USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 18 CYS SG : rot 140:sc= -0.519 USER MOD Set 1.2: A 21 CYS SG : rot -56:sc= -0.167 USER MOD Set 1.3: A 29 CYS SG : rot -126:sc= -0.108 USER MOD Set 1.4: A 32 CYS SG : rot 153:sc= 0.125 USER MOD Set 1.5: A 41 CYS SG : rot -60:sc= 1.05 USER MOD Set 1.6: A 53 HIS : +bothHN:sc= -0.79! C(o=-1.2!,f=-8.9!) USER MOD Set 1.7: A 55 CYS SG : rot -115:sc= 0.493 USER MOD Set 1.8: A 56 CYS SG : rot 44:sc= -1.28 USER MOD Set 2.1: A 48 CYS SG : rot 115:sc= -0.718 USER MOD Set 2.2: A 50 HIS : no HD1:sc= -0.538 K(o=-4.2,f=-5.7) USER MOD Set 2.3: A 67 CYS SG : rot 74:sc= -1.05 USER MOD Set 2.4: A 70 CYS SG : rot -45:sc= -1.94 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.209 K(o=0.21,f=-0.57) USER MOD Single : A 36 ASN :FLIP amide:sc= 0.653 F(o=-0.069,f=0.65) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.45) USER MOD Single : A 49 ASN : amide:sc=-0.00366 X(o=-0.0037,f=0) USER MOD Single : A 51 SER OG : rot -143:sc= -2.61! USER MOD Single : A 54 ASN :FLIP amide:sc= -0.387 F(o=-3.3!,f=-0.39) USER MOD Single : A 57 MET CE :methyl -159:sc=-0.00181 (180deg=-1.16) USER MOD Single : A 58 SER OG : rot -66:sc= 1.05 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0533 K(o=-0.053,f=-1.7!) USER MOD Single : A 64 ASN : amide:sc= -4.94! C(o=-4.9!,f=-14!) USER MOD Single : A 65 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.48) USER MOD Single : A 71 GLN : amide:sc= -6.27! C(o=-6.3!,f=-7.6!) USER MOD Single : A 72 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.9!) USER MOD Single : A 77 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.19) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.683 -6.699 -0.044 1.00 0.00 N ATOM 209 CA THR A 17 7.472 -6.093 0.495 1.00 0.00 C ATOM 210 C THR A 17 7.689 -4.617 0.810 1.00 0.00 C ATOM 211 O THR A 17 8.584 -4.261 1.577 1.00 0.00 O ATOM 212 CB THR A 17 7.004 -6.816 1.772 1.00 0.00 C ATOM 213 OG1 THR A 17 6.494 -8.113 1.443 1.00 0.00 O ATOM 214 CG2 THR A 17 5.929 -6.010 2.487 1.00 0.00 C ATOM 0 HA THR A 17 6.702 -6.188 -0.271 1.00 0.00 H new ATOM 0 HB THR A 17 7.861 -6.921 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.200 -8.566 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.614 -6.540 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.329 -5.034 2.763 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.073 -5.877 1.825 1.00 0.00 H new ATOM 222 N CYS A 18 6.864 -3.763 0.215 1.00 0.00 N ATOM 223 CA CYS A 18 6.965 -2.325 0.432 1.00 0.00 C ATOM 224 C CYS A 18 7.169 -2.011 1.911 1.00 0.00 C ATOM 225 O CYS A 18 6.255 -2.160 2.721 1.00 0.00 O ATOM 226 CB CYS A 18 5.706 -1.621 -0.080 1.00 0.00 C ATOM 227 SG CYS A 18 5.756 0.194 0.069 1.00 0.00 S ATOM 0 H CYS A 18 6.117 -4.042 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 18 7.829 -1.959 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.555 -1.885 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.843 -1.996 0.471 1.00 0.00 H new ATOM 0 HG CYS A 18 5.232 0.731 -0.993 1.00 0.00 H new ATOM 232 N ALA A 19 8.377 -1.575 2.256 1.00 0.00 N ATOM 233 CA ALA A 19 8.702 -1.238 3.637 1.00 0.00 C ATOM 234 C ALA A 19 8.008 0.051 4.065 1.00 0.00 C ATOM 235 O ALA A 19 7.762 0.270 5.252 1.00 0.00 O ATOM 236 CB ALA A 19 10.208 -1.111 3.808 1.00 0.00 C ATOM 0 H ALA A 19 9.146 -1.447 1.598 1.00 0.00 H new ATOM 0 HA ALA A 19 8.341 -2.043 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.437 -0.859 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.684 -2.057 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.584 -0.326 3.152 1.00 0.00 H new ATOM 242 N ILE A 20 7.695 0.901 3.092 1.00 0.00 N ATOM 243 CA ILE A 20 7.030 2.167 3.370 1.00 0.00 C ATOM 244 C ILE A 20 5.720 1.947 4.119 1.00 0.00 C ATOM 245 O ILE A 20 5.448 2.606 5.123 1.00 0.00 O ATOM 246 CB ILE A 20 6.742 2.948 2.074 1.00 0.00 C ATOM 247 CG1 ILE A 20 8.038 3.182 1.295 1.00 0.00 C ATOM 248 CG2 ILE A 20 6.062 4.271 2.392 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.814 3.554 -0.154 1.00 0.00 C ATOM 0 H ILE A 20 7.892 0.735 2.105 1.00 0.00 H new ATOM 0 HA ILE A 20 7.709 2.750 3.993 1.00 0.00 H new ATOM 0 HB ILE A 20 6.069 2.357 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.606 3.975 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.647 2.279 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.865 4.811 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.121 4.082 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.712 4.870 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.776 3.705 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.273 2.752 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.232 4.474 -0.208 1.00 0.00 H new ATOM 261 N CYS A 21 4.911 1.016 3.624 1.00 0.00 N ATOM 262 CA CYS A 21 3.629 0.706 4.246 1.00 0.00 C ATOM 263 C CYS A 21 3.610 -0.727 4.769 1.00 0.00 C ATOM 264 O CYS A 21 2.672 -1.137 5.452 1.00 0.00 O ATOM 265 CB CYS A 21 2.490 0.912 3.246 1.00 0.00 C ATOM 266 SG CYS A 21 2.601 -0.146 1.767 1.00 0.00 S ATOM 0 H CYS A 21 5.121 0.463 2.793 1.00 0.00 H new ATOM 0 HA CYS A 21 3.489 1.383 5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.541 0.720 3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.479 1.956 2.933 1.00 0.00 H new ATOM 0 HG CYS A 21 3.750 0.038 1.187 1.00 0.00 H new ATOM 271 N ARG A 22 4.653 -1.484 4.442 1.00 0.00 N ATOM 272 CA ARG A 22 4.756 -2.872 4.877 1.00 0.00 C ATOM 273 C ARG A 22 3.652 -3.720 4.253 1.00 0.00 C ATOM 274 O ARG A 22 3.091 -4.604 4.902 1.00 0.00 O ATOM 275 CB ARG A 22 4.679 -2.957 6.403 1.00 0.00 C ATOM 276 CG ARG A 22 5.723 -2.112 7.114 1.00 0.00 C ATOM 277 CD ARG A 22 7.113 -2.713 6.977 1.00 0.00 C ATOM 278 NE ARG A 22 8.080 -2.064 7.859 1.00 0.00 N ATOM 279 CZ ARG A 22 8.237 -2.384 9.139 1.00 0.00 C ATOM 280 NH1 ARG A 22 7.495 -3.339 9.682 1.00 0.00 N ATOM 281 NH2 ARG A 22 9.137 -1.748 9.877 1.00 0.00 N ATOM 0 H ARG A 22 5.438 -1.159 3.878 1.00 0.00 H new ATOM 0 HA ARG A 22 5.719 -3.260 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.687 -2.641 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.797 -3.997 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.719 -1.103 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.465 -2.025 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.072 -3.778 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.447 -2.622 5.943 1.00 0.00 H new ATOM 0 HE ARG A 22 8.666 -1.325 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.802 -3.830 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.617 -3.583 10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.709 -1.013 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.257 -1.994 10.860 1.00 0.00 H new ATOM 295 N VAL A 23 3.344 -3.446 2.990 1.00 0.00 N ATOM 296 CA VAL A 23 2.308 -4.184 2.278 1.00 0.00 C ATOM 297 C VAL A 23 2.862 -4.824 1.010 1.00 0.00 C ATOM 298 O VAL A 23 3.839 -4.343 0.436 1.00 0.00 O ATOM 299 CB VAL A 23 1.125 -3.271 1.903 1.00 0.00 C ATOM 300 CG1 VAL A 23 0.074 -4.050 1.127 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.522 -2.642 3.151 1.00 0.00 C ATOM 0 H VAL A 23 3.797 -2.718 2.438 1.00 0.00 H new ATOM 0 HA VAL A 23 1.956 -4.965 2.952 1.00 0.00 H new ATOM 0 HB VAL A 23 1.495 -2.470 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.754 -3.389 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.517 -4.448 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.295 -4.873 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.312 -2.000 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.166 -3.427 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.280 -2.048 3.662 1.00 0.00 H new ATOM 311 N GLN A 24 2.231 -5.912 0.578 1.00 0.00 N ATOM 312 CA GLN A 24 2.662 -6.618 -0.622 1.00 0.00 C ATOM 313 C GLN A 24 2.770 -5.664 -1.806 1.00 0.00 C ATOM 314 O GLN A 24 1.761 -5.220 -2.354 1.00 0.00 O ATOM 315 CB GLN A 24 1.687 -7.750 -0.951 1.00 0.00 C ATOM 316 CG GLN A 24 1.492 -8.736 0.190 1.00 0.00 C ATOM 317 CD GLN A 24 2.518 -9.851 0.179 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.683 -10.550 -0.821 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.216 -10.024 1.296 1.00 0.00 N ATOM 0 H GLN A 24 1.420 -6.323 1.041 1.00 0.00 H new ATOM 0 HA GLN A 24 3.648 -7.041 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.721 -7.321 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.050 -8.288 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.550 -8.203 1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.493 -9.166 0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.047 -9.422 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.921 -10.759 1.348 1.00 0.00 H new ATOM 328 N VAL A 25 4.002 -5.351 -2.198 1.00 0.00 N ATOM 329 CA VAL A 25 4.242 -4.449 -3.318 1.00 0.00 C ATOM 330 C VAL A 25 3.360 -4.806 -4.509 1.00 0.00 C ATOM 331 O VAL A 25 2.885 -3.927 -5.228 1.00 0.00 O ATOM 332 CB VAL A 25 5.718 -4.481 -3.758 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.176 -5.913 -3.987 1.00 0.00 C ATOM 334 CG2 VAL A 25 5.918 -3.641 -5.010 1.00 0.00 C ATOM 0 H VAL A 25 4.849 -5.709 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 25 3.995 -3.444 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 25 6.327 -4.054 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.221 -5.916 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.070 -6.481 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.565 -6.370 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.966 -3.675 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.300 -4.036 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.632 -2.609 -4.806 1.00 0.00 H new ATOM 344 N MET A 26 3.146 -6.101 -4.713 1.00 0.00 N ATOM 345 CA MET A 26 2.319 -6.575 -5.817 1.00 0.00 C ATOM 346 C MET A 26 0.878 -6.101 -5.659 1.00 0.00 C ATOM 347 O MET A 26 0.220 -5.747 -6.638 1.00 0.00 O ATOM 348 CB MET A 26 2.360 -8.102 -5.895 1.00 0.00 C ATOM 349 CG MET A 26 3.746 -8.659 -6.178 1.00 0.00 C ATOM 350 SD MET A 26 3.700 -10.176 -7.151 1.00 0.00 S ATOM 351 CE MET A 26 4.900 -9.797 -8.426 1.00 0.00 C ATOM 0 H MET A 26 3.534 -6.842 -4.128 1.00 0.00 H new ATOM 0 HA MET A 26 2.720 -6.161 -6.742 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.996 -8.516 -4.954 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.677 -8.436 -6.676 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.333 -7.909 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.255 -8.853 -5.234 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.985 -10.642 -9.109 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.577 -8.915 -8.979 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.869 -9.603 -7.967 1.00 0.00 H new ATOM 361 N ASP A 27 0.393 -6.097 -4.422 1.00 0.00 N ATOM 362 CA ASP A 27 -0.970 -5.666 -4.136 1.00 0.00 C ATOM 363 C ASP A 27 -1.001 -4.197 -3.724 1.00 0.00 C ATOM 364 O ASP A 27 0.027 -3.621 -3.369 1.00 0.00 O ATOM 365 CB ASP A 27 -1.581 -6.531 -3.033 1.00 0.00 C ATOM 366 CG ASP A 27 -2.045 -7.881 -3.545 1.00 0.00 C ATOM 367 OD1 ASP A 27 -1.478 -8.361 -4.549 1.00 0.00 O ATOM 368 OD2 ASP A 27 -2.973 -8.457 -2.941 1.00 0.00 O ATOM 0 H ASP A 27 0.924 -6.388 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.559 -5.782 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.846 -6.679 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.426 -6.005 -2.588 1.00 0.00 H new ATOM 373 N ALA A 28 -2.186 -3.598 -3.774 1.00 0.00 N ATOM 374 CA ALA A 28 -2.350 -2.198 -3.405 1.00 0.00 C ATOM 375 C ALA A 28 -2.143 -1.997 -1.908 1.00 0.00 C ATOM 376 O ALA A 28 -2.419 -2.891 -1.107 1.00 0.00 O ATOM 377 CB ALA A 28 -3.727 -1.701 -3.821 1.00 0.00 C ATOM 0 H ALA A 28 -3.047 -4.061 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.592 -1.618 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.836 -0.654 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.839 -1.800 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.494 -2.293 -3.321 1.00 0.00 H new ATOM 383 N CYS A 29 -1.655 -0.818 -1.536 1.00 0.00 N ATOM 384 CA CYS A 29 -1.410 -0.500 -0.134 1.00 0.00 C ATOM 385 C CYS A 29 -2.724 -0.354 0.628 1.00 0.00 C ATOM 386 O CYS A 29 -3.795 -0.258 0.029 1.00 0.00 O ATOM 387 CB CYS A 29 -0.594 0.790 -0.018 1.00 0.00 C ATOM 388 SG CYS A 29 -1.438 2.265 -0.674 1.00 0.00 S ATOM 0 H CYS A 29 -1.421 -0.067 -2.186 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.844 -1.321 0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.350 0.960 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.350 0.659 -0.547 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.673 2.850 -1.547 1.00 0.00 H new ATOM 393 N LEU A 30 -2.633 -0.337 1.954 1.00 0.00 N ATOM 394 CA LEU A 30 -3.814 -0.203 2.800 1.00 0.00 C ATOM 395 C LEU A 30 -4.504 1.137 2.563 1.00 0.00 C ATOM 396 O LEU A 30 -5.653 1.333 2.958 1.00 0.00 O ATOM 397 CB LEU A 30 -3.427 -0.336 4.274 1.00 0.00 C ATOM 398 CG LEU A 30 -3.451 -1.753 4.848 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.930 -1.759 6.277 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.859 -2.328 4.790 1.00 0.00 C ATOM 0 H LEU A 30 -1.754 -0.414 2.466 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.510 -1.001 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.424 0.070 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.101 0.285 4.864 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.798 -2.381 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.955 -2.776 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.905 -1.389 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.557 -1.117 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.857 -3.337 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.533 -1.699 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.196 -2.360 3.754 1.00 0.00 H new ATOM 412 N ARG A 31 -3.796 2.054 1.913 1.00 0.00 N ATOM 413 CA ARG A 31 -4.341 3.375 1.622 1.00 0.00 C ATOM 414 C ARG A 31 -5.121 3.364 0.311 1.00 0.00 C ATOM 415 O ARG A 31 -6.080 4.118 0.140 1.00 0.00 O ATOM 416 CB ARG A 31 -3.216 4.409 1.549 1.00 0.00 C ATOM 417 CG ARG A 31 -2.378 4.488 2.815 1.00 0.00 C ATOM 418 CD ARG A 31 -3.203 4.965 4.000 1.00 0.00 C ATOM 419 NE ARG A 31 -3.582 6.370 3.873 1.00 0.00 N ATOM 420 CZ ARG A 31 -2.798 7.379 4.235 1.00 0.00 C ATOM 421 NH1 ARG A 31 -1.597 7.140 4.744 1.00 0.00 N ATOM 422 NH2 ARG A 31 -3.213 8.630 4.088 1.00 0.00 N ATOM 0 H ARG A 31 -2.844 1.907 1.578 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.023 3.645 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.566 4.168 0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.648 5.389 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.956 3.507 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.540 5.167 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.101 4.354 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.633 4.825 4.918 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.500 6.588 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.273 6.179 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.997 7.917 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.136 8.819 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.609 9.404 4.367 1.00 0.00 H new ATOM 436 N CYS A 32 -4.705 2.504 -0.613 1.00 0.00 N ATOM 437 CA CYS A 32 -5.363 2.395 -1.909 1.00 0.00 C ATOM 438 C CYS A 32 -6.467 1.342 -1.871 1.00 0.00 C ATOM 439 O CYS A 32 -7.495 1.483 -2.533 1.00 0.00 O ATOM 440 CB CYS A 32 -4.344 2.043 -2.994 1.00 0.00 C ATOM 441 SG CYS A 32 -3.279 3.433 -3.494 1.00 0.00 S ATOM 0 H CYS A 32 -3.914 1.872 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.813 3.360 -2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.715 1.228 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.876 1.673 -3.871 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.145 2.974 -3.934 1.00 0.00 H new ATOM 446 N GLN A 33 -6.246 0.289 -1.092 1.00 0.00 N ATOM 447 CA GLN A 33 -7.221 -0.788 -0.969 1.00 0.00 C ATOM 448 C GLN A 33 -8.495 -0.293 -0.290 1.00 0.00 C ATOM 449 O GLN A 33 -9.595 -0.739 -0.613 1.00 0.00 O ATOM 450 CB GLN A 33 -6.628 -1.954 -0.177 1.00 0.00 C ATOM 451 CG GLN A 33 -5.518 -2.688 -0.914 1.00 0.00 C ATOM 452 CD GLN A 33 -5.272 -4.078 -0.363 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.123 -4.961 -0.471 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.102 -4.281 0.233 1.00 0.00 N ATOM 0 H GLN A 33 -5.401 0.158 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.474 -1.131 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.238 -1.579 0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.422 -2.661 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.775 -2.760 -1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.598 -2.107 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.425 -3.521 0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.880 -5.197 0.623 1.00 0.00 H new ATOM 463 N ALA A 34 -8.337 0.630 0.652 1.00 0.00 N ATOM 464 CA ALA A 34 -9.474 1.187 1.375 1.00 0.00 C ATOM 465 C ALA A 34 -10.133 2.309 0.581 1.00 0.00 C ATOM 466 O ALA A 34 -11.359 2.409 0.531 1.00 0.00 O ATOM 467 CB ALA A 34 -9.035 1.692 2.741 1.00 0.00 C ATOM 0 H ALA A 34 -7.432 1.008 0.933 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.209 0.394 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.894 2.105 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.617 0.866 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.279 2.467 2.617 1.00 0.00 H new ATOM 473 N GLU A 35 -9.312 3.151 -0.038 1.00 0.00 N ATOM 474 CA GLU A 35 -9.818 4.268 -0.829 1.00 0.00 C ATOM 475 C GLU A 35 -10.336 3.786 -2.181 1.00 0.00 C ATOM 476 O GLU A 35 -11.032 4.515 -2.886 1.00 0.00 O ATOM 477 CB GLU A 35 -8.721 5.314 -1.034 1.00 0.00 C ATOM 478 CG GLU A 35 -8.561 6.267 0.138 1.00 0.00 C ATOM 479 CD GLU A 35 -7.996 7.612 -0.276 1.00 0.00 C ATOM 480 OE1 GLU A 35 -8.580 8.248 -1.178 1.00 0.00 O ATOM 481 OE2 GLU A 35 -6.970 8.028 0.302 1.00 0.00 O ATOM 0 H GLU A 35 -8.295 3.082 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.645 4.722 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.773 4.805 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.944 5.890 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.530 6.416 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.905 5.815 0.882 1.00 0.00 H new ATOM 488 N ASN A 36 -9.991 2.553 -2.535 1.00 0.00 N ATOM 489 CA ASN A 36 -10.419 1.973 -3.803 1.00 0.00 C ATOM 490 C ASN A 36 -9.666 2.602 -4.971 1.00 0.00 C ATOM 491 O ASN A 36 -10.246 2.880 -6.021 1.00 0.00 O ATOM 492 CB ASN A 36 -11.926 2.164 -3.991 1.00 0.00 C ATOM 493 CG ASN A 36 -12.529 1.124 -4.915 1.00 0.00 C ATOM 494 OD1 ASN A 36 -13.211 0.143 -4.336 1.00 0.00 O flip ATOM 495 ND2 ASN A 36 -12.384 1.203 -6.135 1.00 0.00 N flip ATOM 0 H ASN A 36 -9.416 1.936 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.194 0.907 -3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.420 2.114 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.116 3.159 -4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.852 1.975 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.796 0.497 -6.744 1.00 0.00 H new ATOM 502 N LYS A 37 -8.369 2.822 -4.782 1.00 0.00 N ATOM 503 CA LYS A 37 -7.534 3.416 -5.819 1.00 0.00 C ATOM 504 C LYS A 37 -6.438 2.449 -6.255 1.00 0.00 C ATOM 505 O LYS A 37 -5.349 2.868 -6.646 1.00 0.00 O ATOM 506 CB LYS A 37 -6.909 4.719 -5.315 1.00 0.00 C ATOM 507 CG LYS A 37 -7.928 5.737 -4.835 1.00 0.00 C ATOM 508 CD LYS A 37 -8.800 6.235 -5.976 1.00 0.00 C ATOM 509 CE LYS A 37 -8.032 7.171 -6.896 1.00 0.00 C ATOM 510 NZ LYS A 37 -8.790 7.467 -8.143 1.00 0.00 N ATOM 0 H LYS A 37 -7.873 2.597 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.166 3.633 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.223 4.491 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.316 5.161 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.556 5.289 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.412 6.580 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.173 5.385 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.670 6.753 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.818 8.102 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.072 6.722 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.233 8.108 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.972 6.581 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.695 7.919 -7.900 1.00 0.00 H new ATOM 524 N GLN A 38 -6.735 1.155 -6.185 1.00 0.00 N ATOM 525 CA GLN A 38 -5.774 0.130 -6.574 1.00 0.00 C ATOM 526 C GLN A 38 -5.347 0.307 -8.027 1.00 0.00 C ATOM 527 O GLN A 38 -4.165 0.206 -8.353 1.00 0.00 O ATOM 528 CB GLN A 38 -6.373 -1.263 -6.371 1.00 0.00 C ATOM 529 CG GLN A 38 -6.961 -1.477 -4.986 1.00 0.00 C ATOM 530 CD GLN A 38 -8.066 -2.515 -4.975 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.117 -3.393 -5.836 1.00 0.00 O ATOM 532 NE2 GLN A 38 -8.958 -2.419 -3.997 1.00 0.00 N ATOM 0 H GLN A 38 -7.632 0.792 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.893 0.235 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.151 -1.427 -7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.600 -2.011 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.170 -1.787 -4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.352 -0.531 -4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.877 -1.675 -3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.724 -3.089 -3.938 1.00 0.00 H new ATOM 541 N GLU A 39 -6.318 0.569 -8.896 1.00 0.00 N ATOM 542 CA GLU A 39 -6.042 0.758 -10.316 1.00 0.00 C ATOM 543 C GLU A 39 -4.789 1.605 -10.518 1.00 0.00 C ATOM 544 O GLU A 39 -4.025 1.388 -11.459 1.00 0.00 O ATOM 545 CB GLU A 39 -7.236 1.421 -11.007 1.00 0.00 C ATOM 546 CG GLU A 39 -7.443 2.871 -10.604 1.00 0.00 C ATOM 547 CD GLU A 39 -8.862 3.348 -10.850 1.00 0.00 C ATOM 548 OE1 GLU A 39 -9.231 3.532 -12.029 1.00 0.00 O ATOM 549 OE2 GLU A 39 -9.603 3.535 -9.863 1.00 0.00 O ATOM 0 H GLU A 39 -7.302 0.655 -8.642 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.873 -0.223 -10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.095 1.369 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.139 0.856 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.202 2.989 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.750 3.502 -11.161 1.00 0.00 H new ATOM 556 N ASP A 40 -4.585 2.571 -9.629 1.00 0.00 N ATOM 557 CA ASP A 40 -3.425 3.451 -9.708 1.00 0.00 C ATOM 558 C ASP A 40 -2.228 2.839 -8.987 1.00 0.00 C ATOM 559 O ASP A 40 -1.092 2.937 -9.453 1.00 0.00 O ATOM 560 CB ASP A 40 -3.753 4.818 -9.107 1.00 0.00 C ATOM 561 CG ASP A 40 -4.494 5.715 -10.079 1.00 0.00 C ATOM 562 OD1 ASP A 40 -5.123 5.182 -11.018 1.00 0.00 O ATOM 563 OD2 ASP A 40 -4.446 6.950 -9.901 1.00 0.00 O ATOM 0 H ASP A 40 -5.208 2.764 -8.845 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.167 3.577 -10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.357 4.682 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.829 5.307 -8.798 1.00 0.00 H new ATOM 568 N CYS A 41 -2.490 2.208 -7.847 1.00 0.00 N ATOM 569 CA CYS A 41 -1.435 1.581 -7.060 1.00 0.00 C ATOM 570 C CYS A 41 -0.728 0.494 -7.865 1.00 0.00 C ATOM 571 O CYS A 41 -1.182 -0.649 -7.919 1.00 0.00 O ATOM 572 CB CYS A 41 -2.015 0.983 -5.776 1.00 0.00 C ATOM 573 SG CYS A 41 -0.855 0.973 -4.371 1.00 0.00 S ATOM 0 H CYS A 41 -3.424 2.117 -7.448 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.706 2.348 -6.800 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.905 1.547 -5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.335 -0.039 -5.976 1.00 0.00 H new ATOM 0 HG CYS A 41 0.194 0.269 -4.679 1.00 0.00 H new ATOM 578 N VAL A 42 0.386 0.860 -8.491 1.00 0.00 N ATOM 579 CA VAL A 42 1.158 -0.083 -9.292 1.00 0.00 C ATOM 580 C VAL A 42 2.505 -0.381 -8.645 1.00 0.00 C ATOM 581 O VAL A 42 2.847 0.186 -7.607 1.00 0.00 O ATOM 582 CB VAL A 42 1.393 0.453 -10.717 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.070 0.635 -11.445 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.170 1.760 -10.673 1.00 0.00 C ATOM 0 H VAL A 42 0.774 1.803 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 42 0.575 -1.002 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 42 1.986 -0.278 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.257 1.014 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.445 -0.324 -11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.551 1.345 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.327 2.124 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.606 2.500 -10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.135 1.594 -10.194 1.00 0.00 H new ATOM 594 N VAL A 43 3.268 -1.276 -9.264 1.00 0.00 N ATOM 595 CA VAL A 43 4.580 -1.650 -8.749 1.00 0.00 C ATOM 596 C VAL A 43 5.685 -0.849 -9.428 1.00 0.00 C ATOM 597 O VAL A 43 5.850 -0.907 -10.647 1.00 0.00 O ATOM 598 CB VAL A 43 4.854 -3.152 -8.948 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.251 -3.509 -8.463 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.803 -3.984 -8.229 1.00 0.00 C ATOM 0 H VAL A 43 3.000 -1.756 -10.123 1.00 0.00 H new ATOM 0 HA VAL A 43 4.576 -1.427 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 43 4.797 -3.376 -10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.427 -4.574 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.989 -2.938 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.340 -3.271 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.012 -5.043 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.827 -3.758 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.817 -3.748 -8.628 1.00 0.00 H new ATOM 610 N VAL A 44 6.442 -0.101 -8.631 1.00 0.00 N ATOM 611 CA VAL A 44 7.534 0.711 -9.155 1.00 0.00 C ATOM 612 C VAL A 44 8.888 0.109 -8.795 1.00 0.00 C ATOM 613 O VAL A 44 9.275 0.080 -7.627 1.00 0.00 O ATOM 614 CB VAL A 44 7.468 2.153 -8.619 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.530 2.162 -7.099 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.588 2.994 -9.212 1.00 0.00 C ATOM 0 H VAL A 44 6.319 -0.041 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 44 7.423 0.728 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 44 6.517 2.591 -8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.482 3.190 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.689 1.597 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.464 1.706 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.526 4.010 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.551 2.560 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.491 3.015 -10.297 1.00 0.00 H new ATOM 626 N TRP A 45 9.603 -0.370 -9.807 1.00 0.00 N ATOM 627 CA TRP A 45 10.915 -0.972 -9.597 1.00 0.00 C ATOM 628 C TRP A 45 12.017 0.079 -9.689 1.00 0.00 C ATOM 629 O TRP A 45 12.087 0.835 -10.657 1.00 0.00 O ATOM 630 CB TRP A 45 11.162 -2.078 -10.624 1.00 0.00 C ATOM 631 CG TRP A 45 10.224 -3.238 -10.484 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.434 -4.379 -9.762 1.00 0.00 C ATOM 633 CD2 TRP A 45 8.930 -3.372 -11.082 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.348 -5.213 -9.876 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.412 -4.618 -10.680 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.158 -2.559 -11.917 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.158 -5.069 -11.085 1.00 0.00 C ATOM 638 CZ3 TRP A 45 6.915 -3.008 -12.319 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.424 -4.253 -11.903 1.00 0.00 C ATOM 0 H TRP A 45 9.297 -0.353 -10.780 1.00 0.00 H new ATOM 0 HA TRP A 45 10.933 -1.404 -8.597 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.066 -1.661 -11.627 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.187 -2.435 -10.524 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.322 -4.594 -9.187 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.254 -6.127 -9.434 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.527 -1.597 -12.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.778 -6.028 -10.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.311 -2.389 -12.965 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.448 -4.575 -12.234 1.00 0.00 H new ATOM 650 N GLY A 46 12.876 0.120 -8.675 1.00 0.00 N ATOM 651 CA GLY A 46 13.963 1.082 -8.662 1.00 0.00 C ATOM 652 C GLY A 46 15.273 0.483 -9.134 1.00 0.00 C ATOM 653 O GLY A 46 15.430 -0.737 -9.162 1.00 0.00 O ATOM 0 H GLY A 46 12.839 -0.496 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.703 1.928 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.088 1.471 -7.651 1.00 0.00 H new ATOM 657 N GLU A 47 16.215 1.343 -9.506 1.00 0.00 N ATOM 658 CA GLU A 47 17.517 0.891 -9.981 1.00 0.00 C ATOM 659 C GLU A 47 18.201 0.011 -8.939 1.00 0.00 C ATOM 660 O GLU A 47 19.058 -0.810 -9.268 1.00 0.00 O ATOM 661 CB GLU A 47 18.407 2.089 -10.316 1.00 0.00 C ATOM 662 CG GLU A 47 18.180 2.646 -11.712 1.00 0.00 C ATOM 663 CD GLU A 47 19.053 1.977 -12.756 1.00 0.00 C ATOM 664 OE1 GLU A 47 20.264 1.812 -12.500 1.00 0.00 O ATOM 665 OE2 GLU A 47 18.525 1.619 -13.829 1.00 0.00 O ATOM 0 H GLU A 47 16.101 2.356 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 47 17.360 0.301 -10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.229 2.878 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.452 1.793 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.132 2.518 -11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.380 3.717 -11.709 1.00 0.00 H new ATOM 672 N CYS A 48 17.816 0.189 -7.679 1.00 0.00 N ATOM 673 CA CYS A 48 18.392 -0.586 -6.587 1.00 0.00 C ATOM 674 C CYS A 48 17.797 -1.991 -6.545 1.00 0.00 C ATOM 675 O CYS A 48 18.067 -2.763 -5.626 1.00 0.00 O ATOM 676 CB CYS A 48 18.153 0.120 -5.251 1.00 0.00 C ATOM 677 SG CYS A 48 16.395 0.318 -4.818 1.00 0.00 S ATOM 0 H CYS A 48 17.108 0.863 -7.390 1.00 0.00 H new ATOM 0 HA CYS A 48 19.465 -0.669 -6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.649 -0.443 -4.461 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.621 1.104 -5.283 1.00 0.00 H new ATOM 0 HG CYS A 48 16.128 -0.384 -3.757 1.00 0.00 H new ATOM 682 N ASN A 49 16.987 -2.315 -7.547 1.00 0.00 N ATOM 683 CA ASN A 49 16.353 -3.626 -7.625 1.00 0.00 C ATOM 684 C ASN A 49 15.388 -3.834 -6.462 1.00 0.00 C ATOM 685 O ASN A 49 15.422 -4.865 -5.790 1.00 0.00 O ATOM 686 CB ASN A 49 17.414 -4.729 -7.625 1.00 0.00 C ATOM 687 CG ASN A 49 17.854 -5.108 -9.026 1.00 0.00 C ATOM 688 OD1 ASN A 49 18.981 -4.827 -9.433 1.00 0.00 O ATOM 689 ND2 ASN A 49 16.962 -5.749 -9.773 1.00 0.00 N ATOM 0 H ASN A 49 16.754 -1.688 -8.317 1.00 0.00 H new ATOM 0 HA ASN A 49 15.788 -3.674 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.280 -4.396 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.018 -5.610 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.200 -6.028 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.039 -5.962 -9.395 1.00 0.00 H new ATOM 696 N HIS A 50 14.527 -2.848 -6.231 1.00 0.00 N ATOM 697 CA HIS A 50 13.551 -2.923 -5.150 1.00 0.00 C ATOM 698 C HIS A 50 12.184 -2.433 -5.618 1.00 0.00 C ATOM 699 O HIS A 50 12.042 -1.298 -6.072 1.00 0.00 O ATOM 700 CB HIS A 50 14.020 -2.095 -3.953 1.00 0.00 C ATOM 701 CG HIS A 50 15.173 -2.705 -3.217 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.045 -1.969 -2.443 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.594 -3.989 -3.139 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.954 -2.775 -1.922 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.702 -4.006 -2.329 1.00 0.00 N ATOM 0 H HIS A 50 14.485 -1.988 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 50 13.460 -3.966 -4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.305 -1.101 -4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.187 -1.965 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.142 -4.842 -3.624 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.765 -2.478 -1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.243 -4.835 -2.082 1.00 0.00 H new ATOM 713 N SER A 51 11.181 -3.298 -5.505 1.00 0.00 N ATOM 714 CA SER A 51 9.826 -2.956 -5.920 1.00 0.00 C ATOM 715 C SER A 51 9.083 -2.227 -4.805 1.00 0.00 C ATOM 716 O SER A 51 9.186 -2.591 -3.633 1.00 0.00 O ATOM 717 CB SER A 51 9.058 -4.217 -6.320 1.00 0.00 C ATOM 718 OG SER A 51 8.834 -5.055 -5.199 1.00 0.00 O ATOM 0 H SER A 51 11.282 -4.241 -5.129 1.00 0.00 H new ATOM 0 HA SER A 51 9.894 -2.292 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.103 -3.939 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.618 -4.762 -7.079 1.00 0.00 H new ATOM 0 HG SER A 51 8.909 -5.993 -5.472 1.00 0.00 H new ATOM 724 N PHE A 52 8.335 -1.194 -5.177 1.00 0.00 N ATOM 725 CA PHE A 52 7.575 -0.412 -4.209 1.00 0.00 C ATOM 726 C PHE A 52 6.242 0.038 -4.800 1.00 0.00 C ATOM 727 O PHE A 52 5.891 -0.329 -5.922 1.00 0.00 O ATOM 728 CB PHE A 52 8.383 0.807 -3.759 1.00 0.00 C ATOM 729 CG PHE A 52 9.577 0.457 -2.918 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.437 0.206 -1.563 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.840 0.377 -3.483 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.534 -0.115 -0.786 1.00 0.00 C ATOM 733 CE2 PHE A 52 11.941 0.055 -2.712 1.00 0.00 C ATOM 734 CZ PHE A 52 11.788 -0.192 -1.362 1.00 0.00 C ATOM 0 H PHE A 52 8.239 -0.879 -6.142 1.00 0.00 H new ATOM 0 HA PHE A 52 7.374 -1.046 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.717 1.357 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.733 1.475 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.459 0.262 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.965 0.569 -4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.411 -0.305 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.920 -0.003 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.647 -0.445 -0.757 1.00 0.00 H new ATOM 744 N HIS A 53 5.502 0.836 -4.036 1.00 0.00 N ATOM 745 CA HIS A 53 4.207 1.337 -4.483 1.00 0.00 C ATOM 746 C HIS A 53 4.338 2.744 -5.059 1.00 0.00 C ATOM 747 O HIS A 53 4.597 3.701 -4.331 1.00 0.00 O ATOM 748 CB HIS A 53 3.209 1.339 -3.324 1.00 0.00 C ATOM 749 CG HIS A 53 2.824 -0.033 -2.863 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.926 -0.442 -1.550 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.333 -1.092 -3.549 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.516 -1.694 -1.449 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.150 -2.112 -2.647 1.00 0.00 N ATOM 0 H HIS A 53 5.777 1.149 -3.105 1.00 0.00 H new ATOM 0 HA HIS A 53 3.840 0.675 -5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.639 1.888 -2.486 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.311 1.876 -3.629 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.265 0.132 -0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.124 -1.128 -4.608 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.485 -2.277 -0.540 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.790 -3.041 -2.867 1.00 0.00 H new ATOM 761 N ASN A 54 4.157 2.860 -6.371 1.00 0.00 N ATOM 762 CA ASN A 54 4.257 4.149 -7.045 1.00 0.00 C ATOM 763 C ASN A 54 3.701 5.266 -6.167 1.00 0.00 C ATOM 764 O ASN A 54 4.251 6.367 -6.120 1.00 0.00 O ATOM 765 CB ASN A 54 3.506 4.111 -8.377 1.00 0.00 C ATOM 766 CG ASN A 54 2.055 4.530 -8.236 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.253 3.681 -7.606 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.662 5.606 -8.688 1.00 0.00 N flip ATOM 0 H ASN A 54 3.940 2.077 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 54 5.311 4.351 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.003 4.768 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.552 3.102 -8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.315 6.228 -9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.684 5.876 -8.585 1.00 0.00 H new ATOM 775 N CYS A 55 2.606 4.976 -5.472 1.00 0.00 N ATOM 776 CA CYS A 55 1.974 5.954 -4.595 1.00 0.00 C ATOM 777 C CYS A 55 2.840 6.223 -3.367 1.00 0.00 C ATOM 778 O CYS A 55 3.048 7.373 -2.980 1.00 0.00 O ATOM 779 CB CYS A 55 0.592 5.463 -4.160 1.00 0.00 C ATOM 780 SG CYS A 55 0.626 3.963 -3.126 1.00 0.00 S ATOM 0 H CYS A 55 2.138 4.070 -5.499 1.00 0.00 H new ATOM 0 HA CYS A 55 1.863 6.885 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.092 6.260 -3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.008 5.265 -5.049 1.00 0.00 H new ATOM 0 HG CYS A 55 0.056 2.984 -3.763 1.00 0.00 H new ATOM 785 N CYS A 56 3.341 5.153 -2.758 1.00 0.00 N ATOM 786 CA CYS A 56 4.184 5.272 -1.574 1.00 0.00 C ATOM 787 C CYS A 56 5.482 6.004 -1.902 1.00 0.00 C ATOM 788 O CYS A 56 5.800 7.026 -1.294 1.00 0.00 O ATOM 789 CB CYS A 56 4.496 3.887 -1.004 1.00 0.00 C ATOM 790 SG CYS A 56 3.061 3.049 -0.258 1.00 0.00 S ATOM 0 H CYS A 56 3.178 4.194 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 56 3.640 5.851 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.896 3.260 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.278 3.984 -0.251 1.00 0.00 H new ATOM 0 HG CYS A 56 2.026 3.189 -1.032 1.00 0.00 H new ATOM 795 N MET A 57 6.227 5.474 -2.866 1.00 0.00 N ATOM 796 CA MET A 57 7.490 6.077 -3.276 1.00 0.00 C ATOM 797 C MET A 57 7.324 7.575 -3.513 1.00 0.00 C ATOM 798 O MET A 57 8.132 8.380 -3.048 1.00 0.00 O ATOM 799 CB MET A 57 8.014 5.403 -4.545 1.00 0.00 C ATOM 800 CG MET A 57 9.531 5.385 -4.641 1.00 0.00 C ATOM 801 SD MET A 57 10.267 3.992 -3.764 1.00 0.00 S ATOM 802 CE MET A 57 11.465 4.834 -2.734 1.00 0.00 C ATOM 0 H MET A 57 5.978 4.628 -3.378 1.00 0.00 H new ATOM 0 HA MET A 57 8.212 5.931 -2.472 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.644 4.379 -4.582 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.609 5.920 -5.415 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.824 5.344 -5.690 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.928 6.315 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.236 4.129 -2.422 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.923 5.646 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.967 5.240 -1.854 1.00 0.00 H new ATOM 812 N SER A 58 6.273 7.942 -4.239 1.00 0.00 N ATOM 813 CA SER A 58 6.005 9.343 -4.542 1.00 0.00 C ATOM 814 C SER A 58 5.873 10.160 -3.260 1.00 0.00 C ATOM 815 O SER A 58 6.241 11.335 -3.218 1.00 0.00 O ATOM 816 CB SER A 58 4.729 9.472 -5.375 1.00 0.00 C ATOM 817 OG SER A 58 3.592 9.640 -4.545 1.00 0.00 O ATOM 0 H SER A 58 5.593 7.289 -4.628 1.00 0.00 H new ATOM 0 HA SER A 58 6.846 9.732 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.817 10.322 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.603 8.583 -5.993 1.00 0.00 H new ATOM 0 HG SER A 58 3.445 8.824 -4.023 1.00 0.00 H new ATOM 823 N LEU A 59 5.346 9.530 -2.216 1.00 0.00 N ATOM 824 CA LEU A 59 5.165 10.197 -0.931 1.00 0.00 C ATOM 825 C LEU A 59 6.442 10.133 -0.100 1.00 0.00 C ATOM 826 O LEU A 59 6.738 11.046 0.671 1.00 0.00 O ATOM 827 CB LEU A 59 4.009 9.556 -0.161 1.00 0.00 C ATOM 828 CG LEU A 59 2.640 9.603 -0.842 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.670 8.653 -0.158 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.091 11.023 -0.839 1.00 0.00 C ATOM 0 H LEU A 59 5.036 8.558 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 59 4.930 11.244 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.261 8.513 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.927 10.048 0.808 1.00 0.00 H new ATOM 0 HG LEU A 59 2.760 9.283 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.702 8.700 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.057 7.636 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.555 8.941 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.117 11.037 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.987 11.371 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.776 11.679 -1.376 1.00 0.00 H new ATOM 842 N TRP A 60 7.195 9.052 -0.264 1.00 0.00 N ATOM 843 CA TRP A 60 8.442 8.870 0.471 1.00 0.00 C ATOM 844 C TRP A 60 9.512 9.836 -0.027 1.00 0.00 C ATOM 845 O TRP A 60 10.215 10.462 0.766 1.00 0.00 O ATOM 846 CB TRP A 60 8.934 7.429 0.333 1.00 0.00 C ATOM 847 CG TRP A 60 10.253 7.185 1.002 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.493 7.378 0.465 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.461 6.700 2.333 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.460 7.043 1.381 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.853 6.625 2.536 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.608 6.325 3.374 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.408 6.188 3.736 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.160 5.891 4.565 1.00 0.00 C ATOM 855 CH2 TRP A 60 11.549 5.827 4.738 1.00 0.00 C ATOM 0 H TRP A 60 6.964 8.288 -0.899 1.00 0.00 H new ATOM 0 HA TRP A 60 8.249 9.081 1.523 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.189 6.756 0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.020 7.182 -0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.686 7.741 -0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.467 7.097 1.226 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.536 6.373 3.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.478 6.136 3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 9.510 5.596 5.375 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.950 5.486 5.681 1.00 0.00 H new ATOM 866 N VAL A 61 9.630 9.952 -1.346 1.00 0.00 N ATOM 867 CA VAL A 61 10.615 10.843 -1.950 1.00 0.00 C ATOM 868 C VAL A 61 10.454 12.268 -1.434 1.00 0.00 C ATOM 869 O VAL A 61 11.365 13.089 -1.551 1.00 0.00 O ATOM 870 CB VAL A 61 10.499 10.848 -3.486 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.706 9.447 -4.042 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.152 11.408 -3.917 1.00 0.00 C ATOM 0 H VAL A 61 9.056 9.441 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 61 11.599 10.467 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 61 11.280 11.492 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.620 9.470 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.697 9.088 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.949 8.778 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.088 11.404 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.353 10.792 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.049 12.430 -3.551 1.00 0.00 H new ATOM 882 N LYS A 62 9.290 12.558 -0.863 1.00 0.00 N ATOM 883 CA LYS A 62 9.009 13.884 -0.326 1.00 0.00 C ATOM 884 C LYS A 62 9.850 14.158 0.917 1.00 0.00 C ATOM 885 O LYS A 62 10.336 15.271 1.115 1.00 0.00 O ATOM 886 CB LYS A 62 7.523 14.016 0.011 1.00 0.00 C ATOM 887 CG LYS A 62 6.617 13.985 -1.208 1.00 0.00 C ATOM 888 CD LYS A 62 5.362 14.814 -0.992 1.00 0.00 C ATOM 889 CE LYS A 62 4.719 15.207 -2.313 1.00 0.00 C ATOM 890 NZ LYS A 62 3.398 15.864 -2.113 1.00 0.00 N ATOM 0 H LYS A 62 8.525 11.891 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 62 9.269 14.619 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.239 13.208 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.363 14.951 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.159 14.363 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.340 12.955 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.649 14.247 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.611 15.712 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.382 15.882 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.593 14.320 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.992 16.117 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.756 15.211 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.521 16.725 -1.542 1.00 0.00 H new ATOM 904 N GLN A 63 10.017 13.135 1.749 1.00 0.00 N ATOM 905 CA GLN A 63 10.800 13.266 2.972 1.00 0.00 C ATOM 906 C GLN A 63 12.232 12.787 2.757 1.00 0.00 C ATOM 907 O GLN A 63 13.179 13.377 3.274 1.00 0.00 O ATOM 908 CB GLN A 63 10.149 12.474 4.107 1.00 0.00 C ATOM 909 CG GLN A 63 8.749 12.950 4.457 1.00 0.00 C ATOM 910 CD GLN A 63 8.756 14.179 5.345 1.00 0.00 C ATOM 911 OE1 GLN A 63 9.765 14.501 5.972 1.00 0.00 O ATOM 912 NE2 GLN A 63 7.625 14.874 5.403 1.00 0.00 N ATOM 0 H GLN A 63 9.621 12.207 1.599 1.00 0.00 H new ATOM 0 HA GLN A 63 10.827 14.321 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.106 11.422 3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.779 12.542 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.205 13.173 3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.211 12.146 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.812 14.571 4.866 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.570 15.711 5.984 1.00 0.00 H new ATOM 921 N ASN A 64 12.381 11.712 1.990 1.00 0.00 N ATOM 922 CA ASN A 64 13.698 11.152 1.707 1.00 0.00 C ATOM 923 C ASN A 64 13.795 10.699 0.253 1.00 0.00 C ATOM 924 O ASN A 64 13.035 9.841 -0.193 1.00 0.00 O ATOM 925 CB ASN A 64 13.985 9.974 2.640 1.00 0.00 C ATOM 926 CG ASN A 64 15.130 9.111 2.145 1.00 0.00 C ATOM 927 OD1 ASN A 64 16.104 9.613 1.585 1.00 0.00 O ATOM 928 ND2 ASN A 64 15.017 7.804 2.351 1.00 0.00 N ATOM 0 H ASN A 64 11.607 11.211 1.553 1.00 0.00 H new ATOM 0 HA ASN A 64 14.441 11.931 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.221 10.351 3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.088 9.363 2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.756 7.173 2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.191 7.431 2.820 1.00 0.00 H new ATOM 935 N ASN A 65 14.737 11.283 -0.481 1.00 0.00 N ATOM 936 CA ASN A 65 14.934 10.940 -1.885 1.00 0.00 C ATOM 937 C ASN A 65 15.734 9.648 -2.022 1.00 0.00 C ATOM 938 O ASN A 65 16.233 9.326 -3.100 1.00 0.00 O ATOM 939 CB ASN A 65 15.653 12.077 -2.613 1.00 0.00 C ATOM 940 CG ASN A 65 15.599 11.923 -4.121 1.00 0.00 C ATOM 941 OD1 ASN A 65 16.585 11.543 -4.752 1.00 0.00 O ATOM 942 ND2 ASN A 65 14.444 12.219 -4.705 1.00 0.00 N ATOM 0 H ASN A 65 15.375 11.995 -0.127 1.00 0.00 H new ATOM 0 HA ASN A 65 13.954 10.790 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.201 13.028 -2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.694 12.110 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.348 12.135 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.653 12.530 -4.142 1.00 0.00 H new ATOM 949 N ARG A 66 15.851 8.911 -0.922 1.00 0.00 N ATOM 950 CA ARG A 66 16.591 7.655 -0.918 1.00 0.00 C ATOM 951 C ARG A 66 15.659 6.476 -0.652 1.00 0.00 C ATOM 952 O ARG A 66 14.560 6.647 -0.122 1.00 0.00 O ATOM 953 CB ARG A 66 17.697 7.692 0.137 1.00 0.00 C ATOM 954 CG ARG A 66 18.714 8.800 -0.085 1.00 0.00 C ATOM 955 CD ARG A 66 19.837 8.739 0.938 1.00 0.00 C ATOM 956 NE ARG A 66 20.857 9.755 0.692 1.00 0.00 N ATOM 957 CZ ARG A 66 22.114 9.651 1.110 1.00 0.00 C ATOM 958 NH1 ARG A 66 22.503 8.582 1.790 1.00 0.00 N ATOM 959 NH2 ARG A 66 22.984 10.618 0.847 1.00 0.00 N ATOM 0 H ARG A 66 15.442 9.162 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 66 17.042 7.526 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.245 7.817 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.214 6.732 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.130 8.717 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.218 9.768 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.424 8.874 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.296 7.751 0.914 1.00 0.00 H new ATOM 0 HE ARG A 66 20.590 10.590 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.837 7.837 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 66 23.468 8.504 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 66 22.688 11.442 0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.949 10.537 1.168 1.00 0.00 H new ATOM 973 N CYS A 67 16.104 5.281 -1.024 1.00 0.00 N ATOM 974 CA CYS A 67 15.311 4.074 -0.827 1.00 0.00 C ATOM 975 C CYS A 67 15.303 3.662 0.643 1.00 0.00 C ATOM 976 O CYS A 67 16.343 3.586 1.297 1.00 0.00 O ATOM 977 CB CYS A 67 15.860 2.932 -1.685 1.00 0.00 C ATOM 978 SG CYS A 67 14.886 1.395 -1.589 1.00 0.00 S ATOM 0 H CYS A 67 17.010 5.123 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 67 14.287 4.289 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 67 15.901 3.259 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 67 16.884 2.720 -1.377 1.00 0.00 H new ATOM 0 HG CYS A 67 13.781 1.539 -2.258 1.00 0.00 H new ATOM 983 N PRO A 68 14.102 3.389 1.174 1.00 0.00 N ATOM 984 CA PRO A 68 13.929 2.980 2.571 1.00 0.00 C ATOM 985 C PRO A 68 14.473 1.580 2.836 1.00 0.00 C ATOM 986 O PRO A 68 14.317 1.040 3.932 1.00 0.00 O ATOM 987 CB PRO A 68 12.411 3.009 2.764 1.00 0.00 C ATOM 988 CG PRO A 68 11.852 2.805 1.398 1.00 0.00 C ATOM 989 CD PRO A 68 12.821 3.459 0.452 1.00 0.00 C ATOM 0 HA PRO A 68 14.472 3.631 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.084 2.225 3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.084 3.958 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.745 1.744 1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.861 3.251 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.868 2.934 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.538 4.489 0.235 1.00 0.00 H new ATOM 997 N LEU A 69 15.113 0.998 1.828 1.00 0.00 N ATOM 998 CA LEU A 69 15.681 -0.339 1.953 1.00 0.00 C ATOM 999 C LEU A 69 17.204 -0.294 1.870 1.00 0.00 C ATOM 1000 O LEU A 69 17.899 -0.921 2.670 1.00 0.00 O ATOM 1001 CB LEU A 69 15.127 -1.255 0.860 1.00 0.00 C ATOM 1002 CG LEU A 69 13.879 -2.058 1.226 1.00 0.00 C ATOM 1003 CD1 LEU A 69 12.746 -1.128 1.632 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.454 -2.943 0.064 1.00 0.00 C ATOM 0 H LEU A 69 15.251 1.431 0.915 1.00 0.00 H new ATOM 0 HA LEU A 69 15.400 -0.736 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.899 -0.646 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.911 -1.953 0.567 1.00 0.00 H new ATOM 0 HG LEU A 69 14.119 -2.698 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.866 -1.717 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.052 -0.537 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.507 -0.462 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.564 -3.507 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.233 -2.322 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.260 -3.635 -0.180 1.00 0.00 H new ATOM 1016 N CYS A 70 17.716 0.454 0.898 1.00 0.00 N ATOM 1017 CA CYS A 70 19.156 0.583 0.711 1.00 0.00 C ATOM 1018 C CYS A 70 19.601 2.031 0.899 1.00 0.00 C ATOM 1019 O CYS A 70 20.739 2.385 0.593 1.00 0.00 O ATOM 1020 CB CYS A 70 19.557 0.092 -0.681 1.00 0.00 C ATOM 1021 SG CYS A 70 18.538 0.769 -2.031 1.00 0.00 S ATOM 0 H CYS A 70 17.155 0.980 0.228 1.00 0.00 H new ATOM 0 HA CYS A 70 19.651 -0.032 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.600 0.354 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.494 -0.996 -0.703 1.00 0.00 H new ATOM 0 HG CYS A 70 17.283 0.714 -1.697 1.00 0.00 H new ATOM 1026 N GLN A 71 18.695 2.862 1.404 1.00 0.00 N ATOM 1027 CA GLN A 71 18.994 4.270 1.632 1.00 0.00 C ATOM 1028 C GLN A 71 19.956 4.801 0.574 1.00 0.00 C ATOM 1029 O GLN A 71 20.851 5.589 0.877 1.00 0.00 O ATOM 1030 CB GLN A 71 19.592 4.467 3.027 1.00 0.00 C ATOM 1031 CG GLN A 71 20.411 3.282 3.511 1.00 0.00 C ATOM 1032 CD GLN A 71 19.553 2.075 3.839 1.00 0.00 C ATOM 1033 OE1 GLN A 71 19.849 0.956 3.418 1.00 0.00 O ATOM 1034 NE2 GLN A 71 18.484 2.296 4.594 1.00 0.00 N ATOM 0 H GLN A 71 17.748 2.584 1.663 1.00 0.00 H new ATOM 0 HA GLN A 71 18.061 4.829 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.223 5.356 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.785 4.654 3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.137 3.010 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.976 3.573 4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.277 3.240 4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.870 1.522 4.847 1.00 0.00 H new ATOM 1043 N GLN A 72 19.764 4.363 -0.666 1.00 0.00 N ATOM 1044 CA GLN A 72 20.616 4.793 -1.768 1.00 0.00 C ATOM 1045 C GLN A 72 19.859 5.721 -2.711 1.00 0.00 C ATOM 1046 O GLN A 72 18.666 5.967 -2.531 1.00 0.00 O ATOM 1047 CB GLN A 72 21.141 3.581 -2.539 1.00 0.00 C ATOM 1048 CG GLN A 72 22.319 2.895 -1.866 1.00 0.00 C ATOM 1049 CD GLN A 72 23.281 2.277 -2.862 1.00 0.00 C ATOM 1050 OE1 GLN A 72 23.039 2.296 -4.069 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.379 1.724 -2.360 1.00 0.00 N ATOM 0 H GLN A 72 19.026 3.711 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 72 21.460 5.341 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.332 2.860 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.438 3.898 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.854 3.619 -1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.948 2.120 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.539 1.731 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.063 1.292 -2.982 1.00 0.00 H new ATOM 1060 N ASP A 73 20.559 6.235 -3.717 1.00 0.00 N ATOM 1061 CA ASP A 73 19.952 7.136 -4.689 1.00 0.00 C ATOM 1062 C ASP A 73 18.811 6.446 -5.431 1.00 0.00 C ATOM 1063 O ASP A 73 19.038 5.712 -6.393 1.00 0.00 O ATOM 1064 CB ASP A 73 21.002 7.627 -5.687 1.00 0.00 C ATOM 1065 CG ASP A 73 21.848 8.754 -5.128 1.00 0.00 C ATOM 1066 OD1 ASP A 73 22.205 8.692 -3.933 1.00 0.00 O ATOM 1067 OD2 ASP A 73 22.155 9.697 -5.887 1.00 0.00 O ATOM 0 H ASP A 73 21.547 6.043 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 73 19.546 7.992 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.649 6.796 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.505 7.966 -6.596 1.00 0.00 H new ATOM 1072 N TRP A 74 17.586 6.686 -4.977 1.00 0.00 N ATOM 1073 CA TRP A 74 16.410 6.087 -5.598 1.00 0.00 C ATOM 1074 C TRP A 74 16.251 6.565 -7.037 1.00 0.00 C ATOM 1075 O TRP A 74 16.227 7.767 -7.303 1.00 0.00 O ATOM 1076 CB TRP A 74 15.155 6.426 -4.792 1.00 0.00 C ATOM 1077 CG TRP A 74 13.889 5.944 -5.434 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.923 6.712 -6.020 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.452 4.586 -5.554 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.912 5.914 -6.496 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.213 4.605 -6.224 1.00 0.00 C ATOM 1082 CE3 TRP A 74 13.987 3.356 -5.163 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.503 3.442 -6.508 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.281 2.202 -5.446 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.050 2.251 -6.114 1.00 0.00 C ATOM 0 H TRP A 74 17.381 7.291 -4.182 1.00 0.00 H new ATOM 0 HA TRP A 74 16.546 5.006 -5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.240 5.986 -3.798 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.098 7.506 -4.659 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.950 7.789 -6.098 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.073 6.242 -6.974 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.935 3.308 -4.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.554 3.478 -7.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.685 1.246 -5.147 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.523 1.331 -6.322 1.00 0.00 H new ATOM 1096 N VAL A 75 16.140 5.617 -7.962 1.00 0.00 N ATOM 1097 CA VAL A 75 15.981 5.942 -9.374 1.00 0.00 C ATOM 1098 C VAL A 75 14.930 5.053 -10.028 1.00 0.00 C ATOM 1099 O VAL A 75 15.152 3.860 -10.235 1.00 0.00 O ATOM 1100 CB VAL A 75 17.311 5.793 -10.138 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.112 6.081 -11.618 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.370 6.710 -9.545 1.00 0.00 C ATOM 0 H VAL A 75 16.157 4.618 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 75 15.656 6.981 -9.424 1.00 0.00 H new ATOM 0 HB VAL A 75 17.656 4.764 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.062 5.971 -12.141 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.387 5.380 -12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.744 7.099 -11.744 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.303 6.592 -10.096 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.035 7.745 -9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.531 6.451 -8.499 1.00 0.00 H new ATOM 1112 N VAL A 76 13.783 5.641 -10.352 1.00 0.00 N ATOM 1113 CA VAL A 76 12.696 4.903 -10.984 1.00 0.00 C ATOM 1114 C VAL A 76 13.201 4.096 -12.175 1.00 0.00 C ATOM 1115 O VAL A 76 13.688 4.658 -13.156 1.00 0.00 O ATOM 1116 CB VAL A 76 11.575 5.848 -11.456 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.477 5.065 -12.159 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.013 6.634 -10.281 1.00 0.00 C ATOM 0 H VAL A 76 13.582 6.627 -10.187 1.00 0.00 H new ATOM 0 HA VAL A 76 12.295 4.224 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 76 11.996 6.556 -12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.694 5.749 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.894 4.551 -13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.055 4.332 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.222 7.297 -10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.607 5.943 -9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.807 7.226 -9.826 1.00 0.00 H new ATOM 1128 N GLN A 77 13.079 2.776 -12.083 1.00 0.00 N ATOM 1129 CA GLN A 77 13.523 1.891 -13.154 1.00 0.00 C ATOM 1130 C GLN A 77 12.346 1.446 -14.015 1.00 0.00 C ATOM 1131 O GLN A 77 12.360 1.611 -15.235 1.00 0.00 O ATOM 1132 CB GLN A 77 14.236 0.669 -12.572 1.00 0.00 C ATOM 1133 CG GLN A 77 15.009 -0.133 -13.606 1.00 0.00 C ATOM 1134 CD GLN A 77 16.161 -0.910 -12.999 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.313 -0.754 -13.406 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.857 -1.753 -12.020 1.00 0.00 N ATOM 0 H GLN A 77 12.677 2.296 -11.278 1.00 0.00 H new ATOM 0 HA GLN A 77 14.221 2.444 -13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.922 0.997 -11.791 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.499 0.021 -12.098 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.331 -0.826 -14.104 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.394 0.542 -14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.889 -1.851 -11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.591 -2.303 -11.574 1.00 0.00 H new ATOM 1145 N ARG A 78 11.329 0.881 -13.373 1.00 0.00 N ATOM 1146 CA ARG A 78 10.145 0.410 -14.081 1.00 0.00 C ATOM 1147 C ARG A 78 8.875 0.775 -13.318 1.00 0.00 C ATOM 1148 O ARG A 78 8.921 1.080 -12.126 1.00 0.00 O ATOM 1149 CB ARG A 78 10.214 -1.105 -14.283 1.00 0.00 C ATOM 1150 CG ARG A 78 11.497 -1.573 -14.949 1.00 0.00 C ATOM 1151 CD ARG A 78 11.635 -3.086 -14.892 1.00 0.00 C ATOM 1152 NE ARG A 78 11.980 -3.554 -13.552 1.00 0.00 N ATOM 1153 CZ ARG A 78 12.605 -4.702 -13.313 1.00 0.00 C ATOM 1154 NH1 ARG A 78 12.952 -5.494 -14.319 1.00 0.00 N ATOM 1155 NH2 ARG A 78 12.885 -5.059 -12.066 1.00 0.00 N ATOM 0 H ARG A 78 11.301 0.738 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 78 10.116 0.898 -15.055 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.117 -1.597 -13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.364 -1.421 -14.888 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.509 -1.244 -15.988 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.353 -1.110 -14.458 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.699 -3.547 -15.207 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.402 -3.407 -15.597 1.00 0.00 H new ATOM 0 HE ARG A 78 11.727 -2.968 -12.756 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.739 -5.222 -15.279 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.432 -6.375 -14.133 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.620 -4.452 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.365 -5.940 -11.883 1.00 0.00 H new ATOM 1169 N ILE A 79 7.743 0.741 -14.013 1.00 0.00 N ATOM 1170 CA ILE A 79 6.461 1.068 -13.401 1.00 0.00 C ATOM 1171 C ILE A 79 5.338 0.226 -13.996 1.00 0.00 C ATOM 1172 O ILE A 79 5.268 0.033 -15.209 1.00 0.00 O ATOM 1173 CB ILE A 79 6.118 2.559 -13.575 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.151 3.430 -12.859 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.719 2.845 -13.049 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.037 4.901 -13.192 1.00 0.00 C ATOM 0 H ILE A 79 7.688 0.490 -15.000 1.00 0.00 H new ATOM 0 HA ILE A 79 6.553 0.847 -12.338 1.00 0.00 H new ATOM 0 HB ILE A 79 6.142 2.801 -14.638 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.040 3.300 -11.782 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.151 3.083 -13.121 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.491 3.903 -13.179 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.994 2.247 -13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.669 2.590 -11.990 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.801 5.457 -12.648 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.178 5.043 -14.263 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.050 5.264 -12.904 1.00 0.00 H new ATOM 1188 N GLY A 80 4.458 -0.273 -13.132 1.00 0.00 N ATOM 1189 CA GLY A 80 3.348 -1.087 -13.591 1.00 0.00 C ATOM 1190 C GLY A 80 3.264 -2.415 -12.865 1.00 0.00 C ATOM 1191 O GLY A 80 4.051 -2.687 -11.958 1.00 0.00 O ATOM 0 H GLY A 80 4.495 -0.128 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.416 -0.539 -13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.452 -1.267 -14.661 1.00 0.00 H new ATOM 1195 N LYS A 81 2.306 -3.246 -13.263 1.00 0.00 N ATOM 1196 CA LYS A 81 2.120 -4.553 -12.645 1.00 0.00 C ATOM 1197 C LYS A 81 3.299 -5.472 -12.951 1.00 0.00 C ATOM 1198 O LYS A 81 4.029 -5.215 -13.907 1.00 0.00 O ATOM 1199 CB LYS A 81 0.820 -5.193 -13.137 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.426 -4.417 -12.745 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.733 -4.566 -11.264 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.960 -3.761 -10.865 1.00 0.00 C ATOM 1203 NZ LYS A 81 -2.578 -4.275 -9.612 1.00 0.00 N ATOM 0 H LYS A 81 1.646 -3.037 -14.012 1.00 0.00 H new ATOM 0 HA LYS A 81 2.062 -4.412 -11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.856 -5.281 -14.223 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.749 -6.205 -12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.289 -3.363 -12.985 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.275 -4.770 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.895 -5.618 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.125 -4.237 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.680 -2.716 -10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.693 -3.793 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.411 -3.699 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.868 -5.264 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.887 -4.221 -8.837 1.00 0.00 H new