USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 44:sc= -3.13! USER MOD Set 1.2: A 77 ASN : amide:sc= -6.46! C(o=-9.6!,f=-12!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -110:sc= 0.201 (180deg=-0.78) USER MOD Set 2.2: A 62 CYS SG : rot -35:sc= -0.909! USER MOD Set 3.1: A 56 MET CE :methyl -162:sc= -1.37 (180deg=-2.78) USER MOD Set 3.2: A 64 MET CE :methyl -143:sc= -1.93 (180deg=-5.68!) USER MOD Set 4.1: A 29 GLN : amide:sc=-0.00467 X(o=-0.39,f=-0.47) USER MOD Set 4.2: A 55 ASN : amide:sc= -0.382 K(o=-0.39,f=-1.3) USER MOD Set 5.1: A 43 TYR OH : rot -135:sc= 0.477 USER MOD Set 5.2: A 84 HIS :FLIP no HD1:sc= -0.29 F(o=-1,f=0.19) USER MOD Single : A 25 THR OG1 : rot -96:sc= 0.118 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 31 HIS : no HD1:sc= -3.97! C(o=-4!,f=-3.9!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -96:sc= 0.172 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 0.712 (180deg=-0.0046) USER MOD Single : A 65 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.76) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.032 (180deg=-0.675) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.555 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -90:sc= 0.429 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.438 13.893 23.149 1.00 0.00 N ATOM 266 CA VAL A 20 5.177 13.080 24.331 1.00 0.00 C ATOM 267 C VAL A 20 6.357 13.117 25.295 1.00 0.00 C ATOM 268 O VAL A 20 7.501 13.358 24.907 1.00 0.00 O ATOM 269 CB VAL A 20 4.885 11.616 23.951 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.492 11.487 23.352 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.939 11.096 22.985 1.00 0.00 C ATOM 0 HA VAL A 20 4.299 13.504 24.819 1.00 0.00 H new ATOM 0 HB VAL A 20 4.923 11.010 24.856 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.304 10.446 23.090 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.751 11.818 24.080 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.422 12.105 22.457 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.717 10.060 22.727 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.935 11.704 22.080 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.921 11.151 23.454 1.00 0.00 H new ATOM 281 N PRO A 21 6.077 12.872 26.583 1.00 0.00 N ATOM 282 CA PRO A 21 7.103 12.871 27.630 1.00 0.00 C ATOM 283 C PRO A 21 8.052 11.684 27.510 1.00 0.00 C ATOM 284 O PRO A 21 7.810 10.759 26.736 1.00 0.00 O ATOM 285 CB PRO A 21 6.289 12.775 28.924 1.00 0.00 C ATOM 286 CG PRO A 21 5.014 12.118 28.522 1.00 0.00 C ATOM 287 CD PRO A 21 4.737 12.577 27.117 1.00 0.00 C ATOM 0 HA PRO A 21 7.742 13.753 27.576 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.814 12.191 29.680 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.108 13.761 29.352 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.103 11.033 28.568 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.202 12.400 29.192 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.233 11.806 26.534 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.095 13.458 27.101 1.00 0.00 H new ATOM 295 N ALA A 22 9.135 11.717 28.281 1.00 0.00 N ATOM 296 CA ALA A 22 10.119 10.643 28.262 1.00 0.00 C ATOM 297 C ALA A 22 9.481 9.306 28.625 1.00 0.00 C ATOM 298 O ALA A 22 9.226 8.473 27.755 1.00 0.00 O ATOM 299 CB ALA A 22 11.264 10.959 29.214 1.00 0.00 C ATOM 0 H ALA A 22 9.352 12.477 28.926 1.00 0.00 H new ATOM 0 HA ALA A 22 10.514 10.564 27.249 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.992 10.148 29.190 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.745 11.888 28.908 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.876 11.068 30.227 1.00 0.00 H new ATOM 305 N ASP A 23 9.226 9.108 29.913 1.00 0.00 N ATOM 306 CA ASP A 23 8.617 7.873 30.391 1.00 0.00 C ATOM 307 C ASP A 23 7.226 7.686 29.793 1.00 0.00 C ATOM 308 O ASP A 23 6.447 8.630 29.664 1.00 0.00 O ATOM 309 CB ASP A 23 8.532 7.878 31.918 1.00 0.00 C ATOM 310 CG ASP A 23 9.181 6.656 32.539 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.341 6.357 32.187 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.528 5.999 33.376 1.00 0.00 O ATOM 0 H ASP A 23 9.432 9.787 30.645 1.00 0.00 H new ATOM 0 HA ASP A 23 9.245 7.041 30.073 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.014 8.777 32.303 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.486 7.923 32.220 1.00 0.00 H new ATOM 317 N PRO A 24 6.906 6.438 29.417 1.00 0.00 N ATOM 318 CA PRO A 24 5.609 6.098 28.825 1.00 0.00 C ATOM 319 C PRO A 24 4.470 6.191 29.834 1.00 0.00 C ATOM 320 O PRO A 24 3.330 6.487 29.474 1.00 0.00 O ATOM 321 CB PRO A 24 5.798 4.651 28.364 1.00 0.00 C ATOM 322 CG PRO A 24 6.870 4.109 29.246 1.00 0.00 C ATOM 323 CD PRO A 24 7.787 5.264 29.541 1.00 0.00 C ATOM 0 HA PRO A 24 5.335 6.783 28.023 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.875 4.080 28.465 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.088 4.605 27.314 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.450 3.700 30.165 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.408 3.299 28.753 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.219 5.189 30.539 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.617 5.308 28.836 1.00 0.00 H new ATOM 331 N THR A 25 4.784 5.937 31.101 1.00 0.00 N ATOM 332 CA THR A 25 3.787 5.992 32.162 1.00 0.00 C ATOM 333 C THR A 25 3.150 7.374 32.248 1.00 0.00 C ATOM 334 O THR A 25 2.063 7.535 32.804 1.00 0.00 O ATOM 335 CB THR A 25 4.401 5.636 33.529 1.00 0.00 C ATOM 336 OG1 THR A 25 5.475 6.533 33.832 1.00 0.00 O ATOM 337 CG2 THR A 25 4.913 4.203 33.536 1.00 0.00 C ATOM 0 H THR A 25 5.722 5.691 31.417 1.00 0.00 H new ATOM 0 HA THR A 25 3.021 5.257 31.914 1.00 0.00 H new ATOM 0 HB THR A 25 3.624 5.731 34.287 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.327 6.121 33.577 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.342 3.975 34.512 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.087 3.521 33.334 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.677 4.086 32.767 1.00 0.00 H new ATOM 345 N LEU A 26 3.833 8.370 31.693 1.00 0.00 N ATOM 346 CA LEU A 26 3.333 9.740 31.706 1.00 0.00 C ATOM 347 C LEU A 26 2.438 10.006 30.499 1.00 0.00 C ATOM 348 O LEU A 26 2.023 11.139 30.259 1.00 0.00 O ATOM 349 CB LEU A 26 4.500 10.730 31.718 1.00 0.00 C ATOM 350 CG LEU A 26 5.585 10.476 32.765 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.748 11.436 32.572 1.00 0.00 C ATOM 352 CD2 LEU A 26 5.011 10.604 34.169 1.00 0.00 C ATOM 0 H LEU A 26 4.734 8.254 31.229 1.00 0.00 H new ATOM 0 HA LEU A 26 2.740 9.875 32.611 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.966 10.724 30.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.099 11.731 31.875 1.00 0.00 H new ATOM 0 HG LEU A 26 5.956 9.459 32.637 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.510 11.240 33.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.175 11.295 31.579 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.393 12.462 32.672 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.797 10.420 34.902 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.612 11.609 34.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.212 9.875 34.303 1.00 0.00 H new ATOM 364 N TRP A 27 2.144 8.953 29.745 1.00 0.00 N ATOM 365 CA TRP A 27 1.297 9.072 28.564 1.00 0.00 C ATOM 366 C TRP A 27 -0.177 8.957 28.938 1.00 0.00 C ATOM 367 O TRP A 27 -0.589 8.002 29.598 1.00 0.00 O ATOM 368 CB TRP A 27 1.661 7.996 27.540 1.00 0.00 C ATOM 369 CG TRP A 27 3.016 8.190 26.931 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.833 9.275 27.077 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.712 7.274 26.078 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.994 9.089 26.366 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.945 7.869 25.745 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.414 6.009 25.564 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.876 7.241 24.922 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.339 5.388 24.747 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.558 6.003 24.433 1.00 0.00 C ATOM 0 H TRP A 27 2.479 8.008 29.930 1.00 0.00 H new ATOM 0 HA TRP A 27 1.466 10.055 28.124 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.624 7.019 28.022 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.912 7.990 26.748 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.601 10.151 27.665 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.767 9.752 26.310 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.478 5.526 25.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.816 7.714 24.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.118 4.411 24.343 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.260 5.490 23.793 1.00 0.00 H new ATOM 388 N THR A 28 -0.969 9.936 28.512 1.00 0.00 N ATOM 389 CA THR A 28 -2.397 9.945 28.804 1.00 0.00 C ATOM 390 C THR A 28 -3.153 9.000 27.877 1.00 0.00 C ATOM 391 O THR A 28 -2.549 8.288 27.076 1.00 0.00 O ATOM 392 CB THR A 28 -2.989 11.361 28.669 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.131 11.703 27.285 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.104 12.386 29.361 1.00 0.00 C ATOM 0 H THR A 28 -0.646 10.733 27.964 1.00 0.00 H new ATOM 0 HA THR A 28 -2.511 9.608 29.834 1.00 0.00 H new ATOM 0 HB THR A 28 -3.968 11.368 29.147 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.509 12.604 27.208 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.542 13.378 29.252 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.022 12.140 30.420 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.113 12.376 28.908 1.00 0.00 H new ATOM 402 N GLN A 29 -4.478 9.001 27.991 1.00 0.00 N ATOM 403 CA GLN A 29 -5.315 8.142 27.162 1.00 0.00 C ATOM 404 C GLN A 29 -5.173 8.503 25.687 1.00 0.00 C ATOM 405 O GLN A 29 -5.533 7.718 24.810 1.00 0.00 O ATOM 406 CB GLN A 29 -6.780 8.259 27.588 1.00 0.00 C ATOM 407 CG GLN A 29 -7.442 6.918 27.862 1.00 0.00 C ATOM 408 CD GLN A 29 -8.926 7.047 28.144 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.761 6.652 27.330 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.263 7.601 29.303 1.00 0.00 N ATOM 0 H GLN A 29 -4.994 9.586 28.648 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.984 7.113 27.299 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.841 8.875 28.485 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.337 8.777 26.807 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.295 6.262 27.004 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.954 6.443 28.713 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.538 7.914 29.948 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.247 7.713 29.548 1.00 0.00 H new ATOM 419 N GLU A 30 -4.645 9.694 25.422 1.00 0.00 N ATOM 420 CA GLU A 30 -4.456 10.157 24.053 1.00 0.00 C ATOM 421 C GLU A 30 -3.035 9.876 23.574 1.00 0.00 C ATOM 422 O GLU A 30 -2.826 9.404 22.457 1.00 0.00 O ATOM 423 CB GLU A 30 -4.753 11.655 23.952 1.00 0.00 C ATOM 424 CG GLU A 30 -4.555 12.222 22.556 1.00 0.00 C ATOM 425 CD GLU A 30 -5.806 12.884 22.013 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.690 12.160 21.509 1.00 0.00 O ATOM 427 OE2 GLU A 30 -5.901 14.127 22.092 1.00 0.00 O ATOM 0 H GLU A 30 -4.341 10.355 26.137 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.151 9.612 23.414 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.781 11.835 24.266 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.109 12.192 24.648 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.743 12.949 22.575 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.251 11.421 21.882 1.00 0.00 H new ATOM 434 N HIS A 31 -2.060 10.172 24.429 1.00 0.00 N ATOM 435 CA HIS A 31 -0.657 9.951 24.094 1.00 0.00 C ATOM 436 C HIS A 31 -0.434 8.525 23.601 1.00 0.00 C ATOM 437 O HIS A 31 0.139 8.309 22.533 1.00 0.00 O ATOM 438 CB HIS A 31 0.228 10.228 25.309 1.00 0.00 C ATOM 439 CG HIS A 31 0.607 11.669 25.458 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.886 12.252 26.677 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.755 12.646 24.533 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.187 13.525 26.495 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.115 13.790 25.203 1.00 0.00 N ATOM 0 H HIS A 31 -2.215 10.565 25.357 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.387 10.639 23.293 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.293 9.903 26.209 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.135 9.628 25.232 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.616 12.545 23.467 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.448 14.230 27.271 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.297 14.697 24.773 1.00 0.00 H new ATOM 451 N VAL A 32 -0.889 7.554 24.387 1.00 0.00 N ATOM 452 CA VAL A 32 -0.739 6.148 24.031 1.00 0.00 C ATOM 453 C VAL A 32 -1.219 5.888 22.607 1.00 0.00 C ATOM 454 O VAL A 32 -0.701 5.010 21.917 1.00 0.00 O ATOM 455 CB VAL A 32 -1.520 5.238 24.997 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.437 3.787 24.549 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.996 5.396 26.417 1.00 0.00 C ATOM 0 H VAL A 32 -1.365 7.716 25.275 1.00 0.00 H new ATOM 0 HA VAL A 32 0.323 5.915 24.103 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.568 5.538 24.984 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.995 3.159 25.244 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.863 3.690 23.550 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.394 3.471 24.531 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.559 4.746 27.087 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.059 5.123 26.448 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.112 6.432 26.735 1.00 0.00 H new ATOM 467 N ARG A 33 -2.211 6.659 22.172 1.00 0.00 N ATOM 468 CA ARG A 33 -2.761 6.511 20.830 1.00 0.00 C ATOM 469 C ARG A 33 -1.862 7.184 19.797 1.00 0.00 C ATOM 470 O ARG A 33 -1.594 6.623 18.735 1.00 0.00 O ATOM 471 CB ARG A 33 -4.167 7.109 20.764 1.00 0.00 C ATOM 472 CG ARG A 33 -5.119 6.546 21.807 1.00 0.00 C ATOM 473 CD ARG A 33 -6.557 6.949 21.525 1.00 0.00 C ATOM 474 NE ARG A 33 -7.081 7.857 22.542 1.00 0.00 N ATOM 475 CZ ARG A 33 -8.303 8.376 22.505 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.123 8.079 21.507 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.707 9.195 23.468 1.00 0.00 N ATOM 0 H ARG A 33 -2.650 7.392 22.729 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.815 5.447 20.602 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.099 8.189 20.892 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.582 6.931 19.772 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.041 5.459 21.823 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.828 6.901 22.796 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.614 7.428 20.548 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.181 6.057 21.480 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.475 8.106 23.324 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.816 7.450 20.765 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.061 8.479 21.481 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.079 9.426 24.238 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.646 9.593 23.439 1.00 0.00 H new ATOM 491 N GLN A 34 -1.399 8.388 20.117 1.00 0.00 N ATOM 492 CA GLN A 34 -0.531 9.137 19.216 1.00 0.00 C ATOM 493 C GLN A 34 0.781 8.395 18.983 1.00 0.00 C ATOM 494 O GLN A 34 1.186 8.175 17.842 1.00 0.00 O ATOM 495 CB GLN A 34 -0.250 10.529 19.784 1.00 0.00 C ATOM 496 CG GLN A 34 -1.170 11.607 19.235 1.00 0.00 C ATOM 497 CD GLN A 34 -0.868 12.979 19.805 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.292 13.380 19.904 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.912 13.707 20.183 1.00 0.00 N ATOM 0 H GLN A 34 -1.610 8.866 20.993 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.044 9.240 18.260 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.349 10.496 20.869 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.783 10.799 19.566 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.077 11.640 18.150 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.204 11.345 19.458 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.856 13.335 20.083 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.770 14.638 20.574 1.00 0.00 H new ATOM 508 N TRP A 35 1.440 8.014 20.071 1.00 0.00 N ATOM 509 CA TRP A 35 2.708 7.298 19.985 1.00 0.00 C ATOM 510 C TRP A 35 2.566 6.041 19.133 1.00 0.00 C ATOM 511 O TRP A 35 3.475 5.680 18.385 1.00 0.00 O ATOM 512 CB TRP A 35 3.204 6.928 21.384 1.00 0.00 C ATOM 513 CG TRP A 35 4.346 5.957 21.371 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.652 6.231 21.085 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.281 4.555 21.656 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.404 5.084 21.174 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.587 4.043 21.524 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.249 3.683 22.011 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.883 2.699 21.734 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.545 2.349 22.219 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.853 1.868 22.081 1.00 0.00 C ATOM 0 H TRP A 35 1.118 8.189 21.023 1.00 0.00 H new ATOM 0 HA TRP A 35 3.437 7.955 19.511 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.513 7.835 21.904 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.379 6.500 21.953 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.038 7.206 20.827 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.408 5.019 21.006 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.237 4.045 22.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.891 2.325 21.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.754 1.666 22.493 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.053 0.820 22.252 1.00 0.00 H new ATOM 532 N LEU A 36 1.421 5.378 19.251 1.00 0.00 N ATOM 533 CA LEU A 36 1.160 4.161 18.491 1.00 0.00 C ATOM 534 C LEU A 36 1.164 4.443 16.992 1.00 0.00 C ATOM 535 O LEU A 36 1.982 3.899 16.251 1.00 0.00 O ATOM 536 CB LEU A 36 -0.184 3.556 18.904 1.00 0.00 C ATOM 537 CG LEU A 36 -0.259 2.029 18.910 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.561 1.459 20.057 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.705 1.567 19.005 1.00 0.00 C ATOM 0 H LEU A 36 0.659 5.663 19.866 1.00 0.00 H new ATOM 0 HA LEU A 36 1.955 3.448 18.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.430 3.916 19.903 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.953 3.935 18.230 1.00 0.00 H new ATOM 0 HG LEU A 36 0.159 1.660 17.973 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.496 0.371 20.045 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.602 1.761 19.945 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.173 1.836 21.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.739 0.478 19.008 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.149 1.947 19.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.265 1.945 18.150 1.00 0.00 H new ATOM 551 N GLU A 37 0.245 5.299 16.554 1.00 0.00 N ATOM 552 CA GLU A 37 0.145 5.654 15.143 1.00 0.00 C ATOM 553 C GLU A 37 1.490 6.137 14.607 1.00 0.00 C ATOM 554 O GLU A 37 1.783 5.995 13.420 1.00 0.00 O ATOM 555 CB GLU A 37 -0.916 6.738 14.942 1.00 0.00 C ATOM 556 CG GLU A 37 -2.288 6.353 15.468 1.00 0.00 C ATOM 557 CD GLU A 37 -3.400 6.672 14.488 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.328 7.734 13.834 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.342 5.860 14.375 1.00 0.00 O ATOM 0 H GLU A 37 -0.439 5.758 17.155 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.148 4.762 14.589 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.589 7.651 15.439 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.995 6.965 13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.301 5.286 15.691 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.474 6.877 16.405 1.00 0.00 H new ATOM 566 N TRP A 38 2.301 6.707 15.489 1.00 0.00 N ATOM 567 CA TRP A 38 3.615 7.212 15.105 1.00 0.00 C ATOM 568 C TRP A 38 4.560 6.065 14.764 1.00 0.00 C ATOM 569 O TRP A 38 5.033 5.954 13.634 1.00 0.00 O ATOM 570 CB TRP A 38 4.207 8.061 16.231 1.00 0.00 C ATOM 571 CG TRP A 38 5.658 8.382 16.032 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.196 9.164 15.050 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.754 7.928 16.833 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.562 9.224 15.193 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.928 8.475 16.280 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.858 7.116 17.965 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.188 8.232 16.821 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.109 6.876 18.500 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.260 7.433 17.929 1.00 0.00 C ATOM 0 H TRP A 38 2.073 6.832 16.475 1.00 0.00 H new ATOM 0 HA TRP A 38 3.493 7.833 14.218 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.644 8.991 16.310 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.085 7.533 17.177 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.632 9.662 14.275 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.199 9.742 14.588 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.976 6.684 18.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.077 8.659 16.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.201 6.248 19.374 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.223 7.228 18.372 1.00 0.00 H new ATOM 590 N ALA A 39 4.831 5.215 15.749 1.00 0.00 N ATOM 591 CA ALA A 39 5.718 4.075 15.552 1.00 0.00 C ATOM 592 C ALA A 39 5.302 3.260 14.333 1.00 0.00 C ATOM 593 O ALA A 39 6.137 2.635 13.678 1.00 0.00 O ATOM 594 CB ALA A 39 5.734 3.198 16.795 1.00 0.00 C ATOM 0 H ALA A 39 4.449 5.294 16.691 1.00 0.00 H new ATOM 0 HA ALA A 39 6.724 4.455 15.376 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.400 2.351 16.634 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.087 3.780 17.646 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.726 2.834 16.997 1.00 0.00 H new ATOM 600 N ILE A 40 4.008 3.271 14.033 1.00 0.00 N ATOM 601 CA ILE A 40 3.482 2.532 12.891 1.00 0.00 C ATOM 602 C ILE A 40 3.915 3.172 11.576 1.00 0.00 C ATOM 603 O ILE A 40 4.372 2.488 10.660 1.00 0.00 O ATOM 604 CB ILE A 40 1.945 2.455 12.930 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.480 1.748 14.205 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.419 1.735 11.697 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.095 2.159 14.653 1.00 0.00 C ATOM 0 H ILE A 40 3.304 3.783 14.564 1.00 0.00 H new ATOM 0 HA ILE A 40 3.889 1.523 12.953 1.00 0.00 H new ATOM 0 HB ILE A 40 1.545 3.469 12.933 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.495 0.671 14.039 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.189 1.957 15.006 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.331 1.689 11.739 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.725 2.276 10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.824 0.724 11.666 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.169 1.618 15.562 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.080 3.231 14.851 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.625 1.924 13.869 1.00 0.00 H new ATOM 619 N LYS A 41 3.770 4.490 11.490 1.00 0.00 N ATOM 620 CA LYS A 41 4.148 5.225 10.289 1.00 0.00 C ATOM 621 C LYS A 41 5.664 5.364 10.191 1.00 0.00 C ATOM 622 O LYS A 41 6.207 5.579 9.108 1.00 0.00 O ATOM 623 CB LYS A 41 3.497 6.610 10.288 1.00 0.00 C ATOM 624 CG LYS A 41 4.006 7.522 11.391 1.00 0.00 C ATOM 625 CD LYS A 41 3.601 8.967 11.151 1.00 0.00 C ATOM 626 CE LYS A 41 4.537 9.653 10.168 1.00 0.00 C ATOM 627 NZ LYS A 41 5.728 10.232 10.850 1.00 0.00 N ATOM 0 H LYS A 41 3.393 5.071 12.239 1.00 0.00 H new ATOM 0 HA LYS A 41 3.795 4.664 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.676 7.085 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.418 6.495 10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.613 7.188 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.092 7.453 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.581 9.001 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.605 9.509 12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.863 8.935 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.999 10.443 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.342 10.691 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.419 10.935 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.256 9.475 11.329 1.00 0.00 H new ATOM 641 N GLU A 42 6.340 5.238 11.328 1.00 0.00 N ATOM 642 CA GLU A 42 7.794 5.349 11.369 1.00 0.00 C ATOM 643 C GLU A 42 8.451 4.014 11.028 1.00 0.00 C ATOM 644 O GLU A 42 9.297 3.936 10.137 1.00 0.00 O ATOM 645 CB GLU A 42 8.254 5.818 12.751 1.00 0.00 C ATOM 646 CG GLU A 42 9.764 5.910 12.891 1.00 0.00 C ATOM 647 CD GLU A 42 10.240 7.326 13.148 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.925 8.216 12.331 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.929 7.544 14.167 1.00 0.00 O ATOM 0 H GLU A 42 5.905 5.059 12.233 1.00 0.00 H new ATOM 0 HA GLU A 42 8.098 6.085 10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.818 6.796 12.957 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.869 5.132 13.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.089 5.267 13.709 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.233 5.532 11.983 1.00 0.00 H new ATOM 656 N TYR A 43 8.056 2.967 11.743 1.00 0.00 N ATOM 657 CA TYR A 43 8.608 1.636 11.519 1.00 0.00 C ATOM 658 C TYR A 43 7.807 0.885 10.460 1.00 0.00 C ATOM 659 O TYR A 43 8.017 -0.306 10.236 1.00 0.00 O ATOM 660 CB TYR A 43 8.620 0.840 12.825 1.00 0.00 C ATOM 661 CG TYR A 43 9.180 1.611 13.999 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.389 2.288 13.897 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.501 1.660 15.210 1.00 0.00 C ATOM 664 CE1 TYR A 43 10.905 2.993 14.967 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.009 2.364 16.285 1.00 0.00 C ATOM 666 CZ TYR A 43 10.211 3.029 16.159 1.00 0.00 C ATOM 667 OH TYR A 43 10.721 3.729 17.228 1.00 0.00 O ATOM 0 H TYR A 43 7.355 3.014 12.483 1.00 0.00 H new ATOM 0 HA TYR A 43 9.631 1.750 11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.603 0.527 13.059 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.208 -0.067 12.683 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.935 2.263 12.965 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.560 1.139 15.313 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.847 3.513 14.871 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.468 2.393 17.219 1.00 0.00 H new ATOM 0 HH TYR A 43 10.636 3.190 18.042 1.00 0.00 H new ATOM 677 N SER A 44 6.888 1.593 9.811 1.00 0.00 N ATOM 678 CA SER A 44 6.052 0.994 8.777 1.00 0.00 C ATOM 679 C SER A 44 5.388 -0.282 9.286 1.00 0.00 C ATOM 680 O SER A 44 5.377 -1.306 8.601 1.00 0.00 O ATOM 681 CB SER A 44 6.886 0.686 7.532 1.00 0.00 C ATOM 682 OG SER A 44 7.091 1.853 6.754 1.00 0.00 O ATOM 0 H SER A 44 6.704 2.581 9.983 1.00 0.00 H new ATOM 0 HA SER A 44 5.272 1.709 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.848 0.269 7.829 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.383 -0.072 6.931 1.00 0.00 H new ATOM 0 HG SER A 44 7.628 1.630 5.965 1.00 0.00 H new ATOM 688 N LEU A 45 4.835 -0.212 10.492 1.00 0.00 N ATOM 689 CA LEU A 45 4.168 -1.361 11.095 1.00 0.00 C ATOM 690 C LEU A 45 2.824 -1.625 10.422 1.00 0.00 C ATOM 691 O LEU A 45 2.080 -0.695 10.114 1.00 0.00 O ATOM 692 CB LEU A 45 3.964 -1.129 12.593 1.00 0.00 C ATOM 693 CG LEU A 45 5.207 -0.717 13.383 1.00 0.00 C ATOM 694 CD1 LEU A 45 4.845 -0.420 14.830 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.270 -1.803 13.309 1.00 0.00 C ATOM 0 H LEU A 45 4.835 0.628 11.071 1.00 0.00 H new ATOM 0 HA LEU A 45 4.803 -2.235 10.952 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.204 -0.358 12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.566 -2.044 13.031 1.00 0.00 H new ATOM 0 HG LEU A 45 5.613 0.191 12.938 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.742 -0.129 15.377 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.119 0.392 14.864 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.414 -1.311 15.288 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.147 -1.493 13.877 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.875 -2.728 13.729 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.551 -1.967 12.269 1.00 0.00 H new ATOM 707 N MET A 46 2.520 -2.900 10.200 1.00 0.00 N ATOM 708 CA MET A 46 1.265 -3.287 9.568 1.00 0.00 C ATOM 709 C MET A 46 0.568 -4.383 10.368 1.00 0.00 C ATOM 710 O MET A 46 1.193 -5.060 11.184 1.00 0.00 O ATOM 711 CB MET A 46 1.516 -3.765 8.136 1.00 0.00 C ATOM 712 CG MET A 46 2.460 -2.867 7.353 1.00 0.00 C ATOM 713 SD MET A 46 2.134 -2.897 5.580 1.00 0.00 S ATOM 714 CE MET A 46 2.668 -1.253 5.110 1.00 0.00 C ATOM 0 H MET A 46 3.126 -3.682 10.449 1.00 0.00 H new ATOM 0 HA MET A 46 0.615 -2.412 9.542 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.928 -4.774 8.165 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.564 -3.825 7.609 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.369 -1.844 7.718 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.488 -3.180 7.535 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.528 -1.118 4.037 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.079 -0.511 5.649 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.722 -1.128 5.357 1.00 0.00 H new ATOM 724 N GLU A 47 -0.729 -4.552 10.128 1.00 0.00 N ATOM 725 CA GLU A 47 -1.509 -5.566 10.827 1.00 0.00 C ATOM 726 C GLU A 47 -1.560 -5.275 12.325 1.00 0.00 C ATOM 727 O GLU A 47 -1.526 -6.192 13.147 1.00 0.00 O ATOM 728 CB GLU A 47 -0.914 -6.955 10.586 1.00 0.00 C ATOM 729 CG GLU A 47 -0.572 -7.226 9.131 1.00 0.00 C ATOM 730 CD GLU A 47 -1.088 -8.569 8.651 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.319 -8.716 8.508 1.00 0.00 O ATOM 732 OE2 GLU A 47 -0.258 -9.474 8.419 1.00 0.00 O ATOM 0 H GLU A 47 -1.261 -4.000 9.455 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.525 -5.541 10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.013 -7.065 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.622 -7.709 10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.993 -6.436 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.510 -7.190 9.003 1.00 0.00 H new ATOM 739 N ILE A 48 -1.640 -3.995 12.670 1.00 0.00 N ATOM 740 CA ILE A 48 -1.697 -3.584 14.068 1.00 0.00 C ATOM 741 C ILE A 48 -3.084 -3.069 14.434 1.00 0.00 C ATOM 742 O ILE A 48 -3.698 -2.316 13.677 1.00 0.00 O ATOM 743 CB ILE A 48 -0.658 -2.489 14.375 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.557 -2.260 15.884 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.023 -1.197 13.660 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.834 -1.888 16.348 1.00 0.00 C ATOM 0 H ILE A 48 -1.667 -3.225 12.002 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.471 -4.467 14.666 1.00 0.00 H new ATOM 0 HB ILE A 48 0.315 -2.820 14.011 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.250 -1.469 16.170 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.874 -3.165 16.402 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.279 -0.433 13.887 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.048 -1.371 12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.004 -0.860 13.996 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.830 -1.741 17.428 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.529 -2.688 16.093 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.147 -0.966 15.857 1.00 0.00 H new ATOM 758 N ASP A 49 -3.572 -3.477 15.600 1.00 0.00 N ATOM 759 CA ASP A 49 -4.887 -3.055 16.069 1.00 0.00 C ATOM 760 C ASP A 49 -4.770 -1.863 17.014 1.00 0.00 C ATOM 761 O ASP A 49 -4.605 -2.029 18.223 1.00 0.00 O ATOM 762 CB ASP A 49 -5.597 -4.212 16.773 1.00 0.00 C ATOM 763 CG ASP A 49 -7.014 -3.860 17.181 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.545 -2.850 16.671 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.592 -4.593 18.010 1.00 0.00 O ATOM 0 H ASP A 49 -3.077 -4.100 16.238 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.475 -2.752 15.202 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.617 -5.078 16.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.028 -4.499 17.657 1.00 0.00 H new ATOM 770 N THR A 50 -4.854 -0.660 16.455 1.00 0.00 N ATOM 771 CA THR A 50 -4.756 0.559 17.247 1.00 0.00 C ATOM 772 C THR A 50 -5.921 0.678 18.222 1.00 0.00 C ATOM 773 O THR A 50 -5.791 1.274 19.291 1.00 0.00 O ATOM 774 CB THR A 50 -4.723 1.811 16.349 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.926 1.891 15.576 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.519 1.780 15.421 1.00 0.00 C ATOM 0 H THR A 50 -4.990 -0.504 15.456 1.00 0.00 H new ATOM 0 HA THR A 50 -3.823 0.497 17.807 1.00 0.00 H new ATOM 0 HB THR A 50 -4.644 2.689 16.990 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.898 2.690 15.009 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.517 2.674 14.797 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.604 1.749 16.013 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.571 0.895 14.787 1.00 0.00 H new ATOM 784 N SER A 51 -7.061 0.105 17.847 1.00 0.00 N ATOM 785 CA SER A 51 -8.251 0.149 18.688 1.00 0.00 C ATOM 786 C SER A 51 -7.966 -0.443 20.065 1.00 0.00 C ATOM 787 O SER A 51 -8.528 -0.007 21.070 1.00 0.00 O ATOM 788 CB SER A 51 -9.400 -0.610 18.022 1.00 0.00 C ATOM 789 OG SER A 51 -9.597 -1.875 18.631 1.00 0.00 O ATOM 0 H SER A 51 -7.185 -0.395 16.967 1.00 0.00 H new ATOM 0 HA SER A 51 -8.539 1.193 18.813 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.316 -0.023 18.091 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.186 -0.743 16.962 1.00 0.00 H new ATOM 0 HG SER A 51 -9.120 -2.562 18.120 1.00 0.00 H new ATOM 795 N PHE A 52 -7.088 -1.440 20.103 1.00 0.00 N ATOM 796 CA PHE A 52 -6.728 -2.095 21.355 1.00 0.00 C ATOM 797 C PHE A 52 -6.170 -1.086 22.355 1.00 0.00 C ATOM 798 O PHE A 52 -6.204 -1.310 23.565 1.00 0.00 O ATOM 799 CB PHE A 52 -5.700 -3.199 21.101 1.00 0.00 C ATOM 800 CG PHE A 52 -5.832 -4.367 22.036 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.352 -4.290 23.334 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.436 -5.542 21.617 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.471 -5.364 24.196 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.558 -6.619 22.475 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.076 -6.529 23.766 1.00 0.00 C ATOM 0 H PHE A 52 -6.613 -1.812 19.281 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.630 -2.538 21.777 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.803 -3.552 20.075 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.698 -2.780 21.195 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.880 -3.381 23.676 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.816 -5.617 20.609 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.091 -5.292 25.205 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.030 -7.530 22.136 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.172 -7.368 24.439 1.00 0.00 H new ATOM 815 N PHE A 53 -5.655 0.026 21.840 1.00 0.00 N ATOM 816 CA PHE A 53 -5.088 1.069 22.686 1.00 0.00 C ATOM 817 C PHE A 53 -5.878 2.368 22.551 1.00 0.00 C ATOM 818 O PHE A 53 -5.369 3.448 22.849 1.00 0.00 O ATOM 819 CB PHE A 53 -3.622 1.311 22.321 1.00 0.00 C ATOM 820 CG PHE A 53 -2.819 0.047 22.197 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.808 -0.669 21.011 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.076 -0.425 23.267 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.071 -1.832 20.894 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.336 -1.587 23.156 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.333 -2.291 21.968 1.00 0.00 C ATOM 0 H PHE A 53 -5.619 0.228 20.841 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.147 0.734 23.721 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.576 1.856 21.378 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.167 1.948 23.080 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.382 -0.314 20.168 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.075 0.121 24.199 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.072 -2.381 19.964 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.761 -1.944 23.997 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.755 -3.199 21.879 1.00 0.00 H new ATOM 835 N GLN A 54 -7.123 2.252 22.101 1.00 0.00 N ATOM 836 CA GLN A 54 -7.982 3.417 21.925 1.00 0.00 C ATOM 837 C GLN A 54 -8.222 4.122 23.256 1.00 0.00 C ATOM 838 O GLN A 54 -8.401 5.338 23.302 1.00 0.00 O ATOM 839 CB GLN A 54 -9.318 3.003 21.306 1.00 0.00 C ATOM 840 CG GLN A 54 -10.220 2.237 22.260 1.00 0.00 C ATOM 841 CD GLN A 54 -11.581 1.939 21.665 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.012 2.592 20.714 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.267 0.947 22.221 1.00 0.00 N ATOM 0 H GLN A 54 -7.559 1.364 21.852 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.477 4.111 21.253 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.841 3.895 20.962 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.126 2.387 20.427 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.736 1.300 22.538 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.347 2.814 23.176 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.872 0.432 23.008 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.189 0.700 21.861 1.00 0.00 H new ATOM 852 N ASN A 55 -8.225 3.349 24.337 1.00 0.00 N ATOM 853 CA ASN A 55 -8.444 3.900 25.670 1.00 0.00 C ATOM 854 C ASN A 55 -7.481 3.282 26.679 1.00 0.00 C ATOM 855 O ASN A 55 -7.823 3.101 27.847 1.00 0.00 O ATOM 856 CB ASN A 55 -9.889 3.659 26.113 1.00 0.00 C ATOM 857 CG ASN A 55 -10.888 4.428 25.270 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.663 5.588 24.925 1.00 0.00 O ATOM 859 ND2 ASN A 55 -12.000 3.783 24.935 1.00 0.00 N ATOM 0 H ASN A 55 -8.078 2.340 24.316 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.258 4.973 25.628 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.111 2.594 26.054 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.999 3.950 27.158 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.709 4.249 24.369 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.144 2.822 25.243 1.00 0.00 H new ATOM 866 N MET A 56 -6.276 2.961 26.219 1.00 0.00 N ATOM 867 CA MET A 56 -5.263 2.366 27.082 1.00 0.00 C ATOM 868 C MET A 56 -4.299 3.427 27.602 1.00 0.00 C ATOM 869 O MET A 56 -3.393 3.859 26.889 1.00 0.00 O ATOM 870 CB MET A 56 -4.489 1.284 26.325 1.00 0.00 C ATOM 871 CG MET A 56 -3.502 0.522 27.194 1.00 0.00 C ATOM 872 SD MET A 56 -3.976 -1.201 27.436 1.00 0.00 S ATOM 873 CE MET A 56 -3.856 -1.823 25.761 1.00 0.00 C ATOM 0 H MET A 56 -5.978 3.103 25.254 1.00 0.00 H new ATOM 0 HA MET A 56 -5.769 1.912 27.934 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.198 0.579 25.890 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.951 1.746 25.497 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.514 0.562 26.736 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.423 1.013 28.164 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.410 -2.758 25.680 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.276 -1.092 25.070 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.809 -1.998 25.512 1.00 0.00 H new ATOM 883 N ASP A 57 -4.501 3.845 28.847 1.00 0.00 N ATOM 884 CA ASP A 57 -3.649 4.856 29.462 1.00 0.00 C ATOM 885 C ASP A 57 -2.195 4.393 29.496 1.00 0.00 C ATOM 886 O ASP A 57 -1.915 3.197 29.559 1.00 0.00 O ATOM 887 CB ASP A 57 -4.132 5.167 30.879 1.00 0.00 C ATOM 888 CG ASP A 57 -4.504 3.916 31.652 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.585 3.230 32.147 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.712 3.624 31.761 1.00 0.00 O ATOM 0 H ASP A 57 -5.247 3.499 29.450 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.709 5.762 28.860 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.350 5.704 31.417 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.996 5.829 30.828 1.00 0.00 H new ATOM 895 N GLY A 58 -1.274 5.351 29.454 1.00 0.00 N ATOM 896 CA GLY A 58 0.139 5.022 29.480 1.00 0.00 C ATOM 897 C GLY A 58 0.472 3.975 30.524 1.00 0.00 C ATOM 898 O GLY A 58 1.356 3.143 30.321 1.00 0.00 O ATOM 0 H GLY A 58 -1.481 6.348 29.402 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.443 4.660 28.498 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.715 5.925 29.679 1.00 0.00 H new ATOM 902 N LYS A 59 -0.237 4.016 31.648 1.00 0.00 N ATOM 903 CA LYS A 59 -0.013 3.064 32.729 1.00 0.00 C ATOM 904 C LYS A 59 -0.366 1.647 32.288 1.00 0.00 C ATOM 905 O LYS A 59 0.385 0.705 32.541 1.00 0.00 O ATOM 906 CB LYS A 59 -0.844 3.450 33.955 1.00 0.00 C ATOM 907 CG LYS A 59 -0.466 4.797 34.547 1.00 0.00 C ATOM 908 CD LYS A 59 0.506 4.644 35.705 1.00 0.00 C ATOM 909 CE LYS A 59 1.851 4.109 35.237 1.00 0.00 C ATOM 910 NZ LYS A 59 1.938 2.629 35.378 1.00 0.00 N ATOM 0 H LYS A 59 -0.972 4.699 31.833 1.00 0.00 H new ATOM 0 HA LYS A 59 1.045 3.091 32.991 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.898 3.467 33.678 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.728 2.681 34.719 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.018 5.422 33.775 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.365 5.310 34.890 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.647 5.608 36.193 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.084 3.969 36.449 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.009 4.384 34.194 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.649 4.576 35.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.606 2.391 36.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.999 2.247 35.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.270 2.214 34.484 1.00 0.00 H new ATOM 924 N GLU A 60 -1.511 1.505 31.628 1.00 0.00 N ATOM 925 CA GLU A 60 -1.960 0.202 31.152 1.00 0.00 C ATOM 926 C GLU A 60 -1.186 -0.219 29.906 1.00 0.00 C ATOM 927 O GLU A 60 -1.263 -1.370 29.473 1.00 0.00 O ATOM 928 CB GLU A 60 -3.459 0.235 30.847 1.00 0.00 C ATOM 929 CG GLU A 60 -4.330 0.356 32.086 1.00 0.00 C ATOM 930 CD GLU A 60 -4.988 -0.956 32.467 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.499 -2.016 32.024 1.00 0.00 O ATOM 932 OE2 GLU A 60 -5.992 -0.923 33.209 1.00 0.00 O ATOM 0 H GLU A 60 -2.144 2.275 31.411 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.772 -0.528 31.939 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.668 1.074 30.183 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.732 -0.673 30.309 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.723 0.709 32.919 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.100 1.107 31.912 1.00 0.00 H new ATOM 939 N LEU A 61 -0.440 0.720 29.335 1.00 0.00 N ATOM 940 CA LEU A 61 0.348 0.448 28.138 1.00 0.00 C ATOM 941 C LEU A 61 1.744 -0.044 28.506 1.00 0.00 C ATOM 942 O LEU A 61 2.315 -0.893 27.821 1.00 0.00 O ATOM 943 CB LEU A 61 0.450 1.706 27.274 1.00 0.00 C ATOM 944 CG LEU A 61 1.566 1.713 26.228 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.343 0.613 25.202 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.649 3.071 25.546 1.00 0.00 C ATOM 0 H LEU A 61 -0.364 1.676 29.681 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.156 -0.335 27.571 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.502 1.849 26.762 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.590 2.564 27.932 1.00 0.00 H new ATOM 0 HG LEU A 61 2.513 1.524 26.734 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.147 0.634 24.466 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.334 -0.355 25.703 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.388 0.771 24.701 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.448 3.058 24.805 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.701 3.289 25.054 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.857 3.840 26.290 1.00 0.00 H new ATOM 958 N CYS A 62 2.287 0.493 29.593 1.00 0.00 N ATOM 959 CA CYS A 62 3.617 0.107 30.054 1.00 0.00 C ATOM 960 C CYS A 62 3.568 -1.219 30.805 1.00 0.00 C ATOM 961 O CYS A 62 4.597 -1.859 31.024 1.00 0.00 O ATOM 962 CB CYS A 62 4.202 1.196 30.955 1.00 0.00 C ATOM 963 SG CYS A 62 3.420 1.309 32.581 1.00 0.00 S ATOM 0 H CYS A 62 1.828 1.196 30.171 1.00 0.00 H new ATOM 0 HA CYS A 62 4.257 -0.015 29.180 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.267 1.008 31.089 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.109 2.158 30.451 1.00 0.00 H new ATOM 0 HG CYS A 62 2.152 1.043 32.472 1.00 0.00 H new ATOM 969 N LYS A 63 2.366 -1.627 31.199 1.00 0.00 N ATOM 970 CA LYS A 63 2.182 -2.877 31.926 1.00 0.00 C ATOM 971 C LYS A 63 1.959 -4.039 30.963 1.00 0.00 C ATOM 972 O LYS A 63 2.251 -5.190 31.285 1.00 0.00 O ATOM 973 CB LYS A 63 0.997 -2.762 32.887 1.00 0.00 C ATOM 974 CG LYS A 63 -0.354 -2.809 32.194 1.00 0.00 C ATOM 975 CD LYS A 63 -1.496 -2.774 33.196 1.00 0.00 C ATOM 976 CE LYS A 63 -1.936 -4.175 33.590 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.355 -4.436 33.219 1.00 0.00 N ATOM 0 H LYS A 63 1.504 -1.109 31.027 1.00 0.00 H new ATOM 0 HA LYS A 63 3.089 -3.072 32.499 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.051 -3.571 33.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.079 -1.827 33.442 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.443 -1.965 31.510 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.424 -3.715 31.592 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.184 -2.226 34.085 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.340 -2.233 32.768 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.293 -4.908 33.103 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.812 -4.306 34.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.892 -4.707 34.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.770 -3.576 32.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.396 -5.208 32.523 1.00 0.00 H new ATOM 991 N MET A 64 1.440 -3.729 29.779 1.00 0.00 N ATOM 992 CA MET A 64 1.180 -4.748 28.769 1.00 0.00 C ATOM 993 C MET A 64 2.422 -5.599 28.523 1.00 0.00 C ATOM 994 O MET A 64 3.548 -5.119 28.646 1.00 0.00 O ATOM 995 CB MET A 64 0.728 -4.095 27.461 1.00 0.00 C ATOM 996 CG MET A 64 -0.670 -3.502 27.529 1.00 0.00 C ATOM 997 SD MET A 64 -1.878 -4.459 26.593 1.00 0.00 S ATOM 998 CE MET A 64 -1.158 -4.401 24.954 1.00 0.00 C ATOM 0 H MET A 64 1.192 -2.781 29.496 1.00 0.00 H new ATOM 0 HA MET A 64 0.385 -5.396 29.138 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.434 -3.309 27.194 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.760 -4.837 26.664 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.986 -3.445 28.571 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.646 -2.481 27.147 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.951 -4.320 24.211 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.499 -3.536 24.877 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.585 -5.311 24.776 1.00 0.00 H new ATOM 1008 N ASN A 65 2.208 -6.863 28.175 1.00 0.00 N ATOM 1009 CA ASN A 65 3.311 -7.781 27.913 1.00 0.00 C ATOM 1010 C ASN A 65 3.280 -8.270 26.468 1.00 0.00 C ATOM 1011 O ASN A 65 2.384 -7.919 25.701 1.00 0.00 O ATOM 1012 CB ASN A 65 3.247 -8.975 28.868 1.00 0.00 C ATOM 1013 CG ASN A 65 2.686 -8.598 30.227 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.175 -7.675 30.877 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.656 -9.315 30.661 1.00 0.00 N ATOM 0 H ASN A 65 1.281 -7.276 28.068 1.00 0.00 H new ATOM 0 HA ASN A 65 4.245 -7.243 28.077 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.629 -9.757 28.427 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.247 -9.391 28.993 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.237 -9.109 31.568 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.283 -10.072 30.087 1.00 0.00 H new ATOM 1022 N LYS A 66 4.266 -9.083 26.103 1.00 0.00 N ATOM 1023 CA LYS A 66 4.353 -9.623 24.752 1.00 0.00 C ATOM 1024 C LYS A 66 3.035 -10.270 24.339 1.00 0.00 C ATOM 1025 O LYS A 66 2.606 -10.147 23.192 1.00 0.00 O ATOM 1026 CB LYS A 66 5.487 -10.646 24.661 1.00 0.00 C ATOM 1027 CG LYS A 66 5.676 -11.222 23.268 1.00 0.00 C ATOM 1028 CD LYS A 66 7.031 -10.848 22.690 1.00 0.00 C ATOM 1029 CE LYS A 66 7.200 -11.381 21.276 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.464 -12.152 21.120 1.00 0.00 N ATOM 0 H LYS A 66 5.017 -9.382 26.725 1.00 0.00 H new ATOM 0 HA LYS A 66 4.562 -8.798 24.071 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.417 -10.175 24.979 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.287 -11.460 25.358 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.583 -12.307 23.306 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.886 -10.857 22.612 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.139 -9.763 22.686 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.822 -11.245 23.327 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.353 -12.019 21.025 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.193 -10.549 20.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.346 -12.864 20.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.236 -11.504 20.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.694 -12.627 22.016 1.00 0.00 H new ATOM 1044 N GLU A 67 2.397 -10.958 25.281 1.00 0.00 N ATOM 1045 CA GLU A 67 1.128 -11.623 25.014 1.00 0.00 C ATOM 1046 C GLU A 67 0.023 -10.603 24.753 1.00 0.00 C ATOM 1047 O GLU A 67 -0.591 -10.597 23.686 1.00 0.00 O ATOM 1048 CB GLU A 67 0.740 -12.522 26.190 1.00 0.00 C ATOM 1049 CG GLU A 67 0.854 -14.006 25.886 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.171 -14.836 26.634 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.381 -14.574 27.837 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.762 -15.747 26.018 1.00 0.00 O ATOM 0 H GLU A 67 2.739 -11.069 26.236 1.00 0.00 H new ATOM 0 HA GLU A 67 1.250 -12.237 24.122 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.376 -12.285 27.043 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.285 -12.298 26.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.732 -14.164 24.814 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.855 -14.350 26.147 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.224 -9.744 25.735 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.254 -8.719 25.613 1.00 0.00 C ATOM 1061 C ASP A 68 -1.029 -7.868 24.366 1.00 0.00 C ATOM 1062 O ASP A 68 -1.974 -7.324 23.795 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.268 -7.829 26.857 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.228 -8.631 28.143 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.737 -9.771 28.146 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.689 -8.118 29.146 1.00 0.00 O ATOM 0 H ASP A 68 0.275 -9.737 26.625 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.219 -9.218 25.522 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.413 -7.154 26.827 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.164 -7.209 26.847 1.00 0.00 H new ATOM 1071 N PHE A 69 0.228 -7.758 23.951 1.00 0.00 N ATOM 1072 CA PHE A 69 0.578 -6.972 22.773 1.00 0.00 C ATOM 1073 C PHE A 69 0.343 -7.773 21.496 1.00 0.00 C ATOM 1074 O PHE A 69 -0.078 -7.226 20.475 1.00 0.00 O ATOM 1075 CB PHE A 69 2.040 -6.526 22.847 1.00 0.00 C ATOM 1076 CG PHE A 69 2.216 -5.141 23.402 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.795 -4.034 22.683 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.803 -4.947 24.642 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.957 -2.759 23.191 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.967 -3.674 25.155 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.543 -2.578 24.429 1.00 0.00 C ATOM 0 H PHE A 69 1.022 -8.203 24.412 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.063 -6.090 22.751 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.596 -7.230 23.466 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.475 -6.567 21.848 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.335 -4.169 21.715 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.136 -5.800 25.214 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.626 -1.904 22.620 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.426 -3.536 26.123 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.669 -1.582 24.828 1.00 0.00 H new ATOM 1091 N LEU A 70 0.619 -9.071 21.559 1.00 0.00 N ATOM 1092 CA LEU A 70 0.438 -9.948 20.408 1.00 0.00 C ATOM 1093 C LEU A 70 -1.042 -10.128 20.087 1.00 0.00 C ATOM 1094 O LEU A 70 -1.402 -10.541 18.984 1.00 0.00 O ATOM 1095 CB LEU A 70 1.084 -11.310 20.673 1.00 0.00 C ATOM 1096 CG LEU A 70 2.483 -11.514 20.093 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.041 -12.867 20.507 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.455 -11.388 18.576 1.00 0.00 C ATOM 0 H LEU A 70 0.969 -9.539 22.395 1.00 0.00 H new ATOM 0 HA LEU A 70 0.923 -9.484 19.549 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.134 -11.462 21.751 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.430 -12.084 20.272 1.00 0.00 H new ATOM 0 HG LEU A 70 3.137 -10.738 20.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.038 -12.994 20.085 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.098 -12.920 21.594 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.387 -13.658 20.139 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.460 -11.536 18.180 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.786 -12.142 18.161 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.099 -10.396 18.300 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.895 -9.814 21.056 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.336 -9.940 20.876 1.00 0.00 C ATOM 1112 C ARG A 71 -3.904 -8.714 20.166 1.00 0.00 C ATOM 1113 O ARG A 71 -5.112 -8.613 19.954 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.026 -10.124 22.229 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.696 -11.444 22.906 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.756 -11.828 23.927 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.638 -13.223 24.341 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.542 -13.846 25.089 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.624 -13.202 25.502 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.364 -15.118 25.424 1.00 0.00 N ATOM 0 H ARG A 71 -1.613 -9.470 21.974 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.525 -10.817 20.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.738 -9.305 22.888 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.105 -10.057 22.089 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.613 -12.229 22.154 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.726 -11.369 23.398 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.668 -11.182 24.801 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.746 -11.658 23.503 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.817 -13.748 24.040 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.765 -12.225 25.246 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.316 -13.683 26.076 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.533 -15.617 25.107 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.058 -15.596 25.998 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.025 -7.787 19.802 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.439 -6.570 19.115 1.00 0.00 C ATOM 1136 C ALA A 72 -2.542 -6.285 17.915 1.00 0.00 C ATOM 1137 O ALA A 72 -3.013 -5.852 16.863 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.427 -5.391 20.077 1.00 0.00 C ATOM 0 H ALA A 72 -2.021 -7.855 19.971 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.455 -6.716 18.749 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.738 -4.489 19.551 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.114 -5.586 20.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.420 -5.252 20.470 1.00 0.00 H new ATOM 1144 N THR A 73 -1.246 -6.530 18.080 1.00 0.00 N ATOM 1145 CA THR A 73 -0.282 -6.298 17.011 1.00 0.00 C ATOM 1146 C THR A 73 0.493 -7.569 16.684 1.00 0.00 C ATOM 1147 O THR A 73 0.615 -8.467 17.518 1.00 0.00 O ATOM 1148 CB THR A 73 0.714 -5.184 17.384 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.420 -4.747 16.218 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.705 -5.673 18.430 1.00 0.00 C ATOM 0 H THR A 73 -0.839 -6.889 18.944 1.00 0.00 H new ATOM 0 HA THR A 73 -0.851 -5.987 16.135 1.00 0.00 H new ATOM 0 HB THR A 73 0.152 -4.349 17.801 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.791 -4.645 15.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.399 -4.869 18.678 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.166 -5.977 19.327 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.261 -6.523 18.035 1.00 0.00 H new ATOM 1158 N THR A 74 1.017 -7.640 15.464 1.00 0.00 N ATOM 1159 CA THR A 74 1.781 -8.801 15.027 1.00 0.00 C ATOM 1160 C THR A 74 3.041 -8.980 15.867 1.00 0.00 C ATOM 1161 O THR A 74 3.454 -8.068 16.585 1.00 0.00 O ATOM 1162 CB THR A 74 2.179 -8.686 13.543 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.904 -9.853 13.138 1.00 0.00 O ATOM 1164 CG2 THR A 74 3.029 -7.447 13.306 1.00 0.00 C ATOM 0 H THR A 74 0.926 -6.906 14.761 1.00 0.00 H new ATOM 0 HA THR A 74 1.136 -9.670 15.156 1.00 0.00 H new ATOM 0 HB THR A 74 1.268 -8.601 12.951 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.152 -9.773 12.193 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.298 -7.387 12.251 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.464 -6.559 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.935 -7.507 13.909 1.00 0.00 H new ATOM 1172 N LEU A 75 3.647 -10.158 15.772 1.00 0.00 N ATOM 1173 CA LEU A 75 4.862 -10.455 16.524 1.00 0.00 C ATOM 1174 C LEU A 75 5.964 -9.453 16.197 1.00 0.00 C ATOM 1175 O LEU A 75 6.550 -8.845 17.093 1.00 0.00 O ATOM 1176 CB LEU A 75 5.340 -11.875 16.216 1.00 0.00 C ATOM 1177 CG LEU A 75 6.782 -12.198 16.611 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.987 -11.984 18.102 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.135 -13.626 16.221 1.00 0.00 C ATOM 0 H LEU A 75 3.318 -10.923 15.183 1.00 0.00 H new ATOM 0 HA LEU A 75 4.631 -10.378 17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.679 -12.578 16.724 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.230 -12.050 15.146 1.00 0.00 H new ATOM 0 HG LEU A 75 7.446 -11.522 16.073 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.018 -12.219 18.365 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.776 -10.944 18.353 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.314 -12.635 18.659 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.164 -13.838 16.510 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.465 -14.319 16.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.029 -13.746 15.143 1.00 0.00 H new ATOM 1191 N TYR A 76 6.239 -9.283 14.908 1.00 0.00 N ATOM 1192 CA TYR A 76 7.271 -8.355 14.463 1.00 0.00 C ATOM 1193 C TYR A 76 7.101 -6.992 15.128 1.00 0.00 C ATOM 1194 O TYR A 76 8.043 -6.449 15.703 1.00 0.00 O ATOM 1195 CB TYR A 76 7.226 -8.201 12.942 1.00 0.00 C ATOM 1196 CG TYR A 76 8.311 -7.304 12.391 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.206 -5.921 12.474 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.442 -7.840 11.787 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.195 -5.098 11.972 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.437 -7.024 11.284 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.308 -5.654 11.378 1.00 0.00 C ATOM 1202 OH TYR A 76 11.297 -4.838 10.877 1.00 0.00 O ATOM 0 H TYR A 76 5.761 -9.776 14.154 1.00 0.00 H new ATOM 0 HA TYR A 76 8.240 -8.763 14.752 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.313 -9.186 12.483 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.254 -7.800 12.655 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.336 -5.482 12.939 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.545 -8.912 11.710 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.097 -4.025 12.044 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.311 -7.457 10.820 1.00 0.00 H new ATOM 0 HH TYR A 76 12.012 -5.388 10.493 1.00 0.00 H new ATOM 1212 N ASN A 77 5.892 -6.446 15.044 1.00 0.00 N ATOM 1213 CA ASN A 77 5.597 -5.147 15.638 1.00 0.00 C ATOM 1214 C ASN A 77 5.722 -5.202 17.157 1.00 0.00 C ATOM 1215 O ASN A 77 6.179 -4.249 17.789 1.00 0.00 O ATOM 1216 CB ASN A 77 4.190 -4.693 15.247 1.00 0.00 C ATOM 1217 CG ASN A 77 4.047 -4.472 13.753 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.038 -4.412 13.026 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.809 -4.351 13.289 1.00 0.00 N ATOM 0 H ASN A 77 5.101 -6.883 14.571 1.00 0.00 H new ATOM 0 HA ASN A 77 6.323 -4.428 15.258 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.467 -5.441 15.572 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.950 -3.769 15.773 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.650 -4.202 12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.017 -4.407 13.929 1.00 0.00 H new ATOM 1226 N THR A 78 5.314 -6.326 17.739 1.00 0.00 N ATOM 1227 CA THR A 78 5.379 -6.506 19.184 1.00 0.00 C ATOM 1228 C THR A 78 6.802 -6.318 19.697 1.00 0.00 C ATOM 1229 O THR A 78 7.017 -5.726 20.755 1.00 0.00 O ATOM 1230 CB THR A 78 4.876 -7.901 19.599 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.518 -8.077 19.181 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.975 -8.085 21.106 1.00 0.00 C ATOM 0 H THR A 78 4.935 -7.125 17.231 1.00 0.00 H new ATOM 0 HA THR A 78 4.733 -5.748 19.627 1.00 0.00 H new ATOM 0 HB THR A 78 5.505 -8.648 19.115 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.500 -8.421 18.263 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.614 -9.078 21.376 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.014 -7.979 21.418 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.368 -7.330 21.605 1.00 0.00 H new ATOM 1240 N GLU A 79 7.771 -6.825 18.942 1.00 0.00 N ATOM 1241 CA GLU A 79 9.174 -6.712 19.322 1.00 0.00 C ATOM 1242 C GLU A 79 9.634 -5.257 19.281 1.00 0.00 C ATOM 1243 O GLU A 79 10.390 -4.808 20.143 1.00 0.00 O ATOM 1244 CB GLU A 79 10.047 -7.560 18.395 1.00 0.00 C ATOM 1245 CG GLU A 79 10.032 -9.041 18.731 1.00 0.00 C ATOM 1246 CD GLU A 79 11.425 -9.634 18.821 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.074 -9.462 19.874 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.865 -10.268 17.840 1.00 0.00 O ATOM 0 H GLU A 79 7.610 -7.318 18.064 1.00 0.00 H new ATOM 0 HA GLU A 79 9.277 -7.079 20.343 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.708 -7.426 17.368 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.073 -7.196 18.443 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.516 -9.189 19.680 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.462 -9.576 17.972 1.00 0.00 H new ATOM 1255 N VAL A 80 9.171 -4.524 18.273 1.00 0.00 N ATOM 1256 CA VAL A 80 9.533 -3.120 18.119 1.00 0.00 C ATOM 1257 C VAL A 80 8.997 -2.285 19.276 1.00 0.00 C ATOM 1258 O VAL A 80 9.759 -1.622 19.983 1.00 0.00 O ATOM 1259 CB VAL A 80 8.998 -2.545 16.794 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.295 -1.056 16.700 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.594 -3.292 15.610 1.00 0.00 C ATOM 0 H VAL A 80 8.544 -4.879 17.551 1.00 0.00 H new ATOM 0 HA VAL A 80 10.622 -3.072 18.114 1.00 0.00 H new ATOM 0 HB VAL A 80 7.916 -2.678 16.771 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.910 -0.667 15.757 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.816 -0.536 17.530 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.372 -0.896 16.745 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.205 -2.873 14.682 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.679 -3.193 15.626 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.325 -4.346 15.672 1.00 0.00 H new ATOM 1271 N LEU A 81 7.683 -2.320 19.466 1.00 0.00 N ATOM 1272 CA LEU A 81 7.044 -1.566 20.539 1.00 0.00 C ATOM 1273 C LEU A 81 7.691 -1.879 21.884 1.00 0.00 C ATOM 1274 O LEU A 81 8.164 -0.980 22.581 1.00 0.00 O ATOM 1275 CB LEU A 81 5.549 -1.885 20.593 1.00 0.00 C ATOM 1276 CG LEU A 81 4.750 -1.571 19.328 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.298 -1.993 19.495 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.841 -0.089 18.994 1.00 0.00 C ATOM 0 H LEU A 81 7.039 -2.863 18.891 1.00 0.00 H new ATOM 0 HA LEU A 81 7.175 -0.504 20.332 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.432 -2.945 20.819 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.110 -1.332 21.423 1.00 0.00 H new ATOM 0 HG LEU A 81 5.179 -2.137 18.501 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.745 -1.762 18.585 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.250 -3.065 19.686 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.857 -1.455 20.334 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.266 0.116 18.091 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.438 0.496 19.821 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.884 0.184 18.831 1.00 0.00 H new ATOM 1290 N LEU A 82 7.711 -3.158 22.242 1.00 0.00 N ATOM 1291 CA LEU A 82 8.303 -3.590 23.504 1.00 0.00 C ATOM 1292 C LEU A 82 9.721 -3.048 23.654 1.00 0.00 C ATOM 1293 O LEU A 82 10.078 -2.495 24.694 1.00 0.00 O ATOM 1294 CB LEU A 82 8.317 -5.118 23.586 1.00 0.00 C ATOM 1295 CG LEU A 82 7.109 -5.764 24.265 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.115 -5.469 25.757 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.815 -5.278 23.629 1.00 0.00 C ATOM 0 H LEU A 82 7.324 -3.914 21.677 1.00 0.00 H new ATOM 0 HA LEU A 82 7.695 -3.194 24.317 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.396 -5.516 22.574 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.216 -5.425 24.120 1.00 0.00 H new ATOM 0 HG LEU A 82 7.174 -6.843 24.128 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.248 -5.937 26.224 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.026 -5.867 26.203 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.075 -4.391 25.915 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.966 -5.749 24.125 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.742 -4.196 23.734 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.808 -5.541 22.571 1.00 0.00 H new ATOM 1309 N SER A 83 10.524 -3.210 22.607 1.00 0.00 N ATOM 1310 CA SER A 83 11.904 -2.738 22.624 1.00 0.00 C ATOM 1311 C SER A 83 11.960 -1.228 22.837 1.00 0.00 C ATOM 1312 O SER A 83 12.732 -0.734 23.658 1.00 0.00 O ATOM 1313 CB SER A 83 12.606 -3.106 21.315 1.00 0.00 C ATOM 1314 OG SER A 83 13.937 -2.618 21.296 1.00 0.00 O ATOM 0 H SER A 83 10.243 -3.664 21.738 1.00 0.00 H new ATOM 0 HA SER A 83 12.418 -3.223 23.454 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.611 -4.189 21.193 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.052 -2.693 20.472 1.00 0.00 H new ATOM 0 HG SER A 83 14.365 -2.867 20.450 1.00 0.00 H new ATOM 1320 N HIS A 84 11.135 -0.501 22.090 1.00 0.00 N ATOM 1321 CA HIS A 84 11.089 0.953 22.197 1.00 0.00 C ATOM 1322 C HIS A 84 10.718 1.382 23.613 1.00 0.00 C ATOM 1323 O HIS A 84 11.466 2.110 24.268 1.00 0.00 O ATOM 1324 CB HIS A 84 10.084 1.527 21.198 1.00 0.00 C ATOM 1325 CG HIS A 84 10.278 2.987 20.925 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.153 3.627 20.114 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.519 3.972 21.521 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.908 4.973 20.233 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.917 5.154 21.088 1.00 0.00 N flip ATOM 0 H HIS A 84 10.490 -0.894 21.405 1.00 0.00 H new ATOM 0 HA HIS A 84 12.081 1.341 21.967 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.162 0.977 20.260 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.075 1.368 21.578 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.723 3.803 22.231 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.439 5.756 19.712 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.526 6.054 21.366 1.00 0.00 H new ATOM 1337 N LEU A 85 9.560 0.929 24.080 1.00 0.00 N ATOM 1338 CA LEU A 85 9.090 1.267 25.419 1.00 0.00 C ATOM 1339 C LEU A 85 10.101 0.836 26.476 1.00 0.00 C ATOM 1340 O LEU A 85 10.170 1.419 27.558 1.00 0.00 O ATOM 1341 CB LEU A 85 7.739 0.602 25.689 1.00 0.00 C ATOM 1342 CG LEU A 85 6.661 1.497 26.302 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.586 1.819 25.275 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.049 0.833 27.527 1.00 0.00 C ATOM 0 H LEU A 85 8.929 0.327 23.551 1.00 0.00 H new ATOM 0 HA LEU A 85 8.974 2.349 25.474 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.359 0.202 24.749 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.901 -0.246 26.354 1.00 0.00 H new ATOM 0 HG LEU A 85 7.127 2.431 26.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.828 2.457 25.730 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.036 2.337 24.428 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.123 0.894 24.930 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.284 1.484 27.950 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.598 -0.117 27.239 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.826 0.655 28.271 1.00 0.00 H new ATOM 1356 N SER A 86 10.886 -0.188 26.155 1.00 0.00 N ATOM 1357 CA SER A 86 11.893 -0.698 27.077 1.00 0.00 C ATOM 1358 C SER A 86 12.834 0.417 27.525 1.00 0.00 C ATOM 1359 O SER A 86 13.148 0.541 28.709 1.00 0.00 O ATOM 1360 CB SER A 86 12.694 -1.823 26.420 1.00 0.00 C ATOM 1361 OG SER A 86 14.001 -1.390 26.083 1.00 0.00 O ATOM 0 H SER A 86 10.843 -0.681 25.263 1.00 0.00 H new ATOM 0 HA SER A 86 11.380 -1.092 27.954 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.753 -2.675 27.097 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.178 -2.165 25.523 1.00 0.00 H new ATOM 0 HG SER A 86 13.999 -1.020 25.176 1.00 0.00 H new ATOM 1367 N TYR A 87 13.280 1.225 26.570 1.00 0.00 N ATOM 1368 CA TYR A 87 14.187 2.328 26.864 1.00 0.00 C ATOM 1369 C TYR A 87 13.449 3.472 27.552 1.00 0.00 C ATOM 1370 O TYR A 87 13.836 3.916 28.633 1.00 0.00 O ATOM 1371 CB TYR A 87 14.846 2.831 25.578 1.00 0.00 C ATOM 1372 CG TYR A 87 15.643 4.103 25.763 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.721 4.148 26.639 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.317 5.258 25.064 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.452 5.308 26.812 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.044 6.422 25.230 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.109 6.442 26.105 1.00 0.00 C ATOM 1378 OH TYR A 87 17.834 7.599 26.274 1.00 0.00 O ATOM 0 H TYR A 87 13.028 1.137 25.585 1.00 0.00 H new ATOM 0 HA TYR A 87 14.959 1.960 27.540 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.503 2.054 25.189 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.075 3.002 24.827 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.992 3.262 27.194 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.482 5.247 24.379 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.287 5.327 27.497 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.779 7.311 24.677 1.00 0.00 H new ATOM 0 HH TYR A 87 17.463 8.304 25.703 1.00 0.00 H new ATOM 1388 N LEU A 88 12.382 3.945 26.917 1.00 0.00 N ATOM 1389 CA LEU A 88 11.586 5.037 27.466 1.00 0.00 C ATOM 1390 C LEU A 88 11.179 4.743 28.907 1.00 0.00 C ATOM 1391 O LEU A 88 11.069 5.653 29.729 1.00 0.00 O ATOM 1392 CB LEU A 88 10.340 5.268 26.609 1.00 0.00 C ATOM 1393 CG LEU A 88 10.555 6.038 25.306 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.283 5.174 24.289 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.224 6.519 24.745 1.00 0.00 C ATOM 0 H LEU A 88 12.048 3.589 26.021 1.00 0.00 H new ATOM 0 HA LEU A 88 12.197 5.939 27.457 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.905 4.298 26.367 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.606 5.806 27.209 1.00 0.00 H new ATOM 0 HG LEU A 88 11.173 6.910 25.520 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.427 5.739 23.368 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.253 4.880 24.690 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.692 4.283 24.079 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.396 7.065 23.818 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.581 5.661 24.547 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.740 7.176 25.468 1.00 0.00 H new