USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 67 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.3) USER MOD Single : A 26 GLN : amide:sc= 0.559 K(o=0.56,f=-3.1!) USER MOD Single : A 29 THR OG1 : rot 66:sc= 0.837 USER MOD Single : A 33 SER OG : rot -72:sc= 0.177 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.8) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 87:sc= -1.61 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0536 K(o=-0.054,f=-5.1!) USER MOD Single : A 53 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -176:sc= -1.12 (180deg=-1.18) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc=-0.00235 (180deg=-0.213) USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= -1.58! (180deg=-3.66!) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 0.505 (180deg=0.0767) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 68:sc= 0.281 USER MOD Single : A 73 CYS SG : rot -36:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -3.580 -11.316 -3.327 1.00 0.00 N ATOM 249 CA GLU A 17 -2.392 -10.480 -3.522 1.00 0.00 C ATOM 250 C GLU A 17 -2.597 -9.454 -4.645 1.00 0.00 C ATOM 251 O GLU A 17 -2.420 -8.272 -4.400 1.00 0.00 O ATOM 252 CB GLU A 17 -1.142 -11.349 -3.785 1.00 0.00 C ATOM 253 CG GLU A 17 0.164 -10.545 -3.864 1.00 0.00 C ATOM 254 CD GLU A 17 1.404 -11.440 -3.845 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.805 -11.868 -2.746 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.962 -11.741 -4.924 1.00 0.00 O ATOM 0 HA GLU A 17 -2.230 -9.923 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.054 -12.092 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.280 -11.894 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.165 -9.948 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.210 -9.849 -3.027 1.00 0.00 H new ATOM 263 N GLY A 18 -3.003 -9.908 -5.849 1.00 0.00 N ATOM 264 CA GLY A 18 -3.241 -9.015 -6.991 1.00 0.00 C ATOM 265 C GLY A 18 -4.258 -7.911 -6.717 1.00 0.00 C ATOM 266 O GLY A 18 -3.964 -6.739 -6.941 1.00 0.00 O ATOM 0 H GLY A 18 -3.172 -10.893 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.296 -8.559 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.585 -9.609 -7.838 1.00 0.00 H new ATOM 270 N HIS A 19 -5.422 -8.293 -6.159 1.00 0.00 N ATOM 271 CA HIS A 19 -6.538 -7.352 -5.894 1.00 0.00 C ATOM 272 C HIS A 19 -6.163 -6.317 -4.814 1.00 0.00 C ATOM 273 O HIS A 19 -6.395 -5.111 -4.979 1.00 0.00 O ATOM 274 CB HIS A 19 -7.816 -8.123 -5.472 1.00 0.00 C ATOM 275 CG HIS A 19 -8.511 -8.855 -6.596 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.802 -8.588 -6.976 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.097 -9.870 -7.384 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.156 -9.409 -7.936 1.00 0.00 C ATOM 279 NE2 HIS A 19 -9.140 -10.198 -8.204 1.00 0.00 N ATOM 0 H HIS A 19 -5.619 -9.254 -5.879 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.738 -6.815 -6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.551 -8.842 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.518 -7.419 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.123 -10.336 -7.369 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.119 -9.432 -8.424 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.131 -10.935 -8.909 1.00 0.00 H new ATOM 288 N LEU A 20 -5.593 -6.824 -3.716 1.00 0.00 N ATOM 289 CA LEU A 20 -5.161 -6.014 -2.567 1.00 0.00 C ATOM 290 C LEU A 20 -4.038 -5.031 -2.977 1.00 0.00 C ATOM 291 O LEU A 20 -4.052 -3.867 -2.569 1.00 0.00 O ATOM 292 CB LEU A 20 -4.726 -6.983 -1.424 1.00 0.00 C ATOM 293 CG LEU A 20 -4.429 -6.383 -0.005 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.983 -5.874 0.129 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.445 -5.270 0.362 1.00 0.00 C ATOM 0 H LEU A 20 -5.415 -7.821 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.981 -5.394 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.509 -7.733 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.830 -7.506 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.546 -7.200 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.831 -5.469 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.290 -6.699 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.802 -5.093 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.211 -4.876 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.386 -4.467 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.453 -5.684 0.366 1.00 0.00 H new ATOM 307 N GLU A 21 -3.110 -5.522 -3.813 1.00 0.00 N ATOM 308 CA GLU A 21 -1.983 -4.743 -4.365 1.00 0.00 C ATOM 309 C GLU A 21 -2.506 -3.578 -5.218 1.00 0.00 C ATOM 310 O GLU A 21 -2.110 -2.431 -5.009 1.00 0.00 O ATOM 311 CB GLU A 21 -1.082 -5.687 -5.215 1.00 0.00 C ATOM 312 CG GLU A 21 0.044 -5.004 -6.001 1.00 0.00 C ATOM 313 CD GLU A 21 0.946 -6.022 -6.706 1.00 0.00 C ATOM 314 OE1 GLU A 21 1.905 -6.522 -6.081 1.00 0.00 O ATOM 315 OE2 GLU A 21 0.675 -6.357 -7.880 1.00 0.00 O ATOM 0 H GLU A 21 -3.119 -6.491 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.394 -4.323 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.638 -6.429 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.716 -6.227 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.387 -4.328 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.643 -4.396 -5.323 1.00 0.00 H new ATOM 322 N GLN A 22 -3.459 -3.892 -6.127 1.00 0.00 N ATOM 323 CA GLN A 22 -4.084 -2.900 -7.031 1.00 0.00 C ATOM 324 C GLN A 22 -4.735 -1.781 -6.209 1.00 0.00 C ATOM 325 O GLN A 22 -4.608 -0.603 -6.554 1.00 0.00 O ATOM 326 CB GLN A 22 -5.152 -3.573 -7.937 1.00 0.00 C ATOM 327 CG GLN A 22 -4.586 -4.505 -9.028 1.00 0.00 C ATOM 328 CD GLN A 22 -5.637 -5.433 -9.659 1.00 0.00 C ATOM 329 OE1 GLN A 22 -6.609 -5.829 -9.014 1.00 0.00 O ATOM 330 NE2 GLN A 22 -5.448 -5.798 -10.908 1.00 0.00 N ATOM 0 H GLN A 22 -3.815 -4.839 -6.253 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.306 -2.479 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.832 -4.146 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.743 -2.793 -8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.134 -3.898 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.791 -5.113 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.635 -5.457 -11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.114 -6.422 -11.363 1.00 0.00 H new ATOM 339 N ARG A 23 -5.400 -2.170 -5.098 1.00 0.00 N ATOM 340 CA ARG A 23 -6.101 -1.239 -4.204 1.00 0.00 C ATOM 341 C ARG A 23 -5.136 -0.320 -3.444 1.00 0.00 C ATOM 342 O ARG A 23 -5.388 0.879 -3.375 1.00 0.00 O ATOM 343 CB ARG A 23 -7.023 -2.027 -3.215 1.00 0.00 C ATOM 344 CG ARG A 23 -8.387 -2.427 -3.818 1.00 0.00 C ATOM 345 CD ARG A 23 -9.246 -1.203 -4.168 1.00 0.00 C ATOM 346 NE ARG A 23 -9.444 -0.354 -2.995 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.716 0.958 -3.003 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.830 1.638 -4.139 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.871 1.582 -1.851 1.00 0.00 N ATOM 0 H ARG A 23 -5.462 -3.144 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.721 -0.594 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.503 -2.927 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.193 -1.417 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.225 -3.024 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.925 -3.056 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.764 -0.630 -4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.212 -1.529 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.368 -0.803 -2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.710 1.162 -5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.038 2.636 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.783 1.066 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.078 2.581 -1.836 1.00 0.00 H new ATOM 363 N ILE A 24 -4.035 -0.883 -2.898 1.00 0.00 N ATOM 364 CA ILE A 24 -3.014 -0.086 -2.177 1.00 0.00 C ATOM 365 C ILE A 24 -2.422 0.971 -3.123 1.00 0.00 C ATOM 366 O ILE A 24 -2.444 2.161 -2.803 1.00 0.00 O ATOM 367 CB ILE A 24 -1.843 -0.949 -1.558 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.385 -1.947 -0.487 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.735 -0.034 -0.946 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.314 -2.775 0.202 1.00 0.00 C ATOM 0 H ILE A 24 -3.830 -1.881 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.530 0.381 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.397 -1.529 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.935 -1.386 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.097 -2.621 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.058 -0.653 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.322 0.607 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.167 0.584 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.780 -3.440 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.778 -3.367 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.614 -2.113 0.712 1.00 0.00 H new ATOM 382 N LEU A 25 -1.987 0.523 -4.324 1.00 0.00 N ATOM 383 CA LEU A 25 -1.329 1.388 -5.321 1.00 0.00 C ATOM 384 C LEU A 25 -2.297 2.481 -5.820 1.00 0.00 C ATOM 385 O LEU A 25 -1.875 3.602 -6.091 1.00 0.00 O ATOM 386 CB LEU A 25 -0.813 0.527 -6.513 1.00 0.00 C ATOM 387 CG LEU A 25 0.174 -0.639 -6.160 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.597 -1.429 -7.422 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.403 -0.134 -5.383 1.00 0.00 C ATOM 0 H LEU A 25 -2.084 -0.447 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.479 1.881 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.676 0.100 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.318 1.190 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.366 -1.324 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.281 -2.229 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.286 -1.858 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.094 -0.758 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.061 -0.973 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.940 0.597 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.079 0.332 -4.453 1.00 0.00 H new ATOM 401 N GLN A 26 -3.602 2.136 -5.895 1.00 0.00 N ATOM 402 CA GLN A 26 -4.666 3.065 -6.321 1.00 0.00 C ATOM 403 C GLN A 26 -4.882 4.163 -5.263 1.00 0.00 C ATOM 404 O GLN A 26 -5.013 5.330 -5.603 1.00 0.00 O ATOM 405 CB GLN A 26 -5.999 2.304 -6.572 1.00 0.00 C ATOM 406 CG GLN A 26 -7.171 3.196 -7.033 1.00 0.00 C ATOM 407 CD GLN A 26 -8.465 2.425 -7.312 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.723 1.384 -6.712 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.295 2.942 -8.201 1.00 0.00 N ATOM 0 H GLN A 26 -3.945 1.204 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.349 3.530 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.827 1.535 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.288 1.792 -5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.365 3.948 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.875 3.729 -7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.052 3.808 -8.682 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.179 2.475 -8.406 1.00 0.00 H new ATOM 418 N VAL A 27 -4.910 3.767 -3.978 1.00 0.00 N ATOM 419 CA VAL A 27 -5.069 4.696 -2.841 1.00 0.00 C ATOM 420 C VAL A 27 -3.879 5.685 -2.777 1.00 0.00 C ATOM 421 O VAL A 27 -4.056 6.876 -2.465 1.00 0.00 O ATOM 422 CB VAL A 27 -5.234 3.892 -1.493 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.205 4.814 -0.250 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.539 3.052 -1.531 1.00 0.00 C ATOM 0 H VAL A 27 -4.823 2.791 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.975 5.283 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.380 3.221 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.322 4.213 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.253 5.343 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.019 5.536 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.644 2.501 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.395 3.715 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.496 2.350 -2.364 1.00 0.00 H new ATOM 434 N LEU A 28 -2.684 5.180 -3.147 1.00 0.00 N ATOM 435 CA LEU A 28 -1.454 5.995 -3.250 1.00 0.00 C ATOM 436 C LEU A 28 -1.588 7.023 -4.401 1.00 0.00 C ATOM 437 O LEU A 28 -1.137 8.170 -4.275 1.00 0.00 O ATOM 438 CB LEU A 28 -0.219 5.076 -3.470 1.00 0.00 C ATOM 439 CG LEU A 28 0.060 3.995 -2.374 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.208 3.067 -2.799 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.339 4.610 -0.989 1.00 0.00 C ATOM 0 H LEU A 28 -2.544 4.198 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.312 6.542 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.340 4.567 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.664 5.709 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.851 3.405 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.383 2.324 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.943 2.563 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.114 3.654 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.526 3.814 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.213 5.258 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.524 5.194 -0.669 1.00 0.00 H new ATOM 453 N THR A 29 -2.242 6.598 -5.510 1.00 0.00 N ATOM 454 CA THR A 29 -2.492 7.437 -6.698 1.00 0.00 C ATOM 455 C THR A 29 -3.479 8.583 -6.387 1.00 0.00 C ATOM 456 O THR A 29 -3.178 9.747 -6.651 1.00 0.00 O ATOM 457 CB THR A 29 -3.074 6.561 -7.870 1.00 0.00 C ATOM 458 OG1 THR A 29 -2.223 5.434 -8.117 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.237 7.355 -9.175 1.00 0.00 C ATOM 0 H THR A 29 -2.613 5.652 -5.601 1.00 0.00 H new ATOM 0 HA THR A 29 -1.538 7.872 -6.996 1.00 0.00 H new ATOM 0 HB THR A 29 -4.062 6.230 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.238 4.836 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.642 6.703 -9.949 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.919 8.189 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.267 7.737 -9.492 1.00 0.00 H new ATOM 467 N GLU A 30 -4.653 8.239 -5.820 1.00 0.00 N ATOM 468 CA GLU A 30 -5.770 9.188 -5.639 1.00 0.00 C ATOM 469 C GLU A 30 -5.449 10.245 -4.577 1.00 0.00 C ATOM 470 O GLU A 30 -5.947 11.373 -4.644 1.00 0.00 O ATOM 471 CB GLU A 30 -7.078 8.429 -5.280 1.00 0.00 C ATOM 472 CG GLU A 30 -7.474 7.324 -6.281 1.00 0.00 C ATOM 473 CD GLU A 30 -7.592 7.810 -7.737 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.626 8.414 -8.095 1.00 0.00 O ATOM 475 OE2 GLU A 30 -6.646 7.600 -8.528 1.00 0.00 O ATOM 0 H GLU A 30 -4.853 7.300 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.917 9.709 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.964 7.982 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.894 9.149 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.735 6.524 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.428 6.895 -5.974 1.00 0.00 H new ATOM 482 N ALA A 31 -4.646 9.851 -3.574 1.00 0.00 N ATOM 483 CA ALA A 31 -4.028 10.796 -2.631 1.00 0.00 C ATOM 484 C ALA A 31 -3.030 11.721 -3.359 1.00 0.00 C ATOM 485 O ALA A 31 -2.928 12.914 -3.050 1.00 0.00 O ATOM 486 CB ALA A 31 -3.325 10.044 -1.500 1.00 0.00 C ATOM 0 H ALA A 31 -4.409 8.875 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.818 11.412 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.874 10.760 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.051 9.433 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.549 9.403 -1.917 1.00 0.00 H new ATOM 492 N GLY A 32 -2.292 11.137 -4.328 1.00 0.00 N ATOM 493 CA GLY A 32 -1.229 11.841 -5.062 1.00 0.00 C ATOM 494 C GLY A 32 -0.066 12.236 -4.166 1.00 0.00 C ATOM 495 O GLY A 32 0.665 13.182 -4.457 1.00 0.00 O ATOM 0 H GLY A 32 -2.419 10.168 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.863 11.203 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.644 12.735 -5.528 1.00 0.00 H new ATOM 499 N SER A 33 0.085 11.476 -3.071 1.00 0.00 N ATOM 500 CA SER A 33 1.025 11.745 -1.976 1.00 0.00 C ATOM 501 C SER A 33 1.244 10.448 -1.168 1.00 0.00 C ATOM 502 O SER A 33 0.441 9.504 -1.290 1.00 0.00 O ATOM 503 CB SER A 33 0.472 12.887 -1.083 1.00 0.00 C ATOM 504 OG SER A 33 -0.866 12.635 -0.688 1.00 0.00 O ATOM 0 H SER A 33 -0.463 10.629 -2.920 1.00 0.00 H new ATOM 0 HA SER A 33 1.987 12.068 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.100 12.995 -0.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.521 13.831 -1.626 1.00 0.00 H new ATOM 0 HG SER A 33 -1.462 12.753 -1.457 1.00 0.00 H new ATOM 510 N PRO A 34 2.368 10.334 -0.380 1.00 0.00 N ATOM 511 CA PRO A 34 2.590 9.174 0.509 1.00 0.00 C ATOM 512 C PRO A 34 1.441 8.969 1.524 1.00 0.00 C ATOM 513 O PRO A 34 1.083 9.890 2.265 1.00 0.00 O ATOM 514 CB PRO A 34 3.920 9.518 1.223 1.00 0.00 C ATOM 515 CG PRO A 34 4.613 10.470 0.300 1.00 0.00 C ATOM 516 CD PRO A 34 3.512 11.285 -0.323 1.00 0.00 C ATOM 0 HA PRO A 34 2.626 8.236 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.740 9.972 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.520 8.624 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.314 11.104 0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.186 9.937 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.274 12.164 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.788 11.641 -1.315 1.00 0.00 H new ATOM 524 N VAL A 35 0.884 7.757 1.543 1.00 0.00 N ATOM 525 CA VAL A 35 -0.241 7.379 2.413 1.00 0.00 C ATOM 526 C VAL A 35 0.297 6.526 3.568 1.00 0.00 C ATOM 527 O VAL A 35 1.154 5.663 3.355 1.00 0.00 O ATOM 528 CB VAL A 35 -1.333 6.575 1.602 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.512 6.138 2.487 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.830 7.402 0.405 1.00 0.00 C ATOM 0 H VAL A 35 1.204 6.995 0.946 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.714 8.280 2.804 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.858 5.666 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.236 5.589 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.147 5.496 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.991 7.018 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.582 6.834 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.269 8.333 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.992 7.626 -0.255 1.00 0.00 H new ATOM 540 N LYS A 36 -0.213 6.781 4.785 1.00 0.00 N ATOM 541 CA LYS A 36 0.190 6.045 5.995 1.00 0.00 C ATOM 542 C LYS A 36 -0.429 4.644 5.960 1.00 0.00 C ATOM 543 O LYS A 36 -1.501 4.454 5.375 1.00 0.00 O ATOM 544 CB LYS A 36 -0.244 6.802 7.292 1.00 0.00 C ATOM 545 CG LYS A 36 0.439 8.184 7.525 1.00 0.00 C ATOM 546 CD LYS A 36 -0.139 9.320 6.657 1.00 0.00 C ATOM 547 CE LYS A 36 0.523 10.681 6.933 1.00 0.00 C ATOM 548 NZ LYS A 36 -0.076 11.759 6.092 1.00 0.00 N ATOM 0 H LYS A 36 -0.914 7.501 4.957 1.00 0.00 H new ATOM 0 HA LYS A 36 1.277 5.966 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.323 6.951 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.035 6.164 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.338 8.456 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.506 8.090 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.012 9.067 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.211 9.400 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.410 10.935 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.593 10.614 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.392 12.664 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.054 11.527 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.092 11.838 6.301 1.00 0.00 H new ATOM 562 N LEU A 37 0.243 3.684 6.611 1.00 0.00 N ATOM 563 CA LEU A 37 -0.219 2.288 6.721 1.00 0.00 C ATOM 564 C LEU A 37 -1.559 2.240 7.467 1.00 0.00 C ATOM 565 O LEU A 37 -2.484 1.543 7.044 1.00 0.00 O ATOM 566 CB LEU A 37 0.856 1.438 7.456 1.00 0.00 C ATOM 567 CG LEU A 37 0.436 0.025 7.972 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.025 -0.931 6.825 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.562 -0.571 8.847 1.00 0.00 C ATOM 0 H LEU A 37 1.132 3.854 7.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.367 1.872 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.702 1.311 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.213 2.014 8.309 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.456 0.145 8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.257 -1.898 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.821 -0.508 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.864 -1.061 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.263 -1.557 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.473 -0.660 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.745 0.083 9.699 1.00 0.00 H new ATOM 581 N ALA A 38 -1.613 2.975 8.594 1.00 0.00 N ATOM 582 CA ALA A 38 -2.847 3.304 9.327 1.00 0.00 C ATOM 583 C ALA A 38 -4.021 3.678 8.389 1.00 0.00 C ATOM 584 O ALA A 38 -5.126 3.170 8.558 1.00 0.00 O ATOM 585 CB ALA A 38 -2.565 4.457 10.300 1.00 0.00 C ATOM 0 H ALA A 38 -0.778 3.366 9.030 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.153 2.411 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.476 4.704 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.790 4.157 11.005 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.228 5.330 9.741 1.00 0.00 H new ATOM 591 N GLN A 39 -3.761 4.523 7.369 1.00 0.00 N ATOM 592 CA GLN A 39 -4.797 4.978 6.420 1.00 0.00 C ATOM 593 C GLN A 39 -5.074 3.905 5.346 1.00 0.00 C ATOM 594 O GLN A 39 -6.202 3.788 4.860 1.00 0.00 O ATOM 595 CB GLN A 39 -4.353 6.319 5.773 1.00 0.00 C ATOM 596 CG GLN A 39 -5.336 6.906 4.735 1.00 0.00 C ATOM 597 CD GLN A 39 -4.963 8.323 4.281 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.792 8.713 4.287 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.949 9.102 3.873 1.00 0.00 N ATOM 0 H GLN A 39 -2.834 4.906 7.182 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.729 5.140 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.204 7.054 6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.387 6.169 5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.370 6.250 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.339 6.921 5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.908 8.755 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.751 10.050 3.553 1.00 0.00 H new ATOM 608 N LEU A 40 -4.041 3.109 5.005 1.00 0.00 N ATOM 609 CA LEU A 40 -4.156 2.013 4.022 1.00 0.00 C ATOM 610 C LEU A 40 -5.128 0.922 4.521 1.00 0.00 C ATOM 611 O LEU A 40 -5.773 0.267 3.705 1.00 0.00 O ATOM 612 CB LEU A 40 -2.759 1.403 3.707 1.00 0.00 C ATOM 613 CG LEU A 40 -1.781 2.306 2.881 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.376 1.663 2.785 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.357 2.613 1.474 1.00 0.00 C ATOM 0 H LEU A 40 -3.106 3.207 5.402 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.561 2.431 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.276 1.148 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.907 0.471 3.162 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.676 3.254 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.282 2.311 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.033 1.532 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.453 0.693 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.657 3.241 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.510 1.680 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.309 3.134 1.576 1.00 0.00 H new ATOM 627 N VAL A 41 -5.211 0.734 5.855 1.00 0.00 N ATOM 628 CA VAL A 41 -6.145 -0.227 6.495 1.00 0.00 C ATOM 629 C VAL A 41 -7.612 0.032 6.087 1.00 0.00 C ATOM 630 O VAL A 41 -8.272 -0.860 5.531 1.00 0.00 O ATOM 631 CB VAL A 41 -6.004 -0.189 8.075 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.972 -1.181 8.764 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.543 -0.455 8.511 1.00 0.00 C ATOM 0 H VAL A 41 -4.633 1.244 6.523 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.870 -1.220 6.139 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.280 0.815 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.843 -1.124 9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.000 -0.925 8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.756 -2.195 8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.476 -0.423 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.231 -1.438 8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.891 0.308 8.085 1.00 0.00 H new ATOM 643 N LYS A 42 -8.088 1.272 6.329 1.00 0.00 N ATOM 644 CA LYS A 42 -9.494 1.635 6.088 1.00 0.00 C ATOM 645 C LYS A 42 -9.826 1.656 4.585 1.00 0.00 C ATOM 646 O LYS A 42 -10.886 1.170 4.171 1.00 0.00 O ATOM 647 CB LYS A 42 -9.857 2.998 6.743 1.00 0.00 C ATOM 648 CG LYS A 42 -9.106 4.229 6.181 1.00 0.00 C ATOM 649 CD LYS A 42 -9.639 5.576 6.730 1.00 0.00 C ATOM 650 CE LYS A 42 -8.950 6.778 6.065 1.00 0.00 C ATOM 651 NZ LYS A 42 -9.502 8.076 6.536 1.00 0.00 N ATOM 0 H LYS A 42 -7.517 2.036 6.691 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.102 0.862 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.928 3.163 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.659 2.931 7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.047 4.140 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.187 4.230 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.715 5.636 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.481 5.617 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.881 6.743 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.065 6.708 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.007 8.857 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.517 8.123 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.369 8.157 7.564 1.00 0.00 H new ATOM 665 N GLU A 43 -8.904 2.220 3.781 1.00 0.00 N ATOM 666 CA GLU A 43 -9.078 2.374 2.330 1.00 0.00 C ATOM 667 C GLU A 43 -9.097 1.025 1.606 1.00 0.00 C ATOM 668 O GLU A 43 -10.005 0.758 0.817 1.00 0.00 O ATOM 669 CB GLU A 43 -7.957 3.278 1.772 1.00 0.00 C ATOM 670 CG GLU A 43 -7.953 4.716 2.325 1.00 0.00 C ATOM 671 CD GLU A 43 -9.245 5.489 2.022 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.429 5.927 0.864 1.00 0.00 O ATOM 673 OE2 GLU A 43 -10.081 5.663 2.936 1.00 0.00 O ATOM 0 H GLU A 43 -8.015 2.582 4.125 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.047 2.840 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.994 2.817 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.050 3.321 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.803 4.682 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.107 5.258 1.903 1.00 0.00 H new ATOM 680 N CYS A 44 -8.111 0.166 1.893 1.00 0.00 N ATOM 681 CA CYS A 44 -7.984 -1.141 1.225 1.00 0.00 C ATOM 682 C CYS A 44 -8.925 -2.178 1.868 1.00 0.00 C ATOM 683 O CYS A 44 -9.094 -3.262 1.322 1.00 0.00 O ATOM 684 CB CYS A 44 -6.515 -1.625 1.264 1.00 0.00 C ATOM 685 SG CYS A 44 -5.343 -0.427 0.595 1.00 0.00 S ATOM 0 H CYS A 44 -7.386 0.351 2.586 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.278 -1.026 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.243 -1.851 2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.432 -2.555 0.702 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.983 0.398 1.533 1.00 0.00 H new ATOM 691 N GLN A 45 -9.534 -1.809 3.030 1.00 0.00 N ATOM 692 CA GLN A 45 -10.540 -2.633 3.752 1.00 0.00 C ATOM 693 C GLN A 45 -9.951 -4.000 4.176 1.00 0.00 C ATOM 694 O GLN A 45 -10.681 -4.989 4.347 1.00 0.00 O ATOM 695 CB GLN A 45 -11.832 -2.797 2.889 1.00 0.00 C ATOM 696 CG GLN A 45 -12.609 -1.492 2.622 1.00 0.00 C ATOM 697 CD GLN A 45 -13.768 -1.648 1.616 1.00 0.00 C ATOM 698 OE1 GLN A 45 -13.589 -1.460 0.414 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.939 -2.028 2.103 1.00 0.00 N ATOM 0 H GLN A 45 -9.337 -0.922 3.494 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.816 -2.112 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.557 -3.241 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.497 -3.502 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.008 -1.119 3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.916 -0.738 2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.051 -2.175 3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.729 -2.174 1.475 1.00 0.00 H new ATOM 708 N ALA A 46 -8.628 -4.016 4.417 1.00 0.00 N ATOM 709 CA ALA A 46 -7.866 -5.248 4.703 1.00 0.00 C ATOM 710 C ALA A 46 -7.122 -5.138 6.051 1.00 0.00 C ATOM 711 O ALA A 46 -6.864 -4.024 6.531 1.00 0.00 O ATOM 712 CB ALA A 46 -6.874 -5.522 3.562 1.00 0.00 C ATOM 0 H ALA A 46 -8.054 -3.173 4.419 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.566 -6.080 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.314 -6.432 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.420 -5.645 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.183 -4.684 3.471 1.00 0.00 H new ATOM 718 N PRO A 47 -6.792 -6.301 6.709 1.00 0.00 N ATOM 719 CA PRO A 47 -5.974 -6.316 7.940 1.00 0.00 C ATOM 720 C PRO A 47 -4.528 -5.832 7.679 1.00 0.00 C ATOM 721 O PRO A 47 -3.901 -6.241 6.702 1.00 0.00 O ATOM 722 CB PRO A 47 -6.006 -7.805 8.391 1.00 0.00 C ATOM 723 CG PRO A 47 -6.335 -8.581 7.158 1.00 0.00 C ATOM 724 CD PRO A 47 -7.222 -7.680 6.330 1.00 0.00 C ATOM 0 HA PRO A 47 -6.360 -5.638 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.045 -8.112 8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.753 -7.965 9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.431 -8.849 6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.845 -9.512 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.089 -7.860 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.276 -7.844 6.552 1.00 0.00 H new ATOM 732 N LYS A 48 -4.051 -4.929 8.556 1.00 0.00 N ATOM 733 CA LYS A 48 -2.665 -4.408 8.568 1.00 0.00 C ATOM 734 C LYS A 48 -1.597 -5.522 8.445 1.00 0.00 C ATOM 735 O LYS A 48 -0.572 -5.338 7.771 1.00 0.00 O ATOM 736 CB LYS A 48 -2.448 -3.588 9.863 1.00 0.00 C ATOM 737 CG LYS A 48 -1.018 -3.046 10.050 1.00 0.00 C ATOM 738 CD LYS A 48 -0.863 -2.191 11.324 1.00 0.00 C ATOM 739 CE LYS A 48 -1.674 -0.890 11.267 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.514 -0.084 12.508 1.00 0.00 N ATOM 0 H LYS A 48 -4.630 -4.530 9.295 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.541 -3.773 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.143 -2.749 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.700 -4.214 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.320 -3.882 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.745 -2.447 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.180 -2.774 12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.190 -1.951 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.356 -0.301 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.728 -1.125 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.077 0.787 12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.841 -0.637 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.512 0.162 12.635 1.00 0.00 H new ATOM 754 N ARG A 49 -1.875 -6.683 9.079 1.00 0.00 N ATOM 755 CA ARG A 49 -1.020 -7.892 8.993 1.00 0.00 C ATOM 756 C ARG A 49 -0.785 -8.298 7.524 1.00 0.00 C ATOM 757 O ARG A 49 0.363 -8.494 7.101 1.00 0.00 O ATOM 758 CB ARG A 49 -1.684 -9.065 9.763 1.00 0.00 C ATOM 759 CG ARG A 49 -1.834 -8.856 11.284 1.00 0.00 C ATOM 760 CD ARG A 49 -2.686 -9.962 11.938 1.00 0.00 C ATOM 761 NE ARG A 49 -4.081 -9.950 11.439 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.719 -10.980 10.843 1.00 0.00 C ATOM 763 NH1 ARG A 49 -4.120 -12.154 10.652 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.973 -10.825 10.450 1.00 0.00 N ATOM 0 H ARG A 49 -2.699 -6.810 9.666 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.055 -7.661 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.672 -9.243 9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.097 -9.967 9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.847 -8.838 11.746 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.293 -7.885 11.473 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.236 -10.934 11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.686 -9.829 13.020 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.608 -9.084 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.157 -12.291 10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.624 -12.916 10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.448 -9.934 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.465 -11.596 9.999 1.00 0.00 H new ATOM 778 N GLU A 50 -1.888 -8.369 6.753 1.00 0.00 N ATOM 779 CA GLU A 50 -1.870 -8.729 5.324 1.00 0.00 C ATOM 780 C GLU A 50 -1.163 -7.634 4.495 1.00 0.00 C ATOM 781 O GLU A 50 -0.273 -7.938 3.671 1.00 0.00 O ATOM 782 CB GLU A 50 -3.332 -8.937 4.831 1.00 0.00 C ATOM 783 CG GLU A 50 -3.492 -9.273 3.332 1.00 0.00 C ATOM 784 CD GLU A 50 -2.760 -10.561 2.917 1.00 0.00 C ATOM 785 OE1 GLU A 50 -3.261 -11.664 3.225 1.00 0.00 O ATOM 786 OE2 GLU A 50 -1.690 -10.478 2.283 1.00 0.00 O ATOM 0 H GLU A 50 -2.824 -8.176 7.109 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.312 -9.656 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.782 -9.740 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.900 -8.031 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.552 -9.375 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.115 -8.441 2.738 1.00 0.00 H new ATOM 793 N LEU A 51 -1.547 -6.358 4.765 1.00 0.00 N ATOM 794 CA LEU A 51 -1.044 -5.171 4.038 1.00 0.00 C ATOM 795 C LEU A 51 0.490 -5.121 4.036 1.00 0.00 C ATOM 796 O LEU A 51 1.084 -5.028 2.979 1.00 0.00 O ATOM 797 CB LEU A 51 -1.606 -3.863 4.663 1.00 0.00 C ATOM 798 CG LEU A 51 -3.148 -3.671 4.572 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.589 -2.437 5.365 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.628 -3.575 3.112 1.00 0.00 C ATOM 0 H LEU A 51 -2.218 -6.127 5.498 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.389 -5.254 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.317 -3.833 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.125 -3.015 4.176 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.611 -4.554 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.670 -2.322 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.311 -2.559 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.100 -1.551 4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.710 -3.441 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.149 -2.725 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.366 -4.491 2.582 1.00 0.00 H new ATOM 812 N ASN A 52 1.086 -5.238 5.245 1.00 0.00 N ATOM 813 CA ASN A 52 2.554 -5.176 5.472 1.00 0.00 C ATOM 814 C ASN A 52 3.324 -6.165 4.592 1.00 0.00 C ATOM 815 O ASN A 52 4.260 -5.769 3.886 1.00 0.00 O ATOM 816 CB ASN A 52 2.877 -5.420 6.976 1.00 0.00 C ATOM 817 CG ASN A 52 2.549 -4.218 7.847 1.00 0.00 C ATOM 818 OD1 ASN A 52 2.714 -3.080 7.419 1.00 0.00 O ATOM 819 ND2 ASN A 52 2.062 -4.460 9.051 1.00 0.00 N ATOM 0 H ASN A 52 0.556 -5.380 6.105 1.00 0.00 H new ATOM 0 HA ASN A 52 2.882 -4.176 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.314 -6.284 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.934 -5.663 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.807 -3.685 9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.941 -5.422 9.368 1.00 0.00 H new ATOM 826 N GLN A 53 2.889 -7.433 4.618 1.00 0.00 N ATOM 827 CA GLN A 53 3.521 -8.527 3.855 1.00 0.00 C ATOM 828 C GLN A 53 3.558 -8.208 2.345 1.00 0.00 C ATOM 829 O GLN A 53 4.567 -8.464 1.672 1.00 0.00 O ATOM 830 CB GLN A 53 2.760 -9.848 4.132 1.00 0.00 C ATOM 831 CG GLN A 53 2.740 -10.280 5.604 1.00 0.00 C ATOM 832 CD GLN A 53 1.835 -11.494 5.860 1.00 0.00 C ATOM 833 OE1 GLN A 53 2.270 -12.640 5.799 1.00 0.00 O ATOM 834 NE2 GLN A 53 0.559 -11.246 6.114 1.00 0.00 N ATOM 0 H GLN A 53 2.086 -7.733 5.170 1.00 0.00 H new ATOM 0 HA GLN A 53 4.555 -8.637 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.732 -9.739 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.213 -10.643 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.755 -10.517 5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.401 -9.445 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.226 -10.283 6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.090 -12.018 6.265 1.00 0.00 H new ATOM 843 N VAL A 54 2.459 -7.609 1.836 1.00 0.00 N ATOM 844 CA VAL A 54 2.351 -7.157 0.436 1.00 0.00 C ATOM 845 C VAL A 54 3.237 -5.915 0.185 1.00 0.00 C ATOM 846 O VAL A 54 3.923 -5.849 -0.830 1.00 0.00 O ATOM 847 CB VAL A 54 0.847 -6.846 0.064 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.679 -6.331 -1.391 1.00 0.00 C ATOM 849 CG2 VAL A 54 -0.027 -8.093 0.313 1.00 0.00 C ATOM 0 H VAL A 54 1.621 -7.426 2.388 1.00 0.00 H new ATOM 0 HA VAL A 54 2.706 -7.964 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 54 0.514 -6.037 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.375 -6.135 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.250 -5.411 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.044 -7.085 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.062 -7.870 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.331 -8.917 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.031 -8.374 1.365 1.00 0.00 H new ATOM 859 N LEU A 55 3.217 -4.937 1.122 1.00 0.00 N ATOM 860 CA LEU A 55 3.993 -3.673 1.035 1.00 0.00 C ATOM 861 C LEU A 55 5.495 -3.895 0.811 1.00 0.00 C ATOM 862 O LEU A 55 6.082 -3.216 -0.029 1.00 0.00 O ATOM 863 CB LEU A 55 3.779 -2.807 2.319 1.00 0.00 C ATOM 864 CG LEU A 55 2.366 -2.173 2.498 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.188 -1.617 3.924 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.107 -1.078 1.442 1.00 0.00 C ATOM 0 H LEU A 55 2.655 -5.003 1.971 1.00 0.00 H new ATOM 0 HA LEU A 55 3.612 -3.147 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.988 -3.429 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.516 -2.004 2.317 1.00 0.00 H new ATOM 0 HG LEU A 55 1.627 -2.960 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.194 -1.180 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.303 -2.425 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.941 -0.852 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.114 -0.655 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.855 -0.292 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.169 -1.513 0.444 1.00 0.00 H new ATOM 878 N TYR A 56 6.116 -4.836 1.552 1.00 0.00 N ATOM 879 CA TYR A 56 7.566 -5.109 1.435 1.00 0.00 C ATOM 880 C TYR A 56 7.892 -5.886 0.149 1.00 0.00 C ATOM 881 O TYR A 56 9.018 -5.794 -0.368 1.00 0.00 O ATOM 882 CB TYR A 56 8.067 -5.869 2.687 1.00 0.00 C ATOM 883 CG TYR A 56 8.024 -5.031 3.979 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.972 -4.034 4.226 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.021 -5.214 4.938 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.927 -3.273 5.385 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.972 -4.452 6.090 1.00 0.00 C ATOM 888 CZ TYR A 56 7.922 -3.480 6.305 1.00 0.00 C ATOM 889 OH TYR A 56 7.876 -2.720 7.452 1.00 0.00 O ATOM 0 H TYR A 56 5.637 -5.420 2.238 1.00 0.00 H new ATOM 0 HA TYR A 56 8.088 -4.154 1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.460 -6.764 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.091 -6.201 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.753 -3.853 3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.267 -5.969 4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.679 -2.519 5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.192 -4.619 6.818 1.00 0.00 H new ATOM 0 HH TYR A 56 7.105 -2.991 7.993 1.00 0.00 H new ATOM 899 N ARG A 57 6.903 -6.641 -0.374 1.00 0.00 N ATOM 900 CA ARG A 57 7.013 -7.316 -1.676 1.00 0.00 C ATOM 901 C ARG A 57 7.034 -6.267 -2.794 1.00 0.00 C ATOM 902 O ARG A 57 7.962 -6.233 -3.607 1.00 0.00 O ATOM 903 CB ARG A 57 5.817 -8.288 -1.875 1.00 0.00 C ATOM 904 CG ARG A 57 5.843 -9.106 -3.190 1.00 0.00 C ATOM 905 CD ARG A 57 7.027 -10.074 -3.273 1.00 0.00 C ATOM 906 NE ARG A 57 6.984 -11.072 -2.195 1.00 0.00 N ATOM 907 CZ ARG A 57 7.904 -12.029 -1.976 1.00 0.00 C ATOM 908 NH1 ARG A 57 8.967 -12.163 -2.776 1.00 0.00 N ATOM 909 NH2 ARG A 57 7.769 -12.835 -0.932 1.00 0.00 N ATOM 0 H ARG A 57 6.011 -6.797 0.095 1.00 0.00 H new ATOM 0 HA ARG A 57 7.938 -7.892 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.790 -8.982 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.892 -7.712 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.914 -9.669 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.882 -8.420 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.018 -10.579 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.961 -9.514 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 57 6.188 -11.036 -1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.091 -11.533 -3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.654 -12.895 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.973 -12.726 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.461 -13.564 -0.757 1.00 0.00 H new ATOM 923 N MET A 58 6.008 -5.386 -2.781 1.00 0.00 N ATOM 924 CA MET A 58 5.856 -4.283 -3.748 1.00 0.00 C ATOM 925 C MET A 58 7.048 -3.315 -3.671 1.00 0.00 C ATOM 926 O MET A 58 7.427 -2.725 -4.677 1.00 0.00 O ATOM 927 CB MET A 58 4.526 -3.515 -3.504 1.00 0.00 C ATOM 928 CG MET A 58 3.255 -4.352 -3.664 1.00 0.00 C ATOM 929 SD MET A 58 1.753 -3.347 -3.698 1.00 0.00 S ATOM 930 CE MET A 58 1.777 -2.574 -2.085 1.00 0.00 C ATOM 0 H MET A 58 5.257 -5.424 -2.091 1.00 0.00 H new ATOM 0 HA MET A 58 5.829 -4.718 -4.747 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.544 -3.099 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.478 -2.674 -4.195 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.320 -4.931 -4.585 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.190 -5.066 -2.843 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.870 -1.985 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.828 -3.343 -1.314 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.648 -1.923 -2.007 1.00 0.00 H new ATOM 940 N LYS A 59 7.625 -3.166 -2.464 1.00 0.00 N ATOM 941 CA LYS A 59 8.827 -2.349 -2.225 1.00 0.00 C ATOM 942 C LYS A 59 10.029 -2.904 -3.003 1.00 0.00 C ATOM 943 O LYS A 59 10.747 -2.143 -3.672 1.00 0.00 O ATOM 944 CB LYS A 59 9.125 -2.291 -0.693 1.00 0.00 C ATOM 945 CG LYS A 59 10.520 -1.760 -0.339 1.00 0.00 C ATOM 946 CD LYS A 59 10.764 -1.575 1.174 1.00 0.00 C ATOM 947 CE LYS A 59 12.256 -1.343 1.482 1.00 0.00 C ATOM 948 NZ LYS A 59 12.916 -0.479 0.460 1.00 0.00 N ATOM 0 H LYS A 59 7.266 -3.614 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 59 8.646 -1.336 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.377 -1.660 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.014 -3.292 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.268 -2.447 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.669 -0.803 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.181 -0.729 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.414 -2.457 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.355 -0.881 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.769 -2.304 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.844 -0.170 0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.043 -1.018 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.322 0.354 0.273 1.00 0.00 H new ATOM 962 N LYS A 60 10.228 -4.232 -2.920 1.00 0.00 N ATOM 963 CA LYS A 60 11.294 -4.936 -3.640 1.00 0.00 C ATOM 964 C LYS A 60 11.043 -4.932 -5.165 1.00 0.00 C ATOM 965 O LYS A 60 11.983 -4.999 -5.960 1.00 0.00 O ATOM 966 CB LYS A 60 11.370 -6.377 -3.070 1.00 0.00 C ATOM 967 CG LYS A 60 12.512 -7.251 -3.616 1.00 0.00 C ATOM 968 CD LYS A 60 12.621 -8.629 -2.911 1.00 0.00 C ATOM 969 CE LYS A 60 13.157 -8.552 -1.465 1.00 0.00 C ATOM 970 NZ LYS A 60 12.220 -7.901 -0.501 1.00 0.00 N ATOM 0 H LYS A 60 9.649 -4.846 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 60 12.248 -4.430 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.471 -6.315 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.424 -6.879 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.361 -7.408 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.455 -6.717 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.637 -9.099 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.275 -9.275 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.377 -9.561 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.099 -8.003 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.301 -8.362 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.461 -6.893 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.244 -7.993 -0.849 1.00 0.00 H new ATOM 984 N GLU A 61 9.758 -4.825 -5.561 1.00 0.00 N ATOM 985 CA GLU A 61 9.350 -4.744 -6.978 1.00 0.00 C ATOM 986 C GLU A 61 9.287 -3.276 -7.468 1.00 0.00 C ATOM 987 O GLU A 61 8.939 -3.033 -8.628 1.00 0.00 O ATOM 988 CB GLU A 61 7.978 -5.448 -7.165 1.00 0.00 C ATOM 989 CG GLU A 61 7.947 -6.932 -6.734 1.00 0.00 C ATOM 990 CD GLU A 61 8.947 -7.814 -7.492 1.00 0.00 C ATOM 991 OE1 GLU A 61 8.638 -8.234 -8.628 1.00 0.00 O ATOM 992 OE2 GLU A 61 10.046 -8.088 -6.959 1.00 0.00 O ATOM 0 H GLU A 61 8.975 -4.792 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 61 10.100 -5.253 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.225 -4.903 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.692 -5.383 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.156 -6.996 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.942 -7.325 -6.886 1.00 0.00 H new ATOM 999 N LEU A 62 9.604 -2.314 -6.558 1.00 0.00 N ATOM 1000 CA LEU A 62 9.645 -0.844 -6.843 1.00 0.00 C ATOM 1001 C LEU A 62 8.244 -0.248 -7.133 1.00 0.00 C ATOM 1002 O LEU A 62 8.130 0.902 -7.565 1.00 0.00 O ATOM 1003 CB LEU A 62 10.678 -0.484 -7.977 1.00 0.00 C ATOM 1004 CG LEU A 62 12.202 -0.563 -7.596 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.519 0.327 -6.378 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.671 -2.015 -7.364 1.00 0.00 C ATOM 0 H LEU A 62 9.842 -2.537 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 62 9.998 -0.373 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.503 -1.152 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.466 0.528 -8.322 1.00 0.00 H new ATOM 0 HG LEU A 62 12.763 -0.181 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.580 0.252 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.272 1.363 -6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.930 -0.003 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.729 -2.018 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.096 -2.458 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.519 -2.596 -8.274 1.00 0.00 H new ATOM 1018 N LYS A 63 7.190 -1.045 -6.869 1.00 0.00 N ATOM 1019 CA LYS A 63 5.788 -0.604 -6.968 1.00 0.00 C ATOM 1020 C LYS A 63 5.447 0.404 -5.859 1.00 0.00 C ATOM 1021 O LYS A 63 4.541 1.217 -6.017 1.00 0.00 O ATOM 1022 CB LYS A 63 4.844 -1.823 -6.869 1.00 0.00 C ATOM 1023 CG LYS A 63 5.131 -2.947 -7.884 1.00 0.00 C ATOM 1024 CD LYS A 63 4.195 -4.163 -7.695 1.00 0.00 C ATOM 1025 CE LYS A 63 4.492 -5.295 -8.689 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.613 -6.478 -8.450 1.00 0.00 N ATOM 0 H LYS A 63 7.290 -2.018 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 63 5.654 -0.115 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.911 -2.236 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.818 -1.482 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.017 -2.558 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.167 -3.270 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.297 -4.541 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.160 -3.842 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.348 -4.933 -9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.537 -5.593 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.121 -7.347 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.354 -6.520 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.751 -6.392 -9.026 1.00 0.00 H new ATOM 1040 N VAL A 64 6.146 0.299 -4.711 1.00 0.00 N ATOM 1041 CA VAL A 64 6.070 1.291 -3.612 1.00 0.00 C ATOM 1042 C VAL A 64 7.486 1.639 -3.116 1.00 0.00 C ATOM 1043 O VAL A 64 8.455 0.902 -3.371 1.00 0.00 O ATOM 1044 CB VAL A 64 5.182 0.822 -2.384 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.727 0.556 -2.796 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.776 -0.407 -1.682 1.00 0.00 C ATOM 0 H VAL A 64 6.781 -0.476 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 64 5.582 2.169 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 64 5.183 1.647 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.155 0.237 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.291 1.469 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.701 -0.227 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.136 -0.694 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.842 -1.234 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.772 -0.167 -1.310 1.00 0.00 H new ATOM 1056 N SER A 65 7.604 2.776 -2.420 1.00 0.00 N ATOM 1057 CA SER A 65 8.839 3.193 -1.740 1.00 0.00 C ATOM 1058 C SER A 65 8.477 3.792 -0.380 1.00 0.00 C ATOM 1059 O SER A 65 7.389 4.349 -0.211 1.00 0.00 O ATOM 1060 CB SER A 65 9.625 4.210 -2.596 1.00 0.00 C ATOM 1061 OG SER A 65 9.981 3.656 -3.858 1.00 0.00 O ATOM 0 H SER A 65 6.838 3.440 -2.311 1.00 0.00 H new ATOM 0 HA SER A 65 9.482 2.325 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.022 5.105 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.525 4.518 -2.064 1.00 0.00 H new ATOM 0 HG SER A 65 10.476 4.322 -4.380 1.00 0.00 H new ATOM 1067 N LEU A 66 9.401 3.696 0.576 1.00 0.00 N ATOM 1068 CA LEU A 66 9.156 4.071 1.972 1.00 0.00 C ATOM 1069 C LEU A 66 9.771 5.461 2.231 1.00 0.00 C ATOM 1070 O LEU A 66 10.998 5.605 2.282 1.00 0.00 O ATOM 1071 CB LEU A 66 9.781 2.992 2.894 1.00 0.00 C ATOM 1072 CG LEU A 66 9.561 3.160 4.426 1.00 0.00 C ATOM 1073 CD1 LEU A 66 8.072 3.010 4.802 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.446 2.161 5.202 1.00 0.00 C ATOM 0 H LEU A 66 10.347 3.354 0.404 1.00 0.00 H new ATOM 0 HA LEU A 66 8.088 4.126 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.382 2.021 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.854 2.966 2.706 1.00 0.00 H new ATOM 0 HG LEU A 66 9.858 4.170 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.954 3.133 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.488 3.770 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.721 2.021 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.284 2.287 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.185 1.143 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.495 2.347 4.969 1.00 0.00 H new ATOM 1086 N THR A 67 8.905 6.476 2.356 1.00 0.00 N ATOM 1087 CA THR A 67 9.314 7.886 2.501 1.00 0.00 C ATOM 1088 C THR A 67 9.422 8.284 3.984 1.00 0.00 C ATOM 1089 O THR A 67 10.337 9.014 4.383 1.00 0.00 O ATOM 1090 CB THR A 67 8.286 8.822 1.789 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.960 8.552 2.284 1.00 0.00 O ATOM 1092 CG2 THR A 67 8.296 8.637 0.256 1.00 0.00 C ATOM 0 H THR A 67 7.894 6.344 2.360 1.00 0.00 H new ATOM 0 HA THR A 67 10.294 7.997 2.037 1.00 0.00 H new ATOM 0 HB THR A 67 8.576 9.850 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.423 9.371 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.566 9.308 -0.196 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.289 8.866 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.041 7.606 0.012 1.00 0.00 H new ATOM 1100 N SER A 68 8.473 7.794 4.789 1.00 0.00 N ATOM 1101 CA SER A 68 8.329 8.164 6.210 1.00 0.00 C ATOM 1102 C SER A 68 7.947 6.900 7.033 1.00 0.00 C ATOM 1103 O SER A 68 7.615 5.875 6.427 1.00 0.00 O ATOM 1104 CB SER A 68 7.270 9.283 6.332 1.00 0.00 C ATOM 1105 OG SER A 68 7.593 10.399 5.514 1.00 0.00 O ATOM 0 H SER A 68 7.774 7.122 4.473 1.00 0.00 H new ATOM 0 HA SER A 68 9.268 8.546 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.293 8.893 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.195 9.602 7.371 1.00 0.00 H new ATOM 0 HG SER A 68 6.903 11.088 5.613 1.00 0.00 H new ATOM 1111 N PRO A 69 8.018 6.929 8.423 1.00 0.00 N ATOM 1112 CA PRO A 69 7.618 5.778 9.284 1.00 0.00 C ATOM 1113 C PRO A 69 6.226 5.203 8.934 1.00 0.00 C ATOM 1114 O PRO A 69 5.216 5.894 9.087 1.00 0.00 O ATOM 1115 CB PRO A 69 7.636 6.378 10.714 1.00 0.00 C ATOM 1116 CG PRO A 69 8.670 7.466 10.644 1.00 0.00 C ATOM 1117 CD PRO A 69 8.538 8.060 9.256 1.00 0.00 C ATOM 0 HA PRO A 69 8.289 4.928 9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.659 6.774 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.899 5.626 11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.499 8.220 11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.671 7.067 10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.853 8.908 9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.497 8.421 8.884 1.00 0.00 H new ATOM 1125 N ALA A 70 6.219 3.952 8.407 1.00 0.00 N ATOM 1126 CA ALA A 70 4.993 3.217 8.011 1.00 0.00 C ATOM 1127 C ALA A 70 4.211 3.920 6.873 1.00 0.00 C ATOM 1128 O ALA A 70 3.051 3.617 6.632 1.00 0.00 O ATOM 1129 CB ALA A 70 4.100 2.958 9.239 1.00 0.00 C ATOM 0 H ALA A 70 7.074 3.421 8.244 1.00 0.00 H new ATOM 0 HA ALA A 70 5.310 2.256 7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.205 2.418 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.649 2.363 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.813 3.909 9.687 1.00 0.00 H new ATOM 1135 N THR A 71 4.881 4.820 6.141 1.00 0.00 N ATOM 1136 CA THR A 71 4.254 5.655 5.105 1.00 0.00 C ATOM 1137 C THR A 71 4.909 5.381 3.741 1.00 0.00 C ATOM 1138 O THR A 71 6.132 5.530 3.576 1.00 0.00 O ATOM 1139 CB THR A 71 4.362 7.160 5.488 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.841 7.360 6.810 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.598 8.064 4.512 1.00 0.00 C ATOM 0 H THR A 71 5.880 4.991 6.251 1.00 0.00 H new ATOM 0 HA THR A 71 3.196 5.401 5.032 1.00 0.00 H new ATOM 0 HB THR A 71 5.417 7.430 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.430 6.927 7.463 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.703 9.104 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.004 7.941 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.543 7.790 4.512 1.00 0.00 H new ATOM 1149 N TRP A 72 4.072 4.990 2.768 1.00 0.00 N ATOM 1150 CA TRP A 72 4.504 4.473 1.459 1.00 0.00 C ATOM 1151 C TRP A 72 3.972 5.383 0.345 1.00 0.00 C ATOM 1152 O TRP A 72 2.924 6.005 0.501 1.00 0.00 O ATOM 1153 CB TRP A 72 3.964 3.030 1.262 1.00 0.00 C ATOM 1154 CG TRP A 72 4.338 2.073 2.373 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.674 1.875 3.558 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.464 1.189 2.399 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.321 0.929 4.307 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.419 0.487 3.617 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.504 0.925 1.512 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.368 -0.474 3.956 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.446 -0.021 1.850 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.376 -0.710 3.065 1.00 0.00 C ATOM 0 H TRP A 72 3.058 5.025 2.870 1.00 0.00 H new ATOM 0 HA TRP A 72 5.593 4.456 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.878 3.068 1.180 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.341 2.638 0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.773 2.390 3.856 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.032 0.605 5.230 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.571 1.454 0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.309 -1.013 4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 8.253 -0.235 1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.133 -1.442 3.303 1.00 0.00 H new ATOM 1173 N CYS A 73 4.695 5.438 -0.780 1.00 0.00 N ATOM 1174 CA CYS A 73 4.284 6.182 -1.984 1.00 0.00 C ATOM 1175 C CYS A 73 4.357 5.256 -3.202 1.00 0.00 C ATOM 1176 O CYS A 73 5.087 4.262 -3.174 1.00 0.00 O ATOM 1177 CB CYS A 73 5.210 7.397 -2.174 1.00 0.00 C ATOM 1178 SG CYS A 73 6.955 6.959 -2.282 1.00 0.00 S ATOM 0 H CYS A 73 5.592 4.963 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 73 3.259 6.536 -1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.920 7.927 -3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.067 8.087 -1.342 1.00 0.00 H new ATOM 0 HG CYS A 73 7.203 5.964 -1.483 1.00 0.00 H new ATOM 1184 N LEU A 74 3.600 5.582 -4.259 1.00 0.00 N ATOM 1185 CA LEU A 74 3.545 4.767 -5.489 1.00 0.00 C ATOM 1186 C LEU A 74 4.796 5.004 -6.361 1.00 0.00 C ATOM 1187 O LEU A 74 5.167 6.157 -6.604 1.00 0.00 O ATOM 1188 CB LEU A 74 2.268 5.103 -6.309 1.00 0.00 C ATOM 1189 CG LEU A 74 2.084 4.306 -7.635 1.00 0.00 C ATOM 1190 CD1 LEU A 74 2.098 2.790 -7.392 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.799 4.726 -8.357 1.00 0.00 C ATOM 0 H LEU A 74 3.010 6.413 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 74 3.515 3.718 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.397 4.927 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.281 6.167 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 74 2.932 4.546 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.967 2.268 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.051 2.502 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.286 2.522 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.696 4.154 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.059 4.534 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.845 5.789 -8.593 1.00 0.00 H new ATOM 1203 N GLY A 75 5.434 3.903 -6.809 1.00 0.00 N ATOM 1204 CA GLY A 75 6.527 3.943 -7.787 1.00 0.00 C ATOM 1205 C GLY A 75 5.998 4.254 -9.179 1.00 0.00 C ATOM 1206 O GLY A 75 5.828 3.358 -10.015 1.00 0.00 O ATOM 0 H GLY A 75 5.200 2.960 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.256 4.698 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.047 2.985 -7.797 1.00 0.00 H new