USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 366 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 29 GLN : amide:sc= -1.18! C(o=-1.9!,f=-7!) USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= -0.725 F(o=-2.5,f=-1.9) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.22 K(o=-10,f=-11) USER MOD Set 2.2: A 31 CYS SG : rot 117:sc= -0.0877 USER MOD Set 2.3: A 34 CYS SG : rot -106:sc= -3.6! USER MOD Set 2.4: A 55 CYS SG : rot 154:sc= 1.1 USER MOD Set 2.5: A 57 HIS : no HD1:sc= -3.14! C(o=-10!,f=-11!) USER MOD Set 2.6: A 58 CYS SG : rot -57:sc= -4.54 USER MOD Set 3.1: A 18 CYS SG : rot -137:sc= 0.339 USER MOD Set 3.2: A 21 CYS SG : rot -43:sc= -1.93 USER MOD Set 3.3: A 39 HIS : no HE2:sc= -1.13! C(o=-4.2!,f=-12!) USER MOD Set 3.4: A 42 CYS SG : rot 70:sc= -1.46 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.671 K(o=-0.67,f=-3.4!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.569 USER MOD Single : A 33 THR OG1 : rot 170:sc= 0 USER MOD Single : A 38 MET CE :methyl -172:sc= -2.06! (180deg=-2.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N ILE A 17 -11.738 -4.801 1.588 1.00 0.00 N ATOM 215 CA ILE A 17 -11.283 -4.506 2.941 1.00 0.00 C ATOM 216 C ILE A 17 -9.767 -4.347 2.990 1.00 0.00 C ATOM 217 O ILE A 17 -9.035 -5.071 2.315 1.00 0.00 O ATOM 218 CB ILE A 17 -11.705 -5.608 3.931 1.00 0.00 C ATOM 219 CG1 ILE A 17 -13.220 -5.812 3.885 1.00 0.00 C ATOM 220 CG2 ILE A 17 -11.254 -5.255 5.340 1.00 0.00 C ATOM 221 CD1 ILE A 17 -14.008 -4.560 4.198 1.00 0.00 C ATOM 0 HA ILE A 17 -11.754 -3.567 3.233 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.223 -6.542 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.500 -6.170 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.495 -6.592 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.560 -6.043 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.169 -5.156 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.710 -4.312 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.075 -4.779 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.756 -4.213 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.762 -3.784 3.473 1.00 0.00 H new ATOM 233 N CYS A 18 -9.302 -3.397 3.793 1.00 0.00 N ATOM 234 CA CYS A 18 -7.873 -3.143 3.932 1.00 0.00 C ATOM 235 C CYS A 18 -7.154 -4.372 4.480 1.00 0.00 C ATOM 236 O CYS A 18 -7.783 -5.293 4.999 1.00 0.00 O ATOM 237 CB CYS A 18 -7.634 -1.945 4.853 1.00 0.00 C ATOM 238 SG CYS A 18 -5.946 -1.266 4.766 1.00 0.00 S ATOM 0 H CYS A 18 -9.895 -2.789 4.358 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.471 -2.919 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.344 -1.158 4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.842 -2.243 5.881 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.523 -1.000 5.966 1.00 0.00 H new ATOM 243 N ASN A 19 -5.830 -4.378 4.360 1.00 0.00 N ATOM 244 CA ASN A 19 -5.024 -5.493 4.843 1.00 0.00 C ATOM 245 C ASN A 19 -4.222 -5.091 6.076 1.00 0.00 C ATOM 246 O ASN A 19 -3.611 -5.934 6.735 1.00 0.00 O ATOM 247 CB ASN A 19 -4.078 -5.980 3.742 1.00 0.00 C ATOM 248 CG ASN A 19 -3.628 -7.412 3.959 1.00 0.00 C ATOM 249 OD1 ASN A 19 -2.784 -7.687 4.811 1.00 0.00 O ATOM 250 ND2 ASN A 19 -4.192 -8.332 3.185 1.00 0.00 N ATOM 0 H ASN A 19 -5.293 -3.623 3.933 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.699 -6.304 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.577 -5.901 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.204 -5.329 3.703 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.929 -9.313 3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.888 -8.058 2.491 1.00 0.00 H new ATOM 257 N ILE A 20 -4.228 -3.798 6.384 1.00 0.00 N ATOM 258 CA ILE A 20 -3.503 -3.285 7.539 1.00 0.00 C ATOM 259 C ILE A 20 -4.445 -3.029 8.710 1.00 0.00 C ATOM 260 O ILE A 20 -4.178 -3.443 9.839 1.00 0.00 O ATOM 261 CB ILE A 20 -2.757 -1.981 7.201 1.00 0.00 C ATOM 262 CG1 ILE A 20 -1.758 -2.218 6.066 1.00 0.00 C ATOM 263 CG2 ILE A 20 -2.047 -1.442 8.434 1.00 0.00 C ATOM 264 CD1 ILE A 20 -0.665 -3.203 6.419 1.00 0.00 C ATOM 0 H ILE A 20 -4.727 -3.087 5.849 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.777 -4.048 7.820 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.484 -1.239 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.295 -2.582 5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.303 -1.267 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.524 -0.520 8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.779 -1.240 9.216 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.328 -2.179 8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.006 -3.322 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.103 -2.831 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.110 -4.166 6.668 1.00 0.00 H new ATOM 276 N CYS A 21 -5.551 -2.345 8.435 1.00 0.00 N ATOM 277 CA CYS A 21 -6.535 -2.034 9.464 1.00 0.00 C ATOM 278 C CYS A 21 -7.827 -2.814 9.235 1.00 0.00 C ATOM 279 O CYS A 21 -8.789 -2.679 9.992 1.00 0.00 O ATOM 280 CB CYS A 21 -6.829 -0.533 9.482 1.00 0.00 C ATOM 281 SG CYS A 21 -7.653 0.082 7.978 1.00 0.00 S ATOM 0 H CYS A 21 -5.788 -1.995 7.507 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.120 -2.327 10.428 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.455 -0.307 10.345 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.893 0.008 9.617 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.090 -0.441 6.930 1.00 0.00 H new ATOM 286 N HIS A 22 -7.841 -3.629 8.185 1.00 0.00 N ATOM 287 CA HIS A 22 -9.014 -4.431 7.856 1.00 0.00 C ATOM 288 C HIS A 22 -10.274 -3.572 7.848 1.00 0.00 C ATOM 289 O HIS A 22 -11.347 -4.024 8.248 1.00 0.00 O ATOM 290 CB HIS A 22 -9.170 -5.578 8.855 1.00 0.00 C ATOM 291 CG HIS A 22 -7.958 -6.452 8.959 1.00 0.00 C ATOM 292 ND1 HIS A 22 -7.239 -6.605 10.126 1.00 0.00 N ATOM 293 CD2 HIS A 22 -7.340 -7.222 8.034 1.00 0.00 C ATOM 294 CE1 HIS A 22 -6.230 -7.430 9.913 1.00 0.00 C ATOM 295 NE2 HIS A 22 -6.269 -7.820 8.652 1.00 0.00 N ATOM 0 H HIS A 22 -7.054 -3.751 7.548 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.872 -4.846 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.395 -5.164 9.838 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.024 -6.189 8.563 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.634 -7.344 7.002 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.497 -7.734 10.646 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.611 -8.461 8.209 1.00 0.00 H new ATOM 303 N SER A 23 -10.137 -2.332 7.390 1.00 0.00 N ATOM 304 CA SER A 23 -11.264 -1.408 7.334 1.00 0.00 C ATOM 305 C SER A 23 -11.746 -1.226 5.899 1.00 0.00 C ATOM 306 O SER A 23 -10.999 -1.456 4.946 1.00 0.00 O ATOM 307 CB SER A 23 -10.871 -0.054 7.928 1.00 0.00 C ATOM 308 OG SER A 23 -11.993 0.600 8.494 1.00 0.00 O ATOM 0 H SER A 23 -9.256 -1.944 7.052 1.00 0.00 H new ATOM 0 HA SER A 23 -12.079 -1.831 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.106 -0.197 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.434 0.574 7.152 1.00 0.00 H new ATOM 0 HG SER A 23 -11.715 1.462 8.868 1.00 0.00 H new ATOM 314 N LEU A 24 -12.999 -0.810 5.750 1.00 0.00 N ATOM 315 CA LEU A 24 -13.583 -0.596 4.431 1.00 0.00 C ATOM 316 C LEU A 24 -12.957 0.616 3.749 1.00 0.00 C ATOM 317 O LEU A 24 -12.907 1.706 4.320 1.00 0.00 O ATOM 318 CB LEU A 24 -15.096 -0.406 4.546 1.00 0.00 C ATOM 319 CG LEU A 24 -15.901 -0.632 3.266 1.00 0.00 C ATOM 320 CD1 LEU A 24 -15.482 0.358 2.190 1.00 0.00 C ATOM 321 CD2 LEU A 24 -15.728 -2.062 2.773 1.00 0.00 C ATOM 0 H LEU A 24 -13.630 -0.614 6.527 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.379 -1.478 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.470 -1.086 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.289 0.607 4.898 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.955 -0.470 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.066 0.182 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.657 1.374 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.423 0.228 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.308 -2.205 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.675 -2.251 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.078 -2.755 3.538 1.00 0.00 H new ATOM 333 N LEU A 25 -12.484 0.420 2.523 1.00 0.00 N ATOM 334 CA LEU A 25 -11.863 1.498 1.761 1.00 0.00 C ATOM 335 C LEU A 25 -12.622 1.754 0.463 1.00 0.00 C ATOM 336 O LEU A 25 -13.419 0.924 0.024 1.00 0.00 O ATOM 337 CB LEU A 25 -10.404 1.157 1.453 1.00 0.00 C ATOM 338 CG LEU A 25 -10.108 -0.311 1.148 1.00 0.00 C ATOM 339 CD1 LEU A 25 -10.524 -0.655 -0.274 1.00 0.00 C ATOM 340 CD2 LEU A 25 -8.632 -0.614 1.361 1.00 0.00 C ATOM 0 H LEU A 25 -12.519 -0.475 2.035 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.898 2.404 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.084 1.756 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.793 1.461 2.303 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.688 -0.928 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.306 -1.704 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.593 -0.478 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.972 -0.030 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.440 -1.664 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.033 0.012 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.364 -0.407 2.397 1.00 0.00 H new ATOM 352 N ILE A 26 -12.368 2.907 -0.147 1.00 0.00 N ATOM 353 CA ILE A 26 -13.024 3.270 -1.397 1.00 0.00 C ATOM 354 C ILE A 26 -12.003 3.631 -2.470 1.00 0.00 C ATOM 355 O ILE A 26 -12.250 3.449 -3.662 1.00 0.00 O ATOM 356 CB ILE A 26 -13.988 4.455 -1.202 1.00 0.00 C ATOM 357 CG1 ILE A 26 -13.245 5.653 -0.608 1.00 0.00 C ATOM 358 CG2 ILE A 26 -15.152 4.051 -0.310 1.00 0.00 C ATOM 359 CD1 ILE A 26 -14.024 6.947 -0.687 1.00 0.00 C ATOM 0 H ILE A 26 -11.713 3.605 0.204 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.593 2.398 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.385 4.744 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -13.010 5.443 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.296 5.777 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -15.824 4.900 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.694 3.225 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.773 3.738 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.436 7.753 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.237 7.180 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.961 6.841 -0.140 1.00 0.00 H new ATOM 371 N GLN A 27 -10.854 4.141 -2.038 1.00 0.00 N ATOM 372 CA GLN A 27 -9.795 4.526 -2.963 1.00 0.00 C ATOM 373 C GLN A 27 -8.424 4.394 -2.306 1.00 0.00 C ATOM 374 O GLN A 27 -8.143 5.040 -1.299 1.00 0.00 O ATOM 375 CB GLN A 27 -10.006 5.963 -3.444 1.00 0.00 C ATOM 376 CG GLN A 27 -9.091 6.361 -4.591 1.00 0.00 C ATOM 377 CD GLN A 27 -7.766 6.923 -4.113 1.00 0.00 C ATOM 378 OE1 GLN A 27 -7.601 7.235 -2.933 1.00 0.00 O ATOM 379 NE2 GLN A 27 -6.814 7.054 -5.029 1.00 0.00 N ATOM 0 H GLN A 27 -10.633 4.297 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.834 3.854 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.043 6.084 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.845 6.644 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.906 5.491 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.594 7.103 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.995 6.783 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.901 7.426 -4.766 1.00 0.00 H new ATOM 388 N GLY A 28 -7.575 3.550 -2.885 1.00 0.00 N ATOM 389 CA GLY A 28 -6.245 3.347 -2.342 1.00 0.00 C ATOM 390 C GLY A 28 -5.364 2.522 -3.259 1.00 0.00 C ATOM 391 O GLY A 28 -5.465 2.622 -4.481 1.00 0.00 O ATOM 0 H GLY A 28 -7.785 3.003 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.776 4.315 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.323 2.851 -1.375 1.00 0.00 H new ATOM 395 N GLN A 29 -4.496 1.707 -2.668 1.00 0.00 N ATOM 396 CA GLN A 29 -3.592 0.864 -3.441 1.00 0.00 C ATOM 397 C GLN A 29 -4.040 -0.594 -3.402 1.00 0.00 C ATOM 398 O GLN A 29 -4.783 -1.001 -2.510 1.00 0.00 O ATOM 399 CB GLN A 29 -2.164 0.986 -2.906 1.00 0.00 C ATOM 400 CG GLN A 29 -1.657 2.418 -2.847 1.00 0.00 C ATOM 401 CD GLN A 29 -0.159 2.516 -3.058 1.00 0.00 C ATOM 402 OE1 GLN A 29 0.588 1.596 -2.724 1.00 0.00 O ATOM 403 NE2 GLN A 29 0.289 3.634 -3.616 1.00 0.00 N ATOM 0 H GLN A 29 -4.400 1.613 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.615 1.204 -4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.121 0.553 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.497 0.399 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.167 3.011 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.913 2.850 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.366 4.371 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.288 3.756 -3.783 1.00 0.00 H new ATOM 412 N SER A 30 -3.582 -1.374 -4.375 1.00 0.00 N ATOM 413 CA SER A 30 -3.938 -2.786 -4.454 1.00 0.00 C ATOM 414 C SER A 30 -2.772 -3.612 -4.988 1.00 0.00 C ATOM 415 O SER A 30 -1.888 -3.092 -5.670 1.00 0.00 O ATOM 416 CB SER A 30 -5.164 -2.975 -5.350 1.00 0.00 C ATOM 417 OG SER A 30 -6.268 -2.229 -4.867 1.00 0.00 O ATOM 0 H SER A 30 -2.964 -1.053 -5.120 1.00 0.00 H new ATOM 0 HA SER A 30 -4.175 -3.132 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.927 -2.663 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.427 -4.032 -5.394 1.00 0.00 H new ATOM 0 HG SER A 30 -7.038 -2.365 -5.457 1.00 0.00 H new ATOM 423 N CYS A 31 -2.777 -4.903 -4.674 1.00 0.00 N ATOM 424 CA CYS A 31 -1.720 -5.803 -5.121 1.00 0.00 C ATOM 425 C CYS A 31 -2.181 -6.631 -6.318 1.00 0.00 C ATOM 426 O CYS A 31 -3.267 -7.208 -6.304 1.00 0.00 O ATOM 427 CB CYS A 31 -1.294 -6.730 -3.980 1.00 0.00 C ATOM 428 SG CYS A 31 0.126 -7.797 -4.381 1.00 0.00 S ATOM 0 H CYS A 31 -3.501 -5.350 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.867 -5.198 -5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.046 -6.125 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.140 -7.358 -3.701 1.00 0.00 H new ATOM 0 HG CYS A 31 1.123 -7.505 -3.599 1.00 0.00 H new ATOM 433 N GLU A 32 -1.346 -6.683 -7.351 1.00 0.00 N ATOM 434 CA GLU A 32 -1.668 -7.439 -8.555 1.00 0.00 C ATOM 435 C GLU A 32 -1.334 -8.917 -8.375 1.00 0.00 C ATOM 436 O GLU A 32 -1.789 -9.766 -9.142 1.00 0.00 O ATOM 437 CB GLU A 32 -0.906 -6.876 -9.757 1.00 0.00 C ATOM 438 CG GLU A 32 -1.217 -5.417 -10.045 1.00 0.00 C ATOM 439 CD GLU A 32 -0.505 -4.902 -11.282 1.00 0.00 C ATOM 440 OE1 GLU A 32 0.741 -4.829 -11.262 1.00 0.00 O ATOM 441 OE2 GLU A 32 -1.196 -4.572 -12.269 1.00 0.00 O ATOM 0 H GLU A 32 -0.442 -6.211 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.739 -7.345 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.164 -6.983 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.145 -7.471 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.293 -5.297 -10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.929 -4.811 -9.186 1.00 0.00 H new ATOM 448 N THR A 33 -0.536 -9.218 -7.355 1.00 0.00 N ATOM 449 CA THR A 33 -0.140 -10.592 -7.074 1.00 0.00 C ATOM 450 C THR A 33 -1.307 -11.398 -6.517 1.00 0.00 C ATOM 451 O THR A 33 -1.829 -12.294 -7.180 1.00 0.00 O ATOM 452 CB THR A 33 1.031 -10.645 -6.074 1.00 0.00 C ATOM 453 OG1 THR A 33 2.142 -9.897 -6.579 1.00 0.00 O ATOM 454 CG2 THR A 33 1.456 -12.083 -5.816 1.00 0.00 C ATOM 0 H THR A 33 -0.151 -8.528 -6.710 1.00 0.00 H new ATOM 0 HA THR A 33 0.180 -11.029 -8.020 1.00 0.00 H new ATOM 0 HB THR A 33 0.697 -10.206 -5.134 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.818 -9.800 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.284 -12.096 -5.107 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.616 -12.642 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.773 -12.542 -6.752 1.00 0.00 H new ATOM 462 N CYS A 34 -1.714 -11.073 -5.294 1.00 0.00 N ATOM 463 CA CYS A 34 -2.821 -11.767 -4.646 1.00 0.00 C ATOM 464 C CYS A 34 -4.153 -11.107 -4.992 1.00 0.00 C ATOM 465 O CYS A 34 -5.112 -11.780 -5.368 1.00 0.00 O ATOM 466 CB CYS A 34 -2.624 -11.780 -3.129 1.00 0.00 C ATOM 467 SG CYS A 34 -2.352 -10.132 -2.400 1.00 0.00 S ATOM 0 H CYS A 34 -1.294 -10.333 -4.732 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.838 -12.794 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.500 -12.231 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.772 -12.417 -2.889 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.100 -10.003 -2.074 1.00 0.00 H new ATOM 472 N GLY A 35 -4.204 -9.785 -4.861 1.00 0.00 N ATOM 473 CA GLY A 35 -5.422 -9.056 -5.163 1.00 0.00 C ATOM 474 C GLY A 35 -6.010 -8.378 -3.942 1.00 0.00 C ATOM 475 O GLY A 35 -7.230 -8.305 -3.792 1.00 0.00 O ATOM 0 H GLY A 35 -3.424 -9.206 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.213 -8.306 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.157 -9.742 -5.583 1.00 0.00 H new ATOM 479 N ILE A 36 -5.142 -7.883 -3.066 1.00 0.00 N ATOM 480 CA ILE A 36 -5.583 -7.209 -1.851 1.00 0.00 C ATOM 481 C ILE A 36 -5.482 -5.694 -1.995 1.00 0.00 C ATOM 482 O ILE A 36 -4.758 -5.190 -2.854 1.00 0.00 O ATOM 483 CB ILE A 36 -4.758 -7.654 -0.629 1.00 0.00 C ATOM 484 CG1 ILE A 36 -3.285 -7.288 -0.821 1.00 0.00 C ATOM 485 CG2 ILE A 36 -4.912 -9.150 -0.402 1.00 0.00 C ATOM 486 CD1 ILE A 36 -2.917 -5.941 -0.240 1.00 0.00 C ATOM 0 H ILE A 36 -4.129 -7.936 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.625 -7.488 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.131 -7.132 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.665 -8.056 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.054 -7.291 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.323 -9.449 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.962 -9.385 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.562 -9.689 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.858 -5.747 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.511 -5.163 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.116 -5.940 0.832 1.00 0.00 H new ATOM 498 N ARG A 37 -6.210 -4.975 -1.148 1.00 0.00 N ATOM 499 CA ARG A 37 -6.201 -3.517 -1.180 1.00 0.00 C ATOM 500 C ARG A 37 -5.776 -2.946 0.169 1.00 0.00 C ATOM 501 O ARG A 37 -5.977 -3.572 1.210 1.00 0.00 O ATOM 502 CB ARG A 37 -7.585 -2.986 -1.558 1.00 0.00 C ATOM 503 CG ARG A 37 -8.166 -3.632 -2.805 1.00 0.00 C ATOM 504 CD ARG A 37 -9.280 -2.787 -3.403 1.00 0.00 C ATOM 505 NE ARG A 37 -9.991 -3.491 -4.467 1.00 0.00 N ATOM 506 CZ ARG A 37 -10.747 -2.882 -5.373 1.00 0.00 C ATOM 507 NH1 ARG A 37 -10.890 -1.564 -5.345 1.00 0.00 N ATOM 508 NH2 ARG A 37 -11.362 -3.592 -6.311 1.00 0.00 N ATOM 0 H ARG A 37 -6.814 -5.378 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.479 -3.199 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.267 -3.148 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.522 -1.909 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.377 -3.772 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.551 -4.621 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.984 -2.509 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.861 -1.862 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.902 -4.506 -4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.419 -1.015 -4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.471 -1.099 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.254 -4.606 -6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.943 -3.124 -7.007 1.00 0.00 H new ATOM 522 N MET A 38 -5.189 -1.754 0.143 1.00 0.00 N ATOM 523 CA MET A 38 -4.736 -1.099 1.364 1.00 0.00 C ATOM 524 C MET A 38 -4.895 0.415 1.260 1.00 0.00 C ATOM 525 O MET A 38 -4.814 0.984 0.172 1.00 0.00 O ATOM 526 CB MET A 38 -3.274 -1.451 1.646 1.00 0.00 C ATOM 527 CG MET A 38 -3.052 -2.924 1.950 1.00 0.00 C ATOM 528 SD MET A 38 -1.391 -3.479 1.519 1.00 0.00 S ATOM 529 CE MET A 38 -0.429 -2.711 2.821 1.00 0.00 C ATOM 0 H MET A 38 -5.016 -1.222 -0.710 1.00 0.00 H new ATOM 0 HA MET A 38 -5.354 -1.456 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.668 -1.171 0.784 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.922 -0.857 2.489 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.227 -3.102 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.783 -3.518 1.402 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.633 -2.842 2.614 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.662 -1.647 2.866 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.672 -3.176 3.776 1.00 0.00 H new ATOM 539 N HIS A 39 -5.124 1.061 2.399 1.00 0.00 N ATOM 540 CA HIS A 39 -5.295 2.509 2.436 1.00 0.00 C ATOM 541 C HIS A 39 -3.992 3.219 2.079 1.00 0.00 C ATOM 542 O HIS A 39 -2.945 2.584 1.940 1.00 0.00 O ATOM 543 CB HIS A 39 -5.769 2.953 3.819 1.00 0.00 C ATOM 544 CG HIS A 39 -7.204 2.625 4.094 1.00 0.00 C ATOM 545 ND1 HIS A 39 -7.601 1.485 4.761 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.340 3.296 3.790 1.00 0.00 C ATOM 547 CE1 HIS A 39 -8.919 1.468 4.853 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.392 2.556 4.272 1.00 0.00 N ATOM 0 H HIS A 39 -5.195 0.605 3.308 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.050 2.780 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.145 2.480 4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.626 4.029 3.915 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.975 0.767 5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.407 4.238 3.266 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.509 0.696 5.323 1.00 0.00 H new ATOM 556 N LEU A 40 -4.063 4.537 1.933 1.00 0.00 N ATOM 557 CA LEU A 40 -2.889 5.334 1.593 1.00 0.00 C ATOM 558 C LEU A 40 -1.894 5.358 2.748 1.00 0.00 C ATOM 559 O LEU A 40 -0.734 4.967 2.609 1.00 0.00 O ATOM 560 CB LEU A 40 -3.304 6.761 1.232 1.00 0.00 C ATOM 561 CG LEU A 40 -3.545 7.035 -0.253 1.00 0.00 C ATOM 562 CD1 LEU A 40 -2.224 7.126 -1.001 1.00 0.00 C ATOM 563 CD2 LEU A 40 -4.429 5.954 -0.858 1.00 0.00 C ATOM 0 H LEU A 40 -4.921 5.077 2.045 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.405 4.874 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.216 7.002 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.531 7.443 1.586 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.059 7.992 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.416 7.321 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.625 7.936 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.682 6.186 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.590 6.165 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.943 4.984 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.389 5.937 -0.341 1.00 0.00 H new ATOM 575 N PRO A 41 -2.355 5.825 3.917 1.00 0.00 N ATOM 576 CA PRO A 41 -1.522 5.909 5.121 1.00 0.00 C ATOM 577 C PRO A 41 -1.187 4.535 5.690 1.00 0.00 C ATOM 578 O PRO A 41 -0.325 4.406 6.561 1.00 0.00 O ATOM 579 CB PRO A 41 -2.394 6.696 6.102 1.00 0.00 C ATOM 580 CG PRO A 41 -3.792 6.447 5.651 1.00 0.00 C ATOM 581 CD PRO A 41 -3.726 6.308 4.155 1.00 0.00 C ATOM 0 HA PRO A 41 -0.558 6.376 4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.242 6.357 7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.154 7.759 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.195 5.544 6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.447 7.270 5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.470 5.604 3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.910 7.259 3.655 1.00 0.00 H new ATOM 589 N CYS A 42 -1.872 3.510 5.194 1.00 0.00 N ATOM 590 CA CYS A 42 -1.648 2.145 5.653 1.00 0.00 C ATOM 591 C CYS A 42 -0.528 1.481 4.857 1.00 0.00 C ATOM 592 O CYS A 42 0.195 0.629 5.374 1.00 0.00 O ATOM 593 CB CYS A 42 -2.933 1.325 5.528 1.00 0.00 C ATOM 594 SG CYS A 42 -4.172 1.682 6.815 1.00 0.00 S ATOM 0 H CYS A 42 -2.588 3.600 4.473 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.351 2.185 6.701 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.377 1.512 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.680 0.265 5.566 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.665 2.870 6.625 1.00 0.00 H new ATOM 599 N VAL A 43 -0.389 1.878 3.596 1.00 0.00 N ATOM 600 CA VAL A 43 0.643 1.323 2.729 1.00 0.00 C ATOM 601 C VAL A 43 2.007 1.929 3.041 1.00 0.00 C ATOM 602 O VAL A 43 2.998 1.213 3.178 1.00 0.00 O ATOM 603 CB VAL A 43 0.315 1.561 1.243 1.00 0.00 C ATOM 604 CG1 VAL A 43 1.423 1.012 0.357 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.024 0.934 0.886 1.00 0.00 C ATOM 0 H VAL A 43 -0.979 2.582 3.152 1.00 0.00 H new ATOM 0 HA VAL A 43 0.673 0.250 2.919 1.00 0.00 H new ATOM 0 HB VAL A 43 0.244 2.635 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.174 1.189 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.362 1.512 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.529 -0.059 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.240 1.112 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.984 -0.139 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.809 1.379 1.497 1.00 0.00 H new ATOM 615 N ALA A 44 2.049 3.252 3.152 1.00 0.00 N ATOM 616 CA ALA A 44 3.290 3.955 3.451 1.00 0.00 C ATOM 617 C ALA A 44 3.882 3.485 4.775 1.00 0.00 C ATOM 618 O ALA A 44 4.986 2.940 4.816 1.00 0.00 O ATOM 619 CB ALA A 44 3.053 5.457 3.480 1.00 0.00 C ATOM 0 H ALA A 44 1.237 3.859 3.039 1.00 0.00 H new ATOM 0 HA ALA A 44 4.006 3.727 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.989 5.969 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.684 5.786 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.316 5.694 4.248 1.00 0.00 H new ATOM 625 N LYS A 45 3.143 3.700 5.858 1.00 0.00 N ATOM 626 CA LYS A 45 3.593 3.298 7.185 1.00 0.00 C ATOM 627 C LYS A 45 4.122 1.867 7.170 1.00 0.00 C ATOM 628 O LYS A 45 4.933 1.486 8.015 1.00 0.00 O ATOM 629 CB LYS A 45 2.449 3.419 8.193 1.00 0.00 C ATOM 630 CG LYS A 45 2.896 3.293 9.639 1.00 0.00 C ATOM 631 CD LYS A 45 1.890 3.918 10.591 1.00 0.00 C ATOM 632 CE LYS A 45 2.554 4.382 11.878 1.00 0.00 C ATOM 633 NZ LYS A 45 1.567 4.947 12.839 1.00 0.00 N ATOM 0 H LYS A 45 2.228 4.151 5.842 1.00 0.00 H new ATOM 0 HA LYS A 45 4.403 3.963 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.956 4.382 8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.707 2.648 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.029 2.240 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.865 3.776 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.405 4.765 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.109 3.194 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.073 3.543 12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.308 5.135 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.059 5.252 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.089 5.763 12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.862 4.221 13.080 1.00 0.00 H new ATOM 647 N TYR A 46 3.660 1.081 6.205 1.00 0.00 N ATOM 648 CA TYR A 46 4.086 -0.308 6.081 1.00 0.00 C ATOM 649 C TYR A 46 5.281 -0.430 5.139 1.00 0.00 C ATOM 650 O TYR A 46 6.063 -1.376 5.228 1.00 0.00 O ATOM 651 CB TYR A 46 2.933 -1.174 5.573 1.00 0.00 C ATOM 652 CG TYR A 46 3.081 -2.640 5.913 1.00 0.00 C ATOM 653 CD1 TYR A 46 2.967 -3.084 7.224 1.00 0.00 C ATOM 654 CD2 TYR A 46 3.333 -3.581 4.922 1.00 0.00 C ATOM 655 CE1 TYR A 46 3.103 -4.423 7.539 1.00 0.00 C ATOM 656 CE2 TYR A 46 3.468 -4.922 5.227 1.00 0.00 C ATOM 657 CZ TYR A 46 3.353 -5.337 6.537 1.00 0.00 C ATOM 658 OH TYR A 46 3.487 -6.671 6.847 1.00 0.00 O ATOM 0 H TYR A 46 2.990 1.382 5.497 1.00 0.00 H new ATOM 0 HA TYR A 46 4.387 -0.658 7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.999 -0.804 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.858 -1.066 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.769 -2.371 8.011 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.425 -3.259 3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.014 -4.752 8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.662 -5.640 4.444 1.00 0.00 H new ATOM 0 HH TYR A 46 3.659 -7.181 6.028 1.00 0.00 H new ATOM 668 N PHE A 47 5.415 0.537 4.237 1.00 0.00 N ATOM 669 CA PHE A 47 6.514 0.540 3.278 1.00 0.00 C ATOM 670 C PHE A 47 7.383 1.782 3.451 1.00 0.00 C ATOM 671 O PHE A 47 8.066 2.208 2.520 1.00 0.00 O ATOM 672 CB PHE A 47 5.971 0.478 1.849 1.00 0.00 C ATOM 673 CG PHE A 47 5.159 -0.754 1.568 1.00 0.00 C ATOM 674 CD1 PHE A 47 5.544 -1.984 2.077 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.012 -0.683 0.795 1.00 0.00 C ATOM 676 CE1 PHE A 47 4.800 -3.120 1.821 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.263 -1.815 0.537 1.00 0.00 C ATOM 678 CZ PHE A 47 3.658 -3.035 1.049 1.00 0.00 C ATOM 0 H PHE A 47 4.777 1.328 4.150 1.00 0.00 H new ATOM 0 HA PHE A 47 7.129 -0.341 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.356 1.359 1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.806 0.520 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.436 -2.056 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.700 0.268 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.111 -4.073 2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.369 -1.746 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.075 -3.921 0.846 1.00 0.00 H new ATOM 688 N GLN A 48 7.351 2.358 4.648 1.00 0.00 N ATOM 689 CA GLN A 48 8.135 3.552 4.943 1.00 0.00 C ATOM 690 C GLN A 48 9.227 3.247 5.962 1.00 0.00 C ATOM 691 O GLN A 48 10.311 3.829 5.917 1.00 0.00 O ATOM 692 CB GLN A 48 7.228 4.666 5.466 1.00 0.00 C ATOM 693 CG GLN A 48 7.906 5.579 6.475 1.00 0.00 C ATOM 694 CD GLN A 48 7.374 6.998 6.429 1.00 0.00 C ATOM 695 OE1 GLN A 48 6.475 7.311 5.648 1.00 0.00 O ATOM 696 NE2 GLN A 48 7.928 7.866 7.268 1.00 0.00 N ATOM 0 H GLN A 48 6.791 2.018 5.429 1.00 0.00 H new ATOM 0 HA GLN A 48 8.609 3.884 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.879 5.264 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.347 4.220 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.765 5.175 7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.979 5.591 6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.671 7.563 7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.611 8.835 7.282 1.00 0.00 H new ATOM 755 N PRO A 53 9.495 -3.091 0.189 1.00 0.00 N ATOM 756 CA PRO A 53 8.071 -3.260 0.495 1.00 0.00 C ATOM 757 C PRO A 53 7.551 -4.636 0.093 1.00 0.00 C ATOM 758 O PRO A 53 7.673 -5.042 -1.063 1.00 0.00 O ATOM 759 CB PRO A 53 7.396 -2.169 -0.339 1.00 0.00 C ATOM 760 CG PRO A 53 8.338 -1.917 -1.466 1.00 0.00 C ATOM 761 CD PRO A 53 9.718 -2.136 -0.910 1.00 0.00 C ATOM 0 HA PRO A 53 7.872 -3.182 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.421 -2.495 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.231 -1.266 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.141 -2.593 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.228 -0.902 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.395 -2.540 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.159 -1.206 -0.551 1.00 0.00 H new ATOM 769 N ARG A 54 6.972 -5.349 1.053 1.00 0.00 N ATOM 770 CA ARG A 54 6.434 -6.680 0.798 1.00 0.00 C ATOM 771 C ARG A 54 4.938 -6.728 1.096 1.00 0.00 C ATOM 772 O ARG A 54 4.474 -6.167 2.089 1.00 0.00 O ATOM 773 CB ARG A 54 7.168 -7.721 1.646 1.00 0.00 C ATOM 774 CG ARG A 54 8.384 -8.319 0.957 1.00 0.00 C ATOM 775 CD ARG A 54 8.023 -9.576 0.182 1.00 0.00 C ATOM 776 NE ARG A 54 9.206 -10.264 -0.328 1.00 0.00 N ATOM 777 CZ ARG A 54 9.948 -11.089 0.403 1.00 0.00 C ATOM 778 NH1 ARG A 54 9.630 -11.328 1.668 1.00 0.00 N ATOM 779 NH2 ARG A 54 11.010 -11.677 -0.132 1.00 0.00 N ATOM 0 H ARG A 54 6.863 -5.027 2.015 1.00 0.00 H new ATOM 0 HA ARG A 54 6.584 -6.909 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.482 -7.259 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.475 -8.523 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.817 -7.584 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.146 -8.555 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.461 -10.251 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.370 -9.314 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 54 9.477 -10.102 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.814 -10.878 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.202 -11.962 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.257 -11.496 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.579 -12.310 0.430 1.00 0.00 H new ATOM 793 N CYS A 55 4.189 -7.402 0.230 1.00 0.00 N ATOM 794 CA CYS A 55 2.746 -7.524 0.399 1.00 0.00 C ATOM 795 C CYS A 55 2.411 -8.317 1.659 1.00 0.00 C ATOM 796 O CYS A 55 2.867 -9.443 1.853 1.00 0.00 O ATOM 797 CB CYS A 55 2.124 -8.201 -0.824 1.00 0.00 C ATOM 798 SG CYS A 55 0.313 -8.034 -0.925 1.00 0.00 S ATOM 0 H CYS A 55 4.558 -7.872 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 55 2.331 -6.521 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.568 -7.778 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.380 -9.260 -0.809 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.061 -8.112 -2.167 1.00 0.00 H new ATOM 803 N PRO A 56 1.594 -7.715 2.537 1.00 0.00 N ATOM 804 CA PRO A 56 1.178 -8.346 3.792 1.00 0.00 C ATOM 805 C PRO A 56 0.231 -9.520 3.566 1.00 0.00 C ATOM 806 O PRO A 56 -0.292 -10.101 4.517 1.00 0.00 O ATOM 807 CB PRO A 56 0.462 -7.217 4.537 1.00 0.00 C ATOM 808 CG PRO A 56 -0.015 -6.299 3.465 1.00 0.00 C ATOM 809 CD PRO A 56 1.013 -6.372 2.370 1.00 0.00 C ATOM 0 HA PRO A 56 2.024 -8.765 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.369 -7.599 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.136 -6.706 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.996 -6.602 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.115 -5.280 3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.561 -6.249 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.767 -5.592 2.474 1.00 0.00 H new ATOM 817 N HIS A 57 0.014 -9.863 2.300 1.00 0.00 N ATOM 818 CA HIS A 57 -0.870 -10.969 1.949 1.00 0.00 C ATOM 819 C HIS A 57 -0.095 -12.085 1.255 1.00 0.00 C ATOM 820 O HIS A 57 -0.232 -13.259 1.602 1.00 0.00 O ATOM 821 CB HIS A 57 -2.000 -10.478 1.043 1.00 0.00 C ATOM 822 CG HIS A 57 -3.068 -11.502 0.811 1.00 0.00 C ATOM 823 ND1 HIS A 57 -4.277 -11.492 1.473 1.00 0.00 N ATOM 824 CD2 HIS A 57 -3.105 -12.571 -0.019 1.00 0.00 C ATOM 825 CE1 HIS A 57 -5.011 -12.511 1.063 1.00 0.00 C ATOM 826 NE2 HIS A 57 -4.322 -13.181 0.157 1.00 0.00 N ATOM 0 H HIS A 57 0.438 -9.391 1.501 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.298 -11.366 2.870 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.450 -9.589 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.581 -10.178 0.083 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.323 -12.885 -0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.005 -12.755 1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.642 -14.016 -0.333 1.00 0.00 H new ATOM 834 N CYS A 58 0.719 -11.712 0.274 1.00 0.00 N ATOM 835 CA CYS A 58 1.516 -12.681 -0.470 1.00 0.00 C ATOM 836 C CYS A 58 3.005 -12.373 -0.342 1.00 0.00 C ATOM 837 O CYS A 58 3.811 -12.803 -1.166 1.00 0.00 O ATOM 838 CB CYS A 58 1.109 -12.682 -1.945 1.00 0.00 C ATOM 839 SG CYS A 58 1.504 -11.138 -2.826 1.00 0.00 S ATOM 0 H CYS A 58 0.845 -10.745 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 58 1.330 -13.668 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.606 -13.512 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.036 -12.863 -2.015 1.00 0.00 H new ATOM 0 HG CYS A 58 0.931 -10.137 -2.226 1.00 0.00 H new ATOM 844 N ASN A 59 3.362 -11.627 0.698 1.00 0.00 N ATOM 845 CA ASN A 59 4.754 -11.262 0.934 1.00 0.00 C ATOM 846 C ASN A 59 5.513 -11.130 -0.382 1.00 0.00 C ATOM 847 O ASN A 59 6.589 -11.705 -0.551 1.00 0.00 O ATOM 848 CB ASN A 59 5.433 -12.304 1.826 1.00 0.00 C ATOM 849 CG ASN A 59 4.615 -12.629 3.061 1.00 0.00 C ATOM 850 OD1 ASN A 59 3.813 -13.563 3.060 1.00 0.00 O ATOM 851 ND2 ASN A 59 4.815 -11.856 4.122 1.00 0.00 N ATOM 0 H ASN A 59 2.707 -11.264 1.390 1.00 0.00 H new ATOM 0 HA ASN A 59 4.769 -10.296 1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.599 -13.216 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.413 -11.936 2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.293 -12.025 4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.490 -11.093 4.077 1.00 0.00 H new ATOM 858 N ASP A 60 4.946 -10.370 -1.312 1.00 0.00 N ATOM 859 CA ASP A 60 5.570 -10.161 -2.614 1.00 0.00 C ATOM 860 C ASP A 60 5.960 -8.699 -2.802 1.00 0.00 C ATOM 861 O ASP A 60 5.367 -7.805 -2.197 1.00 0.00 O ATOM 862 CB ASP A 60 4.622 -10.597 -3.733 1.00 0.00 C ATOM 863 CG ASP A 60 5.310 -10.658 -5.083 1.00 0.00 C ATOM 864 OD1 ASP A 60 5.539 -9.585 -5.680 1.00 0.00 O ATOM 865 OD2 ASP A 60 5.618 -11.777 -5.543 1.00 0.00 O ATOM 0 H ASP A 60 4.055 -9.888 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 60 6.475 -10.767 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.209 -11.577 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.784 -9.902 -3.787 1.00 0.00 H new ATOM 870 N TYR A 61 6.960 -8.462 -3.643 1.00 0.00 N ATOM 871 CA TYR A 61 7.431 -7.107 -3.908 1.00 0.00 C ATOM 872 C TYR A 61 6.291 -6.219 -4.394 1.00 0.00 C ATOM 873 O TYR A 61 5.635 -6.522 -5.391 1.00 0.00 O ATOM 874 CB TYR A 61 8.554 -7.130 -4.946 1.00 0.00 C ATOM 875 CG TYR A 61 8.936 -5.758 -5.455 1.00 0.00 C ATOM 876 CD1 TYR A 61 8.183 -5.125 -6.436 1.00 0.00 C ATOM 877 CD2 TYR A 61 10.049 -5.095 -4.953 1.00 0.00 C ATOM 878 CE1 TYR A 61 8.529 -3.872 -6.904 1.00 0.00 C ATOM 879 CE2 TYR A 61 10.401 -3.841 -5.414 1.00 0.00 C ATOM 880 CZ TYR A 61 9.638 -3.234 -6.390 1.00 0.00 C ATOM 881 OH TYR A 61 9.985 -1.985 -6.853 1.00 0.00 O ATOM 0 H TYR A 61 7.460 -9.190 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 61 7.815 -6.694 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.433 -7.603 -4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.246 -7.748 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.313 -5.621 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.649 -5.568 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.934 -3.395 -7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.269 -3.339 -5.012 1.00 0.00 H new ATOM 0 HH TYR A 61 10.790 -1.675 -6.387 1.00 0.00 H new ATOM 891 N TRP A 62 6.062 -5.120 -3.684 1.00 0.00 N ATOM 892 CA TRP A 62 5.001 -4.186 -4.044 1.00 0.00 C ATOM 893 C TRP A 62 5.222 -3.622 -5.443 1.00 0.00 C ATOM 894 O TRP A 62 6.198 -2.920 -5.708 1.00 0.00 O ATOM 895 CB TRP A 62 4.932 -3.045 -3.026 1.00 0.00 C ATOM 896 CG TRP A 62 3.592 -2.376 -2.975 1.00 0.00 C ATOM 897 CD1 TRP A 62 3.311 -1.078 -3.292 1.00 0.00 C ATOM 898 CD2 TRP A 62 2.351 -2.972 -2.580 1.00 0.00 C ATOM 899 NE1 TRP A 62 1.971 -0.831 -3.118 1.00 0.00 N ATOM 900 CE2 TRP A 62 1.360 -1.977 -2.683 1.00 0.00 C ATOM 901 CE3 TRP A 62 1.981 -4.250 -2.152 1.00 0.00 C ATOM 902 CZ2 TRP A 62 0.025 -2.221 -2.373 1.00 0.00 C ATOM 903 CZ3 TRP A 62 0.655 -4.491 -1.844 1.00 0.00 C ATOM 904 CH2 TRP A 62 -0.310 -3.481 -1.956 1.00 0.00 C ATOM 0 H TRP A 62 6.596 -4.854 -2.857 1.00 0.00 H new ATOM 0 HA TRP A 62 4.056 -4.729 -4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.174 -3.435 -2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.692 -2.303 -3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 62 4.036 -0.352 -3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.506 0.061 -3.286 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.718 -5.035 -2.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.720 -1.444 -2.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.358 -5.475 -1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.338 -3.701 -1.708 1.00 0.00 H new ATOM 915 N PRO A 63 4.297 -3.936 -6.362 1.00 0.00 N ATOM 916 CA PRO A 63 4.370 -3.470 -7.750 1.00 0.00 C ATOM 917 C PRO A 63 4.124 -1.970 -7.871 1.00 0.00 C ATOM 918 O PRO A 63 4.899 -1.253 -8.505 1.00 0.00 O ATOM 919 CB PRO A 63 3.253 -4.253 -8.445 1.00 0.00 C ATOM 920 CG PRO A 63 2.286 -4.578 -7.361 1.00 0.00 C ATOM 921 CD PRO A 63 3.108 -4.769 -6.116 1.00 0.00 C ATOM 0 HA PRO A 63 5.357 -3.632 -8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.783 -3.660 -9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.638 -5.157 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.561 -3.774 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.722 -5.480 -7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.569 -4.447 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.374 -5.815 -5.967 1.00 0.00 H new ATOM 929 N HIS A 64 3.040 -1.501 -7.260 1.00 0.00 N ATOM 930 CA HIS A 64 2.693 -0.085 -7.299 1.00 0.00 C ATOM 931 C HIS A 64 3.712 0.746 -6.524 1.00 0.00 C ATOM 932 O HIS A 64 4.600 0.202 -5.870 1.00 0.00 O ATOM 933 CB HIS A 64 1.294 0.135 -6.722 1.00 0.00 C ATOM 934 CG HIS A 64 0.620 1.368 -7.240 1.00 0.00 C ATOM 935 ND1 HIS A 64 -0.129 2.300 -6.606 1.00 0.00 N flip ATOM 936 CD2 HIS A 64 0.675 1.757 -8.562 1.00 0.00 C flip ATOM 937 CE1 HIS A 64 -0.508 3.227 -7.546 1.00 0.00 C flip ATOM 938 NE2 HIS A 64 -0.009 2.876 -8.718 1.00 0.00 N flip ATOM 0 H HIS A 64 2.387 -2.081 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 64 2.704 0.238 -8.340 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.674 -0.732 -6.952 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.363 0.198 -5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.196 1.229 -9.347 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.115 4.100 -7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.131 3.383 -9.594 1.00 0.00 H new ATOM 946 N GLU A 65 3.576 2.066 -6.605 1.00 0.00 N ATOM 947 CA GLU A 65 4.487 2.971 -5.913 1.00 0.00 C ATOM 948 C GLU A 65 4.087 3.129 -4.449 1.00 0.00 C ATOM 949 O GLU A 65 3.026 2.665 -4.031 1.00 0.00 O ATOM 950 CB GLU A 65 4.503 4.338 -6.600 1.00 0.00 C ATOM 951 CG GLU A 65 3.160 5.048 -6.574 1.00 0.00 C ATOM 952 CD GLU A 65 3.116 6.247 -7.502 1.00 0.00 C ATOM 953 OE1 GLU A 65 3.702 7.291 -7.148 1.00 0.00 O ATOM 954 OE2 GLU A 65 2.496 6.141 -8.580 1.00 0.00 O ATOM 0 H GLU A 65 2.845 2.532 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 65 5.488 2.541 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.248 4.970 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.817 4.211 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.376 4.345 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.945 5.373 -5.556 1.00 0.00 H new ATOM 961 N ILE A 66 4.944 3.788 -3.676 1.00 0.00 N ATOM 962 CA ILE A 66 4.680 4.008 -2.259 1.00 0.00 C ATOM 963 C ILE A 66 4.153 5.418 -2.011 1.00 0.00 C ATOM 964 O ILE A 66 4.762 6.413 -2.404 1.00 0.00 O ATOM 965 CB ILE A 66 5.946 3.789 -1.410 1.00 0.00 C ATOM 966 CG1 ILE A 66 6.524 2.396 -1.667 1.00 0.00 C ATOM 967 CG2 ILE A 66 5.632 3.974 0.067 1.00 0.00 C ATOM 968 CD1 ILE A 66 5.541 1.276 -1.405 1.00 0.00 C ATOM 0 H ILE A 66 5.826 4.179 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 66 3.923 3.282 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 66 6.692 4.530 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.862 2.337 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.401 2.253 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.537 3.816 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.262 4.985 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.872 3.254 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.019 0.318 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.221 1.309 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.674 1.394 -2.055 1.00 0.00 H new ATOM 980 N PRO A 67 2.994 5.506 -1.342 1.00 0.00 N ATOM 981 CA PRO A 67 2.359 6.789 -1.024 1.00 0.00 C ATOM 982 C PRO A 67 3.138 7.576 0.025 1.00 0.00 C ATOM 983 O PRO A 67 3.922 7.009 0.786 1.00 0.00 O ATOM 984 CB PRO A 67 0.989 6.382 -0.478 1.00 0.00 C ATOM 985 CG PRO A 67 1.185 5.001 0.047 1.00 0.00 C ATOM 986 CD PRO A 67 2.213 4.361 -0.845 1.00 0.00 C ATOM 0 HA PRO A 67 2.308 7.445 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.658 7.061 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.229 6.404 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.525 5.022 1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.250 4.441 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.838 3.656 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.748 3.807 -1.661 1.00 0.00 H new ATOM 994 N LYS A 68 2.917 8.886 0.059 1.00 0.00 N ATOM 995 CA LYS A 68 3.596 9.752 1.016 1.00 0.00 C ATOM 996 C LYS A 68 2.599 10.376 1.987 1.00 0.00 C ATOM 997 O LYS A 68 2.652 10.126 3.191 1.00 0.00 O ATOM 998 CB LYS A 68 4.366 10.852 0.282 1.00 0.00 C ATOM 999 CG LYS A 68 5.316 11.629 1.176 1.00 0.00 C ATOM 1000 CD LYS A 68 6.305 12.446 0.362 1.00 0.00 C ATOM 1001 CE LYS A 68 7.141 13.356 1.249 1.00 0.00 C ATOM 1002 NZ LYS A 68 8.285 12.630 1.866 1.00 0.00 N ATOM 0 H LYS A 68 2.273 9.371 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 68 4.298 9.143 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.933 10.404 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.654 11.545 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.745 12.291 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.858 10.937 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.961 11.776 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.766 13.046 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.517 14.192 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.512 13.776 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.830 13.284 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.926 11.847 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.899 12.250 1.118 1.00 0.00 H new