USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=22 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 48 CYS SG : rot 162:sc= -0.864 USER MOD Set 1.2: A 50 HIS : no HE2:sc= 0.0232 K(o=-0.65,f=-6.3!) USER MOD Set 1.3: A 67 CYS SG : rot 45:sc= 1.23 USER MOD Set 1.4: A 70 CYS SG : rot -43:sc= -1.04 USER MOD Set 2.1: A 18 CYS SG : rot 130:sc= -0.527 USER MOD Set 2.2: A 21 CYS SG : rot -53:sc= -1.38 USER MOD Set 2.3: A 29 CYS SG : rot -130:sc= 0.431 USER MOD Set 2.4: A 32 CYS SG : rot 85:sc= -0.853 USER MOD Set 2.5: A 41 CYS SG : rot 63:sc= 0.96 USER MOD Set 2.6: A 53 HIS : +bothHN:sc= -1.07! C(o=-3.8!,f=-12!) USER MOD Set 2.7: A 55 CYS SG : rot 71:sc= -0.203 USER MOD Set 2.8: A 56 CYS SG : rot -172:sc= -1.12 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00428 X(o=-0.0043,f=-0.0043) USER MOD Single : A 26 MET CE :methyl -171:sc= 0 (180deg=-0.0821) USER MOD Single : A 33 GLN : amide:sc= 0.983 K(o=0.98,f=-0.59) USER MOD Single : A 36 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.05) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -16.4! C(o=-20!,f=-16!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.315 F(o=-1.7,f=-0.32) USER MOD Single : A 57 MET CE :methyl -130:sc= -0.237 (180deg=-1.88) USER MOD Single : A 58 SER OG : rot 85:sc= 0.637 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.18) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.688 F(o=-2,f=-0.69) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.905 F(o=-4.1!,f=-0.9) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -144:sc= -0.0693 (180deg=-0.385) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.680 -6.535 -0.005 1.00 0.00 N ATOM 209 CA THR A 17 7.499 -5.892 0.557 1.00 0.00 C ATOM 210 C THR A 17 7.747 -4.408 0.804 1.00 0.00 C ATOM 211 O THR A 17 8.763 -4.026 1.385 1.00 0.00 O ATOM 212 CB THR A 17 7.072 -6.557 1.879 1.00 0.00 C ATOM 213 OG1 THR A 17 6.564 -7.871 1.624 1.00 0.00 O ATOM 214 CG2 THR A 17 6.011 -5.726 2.584 1.00 0.00 C ATOM 0 HA THR A 17 6.698 -6.007 -0.173 1.00 0.00 H new ATOM 0 HB THR A 17 7.947 -6.625 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.296 -8.288 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.725 -6.215 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.410 -4.736 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.136 -5.631 1.941 1.00 0.00 H new ATOM 222 N CYS A 18 6.811 -3.575 0.361 1.00 0.00 N ATOM 223 CA CYS A 18 6.927 -2.132 0.535 1.00 0.00 C ATOM 224 C CYS A 18 7.235 -1.782 1.988 1.00 0.00 C ATOM 225 O CYS A 18 6.375 -1.899 2.861 1.00 0.00 O ATOM 226 CB CYS A 18 5.636 -1.439 0.094 1.00 0.00 C ATOM 227 SG CYS A 18 5.689 0.378 0.216 1.00 0.00 S ATOM 0 H CYS A 18 5.964 -3.875 -0.121 1.00 0.00 H new ATOM 0 HA CYS A 18 7.751 -1.781 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.421 -1.717 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.811 -1.810 0.703 1.00 0.00 H new ATOM 0 HG CYS A 18 5.292 0.900 -0.906 1.00 0.00 H new ATOM 232 N ALA A 19 8.467 -1.352 2.239 1.00 0.00 N ATOM 233 CA ALA A 19 8.888 -0.982 3.585 1.00 0.00 C ATOM 234 C ALA A 19 8.286 0.356 4.000 1.00 0.00 C ATOM 235 O ALA A 19 8.453 0.795 5.138 1.00 0.00 O ATOM 236 CB ALA A 19 10.406 -0.928 3.666 1.00 0.00 C ATOM 0 H ALA A 19 9.191 -1.251 1.528 1.00 0.00 H new ATOM 0 HA ALA A 19 8.525 -1.743 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.707 -0.651 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.819 -1.907 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.782 -0.188 2.959 1.00 0.00 H new ATOM 242 N ILE A 20 7.586 0.998 3.071 1.00 0.00 N ATOM 243 CA ILE A 20 6.959 2.286 3.343 1.00 0.00 C ATOM 244 C ILE A 20 5.634 2.109 4.076 1.00 0.00 C ATOM 245 O ILE A 20 5.368 2.784 5.071 1.00 0.00 O ATOM 246 CB ILE A 20 6.713 3.077 2.044 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.960 3.047 1.158 1.00 0.00 C ATOM 248 CG2 ILE A 20 6.318 4.511 2.364 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.716 3.553 -0.246 1.00 0.00 C ATOM 0 H ILE A 20 7.439 0.648 2.124 1.00 0.00 H new ATOM 0 HA ILE A 20 7.648 2.846 3.975 1.00 0.00 H new ATOM 0 HB ILE A 20 5.893 2.608 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.740 3.650 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.335 2.025 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.148 5.057 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.405 4.513 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.118 4.992 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.643 3.503 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.959 2.935 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.370 4.586 -0.206 1.00 0.00 H new ATOM 261 N CYS A 21 4.807 1.195 3.580 1.00 0.00 N ATOM 262 CA CYS A 21 3.510 0.926 4.188 1.00 0.00 C ATOM 263 C CYS A 21 3.444 -0.502 4.722 1.00 0.00 C ATOM 264 O CYS A 21 2.484 -0.881 5.392 1.00 0.00 O ATOM 265 CB CYS A 21 2.389 1.154 3.171 1.00 0.00 C ATOM 266 SG CYS A 21 2.401 -0.018 1.776 1.00 0.00 S ATOM 0 H CYS A 21 5.013 0.628 2.758 1.00 0.00 H new ATOM 0 HA CYS A 21 3.379 1.614 5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.429 1.084 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.468 2.168 2.780 1.00 0.00 H new ATOM 0 HG CYS A 21 3.577 -0.021 1.222 1.00 0.00 H new ATOM 271 N ARG A 22 4.472 -1.288 4.419 1.00 0.00 N ATOM 272 CA ARG A 22 4.531 -2.674 4.867 1.00 0.00 C ATOM 273 C ARG A 22 3.424 -3.502 4.221 1.00 0.00 C ATOM 274 O ARG A 22 2.816 -4.357 4.866 1.00 0.00 O ATOM 275 CB ARG A 22 4.412 -2.745 6.391 1.00 0.00 C ATOM 276 CG ARG A 22 5.439 -1.896 7.122 1.00 0.00 C ATOM 277 CD ARG A 22 6.768 -2.623 7.256 1.00 0.00 C ATOM 278 NE ARG A 22 7.675 -1.940 8.175 1.00 0.00 N ATOM 279 CZ ARG A 22 8.714 -2.529 8.757 1.00 0.00 C ATOM 280 NH1 ARG A 22 8.976 -3.806 8.515 1.00 0.00 N ATOM 281 NH2 ARG A 22 9.493 -1.841 9.581 1.00 0.00 N ATOM 0 H ARG A 22 5.275 -0.989 3.865 1.00 0.00 H new ATOM 0 HA ARG A 22 5.493 -3.087 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.413 -2.424 6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.519 -3.783 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.588 -0.960 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.062 -1.639 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.591 -3.639 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.238 -2.703 6.276 1.00 0.00 H new ATOM 0 HE ARG A 22 7.501 -0.956 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.379 -4.338 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.774 -4.257 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.295 -0.858 9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.290 -2.295 10.027 1.00 0.00 H new ATOM 295 N VAL A 23 3.168 -3.243 2.943 1.00 0.00 N ATOM 296 CA VAL A 23 2.135 -3.964 2.208 1.00 0.00 C ATOM 297 C VAL A 23 2.692 -4.562 0.921 1.00 0.00 C ATOM 298 O VAL A 23 3.548 -3.965 0.269 1.00 0.00 O ATOM 299 CB VAL A 23 0.947 -3.046 1.863 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.168 -3.842 1.201 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.440 -2.339 3.111 1.00 0.00 C ATOM 0 H VAL A 23 3.662 -2.539 2.395 1.00 0.00 H new ATOM 0 HA VAL A 23 1.787 -4.767 2.857 1.00 0.00 H new ATOM 0 HB VAL A 23 1.288 -2.288 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.999 -3.177 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.205 -4.297 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.510 -4.623 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.399 -1.695 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.114 -3.079 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.241 -1.736 3.538 1.00 0.00 H new ATOM 311 N GLN A 24 2.199 -5.743 0.562 1.00 0.00 N ATOM 312 CA GLN A 24 2.648 -6.421 -0.648 1.00 0.00 C ATOM 313 C GLN A 24 2.798 -5.435 -1.801 1.00 0.00 C ATOM 314 O GLN A 24 1.809 -4.998 -2.389 1.00 0.00 O ATOM 315 CB GLN A 24 1.665 -7.529 -1.031 1.00 0.00 C ATOM 316 CG GLN A 24 1.850 -8.809 -0.233 1.00 0.00 C ATOM 317 CD GLN A 24 3.019 -9.640 -0.723 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.998 -10.167 -1.836 1.00 0.00 O ATOM 319 NE2 GLN A 24 4.049 -9.760 0.106 1.00 0.00 N ATOM 0 H GLN A 24 1.489 -6.250 1.091 1.00 0.00 H new ATOM 0 HA GLN A 24 3.623 -6.864 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.647 -7.166 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.778 -7.753 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.002 -8.559 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.938 -9.403 -0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.024 -9.306 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.865 -10.306 -0.170 1.00 0.00 H new ATOM 328 N VAL A 25 4.041 -5.089 -2.121 1.00 0.00 N ATOM 329 CA VAL A 25 4.320 -4.155 -3.205 1.00 0.00 C ATOM 330 C VAL A 25 3.515 -4.504 -4.452 1.00 0.00 C ATOM 331 O VAL A 25 3.121 -3.623 -5.215 1.00 0.00 O ATOM 332 CB VAL A 25 5.818 -4.141 -3.562 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.333 -5.558 -3.759 1.00 0.00 C ATOM 334 CG2 VAL A 25 6.061 -3.298 -4.805 1.00 0.00 C ATOM 0 H VAL A 25 4.871 -5.442 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 25 4.029 -3.165 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 25 6.367 -3.693 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.393 -5.528 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.194 -6.127 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.781 -6.036 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.125 -3.299 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.501 -3.715 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.731 -2.275 -4.621 1.00 0.00 H new ATOM 344 N MET A 26 3.273 -5.796 -4.651 1.00 0.00 N ATOM 345 CA MET A 26 2.513 -6.261 -5.805 1.00 0.00 C ATOM 346 C MET A 26 1.045 -5.866 -5.685 1.00 0.00 C ATOM 347 O MET A 26 0.388 -5.572 -6.683 1.00 0.00 O ATOM 348 CB MET A 26 2.635 -7.780 -5.944 1.00 0.00 C ATOM 349 CG MET A 26 4.061 -8.258 -6.163 1.00 0.00 C ATOM 350 SD MET A 26 4.500 -8.359 -7.908 1.00 0.00 S ATOM 351 CE MET A 26 5.987 -7.361 -7.942 1.00 0.00 C ATOM 0 H MET A 26 3.592 -6.538 -4.029 1.00 0.00 H new ATOM 0 HA MET A 26 2.926 -5.787 -6.695 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.236 -8.252 -5.046 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.017 -8.111 -6.779 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.749 -7.580 -5.658 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.186 -9.239 -5.704 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.290 -7.194 -8.976 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.793 -6.402 -7.462 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.785 -7.879 -7.409 1.00 0.00 H new ATOM 361 N ASP A 27 0.537 -5.861 -4.457 1.00 0.00 N ATOM 362 CA ASP A 27 -0.854 -5.501 -4.206 1.00 0.00 C ATOM 363 C ASP A 27 -0.970 -4.036 -3.796 1.00 0.00 C ATOM 364 O ASP A 27 0.034 -3.365 -3.563 1.00 0.00 O ATOM 365 CB ASP A 27 -1.446 -6.397 -3.117 1.00 0.00 C ATOM 366 CG ASP A 27 -1.764 -7.790 -3.624 1.00 0.00 C ATOM 367 OD1 ASP A 27 -0.829 -8.612 -3.727 1.00 0.00 O ATOM 368 OD2 ASP A 27 -2.948 -8.060 -3.916 1.00 0.00 O ATOM 0 H ASP A 27 1.068 -6.102 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.414 -5.647 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.744 -6.467 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.355 -5.939 -2.728 1.00 0.00 H new ATOM 373 N ALA A 28 -2.203 -3.547 -3.712 1.00 0.00 N ATOM 374 CA ALA A 28 -2.451 -2.163 -3.330 1.00 0.00 C ATOM 375 C ALA A 28 -2.161 -1.942 -1.849 1.00 0.00 C ATOM 376 O ALA A 28 -2.351 -2.839 -1.028 1.00 0.00 O ATOM 377 CB ALA A 28 -3.886 -1.775 -3.652 1.00 0.00 C ATOM 0 H ALA A 28 -3.045 -4.089 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.777 -1.527 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.057 -0.738 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.061 -1.885 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.570 -2.423 -3.104 1.00 0.00 H new ATOM 383 N CYS A 29 -1.698 -0.742 -1.515 1.00 0.00 N ATOM 384 CA CYS A 29 -1.381 -0.402 -0.133 1.00 0.00 C ATOM 385 C CYS A 29 -2.653 -0.175 0.678 1.00 0.00 C ATOM 386 O CYS A 29 -3.725 0.062 0.119 1.00 0.00 O ATOM 387 CB CYS A 29 -0.500 0.848 -0.082 1.00 0.00 C ATOM 388 SG CYS A 29 -1.322 2.360 -0.680 1.00 0.00 S ATOM 0 H CYS A 29 -1.534 0.011 -2.183 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.838 -1.239 0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.172 1.007 0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.395 0.673 -0.679 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.562 2.951 -1.553 1.00 0.00 H new ATOM 393 N LEU A 30 -2.527 -0.249 1.998 1.00 0.00 N ATOM 394 CA LEU A 30 -3.667 -0.051 2.888 1.00 0.00 C ATOM 395 C LEU A 30 -4.343 1.289 2.616 1.00 0.00 C ATOM 396 O LEU A 30 -5.477 1.520 3.036 1.00 0.00 O ATOM 397 CB LEU A 30 -3.218 -0.122 4.348 1.00 0.00 C ATOM 398 CG LEU A 30 -3.185 -1.517 4.973 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.541 -1.470 6.350 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.589 -2.097 5.058 1.00 0.00 C ATOM 0 H LEU A 30 -1.648 -0.445 2.476 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.388 -0.846 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.220 0.311 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.883 0.505 4.942 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.584 -2.165 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.526 -2.472 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.520 -1.098 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.114 -0.806 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.546 -3.090 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.214 -1.449 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.015 -2.168 4.057 1.00 0.00 H new ATOM 412 N ARG A 31 -3.640 2.169 1.911 1.00 0.00 N ATOM 413 CA ARG A 31 -4.172 3.486 1.583 1.00 0.00 C ATOM 414 C ARG A 31 -4.978 3.439 0.288 1.00 0.00 C ATOM 415 O ARG A 31 -5.930 4.200 0.108 1.00 0.00 O ATOM 416 CB ARG A 31 -3.035 4.501 1.452 1.00 0.00 C ATOM 417 CG ARG A 31 -2.016 4.422 2.576 1.00 0.00 C ATOM 418 CD ARG A 31 -2.578 4.971 3.878 1.00 0.00 C ATOM 419 NE ARG A 31 -2.887 6.395 3.782 1.00 0.00 N ATOM 420 CZ ARG A 31 -2.998 7.195 4.837 1.00 0.00 C ATOM 421 NH1 ARG A 31 -2.825 6.714 6.060 1.00 0.00 N ATOM 422 NH2 ARG A 31 -3.282 8.481 4.669 1.00 0.00 N ATOM 0 H ARG A 31 -2.700 1.994 1.556 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.834 3.795 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.527 4.344 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.457 5.506 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.710 3.386 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.123 4.982 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.481 4.421 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.858 4.809 4.680 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.025 6.797 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.606 5.727 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.911 7.331 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.415 8.855 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.367 9.095 5.479 1.00 0.00 H new ATOM 436 N CYS A 32 -4.591 2.541 -0.612 1.00 0.00 N ATOM 437 CA CYS A 32 -5.275 2.395 -1.891 1.00 0.00 C ATOM 438 C CYS A 32 -6.360 1.324 -1.808 1.00 0.00 C ATOM 439 O CYS A 32 -7.316 1.334 -2.583 1.00 0.00 O ATOM 440 CB CYS A 32 -4.274 2.038 -2.991 1.00 0.00 C ATOM 441 SG CYS A 32 -3.207 3.423 -3.504 1.00 0.00 S ATOM 0 H CYS A 32 -3.806 1.903 -0.479 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.746 3.347 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.645 1.218 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.821 1.673 -3.861 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.186 3.503 -2.704 1.00 0.00 H new ATOM 446 N GLN A 33 -6.203 0.403 -0.863 1.00 0.00 N ATOM 447 CA GLN A 33 -7.168 -0.675 -0.679 1.00 0.00 C ATOM 448 C GLN A 33 -8.479 -0.140 -0.113 1.00 0.00 C ATOM 449 O GLN A 33 -9.558 -0.624 -0.455 1.00 0.00 O ATOM 450 CB GLN A 33 -6.597 -1.746 0.251 1.00 0.00 C ATOM 451 CG GLN A 33 -5.445 -2.530 -0.359 1.00 0.00 C ATOM 452 CD GLN A 33 -5.161 -3.821 0.383 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.070 -4.601 0.666 1.00 0.00 O ATOM 454 NE2 GLN A 33 -3.893 -4.054 0.701 1.00 0.00 N ATOM 0 H GLN A 33 -5.417 0.381 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.368 -1.120 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.256 -1.272 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.392 -2.439 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.676 -2.757 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.548 -1.910 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.171 -3.380 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.641 -4.907 1.200 1.00 0.00 H new ATOM 463 N ALA A 34 -8.379 0.861 0.756 1.00 0.00 N ATOM 464 CA ALA A 34 -9.557 1.462 1.369 1.00 0.00 C ATOM 465 C ALA A 34 -10.267 2.394 0.393 1.00 0.00 C ATOM 466 O ALA A 34 -11.496 2.418 0.326 1.00 0.00 O ATOM 467 CB ALA A 34 -9.169 2.215 2.633 1.00 0.00 C ATOM 0 H ALA A 34 -7.494 1.273 1.051 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.247 0.661 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.059 2.659 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.712 1.525 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.457 3.002 2.384 1.00 0.00 H new ATOM 473 N GLU A 35 -9.486 3.161 -0.361 1.00 0.00 N ATOM 474 CA GLU A 35 -10.042 4.096 -1.332 1.00 0.00 C ATOM 475 C GLU A 35 -10.403 3.381 -2.631 1.00 0.00 C ATOM 476 O GLU A 35 -11.070 3.945 -3.498 1.00 0.00 O ATOM 477 CB GLU A 35 -9.047 5.223 -1.616 1.00 0.00 C ATOM 478 CG GLU A 35 -8.924 6.227 -0.483 1.00 0.00 C ATOM 479 CD GLU A 35 -8.457 7.589 -0.958 1.00 0.00 C ATOM 480 OE1 GLU A 35 -9.226 8.261 -1.677 1.00 0.00 O ATOM 481 OE2 GLU A 35 -7.324 7.983 -0.611 1.00 0.00 O ATOM 0 H GLU A 35 -8.467 3.153 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.951 4.523 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.067 4.789 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.353 5.746 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.890 6.331 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.224 5.846 0.261 1.00 0.00 H new ATOM 488 N ASN A 36 -9.957 2.136 -2.758 1.00 0.00 N ATOM 489 CA ASN A 36 -10.231 1.343 -3.951 1.00 0.00 C ATOM 490 C ASN A 36 -9.451 1.877 -5.149 1.00 0.00 C ATOM 491 O ASN A 36 -9.946 1.877 -6.276 1.00 0.00 O ATOM 492 CB ASN A 36 -11.729 1.350 -4.260 1.00 0.00 C ATOM 493 CG ASN A 36 -12.141 0.194 -5.150 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.524 0.390 -6.304 1.00 0.00 O ATOM 495 ND2 ASN A 36 -12.065 -1.020 -4.617 1.00 0.00 N ATOM 0 H ASN A 36 -9.404 1.654 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.911 0.319 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.290 1.304 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.993 2.290 -4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.330 -1.836 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.742 -1.136 -3.656 1.00 0.00 H new ATOM 502 N LYS A 37 -8.227 2.329 -4.898 1.00 0.00 N ATOM 503 CA LYS A 37 -7.376 2.863 -5.954 1.00 0.00 C ATOM 504 C LYS A 37 -6.346 1.830 -6.398 1.00 0.00 C ATOM 505 O LYS A 37 -5.268 2.181 -6.876 1.00 0.00 O ATOM 506 CB LYS A 37 -6.667 4.132 -5.474 1.00 0.00 C ATOM 507 CG LYS A 37 -7.619 5.248 -5.078 1.00 0.00 C ATOM 508 CD LYS A 37 -8.195 5.947 -6.298 1.00 0.00 C ATOM 509 CE LYS A 37 -7.167 6.851 -6.960 1.00 0.00 C ATOM 510 NZ LYS A 37 -7.156 8.213 -6.357 1.00 0.00 N ATOM 0 H LYS A 37 -7.802 2.336 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.009 3.108 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.036 3.885 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.008 4.491 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.430 4.839 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.093 5.973 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.542 5.203 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.064 6.536 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.177 6.404 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.383 6.927 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.442 8.799 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.093 8.650 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.925 8.143 -5.345 1.00 0.00 H new ATOM 524 N GLN A 38 -6.687 0.555 -6.239 1.00 0.00 N ATOM 525 CA GLN A 38 -5.791 -0.529 -6.624 1.00 0.00 C ATOM 526 C GLN A 38 -5.178 -0.267 -7.996 1.00 0.00 C ATOM 527 O GLN A 38 -3.959 -0.186 -8.135 1.00 0.00 O ATOM 528 CB GLN A 38 -6.543 -1.861 -6.635 1.00 0.00 C ATOM 529 CG GLN A 38 -7.463 -2.050 -5.440 1.00 0.00 C ATOM 530 CD GLN A 38 -6.740 -1.899 -4.116 1.00 0.00 C ATOM 531 OE1 GLN A 38 -6.318 -0.678 -3.808 1.00 0.00 O flip ATOM 532 NE2 GLN A 38 -6.561 -2.869 -3.379 1.00 0.00 N flip ATOM 0 H GLN A 38 -7.577 0.248 -5.846 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.987 -0.580 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.131 -1.929 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.820 -2.677 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.273 -1.323 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.918 -3.039 -5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.902 -3.790 -3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.071 -2.752 -2.492 1.00 0.00 H new ATOM 541 N GLU A 39 -6.033 -0.135 -9.006 1.00 0.00 N ATOM 542 CA GLU A 39 -5.574 0.117 -10.366 1.00 0.00 C ATOM 543 C GLU A 39 -4.547 1.245 -10.394 1.00 0.00 C ATOM 544 O GLU A 39 -3.680 1.288 -11.267 1.00 0.00 O ATOM 545 CB GLU A 39 -6.758 0.468 -11.271 1.00 0.00 C ATOM 546 CG GLU A 39 -7.525 1.699 -10.819 1.00 0.00 C ATOM 547 CD GLU A 39 -8.603 1.375 -9.803 1.00 0.00 C ATOM 548 OE1 GLU A 39 -8.297 1.381 -8.592 1.00 0.00 O ATOM 549 OE2 GLU A 39 -9.751 1.116 -10.219 1.00 0.00 O ATOM 0 H GLU A 39 -7.046 -0.198 -8.907 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.100 -0.792 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.394 0.629 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.440 -0.381 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.829 2.418 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.980 2.177 -11.686 1.00 0.00 H new ATOM 556 N ASP A 40 -4.652 2.157 -9.433 1.00 0.00 N ATOM 557 CA ASP A 40 -3.733 3.285 -9.346 1.00 0.00 C ATOM 558 C ASP A 40 -2.444 2.883 -8.637 1.00 0.00 C ATOM 559 O ASP A 40 -1.360 3.357 -8.979 1.00 0.00 O ATOM 560 CB ASP A 40 -4.393 4.452 -8.609 1.00 0.00 C ATOM 561 CG ASP A 40 -3.554 5.714 -8.654 1.00 0.00 C ATOM 562 OD1 ASP A 40 -2.995 6.017 -9.729 1.00 0.00 O ATOM 563 OD2 ASP A 40 -3.456 6.398 -7.614 1.00 0.00 O ATOM 0 H ASP A 40 -5.365 2.137 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.485 3.599 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.369 4.652 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.566 4.171 -7.570 1.00 0.00 H new ATOM 568 N CYS A 41 -2.569 2.005 -7.647 1.00 0.00 N ATOM 569 CA CYS A 41 -1.415 1.539 -6.887 1.00 0.00 C ATOM 570 C CYS A 41 -0.622 0.506 -7.682 1.00 0.00 C ATOM 571 O CYS A 41 -0.827 -0.699 -7.535 1.00 0.00 O ATOM 572 CB CYS A 41 -1.864 0.938 -5.554 1.00 0.00 C ATOM 573 SG CYS A 41 -0.578 0.945 -4.264 1.00 0.00 S ATOM 0 H CYS A 41 -3.458 1.602 -7.352 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.770 2.396 -6.692 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.730 1.492 -5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.189 -0.089 -5.722 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.257 2.172 -3.978 1.00 0.00 H new ATOM 578 N VAL A 42 0.286 0.987 -8.526 1.00 0.00 N ATOM 579 CA VAL A 42 1.112 0.106 -9.344 1.00 0.00 C ATOM 580 C VAL A 42 2.446 -0.183 -8.665 1.00 0.00 C ATOM 581 O VAL A 42 2.747 0.364 -7.604 1.00 0.00 O ATOM 582 CB VAL A 42 1.377 0.716 -10.733 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.072 0.905 -11.491 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.123 2.035 -10.603 1.00 0.00 C ATOM 0 H VAL A 42 0.468 1.981 -8.661 1.00 0.00 H new ATOM 0 HA VAL A 42 0.559 -0.826 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 42 2.002 0.026 -11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.279 1.337 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.419 -0.060 -11.617 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.581 1.574 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.301 2.451 -11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.526 2.734 -10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.077 1.866 -10.103 1.00 0.00 H new ATOM 594 N VAL A 43 3.244 -1.047 -9.285 1.00 0.00 N ATOM 595 CA VAL A 43 4.547 -1.409 -8.742 1.00 0.00 C ATOM 596 C VAL A 43 5.666 -0.649 -9.446 1.00 0.00 C ATOM 597 O VAL A 43 5.835 -0.756 -10.660 1.00 0.00 O ATOM 598 CB VAL A 43 4.809 -2.921 -8.871 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.182 -3.275 -8.319 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.721 -3.712 -8.161 1.00 0.00 C ATOM 0 H VAL A 43 3.010 -1.509 -10.164 1.00 0.00 H new ATOM 0 HA VAL A 43 4.536 -1.139 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 43 4.789 -3.186 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.349 -4.348 -8.419 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.948 -2.735 -8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.234 -2.996 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.922 -4.779 -8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.707 -3.444 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.754 -3.481 -8.607 1.00 0.00 H new ATOM 610 N VAL A 44 6.429 0.119 -8.674 1.00 0.00 N ATOM 611 CA VAL A 44 7.534 0.896 -9.223 1.00 0.00 C ATOM 612 C VAL A 44 8.878 0.281 -8.850 1.00 0.00 C ATOM 613 O VAL A 44 9.273 0.290 -7.684 1.00 0.00 O ATOM 614 CB VAL A 44 7.494 2.354 -8.728 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.568 2.406 -7.210 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.624 3.159 -9.353 1.00 0.00 C ATOM 0 H VAL A 44 6.302 0.220 -7.667 1.00 0.00 H new ATOM 0 HA VAL A 44 7.421 0.884 -10.307 1.00 0.00 H new ATOM 0 HB VAL A 44 6.547 2.798 -9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.538 3.444 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.722 1.866 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.497 1.945 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.581 4.187 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.581 2.717 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.520 3.150 -10.438 1.00 0.00 H new ATOM 626 N TRP A 45 9.575 -0.252 -9.846 1.00 0.00 N ATOM 627 CA TRP A 45 10.876 -0.872 -9.622 1.00 0.00 C ATOM 628 C TRP A 45 11.984 0.176 -9.612 1.00 0.00 C ATOM 629 O TRP A 45 11.922 1.166 -10.340 1.00 0.00 O ATOM 630 CB TRP A 45 11.158 -1.919 -10.701 1.00 0.00 C ATOM 631 CG TRP A 45 10.227 -3.092 -10.647 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.398 -4.241 -9.928 1.00 0.00 C ATOM 633 CD2 TRP A 45 8.983 -3.232 -11.341 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.334 -5.086 -10.134 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.452 -4.491 -10.996 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.265 -2.417 -12.220 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.238 -4.950 -11.500 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.060 -2.874 -12.719 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.556 -4.131 -12.358 1.00 0.00 C ATOM 0 H TRP A 45 9.262 -0.268 -10.817 1.00 0.00 H new ATOM 0 HA TRP A 45 10.854 -1.361 -8.648 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.083 -1.449 -11.682 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.184 -2.273 -10.595 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.244 -4.454 -9.292 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.220 -6.008 -9.713 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.645 -1.447 -12.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.848 -5.919 -11.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.497 -2.252 -13.399 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.611 -4.459 -12.765 1.00 0.00 H new ATOM 650 N GLY A 46 12.998 -0.048 -8.781 1.00 0.00 N ATOM 651 CA GLY A 46 14.105 0.886 -8.693 1.00 0.00 C ATOM 652 C GLY A 46 15.401 0.300 -9.216 1.00 0.00 C ATOM 653 O GLY A 46 15.553 -0.919 -9.289 1.00 0.00 O ATOM 0 H GLY A 46 13.072 -0.860 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.863 1.786 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.240 1.188 -7.654 1.00 0.00 H new ATOM 657 N GLU A 47 16.337 1.170 -9.581 1.00 0.00 N ATOM 658 CA GLU A 47 17.626 0.730 -10.102 1.00 0.00 C ATOM 659 C GLU A 47 18.318 -0.211 -9.121 1.00 0.00 C ATOM 660 O GLU A 47 19.143 -1.037 -9.511 1.00 0.00 O ATOM 661 CB GLU A 47 18.524 1.936 -10.388 1.00 0.00 C ATOM 662 CG GLU A 47 18.282 2.567 -11.749 1.00 0.00 C ATOM 663 CD GLU A 47 19.022 1.852 -12.863 1.00 0.00 C ATOM 664 OE1 GLU A 47 19.073 0.605 -12.838 1.00 0.00 O ATOM 665 OE2 GLU A 47 19.549 2.542 -13.761 1.00 0.00 O ATOM 0 H GLU A 47 16.227 2.183 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 47 17.447 0.190 -11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.365 2.688 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.567 1.626 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.213 2.559 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.594 3.611 -11.722 1.00 0.00 H new ATOM 672 N CYS A 48 17.975 -0.080 -7.843 1.00 0.00 N ATOM 673 CA CYS A 48 18.562 -0.917 -6.804 1.00 0.00 C ATOM 674 C CYS A 48 17.858 -2.269 -6.731 1.00 0.00 C ATOM 675 O CYS A 48 18.016 -3.011 -5.764 1.00 0.00 O ATOM 676 CB CYS A 48 18.481 -0.214 -5.448 1.00 0.00 C ATOM 677 SG CYS A 48 16.794 0.271 -4.961 1.00 0.00 S ATOM 0 H CYS A 48 17.293 0.598 -7.503 1.00 0.00 H new ATOM 0 HA CYS A 48 19.609 -1.086 -7.057 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.893 -0.873 -4.684 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.110 0.676 -5.474 1.00 0.00 H new ATOM 0 HG CYS A 48 16.759 0.492 -3.680 1.00 0.00 H new ATOM 682 N ASN A 49 17.079 -2.580 -7.763 1.00 0.00 N ATOM 683 CA ASN A 49 16.350 -3.842 -7.816 1.00 0.00 C ATOM 684 C ASN A 49 15.345 -3.938 -6.672 1.00 0.00 C ATOM 685 O ASN A 49 15.211 -4.984 -6.035 1.00 0.00 O ATOM 686 CB ASN A 49 17.323 -5.020 -7.756 1.00 0.00 C ATOM 687 CG ASN A 49 17.779 -5.465 -9.132 1.00 0.00 C ATOM 688 OD1 ASN A 49 17.246 -6.421 -9.696 1.00 0.00 O ATOM 689 ND2 ASN A 49 18.769 -4.771 -9.680 1.00 0.00 N ATOM 0 H ASN A 49 16.937 -1.976 -8.573 1.00 0.00 H new ATOM 0 HA ASN A 49 15.804 -3.879 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.192 -4.739 -7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.845 -5.857 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 49 19.117 -5.023 -10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 49 19.181 -3.986 -9.176 1.00 0.00 H new ATOM 696 N HIS A 50 14.640 -2.840 -6.416 1.00 0.00 N ATOM 697 CA HIS A 50 13.646 -2.801 -5.349 1.00 0.00 C ATOM 698 C HIS A 50 12.329 -2.221 -5.855 1.00 0.00 C ATOM 699 O HIS A 50 12.301 -1.141 -6.445 1.00 0.00 O ATOM 700 CB HIS A 50 14.163 -1.973 -4.172 1.00 0.00 C ATOM 701 CG HIS A 50 15.198 -2.680 -3.352 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.027 -2.028 -2.463 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.533 -3.989 -3.287 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.830 -2.907 -1.889 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.550 -4.104 -2.371 1.00 0.00 N ATOM 0 H HIS A 50 14.739 -1.966 -6.933 1.00 0.00 H new ATOM 0 HA HIS A 50 13.468 -3.823 -5.014 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.585 -1.042 -4.551 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.324 -1.705 -3.530 1.00 0.00 H new ATOM 0 HD1 HIS A 50 16.021 -1.025 -2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.084 -4.794 -3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.587 -2.684 -1.151 1.00 0.00 H new ATOM 713 N SER A 51 11.240 -2.946 -5.621 1.00 0.00 N ATOM 714 CA SER A 51 9.920 -2.506 -6.057 1.00 0.00 C ATOM 715 C SER A 51 9.147 -1.879 -4.901 1.00 0.00 C ATOM 716 O SER A 51 9.231 -2.337 -3.761 1.00 0.00 O ATOM 717 CB SER A 51 9.131 -3.683 -6.633 1.00 0.00 C ATOM 718 OG SER A 51 9.058 -4.752 -5.705 1.00 0.00 O ATOM 0 H SER A 51 11.246 -3.841 -5.132 1.00 0.00 H new ATOM 0 HA SER A 51 10.054 -1.753 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.125 -3.356 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.605 -4.027 -7.552 1.00 0.00 H new ATOM 0 HG SER A 51 8.547 -5.491 -6.097 1.00 0.00 H new ATOM 724 N PHE A 52 8.394 -0.826 -5.202 1.00 0.00 N ATOM 725 CA PHE A 52 7.607 -0.133 -4.189 1.00 0.00 C ATOM 726 C PHE A 52 6.279 0.348 -4.767 1.00 0.00 C ATOM 727 O PHE A 52 5.974 0.107 -5.936 1.00 0.00 O ATOM 728 CB PHE A 52 8.391 1.054 -3.626 1.00 0.00 C ATOM 729 CG PHE A 52 9.668 0.658 -2.943 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.673 0.312 -1.601 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.864 0.632 -3.642 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.847 -0.051 -0.969 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.042 0.269 -3.015 1.00 0.00 C ATOM 734 CZ PHE A 52 12.033 -0.074 -1.678 1.00 0.00 C ATOM 0 H PHE A 52 8.312 -0.434 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 52 7.399 -0.837 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.621 1.745 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.761 1.592 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.749 0.326 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.876 0.898 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.838 -0.316 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.968 0.254 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.951 -0.360 -1.187 1.00 0.00 H new ATOM 744 N HIS A 53 5.492 1.029 -3.940 1.00 0.00 N ATOM 745 CA HIS A 53 4.197 1.544 -4.368 1.00 0.00 C ATOM 746 C HIS A 53 4.329 2.965 -4.909 1.00 0.00 C ATOM 747 O HIS A 53 4.538 3.911 -4.151 1.00 0.00 O ATOM 748 CB HIS A 53 3.205 1.520 -3.205 1.00 0.00 C ATOM 749 CG HIS A 53 2.801 0.138 -2.792 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.889 -0.315 -1.492 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.302 -0.892 -3.514 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.464 -1.564 -1.434 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.102 -1.938 -2.648 1.00 0.00 N ATOM 0 H HIS A 53 5.729 1.237 -2.970 1.00 0.00 H new ATOM 0 HA HIS A 53 3.825 0.902 -5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.647 2.031 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.314 2.082 -3.486 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.229 0.230 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.099 -0.891 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.420 -2.176 -0.545 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.734 -2.855 -2.901 1.00 0.00 H new ATOM 761 N ASN A 54 4.207 3.105 -6.225 1.00 0.00 N ATOM 762 CA ASN A 54 4.315 4.410 -6.868 1.00 0.00 C ATOM 763 C ASN A 54 3.768 5.509 -5.962 1.00 0.00 C ATOM 764 O ASN A 54 4.313 6.612 -5.907 1.00 0.00 O ATOM 765 CB ASN A 54 3.562 4.410 -8.200 1.00 0.00 C ATOM 766 CG ASN A 54 2.104 4.798 -8.040 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.259 3.816 -7.748 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.743 5.967 -8.176 1.00 0.00 N flip ATOM 0 H ASN A 54 4.033 2.331 -6.867 1.00 0.00 H new ATOM 0 HA ASN A 54 5.370 4.609 -7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.046 5.103 -8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.624 3.419 -8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.427 6.689 -8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.760 6.213 -8.064 1.00 0.00 H new ATOM 775 N CYS A 55 2.688 5.201 -5.252 1.00 0.00 N ATOM 776 CA CYS A 55 2.066 6.161 -4.348 1.00 0.00 C ATOM 777 C CYS A 55 2.933 6.385 -3.113 1.00 0.00 C ATOM 778 O CYS A 55 3.194 7.523 -2.722 1.00 0.00 O ATOM 779 CB CYS A 55 0.678 5.673 -3.929 1.00 0.00 C ATOM 780 SG CYS A 55 0.681 4.057 -3.087 1.00 0.00 S ATOM 0 H CYS A 55 2.225 4.293 -5.285 1.00 0.00 H new ATOM 0 HA CYS A 55 1.966 7.109 -4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.228 6.414 -3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.045 5.609 -4.814 1.00 0.00 H new ATOM 0 HG CYS A 55 1.201 4.186 -1.903 1.00 0.00 H new ATOM 785 N CYS A 56 3.378 5.292 -2.503 1.00 0.00 N ATOM 786 CA CYS A 56 4.216 5.367 -1.312 1.00 0.00 C ATOM 787 C CYS A 56 5.553 6.031 -1.629 1.00 0.00 C ATOM 788 O CYS A 56 6.086 6.793 -0.823 1.00 0.00 O ATOM 789 CB CYS A 56 4.451 3.968 -0.739 1.00 0.00 C ATOM 790 SG CYS A 56 2.941 3.150 -0.133 1.00 0.00 S ATOM 0 H CYS A 56 3.172 4.343 -2.814 1.00 0.00 H new ATOM 0 HA CYS A 56 3.696 5.973 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.906 3.344 -1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.167 4.038 0.080 1.00 0.00 H new ATOM 0 HG CYS A 56 3.261 2.052 0.485 1.00 0.00 H new ATOM 795 N MET A 57 6.089 5.735 -2.809 1.00 0.00 N ATOM 796 CA MET A 57 7.363 6.304 -3.233 1.00 0.00 C ATOM 797 C MET A 57 7.227 7.798 -3.506 1.00 0.00 C ATOM 798 O MET A 57 8.035 8.600 -3.039 1.00 0.00 O ATOM 799 CB MET A 57 7.874 5.588 -4.485 1.00 0.00 C ATOM 800 CG MET A 57 9.390 5.549 -4.587 1.00 0.00 C ATOM 801 SD MET A 57 10.110 4.152 -3.704 1.00 0.00 S ATOM 802 CE MET A 57 11.267 4.992 -2.626 1.00 0.00 C ATOM 0 H MET A 57 5.661 5.105 -3.488 1.00 0.00 H new ATOM 0 HA MET A 57 8.082 6.165 -2.425 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.491 4.567 -4.492 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.471 6.085 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.678 5.498 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.801 6.477 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.247 4.521 -2.706 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.343 6.039 -2.919 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.917 4.928 -1.596 1.00 0.00 H new ATOM 812 N SER A 58 6.201 8.165 -4.267 1.00 0.00 N ATOM 813 CA SER A 58 5.962 9.563 -4.606 1.00 0.00 C ATOM 814 C SER A 58 5.803 10.408 -3.346 1.00 0.00 C ATOM 815 O SER A 58 6.105 11.602 -3.343 1.00 0.00 O ATOM 816 CB SER A 58 4.713 9.691 -5.480 1.00 0.00 C ATOM 817 OG SER A 58 4.963 9.231 -6.797 1.00 0.00 O ATOM 0 H SER A 58 5.522 7.514 -4.661 1.00 0.00 H new ATOM 0 HA SER A 58 6.825 9.929 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.897 9.118 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.391 10.732 -5.510 1.00 0.00 H new ATOM 0 HG SER A 58 4.832 8.261 -6.835 1.00 0.00 H new ATOM 823 N LEU A 59 5.327 9.781 -2.276 1.00 0.00 N ATOM 824 CA LEU A 59 5.127 10.474 -1.008 1.00 0.00 C ATOM 825 C LEU A 59 6.342 10.310 -0.101 1.00 0.00 C ATOM 826 O LEU A 59 6.659 11.194 0.695 1.00 0.00 O ATOM 827 CB LEU A 59 3.877 9.943 -0.306 1.00 0.00 C ATOM 828 CG LEU A 59 2.577 10.005 -1.110 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.485 9.201 -0.422 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.138 11.449 -1.302 1.00 0.00 C ATOM 0 H LEU A 59 5.072 8.793 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 59 4.994 11.535 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.057 8.906 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.737 10.505 0.617 1.00 0.00 H new ATOM 0 HG LEU A 59 2.758 9.567 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.568 9.257 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.798 8.161 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.305 9.609 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.212 11.474 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.975 11.912 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.913 11.996 -1.839 1.00 0.00 H new ATOM 842 N TRP A 60 7.020 9.174 -0.228 1.00 0.00 N ATOM 843 CA TRP A 60 8.202 8.895 0.580 1.00 0.00 C ATOM 844 C TRP A 60 9.372 9.776 0.154 1.00 0.00 C ATOM 845 O TRP A 60 10.072 10.342 0.993 1.00 0.00 O ATOM 846 CB TRP A 60 8.589 7.420 0.462 1.00 0.00 C ATOM 847 CG TRP A 60 10.014 7.148 0.837 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.113 7.287 0.037 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.494 6.690 2.105 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.247 6.942 0.732 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.895 6.573 2.003 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.879 6.369 3.318 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.685 6.147 3.067 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.664 5.947 4.373 1.00 0.00 C ATOM 855 CH2 TRP A 60 12.056 5.840 4.243 1.00 0.00 C ATOM 0 H TRP A 60 6.771 8.432 -0.882 1.00 0.00 H new ATOM 0 HA TRP A 60 7.962 9.118 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 60 7.933 6.828 1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.421 7.089 -0.563 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.093 7.619 -0.990 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.197 6.958 0.361 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.808 6.450 3.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.757 6.062 2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.198 5.695 5.314 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.643 5.509 5.087 1.00 0.00 H new ATOM 866 N VAL A 61 9.578 9.888 -1.154 1.00 0.00 N ATOM 867 CA VAL A 61 10.662 10.701 -1.691 1.00 0.00 C ATOM 868 C VAL A 61 10.576 12.136 -1.183 1.00 0.00 C ATOM 869 O VAL A 61 11.587 12.831 -1.077 1.00 0.00 O ATOM 870 CB VAL A 61 10.647 10.712 -3.231 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.927 9.320 -3.777 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.316 11.238 -3.746 1.00 0.00 C ATOM 0 H VAL A 61 9.008 9.425 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 61 11.594 10.252 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 61 11.435 11.379 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.912 9.347 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.906 8.985 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.163 8.629 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.322 11.239 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.509 10.598 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.161 12.254 -3.383 1.00 0.00 H new ATOM 882 N LYS A 62 9.362 12.575 -0.868 1.00 0.00 N ATOM 883 CA LYS A 62 9.142 13.927 -0.369 1.00 0.00 C ATOM 884 C LYS A 62 9.954 14.178 0.898 1.00 0.00 C ATOM 885 O LYS A 62 10.568 15.234 1.052 1.00 0.00 O ATOM 886 CB LYS A 62 7.655 14.152 -0.086 1.00 0.00 C ATOM 887 CG LYS A 62 6.805 14.245 -1.342 1.00 0.00 C ATOM 888 CD LYS A 62 5.650 15.217 -1.163 1.00 0.00 C ATOM 889 CE LYS A 62 4.456 14.548 -0.500 1.00 0.00 C ATOM 890 NZ LYS A 62 3.335 15.504 -0.282 1.00 0.00 N ATOM 0 H LYS A 62 8.515 12.013 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 62 9.471 14.629 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.284 13.336 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.538 15.069 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.425 14.566 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.416 13.258 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.976 16.064 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.353 15.614 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.112 13.721 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.762 14.123 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.540 15.010 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.655 16.281 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.025 15.890 -1.197 1.00 0.00 H new ATOM 904 N GLN A 63 9.954 13.201 1.799 1.00 0.00 N ATOM 905 CA GLN A 63 10.693 13.318 3.051 1.00 0.00 C ATOM 906 C GLN A 63 12.097 12.739 2.911 1.00 0.00 C ATOM 907 O GLN A 63 13.071 13.331 3.373 1.00 0.00 O ATOM 908 CB GLN A 63 9.944 12.603 4.177 1.00 0.00 C ATOM 909 CG GLN A 63 8.554 13.163 4.435 1.00 0.00 C ATOM 910 CD GLN A 63 8.013 12.777 5.798 1.00 0.00 C ATOM 911 OE1 GLN A 63 7.045 12.024 5.903 1.00 0.00 O ATOM 912 NE2 GLN A 63 8.637 13.292 6.851 1.00 0.00 N ATOM 0 H GLN A 63 9.451 12.321 1.686 1.00 0.00 H new ATOM 0 HA GLN A 63 10.779 14.377 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.860 11.544 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.530 12.672 5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.584 14.250 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.873 12.805 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.436 13.912 6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.318 13.067 7.793 1.00 0.00 H new ATOM 921 N ASN A 64 12.192 11.579 2.270 1.00 0.00 N ATOM 922 CA ASN A 64 13.478 10.920 2.069 1.00 0.00 C ATOM 923 C ASN A 64 13.621 10.434 0.630 1.00 0.00 C ATOM 924 O ASN A 64 12.977 9.468 0.224 1.00 0.00 O ATOM 925 CB ASN A 64 13.626 9.742 3.034 1.00 0.00 C ATOM 926 CG ASN A 64 13.584 10.176 4.487 1.00 0.00 C ATOM 927 OD1 ASN A 64 12.515 10.445 5.035 1.00 0.00 O ATOM 928 ND2 ASN A 64 14.751 10.247 5.117 1.00 0.00 N ATOM 0 H ASN A 64 11.395 11.076 1.881 1.00 0.00 H new ATOM 0 HA ASN A 64 14.266 11.646 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.829 9.022 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.568 9.231 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.786 10.534 6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.612 10.015 4.623 1.00 0.00 H new ATOM 935 N ASN A 65 14.471 11.111 -0.135 1.00 0.00 N ATOM 936 CA ASN A 65 14.700 10.748 -1.529 1.00 0.00 C ATOM 937 C ASN A 65 15.703 9.603 -1.636 1.00 0.00 C ATOM 938 O ASN A 65 16.619 9.641 -2.457 1.00 0.00 O ATOM 939 CB ASN A 65 15.206 11.958 -2.316 1.00 0.00 C ATOM 940 CG ASN A 65 14.209 13.102 -2.323 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.210 13.010 -3.192 1.00 0.00 O flip ATOM 942 ND2 ASN A 65 14.337 14.055 -1.554 1.00 0.00 N flip ATOM 0 H ASN A 65 15.012 11.913 0.186 1.00 0.00 H new ATOM 0 HA ASN A 65 13.752 10.418 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.146 12.302 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.418 11.658 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.121 14.083 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.659 14.817 -1.568 1.00 0.00 H new ATOM 949 N ARG A 66 15.521 8.585 -0.801 1.00 0.00 N ATOM 950 CA ARG A 66 16.410 7.429 -0.801 1.00 0.00 C ATOM 951 C ARG A 66 15.636 6.149 -0.498 1.00 0.00 C ATOM 952 O ARG A 66 14.756 6.131 0.363 1.00 0.00 O ATOM 953 CB ARG A 66 17.526 7.618 0.228 1.00 0.00 C ATOM 954 CG ARG A 66 18.402 8.831 -0.040 1.00 0.00 C ATOM 955 CD ARG A 66 19.157 9.260 1.208 1.00 0.00 C ATOM 956 NE ARG A 66 19.587 10.654 1.136 1.00 0.00 N ATOM 957 CZ ARG A 66 20.541 11.087 0.319 1.00 0.00 C ATOM 958 NH1 ARG A 66 21.160 10.240 -0.491 1.00 0.00 N ATOM 959 NH2 ARG A 66 20.876 12.371 0.311 1.00 0.00 N ATOM 0 H ARG A 66 14.767 8.537 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 66 16.851 7.341 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.083 7.712 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.151 6.725 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.112 8.600 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.784 9.656 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.521 9.122 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.028 8.619 1.343 1.00 0.00 H new ATOM 0 HE ARG A 66 19.130 11.332 1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.904 9.253 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.892 10.576 -1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.401 13.026 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.608 12.703 -0.316 1.00 0.00 H new ATOM 973 N CYS A 67 15.970 5.079 -1.212 1.00 0.00 N ATOM 974 CA CYS A 67 15.308 3.795 -1.022 1.00 0.00 C ATOM 975 C CYS A 67 15.259 3.421 0.457 1.00 0.00 C ATOM 976 O CYS A 67 16.280 3.371 1.144 1.00 0.00 O ATOM 977 CB CYS A 67 16.031 2.702 -1.812 1.00 0.00 C ATOM 978 SG CYS A 67 15.139 1.115 -1.874 1.00 0.00 S ATOM 0 H CYS A 67 16.696 5.077 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 67 14.286 3.884 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.196 3.054 -2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 67 17.013 2.537 -1.369 1.00 0.00 H new ATOM 0 HG CYS A 67 13.883 1.333 -2.129 1.00 0.00 H new ATOM 983 N PRO A 68 14.045 3.153 0.959 1.00 0.00 N ATOM 984 CA PRO A 68 13.834 2.778 2.361 1.00 0.00 C ATOM 985 C PRO A 68 14.380 1.391 2.679 1.00 0.00 C ATOM 986 O PRO A 68 14.170 0.865 3.773 1.00 0.00 O ATOM 987 CB PRO A 68 12.310 2.799 2.507 1.00 0.00 C ATOM 988 CG PRO A 68 11.793 2.556 1.132 1.00 0.00 C ATOM 989 CD PRO A 68 12.785 3.193 0.198 1.00 0.00 C ATOM 0 HA PRO A 68 14.352 3.450 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.968 2.030 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.963 3.756 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.700 1.488 0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.802 2.992 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.864 2.643 -0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.500 4.214 -0.055 1.00 0.00 H new ATOM 997 N LEU A 69 15.083 0.802 1.718 1.00 0.00 N ATOM 998 CA LEU A 69 15.661 -0.525 1.896 1.00 0.00 C ATOM 999 C LEU A 69 17.185 -0.462 1.879 1.00 0.00 C ATOM 1000 O LEU A 69 17.851 -1.031 2.745 1.00 0.00 O ATOM 1001 CB LEU A 69 15.167 -1.470 0.799 1.00 0.00 C ATOM 1002 CG LEU A 69 13.722 -1.954 0.931 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.353 -2.858 -0.234 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.521 -2.677 2.255 1.00 0.00 C ATOM 0 H LEU A 69 15.266 1.223 0.807 1.00 0.00 H new ATOM 0 HA LEU A 69 15.342 -0.906 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.274 -0.967 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.821 -2.342 0.777 1.00 0.00 H new ATOM 0 HG LEU A 69 13.065 -1.085 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.322 -3.192 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.457 -2.307 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.016 -3.723 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.487 -3.014 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.188 -3.537 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.743 -1.998 3.078 1.00 0.00 H new ATOM 1016 N CYS A 70 17.733 0.235 0.889 1.00 0.00 N ATOM 1017 CA CYS A 70 19.178 0.375 0.759 1.00 0.00 C ATOM 1018 C CYS A 70 19.590 1.843 0.821 1.00 0.00 C ATOM 1019 O CYS A 70 20.702 2.202 0.434 1.00 0.00 O ATOM 1020 CB CYS A 70 19.656 -0.246 -0.555 1.00 0.00 C ATOM 1021 SG CYS A 70 18.813 0.403 -2.034 1.00 0.00 S ATOM 0 H CYS A 70 17.197 0.712 0.164 1.00 0.00 H new ATOM 0 HA CYS A 70 19.645 -0.151 1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.728 -0.075 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.508 -1.325 -0.510 1.00 0.00 H new ATOM 0 HG CYS A 70 17.538 0.500 -1.799 1.00 0.00 H new ATOM 1026 N GLN A 71 18.686 2.686 1.309 1.00 0.00 N ATOM 1027 CA GLN A 71 18.956 4.114 1.421 1.00 0.00 C ATOM 1028 C GLN A 71 19.922 4.572 0.333 1.00 0.00 C ATOM 1029 O GLN A 71 20.810 5.387 0.583 1.00 0.00 O ATOM 1030 CB GLN A 71 19.530 4.440 2.800 1.00 0.00 C ATOM 1031 CG GLN A 71 20.537 3.416 3.298 1.00 0.00 C ATOM 1032 CD GLN A 71 19.893 2.318 4.122 1.00 0.00 C ATOM 1033 OE1 GLN A 71 18.589 2.138 3.953 1.00 0.00 O flip ATOM 1034 NE2 GLN A 71 20.562 1.638 4.901 1.00 0.00 N flip ATOM 0 H GLN A 71 17.761 2.405 1.633 1.00 0.00 H new ATOM 0 HA GLN A 71 18.014 4.647 1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.008 5.419 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.712 4.511 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.050 2.972 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.295 3.919 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.562 1.811 4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.116 0.902 5.448 1.00 0.00 H new ATOM 1043 N GLN A 72 19.743 4.042 -0.872 1.00 0.00 N ATOM 1044 CA GLN A 72 20.601 4.396 -1.997 1.00 0.00 C ATOM 1045 C GLN A 72 19.852 5.267 -3.000 1.00 0.00 C ATOM 1046 O GLN A 72 18.625 5.219 -3.083 1.00 0.00 O ATOM 1047 CB GLN A 72 21.120 3.133 -2.687 1.00 0.00 C ATOM 1048 CG GLN A 72 22.338 2.526 -2.009 1.00 0.00 C ATOM 1049 CD GLN A 72 23.268 1.838 -2.988 1.00 0.00 C ATOM 1050 OE1 GLN A 72 23.115 0.651 -3.279 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.241 2.581 -3.502 1.00 0.00 N ATOM 0 H GLN A 72 19.012 3.366 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 72 21.447 4.964 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.322 2.391 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.371 3.371 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.885 3.309 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.011 1.807 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.331 3.561 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 72 24.899 2.172 -4.166 1.00 0.00 H new ATOM 1060 N ASP A 73 20.598 6.061 -3.759 1.00 0.00 N ATOM 1061 CA ASP A 73 20.004 6.943 -4.758 1.00 0.00 C ATOM 1062 C ASP A 73 18.817 6.270 -5.439 1.00 0.00 C ATOM 1063 O ASP A 73 18.989 5.399 -6.292 1.00 0.00 O ATOM 1064 CB ASP A 73 21.048 7.342 -5.802 1.00 0.00 C ATOM 1065 CG ASP A 73 20.558 8.446 -6.718 1.00 0.00 C ATOM 1066 OD1 ASP A 73 20.200 9.527 -6.206 1.00 0.00 O ATOM 1067 OD2 ASP A 73 20.533 8.228 -7.948 1.00 0.00 O ATOM 0 H ASP A 73 21.615 6.113 -3.702 1.00 0.00 H new ATOM 0 HA ASP A 73 19.648 7.840 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.956 7.670 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.313 6.469 -6.399 1.00 0.00 H new ATOM 1072 N TRP A 74 17.613 6.679 -5.056 1.00 0.00 N ATOM 1073 CA TRP A 74 16.396 6.115 -5.630 1.00 0.00 C ATOM 1074 C TRP A 74 16.236 6.534 -7.087 1.00 0.00 C ATOM 1075 O TRP A 74 16.269 7.722 -7.408 1.00 0.00 O ATOM 1076 CB TRP A 74 15.174 6.556 -4.822 1.00 0.00 C ATOM 1077 CG TRP A 74 13.872 6.168 -5.454 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.927 7.009 -5.966 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.372 4.839 -5.638 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.868 6.284 -6.458 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.118 4.950 -6.269 1.00 0.00 C ATOM 1082 CE3 TRP A 74 13.862 3.566 -5.333 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.349 3.837 -6.599 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.098 2.462 -5.660 1.00 0.00 C ATOM 1085 CH2 TRP A 74 11.853 2.603 -6.288 1.00 0.00 C ATOM 0 H TRP A 74 17.453 7.399 -4.351 1.00 0.00 H new ATOM 0 HA TRP A 74 16.476 5.029 -5.591 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.230 6.119 -3.825 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.201 7.639 -4.698 1.00 0.00 H new ATOM 0 HD1 TRP A 74 13.001 8.086 -5.982 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.032 6.675 -6.893 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.821 3.447 -4.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.389 3.944 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.466 1.474 -5.428 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.280 1.721 -6.531 1.00 0.00 H new ATOM 1096 N VAL A 75 16.062 5.551 -7.965 1.00 0.00 N ATOM 1097 CA VAL A 75 15.895 5.819 -9.389 1.00 0.00 C ATOM 1098 C VAL A 75 14.813 4.930 -9.992 1.00 0.00 C ATOM 1099 O VAL A 75 14.992 3.720 -10.126 1.00 0.00 O ATOM 1100 CB VAL A 75 17.211 5.601 -10.159 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.014 5.875 -11.642 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.314 6.480 -9.587 1.00 0.00 C ATOM 0 H VAL A 75 16.033 4.562 -7.716 1.00 0.00 H new ATOM 0 HA VAL A 75 15.597 6.863 -9.482 1.00 0.00 H new ATOM 0 HB VAL A 75 17.511 4.560 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 75 17.954 5.716 -12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.256 5.200 -12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.690 6.906 -11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.237 6.313 -10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.024 7.528 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.472 6.229 -8.538 1.00 0.00 H new ATOM 1112 N VAL A 76 13.689 5.540 -10.355 1.00 0.00 N ATOM 1113 CA VAL A 76 12.577 4.805 -10.946 1.00 0.00 C ATOM 1114 C VAL A 76 13.016 4.061 -12.202 1.00 0.00 C ATOM 1115 O VAL A 76 13.229 4.668 -13.251 1.00 0.00 O ATOM 1116 CB VAL A 76 11.408 5.743 -11.300 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.282 4.967 -11.965 1.00 0.00 C ATOM 1118 CG2 VAL A 76 10.908 6.463 -10.056 1.00 0.00 C ATOM 0 H VAL A 76 13.525 6.541 -10.250 1.00 0.00 H new ATOM 0 HA VAL A 76 12.241 4.085 -10.199 1.00 0.00 H new ATOM 0 HB VAL A 76 11.767 6.491 -12.006 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.465 5.647 -12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.651 4.502 -12.879 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.921 4.195 -11.285 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.082 7.122 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.566 5.731 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.718 7.053 -9.627 1.00 0.00 H new ATOM 1128 N GLN A 77 13.148 2.744 -12.088 1.00 0.00 N ATOM 1129 CA GLN A 77 13.562 1.917 -13.215 1.00 0.00 C ATOM 1130 C GLN A 77 12.362 1.522 -14.070 1.00 0.00 C ATOM 1131 O GLN A 77 12.297 1.849 -15.255 1.00 0.00 O ATOM 1132 CB GLN A 77 14.285 0.664 -12.718 1.00 0.00 C ATOM 1133 CG GLN A 77 14.639 -0.314 -13.827 1.00 0.00 C ATOM 1134 CD GLN A 77 15.814 -1.202 -13.468 1.00 0.00 C ATOM 1135 OE1 GLN A 77 16.871 -1.137 -14.096 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.635 -2.039 -12.453 1.00 0.00 N ATOM 0 H GLN A 77 12.974 2.226 -11.226 1.00 0.00 H new ATOM 0 HA GLN A 77 14.246 2.502 -13.830 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.198 0.962 -12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.656 0.158 -11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.772 -0.937 -14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.872 0.241 -14.735 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.742 -2.060 -11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.390 -2.661 -12.166 1.00 0.00 H new ATOM 1145 N ARG A 78 11.415 0.816 -13.460 1.00 0.00 N ATOM 1146 CA ARG A 78 10.218 0.374 -14.166 1.00 0.00 C ATOM 1147 C ARG A 78 8.961 0.718 -13.372 1.00 0.00 C ATOM 1148 O ARG A 78 9.026 0.978 -12.170 1.00 0.00 O ATOM 1149 CB ARG A 78 10.277 -1.133 -14.420 1.00 0.00 C ATOM 1150 CG ARG A 78 10.964 -1.504 -15.724 1.00 0.00 C ATOM 1151 CD ARG A 78 9.986 -1.507 -16.888 1.00 0.00 C ATOM 1152 NE ARG A 78 9.645 -0.154 -17.320 1.00 0.00 N ATOM 1153 CZ ARG A 78 10.375 0.549 -18.179 1.00 0.00 C ATOM 1154 NH1 ARG A 78 11.480 0.029 -18.696 1.00 0.00 N ATOM 1155 NH2 ARG A 78 10.000 1.774 -18.523 1.00 0.00 N ATOM 0 H ARG A 78 11.453 0.538 -12.479 1.00 0.00 H new ATOM 0 HA ARG A 78 10.177 0.895 -15.122 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.802 -1.612 -13.593 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.263 -1.532 -14.427 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.769 -0.798 -15.926 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.421 -2.489 -15.628 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.419 -2.056 -17.724 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.078 -2.034 -16.597 1.00 0.00 H new ATOM 0 HE ARG A 78 8.800 0.274 -16.941 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.771 -0.913 -18.434 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.039 0.571 -19.355 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.150 2.177 -18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.561 2.313 -19.183 1.00 0.00 H new ATOM 1169 N ILE A 79 7.820 0.718 -14.052 1.00 0.00 N ATOM 1170 CA ILE A 79 6.549 1.029 -13.411 1.00 0.00 C ATOM 1171 C ILE A 79 5.415 0.201 -14.005 1.00 0.00 C ATOM 1172 O ILE A 79 5.302 0.068 -15.223 1.00 0.00 O ATOM 1173 CB ILE A 79 6.202 2.524 -13.544 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.283 3.382 -12.885 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.841 2.809 -12.926 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.253 4.831 -13.319 1.00 0.00 C ATOM 0 H ILE A 79 7.750 0.506 -15.047 1.00 0.00 H new ATOM 0 HA ILE A 79 6.661 0.782 -12.355 1.00 0.00 H new ATOM 0 HB ILE A 79 6.159 2.779 -14.603 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.165 3.333 -11.803 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.261 2.962 -13.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.610 3.869 -13.028 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.079 2.221 -13.437 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.858 2.541 -11.870 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.047 5.379 -12.812 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.402 4.891 -14.397 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.288 5.268 -13.061 1.00 0.00 H new ATOM 1188 N GLY A 80 4.576 -0.354 -13.136 1.00 0.00 N ATOM 1189 CA GLY A 80 3.461 -1.162 -13.593 1.00 0.00 C ATOM 1190 C GLY A 80 3.312 -2.447 -12.803 1.00 0.00 C ATOM 1191 O GLY A 80 4.181 -2.798 -12.005 1.00 0.00 O ATOM 0 H GLY A 80 4.649 -0.258 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.541 -0.583 -13.515 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.598 -1.402 -14.647 1.00 0.00 H new ATOM 1195 N LYS A 81 2.207 -3.150 -13.023 1.00 0.00 N ATOM 1196 CA LYS A 81 1.945 -4.404 -12.325 1.00 0.00 C ATOM 1197 C LYS A 81 2.285 -5.600 -13.209 1.00 0.00 C ATOM 1198 O LYS A 81 1.453 -6.004 -14.019 1.00 0.00 O ATOM 1199 CB LYS A 81 0.479 -4.475 -11.894 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.495 -4.048 -12.978 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.806 -2.563 -12.894 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.864 -2.273 -11.839 1.00 0.00 C ATOM 1203 NZ LYS A 81 -3.190 -2.836 -12.215 1.00 0.00 N ATOM 0 H LYS A 81 1.477 -2.873 -13.680 1.00 0.00 H new ATOM 0 HA LYS A 81 2.579 -4.437 -11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.247 -5.496 -11.591 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.335 -3.842 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.075 -4.278 -13.957 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.418 -4.620 -12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.105 -2.012 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.152 -2.207 -13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.549 -2.693 -10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.953 -1.196 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.943 -2.192 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.240 -2.946 -13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.315 -3.763 -11.761 1.00 0.00 H new