USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 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= -1.14 K(o=-1.1,f=-2.5!) 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= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) 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 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -43:sc= -0.862! USER MOD Single : A 47 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.21) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.473 F(o=-3.5,f=-0.47) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.291 (180deg=-1.53!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.774 K(o=0.77,f=-0.36) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.0683 (180deg=-0.405) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.058) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -0.617 (180deg=-2.31!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 140:sc= -2 (180deg=-4.36!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.061 K(o=-0.061,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.522 8.384 1.990 1.00 0.00 N ATOM 243 CA GLN A 21 6.695 7.246 2.377 1.00 0.00 C ATOM 244 C GLN A 21 6.296 6.424 1.157 1.00 0.00 C ATOM 245 O GLN A 21 6.399 5.197 1.163 1.00 0.00 O ATOM 246 CB GLN A 21 5.444 7.726 3.115 1.00 0.00 C ATOM 247 CG GLN A 21 5.714 8.177 4.541 1.00 0.00 C ATOM 248 CD GLN A 21 4.445 8.536 5.290 1.00 0.00 C ATOM 249 OE1 GLN A 21 4.300 8.226 6.473 1.00 0.00 O ATOM 250 NE2 GLN A 21 3.518 9.193 4.603 1.00 0.00 N ATOM 0 HA GLN A 21 7.281 6.613 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.999 8.552 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.710 6.920 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.235 7.383 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.379 9.041 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.681 9.429 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.643 9.461 5.054 1.00 0.00 H new ATOM 259 N GLU A 22 5.841 7.107 0.111 1.00 0.00 N ATOM 260 CA GLU A 22 5.426 6.437 -1.116 1.00 0.00 C ATOM 261 C GLU A 22 6.618 5.787 -1.811 1.00 0.00 C ATOM 262 O GLU A 22 6.456 4.889 -2.638 1.00 0.00 O ATOM 263 CB GLU A 22 4.750 7.432 -2.062 1.00 0.00 C ATOM 264 CG GLU A 22 4.116 6.780 -3.280 1.00 0.00 C ATOM 265 CD GLU A 22 4.061 7.709 -4.477 1.00 0.00 C ATOM 266 OE1 GLU A 22 3.686 8.886 -4.297 1.00 0.00 O ATOM 267 OE2 GLU A 22 4.393 7.258 -5.593 1.00 0.00 O ATOM 0 H GLU A 22 5.751 8.123 0.089 1.00 0.00 H new ATOM 0 HA GLU A 22 4.713 5.656 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.984 7.979 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.487 8.163 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.681 5.886 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.106 6.456 -3.030 1.00 0.00 H new ATOM 274 N LYS A 23 7.817 6.247 -1.471 1.00 0.00 N ATOM 275 CA LYS A 23 9.039 5.712 -2.060 1.00 0.00 C ATOM 276 C LYS A 23 9.470 4.433 -1.350 1.00 0.00 C ATOM 277 O LYS A 23 9.602 3.379 -1.973 1.00 0.00 O ATOM 278 CB LYS A 23 10.161 6.750 -1.991 1.00 0.00 C ATOM 279 CG LYS A 23 10.214 7.670 -3.198 1.00 0.00 C ATOM 280 CD LYS A 23 11.260 8.759 -3.025 1.00 0.00 C ATOM 281 CE LYS A 23 12.627 8.301 -3.509 1.00 0.00 C ATOM 282 NZ LYS A 23 12.758 8.416 -4.988 1.00 0.00 N ATOM 0 H LYS A 23 7.969 6.990 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 23 8.836 5.476 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.033 7.352 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.116 6.234 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.439 7.087 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.236 8.125 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.956 9.648 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.321 9.043 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.402 8.898 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.791 7.266 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.703 8.094 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.035 7.826 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.627 9.408 -5.272 1.00 0.00 H new ATOM 296 N LEU A 24 9.688 4.533 -0.043 1.00 0.00 N ATOM 297 CA LEU A 24 10.104 3.383 0.753 1.00 0.00 C ATOM 298 C LEU A 24 9.234 2.167 0.449 1.00 0.00 C ATOM 299 O LEU A 24 9.707 1.031 0.469 1.00 0.00 O ATOM 300 CB LEU A 24 10.031 3.717 2.244 1.00 0.00 C ATOM 301 CG LEU A 24 10.199 2.539 3.205 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.599 1.955 3.094 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.911 2.972 4.635 1.00 0.00 C ATOM 0 H LEU A 24 9.584 5.398 0.488 1.00 0.00 H new ATOM 0 HA LEU A 24 11.135 3.144 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.800 4.456 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.069 4.188 2.444 1.00 0.00 H new ATOM 0 HG LEU A 24 9.482 1.765 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.700 1.118 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.768 1.607 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.334 2.721 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.035 2.121 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.603 3.764 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.888 3.342 4.704 1.00 0.00 H new ATOM 315 N VAL A 25 7.959 2.414 0.167 1.00 0.00 N ATOM 316 CA VAL A 25 7.023 1.341 -0.144 1.00 0.00 C ATOM 317 C VAL A 25 7.253 0.801 -1.552 1.00 0.00 C ATOM 318 O VAL A 25 7.230 -0.409 -1.775 1.00 0.00 O ATOM 319 CB VAL A 25 5.563 1.816 -0.021 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.603 0.676 -0.328 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.303 2.384 1.366 1.00 0.00 C ATOM 0 H VAL A 25 7.551 3.348 0.148 1.00 0.00 H new ATOM 0 HA VAL A 25 7.201 0.546 0.581 1.00 0.00 H new ATOM 0 HB VAL A 25 5.394 2.608 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.576 1.030 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.774 0.320 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.770 -0.140 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.267 2.715 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.489 1.614 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.967 3.230 1.543 1.00 0.00 H new ATOM 331 N TYR A 26 7.476 1.707 -2.497 1.00 0.00 N ATOM 332 CA TYR A 26 7.709 1.323 -3.884 1.00 0.00 C ATOM 333 C TYR A 26 8.975 0.481 -4.011 1.00 0.00 C ATOM 334 O TYR A 26 9.052 -0.421 -4.844 1.00 0.00 O ATOM 335 CB TYR A 26 7.820 2.567 -4.768 1.00 0.00 C ATOM 336 CG TYR A 26 8.333 2.276 -6.160 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.493 1.757 -7.138 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.658 2.522 -6.499 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.958 1.489 -8.411 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.131 2.259 -7.770 1.00 0.00 C ATOM 341 CZ TYR A 26 9.278 1.742 -8.722 1.00 0.00 C ATOM 342 OH TYR A 26 9.744 1.478 -9.989 1.00 0.00 O ATOM 0 H TYR A 26 7.500 2.713 -2.328 1.00 0.00 H new ATOM 0 HA TYR A 26 6.861 0.724 -4.216 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.840 3.039 -4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.484 3.286 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.459 1.560 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.330 2.926 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.292 1.084 -9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.164 2.457 -8.017 1.00 0.00 H new ATOM 0 HH TYR A 26 10.694 1.713 -10.044 1.00 0.00 H new ATOM 352 N GLN A 27 9.965 0.783 -3.177 1.00 0.00 N ATOM 353 CA GLN A 27 11.228 0.055 -3.195 1.00 0.00 C ATOM 354 C GLN A 27 11.049 -1.358 -2.650 1.00 0.00 C ATOM 355 O GLN A 27 11.814 -2.264 -2.983 1.00 0.00 O ATOM 356 CB GLN A 27 12.282 0.800 -2.375 1.00 0.00 C ATOM 357 CG GLN A 27 12.722 2.115 -3.001 1.00 0.00 C ATOM 358 CD GLN A 27 13.745 1.923 -4.102 1.00 0.00 C ATOM 359 OE1 GLN A 27 14.951 1.988 -3.863 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.269 1.685 -5.319 1.00 0.00 N ATOM 0 H GLN A 27 9.917 1.527 -2.481 1.00 0.00 H new ATOM 0 HA GLN A 27 11.564 -0.014 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.884 0.996 -1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.153 0.157 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.851 2.630 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.142 2.758 -2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.262 1.639 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.911 1.548 -6.100 1.00 0.00 H new ATOM 369 N ILE A 28 10.034 -1.540 -1.811 1.00 0.00 N ATOM 370 CA ILE A 28 9.755 -2.843 -1.221 1.00 0.00 C ATOM 371 C ILE A 28 8.950 -3.718 -2.176 1.00 0.00 C ATOM 372 O ILE A 28 9.050 -4.945 -2.143 1.00 0.00 O ATOM 373 CB ILE A 28 8.985 -2.707 0.106 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.864 -2.040 1.165 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.512 -4.071 0.585 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.081 -1.251 2.191 1.00 0.00 C ATOM 0 H ILE A 28 9.392 -0.801 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 28 10.718 -3.314 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 28 8.110 -2.078 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.448 -2.806 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.573 -1.375 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.970 -3.959 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.854 -4.512 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.373 -4.721 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.769 -0.806 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.518 -0.463 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.391 -1.915 2.712 1.00 0.00 H new ATOM 388 N ILE A 29 8.154 -3.078 -3.027 1.00 0.00 N ATOM 389 CA ILE A 29 7.334 -3.798 -3.993 1.00 0.00 C ATOM 390 C ILE A 29 8.189 -4.381 -5.113 1.00 0.00 C ATOM 391 O ILE A 29 8.048 -5.550 -5.470 1.00 0.00 O ATOM 392 CB ILE A 29 6.256 -2.886 -4.607 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.307 -2.378 -3.520 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.484 -3.630 -5.686 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.395 -1.265 -3.985 1.00 0.00 C ATOM 0 H ILE A 29 8.060 -2.063 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 29 6.847 -4.609 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 29 6.746 -2.027 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.699 -3.209 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.894 -2.025 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.726 -2.972 -6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.170 -3.947 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.002 -4.505 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.751 -0.955 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.995 -0.417 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.781 -1.620 -4.813 1.00 0.00 H new ATOM 407 N GLU A 30 9.077 -3.558 -5.663 1.00 0.00 N ATOM 408 CA GLU A 30 9.955 -3.992 -6.742 1.00 0.00 C ATOM 409 C GLU A 30 10.922 -5.069 -6.257 1.00 0.00 C ATOM 410 O GLU A 30 11.431 -5.864 -7.047 1.00 0.00 O ATOM 411 CB GLU A 30 10.739 -2.803 -7.302 1.00 0.00 C ATOM 412 CG GLU A 30 11.853 -2.324 -6.388 1.00 0.00 C ATOM 413 CD GLU A 30 12.774 -1.326 -7.064 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.265 -0.442 -7.785 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.004 -1.430 -6.873 1.00 0.00 O ATOM 0 H GLU A 30 9.207 -2.587 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 30 9.334 -4.414 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.166 -3.081 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.050 -1.978 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.418 -1.867 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.436 -3.181 -6.052 1.00 0.00 H new ATOM 422 N ASP A 31 11.171 -5.087 -4.952 1.00 0.00 N ATOM 423 CA ASP A 31 12.076 -6.065 -4.359 1.00 0.00 C ATOM 424 C ASP A 31 11.472 -7.466 -4.412 1.00 0.00 C ATOM 425 O ASP A 31 12.179 -8.449 -4.631 1.00 0.00 O ATOM 426 CB ASP A 31 12.393 -5.688 -2.912 1.00 0.00 C ATOM 427 CG ASP A 31 13.604 -4.782 -2.801 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.434 -4.786 -3.734 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.720 -4.070 -1.783 1.00 0.00 O ATOM 0 H ASP A 31 10.759 -4.435 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 31 13.000 -6.064 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.529 -5.190 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.567 -6.595 -2.333 1.00 0.00 H new ATOM 434 N ALA A 32 10.161 -7.548 -4.210 1.00 0.00 N ATOM 435 CA ALA A 32 9.463 -8.827 -4.235 1.00 0.00 C ATOM 436 C ALA A 32 9.666 -9.537 -5.570 1.00 0.00 C ATOM 437 O ALA A 32 9.787 -10.760 -5.621 1.00 0.00 O ATOM 438 CB ALA A 32 7.980 -8.624 -3.964 1.00 0.00 C ATOM 0 H ALA A 32 9.561 -6.744 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 32 9.882 -9.457 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.471 -9.588 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.849 -8.166 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.556 -7.973 -4.728 1.00 0.00 H new ATOM 444 N GLY A 33 9.701 -8.760 -6.649 1.00 0.00 N ATOM 445 CA GLY A 33 9.889 -9.333 -7.969 1.00 0.00 C ATOM 446 C GLY A 33 8.584 -9.775 -8.600 1.00 0.00 C ATOM 447 O GLY A 33 7.506 -9.402 -8.139 1.00 0.00 O ATOM 0 H GLY A 33 9.603 -7.745 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.371 -8.599 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.563 -10.187 -7.898 1.00 0.00 H new ATOM 451 N ASN A 34 8.681 -10.570 -9.660 1.00 0.00 N ATOM 452 CA ASN A 34 7.498 -11.061 -10.358 1.00 0.00 C ATOM 453 C ASN A 34 6.511 -11.691 -9.379 1.00 0.00 C ATOM 454 O ASN A 34 5.302 -11.480 -9.476 1.00 0.00 O ATOM 455 CB ASN A 34 7.896 -12.082 -11.425 1.00 0.00 C ATOM 456 CG ASN A 34 8.998 -11.569 -12.333 1.00 0.00 C ATOM 457 OD1 ASN A 34 8.816 -10.590 -13.057 1.00 0.00 O ATOM 458 ND2 ASN A 34 10.149 -12.231 -12.298 1.00 0.00 N ATOM 0 H ASN A 34 9.566 -10.888 -10.055 1.00 0.00 H new ATOM 0 HA ASN A 34 7.013 -10.212 -10.840 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.227 -13.000 -10.940 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.022 -12.335 -12.026 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.927 -11.933 -12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.255 -13.037 -11.682 1.00 0.00 H new ATOM 465 N LYS A 35 7.036 -12.466 -8.436 1.00 0.00 N ATOM 466 CA LYS A 35 6.204 -13.127 -7.437 1.00 0.00 C ATOM 467 C LYS A 35 5.267 -12.129 -6.763 1.00 0.00 C ATOM 468 O LYS A 35 4.256 -12.511 -6.176 1.00 0.00 O ATOM 469 CB LYS A 35 7.080 -13.811 -6.385 1.00 0.00 C ATOM 470 CG LYS A 35 8.273 -12.977 -5.952 1.00 0.00 C ATOM 471 CD LYS A 35 8.911 -13.531 -4.689 1.00 0.00 C ATOM 472 CE LYS A 35 9.989 -14.554 -5.012 1.00 0.00 C ATOM 473 NZ LYS A 35 10.532 -15.195 -3.782 1.00 0.00 N ATOM 0 H LYS A 35 8.035 -12.652 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 35 5.601 -13.880 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.471 -14.040 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.437 -14.761 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.011 -12.953 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.956 -11.948 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.344 -12.715 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.145 -13.992 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.577 -15.320 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.799 -14.068 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.264 -15.886 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.948 -14.467 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.764 -15.680 -3.275 1.00 0.00 H new ATOM 487 N GLY A 36 5.611 -10.847 -6.853 1.00 0.00 N ATOM 488 CA GLY A 36 4.790 -9.815 -6.249 1.00 0.00 C ATOM 489 C GLY A 36 4.872 -9.820 -4.735 1.00 0.00 C ATOM 490 O GLY A 36 5.620 -10.605 -4.151 1.00 0.00 O ATOM 0 H GLY A 36 6.444 -10.506 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.103 -8.840 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.753 -9.955 -6.554 1.00 0.00 H new ATOM 494 N ILE A 37 4.103 -8.943 -4.099 1.00 0.00 N ATOM 495 CA ILE A 37 4.093 -8.850 -2.645 1.00 0.00 C ATOM 496 C ILE A 37 2.683 -8.604 -2.119 1.00 0.00 C ATOM 497 O ILE A 37 1.833 -8.061 -2.825 1.00 0.00 O ATOM 498 CB ILE A 37 5.019 -7.724 -2.146 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.086 -7.729 -0.618 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.534 -6.375 -2.656 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.015 -6.679 -0.051 1.00 0.00 C ATOM 0 H ILE A 37 3.479 -8.287 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 37 4.458 -9.804 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 37 6.022 -7.899 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.085 -7.571 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.413 -8.712 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.198 -5.590 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.533 -6.377 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.523 -6.191 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.013 -6.741 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.026 -6.849 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.677 -5.690 -0.359 1.00 0.00 H new ATOM 513 N TRP A 38 2.443 -9.004 -0.876 1.00 0.00 N ATOM 514 CA TRP A 38 1.136 -8.825 -0.255 1.00 0.00 C ATOM 515 C TRP A 38 1.046 -7.474 0.446 1.00 0.00 C ATOM 516 O TRP A 38 1.884 -7.142 1.284 1.00 0.00 O ATOM 517 CB TRP A 38 0.865 -9.951 0.745 1.00 0.00 C ATOM 518 CG TRP A 38 -0.583 -10.088 1.107 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.656 -9.693 0.360 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.116 -10.659 2.307 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.824 -9.983 1.023 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.520 -10.578 2.219 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.545 -11.234 3.445 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.357 -11.048 3.228 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.377 -11.699 4.445 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.770 -11.605 4.331 1.00 0.00 C ATOM 0 H TRP A 38 3.136 -9.454 -0.278 1.00 0.00 H new ATOM 0 HA TRP A 38 0.381 -8.856 -1.041 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.218 -10.893 0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.443 -9.770 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.595 -9.222 -0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.765 -9.787 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.528 -11.314 3.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.431 -10.975 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.946 -12.143 5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.393 -11.980 5.130 1.00 0.00 H new ATOM 537 N SER A 39 0.025 -6.697 0.096 1.00 0.00 N ATOM 538 CA SER A 39 -0.171 -5.380 0.690 1.00 0.00 C ATOM 539 C SER A 39 0.246 -5.377 2.157 1.00 0.00 C ATOM 540 O SER A 39 0.760 -4.381 2.666 1.00 0.00 O ATOM 541 CB SER A 39 -1.635 -4.953 0.563 1.00 0.00 C ATOM 542 OG SER A 39 -2.005 -4.082 1.618 1.00 0.00 O ATOM 0 H SER A 39 -0.678 -6.957 -0.595 1.00 0.00 H new ATOM 0 HA SER A 39 0.456 -4.669 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.790 -4.456 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.276 -5.834 0.573 1.00 0.00 H new ATOM 0 HG SER A 39 -2.944 -3.822 1.514 1.00 0.00 H new ATOM 548 N ARG A 40 0.021 -6.500 2.832 1.00 0.00 N ATOM 549 CA ARG A 40 0.372 -6.628 4.241 1.00 0.00 C ATOM 550 C ARG A 40 1.886 -6.607 4.428 1.00 0.00 C ATOM 551 O ARG A 40 2.422 -5.756 5.138 1.00 0.00 O ATOM 552 CB ARG A 40 -0.206 -7.922 4.817 1.00 0.00 C ATOM 553 CG ARG A 40 -1.711 -7.877 5.025 1.00 0.00 C ATOM 554 CD ARG A 40 -2.145 -8.797 6.155 1.00 0.00 C ATOM 555 NE ARG A 40 -2.128 -8.120 7.449 1.00 0.00 N ATOM 556 CZ ARG A 40 -3.068 -7.270 7.846 1.00 0.00 C ATOM 557 NH1 ARG A 40 -4.095 -6.995 7.054 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.983 -6.694 9.038 1.00 0.00 N ATOM 0 H ARG A 40 -0.403 -7.334 2.425 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.055 -5.779 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.035 -8.747 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.278 -8.133 5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.018 -6.855 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.216 -8.168 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.150 -9.169 5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.485 -9.664 6.191 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.352 -8.310 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.165 -7.437 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.816 -6.342 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.195 -6.904 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.706 -6.041 9.342 1.00 0.00 H new ATOM 572 N ASP A 41 2.569 -7.550 3.788 1.00 0.00 N ATOM 573 CA ASP A 41 4.022 -7.639 3.883 1.00 0.00 C ATOM 574 C ASP A 41 4.653 -6.250 3.894 1.00 0.00 C ATOM 575 O ASP A 41 5.692 -6.034 4.517 1.00 0.00 O ATOM 576 CB ASP A 41 4.581 -8.458 2.718 1.00 0.00 C ATOM 577 CG ASP A 41 6.061 -8.748 2.872 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.760 -7.939 3.518 1.00 0.00 O ATOM 579 OD2 ASP A 41 6.521 -9.783 2.346 1.00 0.00 O ATOM 0 H ASP A 41 2.140 -8.263 3.198 1.00 0.00 H new ATOM 0 HA ASP A 41 4.270 -8.138 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.035 -9.399 2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.414 -7.919 1.786 1.00 0.00 H new ATOM 584 N VAL A 42 4.017 -5.312 3.200 1.00 0.00 N ATOM 585 CA VAL A 42 4.516 -3.943 3.130 1.00 0.00 C ATOM 586 C VAL A 42 4.374 -3.237 4.474 1.00 0.00 C ATOM 587 O VAL A 42 5.345 -2.703 5.011 1.00 0.00 O ATOM 588 CB VAL A 42 3.773 -3.130 2.054 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.434 -1.774 1.857 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.720 -3.902 0.744 1.00 0.00 C ATOM 0 H VAL A 42 3.156 -5.474 2.678 1.00 0.00 H new ATOM 0 HA VAL A 42 5.572 -4.003 2.865 1.00 0.00 H new ATOM 0 HB VAL A 42 2.750 -2.963 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.895 -1.214 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.414 -1.220 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.468 -1.916 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.191 -3.312 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.734 -4.102 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.196 -4.845 0.899 1.00 0.00 H new ATOM 600 N ARG A 43 3.159 -3.240 5.012 1.00 0.00 N ATOM 601 CA ARG A 43 2.890 -2.599 6.293 1.00 0.00 C ATOM 602 C ARG A 43 4.086 -2.734 7.231 1.00 0.00 C ATOM 603 O ARG A 43 4.493 -1.769 7.878 1.00 0.00 O ATOM 604 CB ARG A 43 1.647 -3.210 6.943 1.00 0.00 C ATOM 605 CG ARG A 43 0.354 -2.507 6.565 1.00 0.00 C ATOM 606 CD ARG A 43 -0.830 -3.065 7.339 1.00 0.00 C ATOM 607 NE ARG A 43 -0.653 -2.930 8.782 1.00 0.00 N ATOM 608 CZ ARG A 43 0.008 -3.809 9.527 1.00 0.00 C ATOM 609 NH1 ARG A 43 0.552 -4.881 8.967 1.00 0.00 N ATOM 610 NH2 ARG A 43 0.127 -3.616 10.834 1.00 0.00 N ATOM 0 H ARG A 43 2.346 -3.679 4.581 1.00 0.00 H new ATOM 0 HA ARG A 43 2.712 -1.539 6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.577 -4.260 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.763 -3.182 8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.448 -1.439 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.177 -2.619 5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.739 -2.546 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.964 -4.117 7.087 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.059 -2.116 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.463 -5.032 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.059 -5.555 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.289 -2.792 11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.635 -4.292 11.405 1.00 0.00 H new ATOM 624 N TYR A 44 4.644 -3.938 7.299 1.00 0.00 N ATOM 625 CA TYR A 44 5.791 -4.201 8.160 1.00 0.00 C ATOM 626 C TYR A 44 7.055 -3.561 7.594 1.00 0.00 C ATOM 627 O TYR A 44 7.728 -2.782 8.270 1.00 0.00 O ATOM 628 CB TYR A 44 5.998 -5.708 8.323 1.00 0.00 C ATOM 629 CG TYR A 44 4.708 -6.494 8.379 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.050 -6.872 7.216 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.147 -6.859 9.597 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.871 -7.590 7.263 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.968 -7.578 9.654 1.00 0.00 C ATOM 634 CZ TYR A 44 2.334 -7.940 8.484 1.00 0.00 C ATOM 635 OH TYR A 44 1.160 -8.656 8.535 1.00 0.00 O ATOM 0 H TYR A 44 4.321 -4.747 6.768 1.00 0.00 H new ATOM 0 HA TYR A 44 5.589 -3.761 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.602 -6.075 7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.565 -5.892 9.235 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.467 -6.600 6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.641 -6.576 10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.372 -7.876 6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.546 -7.855 10.609 1.00 0.00 H new ATOM 0 HH TYR A 44 0.918 -8.822 9.470 1.00 0.00 H new ATOM 645 N LYS A 45 7.371 -3.894 6.347 1.00 0.00 N ATOM 646 CA LYS A 45 8.553 -3.352 5.686 1.00 0.00 C ATOM 647 C LYS A 45 8.514 -1.828 5.667 1.00 0.00 C ATOM 648 O LYS A 45 9.371 -1.168 6.255 1.00 0.00 O ATOM 649 CB LYS A 45 8.653 -3.888 4.256 1.00 0.00 C ATOM 650 CG LYS A 45 8.810 -5.397 4.182 1.00 0.00 C ATOM 651 CD LYS A 45 9.932 -5.886 5.082 1.00 0.00 C ATOM 652 CE LYS A 45 10.446 -7.249 4.642 1.00 0.00 C ATOM 653 NZ LYS A 45 11.615 -7.689 5.452 1.00 0.00 N ATOM 0 H LYS A 45 6.825 -4.537 5.773 1.00 0.00 H new ATOM 0 HA LYS A 45 9.431 -3.669 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.759 -3.597 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.502 -3.418 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.875 -5.876 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.013 -5.692 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.750 -5.166 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.575 -5.945 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.646 -7.984 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.728 -7.208 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.935 -8.622 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.388 -7.001 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.340 -7.753 6.453 1.00 0.00 H new ATOM 667 N SER A 46 7.514 -1.274 4.990 1.00 0.00 N ATOM 668 CA SER A 46 7.365 0.174 4.893 1.00 0.00 C ATOM 669 C SER A 46 7.143 0.790 6.270 1.00 0.00 C ATOM 670 O SER A 46 7.168 2.010 6.428 1.00 0.00 O ATOM 671 CB SER A 46 6.198 0.527 3.969 1.00 0.00 C ATOM 672 OG SER A 46 4.983 -0.024 4.449 1.00 0.00 O ATOM 0 H SER A 46 6.794 -1.806 4.500 1.00 0.00 H new ATOM 0 HA SER A 46 8.285 0.582 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.105 1.610 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.399 0.153 2.965 1.00 0.00 H new ATOM 0 HG SER A 46 5.138 -0.943 4.752 1.00 0.00 H new ATOM 678 N ASN A 47 6.926 -0.063 7.266 1.00 0.00 N ATOM 679 CA ASN A 47 6.699 0.397 8.631 1.00 0.00 C ATOM 680 C ASN A 47 5.628 1.482 8.668 1.00 0.00 C ATOM 681 O ASN A 47 5.699 2.413 9.472 1.00 0.00 O ATOM 682 CB ASN A 47 8.001 0.928 9.236 1.00 0.00 C ATOM 683 CG ASN A 47 8.823 -0.166 9.888 1.00 0.00 C ATOM 684 OD1 ASN A 47 8.322 -0.924 10.719 1.00 0.00 O ATOM 685 ND2 ASN A 47 10.095 -0.253 9.515 1.00 0.00 N ATOM 0 H ASN A 47 6.903 -1.076 7.153 1.00 0.00 H new ATOM 0 HA ASN A 47 6.352 -0.451 9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.592 1.407 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.769 1.694 9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.698 -0.969 9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.469 0.396 8.823 1.00 0.00 H new ATOM 692 N LEU A 48 4.636 1.357 7.794 1.00 0.00 N ATOM 693 CA LEU A 48 3.548 2.327 7.726 1.00 0.00 C ATOM 694 C LEU A 48 2.209 1.665 8.033 1.00 0.00 C ATOM 695 O LEU A 48 2.035 0.456 7.877 1.00 0.00 O ATOM 696 CB LEU A 48 3.504 2.977 6.343 1.00 0.00 C ATOM 697 CG LEU A 48 4.566 4.041 6.067 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.607 4.384 4.585 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.301 5.289 6.897 1.00 0.00 C ATOM 0 H LEU A 48 4.562 0.593 7.122 1.00 0.00 H new ATOM 0 HA LEU A 48 3.732 3.096 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.600 2.193 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.522 3.429 6.207 1.00 0.00 H new ATOM 0 HG LEU A 48 5.538 3.638 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.369 5.143 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.846 3.489 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.635 4.766 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.067 6.035 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.321 5.694 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.324 5.033 7.956 1.00 0.00 H new ATOM 711 N PRO A 49 1.236 2.475 8.478 1.00 0.00 N ATOM 712 CA PRO A 49 -0.106 1.990 8.814 1.00 0.00 C ATOM 713 C PRO A 49 -0.893 1.562 7.580 1.00 0.00 C ATOM 714 O PRO A 49 -0.613 2.010 6.466 1.00 0.00 O ATOM 715 CB PRO A 49 -0.766 3.203 9.475 1.00 0.00 C ATOM 716 CG PRO A 49 -0.043 4.379 8.916 1.00 0.00 C ATOM 717 CD PRO A 49 1.373 3.926 8.688 1.00 0.00 C ATOM 0 HA PRO A 49 -0.073 1.106 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.831 3.248 9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.674 3.161 10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.501 4.712 7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.077 5.222 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.818 4.417 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.010 4.150 9.544 1.00 0.00 H new ATOM 725 N LEU A 50 -1.878 0.695 7.783 1.00 0.00 N ATOM 726 CA LEU A 50 -2.706 0.206 6.686 1.00 0.00 C ATOM 727 C LEU A 50 -3.195 1.361 5.818 1.00 0.00 C ATOM 728 O LEU A 50 -3.112 1.308 4.590 1.00 0.00 O ATOM 729 CB LEU A 50 -3.901 -0.577 7.233 1.00 0.00 C ATOM 730 CG LEU A 50 -4.765 -1.295 6.195 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.651 -0.301 5.460 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.891 -2.062 5.213 1.00 0.00 C ATOM 0 H LEU A 50 -2.123 0.316 8.698 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.097 -0.456 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.531 -1.317 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.536 0.111 7.792 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.406 -2.008 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.259 -0.829 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.302 0.204 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.028 0.436 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.522 -2.567 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.225 -1.368 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.299 -2.801 5.753 1.00 0.00 H new ATOM 744 N THR A 51 -3.705 2.406 6.463 1.00 0.00 N ATOM 745 CA THR A 51 -4.206 3.574 5.751 1.00 0.00 C ATOM 746 C THR A 51 -3.133 4.170 4.847 1.00 0.00 C ATOM 747 O THR A 51 -3.440 4.850 3.869 1.00 0.00 O ATOM 748 CB THR A 51 -4.700 4.658 6.727 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.475 5.635 6.023 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.528 5.337 7.420 1.00 0.00 C ATOM 0 H THR A 51 -3.782 2.467 7.478 1.00 0.00 H new ATOM 0 HA THR A 51 -5.044 3.236 5.141 1.00 0.00 H new ATOM 0 HB THR A 51 -5.321 4.178 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.787 6.320 6.651 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.902 6.099 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.957 4.596 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.885 5.804 6.674 1.00 0.00 H new ATOM 758 N GLU A 52 -1.873 3.910 5.182 1.00 0.00 N ATOM 759 CA GLU A 52 -0.754 4.422 4.400 1.00 0.00 C ATOM 760 C GLU A 52 -0.405 3.469 3.261 1.00 0.00 C ATOM 761 O GLU A 52 -0.095 3.900 2.150 1.00 0.00 O ATOM 762 CB GLU A 52 0.469 4.633 5.295 1.00 0.00 C ATOM 763 CG GLU A 52 0.520 6.007 5.943 1.00 0.00 C ATOM 764 CD GLU A 52 0.617 7.128 4.926 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.546 7.093 4.092 1.00 0.00 O ATOM 766 OE2 GLU A 52 -0.235 8.040 4.965 1.00 0.00 O ATOM 0 H GLU A 52 -1.602 3.348 5.989 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.052 5.379 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.473 3.872 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.372 4.486 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.372 6.151 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.377 6.056 6.615 1.00 0.00 H new ATOM 773 N ILE A 53 -0.459 2.172 3.545 1.00 0.00 N ATOM 774 CA ILE A 53 -0.150 1.158 2.545 1.00 0.00 C ATOM 775 C ILE A 53 -1.237 1.087 1.478 1.00 0.00 C ATOM 776 O ILE A 53 -0.966 0.777 0.320 1.00 0.00 O ATOM 777 CB ILE A 53 0.016 -0.233 3.185 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.387 -0.350 3.856 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.163 -1.323 2.139 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.609 0.663 4.957 1.00 0.00 C ATOM 0 H ILE A 53 -0.714 1.799 4.459 1.00 0.00 H new ATOM 0 HA ILE A 53 0.792 1.451 2.082 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.753 -0.359 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.496 -1.353 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.164 -0.230 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.043 -2.300 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.160 -1.249 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.585 -1.202 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.600 0.521 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.532 1.670 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.854 0.529 5.732 1.00 0.00 H new ATOM 792 N ASN A 54 -2.471 1.380 1.879 1.00 0.00 N ATOM 793 CA ASN A 54 -3.601 1.351 0.957 1.00 0.00 C ATOM 794 C ASN A 54 -3.552 2.538 -0.001 1.00 0.00 C ATOM 795 O ASN A 54 -3.704 2.379 -1.212 1.00 0.00 O ATOM 796 CB ASN A 54 -4.919 1.362 1.733 1.00 0.00 C ATOM 797 CG ASN A 54 -5.353 -0.028 2.155 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.398 -0.837 2.600 1.00 0.00 O flip ATOM 799 ND2 ASN A 54 -6.533 -0.371 2.082 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.713 1.640 2.835 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.538 0.433 0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.812 1.990 2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.697 1.811 1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.234 0.283 1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.810 -1.310 2.370 1.00 0.00 H new ATOM 806 N LYS A 55 -3.337 3.728 0.551 1.00 0.00 N ATOM 807 CA LYS A 55 -3.265 4.942 -0.253 1.00 0.00 C ATOM 808 C LYS A 55 -1.986 4.971 -1.082 1.00 0.00 C ATOM 809 O LYS A 55 -1.982 5.449 -2.217 1.00 0.00 O ATOM 810 CB LYS A 55 -3.330 6.178 0.647 1.00 0.00 C ATOM 811 CG LYS A 55 -2.043 6.445 1.408 1.00 0.00 C ATOM 812 CD LYS A 55 -2.172 7.658 2.314 1.00 0.00 C ATOM 813 CE LYS A 55 -1.772 8.937 1.595 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.833 9.404 0.661 1.00 0.00 N ATOM 0 H LYS A 55 -3.210 3.877 1.552 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.117 4.949 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.569 7.049 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.145 6.055 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.784 5.570 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.228 6.602 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.200 7.743 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.545 7.523 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.565 9.716 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.849 8.768 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.797 10.441 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.680 8.982 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.765 9.116 1.022 1.00 0.00 H new ATOM 828 N ILE A 56 -0.903 4.456 -0.510 1.00 0.00 N ATOM 829 CA ILE A 56 0.381 4.421 -1.198 1.00 0.00 C ATOM 830 C ILE A 56 0.376 3.387 -2.319 1.00 0.00 C ATOM 831 O ILE A 56 0.682 3.701 -3.470 1.00 0.00 O ATOM 832 CB ILE A 56 1.533 4.103 -0.226 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.729 5.255 0.761 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.817 3.833 -0.996 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.385 4.835 2.058 1.00 0.00 C ATOM 0 H ILE A 56 -0.889 4.057 0.429 1.00 0.00 H new ATOM 0 HA ILE A 56 0.538 5.413 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 56 1.276 3.206 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.337 6.027 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.760 5.702 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.621 3.610 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.670 2.983 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.081 4.713 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.492 5.703 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.767 4.085 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.369 4.415 1.849 1.00 0.00 H new ATOM 847 N LEU A 57 0.025 2.152 -1.975 1.00 0.00 N ATOM 848 CA LEU A 57 -0.022 1.070 -2.953 1.00 0.00 C ATOM 849 C LEU A 57 -0.822 1.483 -4.184 1.00 0.00 C ATOM 850 O LEU A 57 -0.432 1.198 -5.316 1.00 0.00 O ATOM 851 CB LEU A 57 -0.638 -0.182 -2.327 1.00 0.00 C ATOM 852 CG LEU A 57 0.294 -1.024 -1.454 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.434 -2.248 -0.921 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.532 -1.436 -2.238 1.00 0.00 C ATOM 0 H LEU A 57 -0.231 1.875 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 57 0.999 0.849 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.493 0.121 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.022 -0.814 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 57 0.611 -0.418 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.245 -2.835 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.288 -1.931 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.782 -2.857 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.184 -2.034 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.234 -2.024 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.066 -0.545 -2.569 1.00 0.00 H new ATOM 866 N LYS A 58 -1.943 2.159 -3.955 1.00 0.00 N ATOM 867 CA LYS A 58 -2.797 2.616 -5.045 1.00 0.00 C ATOM 868 C LYS A 58 -2.095 3.684 -5.876 1.00 0.00 C ATOM 869 O LYS A 58 -1.837 3.490 -7.063 1.00 0.00 O ATOM 870 CB LYS A 58 -4.113 3.169 -4.492 1.00 0.00 C ATOM 871 CG LYS A 58 -5.275 3.059 -5.463 1.00 0.00 C ATOM 872 CD LYS A 58 -6.560 3.601 -4.859 1.00 0.00 C ATOM 873 CE LYS A 58 -7.599 3.895 -5.930 1.00 0.00 C ATOM 874 NZ LYS A 58 -8.217 2.648 -6.461 1.00 0.00 N ATOM 0 H LYS A 58 -2.281 2.402 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.010 1.762 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.365 2.636 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.973 4.216 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.041 3.608 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.417 2.016 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.962 2.879 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.345 4.512 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.376 4.537 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.133 4.446 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.919 2.891 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.479 2.046 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.684 2.135 -5.686 1.00 0.00 H new ATOM 888 N ASN A 59 -1.787 4.812 -5.244 1.00 0.00 N ATOM 889 CA ASN A 59 -1.113 5.911 -5.926 1.00 0.00 C ATOM 890 C ASN A 59 -0.121 5.384 -6.959 1.00 0.00 C ATOM 891 O ASN A 59 -0.120 5.816 -8.112 1.00 0.00 O ATOM 892 CB ASN A 59 -0.388 6.799 -4.913 1.00 0.00 C ATOM 893 CG ASN A 59 -1.259 7.935 -4.412 1.00 0.00 C ATOM 894 OD1 ASN A 59 -0.997 9.104 -4.694 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.302 7.594 -3.664 1.00 0.00 N ATOM 0 H ASN A 59 -1.993 4.989 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.868 6.503 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.065 6.192 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.511 7.210 -5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.924 8.314 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.481 6.612 -3.456 1.00 0.00 H new ATOM 902 N LEU A 60 0.722 4.448 -6.537 1.00 0.00 N ATOM 903 CA LEU A 60 1.719 3.860 -7.425 1.00 0.00 C ATOM 904 C LEU A 60 1.054 3.197 -8.627 1.00 0.00 C ATOM 905 O LEU A 60 1.504 3.354 -9.762 1.00 0.00 O ATOM 906 CB LEU A 60 2.565 2.836 -6.667 1.00 0.00 C ATOM 907 CG LEU A 60 3.409 3.384 -5.515 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.882 2.253 -4.615 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.595 4.172 -6.051 1.00 0.00 C ATOM 0 H LEU A 60 0.735 4.080 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 60 2.365 4.660 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.901 2.068 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.231 2.347 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 60 2.788 4.057 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.481 2.662 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.019 1.730 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.486 1.555 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.184 4.554 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.216 3.521 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.235 5.006 -6.654 1.00 0.00 H new ATOM 921 N GLU A 61 -0.020 2.457 -8.370 1.00 0.00 N ATOM 922 CA GLU A 61 -0.747 1.771 -9.432 1.00 0.00 C ATOM 923 C GLU A 61 -1.319 2.771 -10.433 1.00 0.00 C ATOM 924 O GLU A 61 -1.720 2.401 -11.536 1.00 0.00 O ATOM 925 CB GLU A 61 -1.874 0.921 -8.842 1.00 0.00 C ATOM 926 CG GLU A 61 -1.429 -0.466 -8.412 1.00 0.00 C ATOM 927 CD GLU A 61 -2.568 -1.467 -8.400 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.655 -1.134 -8.917 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.373 -2.583 -7.874 1.00 0.00 O ATOM 0 H GLU A 61 -0.406 2.317 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.047 1.120 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.297 1.440 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.670 0.825 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.648 -0.818 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.989 -0.410 -7.416 1.00 0.00 H new ATOM 936 N SER A 62 -1.355 4.040 -10.038 1.00 0.00 N ATOM 937 CA SER A 62 -1.882 5.093 -10.897 1.00 0.00 C ATOM 938 C SER A 62 -0.755 5.799 -11.646 1.00 0.00 C ATOM 939 O SER A 62 -0.960 6.344 -12.730 1.00 0.00 O ATOM 940 CB SER A 62 -2.673 6.108 -10.069 1.00 0.00 C ATOM 941 OG SER A 62 -3.654 6.757 -10.860 1.00 0.00 O ATOM 0 H SER A 62 -1.025 4.363 -9.128 1.00 0.00 H new ATOM 0 HA SER A 62 -2.547 4.633 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.153 5.603 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.992 6.848 -9.648 1.00 0.00 H new ATOM 0 HG SER A 62 -4.147 7.399 -10.308 1.00 0.00 H new ATOM 947 N LYS A 63 0.437 5.784 -11.059 1.00 0.00 N ATOM 948 CA LYS A 63 1.598 6.420 -11.668 1.00 0.00 C ATOM 949 C LYS A 63 2.289 5.471 -12.644 1.00 0.00 C ATOM 950 O LYS A 63 3.345 5.788 -13.191 1.00 0.00 O ATOM 951 CB LYS A 63 2.587 6.866 -10.588 1.00 0.00 C ATOM 952 CG LYS A 63 1.967 7.759 -9.528 1.00 0.00 C ATOM 953 CD LYS A 63 2.841 7.843 -8.288 1.00 0.00 C ATOM 954 CE LYS A 63 2.610 9.141 -7.530 1.00 0.00 C ATOM 955 NZ LYS A 63 3.098 10.323 -8.293 1.00 0.00 N ATOM 0 H LYS A 63 0.624 5.338 -10.161 1.00 0.00 H new ATOM 0 HA LYS A 63 1.254 7.294 -12.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.009 5.984 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.413 7.397 -11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.816 8.758 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.984 7.374 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.630 6.996 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.890 7.770 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.546 9.256 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.119 9.095 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.289 11.106 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.972 10.073 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.374 10.616 -8.979 1.00 0.00 H new ATOM 969 N LYS A 64 1.685 4.307 -12.857 1.00 0.00 N ATOM 970 CA LYS A 64 2.239 3.313 -13.769 1.00 0.00 C ATOM 971 C LYS A 64 3.521 2.711 -13.202 1.00 0.00 C ATOM 972 O LYS A 64 4.377 2.233 -13.948 1.00 0.00 O ATOM 973 CB LYS A 64 2.520 3.944 -15.135 1.00 0.00 C ATOM 974 CG LYS A 64 1.364 4.770 -15.672 1.00 0.00 C ATOM 975 CD LYS A 64 0.408 3.924 -16.495 1.00 0.00 C ATOM 976 CE LYS A 64 0.815 3.887 -17.959 1.00 0.00 C ATOM 977 NZ LYS A 64 0.494 5.163 -18.657 1.00 0.00 N ATOM 0 H LYS A 64 0.811 4.029 -12.410 1.00 0.00 H new ATOM 0 HA LYS A 64 1.505 2.516 -13.888 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.404 4.578 -15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.754 3.155 -15.849 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.825 5.226 -14.841 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.751 5.584 -16.285 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.384 2.909 -16.097 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.602 4.325 -16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.885 3.692 -18.034 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.305 3.062 -18.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.595 5.032 -19.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.484 5.442 -18.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.146 5.907 -18.337 1.00 0.00 H new ATOM 991 N LEU A 65 3.647 2.735 -11.880 1.00 0.00 N ATOM 992 CA LEU A 65 4.824 2.189 -11.213 1.00 0.00 C ATOM 993 C LEU A 65 4.605 0.729 -10.830 1.00 0.00 C ATOM 994 O LEU A 65 5.546 -0.065 -10.810 1.00 0.00 O ATOM 995 CB LEU A 65 5.156 3.012 -9.967 1.00 0.00 C ATOM 996 CG LEU A 65 5.341 4.514 -10.184 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.232 5.261 -8.864 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.680 4.796 -10.850 1.00 0.00 C ATOM 0 H LEU A 65 2.948 3.127 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 65 5.662 2.240 -11.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.360 2.866 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.070 2.614 -9.526 1.00 0.00 H new ATOM 0 HG LEU A 65 4.549 4.867 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.366 6.329 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.249 5.085 -8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.002 4.905 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.794 5.870 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.487 4.428 -10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.719 4.292 -11.816 1.00 0.00 H new ATOM 1010 N ILE A 66 3.358 0.383 -10.528 1.00 0.00 N ATOM 1011 CA ILE A 66 3.016 -0.982 -10.149 1.00 0.00 C ATOM 1012 C ILE A 66 1.602 -1.339 -10.596 1.00 0.00 C ATOM 1013 O ILE A 66 0.917 -0.534 -11.228 1.00 0.00 O ATOM 1014 CB ILE A 66 3.129 -1.189 -8.627 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.118 -0.304 -7.894 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.544 -0.889 -8.155 1.00 0.00 C ATOM 1017 CD1 ILE A 66 2.129 -0.491 -6.393 1.00 0.00 C ATOM 0 H ILE A 66 2.569 1.029 -10.538 1.00 0.00 H new ATOM 0 HA ILE A 66 3.729 -1.637 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 66 2.904 -2.231 -8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.328 0.741 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.118 -0.519 -8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.608 -1.040 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.244 -1.557 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.795 0.145 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.388 0.167 -5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.889 -1.527 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.118 -0.248 -6.003 1.00 0.00 H new ATOM 1029 N LYS A 67 1.170 -2.550 -10.262 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.164 -3.014 -10.625 1.00 0.00 C ATOM 1031 C LYS A 67 -0.659 -4.069 -9.641 1.00 0.00 C ATOM 1032 O LYS A 67 0.119 -4.620 -8.864 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.158 -3.587 -12.044 1.00 0.00 C ATOM 1034 CG LYS A 67 0.918 -4.633 -12.273 1.00 0.00 C ATOM 1035 CD LYS A 67 0.969 -5.072 -13.727 1.00 0.00 C ATOM 1036 CE LYS A 67 1.551 -6.470 -13.868 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.496 -7.519 -13.799 1.00 0.00 N ATOM 0 H LYS A 67 1.725 -3.229 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.842 -2.161 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.132 -4.029 -12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.018 -2.773 -12.755 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.887 -4.229 -11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.727 -5.498 -11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.035 -5.051 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.571 -4.367 -14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.080 -6.549 -14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.284 -6.640 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.906 -8.400 -13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.268 -7.202 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.112 -7.689 -14.751 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.958 -4.347 -9.683 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.556 -5.339 -8.798 1.00 0.00 C ATOM 1053 C ALA A 68 -2.731 -6.676 -9.510 1.00 0.00 C ATOM 1054 O ALA A 68 -3.356 -6.749 -10.569 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.894 -4.839 -8.272 1.00 0.00 C ATOM 0 H ALA A 68 -2.616 -3.899 -10.321 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.881 -5.492 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.329 -5.590 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.744 -3.912 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.568 -4.656 -9.109 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.175 -7.731 -8.924 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.271 -9.066 -9.502 1.00 0.00 C ATOM 1063 C VAL A 69 -2.858 -10.057 -8.504 1.00 0.00 C ATOM 1064 O VAL A 69 -2.763 -9.864 -7.292 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.893 -9.576 -9.966 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.936 -11.076 -10.217 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.442 -8.831 -11.213 1.00 0.00 C ATOM 0 H VAL A 69 -1.653 -7.687 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.932 -8.991 -10.365 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.168 -9.385 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.046 -11.418 -10.544 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.212 -11.591 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.673 -11.295 -10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.533 -9.204 -11.527 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.166 -8.989 -12.013 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.370 -7.766 -10.994 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.221 -8.551 -4.502 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.768 -8.494 -4.613 1.00 0.00 C ATOM 1225 C VAL A 79 -0.329 -7.334 -5.499 1.00 0.00 C ATOM 1226 O VAL A 79 -1.039 -6.945 -6.426 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.197 -9.806 -5.183 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.308 -9.871 -4.969 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.885 -11.006 -4.550 1.00 0.00 C ATOM 0 HA VAL A 79 -0.379 -8.345 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.389 -9.829 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.694 -10.805 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.784 -9.030 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.526 -9.825 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.469 -11.924 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.726 -10.990 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.954 -10.965 -4.760 1.00 0.00 H new ATOM 1239 N TYR A 80 0.845 -6.786 -5.208 1.00 0.00 N ATOM 1240 CA TYR A 80 1.379 -5.668 -5.977 1.00 0.00 C ATOM 1241 C TYR A 80 2.765 -5.996 -6.524 1.00 0.00 C ATOM 1242 O TYR A 80 3.542 -6.708 -5.889 1.00 0.00 O ATOM 1243 CB TYR A 80 1.445 -4.410 -5.110 1.00 0.00 C ATOM 1244 CG TYR A 80 0.089 -3.815 -4.802 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.646 -4.243 -3.703 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.457 -2.827 -5.611 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -1.885 -3.703 -3.418 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.695 -2.280 -5.333 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.405 -2.721 -4.236 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.639 -2.180 -3.956 1.00 0.00 O ATOM 0 H TYR A 80 1.446 -7.098 -4.445 1.00 0.00 H new ATOM 0 HA TYR A 80 0.710 -5.486 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.948 -4.650 -4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.054 -3.661 -5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.241 -5.011 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.095 -2.480 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.443 -4.047 -2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.105 -1.511 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.859 -1.501 -4.628 1.00 0.00 H new ATOM 1260 N MET A 81 3.067 -5.469 -7.706 1.00 0.00 N ATOM 1261 CA MET A 81 4.360 -5.704 -8.338 1.00 0.00 C ATOM 1262 C MET A 81 4.665 -4.621 -9.369 1.00 0.00 C ATOM 1263 O MET A 81 3.815 -3.783 -9.675 1.00 0.00 O ATOM 1264 CB MET A 81 4.384 -7.080 -9.005 1.00 0.00 C ATOM 1265 CG MET A 81 3.695 -7.112 -10.359 1.00 0.00 C ATOM 1266 SD MET A 81 4.076 -8.604 -11.297 1.00 0.00 S ATOM 1267 CE MET A 81 2.907 -9.759 -10.585 1.00 0.00 C ATOM 0 H MET A 81 2.435 -4.877 -8.245 1.00 0.00 H new ATOM 0 HA MET A 81 5.126 -5.671 -7.564 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.420 -7.398 -9.126 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.904 -7.803 -8.345 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.617 -7.043 -10.215 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.996 -6.238 -10.936 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.491 -10.387 -11.372 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.415 -10.385 -9.851 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.103 -9.208 -10.097 1.00 0.00 H new ATOM 1277 N LEU A 82 5.882 -4.644 -9.902 1.00 0.00 N ATOM 1278 CA LEU A 82 6.299 -3.664 -10.899 1.00 0.00 C ATOM 1279 C LEU A 82 5.332 -3.643 -12.079 1.00 0.00 C ATOM 1280 O LEU A 82 4.930 -4.691 -12.584 1.00 0.00 O ATOM 1281 CB LEU A 82 7.714 -3.977 -11.390 1.00 0.00 C ATOM 1282 CG LEU A 82 8.850 -3.623 -10.431 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.111 -4.395 -10.789 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.117 -2.125 -10.449 1.00 0.00 C ATOM 0 H LEU A 82 6.597 -5.330 -9.661 1.00 0.00 H new ATOM 0 HA LEU A 82 6.293 -2.680 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.772 -5.042 -11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.878 -3.446 -12.327 1.00 0.00 H new ATOM 0 HG LEU A 82 8.549 -3.906 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.909 -4.130 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.914 -5.465 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.415 -4.144 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.929 -1.892 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.396 -1.817 -11.457 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.217 -1.591 -10.143 1.00 0.00 H new ATOM 1296 N TYR A 83 4.965 -2.443 -12.514 1.00 0.00 N ATOM 1297 CA TYR A 83 4.046 -2.284 -13.634 1.00 0.00 C ATOM 1298 C TYR A 83 4.636 -2.875 -14.911 1.00 0.00 C ATOM 1299 O TYR A 83 3.934 -3.514 -15.694 1.00 0.00 O ATOM 1300 CB TYR A 83 3.718 -0.805 -13.848 1.00 0.00 C ATOM 1301 CG TYR A 83 2.695 -0.562 -14.934 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.479 -1.233 -14.934 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.945 0.340 -15.961 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.542 -1.015 -15.925 1.00 0.00 C ATOM 1305 CE2 TYR A 83 2.013 0.566 -16.956 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.814 -0.114 -16.934 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.118 0.108 -17.922 1.00 0.00 O ATOM 0 H TYR A 83 5.290 -1.566 -12.108 1.00 0.00 H new ATOM 0 HA TYR A 83 3.128 -2.822 -13.396 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.349 -0.384 -12.913 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.635 -0.271 -14.098 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.262 -1.938 -14.145 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.884 0.874 -15.982 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.398 -1.547 -15.910 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.223 1.271 -17.746 1.00 0.00 H new ATOM 0 HH TYR A 83 0.228 0.771 -18.555 1.00 0.00 H new ATOM 1317 N ASN A 84 5.931 -2.657 -15.113 1.00 0.00 N ATOM 1318 CA ASN A 84 6.617 -3.167 -16.294 1.00 0.00 C ATOM 1319 C ASN A 84 6.573 -4.692 -16.333 1.00 0.00 C ATOM 1320 O ASN A 84 6.457 -5.294 -17.401 1.00 0.00 O ATOM 1321 CB ASN A 84 8.070 -2.688 -16.312 1.00 0.00 C ATOM 1322 CG ASN A 84 8.204 -1.268 -16.829 1.00 0.00 C ATOM 1323 OD1 ASN A 84 7.528 -0.875 -17.779 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.081 -0.492 -16.202 1.00 0.00 N ATOM 0 H ASN A 84 6.527 -2.130 -14.474 1.00 0.00 H new ATOM 0 HA ASN A 84 6.103 -2.783 -17.175 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.481 -2.745 -15.304 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.663 -3.357 -16.936 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.216 0.473 -16.504 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.620 -0.861 -15.418 1.00 0.00 H new