USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.2!) USER MOD Set 2.1: A 48 CYS SG : rot 11:sc= -1.86! USER MOD Set 2.2: A 55 MET CE :methyl -164:sc= -3.35 (180deg=-2.72) USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= -0.81 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.341 K(o=-1.2,f=-3.7!) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 147:sc= 0.706 (180deg=-0.0689) USER MOD Set 4.2: A 38 THR OG1 : rot -100:sc= -0.291 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.665 X(o=-0.66,f=-0.41) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.17) USER MOD Single : A 25 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.2) USER MOD Single : A 28 SER OG : rot 107:sc= 1.29 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0592 F(o=-1.1,f=-0.059) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -169:sc= 1.38 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 172:sc= -0.507 (180deg=-0.668) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.659 F(o=-2.2!,f=-0.66) USER MOD Single : A 68 ASN : amide:sc= 0.242 K(o=0.24,f=-0.33) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 75 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.15) USER MOD Single : A 78 MET CE :methyl 161:sc= -1.08 (180deg=-1.55) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.25 F(o=-2.1,f=-0.25) USER MOD Single : A 89 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -0.939 15.598 1.266 1.00 0.00 N ATOM 243 CA HIS A 17 -0.818 14.172 1.465 1.00 0.00 C ATOM 244 C HIS A 17 -2.153 13.534 1.772 1.00 0.00 C ATOM 245 O HIS A 17 -3.022 14.137 2.400 1.00 0.00 O ATOM 246 CB HIS A 17 0.212 13.849 2.560 1.00 0.00 C ATOM 247 CG HIS A 17 -0.205 14.244 3.947 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.032 15.513 4.452 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.782 13.522 4.936 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.480 15.557 5.690 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.941 14.361 6.010 1.00 0.00 N ATOM 0 HA HIS A 17 -0.460 13.745 0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.413 12.778 2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.148 14.352 2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.064 12.481 4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.472 16.424 6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.349 14.103 6.909 1.00 0.00 H new ATOM 260 N ILE A 18 -2.305 12.306 1.337 1.00 0.00 N ATOM 261 CA ILE A 18 -3.525 11.565 1.533 1.00 0.00 C ATOM 262 C ILE A 18 -3.219 10.182 2.095 1.00 0.00 C ATOM 263 O ILE A 18 -2.057 9.766 2.177 1.00 0.00 O ATOM 264 CB ILE A 18 -4.322 11.413 0.210 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.437 10.795 -0.879 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.869 12.760 -0.244 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.174 10.479 -2.167 1.00 0.00 C ATOM 0 H ILE A 18 -1.581 11.791 0.835 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.135 12.126 2.241 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.165 10.746 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.618 11.480 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.991 9.878 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.425 12.633 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.532 13.161 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.043 13.452 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.480 10.045 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.976 9.769 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.597 11.395 -2.578 1.00 0.00 H new ATOM 279 N ASN A 19 -4.248 9.478 2.494 1.00 0.00 N ATOM 280 CA ASN A 19 -4.098 8.141 3.032 1.00 0.00 C ATOM 281 C ASN A 19 -4.589 7.126 2.028 1.00 0.00 C ATOM 282 O ASN A 19 -5.705 7.214 1.548 1.00 0.00 O ATOM 283 CB ASN A 19 -4.881 8.004 4.346 1.00 0.00 C ATOM 284 CG ASN A 19 -4.847 6.596 4.923 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.714 5.779 4.641 1.00 0.00 O ATOM 286 ND2 ASN A 19 -3.846 6.308 5.735 1.00 0.00 N ATOM 0 H ASN A 19 -5.212 9.810 2.457 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.043 7.960 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.472 8.699 5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.918 8.294 4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.777 5.379 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.142 7.015 5.947 1.00 0.00 H new ATOM 293 N LEU A 20 -3.752 6.185 1.689 1.00 0.00 N ATOM 294 CA LEU A 20 -4.127 5.145 0.753 1.00 0.00 C ATOM 295 C LEU A 20 -4.135 3.823 1.473 1.00 0.00 C ATOM 296 O LEU A 20 -3.292 3.575 2.341 1.00 0.00 O ATOM 297 CB LEU A 20 -3.165 5.087 -0.453 1.00 0.00 C ATOM 298 CG LEU A 20 -3.116 6.331 -1.368 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.510 6.766 -1.780 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.381 7.467 -0.696 1.00 0.00 C ATOM 0 H LEU A 20 -2.799 6.111 2.045 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.120 5.369 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.159 4.903 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.438 4.227 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.569 6.056 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.442 7.643 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.999 5.956 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.092 7.011 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.360 8.331 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.891 7.733 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.360 7.158 -0.471 1.00 0.00 H new ATOM 312 N LYS A 21 -5.081 2.980 1.155 1.00 0.00 N ATOM 313 CA LYS A 21 -5.189 1.698 1.805 1.00 0.00 C ATOM 314 C LYS A 21 -5.273 0.606 0.773 1.00 0.00 C ATOM 315 O LYS A 21 -5.914 0.758 -0.243 1.00 0.00 O ATOM 316 CB LYS A 21 -6.415 1.660 2.725 1.00 0.00 C ATOM 317 CG LYS A 21 -6.434 2.779 3.752 1.00 0.00 C ATOM 318 CD LYS A 21 -7.621 2.676 4.698 1.00 0.00 C ATOM 319 CE LYS A 21 -8.947 2.836 3.973 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.074 2.976 4.929 1.00 0.00 N ATOM 0 H LYS A 21 -5.792 3.158 0.446 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.300 1.540 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.318 1.719 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.442 0.701 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.510 2.755 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.464 3.740 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.599 1.710 5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.536 3.441 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.906 3.712 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.118 1.973 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.975 2.879 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.006 2.236 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.031 3.911 5.382 1.00 0.00 H new ATOM 334 N VAL A 22 -4.650 -0.508 1.043 1.00 0.00 N ATOM 335 CA VAL A 22 -4.635 -1.604 0.097 1.00 0.00 C ATOM 336 C VAL A 22 -5.204 -2.851 0.745 1.00 0.00 C ATOM 337 O VAL A 22 -4.830 -3.202 1.860 1.00 0.00 O ATOM 338 CB VAL A 22 -3.210 -1.904 -0.433 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.217 -3.037 -1.426 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.548 -0.679 -1.020 1.00 0.00 C ATOM 0 H VAL A 22 -4.143 -0.687 1.910 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.249 -1.306 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.617 -2.212 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.201 -3.220 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.603 -3.937 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.851 -2.775 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.552 -0.940 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.146 -0.305 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.468 0.093 -0.255 1.00 0.00 H new ATOM 350 N ALA A 23 -6.099 -3.518 0.047 1.00 0.00 N ATOM 351 CA ALA A 23 -6.738 -4.716 0.547 1.00 0.00 C ATOM 352 C ALA A 23 -6.404 -5.887 -0.363 1.00 0.00 C ATOM 353 O ALA A 23 -6.634 -5.837 -1.577 1.00 0.00 O ATOM 354 CB ALA A 23 -8.243 -4.517 0.625 1.00 0.00 C ATOM 0 H ALA A 23 -6.405 -3.243 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.369 -4.928 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.711 -5.426 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.466 -3.688 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.633 -4.294 -0.368 1.00 0.00 H new ATOM 360 N GLY A 24 -5.858 -6.937 0.203 1.00 0.00 N ATOM 361 CA GLY A 24 -5.481 -8.066 -0.592 1.00 0.00 C ATOM 362 C GLY A 24 -6.453 -9.203 -0.482 1.00 0.00 C ATOM 363 O GLY A 24 -7.326 -9.210 0.384 1.00 0.00 O ATOM 0 H GLY A 24 -5.669 -7.027 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.403 -7.760 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.493 -8.408 -0.285 1.00 0.00 H new ATOM 367 N GLN A 25 -6.290 -10.189 -1.357 1.00 0.00 N ATOM 368 CA GLN A 25 -7.134 -11.393 -1.380 1.00 0.00 C ATOM 369 C GLN A 25 -7.040 -12.202 -0.078 1.00 0.00 C ATOM 370 O GLN A 25 -7.750 -13.186 0.113 1.00 0.00 O ATOM 371 CB GLN A 25 -6.782 -12.276 -2.595 1.00 0.00 C ATOM 372 CG GLN A 25 -5.285 -12.334 -2.961 1.00 0.00 C ATOM 373 CD GLN A 25 -4.394 -12.886 -1.858 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.204 -14.089 -1.744 1.00 0.00 O ATOM 375 NE2 GLN A 25 -3.806 -11.997 -1.066 1.00 0.00 N ATOM 0 H GLN A 25 -5.567 -10.182 -2.077 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.167 -11.057 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.130 -13.290 -2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.336 -11.911 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.164 -12.949 -3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.946 -11.330 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.990 -11.002 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.171 -12.310 -0.332 1.00 0.00 H new ATOM 384 N ASP A 26 -6.156 -11.786 0.808 1.00 0.00 N ATOM 385 CA ASP A 26 -5.984 -12.436 2.092 1.00 0.00 C ATOM 386 C ASP A 26 -6.971 -11.856 3.097 1.00 0.00 C ATOM 387 O ASP A 26 -7.324 -12.486 4.089 1.00 0.00 O ATOM 388 CB ASP A 26 -4.546 -12.224 2.582 1.00 0.00 C ATOM 389 CG ASP A 26 -4.279 -12.857 3.930 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.096 -14.085 3.986 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.240 -12.121 4.939 1.00 0.00 O ATOM 0 H ASP A 26 -5.538 -10.989 0.658 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.173 -13.505 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.854 -12.639 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.343 -11.155 2.643 1.00 0.00 H new ATOM 396 N GLY A 27 -7.445 -10.652 2.810 1.00 0.00 N ATOM 397 CA GLY A 27 -8.371 -9.979 3.689 1.00 0.00 C ATOM 398 C GLY A 27 -7.668 -8.897 4.437 1.00 0.00 C ATOM 399 O GLY A 27 -8.285 -7.980 4.984 1.00 0.00 O ATOM 0 H GLY A 27 -7.199 -10.126 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.194 -9.558 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.806 -10.693 4.389 1.00 0.00 H new ATOM 403 N SER A 28 -6.362 -8.985 4.425 1.00 0.00 N ATOM 404 CA SER A 28 -5.517 -8.061 5.113 1.00 0.00 C ATOM 405 C SER A 28 -5.410 -6.743 4.357 1.00 0.00 C ATOM 406 O SER A 28 -5.203 -6.719 3.137 1.00 0.00 O ATOM 407 CB SER A 28 -4.145 -8.684 5.298 1.00 0.00 C ATOM 408 OG SER A 28 -4.208 -9.806 6.170 1.00 0.00 O ATOM 0 H SER A 28 -5.854 -9.716 3.926 1.00 0.00 H new ATOM 0 HA SER A 28 -5.953 -7.843 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.748 -8.992 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.457 -7.942 5.703 1.00 0.00 H new ATOM 0 HG SER A 28 -4.106 -10.630 5.650 1.00 0.00 H new ATOM 414 N VAL A 29 -5.587 -5.659 5.076 1.00 0.00 N ATOM 415 CA VAL A 29 -5.494 -4.330 4.511 1.00 0.00 C ATOM 416 C VAL A 29 -4.431 -3.505 5.232 1.00 0.00 C ATOM 417 O VAL A 29 -4.286 -3.573 6.452 1.00 0.00 O ATOM 418 CB VAL A 29 -6.873 -3.610 4.555 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.523 -3.777 5.912 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.753 -2.131 4.197 1.00 0.00 C ATOM 0 H VAL A 29 -5.800 -5.673 6.073 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.196 -4.429 3.467 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.508 -4.080 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.486 -3.266 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.674 -4.837 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.878 -3.348 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.738 -1.665 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.087 -1.638 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.348 -2.032 3.190 1.00 0.00 H new ATOM 430 N VAL A 30 -3.688 -2.717 4.469 1.00 0.00 N ATOM 431 CA VAL A 30 -2.629 -1.891 5.022 1.00 0.00 C ATOM 432 C VAL A 30 -2.893 -0.434 4.686 1.00 0.00 C ATOM 433 O VAL A 30 -3.333 -0.118 3.580 1.00 0.00 O ATOM 434 CB VAL A 30 -1.242 -2.282 4.479 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.148 -1.610 5.297 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.066 -3.790 4.469 1.00 0.00 C ATOM 0 H VAL A 30 -3.802 -2.633 3.459 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.626 -2.046 6.101 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.165 -1.935 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.828 -1.895 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.262 -0.528 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.225 -1.926 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.078 -4.038 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.164 -4.175 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.829 -4.241 3.835 1.00 0.00 H new ATOM 446 N GLN A 31 -2.668 0.452 5.640 1.00 0.00 N ATOM 447 CA GLN A 31 -2.890 1.868 5.425 1.00 0.00 C ATOM 448 C GLN A 31 -1.564 2.623 5.308 1.00 0.00 C ATOM 449 O GLN A 31 -0.608 2.347 6.038 1.00 0.00 O ATOM 450 CB GLN A 31 -3.749 2.466 6.550 1.00 0.00 C ATOM 451 CG GLN A 31 -5.093 1.767 6.770 1.00 0.00 C ATOM 452 CD GLN A 31 -5.031 0.621 7.768 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.843 -0.586 7.274 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.189 0.824 8.968 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.331 0.214 6.573 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.429 1.979 4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.181 2.432 7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.934 3.517 6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.821 2.500 7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.455 1.386 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.332 1.774 9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.178 0.042 9.623 1.00 0.00 H new ATOM 463 N PHE A 32 -1.507 3.582 4.391 1.00 0.00 N ATOM 464 CA PHE A 32 -0.287 4.349 4.147 1.00 0.00 C ATOM 465 C PHE A 32 -0.592 5.844 4.084 1.00 0.00 C ATOM 466 O PHE A 32 -1.690 6.253 3.716 1.00 0.00 O ATOM 467 CB PHE A 32 0.365 3.915 2.826 1.00 0.00 C ATOM 468 CG PHE A 32 0.466 2.425 2.643 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.601 1.707 2.125 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.623 1.744 2.979 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.517 0.347 1.947 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.714 0.377 2.802 1.00 0.00 C ATOM 473 CZ PHE A 32 0.641 -0.320 2.284 1.00 0.00 C ATOM 0 H PHE A 32 -2.295 3.849 3.801 1.00 0.00 H new ATOM 0 HA PHE A 32 0.398 4.156 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.208 4.333 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.365 4.344 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.511 2.224 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.464 2.287 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.357 -0.198 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.622 -0.145 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.709 -1.389 2.143 1.00 0.00 H new ATOM 509 N ILE A 34 0.915 9.120 2.291 1.00 0.00 N ATOM 510 CA ILE A 34 1.877 9.655 1.324 1.00 0.00 C ATOM 511 C ILE A 34 1.309 10.869 0.608 1.00 0.00 C ATOM 512 O ILE A 34 0.117 11.163 0.704 1.00 0.00 O ATOM 513 CB ILE A 34 2.296 8.600 0.255 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.142 8.314 -0.708 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.756 7.309 0.923 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.542 7.484 -1.910 1.00 0.00 C ATOM 0 HA ILE A 34 2.759 9.936 1.899 1.00 0.00 H new ATOM 0 HB ILE A 34 3.128 9.012 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.350 7.796 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.726 9.260 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.044 6.587 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.611 7.517 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.943 6.899 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.672 7.323 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.312 8.009 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.930 6.522 -1.575 1.00 0.00 H new ATOM 528 N LYS A 35 2.153 11.570 -0.117 1.00 0.00 N ATOM 529 CA LYS A 35 1.730 12.731 -0.864 1.00 0.00 C ATOM 530 C LYS A 35 1.086 12.319 -2.178 1.00 0.00 C ATOM 531 O LYS A 35 1.499 11.346 -2.803 1.00 0.00 O ATOM 532 CB LYS A 35 2.910 13.675 -1.099 1.00 0.00 C ATOM 533 CG LYS A 35 3.359 14.397 0.164 1.00 0.00 C ATOM 534 CD LYS A 35 4.616 15.217 -0.068 1.00 0.00 C ATOM 535 CE LYS A 35 5.864 14.497 0.431 1.00 0.00 C ATOM 536 NZ LYS A 35 6.164 13.275 -0.344 1.00 0.00 N ATOM 0 H LYS A 35 3.146 11.352 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 35 0.981 13.266 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.748 13.106 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.633 14.412 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.559 15.050 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.542 13.668 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.720 15.429 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.523 16.177 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.716 15.175 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.732 14.234 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.194 13.138 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.726 12.454 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.784 13.373 -1.307 1.00 0.00 H new ATOM 550 N ARG A 36 0.075 13.065 -2.608 1.00 0.00 N ATOM 551 CA ARG A 36 -0.657 12.742 -3.842 1.00 0.00 C ATOM 552 C ARG A 36 0.207 12.951 -5.071 1.00 0.00 C ATOM 553 O ARG A 36 -0.104 12.473 -6.152 1.00 0.00 O ATOM 554 CB ARG A 36 -1.957 13.563 -3.954 1.00 0.00 C ATOM 555 CG ARG A 36 -1.764 15.064 -3.831 1.00 0.00 C ATOM 556 CD ARG A 36 -1.572 15.735 -5.184 1.00 0.00 C ATOM 557 NE ARG A 36 -1.082 17.099 -5.025 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.390 18.132 -5.807 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.190 17.971 -6.857 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.892 19.332 -5.530 1.00 0.00 N ATOM 0 H ARG A 36 -0.262 13.898 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.923 11.686 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.427 13.347 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.648 13.233 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.629 15.500 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.897 15.266 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.867 15.159 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.517 15.745 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.448 17.278 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.574 17.050 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.420 18.768 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.279 19.456 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.122 20.129 -6.123 1.00 0.00 H new ATOM 574 N HIS A 37 1.316 13.634 -4.901 1.00 0.00 N ATOM 575 CA HIS A 37 2.201 13.919 -6.011 1.00 0.00 C ATOM 576 C HIS A 37 3.378 12.955 -5.946 1.00 0.00 C ATOM 577 O HIS A 37 4.255 12.929 -6.811 1.00 0.00 O ATOM 578 CB HIS A 37 2.689 15.368 -5.927 1.00 0.00 C ATOM 579 CG HIS A 37 3.199 15.913 -7.220 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.523 16.182 -7.456 1.00 0.00 N ATOM 581 CD2 HIS A 37 2.540 16.261 -8.348 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.658 16.675 -8.671 1.00 0.00 C ATOM 583 NE2 HIS A 37 3.468 16.733 -9.233 1.00 0.00 N ATOM 0 H HIS A 37 1.629 14.004 -4.003 1.00 0.00 H new ATOM 0 HA HIS A 37 1.675 13.792 -6.957 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.870 15.997 -5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.481 15.431 -5.180 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.477 16.181 -8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.588 16.980 -9.129 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.272 17.074 -10.174 1.00 0.00 H new ATOM 592 N THR A 38 3.366 12.157 -4.899 1.00 0.00 N ATOM 593 CA THR A 38 4.384 11.184 -4.611 1.00 0.00 C ATOM 594 C THR A 38 3.999 9.810 -5.174 1.00 0.00 C ATOM 595 O THR A 38 2.841 9.424 -5.118 1.00 0.00 O ATOM 596 CB THR A 38 4.574 11.115 -3.077 1.00 0.00 C ATOM 597 OG1 THR A 38 5.440 12.169 -2.658 1.00 0.00 O ATOM 598 CG2 THR A 38 5.102 9.773 -2.597 1.00 0.00 C ATOM 0 H THR A 38 2.619 12.173 -4.205 1.00 0.00 H new ATOM 0 HA THR A 38 5.320 11.479 -5.086 1.00 0.00 H new ATOM 0 HB THR A 38 3.589 11.233 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.344 11.815 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.212 9.792 -1.513 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.402 8.986 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.071 9.578 -3.057 1.00 0.00 H new ATOM 606 N PRO A 39 4.972 9.067 -5.734 1.00 0.00 N ATOM 607 CA PRO A 39 4.729 7.741 -6.321 1.00 0.00 C ATOM 608 C PRO A 39 4.168 6.751 -5.303 1.00 0.00 C ATOM 609 O PRO A 39 4.747 6.529 -4.232 1.00 0.00 O ATOM 610 CB PRO A 39 6.128 7.296 -6.779 1.00 0.00 C ATOM 611 CG PRO A 39 7.048 8.104 -5.943 1.00 0.00 C ATOM 612 CD PRO A 39 6.390 9.441 -5.829 1.00 0.00 C ATOM 0 HA PRO A 39 3.991 7.778 -7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.279 6.228 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.281 7.487 -7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.193 7.650 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.032 8.186 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.728 9.990 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.590 10.071 -6.696 1.00 0.00 H new ATOM 620 N LEU A 40 3.044 6.145 -5.641 1.00 0.00 N ATOM 621 CA LEU A 40 2.395 5.168 -4.775 1.00 0.00 C ATOM 622 C LEU A 40 3.204 3.874 -4.692 1.00 0.00 C ATOM 623 O LEU A 40 2.997 3.046 -3.809 1.00 0.00 O ATOM 624 CB LEU A 40 0.949 4.897 -5.239 1.00 0.00 C ATOM 625 CG LEU A 40 0.717 4.786 -6.762 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.419 3.572 -7.354 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.770 4.738 -7.063 1.00 0.00 C ATOM 0 H LEU A 40 2.554 6.313 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 40 2.351 5.589 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.611 3.970 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.314 5.695 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 40 1.148 5.672 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.231 3.530 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.492 3.649 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.038 2.666 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.921 4.660 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.213 3.872 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.245 5.647 -6.695 1.00 0.00 H new ATOM 639 N SER A 41 4.117 3.712 -5.631 1.00 0.00 N ATOM 640 CA SER A 41 4.982 2.546 -5.730 1.00 0.00 C ATOM 641 C SER A 41 5.669 2.236 -4.400 1.00 0.00 C ATOM 642 O SER A 41 5.924 1.072 -4.073 1.00 0.00 O ATOM 643 CB SER A 41 6.016 2.835 -6.793 1.00 0.00 C ATOM 644 OG SER A 41 5.489 3.773 -7.717 1.00 0.00 O ATOM 0 H SER A 41 4.284 4.402 -6.364 1.00 0.00 H new ATOM 0 HA SER A 41 4.385 1.672 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.924 3.228 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.291 1.915 -7.308 1.00 0.00 H new ATOM 0 HG SER A 41 6.080 3.832 -8.496 1.00 0.00 H new ATOM 650 N LYS A 42 5.946 3.283 -3.626 1.00 0.00 N ATOM 651 CA LYS A 42 6.584 3.140 -2.327 1.00 0.00 C ATOM 652 C LYS A 42 5.734 2.261 -1.425 1.00 0.00 C ATOM 653 O LYS A 42 6.215 1.291 -0.833 1.00 0.00 O ATOM 654 CB LYS A 42 6.760 4.506 -1.668 1.00 0.00 C ATOM 655 CG LYS A 42 7.557 5.505 -2.485 1.00 0.00 C ATOM 656 CD LYS A 42 7.661 6.828 -1.751 1.00 0.00 C ATOM 657 CE LYS A 42 8.468 7.837 -2.524 1.00 0.00 C ATOM 658 NZ LYS A 42 8.749 9.051 -1.717 1.00 0.00 N ATOM 0 H LYS A 42 5.735 4.247 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 42 7.562 2.681 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.775 4.926 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.252 4.369 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.554 5.111 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.079 5.656 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.661 7.223 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.120 6.667 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.408 7.385 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.929 8.118 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.306 9.723 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.852 9.496 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.286 8.786 -0.866 1.00 0.00 H new ATOM 672 N LEU A 43 4.454 2.594 -1.336 1.00 0.00 N ATOM 673 CA LEU A 43 3.530 1.856 -0.490 1.00 0.00 C ATOM 674 C LEU A 43 3.257 0.468 -1.058 1.00 0.00 C ATOM 675 O LEU A 43 3.042 -0.485 -0.315 1.00 0.00 O ATOM 676 CB LEU A 43 2.211 2.644 -0.297 1.00 0.00 C ATOM 677 CG LEU A 43 1.216 2.655 -1.472 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.293 1.438 -1.426 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.405 3.936 -1.472 1.00 0.00 C ATOM 0 H LEU A 43 4.032 3.373 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 43 3.996 1.731 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.699 2.236 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.467 3.677 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 43 1.791 2.607 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.398 1.474 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.889 0.527 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.271 1.444 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.292 3.925 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.151 4.015 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.075 4.791 -1.569 1.00 0.00 H new ATOM 691 N MET A 44 3.276 0.347 -2.385 1.00 0.00 N ATOM 692 CA MET A 44 2.996 -0.933 -3.028 1.00 0.00 C ATOM 693 C MET A 44 4.055 -1.967 -2.684 1.00 0.00 C ATOM 694 O MET A 44 3.736 -3.081 -2.263 1.00 0.00 O ATOM 695 CB MET A 44 2.860 -0.791 -4.548 1.00 0.00 C ATOM 696 CG MET A 44 1.674 0.054 -4.987 1.00 0.00 C ATOM 697 SD MET A 44 1.171 -0.282 -6.688 1.00 0.00 S ATOM 698 CE MET A 44 2.687 0.043 -7.581 1.00 0.00 C ATOM 0 H MET A 44 3.480 1.112 -3.028 1.00 0.00 H new ATOM 0 HA MET A 44 2.038 -1.279 -2.639 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.774 -0.349 -4.945 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.769 -1.784 -4.989 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.833 -0.134 -4.320 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.929 1.109 -4.890 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.568 -0.259 -8.622 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.915 1.108 -7.536 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.503 -0.522 -7.130 1.00 0.00 H new ATOM 708 N LYS A 45 5.322 -1.610 -2.855 1.00 0.00 N ATOM 709 CA LYS A 45 6.404 -2.515 -2.515 1.00 0.00 C ATOM 710 C LYS A 45 6.435 -2.767 -1.017 1.00 0.00 C ATOM 711 O LYS A 45 6.744 -3.867 -0.569 1.00 0.00 O ATOM 712 CB LYS A 45 7.734 -1.958 -2.991 1.00 0.00 C ATOM 713 CG LYS A 45 7.870 -1.883 -4.506 1.00 0.00 C ATOM 714 CD LYS A 45 8.137 -3.257 -5.146 1.00 0.00 C ATOM 715 CE LYS A 45 9.372 -3.937 -4.559 1.00 0.00 C ATOM 716 NZ LYS A 45 9.857 -5.064 -5.402 1.00 0.00 N ATOM 0 H LYS A 45 5.620 -0.707 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 45 6.230 -3.465 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.867 -0.959 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.538 -2.578 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.958 -1.461 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.683 -1.204 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.268 -3.898 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.268 -3.136 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.169 -3.202 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.139 -4.308 -3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.696 -5.492 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.108 -5.780 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.106 -4.708 -6.347 1.00 0.00 H new ATOM 730 N ALA A 46 6.075 -1.753 -0.236 1.00 0.00 N ATOM 731 CA ALA A 46 6.035 -1.887 1.210 1.00 0.00 C ATOM 732 C ALA A 46 4.971 -2.898 1.609 1.00 0.00 C ATOM 733 O ALA A 46 5.152 -3.677 2.546 1.00 0.00 O ATOM 734 CB ALA A 46 5.763 -0.542 1.863 1.00 0.00 C ATOM 0 H ALA A 46 5.808 -0.832 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 46 7.005 -2.243 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.737 -0.662 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.553 0.159 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.804 -0.157 1.517 1.00 0.00 H new ATOM 740 N TYR A 47 3.852 -2.888 0.881 1.00 0.00 N ATOM 741 CA TYR A 47 2.771 -3.821 1.115 1.00 0.00 C ATOM 742 C TYR A 47 3.256 -5.255 0.934 1.00 0.00 C ATOM 743 O TYR A 47 3.162 -6.069 1.842 1.00 0.00 O ATOM 744 CB TYR A 47 1.599 -3.537 0.155 1.00 0.00 C ATOM 745 CG TYR A 47 0.478 -4.564 0.214 1.00 0.00 C ATOM 746 CD1 TYR A 47 0.529 -5.720 -0.556 1.00 0.00 C ATOM 747 CD2 TYR A 47 -0.627 -4.374 1.032 1.00 0.00 C ATOM 748 CE1 TYR A 47 -0.481 -6.657 -0.515 1.00 0.00 C ATOM 749 CE2 TYR A 47 -1.647 -5.310 1.082 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.569 -6.448 0.306 1.00 0.00 C ATOM 751 OH TYR A 47 -2.573 -7.386 0.360 1.00 0.00 O ATOM 0 H TYR A 47 3.680 -2.233 0.119 1.00 0.00 H new ATOM 0 HA TYR A 47 2.425 -3.694 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.188 -2.554 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.982 -3.493 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.379 -5.888 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.693 -3.483 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.421 -7.549 -1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.499 -5.150 1.726 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.265 -7.088 0.986 1.00 0.00 H new ATOM 761 N CYS A 48 3.805 -5.555 -0.235 1.00 0.00 N ATOM 762 CA CYS A 48 4.266 -6.906 -0.528 1.00 0.00 C ATOM 763 C CYS A 48 5.380 -7.345 0.423 1.00 0.00 C ATOM 764 O CYS A 48 5.433 -8.504 0.829 1.00 0.00 O ATOM 765 CB CYS A 48 4.696 -7.045 -1.999 1.00 0.00 C ATOM 766 SG CYS A 48 5.980 -5.894 -2.545 1.00 0.00 S ATOM 0 H CYS A 48 3.942 -4.886 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 48 3.422 -7.577 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.051 -8.063 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.818 -6.910 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 48 6.489 -5.290 -1.512 1.00 0.00 H new ATOM 772 N GLU A 49 6.246 -6.417 0.815 1.00 0.00 N ATOM 773 CA GLU A 49 7.335 -6.740 1.727 1.00 0.00 C ATOM 774 C GLU A 49 6.813 -7.112 3.114 1.00 0.00 C ATOM 775 O GLU A 49 7.259 -8.091 3.712 1.00 0.00 O ATOM 776 CB GLU A 49 8.333 -5.583 1.824 1.00 0.00 C ATOM 777 CG GLU A 49 9.134 -5.353 0.554 1.00 0.00 C ATOM 778 CD GLU A 49 10.247 -4.350 0.741 1.00 0.00 C ATOM 779 OE1 GLU A 49 9.954 -3.152 0.932 1.00 0.00 O ATOM 780 OE2 GLU A 49 11.434 -4.756 0.694 1.00 0.00 O ATOM 0 H GLU A 49 6.215 -5.442 0.518 1.00 0.00 H new ATOM 0 HA GLU A 49 7.852 -7.608 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.792 -4.669 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.022 -5.778 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.557 -6.300 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.466 -5.006 -0.234 1.00 0.00 H new ATOM 787 N ARG A 50 5.841 -6.351 3.617 1.00 0.00 N ATOM 788 CA ARG A 50 5.291 -6.604 4.950 1.00 0.00 C ATOM 789 C ARG A 50 4.337 -7.802 4.945 1.00 0.00 C ATOM 790 O ARG A 50 4.296 -8.585 5.891 1.00 0.00 O ATOM 791 CB ARG A 50 4.576 -5.355 5.499 1.00 0.00 C ATOM 792 CG ARG A 50 3.335 -4.955 4.716 1.00 0.00 C ATOM 793 CD ARG A 50 2.697 -3.689 5.258 1.00 0.00 C ATOM 794 NE ARG A 50 2.190 -3.857 6.620 1.00 0.00 N ATOM 795 CZ ARG A 50 2.520 -3.078 7.654 1.00 0.00 C ATOM 796 NH1 ARG A 50 3.459 -2.144 7.521 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.932 -3.253 8.831 1.00 0.00 N ATOM 0 H ARG A 50 5.421 -5.561 3.127 1.00 0.00 H new ATOM 0 HA ARG A 50 6.129 -6.841 5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.295 -5.537 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.276 -4.520 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.600 -4.806 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.610 -5.768 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.429 -2.882 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.879 -3.389 4.603 1.00 0.00 H new ATOM 0 HE ARG A 50 1.539 -4.623 6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.931 -2.020 6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.706 -1.553 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.228 -3.982 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.184 -2.658 9.620 1.00 0.00 H new ATOM 811 N GLN A 51 3.567 -7.940 3.872 1.00 0.00 N ATOM 812 CA GLN A 51 2.590 -9.020 3.749 1.00 0.00 C ATOM 813 C GLN A 51 3.250 -10.347 3.472 1.00 0.00 C ATOM 814 O GLN A 51 2.675 -11.402 3.720 1.00 0.00 O ATOM 815 CB GLN A 51 1.608 -8.704 2.634 1.00 0.00 C ATOM 816 CG GLN A 51 0.727 -7.531 2.926 1.00 0.00 C ATOM 817 CD GLN A 51 -0.353 -7.860 3.933 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.460 -8.236 3.563 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.027 -7.755 5.204 1.00 0.00 N ATOM 0 H GLN A 51 3.600 -7.313 3.068 1.00 0.00 H new ATOM 0 HA GLN A 51 2.065 -9.096 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.163 -8.511 1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.985 -9.579 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.334 -6.709 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.265 -7.187 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.906 -7.438 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.708 -7.991 5.926 1.00 0.00 H new ATOM 828 N GLY A 52 4.447 -10.307 2.955 1.00 0.00 N ATOM 829 CA GLY A 52 5.112 -11.523 2.612 1.00 0.00 C ATOM 830 C GLY A 52 4.690 -12.003 1.245 1.00 0.00 C ATOM 831 O GLY A 52 4.462 -13.193 1.024 1.00 0.00 O ATOM 0 H GLY A 52 4.973 -9.454 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.191 -11.369 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.886 -12.287 3.356 1.00 0.00 H new ATOM 835 N LEU A 53 4.589 -11.069 0.314 1.00 0.00 N ATOM 836 CA LEU A 53 4.209 -11.366 -1.050 1.00 0.00 C ATOM 837 C LEU A 53 5.266 -10.830 -1.993 1.00 0.00 C ATOM 838 O LEU A 53 6.136 -10.057 -1.592 1.00 0.00 O ATOM 839 CB LEU A 53 2.855 -10.746 -1.408 1.00 0.00 C ATOM 840 CG LEU A 53 1.604 -11.492 -0.942 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.609 -12.939 -1.412 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.437 -11.408 0.556 1.00 0.00 C ATOM 0 H LEU A 53 4.770 -10.080 0.488 1.00 0.00 H new ATOM 0 HA LEU A 53 4.123 -12.448 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.823 -9.739 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.805 -10.645 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 53 0.746 -11.000 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.705 -13.438 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.641 -12.968 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.484 -13.449 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.538 -11.949 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.305 -11.851 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.347 -10.363 0.854 1.00 0.00 H new ATOM 854 N SER A 54 5.211 -11.238 -3.232 1.00 0.00 N ATOM 855 CA SER A 54 6.143 -10.758 -4.220 1.00 0.00 C ATOM 856 C SER A 54 5.394 -9.994 -5.302 1.00 0.00 C ATOM 857 O SER A 54 4.224 -10.264 -5.558 1.00 0.00 O ATOM 858 CB SER A 54 6.893 -11.936 -4.830 1.00 0.00 C ATOM 859 OG SER A 54 7.588 -12.676 -3.840 1.00 0.00 O ATOM 0 H SER A 54 4.526 -11.906 -3.584 1.00 0.00 H new ATOM 0 HA SER A 54 6.861 -10.088 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.190 -12.589 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.599 -11.572 -5.577 1.00 0.00 H new ATOM 0 HG SER A 54 8.058 -13.426 -4.262 1.00 0.00 H new ATOM 865 N MET A 55 6.060 -9.032 -5.935 1.00 0.00 N ATOM 866 CA MET A 55 5.450 -8.254 -7.016 1.00 0.00 C ATOM 867 C MET A 55 5.012 -9.142 -8.174 1.00 0.00 C ATOM 868 O MET A 55 4.083 -8.822 -8.901 1.00 0.00 O ATOM 869 CB MET A 55 6.403 -7.163 -7.502 1.00 0.00 C ATOM 870 CG MET A 55 6.287 -5.890 -6.711 1.00 0.00 C ATOM 871 SD MET A 55 4.649 -5.162 -6.842 1.00 0.00 S ATOM 872 CE MET A 55 4.725 -3.992 -5.508 1.00 0.00 C ATOM 0 H MET A 55 7.022 -8.771 -5.720 1.00 0.00 H new ATOM 0 HA MET A 55 4.556 -7.779 -6.612 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.428 -7.530 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.201 -6.952 -8.552 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.511 -6.092 -5.664 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.031 -5.175 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.718 -3.656 -5.260 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.175 -4.464 -4.635 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.329 -3.136 -5.809 1.00 0.00 H new ATOM 882 N ARG A 56 5.691 -10.261 -8.346 1.00 0.00 N ATOM 883 CA ARG A 56 5.336 -11.220 -9.389 1.00 0.00 C ATOM 884 C ARG A 56 4.233 -12.164 -8.900 1.00 0.00 C ATOM 885 O ARG A 56 3.612 -12.887 -9.678 1.00 0.00 O ATOM 886 CB ARG A 56 6.563 -12.029 -9.852 1.00 0.00 C ATOM 887 CG ARG A 56 7.329 -12.734 -8.732 1.00 0.00 C ATOM 888 CD ARG A 56 8.489 -11.892 -8.214 1.00 0.00 C ATOM 889 NE ARG A 56 9.516 -11.683 -9.232 1.00 0.00 N ATOM 890 CZ ARG A 56 10.633 -10.979 -9.043 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.869 -10.390 -7.871 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.514 -10.857 -10.025 1.00 0.00 N ATOM 0 H ARG A 56 6.494 -10.533 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 56 4.964 -10.655 -10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.236 -12.776 -10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.246 -11.359 -10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.647 -12.956 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.709 -13.688 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.113 -10.926 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.933 -12.382 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 56 9.369 -12.104 -10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.193 -10.476 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.725 -9.853 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.338 -11.302 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.368 -10.319 -9.880 1.00 0.00 H new ATOM 906 N GLN A 57 4.005 -12.155 -7.597 1.00 0.00 N ATOM 907 CA GLN A 57 3.010 -13.016 -6.971 1.00 0.00 C ATOM 908 C GLN A 57 1.663 -12.321 -6.827 1.00 0.00 C ATOM 909 O GLN A 57 0.648 -12.972 -6.609 1.00 0.00 O ATOM 910 CB GLN A 57 3.504 -13.487 -5.596 1.00 0.00 C ATOM 911 CG GLN A 57 4.183 -14.851 -5.611 1.00 0.00 C ATOM 912 CD GLN A 57 5.405 -14.895 -6.502 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.521 -14.660 -6.053 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.198 -15.165 -7.769 1.00 0.00 N ATOM 0 H GLN A 57 4.503 -11.552 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 57 2.870 -13.878 -7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.203 -12.750 -5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.657 -13.522 -4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.472 -15.118 -4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.468 -15.602 -5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.253 -15.355 -8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.982 -15.185 -8.421 1.00 0.00 H new ATOM 923 N ILE A 58 1.643 -10.999 -6.934 1.00 0.00 N ATOM 924 CA ILE A 58 0.394 -10.245 -6.791 1.00 0.00 C ATOM 925 C ILE A 58 0.329 -9.083 -7.776 1.00 0.00 C ATOM 926 O ILE A 58 1.250 -8.856 -8.550 1.00 0.00 O ATOM 927 CB ILE A 58 0.216 -9.678 -5.355 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.228 -8.554 -5.093 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.346 -10.779 -4.311 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.189 -8.001 -3.684 1.00 0.00 C ATOM 0 H ILE A 58 2.467 -10.426 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.409 -10.953 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.788 -9.262 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.231 -8.929 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.042 -7.742 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.217 -10.354 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.419 -11.536 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.333 -11.236 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.934 -7.212 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.199 -7.594 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.406 -8.799 -2.974 1.00 0.00 H new ATOM 942 N ARG A 59 -0.771 -8.346 -7.725 1.00 0.00 N ATOM 943 CA ARG A 59 -0.980 -7.171 -8.558 1.00 0.00 C ATOM 944 C ARG A 59 -1.963 -6.222 -7.907 1.00 0.00 C ATOM 945 O ARG A 59 -2.953 -6.650 -7.312 1.00 0.00 O ATOM 946 CB ARG A 59 -1.470 -7.552 -9.955 1.00 0.00 C ATOM 947 CG ARG A 59 -0.358 -7.790 -10.958 1.00 0.00 C ATOM 948 CD ARG A 59 0.420 -6.520 -11.232 1.00 0.00 C ATOM 949 NE ARG A 59 1.462 -6.727 -12.240 1.00 0.00 N ATOM 950 CZ ARG A 59 1.632 -5.971 -13.327 1.00 0.00 C ATOM 951 NH1 ARG A 59 0.821 -4.946 -13.565 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.620 -6.237 -14.174 1.00 0.00 N ATOM 0 H ARG A 59 -1.550 -8.549 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.017 -6.671 -8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.078 -8.454 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.119 -6.760 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.317 -8.558 -10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.780 -8.168 -11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.263 -5.741 -11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.875 -6.166 -10.307 1.00 0.00 H new ATOM 0 HE ARG A 59 2.105 -7.506 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.064 -4.733 -12.916 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.956 -4.372 -14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.249 -7.019 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.749 -5.659 -15.004 1.00 0.00 H new ATOM 966 N PHE A 60 -1.685 -4.934 -8.010 1.00 0.00 N ATOM 967 CA PHE A 60 -2.537 -3.908 -7.438 1.00 0.00 C ATOM 968 C PHE A 60 -3.458 -3.343 -8.516 1.00 0.00 C ATOM 969 O PHE A 60 -3.057 -3.190 -9.675 1.00 0.00 O ATOM 970 CB PHE A 60 -1.686 -2.782 -6.820 1.00 0.00 C ATOM 971 CG PHE A 60 -0.761 -3.242 -5.719 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.374 -3.980 -6.014 1.00 0.00 C ATOM 973 CD2 PHE A 60 -1.021 -2.931 -4.387 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.224 -4.403 -5.017 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.169 -3.353 -3.387 1.00 0.00 C ATOM 976 CZ PHE A 60 0.953 -4.088 -3.703 1.00 0.00 C ATOM 0 H PHE A 60 -0.863 -4.571 -8.492 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.142 -4.353 -6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.093 -2.316 -7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.351 -2.014 -6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.595 -4.227 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.898 -2.354 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.102 -4.981 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.381 -3.107 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.620 -4.417 -2.920 1.00 0.00 H new ATOM 986 N ARG A 61 -4.680 -3.035 -8.142 1.00 0.00 N ATOM 987 CA ARG A 61 -5.670 -2.522 -9.077 1.00 0.00 C ATOM 988 C ARG A 61 -6.526 -1.457 -8.442 1.00 0.00 C ATOM 989 O ARG A 61 -6.967 -1.581 -7.296 1.00 0.00 O ATOM 990 CB ARG A 61 -6.539 -3.668 -9.630 1.00 0.00 C ATOM 991 CG ARG A 61 -7.699 -3.218 -10.510 1.00 0.00 C ATOM 992 CD ARG A 61 -9.004 -3.147 -9.728 1.00 0.00 C ATOM 993 NE ARG A 61 -9.633 -4.461 -9.587 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.669 -4.728 -8.784 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.210 -3.768 -8.046 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.168 -5.957 -8.736 1.00 0.00 N ATOM 0 H ARG A 61 -5.020 -3.131 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.137 -2.062 -9.909 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.904 -4.342 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.937 -4.241 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.475 -2.239 -10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.812 -3.909 -11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.812 -2.730 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.692 -2.468 -10.232 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.254 -5.229 -10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.836 -2.820 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.000 -3.978 -7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.762 -6.695 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.958 -6.163 -8.125 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.740 -0.403 -9.186 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.573 0.690 -8.780 1.00 0.00 C ATOM 1012 C PHE A 62 -8.310 1.178 -9.989 1.00 0.00 C ATOM 1013 O PHE A 62 -7.772 1.151 -11.083 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.740 1.817 -8.188 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.553 2.980 -7.693 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.108 2.959 -6.435 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.757 4.093 -8.493 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.854 4.031 -5.972 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.498 5.164 -8.042 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.048 5.135 -6.779 1.00 0.00 C ATOM 0 H PHE A 62 -6.329 -0.282 -10.112 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.271 0.357 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.148 1.423 -7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.038 2.172 -8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.961 2.097 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.329 4.122 -9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.283 4.003 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.647 6.024 -8.677 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.629 5.972 -6.421 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.523 1.647 -9.797 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.369 2.086 -10.916 1.00 0.00 C ATOM 1032 C ASP A 63 -10.412 1.008 -11.986 1.00 0.00 C ATOM 1033 O ASP A 63 -10.380 1.293 -13.177 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.799 3.361 -11.526 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.800 4.123 -12.385 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.758 4.691 -11.828 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.622 4.171 -13.622 1.00 0.00 O ATOM 0 H ASP A 63 -9.958 1.739 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.375 2.273 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.449 4.013 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.930 3.107 -12.133 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.504 -0.239 -11.568 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.479 -1.343 -12.506 1.00 0.00 C ATOM 1044 C GLY A 64 -9.156 -1.543 -13.253 1.00 0.00 C ATOM 1045 O GLY A 64 -8.881 -2.636 -13.752 1.00 0.00 O ATOM 0 H GLY A 64 -10.596 -0.512 -10.590 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.714 -2.261 -11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.271 -1.192 -13.239 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.336 -0.516 -13.323 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.086 -0.592 -14.051 1.00 0.00 C ATOM 1051 C GLN A 65 -5.941 -1.001 -13.128 1.00 0.00 C ATOM 1052 O GLN A 65 -5.941 -0.679 -11.936 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.786 0.751 -14.744 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.793 1.943 -13.807 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.581 3.265 -14.515 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.970 4.200 -13.823 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -6.961 3.442 -15.673 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.514 0.386 -12.882 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.182 -1.359 -14.820 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.812 0.688 -15.229 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.523 0.915 -15.530 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.744 1.972 -13.275 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.013 1.811 -13.057 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.432 2.690 -16.176 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.805 4.341 -16.129 1.00 0.00 H new ATOM 1066 N PRO A 66 -4.964 -1.737 -13.655 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.818 -2.172 -12.876 1.00 0.00 C ATOM 1068 C PRO A 66 -2.921 -0.997 -12.529 1.00 0.00 C ATOM 1069 O PRO A 66 -2.728 -0.078 -13.335 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.099 -3.151 -13.805 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.501 -2.737 -15.176 1.00 0.00 C ATOM 1072 CD PRO A 66 -4.897 -2.192 -15.053 1.00 0.00 C ATOM 0 HA PRO A 66 -4.101 -2.622 -11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.018 -3.097 -13.676 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.394 -4.180 -13.600 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.821 -1.982 -15.570 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.472 -3.583 -15.863 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.071 -1.373 -15.751 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.646 -2.955 -15.263 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.370 -1.014 -11.342 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.521 0.064 -10.895 1.00 0.00 C ATOM 1082 C ILE A 67 -0.074 -0.247 -11.243 1.00 0.00 C ATOM 1083 O ILE A 67 0.349 -1.406 -11.197 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.657 0.294 -9.374 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.131 0.424 -8.980 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.889 1.538 -8.956 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.342 0.648 -7.501 1.00 0.00 C ATOM 0 H ILE A 67 -2.494 -1.766 -10.664 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.834 0.976 -11.402 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.235 -0.568 -8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.575 1.253 -9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.661 -0.480 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.994 1.687 -7.881 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.165 1.415 -9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.287 2.405 -9.483 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.409 0.731 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.928 -0.192 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.841 1.567 -7.197 1.00 0.00 H new ATOM 1099 N ASN A 68 0.691 0.771 -11.598 1.00 0.00 N ATOM 1100 CA ASN A 68 2.078 0.577 -11.973 1.00 0.00 C ATOM 1101 C ASN A 68 2.963 1.384 -11.071 1.00 0.00 C ATOM 1102 O ASN A 68 2.512 2.320 -10.413 1.00 0.00 O ATOM 1103 CB ASN A 68 2.342 1.010 -13.422 1.00 0.00 C ATOM 1104 CG ASN A 68 1.120 0.970 -14.295 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.800 -0.052 -14.903 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.442 2.087 -14.384 1.00 0.00 N ATOM 0 H ASN A 68 0.374 1.740 -11.634 1.00 0.00 H new ATOM 0 HA ASN A 68 2.295 -0.487 -11.880 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.745 2.023 -13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.107 0.363 -13.852 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.388 2.134 -14.975 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.744 2.910 -13.862 1.00 0.00 H new ATOM 1113 N GLU A 69 4.229 1.050 -11.052 1.00 0.00 N ATOM 1114 CA GLU A 69 5.197 1.770 -10.252 1.00 0.00 C ATOM 1115 C GLU A 69 5.486 3.139 -10.866 1.00 0.00 C ATOM 1116 O GLU A 69 6.108 3.995 -10.247 1.00 0.00 O ATOM 1117 CB GLU A 69 6.485 0.958 -10.148 1.00 0.00 C ATOM 1118 CG GLU A 69 7.152 0.718 -11.492 1.00 0.00 C ATOM 1119 CD GLU A 69 8.264 -0.294 -11.422 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.410 0.096 -11.110 1.00 0.00 O ATOM 1121 OE2 GLU A 69 7.997 -1.487 -11.686 1.00 0.00 O ATOM 0 H GLU A 69 4.620 0.275 -11.587 1.00 0.00 H new ATOM 0 HA GLU A 69 4.787 1.920 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.183 1.478 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.265 -0.003 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.403 0.379 -12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.549 1.661 -11.868 1.00 0.00 H new ATOM 1128 N THR A 70 5.068 3.329 -12.102 1.00 0.00 N ATOM 1129 CA THR A 70 5.278 4.584 -12.781 1.00 0.00 C ATOM 1130 C THR A 70 4.074 5.504 -12.662 1.00 0.00 C ATOM 1131 O THR A 70 4.045 6.590 -13.253 1.00 0.00 O ATOM 1132 CB THR A 70 5.618 4.348 -14.257 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.666 3.438 -14.833 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.015 3.769 -14.387 1.00 0.00 C ATOM 0 H THR A 70 4.579 2.625 -12.655 1.00 0.00 H new ATOM 0 HA THR A 70 6.120 5.076 -12.294 1.00 0.00 H new ATOM 0 HB THR A 70 5.578 5.301 -14.785 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.884 3.290 -15.777 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.245 3.606 -15.440 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.738 4.465 -13.961 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.067 2.820 -13.853 1.00 0.00 H new ATOM 1142 N ASP A 71 3.074 5.090 -11.900 1.00 0.00 N ATOM 1143 CA ASP A 71 1.897 5.912 -11.705 1.00 0.00 C ATOM 1144 C ASP A 71 1.870 6.551 -10.324 1.00 0.00 C ATOM 1145 O ASP A 71 2.467 6.047 -9.372 1.00 0.00 O ATOM 1146 CB ASP A 71 0.631 5.107 -11.931 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.007 5.441 -13.248 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.684 6.476 -13.336 1.00 0.00 O ATOM 1149 OD2 ASP A 71 0.193 4.688 -14.206 1.00 0.00 O ATOM 0 H ASP A 71 3.056 4.195 -11.411 1.00 0.00 H new ATOM 0 HA ASP A 71 1.944 6.713 -12.442 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.865 4.043 -11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.075 5.303 -11.124 1.00 0.00 H new ATOM 1154 N THR A 72 1.179 7.670 -10.223 1.00 0.00 N ATOM 1155 CA THR A 72 1.015 8.376 -8.967 1.00 0.00 C ATOM 1156 C THR A 72 -0.453 8.396 -8.570 1.00 0.00 C ATOM 1157 O THR A 72 -1.324 8.300 -9.426 1.00 0.00 O ATOM 1158 CB THR A 72 1.528 9.826 -9.066 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.428 10.295 -10.413 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.956 9.932 -8.584 1.00 0.00 C ATOM 0 H THR A 72 0.714 8.117 -11.013 1.00 0.00 H new ATOM 0 HA THR A 72 1.600 7.850 -8.213 1.00 0.00 H new ATOM 0 HB THR A 72 0.905 10.449 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.755 11.217 -10.463 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.292 10.966 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.013 9.613 -7.543 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.595 9.294 -9.195 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.749 8.536 -7.268 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.126 8.555 -6.763 1.00 0.00 C ATOM 1170 C PRO A 73 -2.965 9.656 -7.411 1.00 0.00 C ATOM 1171 O PRO A 73 -4.176 9.511 -7.609 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.958 8.826 -5.256 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.562 9.321 -5.101 1.00 0.00 C ATOM 1174 CD PRO A 73 0.230 8.686 -6.189 1.00 0.00 C ATOM 0 HA PRO A 73 -2.651 7.626 -6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.679 9.565 -4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.122 7.920 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.524 10.408 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.162 9.055 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.071 9.309 -6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.640 7.725 -5.880 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.316 10.744 -7.771 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.996 11.871 -8.369 1.00 0.00 C ATOM 1184 C ALA A 74 -3.375 11.597 -9.821 1.00 0.00 C ATOM 1185 O ALA A 74 -4.217 12.289 -10.397 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.134 13.104 -8.262 1.00 0.00 C ATOM 0 H ALA A 74 -1.310 10.871 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.924 12.037 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.651 13.950 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.935 13.319 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.191 12.935 -8.782 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.764 10.583 -10.412 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.060 10.201 -11.787 1.00 0.00 C ATOM 1194 C GLN A 75 -4.412 9.524 -11.865 1.00 0.00 C ATOM 1195 O GLN A 75 -5.185 9.745 -12.793 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.980 9.267 -12.309 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.685 9.963 -12.678 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.818 10.837 -13.908 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.581 10.389 -15.028 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.196 12.085 -13.716 1.00 0.00 N ATOM 0 H GLN A 75 -2.056 10.005 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.083 11.100 -12.404 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.771 8.512 -11.552 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.361 8.743 -13.186 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.354 10.574 -11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.088 9.214 -12.852 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.384 12.421 -12.772 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.301 12.714 -14.512 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.702 8.697 -10.875 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.967 8.004 -10.820 1.00 0.00 C ATOM 1211 C LEU A 76 -7.003 8.884 -10.145 1.00 0.00 C ATOM 1212 O LEU A 76 -8.171 8.516 -10.022 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.820 6.680 -10.069 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.543 5.888 -10.368 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.497 6.158 -9.305 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.837 4.400 -10.457 1.00 0.00 C ATOM 0 H LEU A 76 -4.073 8.492 -10.099 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.295 7.784 -11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.858 6.884 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.679 6.052 -10.304 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.155 6.215 -11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.595 5.589 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.261 7.222 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.882 5.857 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.915 3.859 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.250 4.054 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.557 4.218 -11.255 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.548 10.065 -9.698 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.394 11.060 -9.038 1.00 0.00 C ATOM 1230 C GLU A 77 -8.034 10.493 -7.782 1.00 0.00 C ATOM 1231 O GLU A 77 -9.130 10.898 -7.373 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.443 11.598 -10.008 1.00 0.00 C ATOM 1233 CG GLU A 77 -7.830 12.227 -11.247 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.846 12.904 -12.126 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.454 12.223 -12.973 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.024 14.135 -11.993 1.00 0.00 O ATOM 0 H GLU A 77 -5.574 10.354 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.763 11.894 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.105 10.785 -10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.059 12.338 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.077 12.955 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.316 11.457 -11.822 1.00 0.00 H new ATOM 1243 N MET A 78 -7.327 9.575 -7.150 1.00 0.00 N ATOM 1244 CA MET A 78 -7.792 8.936 -5.940 1.00 0.00 C ATOM 1245 C MET A 78 -7.628 9.880 -4.755 1.00 0.00 C ATOM 1246 O MET A 78 -6.960 10.912 -4.855 1.00 0.00 O ATOM 1247 CB MET A 78 -7.022 7.635 -5.714 1.00 0.00 C ATOM 1248 CG MET A 78 -5.571 7.835 -5.338 1.00 0.00 C ATOM 1249 SD MET A 78 -4.494 6.545 -5.996 1.00 0.00 S ATOM 1250 CE MET A 78 -5.263 5.080 -5.337 1.00 0.00 C ATOM 0 H MET A 78 -6.412 9.253 -7.465 1.00 0.00 H new ATOM 0 HA MET A 78 -8.851 8.697 -6.040 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.515 7.065 -4.926 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.072 7.033 -6.622 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.235 8.805 -5.706 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.482 7.858 -4.252 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.938 4.210 -5.908 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.976 4.957 -4.293 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.347 5.175 -5.407 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.221 9.537 -3.635 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.178 10.397 -2.467 1.00 0.00 C ATOM 1262 C GLU A 79 -7.909 9.586 -1.216 1.00 0.00 C ATOM 1263 O GLU A 79 -7.728 8.372 -1.282 1.00 0.00 O ATOM 1264 CB GLU A 79 -9.500 11.139 -2.329 1.00 0.00 C ATOM 1265 CG GLU A 79 -10.670 10.232 -2.010 1.00 0.00 C ATOM 1266 CD GLU A 79 -11.990 10.917 -2.219 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -12.493 11.546 -1.270 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -12.526 10.846 -3.342 1.00 0.00 O ATOM 0 H GLU A 79 -8.740 8.669 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.369 11.116 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.407 11.889 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.707 11.673 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.620 9.343 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.596 9.896 -0.976 1.00 0.00 H new ATOM 1275 N ASP A 80 -7.874 10.256 -0.074 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.643 9.595 1.198 1.00 0.00 C ATOM 1277 C ASP A 80 -8.731 8.573 1.521 1.00 0.00 C ATOM 1278 O ASP A 80 -9.914 8.773 1.226 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.506 10.619 2.337 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.719 11.516 2.491 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -8.893 12.430 1.661 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.492 11.325 3.452 1.00 0.00 O ATOM 0 H ASP A 80 -8.004 11.265 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.703 9.052 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.335 10.088 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.627 11.237 2.156 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.279 7.457 2.095 1.00 0.00 N ATOM 1288 CA GLU A 81 -9.109 6.334 2.527 1.00 0.00 C ATOM 1289 C GLU A 81 -9.479 5.429 1.357 1.00 0.00 C ATOM 1290 O GLU A 81 -10.392 4.602 1.451 1.00 0.00 O ATOM 1291 CB GLU A 81 -10.340 6.817 3.289 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.997 7.430 4.633 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.103 6.439 5.773 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.424 5.402 5.735 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.871 6.700 6.722 1.00 0.00 O ATOM 0 H GLU A 81 -7.287 7.306 2.278 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.519 5.732 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.870 7.553 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.020 5.979 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.983 7.829 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.664 8.271 4.825 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.760 5.584 0.251 1.00 0.00 N ATOM 1303 CA ASP A 82 -8.957 4.739 -0.931 1.00 0.00 C ATOM 1304 C ASP A 82 -8.655 3.275 -0.610 1.00 0.00 C ATOM 1305 O ASP A 82 -7.822 2.975 0.244 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.056 5.211 -2.081 1.00 0.00 C ATOM 1307 CG ASP A 82 -7.099 4.126 -2.555 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -7.485 3.343 -3.438 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -5.972 4.057 -2.034 1.00 0.00 O ATOM 0 H ASP A 82 -8.031 6.289 0.144 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.001 4.823 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.678 5.533 -2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.483 6.080 -1.756 1.00 0.00 H new ATOM 1314 N THR A 83 -9.377 2.357 -1.234 1.00 0.00 N ATOM 1315 CA THR A 83 -9.097 0.952 -1.057 1.00 0.00 C ATOM 1316 C THR A 83 -8.598 0.286 -2.355 1.00 0.00 C ATOM 1317 O THR A 83 -9.343 0.117 -3.331 1.00 0.00 O ATOM 1318 CB THR A 83 -10.324 0.212 -0.524 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.848 0.938 0.597 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.949 -1.195 -0.081 1.00 0.00 C ATOM 0 H THR A 83 -10.154 2.563 -1.862 1.00 0.00 H new ATOM 0 HA THR A 83 -8.294 0.884 -0.323 1.00 0.00 H new ATOM 0 HB THR A 83 -11.071 0.140 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.637 0.474 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.835 -1.706 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.544 -1.748 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.199 -1.140 0.708 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.336 -0.098 -2.334 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.679 -0.756 -3.444 1.00 0.00 C ATOM 1330 C ILE A 84 -7.031 -2.238 -3.445 1.00 0.00 C ATOM 1331 O ILE A 84 -7.174 -2.850 -2.388 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.136 -0.633 -3.334 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.710 0.829 -3.144 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.469 -1.230 -4.565 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.845 1.672 -4.375 1.00 0.00 C ATOM 0 H ILE A 84 -6.727 0.042 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.018 -0.275 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.812 -1.192 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.309 1.270 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.672 0.853 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.387 -1.137 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.737 -2.283 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.805 -0.698 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.524 2.690 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.223 1.258 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.886 1.682 -4.697 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.170 -2.813 -4.618 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.482 -4.226 -4.741 1.00 0.00 C ATOM 1349 C ASP A 85 -6.275 -5.009 -5.224 1.00 0.00 C ATOM 1350 O ASP A 85 -5.703 -4.707 -6.264 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.639 -4.431 -5.704 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.970 -4.045 -5.114 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.609 -4.904 -4.469 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.397 -2.890 -5.305 1.00 0.00 O ATOM 0 H ASP A 85 -7.072 -2.324 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.765 -4.592 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.463 -3.844 -6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.672 -5.478 -6.007 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.875 -6.004 -4.460 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.756 -6.861 -4.832 1.00 0.00 C ATOM 1361 C VAL A 86 -5.226 -8.281 -5.111 1.00 0.00 C ATOM 1362 O VAL A 86 -6.069 -8.831 -4.390 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.664 -6.885 -3.735 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.563 -7.872 -4.078 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.085 -5.511 -3.553 1.00 0.00 C ATOM 0 H VAL A 86 -6.309 -6.245 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.324 -6.441 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.129 -7.206 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.811 -7.867 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.986 -8.872 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.100 -7.587 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.318 -5.539 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.642 -5.176 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.874 -4.820 -3.257 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.675 -8.882 -6.142 1.00 0.00 N ATOM 1376 CA PHE A 87 -5.012 -10.240 -6.522 1.00 0.00 C ATOM 1377 C PHE A 87 -3.749 -11.031 -6.798 1.00 0.00 C ATOM 1378 O PHE A 87 -2.722 -10.465 -7.194 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.961 -10.268 -7.728 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.636 -9.271 -8.803 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.133 -7.982 -8.732 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.852 -9.624 -9.885 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.853 -7.062 -9.715 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.569 -8.706 -10.878 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.069 -7.423 -10.791 1.00 0.00 C ATOM 0 H PHE A 87 -3.978 -8.443 -6.744 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.539 -10.707 -5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.947 -11.268 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.977 -10.087 -7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.749 -7.694 -7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.457 -10.627 -9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.246 -6.059 -9.645 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.957 -8.992 -11.721 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.847 -6.702 -11.564 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.804 -12.330 -6.557 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.654 -13.201 -6.722 1.00 0.00 C ATOM 1397 C GLN A 88 -2.347 -13.477 -8.197 1.00 0.00 C ATOM 1398 O GLN A 88 -3.211 -13.876 -8.973 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.902 -14.523 -5.994 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.633 -15.246 -5.573 1.00 0.00 C ATOM 1401 CD GLN A 88 -1.148 -14.831 -4.190 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.433 -13.603 -3.795 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 -0.533 -15.616 -3.480 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.647 -12.810 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.791 -12.692 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.508 -14.330 -5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.483 -15.179 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.813 -16.321 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.848 -15.048 -6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.330 -16.557 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.224 -15.329 -2.551 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.109 -13.243 -8.572 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.629 -13.525 -9.918 1.00 0.00 C ATOM 1414 C GLN A 89 0.176 -14.809 -9.938 1.00 0.00 C ATOM 1415 O GLN A 89 0.895 -15.098 -10.889 1.00 0.00 O ATOM 1416 CB GLN A 89 0.216 -12.373 -10.440 1.00 0.00 C ATOM 1417 CG GLN A 89 -0.580 -11.124 -10.739 1.00 0.00 C ATOM 1418 CD GLN A 89 -1.648 -11.348 -11.792 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.402 -11.187 -12.981 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.834 -11.714 -11.360 1.00 0.00 N ATOM 0 H GLN A 89 -0.399 -12.850 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.496 -13.644 -10.568 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.985 -12.136 -9.705 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.729 -12.692 -11.347 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.049 -10.769 -9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.097 -10.339 -11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.997 -11.837 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.591 -11.875 -12.024 1.00 0.00 H new