USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 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 72 THR OG1 : rot 121:sc= 1.17 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.871 K(o=2,f=-4.4) USER MOD Set 2.1: A 48 CYS SG : rot -4:sc= 0.0555 USER MOD Set 2.2: A 55 MET CE :methyl -117:sc= -1.57 (180deg=-2.55) USER MOD Set 3.1: A 28 SER OG : rot -140:sc= 1.21 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.619 K(o=0.59,f=-0.28!) USER MOD Set 4.1: A 25 GLN :FLIP amide:sc= -2.02! C(o=-5.1!,f=-2.3!) USER MOD Set 4.2: A 88 GLN :FLIP amide:sc= -0.272 F(o=-5.1,f=-2.3) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.259 F(o=-1.1,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.146 (180deg=-0.622) USER MOD Single : A 37 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.318 USER MOD Single : A 41 SER OG : rot -168:sc= 0.972 USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -1.08 (180deg=-2.97!) USER MOD Single : A 44 MET CE :methyl 169:sc= -1.61 (180deg=-2.26!) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 1.28 (180deg=1.17) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.44 X(o=-1.4,f=-0.96) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.815 F(o=-1.4!,f=-0.82) USER MOD Single : A 68 ASN : amide:sc= 1.22 K(o=1.2,f=-0.53) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00757 USER MOD Single : A 78 MET CE :methyl -130:sc= -0.534 (180deg=-2.89) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.42 K(o=-2.4,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -1.530 15.418 1.022 1.00 0.00 N ATOM 243 CA HIS A 17 -1.147 14.054 1.244 1.00 0.00 C ATOM 244 C HIS A 17 -2.368 13.237 1.570 1.00 0.00 C ATOM 245 O HIS A 17 -3.215 13.648 2.357 1.00 0.00 O ATOM 246 CB HIS A 17 -0.068 13.940 2.347 1.00 0.00 C ATOM 247 CG HIS A 17 -0.545 14.237 3.740 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.539 15.499 4.293 1.00 0.00 N ATOM 249 CD2 HIS A 17 -1.041 13.416 4.688 1.00 0.00 C ATOM 250 CE1 HIS A 17 -1.010 15.438 5.525 1.00 0.00 C ATOM 251 NE2 HIS A 17 -1.323 14.185 5.792 1.00 0.00 N ATOM 0 HA HIS A 17 -0.698 13.660 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.343 12.931 2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.748 14.621 2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.189 12.350 4.597 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.120 16.274 6.200 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.710 13.843 6.672 1.00 0.00 H new ATOM 260 N ILE A 18 -2.479 12.101 0.961 1.00 0.00 N ATOM 261 CA ILE A 18 -3.636 11.277 1.131 1.00 0.00 C ATOM 262 C ILE A 18 -3.272 9.928 1.719 1.00 0.00 C ATOM 263 O ILE A 18 -2.109 9.511 1.713 1.00 0.00 O ATOM 264 CB ILE A 18 -4.383 11.073 -0.210 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.440 10.488 -1.264 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.970 12.392 -0.699 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.136 10.083 -2.545 1.00 0.00 C ATOM 0 H ILE A 18 -1.773 11.717 0.333 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.296 11.796 1.826 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.199 10.370 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.669 11.222 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.935 9.618 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.491 12.231 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.671 12.775 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.168 13.115 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.405 9.677 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.888 9.325 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.617 10.954 -2.989 1.00 0.00 H new ATOM 279 N ASN A 19 -4.262 9.259 2.242 1.00 0.00 N ATOM 280 CA ASN A 19 -4.093 7.947 2.814 1.00 0.00 C ATOM 281 C ASN A 19 -4.546 6.909 1.820 1.00 0.00 C ATOM 282 O ASN A 19 -5.593 7.051 1.207 1.00 0.00 O ATOM 283 CB ASN A 19 -4.909 7.828 4.109 1.00 0.00 C ATOM 284 CG ASN A 19 -4.878 6.433 4.722 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.702 5.584 4.399 1.00 0.00 O ATOM 286 ND2 ASN A 19 -3.939 6.197 5.618 1.00 0.00 N ATOM 0 H ASN A 19 -5.219 9.610 2.285 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.041 7.787 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.527 8.544 4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.944 8.103 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.881 5.283 6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.271 6.928 5.861 1.00 0.00 H new ATOM 293 N LEU A 20 -3.760 5.894 1.623 1.00 0.00 N ATOM 294 CA LEU A 20 -4.140 4.828 0.729 1.00 0.00 C ATOM 295 C LEU A 20 -4.134 3.527 1.462 1.00 0.00 C ATOM 296 O LEU A 20 -3.223 3.237 2.231 1.00 0.00 O ATOM 297 CB LEU A 20 -3.223 4.743 -0.506 1.00 0.00 C ATOM 298 CG LEU A 20 -3.369 5.864 -1.545 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.835 6.139 -1.849 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.663 7.121 -1.084 1.00 0.00 C ATOM 0 H LEU A 20 -2.849 5.776 2.067 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.145 5.046 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.189 4.728 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.407 3.791 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.895 5.532 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.910 6.937 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.301 5.235 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.346 6.442 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.780 7.901 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.097 7.457 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.603 6.911 -0.941 1.00 0.00 H new ATOM 312 N LYS A 21 -5.159 2.754 1.265 1.00 0.00 N ATOM 313 CA LYS A 21 -5.256 1.470 1.886 1.00 0.00 C ATOM 314 C LYS A 21 -5.283 0.415 0.829 1.00 0.00 C ATOM 315 O LYS A 21 -5.856 0.610 -0.223 1.00 0.00 O ATOM 316 CB LYS A 21 -6.504 1.389 2.740 1.00 0.00 C ATOM 317 CG LYS A 21 -6.566 2.450 3.817 1.00 0.00 C ATOM 318 CD LYS A 21 -7.794 2.272 4.691 1.00 0.00 C ATOM 319 CE LYS A 21 -9.073 2.520 3.898 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.295 2.148 4.653 1.00 0.00 N ATOM 0 H LYS A 21 -5.951 2.996 0.669 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.391 1.316 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.381 1.481 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.553 0.405 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.668 2.400 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.583 3.438 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.808 1.263 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.746 2.960 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.127 3.573 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.037 1.950 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.135 2.336 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.260 1.137 4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.348 2.710 5.527 1.00 0.00 H new ATOM 334 N VAL A 22 -4.684 -0.703 1.099 1.00 0.00 N ATOM 335 CA VAL A 22 -4.617 -1.767 0.126 1.00 0.00 C ATOM 336 C VAL A 22 -5.180 -3.044 0.718 1.00 0.00 C ATOM 337 O VAL A 22 -4.860 -3.399 1.847 1.00 0.00 O ATOM 338 CB VAL A 22 -3.171 -2.017 -0.343 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.106 -3.152 -1.311 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.540 -0.777 -0.917 1.00 0.00 C ATOM 0 H VAL A 22 -4.230 -0.910 1.988 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.209 -1.463 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.592 -2.292 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.073 -3.304 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.478 -4.059 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.719 -2.922 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.521 -1.001 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.121 -0.437 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.520 0.006 -0.159 1.00 0.00 H new ATOM 350 N ALA A 23 -6.010 -3.740 -0.047 1.00 0.00 N ATOM 351 CA ALA A 23 -6.638 -4.958 0.414 1.00 0.00 C ATOM 352 C ALA A 23 -6.200 -6.144 -0.429 1.00 0.00 C ATOM 353 O ALA A 23 -6.232 -6.098 -1.661 1.00 0.00 O ATOM 354 CB ALA A 23 -8.153 -4.818 0.384 1.00 0.00 C ATOM 0 H ALA A 23 -6.262 -3.473 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.324 -5.135 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.611 -5.743 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.455 -3.996 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.479 -4.615 -0.636 1.00 0.00 H new ATOM 360 N GLY A 24 -5.778 -7.200 0.231 1.00 0.00 N ATOM 361 CA GLY A 24 -5.358 -8.381 -0.458 1.00 0.00 C ATOM 362 C GLY A 24 -6.414 -9.449 -0.434 1.00 0.00 C ATOM 363 O GLY A 24 -7.466 -9.283 0.178 1.00 0.00 O ATOM 0 H GLY A 24 -5.720 -7.256 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.117 -8.132 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.445 -8.763 -0.001 1.00 0.00 H new ATOM 367 N GLN A 25 -6.124 -10.563 -1.077 1.00 0.00 N ATOM 368 CA GLN A 25 -7.045 -11.690 -1.170 1.00 0.00 C ATOM 369 C GLN A 25 -7.376 -12.224 0.211 1.00 0.00 C ATOM 370 O GLN A 25 -8.467 -12.716 0.467 1.00 0.00 O ATOM 371 CB GLN A 25 -6.423 -12.809 -2.004 1.00 0.00 C ATOM 372 CG GLN A 25 -5.801 -12.354 -3.318 1.00 0.00 C ATOM 373 CD GLN A 25 -4.387 -11.812 -3.163 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.255 -10.502 -3.133 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -3.422 -12.562 -3.128 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.236 -10.717 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.961 -11.342 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.657 -13.305 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.190 -13.552 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.786 -13.193 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.431 -11.583 -3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.560 -13.572 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.479 -12.177 -3.074 1.00 0.00 H new ATOM 384 N ASP A 26 -6.415 -12.115 1.103 1.00 0.00 N ATOM 385 CA ASP A 26 -6.564 -12.581 2.479 1.00 0.00 C ATOM 386 C ASP A 26 -7.518 -11.682 3.270 1.00 0.00 C ATOM 387 O ASP A 26 -8.038 -12.069 4.314 1.00 0.00 O ATOM 388 CB ASP A 26 -5.190 -12.628 3.165 1.00 0.00 C ATOM 389 CG ASP A 26 -5.274 -12.997 4.632 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.569 -14.168 4.935 1.00 0.00 O ATOM 391 OD2 ASP A 26 -5.044 -12.112 5.484 1.00 0.00 O ATOM 0 H ASP A 26 -5.505 -11.701 0.902 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.991 -13.584 2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.557 -13.351 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.708 -11.655 3.068 1.00 0.00 H new ATOM 396 N GLY A 27 -7.789 -10.500 2.750 1.00 0.00 N ATOM 397 CA GLY A 27 -8.610 -9.551 3.468 1.00 0.00 C ATOM 398 C GLY A 27 -7.765 -8.660 4.341 1.00 0.00 C ATOM 399 O GLY A 27 -8.274 -7.856 5.123 1.00 0.00 O ATOM 0 H GLY A 27 -7.455 -10.178 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.174 -8.944 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.337 -10.084 4.081 1.00 0.00 H new ATOM 403 N SER A 28 -6.459 -8.805 4.213 1.00 0.00 N ATOM 404 CA SER A 28 -5.520 -8.024 4.971 1.00 0.00 C ATOM 405 C SER A 28 -5.357 -6.661 4.315 1.00 0.00 C ATOM 406 O SER A 28 -5.092 -6.566 3.112 1.00 0.00 O ATOM 407 CB SER A 28 -4.180 -8.755 5.026 1.00 0.00 C ATOM 408 OG SER A 28 -3.311 -8.193 5.989 1.00 0.00 O ATOM 0 H SER A 28 -6.025 -9.473 3.575 1.00 0.00 H new ATOM 0 HA SER A 28 -5.885 -7.885 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.349 -9.806 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.706 -8.719 4.045 1.00 0.00 H new ATOM 0 HG SER A 28 -2.397 -8.176 5.635 1.00 0.00 H new ATOM 414 N VAL A 29 -5.545 -5.610 5.086 1.00 0.00 N ATOM 415 CA VAL A 29 -5.448 -4.258 4.567 1.00 0.00 C ATOM 416 C VAL A 29 -4.366 -3.474 5.295 1.00 0.00 C ATOM 417 O VAL A 29 -4.225 -3.561 6.515 1.00 0.00 O ATOM 418 CB VAL A 29 -6.792 -3.504 4.714 1.00 0.00 C ATOM 419 CG1 VAL A 29 -6.747 -2.141 4.034 1.00 0.00 C ATOM 420 CG2 VAL A 29 -7.954 -4.336 4.190 1.00 0.00 C ATOM 0 H VAL A 29 -5.767 -5.665 6.080 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.194 -4.338 3.510 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.954 -3.337 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.707 -1.641 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.961 -1.535 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.540 -2.271 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.883 -3.778 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.795 -4.558 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.017 -5.268 4.752 1.00 0.00 H new ATOM 430 N VAL A 30 -3.603 -2.698 4.547 1.00 0.00 N ATOM 431 CA VAL A 30 -2.559 -1.860 5.118 1.00 0.00 C ATOM 432 C VAL A 30 -2.825 -0.412 4.742 1.00 0.00 C ATOM 433 O VAL A 30 -3.207 -0.126 3.611 1.00 0.00 O ATOM 434 CB VAL A 30 -1.154 -2.258 4.618 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.080 -1.585 5.456 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.979 -3.768 4.627 1.00 0.00 C ATOM 0 H VAL A 30 -3.687 -2.629 3.533 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.579 -1.994 6.200 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.051 -1.916 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.904 -1.877 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.187 -0.503 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.185 -1.892 6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.019 -4.021 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.107 -4.143 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.724 -4.224 3.975 1.00 0.00 H new ATOM 446 N GLN A 31 -2.668 0.503 5.689 1.00 0.00 N ATOM 447 CA GLN A 31 -2.910 1.915 5.420 1.00 0.00 C ATOM 448 C GLN A 31 -1.593 2.669 5.295 1.00 0.00 C ATOM 449 O GLN A 31 -0.625 2.364 5.991 1.00 0.00 O ATOM 450 CB GLN A 31 -3.768 2.561 6.524 1.00 0.00 C ATOM 451 CG GLN A 31 -5.042 1.801 6.897 1.00 0.00 C ATOM 452 CD GLN A 31 -4.809 0.733 7.953 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.614 -0.495 7.522 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -4.841 1.014 9.147 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.376 0.296 6.644 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.455 1.977 4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.155 2.670 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.045 3.565 6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.787 2.508 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.456 1.335 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.995 1.979 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.714 0.283 9.847 1.00 0.00 H new ATOM 463 N PHE A 32 -1.549 3.646 4.400 1.00 0.00 N ATOM 464 CA PHE A 32 -0.330 4.435 4.172 1.00 0.00 C ATOM 465 C PHE A 32 -0.666 5.921 4.031 1.00 0.00 C ATOM 466 O PHE A 32 -1.753 6.280 3.593 1.00 0.00 O ATOM 467 CB PHE A 32 0.375 3.973 2.890 1.00 0.00 C ATOM 468 CG PHE A 32 0.520 2.481 2.752 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.530 1.715 2.261 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.701 1.847 3.097 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.402 0.355 2.121 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.832 0.480 2.958 1.00 0.00 C ATOM 473 CZ PHE A 32 0.778 -0.266 2.468 1.00 0.00 C ATOM 0 H PHE A 32 -2.340 3.917 3.816 1.00 0.00 H new ATOM 0 HA PHE A 32 0.325 4.287 5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.179 4.351 2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.366 4.425 2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.458 2.195 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.528 2.427 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.227 -0.228 1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.757 -0.005 3.232 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.879 -1.336 2.357 1.00 0.00 H new ATOM 509 N ILE A 34 0.814 9.134 2.135 1.00 0.00 N ATOM 510 CA ILE A 34 1.782 9.664 1.172 1.00 0.00 C ATOM 511 C ILE A 34 1.229 10.893 0.462 1.00 0.00 C ATOM 512 O ILE A 34 0.041 11.181 0.540 1.00 0.00 O ATOM 513 CB ILE A 34 2.168 8.608 0.100 1.00 0.00 C ATOM 514 CG1 ILE A 34 0.966 8.280 -0.793 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.702 7.343 0.762 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.317 7.438 -1.999 1.00 0.00 C ATOM 0 HA ILE A 34 2.670 9.933 1.743 1.00 0.00 H new ATOM 0 HB ILE A 34 2.956 9.028 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.217 7.755 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.511 9.211 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.967 6.615 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.586 7.586 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.936 6.922 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.417 7.246 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.043 7.969 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.744 6.491 -1.670 1.00 0.00 H new ATOM 528 N LYS A 35 2.089 11.624 -0.235 1.00 0.00 N ATOM 529 CA LYS A 35 1.650 12.792 -0.971 1.00 0.00 C ATOM 530 C LYS A 35 1.039 12.389 -2.297 1.00 0.00 C ATOM 531 O LYS A 35 1.379 11.355 -2.864 1.00 0.00 O ATOM 532 CB LYS A 35 2.795 13.793 -1.199 1.00 0.00 C ATOM 533 CG LYS A 35 3.217 14.545 0.056 1.00 0.00 C ATOM 534 CD LYS A 35 4.123 13.715 0.940 1.00 0.00 C ATOM 535 CE LYS A 35 5.582 13.788 0.489 1.00 0.00 C ATOM 536 NZ LYS A 35 6.134 15.172 0.581 1.00 0.00 N ATOM 0 H LYS A 35 3.087 11.427 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 35 0.892 13.288 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.657 13.259 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.488 14.514 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.731 15.464 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.330 14.837 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.043 14.063 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.791 12.677 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.184 13.118 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.660 13.435 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.168 15.127 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.895 15.699 -0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.724 15.655 1.406 1.00 0.00 H new ATOM 550 N ARG A 36 0.146 13.218 -2.797 1.00 0.00 N ATOM 551 CA ARG A 36 -0.541 12.973 -4.057 1.00 0.00 C ATOM 552 C ARG A 36 0.429 12.949 -5.235 1.00 0.00 C ATOM 553 O ARG A 36 0.132 12.399 -6.291 1.00 0.00 O ATOM 554 CB ARG A 36 -1.568 14.056 -4.291 1.00 0.00 C ATOM 555 CG ARG A 36 -0.966 15.446 -4.296 1.00 0.00 C ATOM 556 CD ARG A 36 -1.890 16.424 -4.940 1.00 0.00 C ATOM 557 NE ARG A 36 -1.362 17.791 -4.908 1.00 0.00 N ATOM 558 CZ ARG A 36 -2.091 18.881 -5.168 1.00 0.00 C ATOM 559 NH1 ARG A 36 -3.381 18.762 -5.477 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.530 20.087 -5.111 1.00 0.00 N ATOM 0 H ARG A 36 -0.128 14.088 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.021 11.997 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.066 13.878 -5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.332 13.999 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.754 15.759 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.015 15.433 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.065 16.128 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.855 16.397 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.378 17.918 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.813 17.839 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.937 19.594 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.543 20.180 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.087 20.918 -5.309 1.00 0.00 H new ATOM 574 N HIS A 37 1.604 13.519 -5.047 1.00 0.00 N ATOM 575 CA HIS A 37 2.576 13.614 -6.120 1.00 0.00 C ATOM 576 C HIS A 37 3.663 12.583 -5.885 1.00 0.00 C ATOM 577 O HIS A 37 4.576 12.399 -6.689 1.00 0.00 O ATOM 578 CB HIS A 37 3.159 15.031 -6.161 1.00 0.00 C ATOM 579 CG HIS A 37 4.048 15.317 -7.344 1.00 0.00 C ATOM 580 ND1 HIS A 37 3.560 15.642 -8.589 1.00 0.00 N ATOM 581 CD2 HIS A 37 5.397 15.344 -7.456 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.564 15.855 -9.415 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.692 15.682 -8.753 1.00 0.00 N ATOM 0 H HIS A 37 1.909 13.923 -4.162 1.00 0.00 H new ATOM 0 HA HIS A 37 2.103 13.416 -7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.337 15.747 -6.161 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.729 15.200 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.109 15.138 -6.670 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.478 16.125 -10.457 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.630 15.783 -9.141 1.00 0.00 H new ATOM 592 N THR A 38 3.543 11.905 -4.773 1.00 0.00 N ATOM 593 CA THR A 38 4.462 10.884 -4.375 1.00 0.00 C ATOM 594 C THR A 38 4.048 9.543 -4.983 1.00 0.00 C ATOM 595 O THR A 38 2.880 9.176 -4.932 1.00 0.00 O ATOM 596 CB THR A 38 4.497 10.800 -2.830 1.00 0.00 C ATOM 597 OG1 THR A 38 5.432 11.753 -2.304 1.00 0.00 O ATOM 598 CG2 THR A 38 4.832 9.404 -2.335 1.00 0.00 C ATOM 0 H THR A 38 2.785 12.055 -4.108 1.00 0.00 H new ATOM 0 HA THR A 38 5.461 11.128 -4.737 1.00 0.00 H new ATOM 0 HB THR A 38 3.496 11.037 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.808 11.414 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.844 9.398 -1.245 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.080 8.701 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.812 9.110 -2.711 1.00 0.00 H new ATOM 606 N PRO A 39 5.000 8.814 -5.585 1.00 0.00 N ATOM 607 CA PRO A 39 4.720 7.531 -6.220 1.00 0.00 C ATOM 608 C PRO A 39 4.155 6.506 -5.238 1.00 0.00 C ATOM 609 O PRO A 39 4.780 6.176 -4.220 1.00 0.00 O ATOM 610 CB PRO A 39 6.084 7.071 -6.756 1.00 0.00 C ATOM 611 CG PRO A 39 7.088 7.877 -6.006 1.00 0.00 C ATOM 612 CD PRO A 39 6.420 9.181 -5.687 1.00 0.00 C ATOM 0 HA PRO A 39 3.962 7.628 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.233 6.004 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.164 7.242 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.397 7.364 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.986 8.035 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.794 9.608 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.589 9.922 -6.468 1.00 0.00 H new ATOM 620 N LEU A 40 2.968 6.001 -5.547 1.00 0.00 N ATOM 621 CA LEU A 40 2.303 4.996 -4.720 1.00 0.00 C ATOM 622 C LEU A 40 3.113 3.701 -4.670 1.00 0.00 C ATOM 623 O LEU A 40 2.905 2.849 -3.809 1.00 0.00 O ATOM 624 CB LEU A 40 0.867 4.742 -5.215 1.00 0.00 C ATOM 625 CG LEU A 40 0.658 4.682 -6.741 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.376 3.494 -7.359 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.824 4.637 -7.071 1.00 0.00 C ATOM 0 H LEU A 40 2.438 6.274 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 40 2.240 5.382 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.522 3.800 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.226 5.528 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 40 1.089 5.587 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.205 3.485 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.445 3.572 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.993 2.571 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.955 4.595 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.271 3.753 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.311 5.531 -6.681 1.00 0.00 H new ATOM 639 N SER A 41 4.029 3.567 -5.611 1.00 0.00 N ATOM 640 CA SER A 41 4.909 2.424 -5.726 1.00 0.00 C ATOM 641 C SER A 41 5.596 2.121 -4.399 1.00 0.00 C ATOM 642 O SER A 41 5.831 0.959 -4.051 1.00 0.00 O ATOM 643 CB SER A 41 5.942 2.751 -6.772 1.00 0.00 C ATOM 644 OG SER A 41 5.433 3.752 -7.645 1.00 0.00 O ATOM 0 H SER A 41 4.184 4.270 -6.334 1.00 0.00 H new ATOM 0 HA SER A 41 4.332 1.542 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.859 3.100 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.198 1.855 -7.338 1.00 0.00 H new ATOM 0 HG SER A 41 6.015 3.829 -8.429 1.00 0.00 H new ATOM 650 N LYS A 42 5.901 3.174 -3.650 1.00 0.00 N ATOM 651 CA LYS A 42 6.545 3.044 -2.358 1.00 0.00 C ATOM 652 C LYS A 42 5.692 2.205 -1.425 1.00 0.00 C ATOM 653 O LYS A 42 6.161 1.236 -0.826 1.00 0.00 O ATOM 654 CB LYS A 42 6.762 4.419 -1.742 1.00 0.00 C ATOM 655 CG LYS A 42 7.561 5.367 -2.607 1.00 0.00 C ATOM 656 CD LYS A 42 7.914 6.649 -1.866 1.00 0.00 C ATOM 657 CE LYS A 42 9.105 6.457 -0.927 1.00 0.00 C ATOM 658 NZ LYS A 42 8.758 5.760 0.344 1.00 0.00 N ATOM 0 H LYS A 42 5.708 4.137 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 42 7.508 2.554 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.791 4.868 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.272 4.300 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.476 4.874 -2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.990 5.611 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.143 7.433 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.051 6.986 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.877 5.887 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.532 7.432 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.229 6.235 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.728 5.787 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.075 4.771 0.295 1.00 0.00 H new ATOM 672 N LEU A 43 4.427 2.572 -1.312 1.00 0.00 N ATOM 673 CA LEU A 43 3.496 1.861 -0.450 1.00 0.00 C ATOM 674 C LEU A 43 3.205 0.470 -1.001 1.00 0.00 C ATOM 675 O LEU A 43 3.023 -0.477 -0.248 1.00 0.00 O ATOM 676 CB LEU A 43 2.186 2.670 -0.253 1.00 0.00 C ATOM 677 CG LEU A 43 1.164 2.656 -1.406 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.249 1.437 -1.321 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.342 3.930 -1.408 1.00 0.00 C ATOM 0 H LEU A 43 4.018 3.363 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 43 3.963 1.746 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.690 2.294 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.457 3.707 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 43 1.721 2.597 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.461 1.456 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.848 0.528 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.295 1.455 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.373 3.900 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.194 4.019 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.002 4.789 -1.533 1.00 0.00 H new ATOM 691 N MET A 44 3.173 0.346 -2.329 1.00 0.00 N ATOM 692 CA MET A 44 2.891 -0.938 -2.958 1.00 0.00 C ATOM 693 C MET A 44 3.962 -1.953 -2.616 1.00 0.00 C ATOM 694 O MET A 44 3.669 -3.061 -2.165 1.00 0.00 O ATOM 695 CB MET A 44 2.761 -0.811 -4.479 1.00 0.00 C ATOM 696 CG MET A 44 1.584 0.035 -4.938 1.00 0.00 C ATOM 697 SD MET A 44 1.146 -0.270 -6.663 1.00 0.00 S ATOM 698 CE MET A 44 2.701 0.049 -7.487 1.00 0.00 C ATOM 0 H MET A 44 3.338 1.113 -2.981 1.00 0.00 H new ATOM 0 HA MET A 44 1.935 -1.283 -2.565 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.680 -0.380 -4.876 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.666 -1.808 -4.908 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.722 -0.174 -4.305 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.826 1.090 -4.809 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.639 -0.285 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.913 1.118 -7.462 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.500 -0.491 -6.979 1.00 0.00 H new ATOM 708 N LYS A 45 5.212 -1.580 -2.819 1.00 0.00 N ATOM 709 CA LYS A 45 6.312 -2.459 -2.509 1.00 0.00 C ATOM 710 C LYS A 45 6.412 -2.695 -1.016 1.00 0.00 C ATOM 711 O LYS A 45 6.737 -3.789 -0.570 1.00 0.00 O ATOM 712 CB LYS A 45 7.605 -1.914 -3.089 1.00 0.00 C ATOM 713 CG LYS A 45 7.564 -1.898 -4.599 1.00 0.00 C ATOM 714 CD LYS A 45 8.863 -1.465 -5.226 1.00 0.00 C ATOM 715 CE LYS A 45 8.775 -1.618 -6.733 1.00 0.00 C ATOM 716 NZ LYS A 45 9.935 -1.016 -7.431 1.00 0.00 N ATOM 0 H LYS A 45 5.486 -0.673 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 45 6.128 -3.428 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.776 -0.904 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.443 -2.524 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.309 -2.895 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.769 -1.228 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.076 -0.428 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.685 -2.066 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.712 -2.677 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.857 -1.151 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.667 -0.776 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.232 -0.154 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.722 -1.696 -7.446 1.00 0.00 H new ATOM 730 N ALA A 46 6.087 -1.676 -0.233 1.00 0.00 N ATOM 731 CA ALA A 46 6.085 -1.805 1.215 1.00 0.00 C ATOM 732 C ALA A 46 5.026 -2.814 1.648 1.00 0.00 C ATOM 733 O ALA A 46 5.227 -3.583 2.592 1.00 0.00 O ATOM 734 CB ALA A 46 5.836 -0.457 1.868 1.00 0.00 C ATOM 0 H ALA A 46 5.822 -0.753 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 46 7.062 -2.164 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.838 -0.572 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.622 0.240 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.869 -0.070 1.546 1.00 0.00 H new ATOM 740 N TYR A 47 3.896 -2.819 0.940 1.00 0.00 N ATOM 741 CA TYR A 47 2.820 -3.749 1.211 1.00 0.00 C ATOM 742 C TYR A 47 3.299 -5.185 1.055 1.00 0.00 C ATOM 743 O TYR A 47 3.214 -5.974 1.984 1.00 0.00 O ATOM 744 CB TYR A 47 1.628 -3.484 0.276 1.00 0.00 C ATOM 745 CG TYR A 47 0.514 -4.521 0.361 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.521 -4.390 1.276 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.501 -5.624 -0.489 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.538 -5.329 1.348 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.507 -6.566 -0.426 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.525 -6.415 0.493 1.00 0.00 C ATOM 751 OH TYR A 47 -2.526 -7.356 0.562 1.00 0.00 O ATOM 0 H TYR A 47 3.710 -2.179 0.168 1.00 0.00 H new ATOM 0 HA TYR A 47 2.495 -3.601 2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.212 -2.503 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.991 -3.442 -0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.534 -3.541 1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.295 -5.745 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.335 -5.213 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.498 -7.416 -1.092 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.367 -8.053 -0.109 1.00 0.00 H new ATOM 761 N CYS A 48 3.846 -5.520 -0.107 1.00 0.00 N ATOM 762 CA CYS A 48 4.276 -6.885 -0.371 1.00 0.00 C ATOM 763 C CYS A 48 5.431 -7.298 0.545 1.00 0.00 C ATOM 764 O CYS A 48 5.507 -8.446 0.982 1.00 0.00 O ATOM 765 CB CYS A 48 4.653 -7.064 -1.849 1.00 0.00 C ATOM 766 SG CYS A 48 5.978 -5.985 -2.436 1.00 0.00 S ATOM 0 H CYS A 48 4.001 -4.869 -0.877 1.00 0.00 H new ATOM 0 HA CYS A 48 3.435 -7.543 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.951 -8.100 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.766 -6.889 -2.458 1.00 0.00 H new ATOM 0 HG CYS A 48 6.321 -5.164 -1.488 1.00 0.00 H new ATOM 772 N GLU A 49 6.308 -6.356 0.863 1.00 0.00 N ATOM 773 CA GLU A 49 7.446 -6.630 1.725 1.00 0.00 C ATOM 774 C GLU A 49 7.010 -6.976 3.142 1.00 0.00 C ATOM 775 O GLU A 49 7.578 -7.857 3.779 1.00 0.00 O ATOM 776 CB GLU A 49 8.386 -5.436 1.745 1.00 0.00 C ATOM 777 CG GLU A 49 9.161 -5.256 0.459 1.00 0.00 C ATOM 778 CD GLU A 49 10.208 -6.326 0.267 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.295 -6.209 0.865 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.950 -7.300 -0.470 1.00 0.00 O ATOM 0 H GLU A 49 6.251 -5.392 0.535 1.00 0.00 H new ATOM 0 HA GLU A 49 7.968 -7.496 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.809 -4.533 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.089 -5.551 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.470 -5.271 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.641 -4.277 0.460 1.00 0.00 H new ATOM 787 N ARG A 50 5.990 -6.297 3.637 1.00 0.00 N ATOM 788 CA ARG A 50 5.527 -6.539 4.992 1.00 0.00 C ATOM 789 C ARG A 50 4.536 -7.709 5.038 1.00 0.00 C ATOM 790 O ARG A 50 4.444 -8.423 6.036 1.00 0.00 O ATOM 791 CB ARG A 50 4.893 -5.270 5.590 1.00 0.00 C ATOM 792 CG ARG A 50 3.513 -4.930 5.036 1.00 0.00 C ATOM 793 CD ARG A 50 2.939 -3.668 5.674 1.00 0.00 C ATOM 794 NE ARG A 50 3.147 -3.630 7.128 1.00 0.00 N ATOM 795 CZ ARG A 50 2.181 -3.796 8.043 1.00 0.00 C ATOM 796 NH1 ARG A 50 0.939 -4.079 7.665 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.462 -3.688 9.334 1.00 0.00 N ATOM 0 H ARG A 50 5.471 -5.581 3.128 1.00 0.00 H new ATOM 0 HA ARG A 50 6.394 -6.807 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.817 -5.392 6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.560 -4.427 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.579 -4.794 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.835 -5.766 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.403 -2.792 5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.872 -3.610 5.461 1.00 0.00 H new ATOM 0 HE ARG A 50 4.095 -3.465 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.716 -4.171 6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.209 -4.204 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.414 -3.478 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.726 -3.815 10.029 1.00 0.00 H new ATOM 811 N GLN A 51 3.792 -7.904 3.953 1.00 0.00 N ATOM 812 CA GLN A 51 2.777 -8.955 3.887 1.00 0.00 C ATOM 813 C GLN A 51 3.359 -10.307 3.537 1.00 0.00 C ATOM 814 O GLN A 51 2.760 -11.345 3.820 1.00 0.00 O ATOM 815 CB GLN A 51 1.706 -8.586 2.879 1.00 0.00 C ATOM 816 CG GLN A 51 0.920 -7.370 3.273 1.00 0.00 C ATOM 817 CD GLN A 51 0.099 -7.583 4.533 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.063 -7.958 4.468 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.712 -7.375 5.687 1.00 0.00 N ATOM 0 H GLN A 51 3.872 -7.346 3.103 1.00 0.00 H new ATOM 0 HA GLN A 51 2.341 -9.035 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.173 -8.411 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.025 -9.428 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.604 -6.535 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.256 -7.091 2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.683 -7.062 5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.214 -7.528 6.564 1.00 0.00 H new ATOM 828 N GLY A 52 4.518 -10.313 2.930 1.00 0.00 N ATOM 829 CA GLY A 52 5.106 -11.559 2.522 1.00 0.00 C ATOM 830 C GLY A 52 4.638 -11.958 1.142 1.00 0.00 C ATOM 831 O GLY A 52 4.361 -13.127 0.875 1.00 0.00 O ATOM 0 H GLY A 52 5.066 -9.481 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.192 -11.471 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.845 -12.339 3.237 1.00 0.00 H new ATOM 835 N LEU A 53 4.546 -10.981 0.257 1.00 0.00 N ATOM 836 CA LEU A 53 4.123 -11.218 -1.111 1.00 0.00 C ATOM 837 C LEU A 53 5.184 -10.721 -2.085 1.00 0.00 C ATOM 838 O LEU A 53 6.051 -9.925 -1.723 1.00 0.00 O ATOM 839 CB LEU A 53 2.793 -10.527 -1.410 1.00 0.00 C ATOM 840 CG LEU A 53 1.517 -11.253 -0.970 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.461 -12.666 -1.531 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.367 -11.266 0.535 1.00 0.00 C ATOM 0 H LEU A 53 4.761 -10.006 0.465 1.00 0.00 H new ATOM 0 HA LEU A 53 3.989 -12.293 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.806 -9.547 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.733 -10.358 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 53 0.676 -10.693 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.544 -13.153 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.478 -12.626 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.321 -13.233 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.450 -11.790 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.221 -11.776 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.322 -10.242 0.905 1.00 0.00 H new ATOM 854 N SER A 54 5.122 -11.186 -3.316 1.00 0.00 N ATOM 855 CA SER A 54 6.065 -10.763 -4.330 1.00 0.00 C ATOM 856 C SER A 54 5.347 -9.986 -5.432 1.00 0.00 C ATOM 857 O SER A 54 4.177 -10.236 -5.712 1.00 0.00 O ATOM 858 CB SER A 54 6.767 -11.978 -4.932 1.00 0.00 C ATOM 859 OG SER A 54 7.441 -12.735 -3.943 1.00 0.00 O ATOM 0 H SER A 54 4.426 -11.859 -3.639 1.00 0.00 H new ATOM 0 HA SER A 54 6.807 -10.114 -3.864 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.035 -12.608 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.480 -11.649 -5.688 1.00 0.00 H new ATOM 0 HG SER A 54 7.878 -13.506 -4.362 1.00 0.00 H new ATOM 865 N MET A 55 6.048 -9.048 -6.065 1.00 0.00 N ATOM 866 CA MET A 55 5.476 -8.260 -7.162 1.00 0.00 C ATOM 867 C MET A 55 5.140 -9.134 -8.360 1.00 0.00 C ATOM 868 O MET A 55 4.301 -8.788 -9.183 1.00 0.00 O ATOM 869 CB MET A 55 6.416 -7.125 -7.572 1.00 0.00 C ATOM 870 CG MET A 55 6.299 -5.928 -6.674 1.00 0.00 C ATOM 871 SD MET A 55 4.633 -5.249 -6.687 1.00 0.00 S ATOM 872 CE MET A 55 4.729 -4.149 -5.301 1.00 0.00 C ATOM 0 H MET A 55 7.014 -8.813 -5.839 1.00 0.00 H new ATOM 0 HA MET A 55 4.547 -7.821 -6.797 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.444 -7.486 -7.558 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.196 -6.828 -8.598 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.570 -6.208 -5.656 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.007 -5.163 -6.993 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.026 -4.470 -4.532 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.741 -4.162 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.479 -3.138 -5.621 1.00 0.00 H new ATOM 882 N ARG A 56 5.806 -10.265 -8.469 1.00 0.00 N ATOM 883 CA ARG A 56 5.523 -11.211 -9.536 1.00 0.00 C ATOM 884 C ARG A 56 4.356 -12.120 -9.146 1.00 0.00 C ATOM 885 O ARG A 56 3.740 -12.767 -9.991 1.00 0.00 O ATOM 886 CB ARG A 56 6.762 -12.056 -9.882 1.00 0.00 C ATOM 887 CG ARG A 56 7.381 -12.786 -8.700 1.00 0.00 C ATOM 888 CD ARG A 56 8.546 -12.015 -8.100 1.00 0.00 C ATOM 889 NE ARG A 56 9.708 -12.008 -8.981 1.00 0.00 N ATOM 890 CZ ARG A 56 10.835 -12.689 -8.751 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.944 -13.468 -7.677 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.846 -12.601 -9.606 1.00 0.00 N ATOM 0 H ARG A 56 6.549 -10.555 -7.832 1.00 0.00 H new ATOM 0 HA ARG A 56 5.248 -10.640 -10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.486 -12.789 -10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.516 -11.406 -10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.621 -12.947 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.724 -13.770 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.237 -10.989 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.820 -12.458 -7.143 1.00 0.00 H new ATOM 0 HE ARG A 56 9.657 -11.445 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.165 -13.548 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.807 -13.985 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.762 -12.015 -10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.707 -13.120 -9.433 1.00 0.00 H new ATOM 906 N GLN A 57 4.058 -12.158 -7.851 1.00 0.00 N ATOM 907 CA GLN A 57 2.995 -13.005 -7.315 1.00 0.00 C ATOM 908 C GLN A 57 1.685 -12.267 -7.215 1.00 0.00 C ATOM 909 O GLN A 57 0.624 -12.865 -7.299 1.00 0.00 O ATOM 910 CB GLN A 57 3.383 -13.532 -5.943 1.00 0.00 C ATOM 911 CG GLN A 57 3.823 -14.981 -5.936 1.00 0.00 C ATOM 912 CD GLN A 57 4.729 -15.326 -7.094 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.278 -15.820 -8.123 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.988 -15.012 -6.957 1.00 0.00 N ATOM 0 H GLN A 57 4.544 -11.605 -7.145 1.00 0.00 H new ATOM 0 HA GLN A 57 2.864 -13.836 -8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.190 -12.917 -5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.534 -13.419 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.340 -15.194 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.943 -15.623 -5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.319 -14.603 -6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.641 -15.175 -7.724 1.00 0.00 H new ATOM 923 N ILE A 58 1.743 -10.978 -7.005 1.00 0.00 N ATOM 924 CA ILE A 58 0.518 -10.191 -6.871 1.00 0.00 C ATOM 925 C ILE A 58 0.519 -8.984 -7.789 1.00 0.00 C ATOM 926 O ILE A 58 1.481 -8.725 -8.501 1.00 0.00 O ATOM 927 CB ILE A 58 0.295 -9.701 -5.417 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.289 -8.581 -5.065 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.411 -10.859 -4.442 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.182 -8.079 -3.638 1.00 0.00 C ATOM 0 H ILE A 58 2.608 -10.444 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.294 -10.862 -7.152 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.713 -9.293 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.303 -8.944 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.131 -7.744 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.252 -10.497 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.340 -11.612 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.405 -11.301 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.917 -7.291 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.181 -7.683 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.371 -8.901 -2.948 1.00 0.00 H new ATOM 942 N ARG A 59 -0.571 -8.241 -7.750 1.00 0.00 N ATOM 943 CA ARG A 59 -0.727 -7.025 -8.529 1.00 0.00 C ATOM 944 C ARG A 59 -1.754 -6.117 -7.889 1.00 0.00 C ATOM 945 O ARG A 59 -2.754 -6.582 -7.339 1.00 0.00 O ATOM 946 CB ARG A 59 -1.113 -7.323 -9.985 1.00 0.00 C ATOM 947 CG ARG A 59 0.072 -7.422 -10.940 1.00 0.00 C ATOM 948 CD ARG A 59 0.838 -6.106 -11.004 1.00 0.00 C ATOM 949 NE ARG A 59 1.913 -6.134 -12.000 1.00 0.00 N ATOM 950 CZ ARG A 59 2.657 -5.072 -12.345 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.419 -3.877 -11.804 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.630 -5.204 -13.237 1.00 0.00 N ATOM 0 H ARG A 59 -1.381 -8.466 -7.172 1.00 0.00 H new ATOM 0 HA ARG A 59 0.238 -6.519 -8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.670 -8.260 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.785 -6.541 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.740 -8.219 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.281 -7.689 -11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.147 -5.297 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.260 -5.886 -10.023 1.00 0.00 H new ATOM 0 HE ARG A 59 2.109 -7.022 -12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.668 -3.766 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.988 -3.074 -12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.813 -6.113 -13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.195 -4.396 -13.499 1.00 0.00 H new ATOM 966 N PHE A 60 -1.497 -4.823 -7.943 1.00 0.00 N ATOM 967 CA PHE A 60 -2.387 -3.828 -7.374 1.00 0.00 C ATOM 968 C PHE A 60 -3.277 -3.263 -8.470 1.00 0.00 C ATOM 969 O PHE A 60 -2.866 -3.165 -9.630 1.00 0.00 O ATOM 970 CB PHE A 60 -1.581 -2.698 -6.711 1.00 0.00 C ATOM 971 CG PHE A 60 -0.673 -3.162 -5.597 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.433 -3.947 -5.875 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.924 -2.814 -4.274 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.266 -4.376 -4.869 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.087 -3.245 -3.266 1.00 0.00 C ATOM 976 CZ PHE A 60 1.007 -4.025 -3.567 1.00 0.00 C ATOM 0 H PHE A 60 -0.664 -4.432 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.006 -4.299 -6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.980 -2.200 -7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.274 -1.955 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.644 -4.226 -6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.781 -2.202 -4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.124 -4.989 -5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.290 -2.971 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.663 -4.361 -2.777 1.00 0.00 H new ATOM 986 N ARG A 61 -4.481 -2.888 -8.117 1.00 0.00 N ATOM 987 CA ARG A 61 -5.440 -2.398 -9.084 1.00 0.00 C ATOM 988 C ARG A 61 -6.356 -1.351 -8.465 1.00 0.00 C ATOM 989 O ARG A 61 -6.850 -1.514 -7.347 1.00 0.00 O ATOM 990 CB ARG A 61 -6.225 -3.591 -9.643 1.00 0.00 C ATOM 991 CG ARG A 61 -7.452 -3.263 -10.478 1.00 0.00 C ATOM 992 CD ARG A 61 -8.714 -3.507 -9.678 1.00 0.00 C ATOM 993 NE ARG A 61 -9.882 -3.726 -10.531 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.997 -4.353 -10.130 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.044 -4.943 -8.936 1.00 0.00 N ATOM 996 NH2 ARG A 61 -12.048 -4.426 -10.936 1.00 0.00 N ATOM 0 H ARG A 61 -4.826 -2.912 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.919 -1.903 -9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.548 -4.190 -10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.538 -4.216 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.413 -2.222 -10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.461 -3.876 -11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.570 -4.374 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.899 -2.653 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.846 -3.380 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.229 -4.919 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.895 -5.419 -8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.009 -4.004 -11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.895 -4.904 -10.628 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.563 -0.266 -9.188 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.412 0.819 -8.738 1.00 0.00 C ATOM 1012 C PHE A 62 -8.200 1.361 -9.910 1.00 0.00 C ATOM 1013 O PHE A 62 -7.723 1.362 -11.030 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.585 1.935 -8.093 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.420 3.041 -7.507 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.922 2.933 -6.225 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.703 4.182 -8.241 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.689 3.941 -5.683 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.472 5.192 -7.705 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.966 5.072 -6.423 1.00 0.00 C ATOM 0 H PHE A 62 -6.146 -0.113 -10.106 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.099 0.435 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.962 1.507 -7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.912 2.356 -8.840 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.711 2.049 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.316 4.281 -9.245 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.074 3.846 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.687 6.076 -8.288 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.568 5.862 -5.999 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.409 1.830 -9.637 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.335 2.333 -10.678 1.00 0.00 C ATOM 1032 C ASP A 63 -10.569 1.271 -11.731 1.00 0.00 C ATOM 1033 O ASP A 63 -10.934 1.557 -12.872 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.748 3.574 -11.345 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.795 4.413 -12.051 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.822 4.734 -11.423 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.598 4.748 -13.241 1.00 0.00 O ATOM 0 H ASP A 63 -9.789 1.879 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.282 2.586 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.248 4.183 -10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.988 3.269 -12.064 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.364 0.038 -11.348 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.531 -1.048 -12.252 1.00 0.00 C ATOM 1044 C GLY A 64 -9.268 -1.350 -13.044 1.00 0.00 C ATOM 1045 O GLY A 64 -9.079 -2.461 -13.525 1.00 0.00 O ATOM 0 H GLY A 64 -10.079 -0.231 -10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.827 -1.937 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.343 -0.819 -12.943 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.383 -0.371 -13.145 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.158 -0.515 -13.919 1.00 0.00 C ATOM 1051 C GLN A 65 -5.977 -0.936 -13.031 1.00 0.00 C ATOM 1052 O GLN A 65 -5.926 -0.597 -11.848 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.847 0.797 -14.663 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.800 2.020 -13.766 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.604 3.308 -14.536 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.968 4.273 -13.910 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -7.026 3.432 -15.684 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.491 0.539 -12.697 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.309 -1.307 -14.652 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.888 0.695 -15.172 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.602 0.953 -15.434 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.726 2.081 -13.195 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.989 1.906 -13.047 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.515 2.658 -16.134 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.887 4.309 -16.186 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.022 -1.692 -13.592 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.846 -2.165 -12.852 1.00 0.00 C ATOM 1068 C PRO A 66 -2.869 -1.030 -12.535 1.00 0.00 C ATOM 1069 O PRO A 66 -2.676 -0.110 -13.336 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.206 -3.171 -13.809 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.633 -2.723 -15.163 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.009 -2.146 -14.996 1.00 0.00 C ATOM 0 HA PRO A 66 -4.114 -2.590 -11.885 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.120 -3.172 -13.716 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.545 -4.186 -13.602 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.944 -1.979 -15.562 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.643 -3.557 -15.864 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.185 -1.321 -15.687 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.782 -2.891 -15.185 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.263 -1.088 -11.366 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.324 -0.066 -10.940 1.00 0.00 C ATOM 1082 C ILE A 67 0.114 -0.520 -11.172 1.00 0.00 C ATOM 1083 O ILE A 67 0.429 -1.712 -11.074 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.496 0.266 -9.443 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -2.977 0.414 -9.075 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.744 1.535 -9.098 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.205 0.674 -7.601 1.00 0.00 C ATOM 0 H ILE A 67 -2.405 -1.837 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.533 0.824 -11.534 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.084 -0.561 -8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.407 1.232 -9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.508 -0.493 -9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.873 1.758 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.316 1.400 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.133 2.361 -9.693 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.274 0.768 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.804 -0.156 -7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.702 1.597 -7.312 1.00 0.00 H new ATOM 1099 N ASN A 68 0.987 0.430 -11.478 1.00 0.00 N ATOM 1100 CA ASN A 68 2.397 0.147 -11.691 1.00 0.00 C ATOM 1101 C ASN A 68 3.211 1.079 -10.830 1.00 0.00 C ATOM 1102 O ASN A 68 2.673 2.002 -10.221 1.00 0.00 O ATOM 1103 CB ASN A 68 2.804 0.376 -13.151 1.00 0.00 C ATOM 1104 CG ASN A 68 1.711 0.086 -14.141 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.564 -1.038 -14.621 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.949 1.101 -14.463 1.00 0.00 N ATOM 0 H ASN A 68 0.738 1.413 -11.585 1.00 0.00 H new ATOM 0 HA ASN A 68 2.575 -0.898 -11.436 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.124 1.411 -13.271 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.665 -0.252 -13.381 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.195 0.978 -15.139 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.110 2.014 -14.038 1.00 0.00 H new ATOM 1113 N GLU A 69 4.513 0.867 -10.788 1.00 0.00 N ATOM 1114 CA GLU A 69 5.392 1.738 -10.026 1.00 0.00 C ATOM 1115 C GLU A 69 5.599 3.072 -10.745 1.00 0.00 C ATOM 1116 O GLU A 69 6.200 4.001 -10.206 1.00 0.00 O ATOM 1117 CB GLU A 69 6.741 1.060 -9.748 1.00 0.00 C ATOM 1118 CG GLU A 69 7.494 0.620 -10.992 1.00 0.00 C ATOM 1119 CD GLU A 69 8.883 0.103 -10.671 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.997 -0.887 -9.923 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.865 0.682 -11.170 1.00 0.00 O ATOM 0 H GLU A 69 4.985 0.102 -11.270 1.00 0.00 H new ATOM 0 HA GLU A 69 4.910 1.937 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.369 1.748 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.572 0.189 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.927 -0.160 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.572 1.459 -11.683 1.00 0.00 H new ATOM 1128 N THR A 70 5.111 3.155 -11.967 1.00 0.00 N ATOM 1129 CA THR A 70 5.215 4.365 -12.752 1.00 0.00 C ATOM 1130 C THR A 70 3.971 5.236 -12.589 1.00 0.00 C ATOM 1131 O THR A 70 3.902 6.360 -13.102 1.00 0.00 O ATOM 1132 CB THR A 70 5.424 4.022 -14.233 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.431 3.072 -14.650 1.00 0.00 O ATOM 1134 CG2 THR A 70 6.808 3.433 -14.449 1.00 0.00 C ATOM 0 H THR A 70 4.634 2.388 -12.440 1.00 0.00 H new ATOM 0 HA THR A 70 6.076 4.927 -12.390 1.00 0.00 H new ATOM 0 HB THR A 70 5.332 4.935 -14.822 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.564 2.854 -15.596 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.941 3.195 -15.504 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.563 4.156 -14.142 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.913 2.525 -13.856 1.00 0.00 H new ATOM 1142 N ASP A 71 2.996 4.727 -11.856 1.00 0.00 N ATOM 1143 CA ASP A 71 1.767 5.458 -11.620 1.00 0.00 C ATOM 1144 C ASP A 71 1.808 6.236 -10.311 1.00 0.00 C ATOM 1145 O ASP A 71 2.406 5.804 -9.324 1.00 0.00 O ATOM 1146 CB ASP A 71 0.570 4.526 -11.640 1.00 0.00 C ATOM 1147 CG ASP A 71 0.017 4.352 -13.026 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.570 3.553 -13.786 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.972 5.031 -13.368 1.00 0.00 O ATOM 0 H ASP A 71 3.033 3.808 -11.414 1.00 0.00 H new ATOM 0 HA ASP A 71 1.665 6.179 -12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.860 3.554 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.208 4.920 -10.986 1.00 0.00 H new ATOM 1154 N THR A 72 1.189 7.402 -10.314 1.00 0.00 N ATOM 1155 CA THR A 72 1.084 8.236 -9.131 1.00 0.00 C ATOM 1156 C THR A 72 -0.390 8.404 -8.747 1.00 0.00 C ATOM 1157 O THR A 72 -1.256 8.412 -9.620 1.00 0.00 O ATOM 1158 CB THR A 72 1.733 9.614 -9.365 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.951 9.816 -10.769 1.00 0.00 O ATOM 1160 CG2 THR A 72 3.053 9.725 -8.625 1.00 0.00 C ATOM 0 H THR A 72 0.743 7.799 -11.141 1.00 0.00 H new ATOM 0 HA THR A 72 1.617 7.747 -8.315 1.00 0.00 H new ATOM 0 HB THR A 72 1.057 10.379 -8.984 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.466 10.615 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.490 10.707 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.883 9.596 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.735 8.952 -8.980 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.689 8.566 -7.441 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.072 8.631 -6.938 1.00 0.00 C ATOM 1170 C PRO A 73 -2.885 9.779 -7.538 1.00 0.00 C ATOM 1171 O PRO A 73 -4.105 9.670 -7.724 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.903 8.835 -5.424 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.510 9.321 -5.246 1.00 0.00 C ATOM 1174 CD PRO A 73 0.291 8.722 -6.360 1.00 0.00 C ATOM 0 HA PRO A 73 -2.626 7.732 -7.207 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.624 9.558 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.067 7.904 -4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.471 10.410 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.114 9.019 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.115 9.371 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.727 7.765 -6.072 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.219 10.869 -7.861 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.892 12.034 -8.402 1.00 0.00 C ATOM 1184 C ALA A 74 -3.422 11.783 -9.811 1.00 0.00 C ATOM 1185 O ALA A 74 -4.365 12.442 -10.258 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.965 13.232 -8.375 1.00 0.00 C ATOM 0 H ALA A 74 -1.210 10.973 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.756 12.244 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.481 14.101 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.666 13.438 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.080 13.021 -8.975 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.834 10.817 -10.507 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.252 10.478 -11.865 1.00 0.00 C ATOM 1194 C GLN A 75 -4.616 9.820 -11.868 1.00 0.00 C ATOM 1195 O GLN A 75 -5.438 10.064 -12.752 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.232 9.556 -12.535 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.183 10.279 -13.367 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.391 11.307 -12.581 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.186 11.167 -11.380 1.00 0.00 O ATOM 1200 NE2 GLN A 75 0.065 12.339 -13.256 1.00 0.00 N ATOM 0 H GLN A 75 -2.063 10.251 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.312 11.408 -12.430 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.728 8.971 -11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.763 8.851 -13.175 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.495 9.545 -13.787 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.673 10.773 -14.206 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.127 12.420 -14.255 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.610 13.058 -12.781 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.877 8.995 -10.867 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.138 8.295 -10.789 1.00 0.00 C ATOM 1211 C LEU A 76 -7.163 9.168 -10.089 1.00 0.00 C ATOM 1212 O LEU A 76 -8.340 8.815 -9.995 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.970 6.966 -10.046 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.703 6.173 -10.394 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.618 6.434 -9.365 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.002 4.688 -10.491 1.00 0.00 C ATOM 0 H LEU A 76 -4.232 8.798 -10.102 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.486 8.077 -11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.970 7.166 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.838 6.341 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.346 6.509 -11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.725 5.865 -9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.379 7.497 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.970 6.127 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.088 4.148 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.387 4.331 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.746 4.517 -11.269 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.695 10.327 -9.596 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.540 11.301 -8.907 1.00 0.00 C ATOM 1230 C GLU A 77 -8.252 10.651 -7.730 1.00 0.00 C ATOM 1231 O GLU A 77 -9.443 10.862 -7.504 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.546 11.909 -9.883 1.00 0.00 C ATOM 1233 CG GLU A 77 -7.894 12.585 -11.082 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.902 13.143 -12.050 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.316 12.410 -12.969 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.291 14.318 -11.892 1.00 0.00 O ATOM 0 H GLU A 77 -5.718 10.610 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.909 12.101 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.216 11.126 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.159 12.638 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.247 13.390 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.259 11.866 -11.599 1.00 0.00 H new ATOM 1243 N MET A 78 -7.504 9.872 -6.977 1.00 0.00 N ATOM 1244 CA MET A 78 -8.039 9.145 -5.843 1.00 0.00 C ATOM 1245 C MET A 78 -8.032 10.015 -4.579 1.00 0.00 C ATOM 1246 O MET A 78 -7.318 11.024 -4.508 1.00 0.00 O ATOM 1247 CB MET A 78 -7.224 7.867 -5.636 1.00 0.00 C ATOM 1248 CG MET A 78 -5.792 8.111 -5.203 1.00 0.00 C ATOM 1249 SD MET A 78 -4.642 6.885 -5.867 1.00 0.00 S ATOM 1250 CE MET A 78 -5.376 5.365 -5.298 1.00 0.00 C ATOM 0 H MET A 78 -6.507 9.724 -7.133 1.00 0.00 H new ATOM 0 HA MET A 78 -9.076 8.878 -6.045 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.719 7.250 -4.886 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.219 7.297 -6.565 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.483 9.105 -5.527 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.739 8.100 -4.114 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.616 4.754 -4.812 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.171 5.589 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.791 4.821 -6.147 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.823 9.631 -3.585 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.932 10.398 -2.352 1.00 0.00 C ATOM 1262 C GLU A 79 -8.331 9.619 -1.196 1.00 0.00 C ATOM 1263 O GLU A 79 -8.071 8.417 -1.313 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.401 10.699 -2.050 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.195 9.470 -1.639 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.679 9.735 -1.534 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.371 9.716 -2.579 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.167 9.947 -0.411 1.00 0.00 O ATOM 0 H GLU A 79 -9.400 8.790 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.388 11.334 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.456 11.441 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.862 11.143 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.024 8.674 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.827 9.111 -0.678 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.077 10.294 -0.085 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.572 9.632 1.102 1.00 0.00 C ATOM 1277 C ASP A 80 -8.552 8.602 1.645 1.00 0.00 C ATOM 1278 O ASP A 80 -9.773 8.766 1.568 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.206 10.651 2.196 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.342 11.584 2.551 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -8.579 12.545 1.789 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -8.988 11.377 3.596 1.00 0.00 O ATOM 0 H ASP A 80 -8.213 11.300 0.017 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.667 9.102 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.893 10.115 3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.352 11.241 1.862 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.980 7.530 2.169 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.693 6.411 2.762 1.00 0.00 C ATOM 1289 C GLU A 81 -9.358 5.535 1.712 1.00 0.00 C ATOM 1290 O GLU A 81 -10.238 4.735 2.022 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.688 6.872 3.835 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.009 7.529 5.029 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.961 7.845 6.157 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.184 6.965 7.023 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.476 8.978 6.204 1.00 0.00 O ATOM 0 H GLU A 81 -6.967 7.411 2.194 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.948 5.792 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.393 7.576 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.267 6.015 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.223 6.870 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.525 8.450 4.702 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.921 5.659 0.458 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.457 4.805 -0.596 1.00 0.00 C ATOM 1304 C ASP A 82 -8.811 3.414 -0.515 1.00 0.00 C ATOM 1305 O ASP A 82 -7.784 3.236 0.147 1.00 0.00 O ATOM 1306 CB ASP A 82 -9.256 5.412 -1.983 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.384 5.025 -2.929 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.615 3.813 -3.133 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.062 5.931 -3.456 1.00 0.00 O ATOM 0 H ASP A 82 -8.213 6.328 0.154 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.532 4.715 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.204 6.498 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.304 5.077 -2.394 1.00 0.00 H new ATOM 1314 N THR A 83 -9.396 2.428 -1.179 1.00 0.00 N ATOM 1315 CA THR A 83 -8.906 1.059 -1.088 1.00 0.00 C ATOM 1316 C THR A 83 -8.341 0.536 -2.421 1.00 0.00 C ATOM 1317 O THR A 83 -8.897 0.769 -3.492 1.00 0.00 O ATOM 1318 CB THR A 83 -10.023 0.122 -0.594 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.624 0.683 0.584 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.471 -1.260 -0.259 1.00 0.00 C ATOM 0 H THR A 83 -10.208 2.549 -1.785 1.00 0.00 H new ATOM 0 HA THR A 83 -8.085 1.069 -0.371 1.00 0.00 H new ATOM 0 HB THR A 83 -10.762 0.019 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.337 0.090 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.281 -1.901 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.018 -1.696 -1.149 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.719 -1.171 0.525 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.219 -0.168 -2.328 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.549 -0.768 -3.470 1.00 0.00 C ATOM 1330 C ILE A 84 -6.906 -2.251 -3.561 1.00 0.00 C ATOM 1331 O ILE A 84 -6.969 -2.941 -2.544 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.009 -0.653 -3.318 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.594 0.802 -3.045 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.308 -1.190 -4.560 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.757 1.724 -4.218 1.00 0.00 C ATOM 0 H ILE A 84 -6.744 -0.339 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.873 -0.241 -4.367 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.704 -1.257 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.184 1.185 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.551 0.816 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.229 -1.101 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.572 -2.238 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.621 -0.615 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.441 2.729 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.145 1.370 -5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.803 1.744 -4.522 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.135 -2.741 -4.766 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.464 -4.150 -4.975 1.00 0.00 C ATOM 1349 C ASP A 85 -6.231 -4.935 -5.393 1.00 0.00 C ATOM 1350 O ASP A 85 -5.638 -4.671 -6.430 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.546 -4.289 -6.047 1.00 0.00 C ATOM 1352 CG ASP A 85 -8.938 -5.728 -6.323 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.256 -6.466 -5.362 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.950 -6.120 -7.509 1.00 0.00 O ATOM 0 H ASP A 85 -7.100 -2.186 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.836 -4.553 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.430 -3.733 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.192 -3.833 -6.971 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.829 -5.878 -4.577 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.694 -6.725 -4.890 1.00 0.00 C ATOM 1361 C VAL A 86 -5.157 -8.135 -5.159 1.00 0.00 C ATOM 1362 O VAL A 86 -5.997 -8.681 -4.437 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.645 -6.729 -3.756 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.546 -7.748 -4.021 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.045 -5.362 -3.619 1.00 0.00 C ATOM 0 H VAL A 86 -6.273 -6.083 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.219 -6.316 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.148 -7.007 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.824 -7.725 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.983 -8.744 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.043 -7.505 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.305 -5.368 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.564 -5.080 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.829 -4.642 -3.383 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.591 -8.742 -6.169 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.953 -10.081 -6.554 1.00 0.00 C ATOM 1377 C PHE A 87 -3.706 -10.883 -6.860 1.00 0.00 C ATOM 1378 O PHE A 87 -2.646 -10.312 -7.163 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.919 -10.066 -7.741 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.556 -9.090 -8.821 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.036 -7.789 -8.787 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.745 -9.471 -9.872 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.710 -6.898 -9.778 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.417 -8.576 -10.869 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.900 -7.289 -10.822 1.00 0.00 C ATOM 0 H PHE A 87 -3.865 -8.321 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.472 -10.560 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.963 -11.066 -8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.919 -9.832 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.672 -7.475 -7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.364 -10.481 -9.914 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.089 -5.887 -9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.782 -8.885 -11.686 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.645 -6.586 -11.602 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.805 -12.198 -6.763 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.659 -13.064 -6.979 1.00 0.00 C ATOM 1397 C GLN A 88 -2.479 -13.396 -8.467 1.00 0.00 C ATOM 1398 O GLN A 88 -3.332 -14.027 -9.092 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.807 -14.357 -6.164 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.520 -15.164 -6.053 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.804 -14.993 -4.714 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.996 -13.859 -4.059 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 -0.096 -15.889 -4.265 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.669 -12.690 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.770 -12.529 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.155 -14.106 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.576 -14.978 -6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.749 -16.219 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.845 -14.869 -6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.032 -16.751 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.364 -15.771 -3.362 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.368 -12.953 -9.023 1.00 0.00 N ATOM 1413 CA GLN A 89 -1.010 -13.212 -10.417 1.00 0.00 C ATOM 1414 C GLN A 89 0.009 -14.341 -10.508 1.00 0.00 C ATOM 1415 O GLN A 89 0.706 -14.493 -11.513 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.437 -11.948 -11.057 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.465 -10.863 -11.318 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.436 -11.224 -12.430 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.747 -12.396 -12.656 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.904 -10.226 -13.141 1.00 0.00 N ATOM 0 H GLN A 89 -0.677 -12.397 -8.520 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.912 -13.509 -10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.342 -11.547 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.040 -12.216 -12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.024 -10.671 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.951 -9.937 -11.577 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.624 -9.270 -12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.548 -10.406 -13.911 1.00 0.00 H new