USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 487 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 21 GLN : amide:sc= -2.35 K(o=-2.4,f=-5.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.03 F(o=-2.5!,f=-1) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0175 (180deg=-0.208) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 44 TYR OH : rot -165:sc= -0.948 USER MOD Single : A 45 LYS NZ :NH3+ 139:sc= -0.313 (180deg=-1.43!) USER MOD Single : A 46 SER OG : rot -35:sc= -1.11! USER MOD Single : A 47 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.8) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0342) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.081) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0339 (180deg=-0.274) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 165:sc= -4.13! (180deg=-6.05!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.492 8.365 2.148 1.00 0.00 N ATOM 243 CA GLN A 21 6.807 7.118 2.466 1.00 0.00 C ATOM 244 C GLN A 21 6.480 6.337 1.198 1.00 0.00 C ATOM 245 O GLN A 21 6.621 5.115 1.157 1.00 0.00 O ATOM 246 CB GLN A 21 5.524 7.402 3.249 1.00 0.00 C ATOM 247 CG GLN A 21 5.772 7.909 4.661 1.00 0.00 C ATOM 248 CD GLN A 21 4.490 8.273 5.384 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.394 7.934 4.937 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.621 8.966 6.509 1.00 0.00 N ATOM 0 HA GLN A 21 7.474 6.514 3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.933 8.139 2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.929 6.490 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.301 7.144 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.422 8.783 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.549 9.226 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.793 9.238 7.039 1.00 0.00 H new ATOM 259 N GLU A 22 6.043 7.051 0.165 1.00 0.00 N ATOM 260 CA GLU A 22 5.695 6.423 -1.104 1.00 0.00 C ATOM 261 C GLU A 22 6.936 5.858 -1.790 1.00 0.00 C ATOM 262 O GLU A 22 6.846 4.938 -2.604 1.00 0.00 O ATOM 263 CB GLU A 22 5.005 7.431 -2.025 1.00 0.00 C ATOM 264 CG GLU A 22 4.044 6.793 -3.014 1.00 0.00 C ATOM 265 CD GLU A 22 3.884 7.610 -4.282 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.887 7.783 -5.005 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.757 8.076 -4.550 1.00 0.00 O ATOM 0 H GLU A 22 5.922 8.064 0.182 1.00 0.00 H new ATOM 0 HA GLU A 22 5.009 5.601 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.461 8.153 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.764 7.986 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.402 5.796 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.070 6.670 -2.540 1.00 0.00 H new ATOM 274 N LYS A 23 8.095 6.414 -1.455 1.00 0.00 N ATOM 275 CA LYS A 23 9.355 5.967 -2.036 1.00 0.00 C ATOM 276 C LYS A 23 9.873 4.723 -1.321 1.00 0.00 C ATOM 277 O LYS A 23 10.482 3.848 -1.939 1.00 0.00 O ATOM 278 CB LYS A 23 10.400 7.083 -1.960 1.00 0.00 C ATOM 279 CG LYS A 23 11.018 7.245 -0.582 1.00 0.00 C ATOM 280 CD LYS A 23 12.316 8.033 -0.642 1.00 0.00 C ATOM 281 CE LYS A 23 13.277 7.609 0.458 1.00 0.00 C ATOM 282 NZ LYS A 23 14.649 8.143 0.232 1.00 0.00 N ATOM 0 H LYS A 23 8.188 7.176 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 23 9.175 5.716 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.191 6.879 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.936 8.024 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.313 7.753 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.207 6.263 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.787 7.887 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.101 9.098 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.905 7.960 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.314 6.521 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.274 7.832 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.015 7.788 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.618 9.182 0.210 1.00 0.00 H new ATOM 296 N LEU A 24 9.626 4.649 -0.018 1.00 0.00 N ATOM 297 CA LEU A 24 10.066 3.510 0.781 1.00 0.00 C ATOM 298 C LEU A 24 9.234 2.271 0.466 1.00 0.00 C ATOM 299 O LEU A 24 9.732 1.146 0.522 1.00 0.00 O ATOM 300 CB LEU A 24 9.967 3.839 2.271 1.00 0.00 C ATOM 301 CG LEU A 24 10.372 2.722 3.233 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.817 2.311 2.997 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.170 3.161 4.676 1.00 0.00 C ATOM 0 H LEU A 24 9.123 5.364 0.508 1.00 0.00 H new ATOM 0 HA LEU A 24 11.106 3.301 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.592 4.709 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.939 4.126 2.492 1.00 0.00 H new ATOM 0 HG LEU A 24 9.735 1.858 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.087 1.515 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.931 1.954 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.470 3.169 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.463 2.353 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.782 4.040 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.120 3.404 4.839 1.00 0.00 H new ATOM 315 N VAL A 25 7.966 2.485 0.132 1.00 0.00 N ATOM 316 CA VAL A 25 7.066 1.385 -0.195 1.00 0.00 C ATOM 317 C VAL A 25 7.357 0.832 -1.586 1.00 0.00 C ATOM 318 O VAL A 25 7.411 -0.382 -1.784 1.00 0.00 O ATOM 319 CB VAL A 25 5.592 1.828 -0.129 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.669 0.663 -0.453 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.271 2.408 1.240 1.00 0.00 C ATOM 0 H VAL A 25 7.538 3.410 0.081 1.00 0.00 H new ATOM 0 HA VAL A 25 7.237 0.604 0.546 1.00 0.00 H new ATOM 0 HB VAL A 25 5.431 2.606 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.632 0.995 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.883 0.297 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.829 -0.139 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.226 2.716 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.448 1.653 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.909 3.272 1.428 1.00 0.00 H new ATOM 331 N TYR A 26 7.543 1.731 -2.547 1.00 0.00 N ATOM 332 CA TYR A 26 7.827 1.333 -3.920 1.00 0.00 C ATOM 333 C TYR A 26 9.100 0.494 -3.993 1.00 0.00 C ATOM 334 O TYR A 26 9.178 -0.468 -4.756 1.00 0.00 O ATOM 335 CB TYR A 26 7.965 2.568 -4.813 1.00 0.00 C ATOM 336 CG TYR A 26 8.363 2.245 -6.235 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.480 1.608 -7.098 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.623 2.578 -6.717 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.840 1.311 -8.398 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.991 2.286 -8.016 1.00 0.00 C ATOM 341 CZ TYR A 26 9.096 1.652 -8.852 1.00 0.00 C ATOM 342 OH TYR A 26 9.458 1.359 -10.147 1.00 0.00 O ATOM 0 H TYR A 26 7.502 2.740 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 26 6.994 0.727 -4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.017 3.106 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.708 3.238 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.495 1.340 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.327 3.074 -6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.141 0.814 -9.055 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.974 2.553 -8.375 1.00 0.00 H new ATOM 0 HH TYR A 26 10.375 1.666 -10.308 1.00 0.00 H new ATOM 352 N GLN A 27 10.093 0.868 -3.192 1.00 0.00 N ATOM 353 CA GLN A 27 11.362 0.150 -3.165 1.00 0.00 C ATOM 354 C GLN A 27 11.163 -1.291 -2.709 1.00 0.00 C ATOM 355 O GLN A 27 11.807 -2.208 -3.219 1.00 0.00 O ATOM 356 CB GLN A 27 12.352 0.859 -2.239 1.00 0.00 C ATOM 357 CG GLN A 27 13.800 0.727 -2.682 1.00 0.00 C ATOM 358 CD GLN A 27 14.345 -0.674 -2.488 1.00 0.00 C ATOM 359 OE1 GLN A 27 14.231 -1.502 -3.521 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 14.862 -1.010 -1.423 1.00 0.00 N flip ATOM 0 H GLN A 27 10.043 1.663 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 27 11.766 0.138 -4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.092 1.916 -2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.250 0.453 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.880 1.001 -3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.413 1.432 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.929 -0.342 -0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.224 -1.957 -1.308 1.00 0.00 H new ATOM 369 N ILE A 28 10.268 -1.484 -1.746 1.00 0.00 N ATOM 370 CA ILE A 28 9.984 -2.814 -1.223 1.00 0.00 C ATOM 371 C ILE A 28 9.213 -3.652 -2.238 1.00 0.00 C ATOM 372 O ILE A 28 9.408 -4.864 -2.333 1.00 0.00 O ATOM 373 CB ILE A 28 9.176 -2.743 0.086 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.941 -1.942 1.141 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.870 -4.144 0.596 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.044 -1.243 2.138 1.00 0.00 C ATOM 0 H ILE A 28 9.727 -0.736 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 28 10.946 -3.286 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 28 8.232 -2.236 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.613 -2.612 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.563 -1.199 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.298 -4.077 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.289 -4.684 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.803 -4.675 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.655 -0.695 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.389 -0.547 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.441 -1.982 2.665 1.00 0.00 H new ATOM 388 N ILE A 29 8.340 -2.997 -2.995 1.00 0.00 N ATOM 389 CA ILE A 29 7.542 -3.681 -4.006 1.00 0.00 C ATOM 390 C ILE A 29 8.428 -4.271 -5.098 1.00 0.00 C ATOM 391 O ILE A 29 8.289 -5.439 -5.459 1.00 0.00 O ATOM 392 CB ILE A 29 6.515 -2.731 -4.650 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.510 -2.246 -3.603 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.799 -3.426 -5.798 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.556 -1.194 -4.124 1.00 0.00 C ATOM 0 H ILE A 29 8.167 -1.994 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 29 7.011 -4.486 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 29 7.043 -1.864 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.936 -3.098 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.054 -1.841 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.076 -2.742 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.527 -3.726 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.280 -4.308 -5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.873 -0.897 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.121 -0.325 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.986 -1.601 -4.959 1.00 0.00 H new ATOM 407 N GLU A 30 9.339 -3.455 -5.619 1.00 0.00 N ATOM 408 CA GLU A 30 10.248 -3.897 -6.670 1.00 0.00 C ATOM 409 C GLU A 30 11.166 -5.006 -6.164 1.00 0.00 C ATOM 410 O GLU A 30 11.670 -5.813 -6.945 1.00 0.00 O ATOM 411 CB GLU A 30 11.083 -2.721 -7.180 1.00 0.00 C ATOM 412 CG GLU A 30 12.061 -2.177 -6.152 1.00 0.00 C ATOM 413 CD GLU A 30 13.056 -1.203 -6.752 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.618 -0.187 -7.330 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.274 -1.458 -6.643 1.00 0.00 O ATOM 0 H GLU A 30 9.467 -2.485 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 30 9.649 -4.291 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.637 -3.036 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.414 -1.919 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.507 -1.680 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.601 -3.006 -5.695 1.00 0.00 H new ATOM 422 N ASP A 31 11.379 -5.037 -4.853 1.00 0.00 N ATOM 423 CA ASP A 31 12.236 -6.046 -4.242 1.00 0.00 C ATOM 424 C ASP A 31 11.584 -7.424 -4.306 1.00 0.00 C ATOM 425 O ASP A 31 12.258 -8.431 -4.521 1.00 0.00 O ATOM 426 CB ASP A 31 12.537 -5.678 -2.788 1.00 0.00 C ATOM 427 CG ASP A 31 13.779 -4.818 -2.654 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.855 -5.254 -3.113 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.674 -3.709 -2.090 1.00 0.00 O ATOM 0 H ASP A 31 10.970 -4.375 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 31 13.171 -6.080 -4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.684 -5.147 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.665 -6.590 -2.204 1.00 0.00 H new ATOM 434 N ALA A 32 10.269 -7.460 -4.116 1.00 0.00 N ATOM 435 CA ALA A 32 9.526 -8.714 -4.153 1.00 0.00 C ATOM 436 C ALA A 32 9.805 -9.479 -5.442 1.00 0.00 C ATOM 437 O ALA A 32 9.907 -10.705 -5.437 1.00 0.00 O ATOM 438 CB ALA A 32 8.035 -8.448 -4.006 1.00 0.00 C ATOM 0 H ALA A 32 9.696 -6.635 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 32 9.858 -9.330 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.492 -9.393 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.846 -7.950 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.697 -7.810 -4.823 1.00 0.00 H new ATOM 444 N GLY A 33 9.927 -8.747 -6.545 1.00 0.00 N ATOM 445 CA GLY A 33 10.192 -9.375 -7.826 1.00 0.00 C ATOM 446 C GLY A 33 8.921 -9.707 -8.583 1.00 0.00 C ATOM 447 O GLY A 33 7.819 -9.442 -8.105 1.00 0.00 O ATOM 0 H GLY A 33 9.847 -7.731 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.809 -8.711 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.766 -10.288 -7.668 1.00 0.00 H new ATOM 451 N ASN A 34 9.074 -10.289 -9.768 1.00 0.00 N ATOM 452 CA ASN A 34 7.930 -10.655 -10.594 1.00 0.00 C ATOM 453 C ASN A 34 6.852 -11.338 -9.757 1.00 0.00 C ATOM 454 O ASN A 34 5.657 -11.159 -9.997 1.00 0.00 O ATOM 455 CB ASN A 34 8.369 -11.580 -11.731 1.00 0.00 C ATOM 456 CG ASN A 34 7.443 -11.504 -12.929 1.00 0.00 C ATOM 457 OD1 ASN A 34 6.260 -11.830 -12.835 1.00 0.00 O ATOM 458 ND2 ASN A 34 7.979 -11.072 -14.064 1.00 0.00 N ATOM 0 H ASN A 34 9.980 -10.517 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 34 7.513 -9.741 -11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.381 -11.316 -12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.404 -12.607 -11.367 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.405 -11.000 -14.904 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.965 -10.812 -14.096 1.00 0.00 H new ATOM 465 N LYS A 35 7.282 -12.120 -8.772 1.00 0.00 N ATOM 466 CA LYS A 35 6.355 -12.828 -7.897 1.00 0.00 C ATOM 467 C LYS A 35 5.314 -11.874 -7.320 1.00 0.00 C ATOM 468 O LYS A 35 4.123 -12.180 -7.297 1.00 0.00 O ATOM 469 CB LYS A 35 7.118 -13.515 -6.762 1.00 0.00 C ATOM 470 CG LYS A 35 7.964 -14.690 -7.222 1.00 0.00 C ATOM 471 CD LYS A 35 7.132 -15.953 -7.367 1.00 0.00 C ATOM 472 CE LYS A 35 8.008 -17.171 -7.620 1.00 0.00 C ATOM 473 NZ LYS A 35 8.825 -17.524 -6.426 1.00 0.00 N ATOM 0 H LYS A 35 8.267 -12.279 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 35 5.840 -13.583 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.762 -12.784 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.405 -13.862 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.433 -14.450 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.768 -14.863 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.543 -16.108 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.427 -15.833 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.381 -18.019 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.667 -16.975 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.208 -18.484 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.609 -16.847 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.229 -17.487 -5.574 1.00 0.00 H new ATOM 487 N GLY A 36 5.773 -10.716 -6.856 1.00 0.00 N ATOM 488 CA GLY A 36 4.868 -9.734 -6.287 1.00 0.00 C ATOM 489 C GLY A 36 4.937 -9.692 -4.773 1.00 0.00 C ATOM 490 O GLY A 36 5.762 -10.373 -4.163 1.00 0.00 O ATOM 0 H GLY A 36 6.755 -10.440 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.108 -8.749 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.848 -9.963 -6.595 1.00 0.00 H new ATOM 494 N ILE A 37 4.070 -8.889 -4.165 1.00 0.00 N ATOM 495 CA ILE A 37 4.036 -8.760 -2.714 1.00 0.00 C ATOM 496 C ILE A 37 2.621 -8.484 -2.219 1.00 0.00 C ATOM 497 O ILE A 37 1.805 -7.900 -2.933 1.00 0.00 O ATOM 498 CB ILE A 37 4.967 -7.634 -2.227 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.012 -7.605 -0.698 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.506 -6.292 -2.775 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.013 -6.616 -0.142 1.00 0.00 C ATOM 0 H ILE A 37 3.382 -8.318 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 37 4.382 -9.709 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 37 5.974 -7.829 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.021 -7.359 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.256 -8.602 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.174 -5.506 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.521 -6.319 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.492 -6.088 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.991 -6.649 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.012 -6.874 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.758 -5.611 -0.480 1.00 0.00 H new ATOM 513 N TRP A 38 2.336 -8.905 -0.992 1.00 0.00 N ATOM 514 CA TRP A 38 1.019 -8.702 -0.400 1.00 0.00 C ATOM 515 C TRP A 38 0.975 -7.403 0.397 1.00 0.00 C ATOM 516 O TRP A 38 1.824 -7.162 1.256 1.00 0.00 O ATOM 517 CB TRP A 38 0.655 -9.881 0.503 1.00 0.00 C ATOM 518 CG TRP A 38 -0.785 -9.888 0.920 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.799 -9.155 0.373 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.369 -10.665 1.971 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.979 -9.429 1.023 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.742 -10.353 2.006 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.866 -11.594 2.885 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.615 -10.937 2.920 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.734 -12.173 3.792 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.095 -11.844 3.803 1.00 0.00 C ATOM 0 H TRP A 38 3.000 -9.389 -0.388 1.00 0.00 H new ATOM 0 HA TRP A 38 0.291 -8.635 -1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.879 -10.812 -0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.283 -9.855 1.393 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.690 -8.463 -0.449 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.885 -9.012 0.808 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.182 -11.855 2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.665 -10.683 2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.356 -12.891 4.504 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.748 -12.316 4.523 1.00 0.00 H new ATOM 537 N SER A 39 -0.018 -6.569 0.107 1.00 0.00 N ATOM 538 CA SER A 39 -0.170 -5.292 0.795 1.00 0.00 C ATOM 539 C SER A 39 0.163 -5.431 2.278 1.00 0.00 C ATOM 540 O SER A 39 0.776 -4.544 2.873 1.00 0.00 O ATOM 541 CB SER A 39 -1.597 -4.765 0.629 1.00 0.00 C ATOM 542 OG SER A 39 -2.518 -5.545 1.372 1.00 0.00 O ATOM 0 H SER A 39 -0.730 -6.754 -0.600 1.00 0.00 H new ATOM 0 HA SER A 39 0.526 -4.582 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.645 -3.727 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.872 -4.778 -0.426 1.00 0.00 H new ATOM 0 HG SER A 39 -3.422 -5.187 1.251 1.00 0.00 H new ATOM 548 N ARG A 40 -0.245 -6.550 2.867 1.00 0.00 N ATOM 549 CA ARG A 40 0.009 -6.805 4.280 1.00 0.00 C ATOM 550 C ARG A 40 1.508 -6.870 4.560 1.00 0.00 C ATOM 551 O ARG A 40 1.985 -6.343 5.565 1.00 0.00 O ATOM 552 CB ARG A 40 -0.658 -8.112 4.711 1.00 0.00 C ATOM 553 CG ARG A 40 -1.087 -8.125 6.170 1.00 0.00 C ATOM 554 CD ARG A 40 -1.900 -9.367 6.501 1.00 0.00 C ATOM 555 NE ARG A 40 -3.203 -9.360 5.841 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.272 -8.742 6.330 1.00 0.00 C ATOM 557 NH1 ARG A 40 -4.193 -8.084 7.479 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.423 -8.781 5.671 1.00 0.00 N ATOM 0 H ARG A 40 -0.752 -7.294 2.388 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.415 -5.981 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.531 -8.289 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.033 -8.937 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.205 -8.085 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.678 -7.234 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.345 -10.255 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.040 -9.431 7.580 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.297 -9.857 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.310 -8.052 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.015 -7.610 7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.488 -9.286 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.243 -8.306 6.048 1.00 0.00 H new ATOM 572 N ASP A 41 2.244 -7.521 3.666 1.00 0.00 N ATOM 573 CA ASP A 41 3.688 -7.655 3.816 1.00 0.00 C ATOM 574 C ASP A 41 4.358 -6.285 3.872 1.00 0.00 C ATOM 575 O ASP A 41 5.259 -6.056 4.678 1.00 0.00 O ATOM 576 CB ASP A 41 4.269 -8.474 2.663 1.00 0.00 C ATOM 577 CG ASP A 41 5.506 -9.250 3.069 1.00 0.00 C ATOM 578 OD1 ASP A 41 5.486 -9.874 4.150 1.00 0.00 O ATOM 579 OD2 ASP A 41 6.495 -9.232 2.306 1.00 0.00 O ATOM 0 H ASP A 41 1.864 -7.964 2.830 1.00 0.00 H new ATOM 0 HA ASP A 41 3.884 -8.174 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.512 -9.168 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.517 -7.808 1.837 1.00 0.00 H new ATOM 584 N VAL A 42 3.912 -5.378 3.008 1.00 0.00 N ATOM 585 CA VAL A 42 4.467 -4.031 2.959 1.00 0.00 C ATOM 586 C VAL A 42 4.330 -3.330 4.306 1.00 0.00 C ATOM 587 O VAL A 42 5.297 -2.777 4.830 1.00 0.00 O ATOM 588 CB VAL A 42 3.778 -3.179 1.877 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.405 -1.795 1.807 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.851 -3.875 0.525 1.00 0.00 C ATOM 0 H VAL A 42 3.168 -5.552 2.333 1.00 0.00 H new ATOM 0 HA VAL A 42 5.524 -4.133 2.712 1.00 0.00 H new ATOM 0 HB VAL A 42 2.728 -3.063 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.905 -1.208 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.297 -1.297 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.463 -1.887 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.359 -3.259 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.895 -4.023 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.351 -4.842 0.586 1.00 0.00 H new ATOM 600 N ARG A 43 3.123 -3.358 4.861 1.00 0.00 N ATOM 601 CA ARG A 43 2.859 -2.725 6.147 1.00 0.00 C ATOM 602 C ARG A 43 4.066 -2.849 7.072 1.00 0.00 C ATOM 603 O ARG A 43 4.470 -1.880 7.715 1.00 0.00 O ATOM 604 CB ARG A 43 1.630 -3.354 6.806 1.00 0.00 C ATOM 605 CG ARG A 43 0.326 -2.655 6.456 1.00 0.00 C ATOM 606 CD ARG A 43 -0.834 -3.198 7.276 1.00 0.00 C ATOM 607 NE ARG A 43 -0.616 -3.030 8.711 1.00 0.00 N ATOM 608 CZ ARG A 43 0.053 -3.900 9.459 1.00 0.00 C ATOM 609 NH1 ARG A 43 0.566 -4.994 8.912 1.00 0.00 N ATOM 610 NH2 ARG A 43 0.209 -3.678 10.758 1.00 0.00 N ATOM 0 H ARG A 43 2.313 -3.812 4.440 1.00 0.00 H new ATOM 0 HA ARG A 43 2.666 -1.667 5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.563 -4.400 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.761 -3.340 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.427 -1.584 6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.115 -2.785 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.753 -2.688 6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.973 -4.256 7.052 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.998 -2.199 9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.447 -5.169 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.079 -5.660 9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.185 -2.839 11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.723 -4.347 11.332 1.00 0.00 H new ATOM 624 N TYR A 44 4.636 -4.047 7.135 1.00 0.00 N ATOM 625 CA TYR A 44 5.794 -4.299 7.983 1.00 0.00 C ATOM 626 C TYR A 44 7.054 -3.679 7.384 1.00 0.00 C ATOM 627 O TYR A 44 7.736 -2.883 8.029 1.00 0.00 O ATOM 628 CB TYR A 44 5.995 -5.803 8.176 1.00 0.00 C ATOM 629 CG TYR A 44 4.700 -6.580 8.258 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.887 -6.497 9.382 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.291 -7.398 7.212 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.704 -7.206 9.461 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.108 -8.109 7.283 1.00 0.00 C ATOM 634 CZ TYR A 44 2.319 -8.010 8.409 1.00 0.00 C ATOM 635 OH TYR A 44 1.141 -8.719 8.484 1.00 0.00 O ATOM 0 H TYR A 44 4.314 -4.859 6.608 1.00 0.00 H new ATOM 0 HA TYR A 44 5.609 -3.837 8.953 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.590 -6.191 7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.568 -5.971 9.088 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.185 -5.868 10.208 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.908 -7.480 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.084 -7.131 10.342 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.803 -8.739 6.460 1.00 0.00 H new ATOM 0 HH TYR A 44 1.129 -9.408 7.787 1.00 0.00 H new ATOM 645 N LYS A 45 7.355 -4.051 6.145 1.00 0.00 N ATOM 646 CA LYS A 45 8.531 -3.532 5.455 1.00 0.00 C ATOM 647 C LYS A 45 8.520 -2.007 5.433 1.00 0.00 C ATOM 648 O LYS A 45 9.401 -1.363 6.002 1.00 0.00 O ATOM 649 CB LYS A 45 8.588 -4.073 4.024 1.00 0.00 C ATOM 650 CG LYS A 45 8.434 -5.582 3.938 1.00 0.00 C ATOM 651 CD LYS A 45 9.503 -6.299 4.745 1.00 0.00 C ATOM 652 CE LYS A 45 10.864 -6.208 4.072 1.00 0.00 C ATOM 653 NZ LYS A 45 11.624 -5.007 4.516 1.00 0.00 N ATOM 0 H LYS A 45 6.801 -4.710 5.597 1.00 0.00 H new ATOM 0 HA LYS A 45 9.416 -3.864 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.801 -3.602 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.539 -3.787 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.448 -5.869 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.492 -5.896 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.560 -5.864 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.226 -7.346 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.440 -7.106 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.733 -6.175 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.623 -5.261 4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.554 -4.265 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.226 -4.656 5.410 1.00 0.00 H new ATOM 667 N SER A 46 7.517 -1.437 4.773 1.00 0.00 N ATOM 668 CA SER A 46 7.393 0.013 4.676 1.00 0.00 C ATOM 669 C SER A 46 7.244 0.640 6.059 1.00 0.00 C ATOM 670 O SER A 46 7.412 1.847 6.226 1.00 0.00 O ATOM 671 CB SER A 46 6.193 0.386 3.803 1.00 0.00 C ATOM 672 OG SER A 46 4.991 -0.145 4.334 1.00 0.00 O ATOM 0 H SER A 46 6.779 -1.956 4.298 1.00 0.00 H new ATOM 0 HA SER A 46 8.302 0.400 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.115 1.471 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.345 0.010 2.791 1.00 0.00 H new ATOM 0 HG SER A 46 5.172 -1.016 4.745 1.00 0.00 H new ATOM 678 N ASN A 47 6.929 -0.190 7.047 1.00 0.00 N ATOM 679 CA ASN A 47 6.757 0.282 8.416 1.00 0.00 C ATOM 680 C ASN A 47 5.706 1.385 8.484 1.00 0.00 C ATOM 681 O ASN A 47 5.831 2.330 9.264 1.00 0.00 O ATOM 682 CB ASN A 47 8.087 0.794 8.972 1.00 0.00 C ATOM 683 CG ASN A 47 8.015 1.096 10.456 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.091 0.665 11.145 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.995 1.841 10.956 1.00 0.00 N ATOM 0 H ASN A 47 6.788 -1.193 6.926 1.00 0.00 H new ATOM 0 HA ASN A 47 6.416 -0.557 9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.863 0.050 8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.379 1.696 8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.001 2.077 11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.741 2.177 10.347 1.00 0.00 H new ATOM 692 N LEU A 48 4.670 1.259 7.661 1.00 0.00 N ATOM 693 CA LEU A 48 3.596 2.245 7.627 1.00 0.00 C ATOM 694 C LEU A 48 2.254 1.602 7.965 1.00 0.00 C ATOM 695 O LEU A 48 2.065 0.393 7.825 1.00 0.00 O ATOM 696 CB LEU A 48 3.525 2.904 6.248 1.00 0.00 C ATOM 697 CG LEU A 48 4.551 4.005 5.978 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.638 4.300 4.488 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.197 5.266 6.753 1.00 0.00 C ATOM 0 H LEU A 48 4.552 0.484 7.009 1.00 0.00 H new ATOM 0 HA LEU A 48 3.812 3.006 8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.645 2.129 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.528 3.325 6.119 1.00 0.00 H new ATOM 0 HG LEU A 48 5.527 3.656 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.373 5.086 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.939 3.398 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.664 4.628 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.938 6.039 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.212 5.617 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.187 5.046 7.821 1.00 0.00 H new ATOM 711 N PRO A 49 1.299 2.427 8.418 1.00 0.00 N ATOM 712 CA PRO A 49 -0.042 1.961 8.782 1.00 0.00 C ATOM 713 C PRO A 49 -0.855 1.528 7.567 1.00 0.00 C ATOM 714 O PRO A 49 -0.602 1.974 6.447 1.00 0.00 O ATOM 715 CB PRO A 49 -0.677 3.187 9.442 1.00 0.00 C ATOM 716 CG PRO A 49 0.049 4.350 8.858 1.00 0.00 C ATOM 717 CD PRO A 49 1.455 3.878 8.610 1.00 0.00 C ATOM 0 HA PRO A 49 -0.007 1.083 9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.745 3.241 9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.567 3.155 10.526 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.422 4.679 7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.037 5.200 9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.890 4.355 7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.109 4.104 9.452 1.00 0.00 H new ATOM 725 N LEU A 50 -1.834 0.659 7.794 1.00 0.00 N ATOM 726 CA LEU A 50 -2.686 0.167 6.717 1.00 0.00 C ATOM 727 C LEU A 50 -3.184 1.317 5.848 1.00 0.00 C ATOM 728 O LEU A 50 -3.122 1.255 4.620 1.00 0.00 O ATOM 729 CB LEU A 50 -3.874 -0.605 7.293 1.00 0.00 C ATOM 730 CG LEU A 50 -4.761 -1.326 6.277 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.518 -0.323 5.422 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.927 -2.253 5.404 1.00 0.00 C ATOM 0 H LEU A 50 -2.057 0.281 8.714 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.093 -0.503 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.494 -1.341 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.494 0.091 7.858 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.488 -1.929 6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.144 -0.855 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.146 0.299 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.808 0.307 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.574 -2.758 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.177 -1.671 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.432 -2.995 6.030 1.00 0.00 H new ATOM 744 N THR A 51 -3.677 2.369 6.494 1.00 0.00 N ATOM 745 CA THR A 51 -4.185 3.534 5.781 1.00 0.00 C ATOM 746 C THR A 51 -3.119 4.128 4.867 1.00 0.00 C ATOM 747 O THR A 51 -3.435 4.789 3.879 1.00 0.00 O ATOM 748 CB THR A 51 -4.672 4.622 6.757 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.418 5.618 6.049 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.497 5.274 7.471 1.00 0.00 C ATOM 0 H THR A 51 -3.735 2.438 7.510 1.00 0.00 H new ATOM 0 HA THR A 51 -5.027 3.193 5.179 1.00 0.00 H new ATOM 0 HB THR A 51 -5.313 4.150 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.725 6.305 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.866 6.039 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.948 4.518 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.834 5.732 6.737 1.00 0.00 H new ATOM 758 N GLU A 52 -1.856 3.886 5.204 1.00 0.00 N ATOM 759 CA GLU A 52 -0.744 4.397 4.412 1.00 0.00 C ATOM 760 C GLU A 52 -0.409 3.446 3.266 1.00 0.00 C ATOM 761 O GLU A 52 -0.132 3.879 2.147 1.00 0.00 O ATOM 762 CB GLU A 52 0.488 4.602 5.295 1.00 0.00 C ATOM 763 CG GLU A 52 0.540 5.968 5.959 1.00 0.00 C ATOM 764 CD GLU A 52 0.765 7.092 4.966 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.255 6.809 3.853 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.452 8.253 5.302 1.00 0.00 O ATOM 0 H GLU A 52 -1.578 3.340 6.019 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.043 5.356 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.504 3.832 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.385 4.467 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.393 6.143 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.340 5.977 6.700 1.00 0.00 H new ATOM 773 N ILE A 53 -0.437 2.149 3.554 1.00 0.00 N ATOM 774 CA ILE A 53 -0.137 1.138 2.549 1.00 0.00 C ATOM 775 C ILE A 53 -1.207 1.108 1.462 1.00 0.00 C ATOM 776 O ILE A 53 -0.916 0.837 0.298 1.00 0.00 O ATOM 777 CB ILE A 53 -0.021 -0.264 3.177 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.351 -0.442 3.830 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.257 -1.337 2.125 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.614 0.530 4.958 1.00 0.00 C ATOM 0 H ILE A 53 -0.664 1.774 4.475 1.00 0.00 H new ATOM 0 HA ILE A 53 0.821 1.409 2.106 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.785 -0.365 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.433 -1.460 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.124 -0.323 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.172 -2.322 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.255 -1.219 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.486 -1.240 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.605 0.346 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.564 1.550 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.863 0.396 5.737 1.00 0.00 H new ATOM 792 N ASN A 54 -2.446 1.391 1.852 1.00 0.00 N ATOM 793 CA ASN A 54 -3.560 1.399 0.911 1.00 0.00 C ATOM 794 C ASN A 54 -3.439 2.564 -0.066 1.00 0.00 C ATOM 795 O ASN A 54 -3.452 2.374 -1.282 1.00 0.00 O ATOM 796 CB ASN A 54 -4.890 1.484 1.663 1.00 0.00 C ATOM 797 CG ASN A 54 -5.448 0.117 2.008 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.578 -0.782 2.454 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.647 -0.127 1.874 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.703 1.618 2.813 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.530 0.469 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.750 2.058 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.614 2.026 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.279 0.595 1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.009 -1.051 2.109 1.00 0.00 H new ATOM 806 N LYS A 55 -3.321 3.772 0.475 1.00 0.00 N ATOM 807 CA LYS A 55 -3.196 4.970 -0.347 1.00 0.00 C ATOM 808 C LYS A 55 -1.914 4.933 -1.172 1.00 0.00 C ATOM 809 O LYS A 55 -1.894 5.365 -2.325 1.00 0.00 O ATOM 810 CB LYS A 55 -3.212 6.222 0.534 1.00 0.00 C ATOM 811 CG LYS A 55 -2.011 6.332 1.456 1.00 0.00 C ATOM 812 CD LYS A 55 -2.146 7.505 2.411 1.00 0.00 C ATOM 813 CE LYS A 55 -2.000 8.834 1.686 1.00 0.00 C ATOM 814 NZ LYS A 55 -0.584 9.111 1.317 1.00 0.00 N ATOM 0 H LYS A 55 -3.309 3.947 1.480 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.045 5.002 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.251 7.105 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.122 6.222 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.903 5.409 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.105 6.448 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.117 7.464 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.388 7.430 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.615 8.826 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.374 9.637 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.510 10.068 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.015 9.043 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.267 8.416 0.612 1.00 0.00 H new ATOM 828 N ILE A 56 -0.847 4.412 -0.575 1.00 0.00 N ATOM 829 CA ILE A 56 0.438 4.315 -1.257 1.00 0.00 C ATOM 830 C ILE A 56 0.391 3.279 -2.374 1.00 0.00 C ATOM 831 O ILE A 56 0.697 3.580 -3.529 1.00 0.00 O ATOM 832 CB ILE A 56 1.568 3.948 -0.278 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.815 5.095 0.704 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.841 3.612 -1.040 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.511 4.662 1.976 1.00 0.00 C ATOM 0 H ILE A 56 -0.847 4.051 0.379 1.00 0.00 H new ATOM 0 HA ILE A 56 0.643 5.296 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 56 1.265 3.068 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.416 5.860 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.861 5.555 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.631 3.355 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.656 2.766 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.150 4.474 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.653 5.526 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.901 3.919 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.481 4.229 1.731 1.00 0.00 H new ATOM 847 N LEU A 57 0.005 2.057 -2.025 1.00 0.00 N ATOM 848 CA LEU A 57 -0.084 0.975 -2.998 1.00 0.00 C ATOM 849 C LEU A 57 -0.914 1.396 -4.207 1.00 0.00 C ATOM 850 O LEU A 57 -0.618 1.017 -5.340 1.00 0.00 O ATOM 851 CB LEU A 57 -0.698 -0.269 -2.353 1.00 0.00 C ATOM 852 CG LEU A 57 0.227 -1.079 -1.444 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.534 -2.221 -0.789 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.417 -1.610 -2.230 1.00 0.00 C ATOM 0 H LEU A 57 -0.252 1.791 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 57 0.925 0.741 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.567 0.039 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.060 -0.924 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 57 0.600 -0.421 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.141 -2.786 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.352 -1.818 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.937 -2.879 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.064 -2.184 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.063 -2.252 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.977 -0.775 -2.650 1.00 0.00 H new ATOM 866 N LYS A 58 -1.954 2.185 -3.958 1.00 0.00 N ATOM 867 CA LYS A 58 -2.826 2.662 -5.024 1.00 0.00 C ATOM 868 C LYS A 58 -2.119 3.711 -5.877 1.00 0.00 C ATOM 869 O LYS A 58 -1.914 3.515 -7.074 1.00 0.00 O ATOM 870 CB LYS A 58 -4.111 3.250 -4.436 1.00 0.00 C ATOM 871 CG LYS A 58 -5.300 3.177 -5.379 1.00 0.00 C ATOM 872 CD LYS A 58 -6.487 3.958 -4.840 1.00 0.00 C ATOM 873 CE LYS A 58 -6.274 5.458 -4.973 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.430 6.232 -4.441 1.00 0.00 N ATOM 0 H LYS A 58 -2.213 2.508 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.079 1.813 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.355 2.720 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.934 4.291 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.017 3.571 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.585 2.135 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.389 3.668 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.646 3.703 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.368 5.745 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.119 5.711 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.246 7.250 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.290 5.977 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.562 6.010 -3.434 1.00 0.00 H new ATOM 888 N ASN A 59 -1.747 4.823 -5.252 1.00 0.00 N ATOM 889 CA ASN A 59 -1.061 5.902 -5.954 1.00 0.00 C ATOM 890 C ASN A 59 -0.129 5.347 -7.027 1.00 0.00 C ATOM 891 O ASN A 59 -0.227 5.712 -8.199 1.00 0.00 O ATOM 892 CB ASN A 59 -0.266 6.757 -4.965 1.00 0.00 C ATOM 893 CG ASN A 59 -1.080 7.915 -4.419 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.609 8.729 -5.176 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.182 7.994 -3.097 1.00 0.00 N ATOM 0 H ASN A 59 -1.909 5.001 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.814 6.524 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.072 6.132 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.626 7.144 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.716 8.752 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.727 7.297 -2.508 1.00 0.00 H new ATOM 902 N LEU A 60 0.773 4.462 -6.618 1.00 0.00 N ATOM 903 CA LEU A 60 1.723 3.855 -7.544 1.00 0.00 C ATOM 904 C LEU A 60 0.998 3.174 -8.700 1.00 0.00 C ATOM 905 O LEU A 60 1.371 3.338 -9.861 1.00 0.00 O ATOM 906 CB LEU A 60 2.602 2.840 -6.811 1.00 0.00 C ATOM 907 CG LEU A 60 3.391 3.375 -5.615 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.885 2.229 -4.746 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.558 4.231 -6.086 1.00 0.00 C ATOM 0 H LEU A 60 0.867 4.149 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 60 2.353 4.647 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.968 2.023 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.307 2.417 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 60 2.727 3.998 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.444 2.629 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.033 1.657 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.533 1.579 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.108 4.603 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.222 3.631 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.181 5.073 -6.666 1.00 0.00 H new ATOM 921 N GLU A 61 -0.042 2.413 -8.374 1.00 0.00 N ATOM 922 CA GLU A 61 -0.821 1.710 -9.387 1.00 0.00 C ATOM 923 C GLU A 61 -1.402 2.688 -10.403 1.00 0.00 C ATOM 924 O GLU A 61 -1.707 2.316 -11.536 1.00 0.00 O ATOM 925 CB GLU A 61 -1.948 0.910 -8.730 1.00 0.00 C ATOM 926 CG GLU A 61 -1.489 -0.409 -8.131 1.00 0.00 C ATOM 927 CD GLU A 61 -2.647 -1.298 -7.720 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.711 -0.754 -7.355 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.490 -2.536 -7.763 1.00 0.00 O ATOM 0 H GLU A 61 -0.364 2.268 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.155 1.024 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.404 1.516 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.722 0.713 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.870 -0.937 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.862 -0.210 -7.262 1.00 0.00 H new ATOM 936 N SER A 62 -1.554 3.942 -9.989 1.00 0.00 N ATOM 937 CA SER A 62 -2.103 4.974 -10.860 1.00 0.00 C ATOM 938 C SER A 62 -0.987 5.753 -11.550 1.00 0.00 C ATOM 939 O SER A 62 -1.184 6.329 -12.620 1.00 0.00 O ATOM 940 CB SER A 62 -2.988 5.931 -10.059 1.00 0.00 C ATOM 941 OG SER A 62 -3.959 6.544 -10.889 1.00 0.00 O ATOM 0 H SER A 62 -1.304 4.268 -9.055 1.00 0.00 H new ATOM 0 HA SER A 62 -2.708 4.485 -11.624 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.484 5.386 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.370 6.697 -9.591 1.00 0.00 H new ATOM 0 HG SER A 62 -4.512 7.149 -10.353 1.00 0.00 H new ATOM 947 N LYS A 63 0.188 5.766 -10.929 1.00 0.00 N ATOM 948 CA LYS A 63 1.338 6.471 -11.481 1.00 0.00 C ATOM 949 C LYS A 63 2.132 5.568 -12.420 1.00 0.00 C ATOM 950 O LYS A 63 3.305 5.820 -12.697 1.00 0.00 O ATOM 951 CB LYS A 63 2.243 6.975 -10.354 1.00 0.00 C ATOM 952 CG LYS A 63 1.515 7.815 -9.320 1.00 0.00 C ATOM 953 CD LYS A 63 2.143 7.673 -7.943 1.00 0.00 C ATOM 954 CE LYS A 63 3.292 8.652 -7.751 1.00 0.00 C ATOM 955 NZ LYS A 63 2.812 10.058 -7.660 1.00 0.00 N ATOM 0 H LYS A 63 0.368 5.296 -10.042 1.00 0.00 H new ATOM 0 HA LYS A 63 0.969 7.324 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.702 6.120 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.052 7.565 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.533 8.862 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.468 7.513 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.386 7.844 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.506 6.654 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.840 8.396 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.991 8.560 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.533 10.641 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.639 10.428 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.929 10.089 -7.112 1.00 0.00 H new ATOM 969 N LYS A 64 1.485 4.515 -12.907 1.00 0.00 N ATOM 970 CA LYS A 64 2.129 3.575 -13.817 1.00 0.00 C ATOM 971 C LYS A 64 3.446 3.070 -13.236 1.00 0.00 C ATOM 972 O LYS A 64 4.455 2.989 -13.938 1.00 0.00 O ATOM 973 CB LYS A 64 2.378 4.236 -15.174 1.00 0.00 C ATOM 974 CG LYS A 64 1.119 4.781 -15.825 1.00 0.00 C ATOM 975 CD LYS A 64 0.203 3.662 -16.292 1.00 0.00 C ATOM 976 CE LYS A 64 -1.250 4.110 -16.330 1.00 0.00 C ATOM 977 NZ LYS A 64 -2.187 2.974 -16.107 1.00 0.00 N ATOM 0 H LYS A 64 0.515 4.291 -12.687 1.00 0.00 H new ATOM 0 HA LYS A 64 1.462 2.724 -13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.092 5.049 -15.047 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.838 3.509 -15.844 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.587 5.416 -15.116 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.390 5.409 -16.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.509 3.331 -17.284 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.304 2.806 -15.625 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.415 4.872 -15.568 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.462 4.572 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.167 3.321 -16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.047 2.258 -16.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.002 2.549 -15.176 1.00 0.00 H new ATOM 991 N LEU A 65 3.430 2.732 -11.951 1.00 0.00 N ATOM 992 CA LEU A 65 4.623 2.234 -11.276 1.00 0.00 C ATOM 993 C LEU A 65 4.447 0.777 -10.863 1.00 0.00 C ATOM 994 O LEU A 65 5.410 0.010 -10.831 1.00 0.00 O ATOM 995 CB LEU A 65 4.933 3.091 -10.047 1.00 0.00 C ATOM 996 CG LEU A 65 5.384 4.525 -10.324 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.679 5.254 -9.022 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.606 4.534 -11.231 1.00 0.00 C ATOM 0 H LEU A 65 2.604 2.794 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 65 5.458 2.296 -11.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.042 3.127 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.711 2.592 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 65 4.574 5.048 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.999 6.273 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.779 5.279 -8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.471 4.733 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.913 5.563 -11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.421 3.994 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.360 4.052 -12.177 1.00 0.00 H new ATOM 1010 N ILE A 66 3.212 0.401 -10.550 1.00 0.00 N ATOM 1011 CA ILE A 66 2.909 -0.965 -10.143 1.00 0.00 C ATOM 1012 C ILE A 66 1.511 -1.376 -10.592 1.00 0.00 C ATOM 1013 O ILE A 66 0.814 -0.616 -11.264 1.00 0.00 O ATOM 1014 CB ILE A 66 3.016 -1.134 -8.616 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.958 -0.283 -7.911 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.411 -0.759 -8.138 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.758 -0.648 -6.457 1.00 0.00 C ATOM 0 H ILE A 66 2.404 1.024 -10.571 1.00 0.00 H new ATOM 0 HA ILE A 66 3.646 -1.608 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 66 2.837 -2.180 -8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.245 0.767 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.009 -0.388 -8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.471 -0.884 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.146 -1.404 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.617 0.280 -8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.994 -0.004 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.441 -1.688 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.695 -0.515 -5.916 1.00 0.00 H new ATOM 1029 N LYS A 67 1.105 -2.584 -10.215 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.211 -3.096 -10.575 1.00 0.00 C ATOM 1031 C LYS A 67 -0.655 -4.186 -9.604 1.00 0.00 C ATOM 1032 O LYS A 67 0.148 -4.706 -8.831 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.194 -3.647 -12.002 1.00 0.00 C ATOM 1034 CG LYS A 67 0.842 -4.736 -12.222 1.00 0.00 C ATOM 1035 CD LYS A 67 0.530 -5.562 -13.458 1.00 0.00 C ATOM 1036 CE LYS A 67 1.499 -6.724 -13.611 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.339 -7.411 -14.922 1.00 0.00 N ATOM 0 H LYS A 67 1.670 -3.227 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.922 -2.271 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.181 -4.043 -12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.002 -2.829 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.829 -4.285 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.878 -5.387 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.489 -5.943 -13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.579 -4.927 -14.343 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.522 -6.359 -13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.339 -7.439 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.017 -8.197 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.371 -7.782 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.517 -6.735 -15.692 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.939 -4.526 -9.650 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.489 -5.556 -8.777 1.00 0.00 C ATOM 1053 C ALA A 68 -2.503 -6.914 -9.471 1.00 0.00 C ATOM 1054 O ALA A 68 -3.011 -7.048 -10.585 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.892 -5.175 -8.329 1.00 0.00 C ATOM 0 H ALA A 68 -2.618 -4.103 -10.283 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.848 -5.633 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.290 -5.953 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.857 -4.231 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.536 -5.068 -9.202 1.00 0.00 H new ATOM 1061 N VAL A 69 -1.942 -7.919 -8.807 1.00 0.00 N ATOM 1062 CA VAL A 69 -1.890 -9.267 -9.361 1.00 0.00 C ATOM 1063 C VAL A 69 -2.504 -10.279 -8.400 1.00 0.00 C ATOM 1064 O VAL A 69 -2.562 -10.049 -7.191 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.444 -9.689 -9.679 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.393 -11.151 -10.095 1.00 0.00 C ATOM 1067 CG2 VAL A 69 0.145 -8.796 -10.761 1.00 0.00 C ATOM 0 H VAL A 69 -1.517 -7.826 -7.885 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.467 -9.251 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 69 0.157 -9.573 -8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.637 -11.431 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.772 -11.773 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.007 -11.298 -10.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.168 -9.108 -10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.455 -8.878 -11.667 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.145 -7.761 -10.418 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.401 -8.456 -4.089 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.963 -8.420 -4.327 1.00 0.00 C ATOM 1225 C VAL A 79 -0.595 -7.306 -5.300 1.00 0.00 C ATOM 1226 O VAL A 79 -1.362 -6.981 -6.207 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.452 -9.762 -4.882 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.069 -9.797 -4.880 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -1.021 -10.922 -4.080 1.00 0.00 C ATOM 0 HA VAL A 79 -0.488 -8.229 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.792 -9.862 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.411 -10.753 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.452 -8.988 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.434 -9.674 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.649 -11.862 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.713 -10.830 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.109 -10.906 -4.139 1.00 0.00 H new ATOM 1239 N TYR A 80 0.584 -6.724 -5.106 1.00 0.00 N ATOM 1240 CA TYR A 80 1.054 -5.645 -5.966 1.00 0.00 C ATOM 1241 C TYR A 80 2.470 -5.920 -6.461 1.00 0.00 C ATOM 1242 O TYR A 80 3.265 -6.562 -5.776 1.00 0.00 O ATOM 1243 CB TYR A 80 1.013 -4.312 -5.215 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.367 -3.934 -4.727 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.930 -4.560 -3.622 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -1.108 -2.951 -5.372 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.191 -4.218 -3.173 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.368 -2.601 -4.929 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.906 -3.238 -3.829 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.162 -2.893 -3.386 1.00 0.00 O ATOM 0 H TYR A 80 1.231 -6.982 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 80 0.392 -5.588 -6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.689 -4.364 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.386 -3.524 -5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.372 -5.327 -3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.691 -2.452 -6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.615 -4.715 -2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.929 -1.833 -5.440 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.528 -2.186 -3.958 1.00 0.00 H new ATOM 1260 N MET A 81 2.778 -5.428 -7.657 1.00 0.00 N ATOM 1261 CA MET A 81 4.099 -5.618 -8.244 1.00 0.00 C ATOM 1262 C MET A 81 4.391 -4.544 -9.287 1.00 0.00 C ATOM 1263 O MET A 81 3.495 -3.808 -9.702 1.00 0.00 O ATOM 1264 CB MET A 81 4.202 -7.005 -8.881 1.00 0.00 C ATOM 1265 CG MET A 81 3.648 -7.067 -10.295 1.00 0.00 C ATOM 1266 SD MET A 81 4.006 -8.634 -11.113 1.00 0.00 S ATOM 1267 CE MET A 81 3.429 -9.799 -9.881 1.00 0.00 C ATOM 0 H MET A 81 2.131 -4.895 -8.238 1.00 0.00 H new ATOM 0 HA MET A 81 4.838 -5.535 -7.447 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.248 -7.312 -8.895 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.667 -7.722 -8.258 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.569 -6.915 -10.265 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.069 -6.251 -10.882 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.332 -10.787 -10.331 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.144 -9.843 -9.059 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.459 -9.477 -9.502 1.00 0.00 H new ATOM 1277 N LEU A 82 5.648 -4.459 -9.707 1.00 0.00 N ATOM 1278 CA LEU A 82 6.058 -3.474 -10.702 1.00 0.00 C ATOM 1279 C LEU A 82 5.150 -3.527 -11.926 1.00 0.00 C ATOM 1280 O LEU A 82 4.798 -4.606 -12.404 1.00 0.00 O ATOM 1281 CB LEU A 82 7.510 -3.714 -11.118 1.00 0.00 C ATOM 1282 CG LEU A 82 8.579 -3.167 -10.171 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.950 -3.713 -10.541 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.584 -1.646 -10.195 1.00 0.00 C ATOM 0 H LEU A 82 6.402 -5.060 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 82 5.975 -2.484 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.663 -4.788 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.663 -3.270 -12.102 1.00 0.00 H new ATOM 0 HG LEU A 82 8.342 -3.494 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.698 -3.313 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.939 -4.801 -10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.196 -3.417 -11.561 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.351 -1.274 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.796 -1.299 -11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.609 -1.274 -9.881 1.00 0.00 H new ATOM 1296 N TYR A 83 4.778 -2.356 -12.431 1.00 0.00 N ATOM 1297 CA TYR A 83 3.911 -2.269 -13.600 1.00 0.00 C ATOM 1298 C TYR A 83 4.684 -2.588 -14.876 1.00 0.00 C ATOM 1299 O TYR A 83 4.119 -3.085 -15.850 1.00 0.00 O ATOM 1300 CB TYR A 83 3.293 -0.874 -13.701 1.00 0.00 C ATOM 1301 CG TYR A 83 2.304 -0.729 -14.835 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.267 -1.640 -14.999 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.405 0.319 -15.742 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.362 -1.512 -16.035 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.504 0.455 -16.780 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.484 -0.463 -16.922 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.417 -0.331 -17.954 1.00 0.00 O ATOM 0 H TYR A 83 5.063 -1.454 -12.049 1.00 0.00 H new ATOM 0 HA TYR A 83 3.115 -3.004 -13.485 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.792 -0.639 -12.762 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.090 -0.142 -13.830 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.167 -2.461 -14.305 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.202 1.040 -15.633 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.437 -2.230 -16.150 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.597 1.275 -17.476 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.191 0.460 -18.486 1.00 0.00 H new ATOM 1317 N ASN A 84 5.981 -2.300 -14.862 1.00 0.00 N ATOM 1318 CA ASN A 84 6.834 -2.555 -16.018 1.00 0.00 C ATOM 1319 C ASN A 84 6.959 -4.053 -16.280 1.00 0.00 C ATOM 1320 O ASN A 84 6.944 -4.496 -17.430 1.00 0.00 O ATOM 1321 CB ASN A 84 8.220 -1.947 -15.799 1.00 0.00 C ATOM 1322 CG ASN A 84 8.153 -0.561 -15.188 1.00 0.00 C ATOM 1323 OD1 ASN A 84 7.361 0.280 -15.613 1.00 0.00 O ATOM 1324 ND2 ASN A 84 8.988 -0.316 -14.184 1.00 0.00 N ATOM 0 H ASN A 84 6.465 -1.890 -14.063 1.00 0.00 H new ATOM 0 HA ASN A 84 6.374 -2.088 -16.889 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.802 -2.600 -15.148 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.746 -1.896 -16.752 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.989 0.599 -13.733 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.628 -1.043 -13.864 1.00 0.00 H new