USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 GLN : amide:sc= -1.23! C(o=-1.2!,f=-1.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.407 K(o=0.41,f=-2.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.414 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -57:sc= 0.411 USER MOD Single : A 47 ASN : amide:sc= -0.3 K(o=-0.3,f=-2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.65! C(o=-3.7!,f=-3.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.184! K(o=-0.18!,f=-0.98) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0268 (180deg=-0.229) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.621) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 141:sc= -2.69 (180deg=-5.36!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.880 8.164 2.169 1.00 0.00 N ATOM 243 CA GLN A 21 6.892 7.136 2.474 1.00 0.00 C ATOM 244 C GLN A 21 6.437 6.424 1.204 1.00 0.00 C ATOM 245 O GLN A 21 6.425 5.195 1.141 1.00 0.00 O ATOM 246 CB GLN A 21 5.687 7.753 3.187 1.00 0.00 C ATOM 247 CG GLN A 21 5.941 8.061 4.654 1.00 0.00 C ATOM 248 CD GLN A 21 7.333 8.605 4.904 1.00 0.00 C ATOM 249 OE1 GLN A 21 7.687 9.683 4.426 1.00 0.00 O ATOM 250 NE2 GLN A 21 8.134 7.859 5.657 1.00 0.00 N ATOM 0 HA GLN A 21 7.359 6.403 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.404 8.673 2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.840 7.071 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.204 8.785 5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.799 7.154 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.800 6.972 6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.083 8.174 5.859 1.00 0.00 H new ATOM 259 N GLU A 22 6.062 7.205 0.196 1.00 0.00 N ATOM 260 CA GLU A 22 5.605 6.648 -1.072 1.00 0.00 C ATOM 261 C GLU A 22 6.760 6.002 -1.831 1.00 0.00 C ATOM 262 O GLU A 22 6.550 5.212 -2.751 1.00 0.00 O ATOM 263 CB GLU A 22 4.961 7.738 -1.931 1.00 0.00 C ATOM 264 CG GLU A 22 3.883 7.218 -2.867 1.00 0.00 C ATOM 265 CD GLU A 22 3.050 8.331 -3.473 1.00 0.00 C ATOM 266 OE1 GLU A 22 3.642 9.268 -4.049 1.00 0.00 O ATOM 267 OE2 GLU A 22 1.807 8.266 -3.371 1.00 0.00 O ATOM 0 H GLU A 22 6.066 8.224 0.233 1.00 0.00 H new ATOM 0 HA GLU A 22 4.862 5.881 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.528 8.496 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.735 8.230 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.348 6.641 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.230 6.537 -2.321 1.00 0.00 H new ATOM 274 N LYS A 23 7.983 6.345 -1.439 1.00 0.00 N ATOM 275 CA LYS A 23 9.173 5.800 -2.080 1.00 0.00 C ATOM 276 C LYS A 23 9.652 4.544 -1.361 1.00 0.00 C ATOM 277 O LYS A 23 9.993 3.545 -1.995 1.00 0.00 O ATOM 278 CB LYS A 23 10.291 6.846 -2.100 1.00 0.00 C ATOM 279 CG LYS A 23 10.938 7.070 -0.745 1.00 0.00 C ATOM 280 CD LYS A 23 12.091 8.057 -0.834 1.00 0.00 C ATOM 281 CE LYS A 23 13.408 7.351 -1.117 1.00 0.00 C ATOM 282 NZ LYS A 23 14.533 8.315 -1.264 1.00 0.00 N ATOM 0 H LYS A 23 8.175 6.998 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 23 8.913 5.534 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.056 6.535 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.886 7.792 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.193 7.442 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.300 6.120 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.890 8.783 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.168 8.613 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.629 6.656 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.315 6.760 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.413 7.795 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.334 8.963 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.639 8.862 -0.386 1.00 0.00 H new ATOM 296 N LEU A 24 9.673 4.599 -0.034 1.00 0.00 N ATOM 297 CA LEU A 24 10.108 3.464 0.773 1.00 0.00 C ATOM 298 C LEU A 24 9.258 2.231 0.481 1.00 0.00 C ATOM 299 O LEU A 24 9.736 1.100 0.566 1.00 0.00 O ATOM 300 CB LEU A 24 10.031 3.810 2.260 1.00 0.00 C ATOM 301 CG LEU A 24 10.294 2.660 3.232 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.743 2.206 3.142 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.952 3.075 4.656 1.00 0.00 C ATOM 0 H LEU A 24 9.394 5.418 0.506 1.00 0.00 H new ATOM 0 HA LEU A 24 11.142 3.240 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.749 4.604 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.040 4.215 2.467 1.00 0.00 H new ATOM 0 HG LEU A 24 9.653 1.823 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.912 1.387 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.956 1.867 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.401 3.038 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.146 2.244 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.566 3.928 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.899 3.351 4.712 1.00 0.00 H new ATOM 315 N VAL A 25 7.994 2.458 0.136 1.00 0.00 N ATOM 316 CA VAL A 25 7.078 1.366 -0.172 1.00 0.00 C ATOM 317 C VAL A 25 7.320 0.826 -1.577 1.00 0.00 C ATOM 318 O VAL A 25 7.298 -0.385 -1.799 1.00 0.00 O ATOM 319 CB VAL A 25 5.610 1.815 -0.052 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.671 0.653 -0.335 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.344 2.403 1.326 1.00 0.00 C ATOM 0 H VAL A 25 7.581 3.388 0.063 1.00 0.00 H new ATOM 0 HA VAL A 25 7.269 0.577 0.555 1.00 0.00 H new ATOM 0 HB VAL A 25 5.424 2.590 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.638 0.990 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.845 0.282 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.855 -0.147 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.302 2.715 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.548 1.651 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.992 3.265 1.485 1.00 0.00 H new ATOM 331 N TYR A 26 7.549 1.731 -2.521 1.00 0.00 N ATOM 332 CA TYR A 26 7.793 1.345 -3.906 1.00 0.00 C ATOM 333 C TYR A 26 9.031 0.460 -4.015 1.00 0.00 C ATOM 334 O TYR A 26 9.081 -0.458 -4.834 1.00 0.00 O ATOM 335 CB TYR A 26 7.962 2.588 -4.782 1.00 0.00 C ATOM 336 CG TYR A 26 8.287 2.272 -6.224 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.402 1.551 -7.016 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.480 2.697 -6.796 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.696 1.260 -8.334 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.782 2.412 -8.114 1.00 0.00 C ATOM 341 CZ TYR A 26 8.887 1.693 -8.878 1.00 0.00 C ATOM 342 OH TYR A 26 9.183 1.407 -10.191 1.00 0.00 O ATOM 0 H TYR A 26 7.571 2.737 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 26 6.931 0.777 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.045 3.176 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.756 3.210 -4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.468 1.212 -6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.183 3.260 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.997 0.697 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.713 2.750 -8.543 1.00 0.00 H new ATOM 0 HH TYR A 26 10.058 1.784 -10.419 1.00 0.00 H new ATOM 352 N GLN A 27 10.029 0.744 -3.184 1.00 0.00 N ATOM 353 CA GLN A 27 11.267 -0.025 -3.186 1.00 0.00 C ATOM 354 C GLN A 27 11.025 -1.448 -2.695 1.00 0.00 C ATOM 355 O GLN A 27 11.694 -2.387 -3.129 1.00 0.00 O ATOM 356 CB GLN A 27 12.318 0.658 -2.309 1.00 0.00 C ATOM 357 CG GLN A 27 12.867 1.943 -2.907 1.00 0.00 C ATOM 358 CD GLN A 27 14.026 1.699 -3.853 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.191 1.816 -3.470 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.713 1.356 -5.097 1.00 0.00 N ATOM 0 H GLN A 27 10.004 1.501 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 27 11.634 -0.072 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.880 0.878 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.142 -0.035 -2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.070 2.460 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.192 2.603 -2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.734 1.271 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.451 1.178 -5.778 1.00 0.00 H new ATOM 369 N ILE A 28 10.066 -1.601 -1.789 1.00 0.00 N ATOM 370 CA ILE A 28 9.736 -2.911 -1.240 1.00 0.00 C ATOM 371 C ILE A 28 8.981 -3.759 -2.258 1.00 0.00 C ATOM 372 O ILE A 28 9.204 -4.966 -2.363 1.00 0.00 O ATOM 373 CB ILE A 28 8.886 -2.787 0.038 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.619 -1.945 1.084 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.562 -4.166 0.594 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.704 -1.352 2.133 1.00 0.00 C ATOM 0 H ILE A 28 9.504 -0.835 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 28 10.680 -3.397 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 28 7.950 -2.288 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.369 -2.564 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.152 -1.138 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.961 -4.062 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.005 -4.736 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.488 -4.689 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.292 -0.768 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.969 -0.706 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.190 -2.154 2.663 1.00 0.00 H new ATOM 388 N ILE A 29 8.089 -3.120 -3.008 1.00 0.00 N ATOM 389 CA ILE A 29 7.304 -3.815 -4.020 1.00 0.00 C ATOM 390 C ILE A 29 8.198 -4.373 -5.122 1.00 0.00 C ATOM 391 O ILE A 29 8.168 -5.568 -5.414 1.00 0.00 O ATOM 392 CB ILE A 29 6.249 -2.887 -4.650 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.321 -2.327 -3.571 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.450 -3.634 -5.708 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.429 -1.208 -4.062 1.00 0.00 C ATOM 0 H ILE A 29 7.892 -2.122 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 29 6.797 -4.638 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 29 6.761 -2.053 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.698 -3.134 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.923 -1.962 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.708 -2.965 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.123 -3.988 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.946 -4.485 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.798 -0.860 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.044 -0.384 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.801 -1.573 -4.874 1.00 0.00 H new ATOM 407 N GLU A 30 8.994 -3.498 -5.730 1.00 0.00 N ATOM 408 CA GLU A 30 9.898 -3.904 -6.800 1.00 0.00 C ATOM 409 C GLU A 30 10.863 -4.983 -6.317 1.00 0.00 C ATOM 410 O GLU A 30 11.380 -5.769 -7.111 1.00 0.00 O ATOM 411 CB GLU A 30 10.682 -2.698 -7.320 1.00 0.00 C ATOM 412 CG GLU A 30 11.883 -2.338 -6.462 1.00 0.00 C ATOM 413 CD GLU A 30 13.147 -3.054 -6.897 1.00 0.00 C ATOM 414 OE1 GLU A 30 13.038 -4.040 -7.655 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.244 -2.629 -6.479 1.00 0.00 O ATOM 0 H GLU A 30 9.031 -2.505 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 30 9.298 -4.315 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.020 -2.905 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.015 -1.838 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.046 -1.261 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.669 -2.586 -5.422 1.00 0.00 H new ATOM 422 N ASP A 31 11.100 -5.014 -5.010 1.00 0.00 N ATOM 423 CA ASP A 31 12.002 -5.996 -4.420 1.00 0.00 C ATOM 424 C ASP A 31 11.397 -7.395 -4.480 1.00 0.00 C ATOM 425 O ASP A 31 12.102 -8.377 -4.710 1.00 0.00 O ATOM 426 CB ASP A 31 12.317 -5.625 -2.970 1.00 0.00 C ATOM 427 CG ASP A 31 13.535 -4.730 -2.852 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.696 -3.832 -3.705 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.329 -4.930 -1.909 1.00 0.00 O ATOM 0 H ASP A 31 10.680 -4.370 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 31 12.927 -5.995 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.456 -5.121 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.481 -6.535 -2.393 1.00 0.00 H new ATOM 434 N ALA A 32 10.087 -7.477 -4.271 1.00 0.00 N ATOM 435 CA ALA A 32 9.388 -8.755 -4.302 1.00 0.00 C ATOM 436 C ALA A 32 9.619 -9.476 -5.626 1.00 0.00 C ATOM 437 O ALA A 32 9.785 -10.694 -5.661 1.00 0.00 O ATOM 438 CB ALA A 32 7.899 -8.548 -4.065 1.00 0.00 C ATOM 0 H ALA A 32 9.489 -6.673 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 32 9.789 -9.379 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.389 -9.511 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.747 -8.083 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.493 -7.902 -4.843 1.00 0.00 H new ATOM 444 N GLY A 33 9.629 -8.714 -6.716 1.00 0.00 N ATOM 445 CA GLY A 33 9.840 -9.297 -8.028 1.00 0.00 C ATOM 446 C GLY A 33 8.544 -9.723 -8.688 1.00 0.00 C ATOM 447 O GLY A 33 7.459 -9.456 -8.172 1.00 0.00 O ATOM 0 H GLY A 33 9.495 -7.703 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.349 -8.574 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.499 -10.161 -7.937 1.00 0.00 H new ATOM 451 N ASN A 34 8.655 -10.386 -9.835 1.00 0.00 N ATOM 452 CA ASN A 34 7.482 -10.847 -10.568 1.00 0.00 C ATOM 453 C ASN A 34 6.452 -11.453 -9.620 1.00 0.00 C ATOM 454 O ASN A 34 5.264 -11.136 -9.691 1.00 0.00 O ATOM 455 CB ASN A 34 7.888 -11.877 -11.624 1.00 0.00 C ATOM 456 CG ASN A 34 9.197 -11.523 -12.305 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.270 -11.656 -11.717 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.112 -11.069 -13.549 1.00 0.00 N ATOM 0 H ASN A 34 9.545 -10.616 -10.276 1.00 0.00 H new ATOM 0 HA ASN A 34 7.032 -9.987 -11.063 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.979 -12.857 -11.156 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.101 -11.954 -12.374 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.958 -10.814 -14.058 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.200 -10.975 -13.997 1.00 0.00 H new ATOM 465 N LYS A 35 6.915 -12.327 -8.733 1.00 0.00 N ATOM 466 CA LYS A 35 6.035 -12.978 -7.769 1.00 0.00 C ATOM 467 C LYS A 35 5.086 -11.968 -7.130 1.00 0.00 C ATOM 468 O LYS A 35 3.910 -12.257 -6.914 1.00 0.00 O ATOM 469 CB LYS A 35 6.860 -13.675 -6.684 1.00 0.00 C ATOM 470 CG LYS A 35 7.715 -14.815 -7.209 1.00 0.00 C ATOM 471 CD LYS A 35 8.699 -15.303 -6.160 1.00 0.00 C ATOM 472 CE LYS A 35 9.805 -16.143 -6.780 1.00 0.00 C ATOM 473 NZ LYS A 35 9.288 -17.433 -7.315 1.00 0.00 N ATOM 0 H LYS A 35 7.895 -12.601 -8.661 1.00 0.00 H new ATOM 0 HA LYS A 35 5.442 -13.722 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.505 -12.941 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.187 -14.060 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.073 -15.640 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.259 -14.485 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.136 -14.448 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.171 -15.892 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.281 -15.581 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.573 -16.342 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.072 -17.976 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.857 -17.981 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.574 -17.244 -8.047 1.00 0.00 H new ATOM 487 N GLY A 36 5.606 -10.781 -6.831 1.00 0.00 N ATOM 488 CA GLY A 36 4.791 -9.747 -6.222 1.00 0.00 C ATOM 489 C GLY A 36 4.865 -9.766 -4.708 1.00 0.00 C ATOM 490 O GLY A 36 5.640 -10.528 -4.128 1.00 0.00 O ATOM 0 H GLY A 36 6.577 -10.518 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.115 -8.772 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.754 -9.875 -6.534 1.00 0.00 H new ATOM 494 N ILE A 37 4.059 -8.927 -4.067 1.00 0.00 N ATOM 495 CA ILE A 37 4.038 -8.851 -2.611 1.00 0.00 C ATOM 496 C ILE A 37 2.628 -8.586 -2.095 1.00 0.00 C ATOM 497 O ILE A 37 1.796 -8.014 -2.799 1.00 0.00 O ATOM 498 CB ILE A 37 4.978 -7.747 -2.091 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.049 -7.786 -0.563 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.508 -6.382 -2.571 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.005 -6.770 0.023 1.00 0.00 C ATOM 0 H ILE A 37 3.412 -8.290 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 37 4.383 -9.816 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 37 5.978 -7.925 -2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.053 -7.612 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.353 -8.784 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.182 -5.612 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.504 -6.361 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.500 -6.193 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.004 -6.854 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.010 -6.956 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.690 -5.767 -0.263 1.00 0.00 H new ATOM 513 N TRP A 38 2.367 -9.005 -0.862 1.00 0.00 N ATOM 514 CA TRP A 38 1.057 -8.812 -0.251 1.00 0.00 C ATOM 515 C TRP A 38 0.979 -7.462 0.453 1.00 0.00 C ATOM 516 O TRP A 38 1.852 -7.114 1.248 1.00 0.00 O ATOM 517 CB TRP A 38 0.764 -9.937 0.743 1.00 0.00 C ATOM 518 CG TRP A 38 -0.688 -10.058 1.092 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.751 -9.707 0.310 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.237 -10.565 2.314 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.927 -9.964 0.972 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.639 -10.492 2.203 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.680 -11.076 3.489 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.489 -10.909 3.224 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.525 -11.489 4.502 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.916 -11.405 4.364 1.00 0.00 C ATOM 0 H TRP A 38 3.045 -9.480 -0.266 1.00 0.00 H new ATOM 0 HA TRP A 38 0.308 -8.832 -1.043 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.109 -10.882 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.336 -9.765 1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.678 -9.289 -0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.863 -9.790 0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.392 -11.147 3.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.562 -10.843 3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.105 -11.883 5.416 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.549 -11.738 5.173 1.00 0.00 H new ATOM 537 N SER A 39 -0.073 -6.704 0.156 1.00 0.00 N ATOM 538 CA SER A 39 -0.262 -5.390 0.759 1.00 0.00 C ATOM 539 C SER A 39 0.241 -5.375 2.199 1.00 0.00 C ATOM 540 O SER A 39 0.944 -4.453 2.612 1.00 0.00 O ATOM 541 CB SER A 39 -1.740 -4.996 0.719 1.00 0.00 C ATOM 542 OG SER A 39 -2.054 -4.087 1.760 1.00 0.00 O ATOM 0 H SER A 39 -0.806 -6.978 -0.498 1.00 0.00 H new ATOM 0 HA SER A 39 0.316 -4.667 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.973 -4.544 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.360 -5.888 0.811 1.00 0.00 H new ATOM 0 HG SER A 39 -3.004 -3.850 1.712 1.00 0.00 H new ATOM 548 N ARG A 40 -0.124 -6.403 2.958 1.00 0.00 N ATOM 549 CA ARG A 40 0.288 -6.508 4.352 1.00 0.00 C ATOM 550 C ARG A 40 1.809 -6.556 4.467 1.00 0.00 C ATOM 551 O ARG A 40 2.422 -5.694 5.097 1.00 0.00 O ATOM 552 CB ARG A 40 -0.322 -7.755 4.994 1.00 0.00 C ATOM 553 CG ARG A 40 -1.817 -7.642 5.243 1.00 0.00 C ATOM 554 CD ARG A 40 -2.302 -8.704 6.217 1.00 0.00 C ATOM 555 NE ARG A 40 -3.753 -8.858 6.182 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.595 -8.035 6.797 1.00 0.00 C ATOM 557 NH1 ARG A 40 -4.131 -7.005 7.491 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.903 -8.241 6.718 1.00 0.00 N ATOM 0 H ARG A 40 -0.704 -7.175 2.631 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.072 -5.624 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.133 -8.614 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.182 -7.949 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.047 -6.652 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.353 -7.741 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.831 -9.657 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.990 -8.439 7.227 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.142 -9.641 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.126 -6.843 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.779 -6.374 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.263 -9.032 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.548 -7.608 7.191 1.00 0.00 H new ATOM 572 N ASP A 41 2.411 -7.569 3.854 1.00 0.00 N ATOM 573 CA ASP A 41 3.860 -7.730 3.887 1.00 0.00 C ATOM 574 C ASP A 41 4.559 -6.375 3.828 1.00 0.00 C ATOM 575 O ASP A 41 5.641 -6.198 4.388 1.00 0.00 O ATOM 576 CB ASP A 41 4.324 -8.608 2.723 1.00 0.00 C ATOM 577 CG ASP A 41 5.597 -9.366 3.041 1.00 0.00 C ATOM 578 OD1 ASP A 41 5.857 -9.613 4.237 1.00 0.00 O ATOM 579 OD2 ASP A 41 6.334 -9.713 2.094 1.00 0.00 O ATOM 0 H ASP A 41 1.918 -8.291 3.328 1.00 0.00 H new ATOM 0 HA ASP A 41 4.125 -8.215 4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.536 -9.317 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.486 -7.985 1.844 1.00 0.00 H new ATOM 584 N VAL A 42 3.934 -5.422 3.145 1.00 0.00 N ATOM 585 CA VAL A 42 4.495 -4.083 3.012 1.00 0.00 C ATOM 586 C VAL A 42 4.430 -3.327 4.335 1.00 0.00 C ATOM 587 O VAL A 42 5.442 -2.824 4.824 1.00 0.00 O ATOM 588 CB VAL A 42 3.758 -3.269 1.932 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.307 -1.853 1.862 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.865 -3.959 0.580 1.00 0.00 C ATOM 0 H VAL A 42 3.038 -5.552 2.675 1.00 0.00 H new ATOM 0 HA VAL A 42 5.537 -4.205 2.716 1.00 0.00 H new ATOM 0 HB VAL A 42 2.704 -3.210 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.774 -1.294 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.173 -1.363 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.368 -1.886 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.339 -3.370 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.914 -4.050 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.418 -4.951 0.642 1.00 0.00 H new ATOM 600 N ARG A 43 3.234 -3.250 4.908 1.00 0.00 N ATOM 601 CA ARG A 43 3.037 -2.554 6.174 1.00 0.00 C ATOM 602 C ARG A 43 4.245 -2.735 7.088 1.00 0.00 C ATOM 603 O ARG A 43 4.771 -1.767 7.637 1.00 0.00 O ATOM 604 CB ARG A 43 1.775 -3.068 6.871 1.00 0.00 C ATOM 605 CG ARG A 43 0.519 -2.297 6.502 1.00 0.00 C ATOM 606 CD ARG A 43 -0.705 -2.850 7.216 1.00 0.00 C ATOM 607 NE ARG A 43 -0.765 -4.308 7.147 1.00 0.00 N ATOM 608 CZ ARG A 43 -0.177 -5.110 8.028 1.00 0.00 C ATOM 609 NH1 ARG A 43 0.512 -4.598 9.039 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.277 -6.427 7.899 1.00 0.00 N ATOM 0 H ARG A 43 2.387 -3.661 4.516 1.00 0.00 H new ATOM 0 HA ARG A 43 2.920 -1.491 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.633 -4.119 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.919 -3.016 7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.647 -1.246 6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.365 -2.345 5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.689 -2.537 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.606 -2.428 6.771 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.287 -4.733 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.591 -3.586 9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.962 -5.216 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.806 -6.825 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.175 -7.042 8.576 1.00 0.00 H new ATOM 624 N TYR A 44 4.679 -3.981 7.246 1.00 0.00 N ATOM 625 CA TYR A 44 5.824 -4.289 8.095 1.00 0.00 C ATOM 626 C TYR A 44 7.101 -3.672 7.534 1.00 0.00 C ATOM 627 O TYR A 44 7.812 -2.945 8.228 1.00 0.00 O ATOM 628 CB TYR A 44 5.992 -5.803 8.230 1.00 0.00 C ATOM 629 CG TYR A 44 4.682 -6.555 8.294 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.033 -6.960 7.135 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.093 -6.861 9.515 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.835 -7.646 7.189 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.896 -7.548 9.579 1.00 0.00 C ATOM 634 CZ TYR A 44 2.271 -7.938 8.413 1.00 0.00 C ATOM 635 OH TYR A 44 1.079 -8.622 8.471 1.00 0.00 O ATOM 0 H TYR A 44 4.255 -4.793 6.798 1.00 0.00 H new ATOM 0 HA TYR A 44 5.639 -3.861 9.080 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.572 -6.172 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.568 -6.017 9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.473 -6.735 6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.579 -6.556 10.430 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.343 -7.952 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.452 -7.778 10.536 1.00 0.00 H new ATOM 0 HH TYR A 44 0.819 -8.748 9.408 1.00 0.00 H new ATOM 645 N LYS A 45 7.386 -3.967 6.270 1.00 0.00 N ATOM 646 CA LYS A 45 8.576 -3.441 5.611 1.00 0.00 C ATOM 647 C LYS A 45 8.596 -1.917 5.659 1.00 0.00 C ATOM 648 O LYS A 45 9.487 -1.317 6.261 1.00 0.00 O ATOM 649 CB LYS A 45 8.631 -3.917 4.157 1.00 0.00 C ATOM 650 CG LYS A 45 8.744 -5.425 4.015 1.00 0.00 C ATOM 651 CD LYS A 45 9.877 -5.982 4.859 1.00 0.00 C ATOM 652 CE LYS A 45 10.331 -7.343 4.355 1.00 0.00 C ATOM 653 NZ LYS A 45 11.388 -7.933 5.223 1.00 0.00 N ATOM 0 H LYS A 45 6.809 -4.568 5.681 1.00 0.00 H new ATOM 0 HA LYS A 45 9.451 -3.815 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.734 -3.578 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.482 -3.449 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.805 -5.891 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.909 -5.681 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.718 -5.289 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.552 -6.067 5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.476 -8.018 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.710 -7.245 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.670 -8.860 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.214 -7.301 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.019 -8.050 6.188 1.00 0.00 H new ATOM 667 N SER A 46 7.609 -1.296 5.022 1.00 0.00 N ATOM 668 CA SER A 46 7.515 0.159 4.991 1.00 0.00 C ATOM 669 C SER A 46 7.344 0.723 6.398 1.00 0.00 C ATOM 670 O SER A 46 7.707 1.867 6.668 1.00 0.00 O ATOM 671 CB SER A 46 6.344 0.596 4.109 1.00 0.00 C ATOM 672 OG SER A 46 5.110 0.139 4.634 1.00 0.00 O ATOM 0 H SER A 46 6.863 -1.778 4.520 1.00 0.00 H new ATOM 0 HA SER A 46 8.443 0.549 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.329 1.683 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.480 0.206 3.100 1.00 0.00 H new ATOM 0 HG SER A 46 5.135 -0.836 4.727 1.00 0.00 H new ATOM 678 N ASN A 47 6.789 -0.090 7.291 1.00 0.00 N ATOM 679 CA ASN A 47 6.569 0.326 8.671 1.00 0.00 C ATOM 680 C ASN A 47 5.493 1.405 8.749 1.00 0.00 C ATOM 681 O ASN A 47 5.504 2.245 9.650 1.00 0.00 O ATOM 682 CB ASN A 47 7.872 0.846 9.283 1.00 0.00 C ATOM 683 CG ASN A 47 7.802 0.945 10.795 1.00 0.00 C ATOM 684 OD1 ASN A 47 6.793 0.592 11.405 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.878 1.428 11.406 1.00 0.00 N ATOM 0 H ASN A 47 6.483 -1.041 7.083 1.00 0.00 H new ATOM 0 HA ASN A 47 6.230 -0.542 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.691 0.184 9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.099 1.828 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.890 1.519 12.422 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.692 1.708 10.859 1.00 0.00 H new ATOM 692 N LEU A 48 4.564 1.375 7.800 1.00 0.00 N ATOM 693 CA LEU A 48 3.479 2.350 7.760 1.00 0.00 C ATOM 694 C LEU A 48 2.139 1.684 8.054 1.00 0.00 C ATOM 695 O LEU A 48 1.962 0.480 7.868 1.00 0.00 O ATOM 696 CB LEU A 48 3.433 3.036 6.394 1.00 0.00 C ATOM 697 CG LEU A 48 4.502 4.099 6.140 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.530 4.487 4.670 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.254 5.322 7.011 1.00 0.00 C ATOM 0 H LEU A 48 4.540 0.686 7.048 1.00 0.00 H new ATOM 0 HA LEU A 48 3.668 3.099 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.520 2.271 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.453 3.499 6.275 1.00 0.00 H new ATOM 0 HG LEU A 48 5.474 3.680 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.297 5.245 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.755 3.608 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.558 4.887 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.024 6.069 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.275 5.742 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.285 5.033 8.061 1.00 0.00 H new ATOM 711 N PRO A 49 1.170 2.485 8.521 1.00 0.00 N ATOM 712 CA PRO A 49 -0.173 1.996 8.848 1.00 0.00 C ATOM 713 C PRO A 49 -0.964 1.601 7.605 1.00 0.00 C ATOM 714 O PRO A 49 -0.668 2.054 6.498 1.00 0.00 O ATOM 715 CB PRO A 49 -0.828 3.193 9.540 1.00 0.00 C ATOM 716 CG PRO A 49 -0.103 4.381 9.009 1.00 0.00 C ATOM 717 CD PRO A 49 1.310 3.930 8.767 1.00 0.00 C ATOM 0 HA PRO A 49 -0.141 1.096 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.893 3.246 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.734 3.124 10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.562 4.738 8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.133 5.206 9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.754 4.442 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.949 4.131 9.627 1.00 0.00 H new ATOM 725 N LEU A 50 -1.971 0.755 7.794 1.00 0.00 N ATOM 726 CA LEU A 50 -2.805 0.300 6.688 1.00 0.00 C ATOM 727 C LEU A 50 -3.284 1.478 5.846 1.00 0.00 C ATOM 728 O LEU A 50 -3.219 1.443 4.616 1.00 0.00 O ATOM 729 CB LEU A 50 -4.007 -0.483 7.219 1.00 0.00 C ATOM 730 CG LEU A 50 -4.934 -1.088 6.164 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.714 0.005 5.449 1.00 0.00 C ATOM 732 CD2 LEU A 50 -4.138 -1.916 5.166 1.00 0.00 C ATOM 0 H LEU A 50 -2.229 0.371 8.703 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.203 -0.353 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.639 -1.288 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.595 0.180 7.853 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.644 -1.745 6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.368 -0.444 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.314 0.556 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.019 0.687 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.814 -2.339 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.404 -1.281 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.625 -2.722 5.690 1.00 0.00 H new ATOM 744 N THR A 51 -3.762 2.522 6.515 1.00 0.00 N ATOM 745 CA THR A 51 -4.250 3.712 5.829 1.00 0.00 C ATOM 746 C THR A 51 -3.181 4.293 4.910 1.00 0.00 C ATOM 747 O THR A 51 -3.491 5.014 3.962 1.00 0.00 O ATOM 748 CB THR A 51 -4.695 4.794 6.830 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.366 5.854 6.138 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.502 5.353 7.589 1.00 0.00 C ATOM 0 H THR A 51 -3.822 2.568 7.532 1.00 0.00 H new ATOM 0 HA THR A 51 -5.109 3.404 5.233 1.00 0.00 H new ATOM 0 HB THR A 51 -5.378 4.337 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.648 6.538 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.842 6.116 8.290 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.010 4.549 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.798 5.796 6.885 1.00 0.00 H new ATOM 758 N GLU A 52 -1.923 3.975 5.197 1.00 0.00 N ATOM 759 CA GLU A 52 -0.809 4.467 4.395 1.00 0.00 C ATOM 760 C GLU A 52 -0.494 3.506 3.253 1.00 0.00 C ATOM 761 O GLU A 52 -0.329 3.921 2.106 1.00 0.00 O ATOM 762 CB GLU A 52 0.431 4.661 5.270 1.00 0.00 C ATOM 763 CG GLU A 52 0.466 6.000 5.988 1.00 0.00 C ATOM 764 CD GLU A 52 0.590 7.171 5.033 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.627 7.267 4.344 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.350 7.992 4.975 1.00 0.00 O ATOM 0 H GLU A 52 -1.650 3.379 5.978 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.098 5.428 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.473 3.861 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.322 4.568 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.442 6.114 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.305 6.013 6.684 1.00 0.00 H new ATOM 773 N ILE A 53 -0.412 2.219 3.576 1.00 0.00 N ATOM 774 CA ILE A 53 -0.118 1.199 2.578 1.00 0.00 C ATOM 775 C ILE A 53 -1.232 1.106 1.541 1.00 0.00 C ATOM 776 O ILE A 53 -1.007 0.681 0.409 1.00 0.00 O ATOM 777 CB ILE A 53 0.081 -0.183 3.227 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.477 -0.285 3.845 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.132 -1.286 2.201 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.754 0.773 4.890 1.00 0.00 C ATOM 0 H ILE A 53 -0.545 1.859 4.521 1.00 0.00 H new ATOM 0 HA ILE A 53 0.808 1.497 2.086 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.656 -0.304 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.594 -1.270 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.222 -0.206 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.012 -2.257 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.145 -1.223 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.584 -1.170 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.761 0.640 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.669 1.761 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.031 0.681 5.701 1.00 0.00 H new ATOM 792 N ASN A 54 -2.436 1.508 1.937 1.00 0.00 N ATOM 793 CA ASN A 54 -3.587 1.471 1.042 1.00 0.00 C ATOM 794 C ASN A 54 -3.517 2.601 0.019 1.00 0.00 C ATOM 795 O ASN A 54 -3.624 2.371 -1.185 1.00 0.00 O ATOM 796 CB ASN A 54 -4.886 1.573 1.843 1.00 0.00 C ATOM 797 CG ASN A 54 -5.419 0.215 2.257 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.708 -0.788 2.194 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.676 0.177 2.681 1.00 0.00 N ATOM 0 H ASN A 54 -2.640 1.863 2.871 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.571 0.520 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.714 2.179 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.638 2.089 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.090 -0.709 2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.228 1.034 2.717 1.00 0.00 H new ATOM 806 N LYS A 55 -3.335 3.823 0.508 1.00 0.00 N ATOM 807 CA LYS A 55 -3.249 4.990 -0.362 1.00 0.00 C ATOM 808 C LYS A 55 -1.975 4.950 -1.201 1.00 0.00 C ATOM 809 O LYS A 55 -1.969 5.373 -2.357 1.00 0.00 O ATOM 810 CB LYS A 55 -3.285 6.275 0.469 1.00 0.00 C ATOM 811 CG LYS A 55 -2.036 6.494 1.305 1.00 0.00 C ATOM 812 CD LYS A 55 -1.917 7.938 1.762 1.00 0.00 C ATOM 813 CE LYS A 55 -0.475 8.306 2.078 1.00 0.00 C ATOM 814 NZ LYS A 55 0.278 8.697 0.854 1.00 0.00 N ATOM 0 H LYS A 55 -3.244 4.031 1.502 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.107 4.975 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.419 7.126 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.153 6.247 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.059 5.837 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.155 6.222 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.300 8.599 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.535 8.093 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.458 9.129 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.020 7.460 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.256 8.940 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.284 7.903 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.179 9.521 0.413 1.00 0.00 H new ATOM 828 N ILE A 56 -0.900 4.439 -0.611 1.00 0.00 N ATOM 829 CA ILE A 56 0.378 4.342 -1.306 1.00 0.00 C ATOM 830 C ILE A 56 0.339 3.260 -2.380 1.00 0.00 C ATOM 831 O ILE A 56 0.637 3.517 -3.547 1.00 0.00 O ATOM 832 CB ILE A 56 1.529 4.038 -0.328 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.689 5.182 0.675 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.825 3.809 -1.091 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.343 4.760 1.972 1.00 0.00 C ATOM 0 H ILE A 56 -0.888 4.086 0.346 1.00 0.00 H new ATOM 0 HA ILE A 56 0.557 5.310 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 56 1.289 3.128 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.283 5.974 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.708 5.604 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.629 3.595 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.703 2.965 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.073 4.703 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.424 5.621 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.739 3.989 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.338 4.365 1.766 1.00 0.00 H new ATOM 847 N LEU A 57 -0.031 2.049 -1.978 1.00 0.00 N ATOM 848 CA LEU A 57 -0.112 0.926 -2.906 1.00 0.00 C ATOM 849 C LEU A 57 -0.886 1.313 -4.162 1.00 0.00 C ATOM 850 O LEU A 57 -0.472 1.003 -5.280 1.00 0.00 O ATOM 851 CB LEU A 57 -0.779 -0.273 -2.231 1.00 0.00 C ATOM 852 CG LEU A 57 0.119 -1.122 -1.331 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.696 -2.192 -0.620 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.240 -1.755 -2.143 1.00 0.00 C ATOM 0 H LEU A 57 -0.280 1.819 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 57 0.903 0.653 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.617 0.090 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.194 -0.916 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 57 0.564 -0.473 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.040 -2.786 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.463 -1.718 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.170 -2.839 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.870 -2.356 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.813 -2.391 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.841 -0.972 -2.606 1.00 0.00 H new ATOM 866 N LYS A 58 -2.011 1.993 -3.972 1.00 0.00 N ATOM 867 CA LYS A 58 -2.842 2.426 -5.089 1.00 0.00 C ATOM 868 C LYS A 58 -2.172 3.559 -5.859 1.00 0.00 C ATOM 869 O LYS A 58 -1.857 3.419 -7.039 1.00 0.00 O ATOM 870 CB LYS A 58 -4.215 2.878 -4.585 1.00 0.00 C ATOM 871 CG LYS A 58 -5.311 2.777 -5.631 1.00 0.00 C ATOM 872 CD LYS A 58 -6.690 2.749 -4.993 1.00 0.00 C ATOM 873 CE LYS A 58 -7.789 2.903 -6.033 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.848 1.735 -6.955 1.00 0.00 N ATOM 0 H LYS A 58 -2.369 2.257 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.970 1.579 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.492 2.274 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.145 3.911 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.242 3.624 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.166 1.875 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.825 1.810 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.768 3.550 -4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.750 3.019 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.619 3.812 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.610 1.878 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.940 1.639 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.036 0.870 -6.408 1.00 0.00 H new ATOM 888 N ASN A 59 -1.958 4.683 -5.181 1.00 0.00 N ATOM 889 CA ASN A 59 -1.324 5.840 -5.802 1.00 0.00 C ATOM 890 C ASN A 59 -0.262 5.405 -6.807 1.00 0.00 C ATOM 891 O ASN A 59 -0.183 5.941 -7.913 1.00 0.00 O ATOM 892 CB ASN A 59 -0.694 6.737 -4.733 1.00 0.00 C ATOM 893 CG ASN A 59 -1.652 7.800 -4.233 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.410 8.996 -4.396 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.748 7.368 -3.619 1.00 0.00 N ATOM 0 H ASN A 59 -2.214 4.816 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.092 6.402 -6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.367 6.123 -3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.195 7.217 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.429 8.037 -3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.908 6.367 -3.506 1.00 0.00 H new ATOM 902 N LEU A 60 0.551 4.431 -6.416 1.00 0.00 N ATOM 903 CA LEU A 60 1.609 3.922 -7.283 1.00 0.00 C ATOM 904 C LEU A 60 1.024 3.296 -8.545 1.00 0.00 C ATOM 905 O LEU A 60 1.503 3.543 -9.651 1.00 0.00 O ATOM 906 CB LEU A 60 2.458 2.893 -6.535 1.00 0.00 C ATOM 907 CG LEU A 60 3.274 3.425 -5.356 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.794 2.277 -4.505 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.425 4.288 -5.851 1.00 0.00 C ATOM 0 H LEU A 60 0.499 3.977 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 60 2.241 4.761 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.799 2.105 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.143 2.431 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 60 2.623 4.042 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.372 2.675 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.953 1.699 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.430 1.633 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.995 4.658 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.076 3.694 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.030 5.132 -6.417 1.00 0.00 H new ATOM 921 N GLU A 61 -0.015 2.485 -8.370 1.00 0.00 N ATOM 922 CA GLU A 61 -0.666 1.825 -9.495 1.00 0.00 C ATOM 923 C GLU A 61 -1.154 2.847 -10.518 1.00 0.00 C ATOM 924 O GLU A 61 -1.405 2.512 -11.675 1.00 0.00 O ATOM 925 CB GLU A 61 -1.840 0.975 -9.007 1.00 0.00 C ATOM 926 CG GLU A 61 -1.416 -0.306 -8.309 1.00 0.00 C ATOM 927 CD GLU A 61 -2.588 -1.066 -7.719 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.309 -0.484 -6.881 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.785 -2.240 -8.095 1.00 0.00 O ATOM 0 H GLU A 61 -0.423 2.270 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 61 0.067 1.177 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.447 1.568 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.473 0.723 -9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.894 -0.946 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.708 -0.066 -7.516 1.00 0.00 H new ATOM 936 N SER A 62 -1.287 4.095 -10.081 1.00 0.00 N ATOM 937 CA SER A 62 -1.750 5.166 -10.956 1.00 0.00 C ATOM 938 C SER A 62 -0.577 5.821 -11.679 1.00 0.00 C ATOM 939 O SER A 62 -0.727 6.344 -12.784 1.00 0.00 O ATOM 940 CB SER A 62 -2.517 6.217 -10.150 1.00 0.00 C ATOM 941 OG SER A 62 -3.463 6.891 -10.961 1.00 0.00 O ATOM 0 H SER A 62 -1.081 4.390 -9.126 1.00 0.00 H new ATOM 0 HA SER A 62 -2.417 4.731 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.026 5.738 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.817 6.938 -9.727 1.00 0.00 H new ATOM 0 HG SER A 62 -3.941 7.556 -10.423 1.00 0.00 H new ATOM 947 N LYS A 63 0.592 5.789 -11.048 1.00 0.00 N ATOM 948 CA LYS A 63 1.793 6.377 -11.630 1.00 0.00 C ATOM 949 C LYS A 63 2.494 5.383 -12.550 1.00 0.00 C ATOM 950 O LYS A 63 3.649 5.581 -12.930 1.00 0.00 O ATOM 951 CB LYS A 63 2.750 6.829 -10.525 1.00 0.00 C ATOM 952 CG LYS A 63 2.104 7.738 -9.494 1.00 0.00 C ATOM 953 CD LYS A 63 2.902 7.771 -8.201 1.00 0.00 C ATOM 954 CE LYS A 63 2.719 9.090 -7.467 1.00 0.00 C ATOM 955 NZ LYS A 63 3.390 10.216 -8.174 1.00 0.00 N ATOM 0 H LYS A 63 0.733 5.362 -10.133 1.00 0.00 H new ATOM 0 HA LYS A 63 1.495 7.243 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.151 5.949 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.594 7.349 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.022 8.747 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.090 7.394 -9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.589 6.949 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.959 7.619 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.655 9.306 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.122 9.003 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.526 11.008 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.314 9.900 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.799 10.527 -8.971 1.00 0.00 H new ATOM 969 N LYS A 64 1.790 4.315 -12.907 1.00 0.00 N ATOM 970 CA LYS A 64 2.343 3.291 -13.785 1.00 0.00 C ATOM 971 C LYS A 64 3.626 2.708 -13.201 1.00 0.00 C ATOM 972 O LYS A 64 4.512 2.270 -13.935 1.00 0.00 O ATOM 973 CB LYS A 64 2.622 3.876 -15.172 1.00 0.00 C ATOM 974 CG LYS A 64 1.418 4.560 -15.797 1.00 0.00 C ATOM 975 CD LYS A 64 0.478 3.555 -16.440 1.00 0.00 C ATOM 976 CE LYS A 64 -0.826 4.209 -16.872 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.542 4.831 -15.725 1.00 0.00 N ATOM 0 H LYS A 64 0.834 4.136 -12.601 1.00 0.00 H new ATOM 0 HA LYS A 64 1.609 2.490 -13.875 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.439 4.594 -15.097 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.959 3.077 -15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.882 5.124 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.754 5.277 -16.546 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.963 3.103 -17.305 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.267 2.750 -15.736 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.619 4.969 -17.626 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.469 3.463 -17.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.551 4.929 -15.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.437 4.230 -14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.139 5.770 -15.532 1.00 0.00 H new ATOM 991 N LEU A 65 3.718 2.704 -11.875 1.00 0.00 N ATOM 992 CA LEU A 65 4.892 2.173 -11.192 1.00 0.00 C ATOM 993 C LEU A 65 4.688 0.708 -10.816 1.00 0.00 C ATOM 994 O LEU A 65 5.605 -0.105 -10.927 1.00 0.00 O ATOM 995 CB LEU A 65 5.192 2.995 -9.938 1.00 0.00 C ATOM 996 CG LEU A 65 5.392 4.496 -10.151 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.248 5.247 -8.837 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.753 4.769 -10.776 1.00 0.00 C ATOM 0 H LEU A 65 2.994 3.062 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 65 5.739 2.239 -11.874 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.374 2.854 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.090 2.592 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 65 4.621 4.851 -10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.394 6.313 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.251 5.078 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.995 4.889 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.878 5.842 -10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.537 4.398 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.819 4.263 -11.739 1.00 0.00 H new ATOM 1010 N ILE A 66 3.479 0.380 -10.374 1.00 0.00 N ATOM 1011 CA ILE A 66 3.153 -0.987 -9.986 1.00 0.00 C ATOM 1012 C ILE A 66 1.763 -1.381 -10.474 1.00 0.00 C ATOM 1013 O ILE A 66 1.087 -0.605 -11.149 1.00 0.00 O ATOM 1014 CB ILE A 66 3.219 -1.169 -8.458 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.068 -0.419 -7.783 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.559 -0.685 -7.924 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.869 -0.798 -6.332 1.00 0.00 C ATOM 0 H ILE A 66 2.709 1.042 -10.276 1.00 0.00 H new ATOM 0 HA ILE A 66 3.896 -1.633 -10.454 1.00 0.00 H new ATOM 0 HB ILE A 66 3.121 -2.230 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.256 0.653 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.146 -0.615 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.590 -0.820 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.363 -1.259 -8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.685 0.371 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.037 -0.228 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.650 -1.863 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.776 -0.576 -5.770 1.00 0.00 H new ATOM 1029 N LYS A 67 1.341 -2.592 -10.126 1.00 0.00 N ATOM 1030 CA LYS A 67 0.030 -3.090 -10.526 1.00 0.00 C ATOM 1031 C LYS A 67 -0.495 -4.108 -9.519 1.00 0.00 C ATOM 1032 O LYS A 67 0.237 -4.558 -8.638 1.00 0.00 O ATOM 1033 CB LYS A 67 0.104 -3.723 -11.917 1.00 0.00 C ATOM 1034 CG LYS A 67 1.290 -4.655 -12.098 1.00 0.00 C ATOM 1035 CD LYS A 67 1.701 -4.757 -13.557 1.00 0.00 C ATOM 1036 CE LYS A 67 0.972 -5.891 -14.263 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.782 -5.610 -15.713 1.00 0.00 N ATOM 0 H LYS A 67 1.888 -3.247 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.659 -2.246 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.815 -4.278 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.157 -2.932 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.131 -4.294 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.037 -5.646 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.488 -3.815 -14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.777 -4.918 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.536 -6.816 -14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.001 -6.047 -13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.282 -6.406 -16.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.222 -4.741 -15.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.709 -5.486 -16.167 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.766 -4.469 -9.657 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.387 -5.437 -8.762 1.00 0.00 C ATOM 1053 C ALA A 68 -2.642 -6.760 -9.475 1.00 0.00 C ATOM 1054 O ALA A 68 -3.346 -6.807 -10.485 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.687 -4.879 -8.200 1.00 0.00 C ATOM 0 H ALA A 68 -2.386 -4.105 -10.381 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.699 -5.625 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.140 -5.613 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.480 -3.964 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.373 -4.660 -9.018 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.066 -7.834 -8.945 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.231 -9.159 -9.532 1.00 0.00 C ATOM 1063 C VAL A 69 -2.753 -10.154 -8.502 1.00 0.00 C ATOM 1064 O VAL A 69 -2.430 -10.067 -7.318 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.905 -9.685 -10.112 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -1.076 -11.104 -10.634 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.401 -8.761 -11.210 1.00 0.00 C ATOM 0 H VAL A 69 -1.481 -7.813 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.957 -9.060 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.162 -9.704 -9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.129 -11.459 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.389 -11.756 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.833 -11.115 -11.418 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.537 -9.148 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.141 -8.708 -12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.238 -7.764 -10.800 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.043 -8.866 -4.354 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.610 -8.811 -4.616 1.00 0.00 C ATOM 1225 C VAL A 79 -0.257 -7.611 -5.488 1.00 0.00 C ATOM 1226 O VAL A 79 -1.017 -7.235 -6.382 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.116 -10.096 -5.306 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.404 -10.158 -5.294 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.713 -11.324 -4.636 1.00 0.00 C ATOM 0 HA VAL A 79 -0.115 -8.713 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.447 -10.080 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.735 -11.073 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.808 -9.295 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.760 -10.151 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.353 -12.223 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.414 -11.348 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.800 -11.282 -4.703 1.00 0.00 H new ATOM 1239 N TYR A 80 0.899 -7.014 -5.223 1.00 0.00 N ATOM 1240 CA TYR A 80 1.353 -5.855 -5.983 1.00 0.00 C ATOM 1241 C TYR A 80 2.751 -6.085 -6.546 1.00 0.00 C ATOM 1242 O TYR A 80 3.562 -6.796 -5.952 1.00 0.00 O ATOM 1243 CB TYR A 80 1.346 -4.606 -5.100 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.037 -4.186 -4.655 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.609 -4.716 -3.505 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.772 -3.260 -5.385 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -1.872 -4.336 -3.095 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.035 -2.873 -4.982 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.581 -3.413 -3.837 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.840 -3.032 -3.433 1.00 0.00 O ATOM 0 H TYR A 80 1.539 -7.313 -4.488 1.00 0.00 H new ATOM 0 HA TYR A 80 0.666 -5.708 -6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.961 -4.791 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.808 -3.783 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.056 -5.438 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.348 -2.836 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.302 -4.759 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.592 -2.151 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.201 -2.375 -4.064 1.00 0.00 H new ATOM 1260 N MET A 81 3.026 -5.479 -7.696 1.00 0.00 N ATOM 1261 CA MET A 81 4.328 -5.616 -8.340 1.00 0.00 C ATOM 1262 C MET A 81 4.536 -4.523 -9.383 1.00 0.00 C ATOM 1263 O MET A 81 3.608 -3.786 -9.719 1.00 0.00 O ATOM 1264 CB MET A 81 4.454 -6.993 -8.995 1.00 0.00 C ATOM 1265 CG MET A 81 3.776 -7.084 -10.353 1.00 0.00 C ATOM 1266 SD MET A 81 4.135 -8.632 -11.206 1.00 0.00 S ATOM 1267 CE MET A 81 2.833 -9.682 -10.565 1.00 0.00 C ATOM 0 H MET A 81 2.365 -4.888 -8.201 1.00 0.00 H new ATOM 0 HA MET A 81 5.097 -5.514 -7.574 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.510 -7.237 -9.108 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.023 -7.743 -8.332 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.698 -6.986 -10.224 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.100 -6.248 -10.973 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.457 -10.324 -11.362 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.228 -10.299 -9.758 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.021 -9.063 -10.184 1.00 0.00 H new ATOM 1277 N LEU A 82 5.759 -4.423 -9.892 1.00 0.00 N ATOM 1278 CA LEU A 82 6.090 -3.418 -10.897 1.00 0.00 C ATOM 1279 C LEU A 82 5.054 -3.407 -12.017 1.00 0.00 C ATOM 1280 O LEU A 82 4.551 -4.455 -12.421 1.00 0.00 O ATOM 1281 CB LEU A 82 7.480 -3.686 -11.476 1.00 0.00 C ATOM 1282 CG LEU A 82 8.661 -3.187 -10.644 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.926 -3.952 -10.999 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.864 -1.693 -10.849 1.00 0.00 C ATOM 0 H LEU A 82 6.538 -5.025 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 82 6.087 -2.441 -10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.591 -4.761 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.536 -3.225 -12.462 1.00 0.00 H new ATOM 0 HG LEU A 82 8.439 -3.363 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.756 -3.583 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.777 -5.013 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.153 -3.809 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.709 -1.355 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.064 -1.494 -11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.965 -1.158 -10.543 1.00 0.00 H new ATOM 1296 N TYR A 83 4.741 -2.216 -12.514 1.00 0.00 N ATOM 1297 CA TYR A 83 3.765 -2.068 -13.587 1.00 0.00 C ATOM 1298 C TYR A 83 4.290 -2.669 -14.888 1.00 0.00 C ATOM 1299 O TYR A 83 3.564 -3.357 -15.603 1.00 0.00 O ATOM 1300 CB TYR A 83 3.425 -0.591 -13.795 1.00 0.00 C ATOM 1301 CG TYR A 83 2.283 -0.363 -14.760 1.00 0.00 C ATOM 1302 CD1 TYR A 83 0.990 -0.760 -14.444 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.498 0.252 -15.988 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -0.055 -0.554 -15.323 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.458 0.463 -16.872 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.183 0.058 -16.535 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.856 0.266 -17.413 1.00 0.00 O ATOM 0 H TYR A 83 5.149 -1.339 -12.191 1.00 0.00 H new ATOM 0 HA TYR A 83 2.861 -2.605 -13.299 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.171 -0.146 -12.833 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.310 -0.071 -14.163 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.799 -1.238 -13.495 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.495 0.570 -16.255 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.054 -0.871 -15.062 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.642 0.943 -17.822 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.519 0.709 -18.220 1.00 0.00 H new ATOM 1317 N ASN A 84 5.557 -2.402 -15.186 1.00 0.00 N ATOM 1318 CA ASN A 84 6.181 -2.916 -16.400 1.00 0.00 C ATOM 1319 C ASN A 84 6.181 -4.442 -16.408 1.00 0.00 C ATOM 1320 O ASN A 84 6.023 -5.068 -17.456 1.00 0.00 O ATOM 1321 CB ASN A 84 7.614 -2.394 -16.522 1.00 0.00 C ATOM 1322 CG ASN A 84 7.674 -1.005 -17.127 1.00 0.00 C ATOM 1323 OD1 ASN A 84 7.256 -0.793 -18.266 1.00 0.00 O ATOM 1324 ND2 ASN A 84 8.196 -0.050 -16.366 1.00 0.00 N ATOM 0 H ASN A 84 6.172 -1.833 -14.604 1.00 0.00 H new ATOM 0 HA ASN A 84 5.600 -2.566 -17.253 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.077 -2.378 -15.535 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.197 -3.080 -17.136 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.263 0.904 -16.720 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.530 -0.271 -15.428 1.00 0.00 H new