USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 46 THR OG1 : rot -89:sc= 2.13 USER MOD Set 1.2: A 48 THR OG1 : rot -87:sc= 1.26 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= -0.991 (180deg=-2.97!) USER MOD Single : A 27 HIS : no HE2:sc= -9.57! C(o=-9.6!,f=-13!) USER MOD Single : A 28 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-7.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= -1.66! (180deg=-2.66!) USER MOD Single : A 40 GLN :FLIP amide:sc= 0.601 F(o=-1.7,f=0.6) USER MOD Single : A 45 LYS NZ :NH3+ -124:sc= -0.0489 (180deg=-0.307) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.62) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.736 K(o=0.74,f=-3.5!) USER MOD Single : A 61 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.0102 (180deg=-0.908) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0882 USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= -0.0749 (180deg=-0.518) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.23) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0392 USER MOD Single : A 85 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.342 -7.443 -3.418 1.00 0.00 N ATOM 215 CA ALA A 17 11.144 -7.626 -4.227 1.00 0.00 C ATOM 216 C ALA A 17 10.334 -6.338 -4.309 1.00 0.00 C ATOM 217 O ALA A 17 10.501 -5.435 -3.489 1.00 0.00 O ATOM 218 CB ALA A 17 10.292 -8.753 -3.662 1.00 0.00 C ATOM 0 HA ALA A 17 11.456 -7.892 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.400 -8.878 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.867 -9.679 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.998 -8.510 -2.641 1.00 0.00 H new ATOM 224 N SER A 18 9.456 -6.258 -5.304 1.00 0.00 N ATOM 225 CA SER A 18 8.622 -5.077 -5.495 1.00 0.00 C ATOM 226 C SER A 18 7.253 -5.461 -6.047 1.00 0.00 C ATOM 227 O SER A 18 7.151 -6.232 -7.001 1.00 0.00 O ATOM 228 CB SER A 18 9.308 -4.090 -6.442 1.00 0.00 C ATOM 229 OG SER A 18 9.949 -4.769 -7.508 1.00 0.00 O ATOM 0 H SER A 18 9.304 -6.997 -5.990 1.00 0.00 H new ATOM 0 HA SER A 18 8.482 -4.601 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.572 -3.392 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.040 -3.500 -5.890 1.00 0.00 H new ATOM 0 HG SER A 18 10.378 -4.117 -8.100 1.00 0.00 H new ATOM 235 N ALA A 19 6.203 -4.919 -5.440 1.00 0.00 N ATOM 236 CA ALA A 19 4.840 -5.203 -5.872 1.00 0.00 C ATOM 237 C ALA A 19 4.044 -3.916 -6.061 1.00 0.00 C ATOM 238 O ALA A 19 4.513 -2.828 -5.723 1.00 0.00 O ATOM 239 CB ALA A 19 4.146 -6.111 -4.867 1.00 0.00 C ATOM 0 H ALA A 19 6.270 -4.281 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 19 4.890 -5.714 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.129 -6.315 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.695 -7.049 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.116 -5.621 -3.894 1.00 0.00 H new ATOM 245 N THR A 20 2.838 -4.046 -6.603 1.00 0.00 N ATOM 246 CA THR A 20 1.977 -2.893 -6.839 1.00 0.00 C ATOM 247 C THR A 20 0.528 -3.208 -6.490 1.00 0.00 C ATOM 248 O THR A 20 0.112 -4.366 -6.504 1.00 0.00 O ATOM 249 CB THR A 20 2.051 -2.427 -8.306 1.00 0.00 C ATOM 250 OG1 THR A 20 2.200 -3.558 -9.171 1.00 0.00 O ATOM 251 CG2 THR A 20 3.214 -1.469 -8.512 1.00 0.00 C ATOM 0 H THR A 20 2.434 -4.939 -6.887 1.00 0.00 H new ATOM 0 HA THR A 20 2.337 -2.092 -6.193 1.00 0.00 H new ATOM 0 HB THR A 20 1.125 -1.905 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.245 -3.254 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.246 -1.154 -9.555 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.084 -0.596 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.148 -1.970 -8.256 1.00 0.00 H new ATOM 259 N VAL A 21 -0.239 -2.169 -6.176 1.00 0.00 N ATOM 260 CA VAL A 21 -1.645 -2.334 -5.825 1.00 0.00 C ATOM 261 C VAL A 21 -2.530 -1.404 -6.646 1.00 0.00 C ATOM 262 O VAL A 21 -2.509 -0.188 -6.463 1.00 0.00 O ATOM 263 CB VAL A 21 -1.884 -2.064 -4.327 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.304 -0.715 -3.929 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.370 -2.130 -4.006 1.00 0.00 C ATOM 0 H VAL A 21 0.090 -1.204 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.908 -3.368 -6.047 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.375 -2.836 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.482 -0.541 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.231 -0.709 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.782 0.073 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.522 -1.937 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.902 -1.380 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.752 -3.121 -4.253 1.00 0.00 H new ATOM 275 N ALA A 22 -3.310 -1.986 -7.553 1.00 0.00 N ATOM 276 CA ALA A 22 -4.205 -1.210 -8.401 1.00 0.00 C ATOM 277 C ALA A 22 -5.327 -0.580 -7.583 1.00 0.00 C ATOM 278 O ALA A 22 -6.192 -1.280 -7.056 1.00 0.00 O ATOM 279 CB ALA A 22 -4.781 -2.088 -9.502 1.00 0.00 C ATOM 0 H ALA A 22 -3.339 -2.992 -7.718 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.628 -0.406 -8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.448 -1.496 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.970 -2.487 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.338 -2.912 -9.056 1.00 0.00 H new ATOM 285 N ILE A 23 -5.306 0.745 -7.480 1.00 0.00 N ATOM 286 CA ILE A 23 -6.322 1.469 -6.726 1.00 0.00 C ATOM 287 C ILE A 23 -6.723 2.756 -7.440 1.00 0.00 C ATOM 288 O ILE A 23 -5.972 3.310 -8.243 1.00 0.00 O ATOM 289 CB ILE A 23 -5.832 1.812 -5.308 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.369 2.261 -5.344 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.002 0.616 -4.385 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.804 2.587 -3.980 1.00 0.00 C ATOM 0 H ILE A 23 -4.596 1.339 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.189 0.812 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.435 2.633 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.767 1.475 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.282 3.139 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.651 0.875 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.055 0.339 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.422 -0.224 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.764 2.898 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.382 3.395 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.858 1.704 -3.343 1.00 0.00 H new ATOM 304 N PRO A 24 -7.934 3.245 -7.140 1.00 0.00 N ATOM 305 CA PRO A 24 -8.462 4.475 -7.739 1.00 0.00 C ATOM 306 C PRO A 24 -7.730 5.720 -7.249 1.00 0.00 C ATOM 307 O PRO A 24 -7.235 5.758 -6.123 1.00 0.00 O ATOM 308 CB PRO A 24 -9.921 4.497 -7.277 1.00 0.00 C ATOM 309 CG PRO A 24 -9.932 3.701 -6.018 1.00 0.00 C ATOM 310 CD PRO A 24 -8.883 2.638 -6.192 1.00 0.00 C ATOM 0 HA PRO A 24 -8.343 4.483 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.266 5.516 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.580 4.060 -8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.711 4.331 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.913 3.257 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.402 2.390 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.308 1.715 -6.585 1.00 0.00 H new ATOM 318 N LYS A 25 -7.664 6.736 -8.103 1.00 0.00 N ATOM 319 CA LYS A 25 -6.993 7.984 -7.757 1.00 0.00 C ATOM 320 C LYS A 25 -7.717 8.692 -6.616 1.00 0.00 C ATOM 321 O LYS A 25 -7.244 9.707 -6.106 1.00 0.00 O ATOM 322 CB LYS A 25 -6.921 8.902 -8.979 1.00 0.00 C ATOM 323 CG LYS A 25 -6.103 8.330 -10.123 1.00 0.00 C ATOM 324 CD LYS A 25 -4.624 8.275 -9.780 1.00 0.00 C ATOM 325 CE LYS A 25 -4.045 9.668 -9.583 1.00 0.00 C ATOM 326 NZ LYS A 25 -4.183 10.132 -8.174 1.00 0.00 N ATOM 0 H LYS A 25 -8.067 6.720 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.981 7.746 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.933 9.103 -9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.492 9.858 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.460 7.328 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.248 8.939 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.482 7.689 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.083 7.765 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.992 9.666 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.551 10.369 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.807 10.963 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.592 9.370 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.247 10.387 -7.799 1.00 0.00 H new ATOM 340 N GLU A 26 -8.865 8.150 -6.222 1.00 0.00 N ATOM 341 CA GLU A 26 -9.652 8.731 -5.142 1.00 0.00 C ATOM 342 C GLU A 26 -9.286 8.100 -3.802 1.00 0.00 C ATOM 343 O GLU A 26 -9.596 8.644 -2.742 1.00 0.00 O ATOM 344 CB GLU A 26 -11.147 8.547 -5.413 1.00 0.00 C ATOM 345 CG GLU A 26 -11.513 7.146 -5.874 1.00 0.00 C ATOM 346 CD GLU A 26 -12.922 6.752 -5.476 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.143 6.467 -4.280 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.803 6.727 -6.361 1.00 0.00 O ATOM 0 H GLU A 26 -9.270 7.310 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.427 9.797 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.704 8.779 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.461 9.264 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.415 7.087 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.807 6.432 -5.451 1.00 0.00 H new ATOM 355 N HIS A 27 -8.623 6.949 -3.857 1.00 0.00 N ATOM 356 CA HIS A 27 -8.214 6.243 -2.649 1.00 0.00 C ATOM 357 C HIS A 27 -6.741 6.497 -2.343 1.00 0.00 C ATOM 358 O HIS A 27 -6.266 6.212 -1.244 1.00 0.00 O ATOM 359 CB HIS A 27 -8.465 4.743 -2.799 1.00 0.00 C ATOM 360 CG HIS A 27 -9.917 4.375 -2.795 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.375 3.114 -3.114 1.00 0.00 N ATOM 362 CD2 HIS A 27 -11.015 5.110 -2.505 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.693 3.090 -3.022 1.00 0.00 C ATOM 364 NE2 HIS A 27 -12.106 4.289 -2.654 1.00 0.00 N ATOM 0 H HIS A 27 -8.358 6.486 -4.726 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.810 6.621 -1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.014 4.399 -3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.963 4.216 -1.988 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.788 2.323 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.031 6.149 -2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.325 2.235 -3.215 1.00 0.00 H new ATOM 372 N HIS A 28 -6.022 7.032 -3.326 1.00 0.00 N ATOM 373 CA HIS A 28 -4.602 7.323 -3.162 1.00 0.00 C ATOM 374 C HIS A 28 -4.374 8.281 -1.997 1.00 0.00 C ATOM 375 O HIS A 28 -3.566 8.013 -1.109 1.00 0.00 O ATOM 376 CB HIS A 28 -4.031 7.921 -4.448 1.00 0.00 C ATOM 377 CG HIS A 28 -3.576 6.892 -5.436 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.460 7.054 -6.232 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.089 5.681 -5.754 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.309 5.988 -6.997 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.285 5.139 -6.726 1.00 0.00 N ATOM 0 H HIS A 28 -6.399 7.272 -4.243 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.087 6.387 -2.945 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.789 8.550 -4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.191 8.568 -4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.968 5.225 -5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.522 5.836 -7.721 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.419 4.229 -7.167 1.00 0.00 H new ATOM 389 N ARG A 29 -5.094 9.400 -2.008 1.00 0.00 N ATOM 390 CA ARG A 29 -4.968 10.398 -0.953 1.00 0.00 C ATOM 391 C ARG A 29 -5.044 9.747 0.424 1.00 0.00 C ATOM 392 O ARG A 29 -4.226 10.028 1.301 1.00 0.00 O ATOM 393 CB ARG A 29 -6.065 11.456 -1.090 1.00 0.00 C ATOM 394 CG ARG A 29 -7.466 10.915 -0.849 1.00 0.00 C ATOM 395 CD ARG A 29 -8.526 11.960 -1.156 1.00 0.00 C ATOM 396 NE ARG A 29 -8.956 11.911 -2.551 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.674 12.865 -3.133 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.040 13.936 -2.444 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.026 12.748 -4.407 1.00 0.00 N ATOM 0 H ARG A 29 -5.769 9.637 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.994 10.877 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.870 12.263 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.018 11.888 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.630 10.035 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.560 10.594 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.387 11.805 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.133 12.952 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.690 11.100 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.770 14.029 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.591 14.667 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.745 11.925 -4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.577 13.481 -4.853 1.00 0.00 H new ATOM 413 N PHE A 30 -6.030 8.876 0.608 1.00 0.00 N ATOM 414 CA PHE A 30 -6.213 8.186 1.879 1.00 0.00 C ATOM 415 C PHE A 30 -4.928 7.482 2.307 1.00 0.00 C ATOM 416 O PHE A 30 -4.693 7.262 3.494 1.00 0.00 O ATOM 417 CB PHE A 30 -7.353 7.170 1.772 1.00 0.00 C ATOM 418 CG PHE A 30 -8.716 7.782 1.921 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.196 8.145 3.168 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.519 7.992 0.811 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.450 8.708 3.308 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.774 8.556 0.944 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.241 8.913 2.194 1.00 0.00 C ATOM 0 H PHE A 30 -6.715 8.631 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.467 8.930 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.292 6.668 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.221 6.405 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.582 7.986 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.160 7.712 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.811 8.987 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.389 8.717 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.222 9.351 2.300 1.00 0.00 H new ATOM 433 N VAL A 31 -4.100 7.131 1.328 1.00 0.00 N ATOM 434 CA VAL A 31 -2.838 6.453 1.601 1.00 0.00 C ATOM 435 C VAL A 31 -1.761 7.445 2.024 1.00 0.00 C ATOM 436 O VAL A 31 -0.942 7.152 2.896 1.00 0.00 O ATOM 437 CB VAL A 31 -2.344 5.670 0.370 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.067 4.911 0.698 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.425 4.722 -0.127 1.00 0.00 C ATOM 0 H VAL A 31 -4.280 7.305 0.339 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.024 5.754 2.416 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.122 6.380 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.733 4.364 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.293 5.615 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.259 4.209 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.059 4.177 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.681 4.015 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.311 5.293 -0.403 1.00 0.00 H new ATOM 449 N ILE A 32 -1.769 8.620 1.403 1.00 0.00 N ATOM 450 CA ILE A 32 -0.794 9.657 1.717 1.00 0.00 C ATOM 451 C ILE A 32 -1.022 10.220 3.115 1.00 0.00 C ATOM 452 O ILE A 32 -0.077 10.422 3.876 1.00 0.00 O ATOM 453 CB ILE A 32 -0.848 10.808 0.696 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.500 10.295 -0.703 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.100 11.925 1.107 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.733 11.314 -1.796 1.00 0.00 C ATOM 0 H ILE A 32 -2.440 8.877 0.679 1.00 0.00 H new ATOM 0 HA ILE A 32 0.190 9.190 1.673 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.862 11.207 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.546 9.990 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.095 9.406 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.051 12.732 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.189 12.305 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.118 11.539 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.465 10.881 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.784 11.602 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.118 12.194 -1.610 1.00 0.00 H new ATOM 468 N GLY A 33 -2.284 10.472 3.448 1.00 0.00 N ATOM 469 CA GLY A 33 -2.615 11.009 4.755 1.00 0.00 C ATOM 470 C GLY A 33 -3.339 12.339 4.669 1.00 0.00 C ATOM 471 O GLY A 33 -3.473 12.912 3.588 1.00 0.00 O ATOM 0 H GLY A 33 -3.084 10.314 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.238 10.293 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.701 11.133 5.336 1.00 0.00 H new ATOM 475 N LYS A 34 -3.809 12.828 5.811 1.00 0.00 N ATOM 476 CA LYS A 34 -4.524 14.099 5.863 1.00 0.00 C ATOM 477 C LYS A 34 -3.651 15.235 5.341 1.00 0.00 C ATOM 478 O LYS A 34 -3.972 15.863 4.332 1.00 0.00 O ATOM 479 CB LYS A 34 -4.969 14.399 7.296 1.00 0.00 C ATOM 480 CG LYS A 34 -6.300 13.768 7.664 1.00 0.00 C ATOM 481 CD LYS A 34 -6.373 13.443 9.146 1.00 0.00 C ATOM 482 CE LYS A 34 -6.762 14.664 9.966 1.00 0.00 C ATOM 483 NZ LYS A 34 -6.407 14.504 11.404 1.00 0.00 N ATOM 0 H LYS A 34 -3.708 12.364 6.714 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.405 14.019 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.205 14.043 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.040 15.479 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.111 14.447 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.444 12.857 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.099 12.647 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.407 13.068 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.262 15.545 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.834 14.837 9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.688 15.357 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.904 13.678 11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.380 14.365 11.495 1.00 0.00 H new ATOM 497 N ASN A 35 -2.547 15.495 6.034 1.00 0.00 N ATOM 498 CA ASN A 35 -1.628 16.556 5.640 1.00 0.00 C ATOM 499 C ASN A 35 -0.312 15.975 5.134 1.00 0.00 C ATOM 500 O ASN A 35 0.666 16.698 4.947 1.00 0.00 O ATOM 501 CB ASN A 35 -1.364 17.495 6.819 1.00 0.00 C ATOM 502 CG ASN A 35 -2.577 17.650 7.716 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.490 17.473 8.931 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.716 17.985 7.120 1.00 0.00 N ATOM 0 H ASN A 35 -2.267 14.985 6.872 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.090 17.121 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.528 17.112 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.067 18.473 6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.565 18.106 7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.742 18.122 6.110 1.00 0.00 H new ATOM 511 N GLY A 36 -0.296 14.664 4.913 1.00 0.00 N ATOM 512 CA GLY A 36 0.905 14.008 4.429 1.00 0.00 C ATOM 513 C GLY A 36 1.749 13.440 5.554 1.00 0.00 C ATOM 514 O GLY A 36 2.955 13.672 5.611 1.00 0.00 O ATOM 0 H GLY A 36 -1.093 14.045 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.627 13.205 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.499 14.721 3.857 1.00 0.00 H new ATOM 518 N GLU A 37 1.111 12.695 6.451 1.00 0.00 N ATOM 519 CA GLU A 37 1.810 12.095 7.581 1.00 0.00 C ATOM 520 C GLU A 37 1.630 10.580 7.590 1.00 0.00 C ATOM 521 O GLU A 37 2.462 9.847 8.125 1.00 0.00 O ATOM 522 CB GLU A 37 1.304 12.688 8.897 1.00 0.00 C ATOM 523 CG GLU A 37 0.970 14.168 8.809 1.00 0.00 C ATOM 524 CD GLU A 37 2.183 15.053 9.015 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.986 14.756 9.925 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.330 16.042 8.266 1.00 0.00 O ATOM 0 H GLU A 37 0.112 12.493 6.417 1.00 0.00 H new ATOM 0 HA GLU A 37 2.872 12.317 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.416 12.142 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.061 12.540 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.532 14.380 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.216 14.412 9.557 1.00 0.00 H new ATOM 533 N LYS A 38 0.537 10.116 6.995 1.00 0.00 N ATOM 534 CA LYS A 38 0.245 8.689 6.932 1.00 0.00 C ATOM 535 C LYS A 38 1.323 7.947 6.149 1.00 0.00 C ATOM 536 O LYS A 38 2.068 7.142 6.708 1.00 0.00 O ATOM 537 CB LYS A 38 -1.123 8.455 6.286 1.00 0.00 C ATOM 538 CG LYS A 38 -1.456 6.987 6.083 1.00 0.00 C ATOM 539 CD LYS A 38 -1.648 6.270 7.408 1.00 0.00 C ATOM 540 CE LYS A 38 -1.853 4.776 7.209 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.125 4.481 6.493 1.00 0.00 N ATOM 0 H LYS A 38 -0.163 10.709 6.549 1.00 0.00 H new ATOM 0 HA LYS A 38 0.230 8.302 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.893 8.911 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.152 8.962 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.363 6.898 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.656 6.506 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.778 6.438 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.508 6.690 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.015 4.367 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.858 4.278 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.525 3.589 6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.802 5.253 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.938 4.395 5.474 1.00 0.00 H new ATOM 555 N LEU A 39 1.402 8.224 4.853 1.00 0.00 N ATOM 556 CA LEU A 39 2.391 7.584 3.992 1.00 0.00 C ATOM 557 C LEU A 39 3.752 7.522 4.678 1.00 0.00 C ATOM 558 O LEU A 39 4.398 6.475 4.702 1.00 0.00 O ATOM 559 CB LEU A 39 2.509 8.340 2.666 1.00 0.00 C ATOM 560 CG LEU A 39 3.844 8.205 1.934 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.959 6.835 1.284 1.00 0.00 C ATOM 562 CD2 LEU A 39 3.995 9.305 0.894 1.00 0.00 C ATOM 0 H LEU A 39 0.793 8.888 4.374 1.00 0.00 H new ATOM 0 HA LEU A 39 2.058 6.565 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.717 7.995 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.327 9.398 2.856 1.00 0.00 H new ATOM 0 HG LEU A 39 4.649 8.308 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.916 6.757 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.896 6.062 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.148 6.703 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.951 9.193 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.185 9.233 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.957 10.277 1.385 1.00 0.00 H new ATOM 574 N GLN A 40 4.179 8.651 5.236 1.00 0.00 N ATOM 575 CA GLN A 40 5.462 8.724 5.925 1.00 0.00 C ATOM 576 C GLN A 40 5.582 7.620 6.971 1.00 0.00 C ATOM 577 O GLN A 40 6.518 6.821 6.940 1.00 0.00 O ATOM 578 CB GLN A 40 5.633 10.092 6.587 1.00 0.00 C ATOM 579 CG GLN A 40 5.253 11.256 5.685 1.00 0.00 C ATOM 580 CD GLN A 40 5.952 12.545 6.072 1.00 0.00 C ATOM 581 OE1 GLN A 40 7.269 12.485 6.219 1.00 0.00 O flip ATOM 582 NE2 GLN A 40 5.312 13.584 6.237 1.00 0.00 N flip ATOM 0 H GLN A 40 3.656 9.526 5.224 1.00 0.00 H new ATOM 0 HA GLN A 40 6.251 8.586 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.023 10.128 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.671 10.208 6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.502 11.008 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.174 11.406 5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.300 13.584 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.794 14.444 6.497 1.00 0.00 H new ATOM 591 N ASP A 41 4.630 7.584 7.897 1.00 0.00 N ATOM 592 CA ASP A 41 4.628 6.579 8.952 1.00 0.00 C ATOM 593 C ASP A 41 4.688 5.172 8.364 1.00 0.00 C ATOM 594 O ASP A 41 5.475 4.335 8.807 1.00 0.00 O ATOM 595 CB ASP A 41 3.382 6.727 9.826 1.00 0.00 C ATOM 596 CG ASP A 41 3.567 6.131 11.208 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.437 4.896 11.343 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.843 6.898 12.154 1.00 0.00 O ATOM 0 H ASP A 41 3.850 8.240 7.938 1.00 0.00 H new ATOM 0 HA ASP A 41 5.514 6.734 9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.132 7.784 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.538 6.242 9.335 1.00 0.00 H new ATOM 603 N LEU A 42 3.850 4.919 7.365 1.00 0.00 N ATOM 604 CA LEU A 42 3.806 3.614 6.716 1.00 0.00 C ATOM 605 C LEU A 42 5.178 3.230 6.171 1.00 0.00 C ATOM 606 O LEU A 42 5.688 2.146 6.453 1.00 0.00 O ATOM 607 CB LEU A 42 2.777 3.619 5.584 1.00 0.00 C ATOM 608 CG LEU A 42 1.351 3.224 5.970 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.390 3.510 4.826 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.294 1.754 6.364 1.00 0.00 C ATOM 0 H LEU A 42 3.192 5.600 6.987 1.00 0.00 H new ATOM 0 HA LEU A 42 3.512 2.875 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.750 4.618 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.122 2.940 4.804 1.00 0.00 H new ATOM 0 HG LEU A 42 1.048 3.822 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.620 3.223 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.411 4.574 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.690 2.938 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.272 1.490 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.617 1.139 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.952 1.580 7.215 1.00 0.00 H new ATOM 622 N GLU A 43 5.770 4.127 5.389 1.00 0.00 N ATOM 623 CA GLU A 43 7.083 3.883 4.805 1.00 0.00 C ATOM 624 C GLU A 43 8.076 3.428 5.871 1.00 0.00 C ATOM 625 O GLU A 43 8.895 2.538 5.635 1.00 0.00 O ATOM 626 CB GLU A 43 7.603 5.145 4.114 1.00 0.00 C ATOM 627 CG GLU A 43 7.150 5.279 2.670 1.00 0.00 C ATOM 628 CD GLU A 43 7.664 6.545 2.013 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.077 7.620 2.257 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.653 6.461 1.255 1.00 0.00 O ATOM 0 H GLU A 43 5.361 5.029 5.145 1.00 0.00 H new ATOM 0 HA GLU A 43 6.980 3.089 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.269 6.019 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.693 5.144 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.495 4.414 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.061 5.271 2.633 1.00 0.00 H new ATOM 637 N LEU A 44 7.998 4.044 7.045 1.00 0.00 N ATOM 638 CA LEU A 44 8.889 3.703 8.149 1.00 0.00 C ATOM 639 C LEU A 44 8.457 2.401 8.816 1.00 0.00 C ATOM 640 O LEU A 44 9.159 1.392 8.743 1.00 0.00 O ATOM 641 CB LEU A 44 8.912 4.834 9.179 1.00 0.00 C ATOM 642 CG LEU A 44 9.709 6.080 8.791 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.274 7.274 9.627 1.00 0.00 C ATOM 644 CD2 LEU A 44 11.201 5.830 8.951 1.00 0.00 C ATOM 0 H LEU A 44 7.327 4.782 7.257 1.00 0.00 H new ATOM 0 HA LEU A 44 9.892 3.567 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.884 5.134 9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.320 4.442 10.110 1.00 0.00 H new ATOM 0 HG LEU A 44 9.509 6.304 7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.852 8.151 9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.214 7.467 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.444 7.060 10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.752 6.727 8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.419 5.580 9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.502 5.003 8.308 1.00 0.00 H new ATOM 656 N LYS A 45 7.298 2.430 9.463 1.00 0.00 N ATOM 657 CA LYS A 45 6.769 1.251 10.140 1.00 0.00 C ATOM 658 C LYS A 45 6.957 0.002 9.285 1.00 0.00 C ATOM 659 O LYS A 45 7.290 -1.068 9.795 1.00 0.00 O ATOM 660 CB LYS A 45 5.285 1.445 10.461 1.00 0.00 C ATOM 661 CG LYS A 45 4.708 0.357 11.350 1.00 0.00 C ATOM 662 CD LYS A 45 3.201 0.489 11.486 1.00 0.00 C ATOM 663 CE LYS A 45 2.478 -0.109 10.290 1.00 0.00 C ATOM 664 NZ LYS A 45 2.605 -1.592 10.249 1.00 0.00 N ATOM 0 H LYS A 45 6.706 3.257 9.533 1.00 0.00 H new ATOM 0 HA LYS A 45 7.321 1.119 11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.151 2.410 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.721 1.478 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.952 -0.621 10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.169 0.409 12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.872 -0.010 12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.935 1.541 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.424 0.164 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.883 0.316 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.012 -1.880 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.226 -1.909 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.666 -2.024 10.361 1.00 0.00 H new ATOM 678 N THR A 46 6.743 0.146 7.981 1.00 0.00 N ATOM 679 CA THR A 46 6.890 -0.970 7.055 1.00 0.00 C ATOM 680 C THR A 46 8.285 -0.996 6.442 1.00 0.00 C ATOM 681 O THR A 46 8.706 -2.006 5.880 1.00 0.00 O ATOM 682 CB THR A 46 5.846 -0.903 5.925 1.00 0.00 C ATOM 683 OG1 THR A 46 6.160 0.170 5.030 1.00 0.00 O ATOM 684 CG2 THR A 46 4.447 -0.706 6.491 1.00 0.00 C ATOM 0 H THR A 46 6.467 1.025 7.542 1.00 0.00 H new ATOM 0 HA THR A 46 6.733 -1.882 7.631 1.00 0.00 H new ATOM 0 HB THR A 46 5.871 -1.847 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.725 0.992 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.727 -0.662 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.200 -1.540 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.411 0.225 7.057 1.00 0.00 H new ATOM 692 N ALA A 47 8.996 0.121 6.553 1.00 0.00 N ATOM 693 CA ALA A 47 10.345 0.224 6.011 1.00 0.00 C ATOM 694 C ALA A 47 10.370 -0.131 4.528 1.00 0.00 C ATOM 695 O ALA A 47 11.270 -0.830 4.061 1.00 0.00 O ATOM 696 CB ALA A 47 11.296 -0.675 6.787 1.00 0.00 C ATOM 0 H ALA A 47 8.660 0.967 7.013 1.00 0.00 H new ATOM 0 HA ALA A 47 10.674 1.258 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.300 -0.588 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.310 -0.373 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.961 -1.710 6.712 1.00 0.00 H new ATOM 702 N THR A 48 9.376 0.355 3.791 1.00 0.00 N ATOM 703 CA THR A 48 9.283 0.087 2.361 1.00 0.00 C ATOM 704 C THR A 48 9.366 1.378 1.555 1.00 0.00 C ATOM 705 O THR A 48 9.413 2.472 2.116 1.00 0.00 O ATOM 706 CB THR A 48 7.972 -0.640 2.010 1.00 0.00 C ATOM 707 OG1 THR A 48 6.849 0.164 2.387 1.00 0.00 O ATOM 708 CG2 THR A 48 7.896 -1.987 2.713 1.00 0.00 C ATOM 0 H THR A 48 8.624 0.936 4.161 1.00 0.00 H new ATOM 0 HA THR A 48 10.126 -0.555 2.104 1.00 0.00 H new ATOM 0 HB THR A 48 7.953 -0.808 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.620 -0.013 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.961 -2.482 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.736 -2.608 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.936 -1.837 3.792 1.00 0.00 H new ATOM 716 N LYS A 49 9.383 1.243 0.233 1.00 0.00 N ATOM 717 CA LYS A 49 9.458 2.398 -0.654 1.00 0.00 C ATOM 718 C LYS A 49 8.147 2.590 -1.410 1.00 0.00 C ATOM 719 O LYS A 49 7.981 2.085 -2.520 1.00 0.00 O ATOM 720 CB LYS A 49 10.612 2.231 -1.646 1.00 0.00 C ATOM 721 CG LYS A 49 11.928 2.802 -1.149 1.00 0.00 C ATOM 722 CD LYS A 49 12.095 4.257 -1.557 1.00 0.00 C ATOM 723 CE LYS A 49 12.508 4.382 -3.016 1.00 0.00 C ATOM 724 NZ LYS A 49 13.299 5.619 -3.263 1.00 0.00 N ATOM 0 H LYS A 49 9.346 0.344 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 49 9.637 3.283 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.744 1.171 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.346 2.717 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.974 2.720 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.755 2.214 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.159 4.791 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.845 4.730 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.097 3.511 -3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.619 4.387 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.562 5.668 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.728 6.452 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.160 5.602 -2.681 1.00 0.00 H new ATOM 738 N ILE A 50 7.222 3.325 -0.803 1.00 0.00 N ATOM 739 CA ILE A 50 5.928 3.585 -1.421 1.00 0.00 C ATOM 740 C ILE A 50 6.014 4.741 -2.412 1.00 0.00 C ATOM 741 O ILE A 50 6.276 5.881 -2.030 1.00 0.00 O ATOM 742 CB ILE A 50 4.855 3.910 -0.365 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.697 2.741 0.610 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.528 4.228 -1.038 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.960 3.107 1.879 1.00 0.00 C ATOM 0 H ILE A 50 7.344 3.751 0.116 1.00 0.00 H new ATOM 0 HA ILE A 50 5.643 2.676 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 50 5.174 4.787 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.164 1.932 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.684 2.360 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.780 4.456 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.651 5.089 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.201 3.368 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.885 2.230 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.503 3.895 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.959 3.460 1.630 1.00 0.00 H new ATOM 757 N GLN A 51 5.791 4.437 -3.687 1.00 0.00 N ATOM 758 CA GLN A 51 5.844 5.452 -4.733 1.00 0.00 C ATOM 759 C GLN A 51 4.461 5.685 -5.334 1.00 0.00 C ATOM 760 O GLN A 51 3.903 4.805 -5.991 1.00 0.00 O ATOM 761 CB GLN A 51 6.825 5.034 -5.830 1.00 0.00 C ATOM 762 CG GLN A 51 7.492 6.207 -6.529 1.00 0.00 C ATOM 763 CD GLN A 51 8.014 7.247 -5.556 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.733 6.923 -4.610 1.00 0.00 O ATOM 765 NE2 GLN A 51 7.653 8.504 -5.783 1.00 0.00 N ATOM 0 H GLN A 51 5.572 3.498 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 51 6.188 6.384 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.594 4.396 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.295 4.434 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.317 5.840 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.778 6.675 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.056 8.727 -6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.973 9.247 -5.161 1.00 0.00 H new ATOM 774 N ILE A 52 3.915 6.875 -5.106 1.00 0.00 N ATOM 775 CA ILE A 52 2.599 7.223 -5.625 1.00 0.00 C ATOM 776 C ILE A 52 2.713 8.091 -6.875 1.00 0.00 C ATOM 777 O ILE A 52 3.509 9.028 -6.940 1.00 0.00 O ATOM 778 CB ILE A 52 1.757 7.968 -4.573 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.535 7.081 -3.345 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.426 8.400 -5.168 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.011 7.834 -2.142 1.00 0.00 C ATOM 0 H ILE A 52 4.364 7.614 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 52 2.103 6.286 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 52 2.299 8.860 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.832 6.288 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.476 6.599 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.157 8.925 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.604 9.063 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.124 7.521 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.878 7.143 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.723 8.609 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.054 8.294 -2.389 1.00 0.00 H new ATOM 793 N PRO A 53 1.897 7.775 -7.891 1.00 0.00 N ATOM 794 CA PRO A 53 1.885 8.514 -9.157 1.00 0.00 C ATOM 795 C PRO A 53 1.310 9.917 -9.003 1.00 0.00 C ATOM 796 O PRO A 53 0.579 10.197 -8.052 1.00 0.00 O ATOM 797 CB PRO A 53 0.987 7.663 -10.057 1.00 0.00 C ATOM 798 CG PRO A 53 0.100 6.923 -9.116 1.00 0.00 C ATOM 799 CD PRO A 53 0.924 6.670 -7.883 1.00 0.00 C ATOM 0 HA PRO A 53 2.890 8.661 -9.553 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.408 8.285 -10.740 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.574 6.978 -10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.790 7.506 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.241 5.986 -9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.312 6.680 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.418 5.699 -7.922 1.00 0.00 H new ATOM 807 N ARG A 54 1.643 10.795 -9.943 1.00 0.00 N ATOM 808 CA ARG A 54 1.158 12.170 -9.911 1.00 0.00 C ATOM 809 C ARG A 54 -0.358 12.216 -10.071 1.00 0.00 C ATOM 810 O ARG A 54 -0.982 11.285 -10.581 1.00 0.00 O ATOM 811 CB ARG A 54 1.823 12.993 -11.016 1.00 0.00 C ATOM 812 CG ARG A 54 3.204 13.508 -10.644 1.00 0.00 C ATOM 813 CD ARG A 54 3.953 14.021 -11.864 1.00 0.00 C ATOM 814 NE ARG A 54 4.400 12.933 -12.730 1.00 0.00 N ATOM 815 CZ ARG A 54 4.852 13.116 -13.966 1.00 0.00 C ATOM 816 NH1 ARG A 54 4.916 14.337 -14.479 1.00 0.00 N ATOM 817 NH2 ARG A 54 5.239 12.076 -14.693 1.00 0.00 N ATOM 0 H ARG A 54 2.247 10.579 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 54 1.417 12.597 -8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.902 12.382 -11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.183 13.840 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.110 14.308 -9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.777 12.709 -10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.307 14.693 -12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.815 14.605 -11.541 1.00 0.00 H new ATOM 0 HE ARG A 54 4.363 11.981 -12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.618 15.139 -13.924 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.264 14.474 -15.428 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.190 11.135 -14.303 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.586 12.218 -15.642 1.00 0.00 H new ATOM 831 N PRO A 55 -0.967 13.324 -9.623 1.00 0.00 N ATOM 832 CA PRO A 55 -2.418 13.518 -9.705 1.00 0.00 C ATOM 833 C PRO A 55 -2.897 13.716 -11.139 1.00 0.00 C ATOM 834 O PRO A 55 -4.097 13.803 -11.397 1.00 0.00 O ATOM 835 CB PRO A 55 -2.653 14.787 -8.883 1.00 0.00 C ATOM 836 CG PRO A 55 -1.360 15.524 -8.946 1.00 0.00 C ATOM 837 CD PRO A 55 -0.286 14.473 -9.003 1.00 0.00 C ATOM 0 HA PRO A 55 -2.966 12.649 -9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.468 15.381 -9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.923 14.548 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.321 16.169 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.233 16.165 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.568 14.802 -9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.091 14.229 -8.010 1.00 0.00 H new ATOM 845 N ASP A 56 -1.950 13.787 -12.069 1.00 0.00 N ATOM 846 CA ASP A 56 -2.275 13.974 -13.478 1.00 0.00 C ATOM 847 C ASP A 56 -1.808 12.781 -14.306 1.00 0.00 C ATOM 848 O ASP A 56 -2.148 12.659 -15.483 1.00 0.00 O ATOM 849 CB ASP A 56 -1.635 15.259 -14.005 1.00 0.00 C ATOM 850 CG ASP A 56 -2.215 16.502 -13.360 1.00 0.00 C ATOM 851 OD1 ASP A 56 -1.994 16.699 -12.147 1.00 0.00 O ATOM 852 OD2 ASP A 56 -2.893 17.278 -14.068 1.00 0.00 O ATOM 0 H ASP A 56 -0.952 13.718 -11.872 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.358 14.054 -13.568 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.561 15.227 -13.824 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.775 15.315 -15.085 1.00 0.00 H new ATOM 857 N ASP A 57 -1.027 11.905 -13.684 1.00 0.00 N ATOM 858 CA ASP A 57 -0.512 10.722 -14.364 1.00 0.00 C ATOM 859 C ASP A 57 -1.600 9.662 -14.509 1.00 0.00 C ATOM 860 O ASP A 57 -2.415 9.448 -13.613 1.00 0.00 O ATOM 861 CB ASP A 57 0.679 10.145 -13.597 1.00 0.00 C ATOM 862 CG ASP A 57 1.665 9.438 -14.505 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.456 10.134 -15.176 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.646 8.190 -14.547 1.00 0.00 O ATOM 0 H ASP A 57 -0.737 11.992 -12.710 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.184 11.020 -15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.190 10.949 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.318 9.445 -12.843 1.00 0.00 H new ATOM 869 N PRO A 58 -1.616 8.986 -15.667 1.00 0.00 N ATOM 870 CA PRO A 58 -2.600 7.939 -15.958 1.00 0.00 C ATOM 871 C PRO A 58 -2.379 6.686 -15.116 1.00 0.00 C ATOM 872 O PRO A 58 -3.108 5.703 -15.247 1.00 0.00 O ATOM 873 CB PRO A 58 -2.365 7.633 -17.440 1.00 0.00 C ATOM 874 CG PRO A 58 -0.947 8.021 -17.687 1.00 0.00 C ATOM 875 CD PRO A 58 -0.674 9.190 -16.781 1.00 0.00 C ATOM 0 HA PRO A 58 -3.616 8.261 -15.730 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.530 6.578 -17.657 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.047 8.200 -18.074 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.272 7.193 -17.470 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.793 8.292 -18.731 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.360 9.198 -16.436 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.849 10.140 -17.287 1.00 0.00 H new ATOM 883 N SER A 59 -1.371 6.731 -14.251 1.00 0.00 N ATOM 884 CA SER A 59 -1.054 5.599 -13.388 1.00 0.00 C ATOM 885 C SER A 59 -1.749 5.733 -12.037 1.00 0.00 C ATOM 886 O SER A 59 -1.555 6.716 -11.323 1.00 0.00 O ATOM 887 CB SER A 59 0.459 5.490 -13.189 1.00 0.00 C ATOM 888 OG SER A 59 1.060 4.748 -14.236 1.00 0.00 O ATOM 0 H SER A 59 -0.760 7.539 -14.129 1.00 0.00 H new ATOM 0 HA SER A 59 -1.415 4.692 -13.873 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.896 6.488 -13.149 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.669 5.011 -12.233 1.00 0.00 H new ATOM 0 HG SER A 59 2.027 4.695 -14.086 1.00 0.00 H new ATOM 894 N ASN A 60 -2.558 4.736 -11.692 1.00 0.00 N ATOM 895 CA ASN A 60 -3.282 4.743 -10.426 1.00 0.00 C ATOM 896 C ASN A 60 -2.882 3.549 -9.565 1.00 0.00 C ATOM 897 O ASN A 60 -3.584 3.191 -8.619 1.00 0.00 O ATOM 898 CB ASN A 60 -4.792 4.722 -10.678 1.00 0.00 C ATOM 899 CG ASN A 60 -5.247 3.443 -11.355 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.726 3.064 -12.404 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.224 2.774 -10.756 1.00 0.00 N ATOM 0 H ASN A 60 -2.728 3.914 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.022 5.657 -9.892 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.318 4.835 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.066 5.576 -11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.573 1.907 -11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.626 3.127 -9.887 1.00 0.00 H new ATOM 908 N GLN A 61 -1.751 2.938 -9.899 1.00 0.00 N ATOM 909 CA GLN A 61 -1.258 1.785 -9.155 1.00 0.00 C ATOM 910 C GLN A 61 -0.039 2.157 -8.317 1.00 0.00 C ATOM 911 O GLN A 61 0.980 2.596 -8.848 1.00 0.00 O ATOM 912 CB GLN A 61 -0.903 0.646 -10.114 1.00 0.00 C ATOM 913 CG GLN A 61 0.016 1.071 -11.249 1.00 0.00 C ATOM 914 CD GLN A 61 0.459 -0.095 -12.109 1.00 0.00 C ATOM 915 OE1 GLN A 61 1.619 -0.177 -12.514 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.464 -1.008 -12.391 1.00 0.00 N ATOM 0 H GLN A 61 -1.159 3.222 -10.679 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.050 1.453 -8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.425 -0.156 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.821 0.237 -10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.498 1.803 -11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.894 1.566 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.414 -0.900 -12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.223 -1.817 -12.964 1.00 0.00 H new ATOM 925 N ILE A 62 -0.154 1.980 -7.005 1.00 0.00 N ATOM 926 CA ILE A 62 0.938 2.297 -6.093 1.00 0.00 C ATOM 927 C ILE A 62 2.023 1.226 -6.143 1.00 0.00 C ATOM 928 O ILE A 62 1.749 0.060 -6.426 1.00 0.00 O ATOM 929 CB ILE A 62 0.439 2.439 -4.644 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.266 3.784 -4.454 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.598 2.301 -3.668 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.982 3.909 -3.127 1.00 0.00 C ATOM 0 H ILE A 62 -0.992 1.619 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 62 1.355 3.250 -6.419 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.277 1.642 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.468 4.585 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.985 3.925 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.229 2.404 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.061 1.322 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.336 3.078 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.459 4.887 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.740 3.130 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.264 3.800 -2.314 1.00 0.00 H new ATOM 944 N LYS A 63 3.258 1.630 -5.863 1.00 0.00 N ATOM 945 CA LYS A 63 4.386 0.707 -5.871 1.00 0.00 C ATOM 946 C LYS A 63 4.951 0.525 -4.466 1.00 0.00 C ATOM 947 O LYS A 63 5.111 1.492 -3.720 1.00 0.00 O ATOM 948 CB LYS A 63 5.482 1.216 -6.810 1.00 0.00 C ATOM 949 CG LYS A 63 6.758 0.394 -6.758 1.00 0.00 C ATOM 950 CD LYS A 63 7.838 0.984 -7.649 1.00 0.00 C ATOM 951 CE LYS A 63 7.761 0.427 -9.062 1.00 0.00 C ATOM 952 NZ LYS A 63 6.804 1.191 -9.908 1.00 0.00 N ATOM 0 H LYS A 63 3.503 2.592 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 63 4.029 -0.259 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.102 1.217 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.715 2.250 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.119 0.345 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.546 -0.629 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.735 2.069 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.819 0.769 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.751 0.455 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.457 -0.619 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.106 1.145 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.854 0.779 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.782 2.184 -9.598 1.00 0.00 H new ATOM 966 N ILE A 64 5.252 -0.721 -4.111 1.00 0.00 N ATOM 967 CA ILE A 64 5.801 -1.027 -2.796 1.00 0.00 C ATOM 968 C ILE A 64 7.025 -1.931 -2.909 1.00 0.00 C ATOM 969 O ILE A 64 6.952 -3.029 -3.464 1.00 0.00 O ATOM 970 CB ILE A 64 4.755 -1.709 -1.895 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.736 -2.471 -2.745 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.059 -0.678 -1.019 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.743 -3.267 -1.928 1.00 0.00 C ATOM 0 H ILE A 64 5.125 -1.533 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 64 6.093 -0.078 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 64 5.264 -2.423 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.194 -1.762 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.267 -3.147 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.322 -1.175 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.796 -0.177 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.559 0.057 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.052 -3.781 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.275 -4.000 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.185 -2.594 -1.276 1.00 0.00 H new ATOM 985 N THR A 65 8.150 -1.462 -2.379 1.00 0.00 N ATOM 986 CA THR A 65 9.391 -2.228 -2.419 1.00 0.00 C ATOM 987 C THR A 65 10.001 -2.359 -1.028 1.00 0.00 C ATOM 988 O THR A 65 9.916 -1.441 -0.213 1.00 0.00 O ATOM 989 CB THR A 65 10.422 -1.578 -3.361 1.00 0.00 C ATOM 990 OG1 THR A 65 9.796 -1.219 -4.598 1.00 0.00 O ATOM 991 CG2 THR A 65 11.582 -2.525 -3.629 1.00 0.00 C ATOM 0 H THR A 65 8.228 -0.556 -1.917 1.00 0.00 H new ATOM 0 HA THR A 65 9.139 -3.219 -2.797 1.00 0.00 H new ATOM 0 HB THR A 65 10.810 -0.682 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.457 -0.805 -5.191 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.297 -2.044 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.074 -2.773 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.207 -3.437 -4.094 1.00 0.00 H new ATOM 999 N GLY A 66 10.618 -3.506 -0.763 1.00 0.00 N ATOM 1000 CA GLY A 66 11.235 -3.735 0.531 1.00 0.00 C ATOM 1001 C GLY A 66 11.267 -5.203 0.905 1.00 0.00 C ATOM 1002 O GLY A 66 11.255 -6.076 0.035 1.00 0.00 O ATOM 0 H GLY A 66 10.702 -4.281 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.252 -3.344 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.689 -3.180 1.294 1.00 0.00 H new ATOM 1006 N THR A 67 11.311 -5.480 2.205 1.00 0.00 N ATOM 1007 CA THR A 67 11.348 -6.853 2.693 1.00 0.00 C ATOM 1008 C THR A 67 9.973 -7.506 2.607 1.00 0.00 C ATOM 1009 O THR A 67 8.951 -6.857 2.832 1.00 0.00 O ATOM 1010 CB THR A 67 11.844 -6.918 4.150 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.417 -5.753 4.865 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.361 -7.023 4.201 1.00 0.00 C ATOM 0 H THR A 67 11.322 -4.771 2.939 1.00 0.00 H new ATOM 0 HA THR A 67 12.045 -7.396 2.054 1.00 0.00 H new ATOM 0 HB THR A 67 11.418 -7.806 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.735 -5.803 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.688 -7.067 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.681 -7.926 3.681 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.802 -6.151 3.719 1.00 0.00 H new ATOM 1020 N LYS A 68 9.954 -8.793 2.282 1.00 0.00 N ATOM 1021 CA LYS A 68 8.703 -9.535 2.168 1.00 0.00 C ATOM 1022 C LYS A 68 7.745 -9.164 3.296 1.00 0.00 C ATOM 1023 O LYS A 68 6.528 -9.182 3.118 1.00 0.00 O ATOM 1024 CB LYS A 68 8.976 -11.041 2.192 1.00 0.00 C ATOM 1025 CG LYS A 68 7.769 -11.884 1.820 1.00 0.00 C ATOM 1026 CD LYS A 68 7.563 -11.931 0.316 1.00 0.00 C ATOM 1027 CE LYS A 68 8.482 -12.949 -0.341 1.00 0.00 C ATOM 1028 NZ LYS A 68 8.164 -14.340 0.087 1.00 0.00 N ATOM 0 H LYS A 68 10.790 -9.345 2.093 1.00 0.00 H new ATOM 0 HA LYS A 68 8.238 -9.270 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.791 -11.265 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.313 -11.325 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.900 -12.897 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.878 -11.476 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.525 -12.182 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.748 -10.944 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.393 -12.873 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.517 -12.719 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.509 -15.011 -0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.626 -14.537 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.135 -14.444 0.192 1.00 0.00 H new ATOM 1042 N GLU A 69 8.304 -8.827 4.453 1.00 0.00 N ATOM 1043 CA GLU A 69 7.498 -8.450 5.609 1.00 0.00 C ATOM 1044 C GLU A 69 7.047 -6.996 5.507 1.00 0.00 C ATOM 1045 O GLU A 69 5.920 -6.658 5.867 1.00 0.00 O ATOM 1046 CB GLU A 69 8.289 -8.661 6.901 1.00 0.00 C ATOM 1047 CG GLU A 69 8.628 -10.116 7.178 1.00 0.00 C ATOM 1048 CD GLU A 69 7.394 -10.980 7.348 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.897 -11.086 8.490 1.00 0.00 O ATOM 1050 OE2 GLU A 69 6.923 -11.550 6.342 1.00 0.00 O ATOM 0 H GLU A 69 9.311 -8.807 4.616 1.00 0.00 H new ATOM 0 HA GLU A 69 6.613 -9.086 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.213 -8.085 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.713 -8.265 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.231 -10.507 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.237 -10.178 8.080 1.00 0.00 H new ATOM 1057 N GLY A 70 7.936 -6.140 5.013 1.00 0.00 N ATOM 1058 CA GLY A 70 7.612 -4.732 4.873 1.00 0.00 C ATOM 1059 C GLY A 70 6.538 -4.485 3.832 1.00 0.00 C ATOM 1060 O GLY A 70 5.527 -3.843 4.113 1.00 0.00 O ATOM 0 H GLY A 70 8.875 -6.396 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.278 -4.342 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.512 -4.181 4.600 1.00 0.00 H new ATOM 1064 N ILE A 71 6.760 -4.996 2.625 1.00 0.00 N ATOM 1065 CA ILE A 71 5.804 -4.826 1.537 1.00 0.00 C ATOM 1066 C ILE A 71 4.433 -5.370 1.922 1.00 0.00 C ATOM 1067 O ILE A 71 3.406 -4.760 1.623 1.00 0.00 O ATOM 1068 CB ILE A 71 6.282 -5.529 0.253 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.661 -5.009 -0.156 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.276 -5.320 -0.870 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.316 -5.827 -1.247 1.00 0.00 C ATOM 0 H ILE A 71 7.592 -5.530 2.376 1.00 0.00 H new ATOM 0 HA ILE A 71 5.727 -3.755 1.347 1.00 0.00 H new ATOM 0 HB ILE A 71 6.362 -6.598 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.566 -3.977 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.311 -4.999 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.627 -5.822 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.311 -5.734 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.168 -4.254 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.290 -5.401 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.443 -6.854 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.687 -5.817 -2.137 1.00 0.00 H new ATOM 1083 N GLU A 72 4.423 -6.521 2.587 1.00 0.00 N ATOM 1084 CA GLU A 72 3.177 -7.147 3.012 1.00 0.00 C ATOM 1085 C GLU A 72 2.363 -6.199 3.889 1.00 0.00 C ATOM 1086 O GLU A 72 1.174 -5.984 3.655 1.00 0.00 O ATOM 1087 CB GLU A 72 3.465 -8.442 3.775 1.00 0.00 C ATOM 1088 CG GLU A 72 3.677 -9.645 2.872 1.00 0.00 C ATOM 1089 CD GLU A 72 4.063 -10.893 3.643 1.00 0.00 C ATOM 1090 OE1 GLU A 72 3.599 -11.046 4.792 1.00 0.00 O ATOM 1091 OE2 GLU A 72 4.828 -11.715 3.098 1.00 0.00 O ATOM 0 H GLU A 72 5.264 -7.039 2.843 1.00 0.00 H new ATOM 0 HA GLU A 72 2.595 -7.380 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.352 -8.301 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.635 -8.648 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.763 -9.838 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.456 -9.416 2.145 1.00 0.00 H new ATOM 1098 N LYS A 73 3.014 -5.633 4.901 1.00 0.00 N ATOM 1099 CA LYS A 73 2.354 -4.706 5.813 1.00 0.00 C ATOM 1100 C LYS A 73 1.683 -3.572 5.044 1.00 0.00 C ATOM 1101 O LYS A 73 0.478 -3.355 5.168 1.00 0.00 O ATOM 1102 CB LYS A 73 3.364 -4.134 6.809 1.00 0.00 C ATOM 1103 CG LYS A 73 3.654 -5.058 7.980 1.00 0.00 C ATOM 1104 CD LYS A 73 4.768 -4.514 8.857 1.00 0.00 C ATOM 1105 CE LYS A 73 4.868 -5.276 10.169 1.00 0.00 C ATOM 1106 NZ LYS A 73 6.079 -4.890 10.945 1.00 0.00 N ATOM 0 H LYS A 73 3.998 -5.800 5.110 1.00 0.00 H new ATOM 0 HA LYS A 73 1.586 -5.255 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.296 -3.920 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.988 -3.185 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.750 -5.186 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.932 -6.044 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.717 -4.579 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.589 -3.458 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.977 -5.086 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.893 -6.347 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.110 -5.432 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.931 -5.095 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.043 -3.873 11.161 1.00 0.00 H new ATOM 1120 N ALA A 74 2.471 -2.853 4.252 1.00 0.00 N ATOM 1121 CA ALA A 74 1.951 -1.744 3.461 1.00 0.00 C ATOM 1122 C ALA A 74 0.860 -2.215 2.505 1.00 0.00 C ATOM 1123 O ALA A 74 -0.118 -1.507 2.267 1.00 0.00 O ATOM 1124 CB ALA A 74 3.078 -1.072 2.690 1.00 0.00 C ATOM 0 H ALA A 74 3.471 -3.018 4.141 1.00 0.00 H new ATOM 0 HA ALA A 74 1.510 -1.018 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.676 -0.246 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.822 -0.692 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.545 -1.797 2.023 1.00 0.00 H new ATOM 1130 N ARG A 75 1.038 -3.412 1.957 1.00 0.00 N ATOM 1131 CA ARG A 75 0.069 -3.976 1.024 1.00 0.00 C ATOM 1132 C ARG A 75 -1.246 -4.291 1.730 1.00 0.00 C ATOM 1133 O ARG A 75 -2.326 -4.096 1.171 1.00 0.00 O ATOM 1134 CB ARG A 75 0.630 -5.244 0.378 1.00 0.00 C ATOM 1135 CG ARG A 75 0.042 -5.541 -0.992 1.00 0.00 C ATOM 1136 CD ARG A 75 0.963 -6.429 -1.813 1.00 0.00 C ATOM 1137 NE ARG A 75 0.594 -6.442 -3.227 1.00 0.00 N ATOM 1138 CZ ARG A 75 -0.495 -7.039 -3.697 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -1.319 -7.668 -2.869 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.763 -7.006 -4.996 1.00 0.00 N ATOM 0 H ARG A 75 1.843 -4.010 2.142 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.124 -3.236 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.712 -5.147 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.441 -6.092 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.926 -6.028 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.133 -4.606 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.990 -6.080 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.931 -7.445 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 75 1.207 -5.966 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.116 -7.694 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.155 -8.126 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.132 -6.522 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.600 -7.465 -5.356 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.148 -4.781 2.963 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.329 -5.125 3.745 1.00 0.00 C ATOM 1156 C HIS A 76 -3.065 -3.866 4.198 1.00 0.00 C ATOM 1157 O HIS A 76 -4.288 -3.866 4.332 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.936 -5.964 4.961 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.082 -6.716 5.566 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.511 -7.939 5.097 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.886 -6.411 6.611 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.533 -8.354 5.825 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.780 -7.444 6.750 1.00 0.00 N ATOM 0 H HIS A 76 -0.263 -4.948 3.441 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.997 -5.709 3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.161 -6.673 4.668 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.501 -5.311 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.834 -5.522 7.221 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.074 -9.279 5.687 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.516 -7.500 7.454 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.311 -2.797 4.432 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.892 -1.534 4.871 1.00 0.00 C ATOM 1173 C GLU A 77 -3.519 -0.787 3.698 1.00 0.00 C ATOM 1174 O GLU A 77 -4.662 -0.334 3.775 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.825 -0.660 5.534 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.272 -1.246 6.823 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.331 -1.389 7.899 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.233 -2.236 7.736 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.256 -0.654 8.906 1.00 0.00 O ATOM 0 H GLU A 77 -1.297 -2.780 4.325 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.673 -1.756 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.005 -0.508 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.250 0.321 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.835 -2.223 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.468 -0.609 7.192 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.765 -0.662 2.611 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.246 0.029 1.420 1.00 0.00 C ATOM 1188 C VAL A 78 -4.489 -0.649 0.856 1.00 0.00 C ATOM 1189 O VAL A 78 -5.389 0.012 0.337 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.163 0.084 0.327 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.024 -1.268 -0.356 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.485 1.172 -0.686 1.00 0.00 C ATOM 0 H VAL A 78 -1.817 -1.031 2.530 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.497 1.046 1.723 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.209 0.326 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.254 -1.210 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.744 -2.021 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.974 -1.544 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.710 1.197 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.448 0.962 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.529 2.137 -0.182 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.532 -1.973 0.961 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.665 -2.744 0.461 1.00 0.00 C ATOM 1204 C LEU A 79 -6.866 -2.614 1.394 1.00 0.00 C ATOM 1205 O LEU A 79 -8.006 -2.501 0.943 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.279 -4.216 0.310 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.666 -4.615 -1.033 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.958 -5.955 -0.919 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.736 -4.664 -2.114 1.00 0.00 C ATOM 0 H LEU A 79 -3.795 -2.535 1.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.942 -2.346 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.571 -4.468 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.169 -4.823 0.475 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.930 -3.862 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.528 -6.223 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.164 -5.885 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.673 -6.720 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.282 -4.950 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.496 -5.396 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.198 -3.682 -2.214 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.601 -2.629 2.696 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.660 -2.511 3.692 1.00 0.00 C ATOM 1223 C LEU A 80 -8.360 -1.160 3.587 1.00 0.00 C ATOM 1224 O LEU A 80 -9.582 -1.073 3.699 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.085 -2.691 5.099 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.993 -4.131 5.607 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.283 -4.177 6.951 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.380 -4.748 5.712 1.00 0.00 C ATOM 0 H LEU A 80 -5.663 -2.722 3.086 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.393 -3.295 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.086 -2.255 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.698 -2.119 5.796 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.412 -4.713 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.226 -5.209 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.276 -3.774 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.837 -3.581 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.296 -5.772 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.986 -4.166 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.853 -4.749 4.730 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.576 -0.109 3.366 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.121 1.237 3.241 1.00 0.00 C ATOM 1242 C ILE A 81 -8.980 1.367 1.989 1.00 0.00 C ATOM 1243 O ILE A 81 -10.147 1.753 2.061 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.003 2.295 3.197 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.236 2.314 4.522 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.585 3.667 2.896 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.847 2.900 4.406 1.00 0.00 C ATOM 0 H ILE A 81 -6.562 -0.164 3.270 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.739 1.411 4.122 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.307 2.034 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.804 2.889 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.162 1.296 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.783 4.404 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.090 3.644 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.300 3.938 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.362 2.882 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.262 2.312 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.915 3.929 4.054 1.00 0.00 H new ATOM 1259 N SER A 82 -8.394 1.043 0.840 1.00 0.00 N ATOM 1260 CA SER A 82 -9.105 1.126 -0.430 1.00 0.00 C ATOM 1261 C SER A 82 -10.401 0.323 -0.381 1.00 0.00 C ATOM 1262 O SER A 82 -11.449 0.786 -0.829 1.00 0.00 O ATOM 1263 CB SER A 82 -8.219 0.618 -1.569 1.00 0.00 C ATOM 1264 OG SER A 82 -7.891 -0.749 -1.389 1.00 0.00 O ATOM 0 H SER A 82 -7.429 0.721 0.763 1.00 0.00 H new ATOM 0 HA SER A 82 -9.353 2.172 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.734 0.749 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.306 1.211 -1.616 1.00 0.00 H new ATOM 0 HG SER A 82 -7.325 -1.050 -2.131 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.320 -0.886 0.165 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.485 -1.755 0.275 1.00 0.00 C ATOM 1272 C ALA A 83 -12.607 -1.073 1.053 1.00 0.00 C ATOM 1273 O ALA A 83 -13.727 -0.946 0.559 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.104 -3.069 0.938 1.00 0.00 C ATOM 0 H ALA A 83 -9.459 -1.286 0.538 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.849 -1.962 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.984 -3.707 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.342 -3.570 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.712 -2.873 1.936 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.296 -0.638 2.270 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.280 0.029 3.115 1.00 0.00 C ATOM 1282 C GLU A 84 -14.103 1.027 2.308 1.00 0.00 C ATOM 1283 O GLU A 84 -15.331 1.055 2.403 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.586 0.744 4.276 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.288 -0.162 5.459 1.00 0.00 C ATOM 1286 CD GLU A 84 -11.471 0.529 6.533 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -10.226 0.510 6.434 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -12.075 1.089 7.471 1.00 0.00 O ATOM 0 H GLU A 84 -11.373 -0.735 2.692 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.952 -0.730 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.653 1.179 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.214 1.569 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.226 -0.511 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.750 -1.044 5.110 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.419 1.845 1.515 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.088 2.846 0.692 1.00 0.00 C ATOM 1297 C GLN A 85 -15.141 2.201 -0.202 1.00 0.00 C ATOM 1298 O GLN A 85 -16.288 2.648 -0.249 1.00 0.00 O ATOM 1299 CB GLN A 85 -13.067 3.598 -0.164 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.968 4.268 0.646 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.511 5.248 1.668 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.604 5.792 1.503 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.749 5.479 2.731 1.00 0.00 N ATOM 0 H GLN A 85 -12.403 1.835 1.425 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.586 3.552 1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.614 2.902 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.586 4.355 -0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.381 3.504 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.291 4.791 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.850 5.006 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.062 6.129 3.452 1.00 0.00 H new