USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 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 Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.158 K(o=0.16,f=-0.42) USER MOD Single : A 26 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 29 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 33 SER OG : rot 180:sc= -0.027 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 170:sc= -0.694 USER MOD Single : A 45 GLN : amide:sc= 0.608 K(o=0.61,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.033 (180deg=-0.232) USER MOD Single : A 52 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.25) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -121:sc= -0.572 (180deg=-4.68!) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= -0.0141 (180deg=-0.127) USER MOD Single : A 60 LYS NZ :NH3+ 140:sc= -1.75! (180deg=-4.18!) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0.472 (180deg=0.391) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 68 SER OG : rot 180:sc= -0.671 USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.725 USER MOD Single : A 73 CYS SG : rot -62:sc= -0.672 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -3.098 -11.571 -2.978 1.00 0.00 N ATOM 249 CA GLU A 17 -1.819 -10.828 -3.082 1.00 0.00 C ATOM 250 C GLU A 17 -1.920 -9.698 -4.121 1.00 0.00 C ATOM 251 O GLU A 17 -1.720 -8.529 -3.792 1.00 0.00 O ATOM 252 CB GLU A 17 -0.676 -11.789 -3.491 1.00 0.00 C ATOM 253 CG GLU A 17 -0.477 -12.995 -2.564 1.00 0.00 C ATOM 254 CD GLU A 17 0.465 -14.048 -3.177 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.698 -13.914 -3.049 1.00 0.00 O ATOM 256 OE2 GLU A 17 -0.034 -14.993 -3.829 1.00 0.00 O ATOM 0 HA GLU A 17 -1.606 -10.393 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.872 -12.154 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.255 -11.224 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.070 -12.656 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.443 -13.453 -2.353 1.00 0.00 H new ATOM 263 N GLY A 18 -2.259 -10.084 -5.368 1.00 0.00 N ATOM 264 CA GLY A 18 -2.363 -9.148 -6.487 1.00 0.00 C ATOM 265 C GLY A 18 -3.503 -8.135 -6.371 1.00 0.00 C ATOM 266 O GLY A 18 -3.286 -6.963 -6.600 1.00 0.00 O ATOM 0 H GLY A 18 -2.466 -11.051 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.422 -8.606 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.493 -9.717 -7.408 1.00 0.00 H new ATOM 270 N HIS A 19 -4.705 -8.583 -5.968 1.00 0.00 N ATOM 271 CA HIS A 19 -5.901 -7.696 -5.921 1.00 0.00 C ATOM 272 C HIS A 19 -5.778 -6.664 -4.783 1.00 0.00 C ATOM 273 O HIS A 19 -6.158 -5.495 -4.947 1.00 0.00 O ATOM 274 CB HIS A 19 -7.216 -8.518 -5.767 1.00 0.00 C ATOM 275 CG HIS A 19 -7.808 -8.991 -7.070 1.00 0.00 C ATOM 276 ND1 HIS A 19 -7.386 -10.124 -7.723 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.778 -8.454 -7.851 1.00 0.00 C ATOM 278 CE1 HIS A 19 -8.067 -10.264 -8.844 1.00 0.00 C ATOM 279 NE2 HIS A 19 -8.912 -9.264 -8.941 1.00 0.00 N ATOM 0 H HIS A 19 -4.883 -9.543 -5.671 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.947 -7.162 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.017 -9.384 -5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.954 -7.907 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.339 -7.554 -7.648 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.950 -11.064 -9.560 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.566 -9.116 -9.710 1.00 0.00 H new ATOM 288 N LEU A 20 -5.246 -7.118 -3.632 1.00 0.00 N ATOM 289 CA LEU A 20 -4.951 -6.252 -2.481 1.00 0.00 C ATOM 290 C LEU A 20 -3.845 -5.236 -2.850 1.00 0.00 C ATOM 291 O LEU A 20 -3.935 -4.062 -2.484 1.00 0.00 O ATOM 292 CB LEU A 20 -4.571 -7.146 -1.262 1.00 0.00 C ATOM 293 CG LEU A 20 -4.315 -6.479 0.133 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.842 -6.033 0.323 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.298 -5.311 0.365 1.00 0.00 C ATOM 0 H LEU A 20 -5.009 -8.098 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.828 -5.667 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.368 -7.878 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.671 -7.699 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.499 -7.239 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.724 -5.578 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.186 -6.900 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.579 -5.307 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.105 -4.861 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.163 -4.561 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.321 -5.685 0.335 1.00 0.00 H new ATOM 307 N GLU A 21 -2.837 -5.711 -3.597 1.00 0.00 N ATOM 308 CA GLU A 21 -1.753 -4.878 -4.160 1.00 0.00 C ATOM 309 C GLU A 21 -2.310 -3.777 -5.075 1.00 0.00 C ATOM 310 O GLU A 21 -1.941 -2.604 -4.947 1.00 0.00 O ATOM 311 CB GLU A 21 -0.794 -5.782 -4.959 1.00 0.00 C ATOM 312 CG GLU A 21 0.229 -5.053 -5.843 1.00 0.00 C ATOM 313 CD GLU A 21 1.030 -6.030 -6.693 1.00 0.00 C ATOM 314 OE1 GLU A 21 2.002 -6.625 -6.181 1.00 0.00 O ATOM 315 OE2 GLU A 21 0.680 -6.242 -7.869 1.00 0.00 O ATOM 0 H GLU A 21 -2.747 -6.699 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.223 -4.393 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.253 -6.416 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.388 -6.441 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.288 -4.345 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.907 -4.475 -5.215 1.00 0.00 H new ATOM 322 N GLN A 22 -3.219 -4.178 -5.983 1.00 0.00 N ATOM 323 CA GLN A 22 -3.872 -3.260 -6.925 1.00 0.00 C ATOM 324 C GLN A 22 -4.688 -2.211 -6.157 1.00 0.00 C ATOM 325 O GLN A 22 -4.736 -1.050 -6.562 1.00 0.00 O ATOM 326 CB GLN A 22 -4.791 -4.017 -7.943 1.00 0.00 C ATOM 327 CG GLN A 22 -4.136 -4.413 -9.293 1.00 0.00 C ATOM 328 CD GLN A 22 -3.104 -5.537 -9.212 1.00 0.00 C ATOM 329 OE1 GLN A 22 -3.432 -6.716 -9.385 1.00 0.00 O ATOM 330 NE2 GLN A 22 -1.860 -5.184 -8.927 1.00 0.00 N ATOM 0 H GLN A 22 -3.519 -5.148 -6.081 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.088 -2.765 -7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.161 -4.923 -7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.658 -3.391 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.922 -4.713 -9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.656 -3.531 -9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.627 -4.200 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.134 -5.896 -8.843 1.00 0.00 H new ATOM 339 N ARG A 23 -5.324 -2.623 -5.038 1.00 0.00 N ATOM 340 CA ARG A 23 -6.109 -1.721 -4.183 1.00 0.00 C ATOM 341 C ARG A 23 -5.195 -0.688 -3.479 1.00 0.00 C ATOM 342 O ARG A 23 -5.550 0.486 -3.401 1.00 0.00 O ATOM 343 CB ARG A 23 -6.911 -2.564 -3.147 1.00 0.00 C ATOM 344 CG ARG A 23 -7.788 -1.750 -2.169 1.00 0.00 C ATOM 345 CD ARG A 23 -8.864 -0.898 -2.870 1.00 0.00 C ATOM 346 NE ARG A 23 -9.707 -0.148 -1.913 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.851 -0.598 -1.359 1.00 0.00 C ATOM 348 NH1 ARG A 23 -11.326 -1.806 -1.646 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.513 0.175 -0.524 1.00 0.00 N ATOM 0 H ARG A 23 -5.305 -3.588 -4.708 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.810 -1.160 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.551 -3.261 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.207 -3.161 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.274 -2.435 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.147 -1.096 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.381 -0.197 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.497 -1.546 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.397 0.788 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.823 -2.411 -2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.193 -2.128 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.160 1.106 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.379 -0.157 -0.100 1.00 0.00 H new ATOM 363 N ILE A 24 -4.019 -1.136 -2.986 1.00 0.00 N ATOM 364 CA ILE A 24 -3.019 -0.243 -2.361 1.00 0.00 C ATOM 365 C ILE A 24 -2.546 0.825 -3.369 1.00 0.00 C ATOM 366 O ILE A 24 -2.628 2.024 -3.086 1.00 0.00 O ATOM 367 CB ILE A 24 -1.758 -1.017 -1.820 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.146 -2.092 -0.760 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.716 -0.028 -1.234 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.989 -2.973 -0.308 1.00 0.00 C ATOM 0 H ILE A 24 -3.739 -2.116 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.519 0.224 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.310 -1.537 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.567 -1.591 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.930 -2.726 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.146 -0.584 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.396 0.666 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.166 0.530 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.346 -3.692 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.580 -3.506 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.212 -2.352 0.138 1.00 0.00 H new ATOM 382 N LEU A 25 -2.096 0.368 -4.562 1.00 0.00 N ATOM 383 CA LEU A 25 -1.575 1.249 -5.630 1.00 0.00 C ATOM 384 C LEU A 25 -2.648 2.233 -6.105 1.00 0.00 C ATOM 385 O LEU A 25 -2.334 3.359 -6.481 1.00 0.00 O ATOM 386 CB LEU A 25 -1.072 0.388 -6.828 1.00 0.00 C ATOM 387 CG LEU A 25 0.161 -0.519 -6.539 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.438 -1.501 -7.695 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.403 0.331 -6.229 1.00 0.00 C ATOM 0 H LEU A 25 -2.085 -0.622 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.743 1.825 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.893 -0.244 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.823 1.056 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.075 -1.117 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.306 -2.114 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.430 -2.143 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.634 -0.941 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.252 -0.324 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.629 0.970 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.210 0.951 -5.353 1.00 0.00 H new ATOM 401 N GLN A 26 -3.911 1.776 -6.069 1.00 0.00 N ATOM 402 CA GLN A 26 -5.091 2.575 -6.419 1.00 0.00 C ATOM 403 C GLN A 26 -5.238 3.755 -5.435 1.00 0.00 C ATOM 404 O GLN A 26 -5.316 4.910 -5.855 1.00 0.00 O ATOM 405 CB GLN A 26 -6.348 1.660 -6.367 1.00 0.00 C ATOM 406 CG GLN A 26 -7.644 2.253 -6.946 1.00 0.00 C ATOM 407 CD GLN A 26 -8.905 1.423 -6.626 1.00 0.00 C ATOM 408 OE1 GLN A 26 -9.999 1.965 -6.502 1.00 0.00 O ATOM 409 NE2 GLN A 26 -8.774 0.104 -6.507 1.00 0.00 N ATOM 0 H GLN A 26 -4.142 0.822 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.981 2.982 -7.424 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.123 0.738 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.530 1.387 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.776 3.263 -6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.542 2.339 -8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.857 -0.329 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.591 -0.474 -6.310 1.00 0.00 H new ATOM 418 N VAL A 27 -5.222 3.432 -4.121 1.00 0.00 N ATOM 419 CA VAL A 27 -5.316 4.422 -3.025 1.00 0.00 C ATOM 420 C VAL A 27 -4.169 5.453 -3.124 1.00 0.00 C ATOM 421 O VAL A 27 -4.392 6.663 -2.965 1.00 0.00 O ATOM 422 CB VAL A 27 -5.287 3.714 -1.607 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.238 4.741 -0.445 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.492 2.758 -1.430 1.00 0.00 C ATOM 0 H VAL A 27 -5.143 2.470 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.269 4.941 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.370 3.125 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.219 4.212 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.341 5.353 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.119 5.381 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.443 2.288 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.420 3.323 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.463 1.989 -2.202 1.00 0.00 H new ATOM 434 N LEU A 28 -2.956 4.955 -3.432 1.00 0.00 N ATOM 435 CA LEU A 28 -1.740 5.784 -3.524 1.00 0.00 C ATOM 436 C LEU A 28 -1.778 6.717 -4.750 1.00 0.00 C ATOM 437 O LEU A 28 -1.270 7.838 -4.678 1.00 0.00 O ATOM 438 CB LEU A 28 -0.473 4.888 -3.569 1.00 0.00 C ATOM 439 CG LEU A 28 -0.205 4.017 -2.299 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.027 3.123 -2.501 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.057 4.882 -1.030 1.00 0.00 C ATOM 0 H LEU A 28 -2.792 3.967 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.701 6.409 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.552 4.225 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.394 5.527 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.075 3.376 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.194 2.526 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.861 2.462 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.901 3.746 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.128 4.238 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.779 5.570 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.973 5.449 -0.868 1.00 0.00 H new ATOM 453 N THR A 29 -2.353 6.241 -5.875 1.00 0.00 N ATOM 454 CA THR A 29 -2.505 7.039 -7.111 1.00 0.00 C ATOM 455 C THR A 29 -3.553 8.157 -6.947 1.00 0.00 C ATOM 456 O THR A 29 -3.311 9.307 -7.342 1.00 0.00 O ATOM 457 CB THR A 29 -2.883 6.118 -8.332 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.862 5.118 -8.525 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.054 6.912 -9.647 1.00 0.00 C ATOM 0 H THR A 29 -2.724 5.294 -5.952 1.00 0.00 H new ATOM 0 HA THR A 29 -1.542 7.509 -7.308 1.00 0.00 H new ATOM 0 HB THR A 29 -3.840 5.655 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.029 4.361 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.314 6.227 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.848 7.649 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.121 7.421 -9.889 1.00 0.00 H new ATOM 467 N GLU A 30 -4.710 7.816 -6.349 1.00 0.00 N ATOM 468 CA GLU A 30 -5.843 8.751 -6.200 1.00 0.00 C ATOM 469 C GLU A 30 -5.540 9.832 -5.157 1.00 0.00 C ATOM 470 O GLU A 30 -5.992 10.970 -5.293 1.00 0.00 O ATOM 471 CB GLU A 30 -7.139 7.971 -5.854 1.00 0.00 C ATOM 472 CG GLU A 30 -7.534 6.944 -6.934 1.00 0.00 C ATOM 473 CD GLU A 30 -8.786 6.136 -6.578 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.704 5.246 -5.712 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.865 6.406 -7.143 1.00 0.00 O ATOM 0 H GLU A 30 -4.886 6.891 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.997 9.261 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.003 7.455 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.957 8.679 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.703 7.466 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.702 6.258 -7.094 1.00 0.00 H new ATOM 482 N ALA A 31 -4.774 9.467 -4.117 1.00 0.00 N ATOM 483 CA ALA A 31 -4.208 10.446 -3.177 1.00 0.00 C ATOM 484 C ALA A 31 -3.084 11.235 -3.862 1.00 0.00 C ATOM 485 O ALA A 31 -2.978 12.454 -3.703 1.00 0.00 O ATOM 486 CB ALA A 31 -3.688 9.745 -1.908 1.00 0.00 C ATOM 0 H ALA A 31 -4.532 8.499 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.993 11.141 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.273 10.487 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.510 9.222 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.912 9.029 -2.180 1.00 0.00 H new ATOM 492 N GLY A 32 -2.265 10.509 -4.650 1.00 0.00 N ATOM 493 CA GLY A 32 -1.084 11.078 -5.309 1.00 0.00 C ATOM 494 C GLY A 32 -0.054 11.606 -4.315 1.00 0.00 C ATOM 495 O GLY A 32 0.736 12.499 -4.636 1.00 0.00 O ATOM 0 H GLY A 32 -2.407 9.518 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.621 10.317 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.396 11.888 -5.968 1.00 0.00 H new ATOM 499 N SER A 33 -0.069 11.021 -3.114 1.00 0.00 N ATOM 500 CA SER A 33 0.702 11.490 -1.957 1.00 0.00 C ATOM 501 C SER A 33 1.001 10.290 -1.031 1.00 0.00 C ATOM 502 O SER A 33 0.232 9.317 -1.032 1.00 0.00 O ATOM 503 CB SER A 33 -0.109 12.591 -1.210 1.00 0.00 C ATOM 504 OG SER A 33 0.620 13.139 -0.119 1.00 0.00 O ATOM 0 H SER A 33 -0.628 10.192 -2.914 1.00 0.00 H new ATOM 0 HA SER A 33 1.649 11.923 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.370 13.386 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.045 12.168 -0.845 1.00 0.00 H new ATOM 0 HG SER A 33 0.080 13.827 0.323 1.00 0.00 H new ATOM 510 N PRO A 34 2.144 10.309 -0.270 1.00 0.00 N ATOM 511 CA PRO A 34 2.442 9.277 0.754 1.00 0.00 C ATOM 512 C PRO A 34 1.278 9.048 1.751 1.00 0.00 C ATOM 513 O PRO A 34 0.776 9.999 2.365 1.00 0.00 O ATOM 514 CB PRO A 34 3.699 9.837 1.466 1.00 0.00 C ATOM 515 CG PRO A 34 4.376 10.671 0.420 1.00 0.00 C ATOM 516 CD PRO A 34 3.257 11.294 -0.385 1.00 0.00 C ATOM 0 HA PRO A 34 2.594 8.294 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.430 10.433 2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.348 9.035 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.006 11.436 0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.022 10.061 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.972 12.268 0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.549 11.448 -1.424 1.00 0.00 H new ATOM 524 N VAL A 35 0.837 7.780 1.868 1.00 0.00 N ATOM 525 CA VAL A 35 -0.267 7.365 2.757 1.00 0.00 C ATOM 526 C VAL A 35 0.297 6.416 3.825 1.00 0.00 C ATOM 527 O VAL A 35 1.049 5.491 3.496 1.00 0.00 O ATOM 528 CB VAL A 35 -1.425 6.644 1.953 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.590 6.228 2.880 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.941 7.527 0.791 1.00 0.00 C ATOM 0 H VAL A 35 1.242 7.006 1.342 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.697 8.253 3.221 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.999 5.737 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.365 5.737 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.221 5.541 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.006 7.113 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.735 7.002 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.329 8.464 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.122 7.738 0.103 1.00 0.00 H new ATOM 540 N LYS A 36 -0.063 6.661 5.100 1.00 0.00 N ATOM 541 CA LYS A 36 0.359 5.822 6.243 1.00 0.00 C ATOM 542 C LYS A 36 -0.216 4.400 6.131 1.00 0.00 C ATOM 543 O LYS A 36 -1.283 4.222 5.547 1.00 0.00 O ATOM 544 CB LYS A 36 -0.103 6.493 7.567 1.00 0.00 C ATOM 545 CG LYS A 36 0.487 7.903 7.787 1.00 0.00 C ATOM 546 CD LYS A 36 -0.020 8.598 9.073 1.00 0.00 C ATOM 547 CE LYS A 36 0.357 7.846 10.353 1.00 0.00 C ATOM 548 NZ LYS A 36 0.118 8.667 11.575 1.00 0.00 N ATOM 0 H LYS A 36 -0.655 7.447 5.369 1.00 0.00 H new ATOM 0 HA LYS A 36 1.446 5.738 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.191 6.560 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.180 5.856 8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.574 7.830 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.243 8.527 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.389 9.607 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.104 8.695 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.222 6.925 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.408 7.559 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.386 8.121 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.690 9.534 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.889 8.919 11.632 1.00 0.00 H new ATOM 562 N LEU A 37 0.497 3.400 6.705 1.00 0.00 N ATOM 563 CA LEU A 37 0.022 2.004 6.739 1.00 0.00 C ATOM 564 C LEU A 37 -1.285 1.917 7.542 1.00 0.00 C ATOM 565 O LEU A 37 -2.261 1.341 7.066 1.00 0.00 O ATOM 566 CB LEU A 37 1.092 1.044 7.343 1.00 0.00 C ATOM 567 CG LEU A 37 0.624 -0.438 7.580 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.180 -1.125 6.271 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.707 -1.268 8.304 1.00 0.00 C ATOM 0 H LEU A 37 1.404 3.540 7.150 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.160 1.687 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.957 1.031 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.427 1.456 8.295 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.249 -0.389 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.134 -2.147 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.652 -0.573 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.013 -1.141 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.348 -2.287 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.615 -1.287 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.924 -0.817 9.272 1.00 0.00 H new ATOM 581 N ALA A 38 -1.270 2.497 8.763 1.00 0.00 N ATOM 582 CA ALA A 38 -2.474 2.689 9.603 1.00 0.00 C ATOM 583 C ALA A 38 -3.669 3.282 8.815 1.00 0.00 C ATOM 584 O ALA A 38 -4.822 2.881 9.028 1.00 0.00 O ATOM 585 CB ALA A 38 -2.145 3.585 10.803 1.00 0.00 C ATOM 0 H ALA A 38 -0.416 2.848 9.196 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.777 1.701 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.038 3.719 11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.363 3.118 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.799 4.556 10.448 1.00 0.00 H new ATOM 591 N GLN A 39 -3.385 4.218 7.887 1.00 0.00 N ATOM 592 CA GLN A 39 -4.414 4.881 7.067 1.00 0.00 C ATOM 593 C GLN A 39 -4.871 3.959 5.920 1.00 0.00 C ATOM 594 O GLN A 39 -6.051 3.937 5.569 1.00 0.00 O ATOM 595 CB GLN A 39 -3.836 6.212 6.522 1.00 0.00 C ATOM 596 CG GLN A 39 -4.829 7.094 5.748 1.00 0.00 C ATOM 597 CD GLN A 39 -4.273 8.485 5.412 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.062 8.670 5.240 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.149 9.474 5.316 1.00 0.00 N ATOM 0 H GLN A 39 -2.436 4.534 7.687 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.291 5.096 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.442 6.787 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.994 5.982 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.108 6.589 4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.739 7.207 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.142 9.292 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.831 10.418 5.095 1.00 0.00 H new ATOM 608 N LEU A 40 -3.926 3.160 5.383 1.00 0.00 N ATOM 609 CA LEU A 40 -4.198 2.175 4.316 1.00 0.00 C ATOM 610 C LEU A 40 -5.185 1.098 4.804 1.00 0.00 C ATOM 611 O LEU A 40 -5.928 0.547 3.998 1.00 0.00 O ATOM 612 CB LEU A 40 -2.873 1.512 3.815 1.00 0.00 C ATOM 613 CG LEU A 40 -1.942 2.403 2.923 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.543 1.762 2.745 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.604 2.686 1.552 1.00 0.00 C ATOM 0 H LEU A 40 -2.950 3.180 5.678 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.652 2.706 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.303 1.187 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.131 0.616 3.251 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.801 3.354 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.076 2.407 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.072 1.640 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.647 0.787 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.941 3.306 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.789 1.744 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.549 3.208 1.705 1.00 0.00 H new ATOM 627 N VAL A 41 -5.159 0.795 6.119 1.00 0.00 N ATOM 628 CA VAL A 41 -6.077 -0.187 6.749 1.00 0.00 C ATOM 629 C VAL A 41 -7.557 0.164 6.485 1.00 0.00 C ATOM 630 O VAL A 41 -8.329 -0.683 6.003 1.00 0.00 O ATOM 631 CB VAL A 41 -5.813 -0.319 8.302 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.669 -1.440 8.931 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.316 -0.547 8.602 1.00 0.00 C ATOM 0 H VAL A 41 -4.504 1.221 6.775 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.869 -1.151 6.285 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.110 0.626 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.461 -1.501 9.999 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.726 -1.219 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.426 -2.392 8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.170 -0.633 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.983 -1.464 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.737 0.295 8.224 1.00 0.00 H new ATOM 643 N LYS A 42 -7.929 1.430 6.765 1.00 0.00 N ATOM 644 CA LYS A 42 -9.311 1.901 6.561 1.00 0.00 C ATOM 645 C LYS A 42 -9.620 2.159 5.069 1.00 0.00 C ATOM 646 O LYS A 42 -10.698 1.767 4.600 1.00 0.00 O ATOM 647 CB LYS A 42 -9.635 3.156 7.427 1.00 0.00 C ATOM 648 CG LYS A 42 -8.737 4.385 7.170 1.00 0.00 C ATOM 649 CD LYS A 42 -9.214 5.655 7.919 1.00 0.00 C ATOM 650 CE LYS A 42 -9.189 5.515 9.448 1.00 0.00 C ATOM 651 NZ LYS A 42 -9.576 6.783 10.130 1.00 0.00 N ATOM 0 H LYS A 42 -7.294 2.140 7.131 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.965 1.096 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.672 3.441 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.555 2.882 8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.717 4.152 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.710 4.590 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.583 6.495 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.229 5.894 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.869 4.718 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.190 5.221 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.546 6.646 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.913 7.538 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.539 7.051 9.844 1.00 0.00 H new ATOM 665 N GLU A 43 -8.688 2.808 4.321 1.00 0.00 N ATOM 666 CA GLU A 43 -8.887 3.114 2.882 1.00 0.00 C ATOM 667 C GLU A 43 -9.103 1.846 2.049 1.00 0.00 C ATOM 668 O GLU A 43 -10.150 1.687 1.422 1.00 0.00 O ATOM 669 CB GLU A 43 -7.678 3.916 2.319 1.00 0.00 C ATOM 670 CG GLU A 43 -7.410 5.260 3.023 1.00 0.00 C ATOM 671 CD GLU A 43 -8.647 6.169 3.111 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.001 6.808 2.105 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.268 6.257 4.192 1.00 0.00 O ATOM 0 H GLU A 43 -7.793 3.128 4.692 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.789 3.721 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.783 3.298 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.847 4.105 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.041 5.065 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.619 5.788 2.490 1.00 0.00 H new ATOM 680 N CYS A 44 -8.143 0.915 2.120 1.00 0.00 N ATOM 681 CA CYS A 44 -8.184 -0.334 1.343 1.00 0.00 C ATOM 682 C CYS A 44 -9.242 -1.312 1.894 1.00 0.00 C ATOM 683 O CYS A 44 -9.510 -2.340 1.259 1.00 0.00 O ATOM 684 CB CYS A 44 -6.785 -0.999 1.347 1.00 0.00 C ATOM 685 SG CYS A 44 -5.458 0.053 0.715 1.00 0.00 S ATOM 0 H CYS A 44 -7.319 1.004 2.714 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.467 -0.087 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.541 -1.298 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.827 -1.909 0.749 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.309 -0.506 0.956 1.00 0.00 H new ATOM 691 N GLN A 45 -9.836 -0.975 3.081 1.00 0.00 N ATOM 692 CA GLN A 45 -10.842 -1.811 3.790 1.00 0.00 C ATOM 693 C GLN A 45 -10.243 -3.172 4.195 1.00 0.00 C ATOM 694 O GLN A 45 -10.965 -4.146 4.470 1.00 0.00 O ATOM 695 CB GLN A 45 -12.118 -1.989 2.916 1.00 0.00 C ATOM 696 CG GLN A 45 -12.962 -0.713 2.739 1.00 0.00 C ATOM 697 CD GLN A 45 -14.174 -0.930 1.825 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.103 -0.713 0.614 1.00 0.00 O ATOM 699 NE2 GLN A 45 -15.274 -1.383 2.398 1.00 0.00 N ATOM 0 H GLN A 45 -9.623 -0.106 3.571 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.132 -1.296 4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.820 -2.350 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.743 -2.762 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.305 -0.370 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.336 0.078 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.293 -1.550 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.104 -1.566 1.835 1.00 0.00 H new ATOM 708 N ALA A 46 -8.914 -3.193 4.297 1.00 0.00 N ATOM 709 CA ALA A 46 -8.122 -4.422 4.342 1.00 0.00 C ATOM 710 C ALA A 46 -7.249 -4.465 5.602 1.00 0.00 C ATOM 711 O ALA A 46 -6.837 -3.413 6.102 1.00 0.00 O ATOM 712 CB ALA A 46 -7.266 -4.510 3.076 1.00 0.00 C ATOM 0 H ALA A 46 -8.350 -2.345 4.351 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.791 -5.282 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.672 -5.424 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.913 -4.522 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.602 -3.647 3.025 1.00 0.00 H new ATOM 718 N PRO A 47 -6.968 -5.684 6.146 1.00 0.00 N ATOM 719 CA PRO A 47 -6.178 -5.837 7.377 1.00 0.00 C ATOM 720 C PRO A 47 -4.706 -5.416 7.169 1.00 0.00 C ATOM 721 O PRO A 47 -4.075 -5.774 6.163 1.00 0.00 O ATOM 722 CB PRO A 47 -6.311 -7.343 7.718 1.00 0.00 C ATOM 723 CG PRO A 47 -6.622 -8.009 6.417 1.00 0.00 C ATOM 724 CD PRO A 47 -7.398 -7.001 5.604 1.00 0.00 C ATOM 0 HA PRO A 47 -6.532 -5.197 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.389 -7.733 8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.102 -7.514 8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.708 -8.304 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.206 -8.916 6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.171 -7.087 4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.473 -7.144 5.713 1.00 0.00 H new ATOM 732 N LYS A 48 -4.219 -4.611 8.134 1.00 0.00 N ATOM 733 CA LYS A 48 -2.817 -4.167 8.260 1.00 0.00 C ATOM 734 C LYS A 48 -1.800 -5.298 7.985 1.00 0.00 C ATOM 735 O LYS A 48 -0.750 -5.049 7.414 1.00 0.00 O ATOM 736 CB LYS A 48 -2.625 -3.609 9.687 1.00 0.00 C ATOM 737 CG LYS A 48 -1.226 -3.057 10.012 1.00 0.00 C ATOM 738 CD LYS A 48 -1.140 -2.548 11.468 1.00 0.00 C ATOM 739 CE LYS A 48 0.288 -2.217 11.904 1.00 0.00 C ATOM 740 NZ LYS A 48 1.187 -3.400 11.864 1.00 0.00 N ATOM 0 H LYS A 48 -4.814 -4.239 8.874 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.626 -3.402 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.354 -2.814 9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.856 -4.401 10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.481 -3.837 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.987 -2.244 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.761 -1.658 11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.551 -3.305 12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.690 -1.438 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.270 -1.813 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.055 -3.194 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.704 -4.217 12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.431 -3.617 10.877 1.00 0.00 H new ATOM 754 N ARG A 49 -2.149 -6.525 8.405 1.00 0.00 N ATOM 755 CA ARG A 49 -1.349 -7.751 8.165 1.00 0.00 C ATOM 756 C ARG A 49 -1.041 -7.964 6.663 1.00 0.00 C ATOM 757 O ARG A 49 0.130 -8.056 6.259 1.00 0.00 O ATOM 758 CB ARG A 49 -2.117 -8.987 8.688 1.00 0.00 C ATOM 759 CG ARG A 49 -1.324 -10.313 8.637 1.00 0.00 C ATOM 760 CD ARG A 49 -2.224 -11.550 8.804 1.00 0.00 C ATOM 761 NE ARG A 49 -3.097 -11.465 9.993 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.441 -11.365 9.968 1.00 0.00 C ATOM 763 NH1 ARG A 49 -5.102 -11.343 8.808 1.00 0.00 N ATOM 764 NH2 ARG A 49 -5.111 -11.288 11.110 1.00 0.00 N ATOM 0 H ARG A 49 -3.006 -6.702 8.929 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.405 -7.626 8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.419 -8.800 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.030 -9.104 8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.795 -10.379 7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.568 -10.310 9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.841 -11.668 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.600 -12.440 8.880 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.646 -11.484 10.908 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.590 -11.402 7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.119 -11.267 8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.609 -11.305 11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.128 -11.212 11.100 1.00 0.00 H new ATOM 778 N GLU A 50 -2.121 -8.021 5.865 1.00 0.00 N ATOM 779 CA GLU A 50 -2.048 -8.286 4.416 1.00 0.00 C ATOM 780 C GLU A 50 -1.364 -7.133 3.686 1.00 0.00 C ATOM 781 O GLU A 50 -0.504 -7.369 2.830 1.00 0.00 O ATOM 782 CB GLU A 50 -3.471 -8.538 3.846 1.00 0.00 C ATOM 783 CG GLU A 50 -3.896 -10.016 3.848 1.00 0.00 C ATOM 784 CD GLU A 50 -3.770 -10.714 5.223 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.700 -10.613 6.041 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.751 -11.393 5.476 1.00 0.00 O ATOM 0 H GLU A 50 -3.072 -7.884 6.207 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.448 -9.182 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.191 -7.963 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.514 -8.160 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.931 -10.085 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.289 -10.557 3.122 1.00 0.00 H new ATOM 793 N LEU A 51 -1.753 -5.895 4.043 1.00 0.00 N ATOM 794 CA LEU A 51 -1.152 -4.665 3.496 1.00 0.00 C ATOM 795 C LEU A 51 0.369 -4.654 3.703 1.00 0.00 C ATOM 796 O LEU A 51 1.104 -4.648 2.739 1.00 0.00 O ATOM 797 CB LEU A 51 -1.774 -3.430 4.186 1.00 0.00 C ATOM 798 CG LEU A 51 -3.301 -3.239 3.984 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.841 -2.191 4.955 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.632 -2.858 2.529 1.00 0.00 C ATOM 0 H LEU A 51 -2.495 -5.719 4.721 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.355 -4.634 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.574 -3.496 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.264 -2.538 3.821 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.789 -4.191 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.913 -2.069 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.657 -2.515 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.339 -1.240 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.709 -2.732 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.130 -1.925 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.291 -3.648 1.860 1.00 0.00 H new ATOM 812 N ASN A 52 0.789 -4.721 4.986 1.00 0.00 N ATOM 813 CA ASN A 52 2.206 -4.716 5.425 1.00 0.00 C ATOM 814 C ASN A 52 3.062 -5.719 4.630 1.00 0.00 C ATOM 815 O ASN A 52 4.054 -5.334 3.998 1.00 0.00 O ATOM 816 CB ASN A 52 2.262 -5.052 6.946 1.00 0.00 C ATOM 817 CG ASN A 52 3.678 -5.139 7.523 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.305 -6.195 7.501 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.184 -4.048 8.066 1.00 0.00 N ATOM 0 H ASN A 52 0.136 -4.782 5.767 1.00 0.00 H new ATOM 0 HA ASN A 52 2.620 -3.725 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.705 -4.292 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.755 -6.002 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.116 -4.069 8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.643 -3.183 8.072 1.00 0.00 H new ATOM 826 N GLN A 53 2.633 -7.001 4.649 1.00 0.00 N ATOM 827 CA GLN A 53 3.346 -8.114 3.995 1.00 0.00 C ATOM 828 C GLN A 53 3.547 -7.867 2.482 1.00 0.00 C ATOM 829 O GLN A 53 4.681 -7.915 1.984 1.00 0.00 O ATOM 830 CB GLN A 53 2.581 -9.448 4.232 1.00 0.00 C ATOM 831 CG GLN A 53 3.322 -10.696 3.729 1.00 0.00 C ATOM 832 CD GLN A 53 2.588 -11.999 4.046 1.00 0.00 C ATOM 833 OE1 GLN A 53 1.795 -12.483 3.246 1.00 0.00 O ATOM 834 NE2 GLN A 53 2.826 -12.555 5.230 1.00 0.00 N ATOM 0 H GLN A 53 1.777 -7.291 5.122 1.00 0.00 H new ATOM 0 HA GLN A 53 4.337 -8.181 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.388 -9.559 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.611 -9.391 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.462 -10.618 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.315 -10.727 4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.493 -12.125 5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.342 -13.412 5.498 1.00 0.00 H new ATOM 843 N VAL A 54 2.443 -7.557 1.775 1.00 0.00 N ATOM 844 CA VAL A 54 2.460 -7.354 0.314 1.00 0.00 C ATOM 845 C VAL A 54 3.271 -6.083 -0.040 1.00 0.00 C ATOM 846 O VAL A 54 4.006 -6.083 -1.020 1.00 0.00 O ATOM 847 CB VAL A 54 0.997 -7.282 -0.276 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.991 -6.976 -1.791 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.214 -8.589 0.017 1.00 0.00 C ATOM 0 H VAL A 54 1.522 -7.441 2.197 1.00 0.00 H new ATOM 0 HA VAL A 54 2.949 -8.214 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 54 0.496 -6.454 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.037 -6.937 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.475 -6.016 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.531 -7.759 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.790 -8.513 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.732 -9.433 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.149 -8.740 1.094 1.00 0.00 H new ATOM 859 N LEU A 55 3.143 -5.028 0.793 1.00 0.00 N ATOM 860 CA LEU A 55 3.874 -3.745 0.649 1.00 0.00 C ATOM 861 C LEU A 55 5.400 -3.898 0.560 1.00 0.00 C ATOM 862 O LEU A 55 6.014 -3.186 -0.229 1.00 0.00 O ATOM 863 CB LEU A 55 3.506 -2.765 1.814 1.00 0.00 C ATOM 864 CG LEU A 55 2.207 -1.926 1.609 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.750 -1.280 2.929 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.412 -0.863 0.509 1.00 0.00 C ATOM 0 H LEU A 55 2.518 -5.042 1.599 1.00 0.00 H new ATOM 0 HA LEU A 55 3.550 -3.332 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.401 -3.344 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.340 -2.079 1.964 1.00 0.00 H new ATOM 0 HG LEU A 55 1.416 -2.601 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.843 -0.701 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.549 -2.059 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.534 -0.622 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.494 -0.289 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.222 -0.193 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.665 -1.355 -0.430 1.00 0.00 H new ATOM 878 N TYR A 56 6.026 -4.799 1.354 1.00 0.00 N ATOM 879 CA TYR A 56 7.492 -5.009 1.281 1.00 0.00 C ATOM 880 C TYR A 56 7.890 -5.739 -0.014 1.00 0.00 C ATOM 881 O TYR A 56 9.037 -5.613 -0.472 1.00 0.00 O ATOM 882 CB TYR A 56 8.015 -5.786 2.517 1.00 0.00 C ATOM 883 CG TYR A 56 7.923 -5.001 3.835 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.770 -3.915 4.091 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.001 -5.343 4.822 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.690 -3.205 5.276 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.919 -4.633 6.007 1.00 0.00 C ATOM 888 CZ TYR A 56 7.765 -3.570 6.232 1.00 0.00 C ATOM 889 OH TYR A 56 7.686 -2.866 7.417 1.00 0.00 O ATOM 0 H TYR A 56 5.549 -5.383 2.041 1.00 0.00 H new ATOM 0 HA TYR A 56 7.957 -4.023 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.449 -6.712 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.054 -6.065 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.500 -3.626 3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.337 -6.179 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.349 -2.368 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.192 -4.912 6.755 1.00 0.00 H new ATOM 0 HH TYR A 56 6.982 -3.251 7.980 1.00 0.00 H new ATOM 899 N ARG A 57 6.943 -6.501 -0.600 1.00 0.00 N ATOM 900 CA ARG A 57 7.140 -7.143 -1.907 1.00 0.00 C ATOM 901 C ARG A 57 7.067 -6.073 -3.009 1.00 0.00 C ATOM 902 O ARG A 57 7.952 -5.997 -3.858 1.00 0.00 O ATOM 903 CB ARG A 57 6.070 -8.244 -2.152 1.00 0.00 C ATOM 904 CG ARG A 57 6.271 -9.046 -3.456 1.00 0.00 C ATOM 905 CD ARG A 57 5.108 -10.010 -3.751 1.00 0.00 C ATOM 906 NE ARG A 57 3.843 -9.291 -4.022 1.00 0.00 N ATOM 907 CZ ARG A 57 2.689 -9.870 -4.396 1.00 0.00 C ATOM 908 NH1 ARG A 57 2.600 -11.191 -4.555 1.00 0.00 N ATOM 909 NH2 ARG A 57 1.624 -9.112 -4.649 1.00 0.00 N ATOM 0 H ARG A 57 6.031 -6.684 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 57 8.119 -7.621 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.077 -8.935 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.085 -7.778 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.382 -8.353 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.199 -9.614 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.362 -10.632 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.969 -10.680 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 57 3.847 -8.276 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.416 -11.780 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.716 -11.612 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.687 -8.098 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.745 -9.545 -4.933 1.00 0.00 H new ATOM 923 N MET A 58 6.010 -5.230 -2.951 1.00 0.00 N ATOM 924 CA MET A 58 5.763 -4.125 -3.904 1.00 0.00 C ATOM 925 C MET A 58 6.904 -3.106 -3.888 1.00 0.00 C ATOM 926 O MET A 58 7.271 -2.560 -4.919 1.00 0.00 O ATOM 927 CB MET A 58 4.421 -3.432 -3.539 1.00 0.00 C ATOM 928 CG MET A 58 3.200 -4.363 -3.549 1.00 0.00 C ATOM 929 SD MET A 58 1.798 -3.709 -2.616 1.00 0.00 S ATOM 930 CE MET A 58 1.352 -2.273 -3.580 1.00 0.00 C ATOM 0 H MET A 58 5.294 -5.300 -2.228 1.00 0.00 H new ATOM 0 HA MET A 58 5.707 -4.539 -4.911 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.514 -2.987 -2.549 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.246 -2.616 -4.240 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.892 -4.537 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.485 -5.330 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.419 -1.381 -2.957 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.033 -2.177 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.332 -2.384 -3.947 1.00 0.00 H new ATOM 940 N LYS A 59 7.438 -2.858 -2.688 1.00 0.00 N ATOM 941 CA LYS A 59 8.602 -1.991 -2.460 1.00 0.00 C ATOM 942 C LYS A 59 9.818 -2.502 -3.245 1.00 0.00 C ATOM 943 O LYS A 59 10.502 -1.734 -3.935 1.00 0.00 O ATOM 944 CB LYS A 59 8.909 -1.961 -0.940 1.00 0.00 C ATOM 945 CG LYS A 59 9.999 -0.965 -0.518 1.00 0.00 C ATOM 946 CD LYS A 59 10.357 -1.073 0.981 1.00 0.00 C ATOM 947 CE LYS A 59 11.440 -0.073 1.393 1.00 0.00 C ATOM 948 NZ LYS A 59 12.699 -0.235 0.619 1.00 0.00 N ATOM 0 H LYS A 59 7.066 -3.262 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 59 8.381 -0.983 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.991 -1.721 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.210 -2.960 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.895 -1.138 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.663 0.049 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.462 -0.903 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.698 -2.085 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.063 0.941 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.654 -0.193 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.443 0.359 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.996 -1.231 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.540 0.054 -0.367 1.00 0.00 H new ATOM 962 N LYS A 60 10.030 -3.819 -3.150 1.00 0.00 N ATOM 963 CA LYS A 60 11.130 -4.523 -3.812 1.00 0.00 C ATOM 964 C LYS A 60 10.885 -4.630 -5.341 1.00 0.00 C ATOM 965 O LYS A 60 11.838 -4.717 -6.121 1.00 0.00 O ATOM 966 CB LYS A 60 11.267 -5.917 -3.147 1.00 0.00 C ATOM 967 CG LYS A 60 12.567 -6.684 -3.464 1.00 0.00 C ATOM 968 CD LYS A 60 12.715 -8.007 -2.657 1.00 0.00 C ATOM 969 CE LYS A 60 12.947 -7.797 -1.140 1.00 0.00 C ATOM 970 NZ LYS A 60 11.750 -7.265 -0.416 1.00 0.00 N ATOM 0 H LYS A 60 9.431 -4.435 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 60 12.062 -3.970 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.195 -5.793 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.420 -6.531 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.595 -6.912 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.421 -6.040 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.817 -8.608 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.548 -8.579 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.240 -8.746 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.780 -7.108 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.665 -7.737 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.858 -6.241 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.895 -7.448 -0.979 1.00 0.00 H new ATOM 984 N GLU A 61 9.599 -4.611 -5.749 1.00 0.00 N ATOM 985 CA GLU A 61 9.185 -4.586 -7.172 1.00 0.00 C ATOM 986 C GLU A 61 9.151 -3.143 -7.720 1.00 0.00 C ATOM 987 O GLU A 61 8.825 -2.945 -8.895 1.00 0.00 O ATOM 988 CB GLU A 61 7.780 -5.226 -7.347 1.00 0.00 C ATOM 989 CG GLU A 61 7.676 -6.721 -6.987 1.00 0.00 C ATOM 990 CD GLU A 61 8.586 -7.627 -7.832 1.00 0.00 C ATOM 991 OE1 GLU A 61 8.425 -7.663 -9.069 1.00 0.00 O ATOM 992 OE2 GLU A 61 9.466 -8.306 -7.266 1.00 0.00 O ATOM 0 H GLU A 61 8.813 -4.613 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 61 9.921 -5.162 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.070 -4.673 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.470 -5.099 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.927 -6.850 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.642 -7.044 -7.110 1.00 0.00 H new ATOM 999 N LEU A 62 9.447 -2.155 -6.839 1.00 0.00 N ATOM 1000 CA LEU A 62 9.472 -0.701 -7.163 1.00 0.00 C ATOM 1001 C LEU A 62 8.051 -0.131 -7.426 1.00 0.00 C ATOM 1002 O LEU A 62 7.919 1.002 -7.896 1.00 0.00 O ATOM 1003 CB LEU A 62 10.459 -0.358 -8.341 1.00 0.00 C ATOM 1004 CG LEU A 62 11.996 -0.455 -8.033 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.377 0.377 -6.789 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.467 -1.922 -7.905 1.00 0.00 C ATOM 0 H LEU A 62 9.680 -2.347 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 62 9.859 -0.204 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.237 -1.025 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.244 0.656 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 62 12.522 -0.026 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.448 0.287 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.125 1.424 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.828 0.008 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.536 -1.944 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.925 -2.409 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.272 -2.449 -8.839 1.00 0.00 H new ATOM 1018 N LYS A 63 7.007 -0.918 -7.087 1.00 0.00 N ATOM 1019 CA LYS A 63 5.594 -0.491 -7.176 1.00 0.00 C ATOM 1020 C LYS A 63 5.277 0.568 -6.112 1.00 0.00 C ATOM 1021 O LYS A 63 4.511 1.512 -6.358 1.00 0.00 O ATOM 1022 CB LYS A 63 4.657 -1.714 -7.010 1.00 0.00 C ATOM 1023 CG LYS A 63 4.918 -2.826 -8.038 1.00 0.00 C ATOM 1024 CD LYS A 63 3.973 -4.035 -7.882 1.00 0.00 C ATOM 1025 CE LYS A 63 4.304 -5.149 -8.891 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.363 -6.296 -8.807 1.00 0.00 N ATOM 0 H LYS A 63 7.121 -1.871 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 63 5.429 -0.048 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.778 -2.121 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.622 -1.384 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.809 -2.416 -9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.949 -3.165 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.049 -4.428 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.942 -3.711 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.281 -4.738 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.319 -5.504 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.523 -6.936 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.522 -6.811 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.384 -5.945 -8.833 1.00 0.00 H new ATOM 1040 N VAL A 64 5.876 0.400 -4.924 1.00 0.00 N ATOM 1041 CA VAL A 64 5.793 1.390 -3.832 1.00 0.00 C ATOM 1042 C VAL A 64 7.202 1.659 -3.293 1.00 0.00 C ATOM 1043 O VAL A 64 8.173 1.016 -3.709 1.00 0.00 O ATOM 1044 CB VAL A 64 4.840 0.943 -2.647 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.416 0.648 -3.144 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.411 -0.253 -1.866 1.00 0.00 C ATOM 0 H VAL A 64 6.431 -0.423 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 64 5.356 2.296 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 64 4.784 1.785 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.793 0.345 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.997 1.544 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.447 -0.155 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.725 -0.525 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.536 -1.101 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.377 0.018 -1.441 1.00 0.00 H new ATOM 1056 N SER A 65 7.290 2.600 -2.360 1.00 0.00 N ATOM 1057 CA SER A 65 8.529 2.983 -1.699 1.00 0.00 C ATOM 1058 C SER A 65 8.188 3.318 -0.246 1.00 0.00 C ATOM 1059 O SER A 65 7.031 3.622 0.071 1.00 0.00 O ATOM 1060 CB SER A 65 9.163 4.209 -2.411 1.00 0.00 C ATOM 1061 OG SER A 65 10.419 4.557 -1.840 1.00 0.00 O ATOM 0 H SER A 65 6.481 3.130 -2.035 1.00 0.00 H new ATOM 0 HA SER A 65 9.255 2.171 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.294 3.987 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.485 5.060 -2.344 1.00 0.00 H new ATOM 0 HG SER A 65 10.790 5.331 -2.313 1.00 0.00 H new ATOM 1067 N LEU A 66 9.181 3.258 0.642 1.00 0.00 N ATOM 1068 CA LEU A 66 9.001 3.644 2.046 1.00 0.00 C ATOM 1069 C LEU A 66 9.769 4.956 2.275 1.00 0.00 C ATOM 1070 O LEU A 66 10.997 4.989 2.167 1.00 0.00 O ATOM 1071 CB LEU A 66 9.496 2.516 2.993 1.00 0.00 C ATOM 1072 CG LEU A 66 9.153 2.704 4.500 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.629 2.769 4.718 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.793 1.589 5.358 1.00 0.00 C ATOM 0 H LEU A 66 10.124 2.944 0.414 1.00 0.00 H new ATOM 0 HA LEU A 66 7.945 3.796 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.070 1.571 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.578 2.431 2.893 1.00 0.00 H new ATOM 0 HG LEU A 66 9.575 3.656 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.419 2.901 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.217 3.610 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.172 1.843 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.538 1.745 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.417 0.619 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.876 1.616 5.241 1.00 0.00 H new ATOM 1086 N THR A 67 9.029 6.036 2.541 1.00 0.00 N ATOM 1087 CA THR A 67 9.588 7.398 2.671 1.00 0.00 C ATOM 1088 C THR A 67 9.751 7.797 4.151 1.00 0.00 C ATOM 1089 O THR A 67 10.682 8.530 4.510 1.00 0.00 O ATOM 1090 CB THR A 67 8.672 8.414 1.922 1.00 0.00 C ATOM 1091 OG1 THR A 67 7.301 8.203 2.311 1.00 0.00 O ATOM 1092 CG2 THR A 67 8.800 8.280 0.393 1.00 0.00 C ATOM 0 H THR A 67 8.018 5.997 2.674 1.00 0.00 H new ATOM 0 HA THR A 67 10.580 7.411 2.219 1.00 0.00 H new ATOM 0 HB THR A 67 8.991 9.419 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.726 8.843 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.146 9.005 -0.092 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.832 8.467 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.512 7.273 0.091 1.00 0.00 H new ATOM 1100 N SER A 68 8.854 7.284 4.991 1.00 0.00 N ATOM 1101 CA SER A 68 8.824 7.544 6.436 1.00 0.00 C ATOM 1102 C SER A 68 8.489 6.199 7.134 1.00 0.00 C ATOM 1103 O SER A 68 7.792 5.406 6.514 1.00 0.00 O ATOM 1104 CB SER A 68 7.772 8.657 6.718 1.00 0.00 C ATOM 1105 OG SER A 68 7.700 9.002 8.088 1.00 0.00 O ATOM 0 H SER A 68 8.108 6.660 4.682 1.00 0.00 H new ATOM 0 HA SER A 68 9.777 7.904 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.022 9.544 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.792 8.320 6.380 1.00 0.00 H new ATOM 0 HG SER A 68 7.028 9.704 8.214 1.00 0.00 H new ATOM 1111 N PRO A 69 8.997 5.918 8.397 1.00 0.00 N ATOM 1112 CA PRO A 69 8.883 4.600 9.107 1.00 0.00 C ATOM 1113 C PRO A 69 7.679 3.698 8.717 1.00 0.00 C ATOM 1114 O PRO A 69 7.869 2.689 8.037 1.00 0.00 O ATOM 1115 CB PRO A 69 8.827 5.056 10.584 1.00 0.00 C ATOM 1116 CG PRO A 69 9.793 6.210 10.637 1.00 0.00 C ATOM 1117 CD PRO A 69 9.763 6.872 9.255 1.00 0.00 C ATOM 0 HA PRO A 69 9.707 3.936 8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.821 5.362 10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.122 4.255 11.262 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.506 6.920 11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.798 5.863 10.878 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.279 7.848 9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.770 7.031 8.870 1.00 0.00 H new ATOM 1125 N ALA A 70 6.450 4.064 9.136 1.00 0.00 N ATOM 1126 CA ALA A 70 5.219 3.330 8.780 1.00 0.00 C ATOM 1127 C ALA A 70 4.321 4.174 7.840 1.00 0.00 C ATOM 1128 O ALA A 70 3.094 4.190 7.966 1.00 0.00 O ATOM 1129 CB ALA A 70 4.475 2.934 10.068 1.00 0.00 C ATOM 0 H ALA A 70 6.284 4.876 9.730 1.00 0.00 H new ATOM 0 HA ALA A 70 5.484 2.424 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.565 2.392 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.116 2.298 10.678 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.216 3.832 10.629 1.00 0.00 H new ATOM 1135 N THR A 71 4.957 4.886 6.900 1.00 0.00 N ATOM 1136 CA THR A 71 4.268 5.688 5.872 1.00 0.00 C ATOM 1137 C THR A 71 4.862 5.363 4.495 1.00 0.00 C ATOM 1138 O THR A 71 6.062 5.551 4.254 1.00 0.00 O ATOM 1139 CB THR A 71 4.367 7.217 6.157 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.798 7.492 7.448 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.641 8.068 5.088 1.00 0.00 C ATOM 0 H THR A 71 5.974 4.924 6.829 1.00 0.00 H new ATOM 0 HA THR A 71 3.210 5.428 5.892 1.00 0.00 H new ATOM 0 HB THR A 71 5.422 7.489 6.129 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.564 8.442 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.741 9.125 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.085 7.880 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.585 7.799 5.065 1.00 0.00 H new ATOM 1149 N TRP A 72 3.988 4.932 3.587 1.00 0.00 N ATOM 1150 CA TRP A 72 4.374 4.434 2.266 1.00 0.00 C ATOM 1151 C TRP A 72 4.063 5.488 1.211 1.00 0.00 C ATOM 1152 O TRP A 72 3.247 6.372 1.433 1.00 0.00 O ATOM 1153 CB TRP A 72 3.627 3.111 1.960 1.00 0.00 C ATOM 1154 CG TRP A 72 4.033 1.992 2.886 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.527 1.714 4.127 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.058 1.026 2.642 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.174 0.627 4.656 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.114 0.183 3.761 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.923 0.789 1.575 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.014 -0.876 3.846 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.811 -0.258 1.660 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.848 -1.084 2.786 1.00 0.00 C ATOM 0 H TRP A 72 2.981 4.918 3.749 1.00 0.00 H new ATOM 0 HA TRP A 72 5.445 4.233 2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.553 3.276 2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.825 2.816 0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.738 2.267 4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.986 0.214 5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.896 1.417 0.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.051 -1.510 4.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.491 -0.445 0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.551 -1.904 2.818 1.00 0.00 H new ATOM 1173 N CYS A 73 4.707 5.361 0.062 1.00 0.00 N ATOM 1174 CA CYS A 73 4.544 6.276 -1.067 1.00 0.00 C ATOM 1175 C CYS A 73 4.497 5.456 -2.346 1.00 0.00 C ATOM 1176 O CYS A 73 4.983 4.324 -2.380 1.00 0.00 O ATOM 1177 CB CYS A 73 5.700 7.294 -1.120 1.00 0.00 C ATOM 1178 SG CYS A 73 5.567 8.506 -2.459 1.00 0.00 S ATOM 0 H CYS A 73 5.370 4.608 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 73 3.618 6.839 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.745 7.825 -0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.640 6.753 -1.228 1.00 0.00 H new ATOM 0 HG CYS A 73 5.600 7.892 -3.605 1.00 0.00 H new ATOM 1184 N LEU A 74 3.886 6.015 -3.379 1.00 0.00 N ATOM 1185 CA LEU A 74 3.798 5.373 -4.687 1.00 0.00 C ATOM 1186 C LEU A 74 5.146 5.478 -5.429 1.00 0.00 C ATOM 1187 O LEU A 74 5.740 6.558 -5.488 1.00 0.00 O ATOM 1188 CB LEU A 74 2.662 6.043 -5.494 1.00 0.00 C ATOM 1189 CG LEU A 74 2.311 5.381 -6.852 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.892 3.905 -6.672 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.218 6.196 -7.570 1.00 0.00 C ATOM 0 H LEU A 74 3.435 6.929 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 74 3.573 4.313 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.764 6.057 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.938 7.081 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 74 3.205 5.381 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.653 3.473 -7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.711 3.347 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.015 3.852 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.978 5.723 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.324 6.233 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.578 7.209 -7.748 1.00 0.00 H new ATOM 1203 N GLY A 75 5.632 4.347 -5.965 1.00 0.00 N ATOM 1204 CA GLY A 75 6.885 4.304 -6.728 1.00 0.00 C ATOM 1205 C GLY A 75 6.638 4.094 -8.212 1.00 0.00 C ATOM 1206 O GLY A 75 7.044 4.906 -9.052 1.00 0.00 O ATOM 0 H GLY A 75 5.169 3.442 -5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.433 5.235 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.514 3.500 -6.347 1.00 0.00 H new