00 0.00 C ATOM 977 O SER A 69 -2.405 0.753 0.586 1.00 0.00 O ATOM 978 CB SER A 69 -5.327 -1.009 1.163 1.00 0.00 C ATOM 979 OG SER A 69 -4.507 -1.693 2.107 1.00 0.00 O ATOM 0 H SER A 69 -2.693 -1.299 -0.317 1.00 0.00 H new ATOM 0 HA SER A 69 -5.188 0.140 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.940 -0.272 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.010 -1.718 0.695 1.00 0.00 H new ATOM 0 HG SER A 69 -5.073 -2.123 2.781 1.00 0.00 H new ATOM 985 N ILE A 70 -4.296 1.727 1.353 1.00 0.00 N ATOM 986 CA ILE A 70 -3.601 2.830 1.993 1.00 0.00 C ATOM 987 C ILE A 70 -4.350 3.231 3.265 1.00 0.00 C ATOM 988 O ILE A 70 -5.542 3.533 3.219 1.00 0.00 O ATOM 989 CB ILE A 70 -3.403 3.983 1.007 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.303 3.657 -0.005 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.131 5.296 1.745 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.117 4.802 -1.002 1.00 0.00 C ATOM 0 H ILE A 70 -5.311 1.750 1.449 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.600 2.524 2.296 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.328 4.114 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.366 3.471 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.556 2.742 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.994 6.099 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.976 5.531 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.229 5.194 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.329 4.544 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.049 4.970 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.840 5.710 -0.466 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.621 3.221 4.372 1.00 0.00 N ATOM 1005 CA ASN A 71 -4.203 3.579 5.654 1.00 0.00 C ATOM 1006 C ASN A 71 -5.169 2.478 6.097 1.00 0.00 C ATOM 1007 O ASN A 71 -5.875 2.631 7.093 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.990 4.887 5.556 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.188 5.955 4.808 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.525 6.366 3.710 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.110 6.379 5.462 1.00 0.00 N ATOM 0 H ASN A 71 -2.633 2.971 4.407 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.390 3.700 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.934 4.710 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.234 5.245 6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.508 7.090 5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.885 5.993 6.379 1.00 0.00 H new ATOM 1018 N GLY A 72 -5.169 1.394 5.336 1.00 0.00 N ATOM 1019 CA GLY A 72 -6.036 0.268 5.637 1.00 0.00 C ATOM 1020 C GLY A 72 -7.330 0.339 4.823 1.00 0.00 C ATOM 1021 O GLY A 72 -8.270 -0.411 5.078 1.00 0.00 O ATOM 0 H GLY A 72 -4.582 1.271 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.516 -0.665 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.272 0.260 6.701 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.335 1.247 3.858 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.497 1.426 3.004 1.00 0.00 C ATOM 1027 C LYS A 73 -8.321 0.597 1.730 1.00 0.00 C ATOM 1028 O LYS A 73 -7.532 0.955 0.857 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.745 2.912 2.741 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.796 3.472 3.703 1.00 0.00 C ATOM 1031 CD LYS A 73 -10.202 4.892 3.305 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.664 4.939 2.857 1.00 0.00 C ATOM 1033 NZ LYS A 73 -12.485 5.676 3.844 1.00 0.00 N ATOM 0 H LYS A 73 -6.552 1.867 3.649 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.395 1.060 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.813 3.465 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.077 3.052 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.674 2.826 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.400 3.474 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.055 5.566 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.559 5.245 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.737 5.421 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.048 3.925 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.475 5.699 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.430 5.199 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.128 6.649 3.935 1.00 0.00 H new ATOM 1047 N SER A 74 -9.068 -0.495 1.665 1.00 0.00 N ATOM 1048 CA SER A 74 -9.004 -1.378 0.513 1.00 0.00 C ATOM 1049 C SER A 74 -9.734 -0.744 -0.673 1.00 0.00 C ATOM 1050 O SER A 74 -10.896 -0.357 -0.557 1.00 0.00 O ATOM 1051 CB SER A 74 -9.605 -2.748 0.835 1.00 0.00 C ATOM 1052 OG SER A 74 -10.207 -2.777 2.126 1.00 0.00 O ATOM 0 H SER A 74 -9.721 -0.789 2.392 1.00 0.00 H new ATOM 0 HA SER A 74 -7.956 -1.523 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.350 -3.003 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.825 -3.508 0.782 1.00 0.00 H new ATOM 0 HG SER A 74 -10.580 -3.668 2.293 1.00 0.00 H new ATOM 1058 N LEU A 75 -9.022 -0.657 -1.787 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.587 -0.076 -2.993 1.00 0.00 C ATOM 1060 C LEU A 75 -10.682 -0.998 -3.532 1.00 0.00 C ATOM 1061 O LEU A 75 -10.390 -2.013 -4.163 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.484 0.229 -4.009 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.192 0.818 -3.439 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -6.168 1.068 -4.548 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.478 2.083 -2.627 1.00 0.00 C ATOM 0 H LEU A 75 -8.059 -0.979 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.057 0.882 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.238 -0.693 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.881 0.924 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.756 0.089 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.259 1.487 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.933 0.127 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.581 1.769 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.543 2.482 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.949 2.828 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.146 1.841 -1.800 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.921 -0.612 -3.265 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.062 -1.391 -3.716 1.00 0.00 C ATOM 1079 C LYS A 76 -13.451 -0.948 -5.128 1.00 0.00 C ATOM 1080 O LYS A 76 -14.531 -1.283 -5.612 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.207 -1.299 -2.705 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.564 0.159 -2.413 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.942 0.623 -1.094 1.00 0.00 C ATOM 1084 CE LYS A 76 -15.017 0.844 -0.028 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.497 0.494 1.312 1.00 0.00 N ATOM 0 H LYS A 76 -12.160 0.230 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.803 -2.448 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.082 -1.821 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.921 -1.800 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.213 0.793 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.647 0.270 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.226 -0.120 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.388 1.548 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.340 1.885 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.893 0.236 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.239 0.650 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.211 -0.506 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.675 1.092 1.532 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.549 -0.201 -5.748 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.785 0.291 -7.095 1.00 0.00 C ATOM 1101 C GLY A 77 -12.796 1.821 -7.125 1.00 0.00 C ATOM 1102 O GLY A 77 -13.434 2.424 -7.987 1.00 0.00 O ATOM 0 H GLY A 77 -11.655 0.075 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.010 -0.084 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.737 -0.091 -7.464 1.00 0.00 H new ATOM 1106 N THR A 78 -12.083 2.405 -6.173 1.00 0.00 N ATOM 1107 CA THR A 78 -12.003 3.853 -6.080 1.00 0.00 C ATOM 1108 C THR A 78 -11.457 4.442 -7.382 1.00 0.00 C ATOM 1109 O THR A 78 -10.583 3.853 -8.016 1.00 0.00 O ATOM 1110 CB THR A 78 -11.157 4.201 -4.854 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.220 3.031 -4.044 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.798 5.288 -3.989 1.00 0.00 C ATOM 0 H THR A 78 -11.556 1.902 -5.459 1.00 0.00 H new ATOM 0 HA THR A 78 -12.990 4.296 -5.949 1.00 0.00 H new ATOM 0 HB THR A 78 -10.169 4.530 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.696 3.170 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.157 5.497 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.923 6.196 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.772 4.947 -3.638 1.00 0.00 H new ATOM 1120 N THR A 79 -11.996 5.597 -7.743 1.00 0.00 N ATOM 1121 CA THR A 79 -11.574 6.273 -8.959 1.00 0.00 C ATOM 1122 C THR A 79 -10.221 6.955 -8.748 1.00 0.00 C ATOM 1123 O THR A 79 -9.816 7.201 -7.612 1.00 0.00 O ATOM 1124 CB THR A 79 -12.684 7.241 -9.372 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.090 7.846 -8.147 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.940 6.517 -9.863 1.00 0.00 C ATOM 0 H THR A 79 -12.721 6.082 -7.215 1.00 0.00 H new ATOM 0 HA THR A 79 -11.422 5.564 -9.773 1.00 0.00 H new ATOM 0 HB THR A 79 -12.316 7.902 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.978 8.246 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.696 7.250 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.691 5.903 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.328 5.882 -9.067 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.558 7.241 -9.859 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.259 7.889 -9.810 1.00 0.00 C ATOM 1136 C HIS A 80 -8.305 9.056 -8.821 1.00 0.00 C ATOM 1137 O HIS A 80 -7.394 9.224 -8.011 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.812 8.316 -11.209 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.360 8.722 -11.293 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.326 7.893 -10.896 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.781 9.876 -11.733 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.180 8.530 -11.091 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.465 9.759 -11.609 1.00 0.00 N ATOM 0 H HIS A 80 -9.897 7.036 -10.799 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.510 7.183 -9.452 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.989 7.494 -11.903 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.431 9.150 -11.538 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.428 6.951 -10.517 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.305 10.739 -12.117 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.194 8.144 -10.877 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.375 9.831 -8.918 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.551 10.977 -8.042 1.00 0.00 C ATOM 1153 C HIS A 81 -9.780 10.495 -6.608 1.00 0.00 C ATOM 1154 O HIS A 81 -9.008 10.824 -5.709 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.675 11.881 -8.551 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.591 13.305 -8.053 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -11.115 14.377 -8.754 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.039 13.820 -6.917 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.883 15.482 -8.063 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.216 15.136 -6.924 1.00 0.00 N ATOM 0 H HIS A 81 -10.129 9.688 -9.590 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.646 11.585 -8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.658 11.886 -9.641 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.633 11.457 -8.249 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.542 13.254 -6.143 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.171 16.482 -8.350 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.905 15.781 -6.198 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.845 9.725 -6.439 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.185 9.195 -5.130 1.00 0.00 C ATOM 1170 C ASP A 82 -9.929 8.612 -4.478 1.00 0.00 C ATOM 1171 O ASP A 82 -9.827 8.565 -3.253 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.223 8.076 -5.241 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.609 8.524 -5.707 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.709 9.686 -6.159 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.539 7.696 -5.601 1.00 0.00 O ATOM 0 H ASP A 82 -11.484 9.456 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.595 10.009 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.849 7.322 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.321 7.594 -4.268 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.006 8.184 -5.326 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.761 7.606 -4.848 1.00 0.00 C ATOM 1182 C ALA A 83 -6.775 8.729 -4.523 1.00 0.00 C ATOM 1183 O ALA A 83 -6.254 8.801 -3.410 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.214 6.634 -5.895 1.00 0.00 C ATOM 0 H ALA A 83 -9.095 8.226 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.928 7.038 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.280 6.201 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.940 5.840 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.031 7.168 -6.827 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.547 9.579 -5.514 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.632 10.695 -5.347 1.00 0.00 C ATOM 1192 C LEU A 84 -5.973 11.440 -4.055 1.00 0.00 C ATOM 1193 O LEU A 84 -5.085 11.767 -3.269 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.640 11.585 -6.591 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.172 10.927 -7.890 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -6.028 11.380 -9.074 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.682 11.183 -8.129 1.00 0.00 C ATOM 0 H LEU A 84 -6.980 9.517 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.608 10.336 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.653 11.957 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.007 12.451 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.302 9.849 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.674 10.897 -9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.068 11.104 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.953 12.462 -9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.375 10.704 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.504 12.256 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.105 10.771 -7.301 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.262 11.688 -3.876 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.732 12.388 -2.692 1.00 0.00 C ATOM 1211 C ALA A 85 -7.363 11.581 -1.446 1.00 0.00 C ATOM 1212 O ALA A 85 -6.682 12.085 -0.555 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.239 12.629 -2.806 1.00 0.00 C ATOM 0 H ALA A 85 -7.996 11.417 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.251 13.363 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.592 13.154 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.445 13.232 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.755 11.673 -2.891 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.829 10.341 -1.424 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.556 9.459 -0.302 1.00 0.00 C ATOM 1221 C ILE A 86 -6.061 9.501 0.022 1.00 0.00 C ATOM 1222 O ILE A 86 -5.671 9.391 1.183 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.084 8.051 -0.587 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.444 7.831 0.080 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.064 6.989 -0.173 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.505 7.445 -0.952 1.00 0.00 C ATOM 0 H ILE A 86 -8.394 9.926 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.085 9.799 0.588 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.233 7.952 -1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.361 7.047 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.750 8.740 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.464 5.998 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.140 7.135 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.861 7.076 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.462 7.295 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.602 8.242 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.208 6.523 -1.452 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.265 9.659 -1.025 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.822 9.717 -0.866 1.00 0.00 C ATOM 1240 C LEU A 87 -3.435 11.059 -0.242 1.00 0.00 C ATOM 1241 O LEU A 87 -2.485 11.135 0.535 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.125 9.434 -2.199 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.685 9.938 -2.322 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.652 11.450 -2.555 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.854 9.527 -1.105 1.00 0.00 C ATOM 0 H LEU A 87 -5.592 9.749 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.482 8.938 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.128 8.357 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.716 9.882 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.232 9.468 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.617 11.783 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.185 11.688 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.130 11.958 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.165 9.898 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.296 9.950 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.838 8.440 -1.026 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.192 12.084 -0.605 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.940 13.419 -0.090 1.00 0.00 C ATOM 1259 C ARG A 88 -4.314 13.496 1.391 1.00 0.00 C ATOM 1260 O ARG A 88 -3.880 14.404 2.099 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.738 14.469 -0.866 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.095 14.753 -2.225 1.00 0.00 C ATOM 1263 CD ARG A 88 -4.866 15.838 -2.980 1.00 0.00 C ATOM 1264 NE ARG A 88 -3.922 16.714 -3.710 1.00 0.00 N ATOM 1265 CZ ARG A 88 -4.299 17.702 -4.533 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -5.600 17.946 -4.737 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -3.373 18.446 -5.154 1.00 0.00 N ATOM 0 H ARG A 88 -4.980 12.017 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.877 13.625 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.761 14.121 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.793 15.390 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.061 15.068 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.071 13.839 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.565 15.379 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.457 16.429 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.923 16.556 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.305 17.379 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.886 18.698 -5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.382 18.260 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.659 19.198 -5.781 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.116 12.531 1.817 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.554 12.478 3.201 1.00 0.00 C ATOM 1283 C GLN A 89 -4.534 11.718 4.052 1.00 0.00 C ATOM 1284 O GLN A 89 -4.377 11.999 5.239 1.00 0.00 O ATOM 1285 CB GLN A 89 -6.942 11.845 3.314 1.00 0.00 C ATOM 1286 CG GLN A 89 -7.995 12.704 2.611 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.304 12.725 3.403 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.321 12.723 4.623 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.395 12.745 2.644 1.00 0.00 N ATOM 0 H GLN A 89 -5.474 11.779 1.227 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.625 13.498 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.928 10.848 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.207 11.726 4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.621 13.721 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.178 12.314 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.309 12.745 1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.318 12.760 3.078 1.00 0.00 H new ATOM 1298 N ALA A 90 -3.867 10.769 3.411 1.00 0.00 N ATOM 1299 CA ALA A 90 -2.867 9.966 4.094 1.00 0.00 C ATOM 1300 C ALA A 90 -1.656 10.841 4.425 1.00 0.00 C ATOM 1301 O ALA A 90 -0.746 10.407 5.129 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.496 8.763 3.224 1.00 0.00 C ATOM 0 H ALA A 90 -4.000 10.538 2.426 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.262 9.579 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.746 8.161 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.384 8.158 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.093 9.112 2.273 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.684 12.058 3.901 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.600 12.997 4.133 1.00 0.00 C ATOM 1310 C ARG A 91 -0.967 13.963 5.262 1.00 0.00 C ATOM 1311 O ARG A 91 -0.147 14.783 5.672 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.286 13.798 2.868 1.00 0.00 C ATOM 1313 CG ARG A 91 0.133 12.874 1.723 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.254 13.469 0.368 1.00 0.00 C ATOM 1315 NE ARG A 91 0.938 13.554 -0.506 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.795 14.584 -0.509 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.597 15.622 0.315 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.849 14.576 -1.336 1.00 0.00 N ATOM 0 H ARG A 91 -2.440 12.415 3.317 1.00 0.00 H new ATOM 0 HA ARG A 91 0.282 12.422 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.162 14.375 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.511 14.512 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.210 12.711 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.341 11.900 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.018 12.852 -0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.685 14.460 0.507 1.00 0.00 H new ATOM 0 HE ARG A 91 1.118 12.780 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.794 15.628 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.249 16.406 0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.999 13.786 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.501 15.360 -1.338 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.199 13.834 5.731 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.684 14.685 6.805 1.00 0.00 C ATOM 1334 C GLU A 92 -2.014 14.305 8.127 1.00 0.00 C ATOM 1335 O GLU A 92 -1.581 15.176 8.880 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.207 14.607 6.920 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.869 14.759 5.549 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.394 16.182 5.348 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.089 16.666 6.267 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -5.089 16.754 4.279 1.00 0.00 O ATOM 0 H GLU A 92 -2.876 13.153 5.387 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.422 15.717 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.493 13.653 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.565 15.389 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.150 14.519 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.690 14.048 5.457 1.00 0.00 H new ATOM 1347 N PRO A 93 -1.949 12.969 8.375 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.339 12.464 9.593 1.00 0.00 C ATOM 1349 C PRO A 93 0.186 12.561 9.524 1.00 0.00 C ATOM 1350 O PRO A 93 0.732 13.159 8.599 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.839 11.034 9.719 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.331 10.641 8.335 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.452 11.909 7.506 1.00 0.00 C ATOM 0 HA PRO A 93 -1.612 13.046 10.473 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.042 10.370 10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.642 10.964 10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.636 9.944 7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.294 10.135 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.868 11.839 6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.486 12.094 7.213 1.00 0.00 H new ATOM 1361 N ARG A 94 0.831 11.963 10.516 1.00 0.00 N ATOM 1362 CA ARG A 94 2.282 11.974 10.579 1.00 0.00 C ATOM 1363 C ARG A 94 2.847 10.654 10.049 1.00 0.00 C ATOM 1364 O ARG A 94 4.000 10.594 9.627 1.00 0.00 O ATOM 1365 CB ARG A 94 2.769 12.190 12.013 1.00 0.00 C ATOM 1366 CG ARG A 94 3.244 13.630 12.219 1.00 0.00 C ATOM 1367 CD ARG A 94 2.482 14.300 13.364 1.00 0.00 C ATOM 1368 NE ARG A 94 3.382 15.210 14.108 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.030 15.871 15.219 1.00 0.00 C ATOM 1370 NH1 ARG A 94 1.797 15.729 15.721 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.913 16.676 15.827 1.00 0.00 N ATOM 0 H ARG A 94 0.375 11.468 11.282 1.00 0.00 H new ATOM 0 HA ARG A 94 2.634 12.799 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.964 11.965 12.712 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.583 11.500 12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.312 13.637 12.435 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.101 14.199 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.633 14.858 12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.080 13.542 14.037 1.00 0.00 H new ATOM 0 HE ARG A 94 4.329 15.342 13.753 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.125 15.117 15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.530 16.232 16.567 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.852 16.785 15.444 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.646 17.180 16.673 1.00 0.00 H new ATOM 1385 N GLN A 95 2.008 9.630 10.090 1.00 0.00 N ATOM 1386 CA GLN A 95 2.409 8.315 9.619 1.00 0.00 C ATOM 1387 C GLN A 95 1.432 7.811 8.554 1.00 0.00 C ATOM 1388 O GLN A 95 0.242 8.117 8.605 1.00 0.00 O ATOM 1389 CB GLN A 95 2.511 7.325 10.781 1.00 0.00 C ATOM 1390 CG GLN A 95 3.207 6.034 10.342 1.00 0.00 C ATOM 1391 CD GLN A 95 2.957 4.908 11.347 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.812 4.546 12.138 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.741 4.375 11.270 1.00 0.00 N ATOM 0 H GLN A 95 1.052 9.684 10.442 1.00 0.00 H new ATOM 0 HA GLN A 95 3.397 8.398 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.064 7.779 11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.514 7.095 11.156 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.843 5.736 9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.279 6.209 10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.073 4.726 10.584 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.477 3.615 11.897 1.00 0.00 H new ATOM 1402 N ALA A 96 1.972 7.048 7.615 1.00 0.00 N ATOM 1403 CA ALA A 96 1.163 6.500 6.540 1.00 0.00 C ATOM 1404 C ALA A 96 1.364 4.984 6.479 1.00 0.00 C ATOM 1405 O ALA A 96 2.472 4.493 6.684 1.00 0.00 O ATOM 1406 CB ALA A 96 1.528 7.190 5.224 1.00 0.00 C ATOM 0 H ALA A 96 2.960 6.796 7.576 1.00 0.00 H new ATOM 0 HA ALA A 96 0.105 6.685 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.921 6.779 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.340 8.260 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.583 7.023 5.006 1.00 0.00 H new ATOM 1412 N VAL A 97 0.274 4.286 6.196 1.00 0.00 N ATOM 1413 CA VAL A 97 0.316 2.837 6.106 1.00 0.00 C ATOM 1414 C VAL A 97 -0.076 2.407 4.691 1.00 0.00 C ATOM 1415 O VAL A 97 -1.208 2.626 4.263 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.574 2.219 7.186 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.167 0.890 6.714 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.198 2.040 8.496 1.00 0.00 C ATOM 0 H VAL A 97 -0.644 4.697 6.026 1.00 0.00 H new ATOM 0 HA VAL A 97 1.327 2.472 6.289 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.399 2.906 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.795 0.472 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.768 1.057 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.361 0.193 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.457 1.599 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.052 1.383 8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.550 3.010 8.846 1.00 0.00 H new ATOM 1428 N ILE A 98 0.882 1.802 4.004 1.00 0.00 N ATOM 1429 CA ILE A 98 0.651 1.339 2.646 1.00 0.00 C ATOM 1430 C ILE A 98 1.094 -0.120 2.527 1.00 0.00 C ATOM 1431 O ILE A 98 2.256 -0.442 2.771 1.00 0.00 O ATOM 1432 CB ILE A 98 1.329 2.271 1.640 1.00 0.00 C ATOM 1433 CG1 ILE A 98 0.912 3.725 1.872 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.056 1.820 0.204 1.00 0.00 C ATOM 1435 CD1 ILE A 98 1.972 4.478 2.679 1.00 0.00 C ATOM 0 H ILE A 98 1.820 1.622 4.362 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.412 1.370 2.409 1.00 0.00 H new ATOM 0 HB ILE A 98 2.406 2.215 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.760 4.221 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.041 3.754 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.549 2.500 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.442 0.811 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.018 1.828 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.651 5.509 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.104 3.994 3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.917 4.468 2.136 1.00 0.00 H new ATOM 1447 N VAL A 99 0.144 -0.965 2.151 1.00 0.00 N ATOM 1448 CA VAL A 99 0.422 -2.383 1.997 1.00 0.00 C ATOM 1449 C VAL A 99 0.823 -2.665 0.547 1.00 0.00 C ATOM 1450 O VAL A 99 0.087 -2.329 -0.380 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.784 -3.205 2.454 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.382 -4.652 2.748 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.455 -2.565 3.671 1.00 0.00 C ATOM 0 H VAL A 99 -0.818 -0.695 1.949 1.00 0.00 H new ATOM 0 HA VAL A 99 1.259 -2.679 2.629 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.508 -3.217 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.258 -5.215 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.029 -5.106 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.370 -4.668 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.309 -3.170 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.740 -2.507 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.794 -1.561 3.414 1.00 0.00 H new ATOM 1463 N THR A 100 1.987 -3.278 0.398 1.00 0.00 N ATOM 1464 CA THR A 100 2.495 -3.609 -0.923 1.00 0.00 C ATOM 1465 C THR A 100 3.250 -4.938 -0.887 1.00 0.00 C ATOM 1466 O THR A 100 3.931 -5.243 0.092 1.00 0.00 O ATOM 1467 CB THR A 100 3.350 -2.437 -1.408 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.117 -2.070 -0.265 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.517 -1.190 -1.714 1.00 0.00 C ATOM 0 H THR A 100 2.594 -3.555 1.170 1.00 0.00 H new ATOM 0 HA THR A 100 1.682 -3.753 -1.634 1.00 0.00 H new ATOM 0 HB THR A 100 3.899 -2.735 -2.302 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.702 -1.317 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.173 -0.389 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.791 -1.420 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.993 -0.872 -0.812 1.00 0.00 H new ATOM 1477 N ARG A 101 3.106 -5.694 -1.965 1.00 0.00 N ATOM 1478 CA ARG A 101 3.767 -6.984 -2.069 1.00 0.00 C ATOM 1479 C ARG A 101 4.855 -6.939 -3.143 1.00 0.00 C ATOM 1480 O ARG A 101 4.751 -6.179 -4.105 1.00 0.00 O ATOM 1481 CB ARG A 101 2.766 -8.089 -2.413 1.00 0.00 C ATOM 1482 CG ARG A 101 2.177 -7.881 -3.809 1.00 0.00 C ATOM 1483 CD ARG A 101 0.655 -7.744 -3.748 1.00 0.00 C ATOM 1484 NE ARG A 101 0.035 -8.470 -4.879 1.00 0.00 N ATOM 1485 CZ ARG A 101 0.165 -9.787 -5.088 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.893 -10.530 -4.244 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -0.433 -10.360 -6.141 1.00 0.00 N ATOM 0 H ARG A 101 2.541 -5.438 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 101 4.217 -7.205 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.259 -9.060 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.964 -8.101 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.608 -6.987 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.444 -8.722 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.284 -8.141 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.375 -6.691 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.526 -7.934 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.348 -10.093 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.992 -11.533 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.987 -9.794 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.334 -11.363 -6.300 1.00 0.00 H new