USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=18 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 19 ASN :FLIP amide:sc= -0.214 F(o=-15,f=-13) USER MOD Set 1.2: A 31 CYS SG : rot 159:sc= 0.826 USER MOD Set 1.3: A 34 CYS SG : rot -51:sc= -3.42 USER MOD Set 1.4: A 55 CYS SG : rot 110:sc= 1.06 USER MOD Set 1.5: A 57 HIS :FLIP no HD1:sc= -4.23! C(o=-16!,f=-13!) USER MOD Set 1.6: A 58 CYS SG : rot -49:sc= -6.99! USER MOD Set 2.1: A 29 GLN : amide:sc= -2.3! C(o=-3.2!,f=-12!) USER MOD Set 2.2: A 64 HIS :FLIP no HD1:sc= -0.872 F(o=-3.9,f=-3.2) USER MOD Set 3.1: A 18 CYS SG : rot 143:sc= -0.0707 USER MOD Set 3.2: A 21 CYS SG : rot -56:sc= -0.286 USER MOD Set 3.3: A 23 SER OG : rot 98:sc= 0.101 USER MOD Set 3.4: A 39 HIS : no HD1:sc= -2.33! C(o=-4.3!,f=-11!) USER MOD Set 3.5: A 42 CYS SG : rot 170:sc= -1.67! USER MOD Single : A 22 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.0059) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.164 USER MOD Single : A 33 THR OG1 : rot 170:sc= 0 USER MOD Single : A 38 MET CE :methyl -155:sc= -4.94! (180deg=-6.52!) 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= -0.632 X(o=-0.63,f=-0.56) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.279 F(o=-0.79,f=-0.28) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc=-0.00418 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 214 N ILE A 17 -11.680 -4.626 1.192 1.00 0.00 N ATOM 215 CA ILE A 17 -11.272 -4.417 2.575 1.00 0.00 C ATOM 216 C ILE A 17 -9.763 -4.223 2.681 1.00 0.00 C ATOM 217 O ILE A 17 -8.991 -4.889 1.991 1.00 0.00 O ATOM 218 CB ILE A 17 -11.690 -5.599 3.470 1.00 0.00 C ATOM 219 CG1 ILE A 17 -13.214 -5.736 3.493 1.00 0.00 C ATOM 220 CG2 ILE A 17 -11.149 -5.413 4.880 1.00 0.00 C ATOM 221 CD1 ILE A 17 -13.914 -4.586 4.182 1.00 0.00 C ATOM 0 HA ILE A 17 -11.777 -3.514 2.919 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.268 -6.515 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.579 -5.812 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.479 -6.666 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.453 -6.256 5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.061 -5.359 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.545 -4.490 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.991 -4.750 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.577 -4.522 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.679 -3.655 3.666 1.00 0.00 H new ATOM 233 N CYS A 18 -9.349 -3.308 3.551 1.00 0.00 N ATOM 234 CA CYS A 18 -7.933 -3.026 3.749 1.00 0.00 C ATOM 235 C CYS A 18 -7.199 -4.260 4.264 1.00 0.00 C ATOM 236 O CYS A 18 -7.822 -5.235 4.682 1.00 0.00 O ATOM 237 CB CYS A 18 -7.755 -1.866 4.731 1.00 0.00 C ATOM 238 SG CYS A 18 -6.079 -1.153 4.744 1.00 0.00 S ATOM 0 H CYS A 18 -9.975 -2.749 4.131 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.506 -2.747 2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.470 -1.081 4.483 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.998 -2.214 5.735 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.156 0.134 4.907 1.00 0.00 H new ATOM 243 N ASN A 19 -5.872 -4.210 4.231 1.00 0.00 N ATOM 244 CA ASN A 19 -5.053 -5.324 4.695 1.00 0.00 C ATOM 245 C ASN A 19 -4.277 -4.942 5.952 1.00 0.00 C ATOM 246 O ASN A 19 -3.815 -5.809 6.695 1.00 0.00 O ATOM 247 CB ASN A 19 -4.082 -5.762 3.596 1.00 0.00 C ATOM 248 CG ASN A 19 -3.662 -7.212 3.741 1.00 0.00 C ATOM 249 OD1 ASN A 19 -4.202 -8.073 2.886 1.00 0.00 O flip ATOM 250 ND2 ASN A 19 -2.862 -7.555 4.611 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.340 -3.410 3.888 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.716 -6.154 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.550 -5.618 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.197 -5.126 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.471 -6.860 5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.590 -8.534 4.696 1.00 0.00 H new ATOM 257 N ILE A 20 -4.138 -3.641 6.183 1.00 0.00 N ATOM 258 CA ILE A 20 -3.420 -3.146 7.351 1.00 0.00 C ATOM 259 C ILE A 20 -4.366 -2.931 8.528 1.00 0.00 C ATOM 260 O ILE A 20 -4.023 -3.220 9.674 1.00 0.00 O ATOM 261 CB ILE A 20 -2.692 -1.824 7.044 1.00 0.00 C ATOM 262 CG1 ILE A 20 -1.812 -1.977 5.802 1.00 0.00 C ATOM 263 CG2 ILE A 20 -1.858 -1.389 8.240 1.00 0.00 C ATOM 264 CD1 ILE A 20 -0.606 -2.864 6.022 1.00 0.00 C ATOM 0 H ILE A 20 -4.513 -2.911 5.577 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.684 -3.905 7.614 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.437 -1.054 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.412 -2.388 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.474 -0.991 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.349 -0.453 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.508 -1.245 9.103 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.119 -2.157 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.028 -2.927 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.016 -2.443 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.936 -3.861 6.312 1.00 0.00 H new ATOM 276 N CYS A 21 -5.559 -2.423 8.236 1.00 0.00 N ATOM 277 CA CYS A 21 -6.556 -2.171 9.269 1.00 0.00 C ATOM 278 C CYS A 21 -7.777 -3.066 9.077 1.00 0.00 C ATOM 279 O CYS A 21 -8.562 -3.270 10.003 1.00 0.00 O ATOM 280 CB CYS A 21 -6.980 -0.701 9.250 1.00 0.00 C ATOM 281 SG CYS A 21 -7.791 -0.181 7.703 1.00 0.00 S ATOM 0 H CYS A 21 -5.858 -2.178 7.292 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.107 -2.401 10.235 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.659 -0.519 10.083 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.101 -0.078 9.414 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.007 -0.432 6.697 1.00 0.00 H new ATOM 286 N HIS A 22 -7.930 -3.597 7.867 1.00 0.00 N ATOM 287 CA HIS A 22 -9.055 -4.471 7.553 1.00 0.00 C ATOM 288 C HIS A 22 -10.366 -3.692 7.560 1.00 0.00 C ATOM 289 O HIS A 22 -11.423 -4.240 7.872 1.00 0.00 O ATOM 290 CB HIS A 22 -9.128 -5.623 8.555 1.00 0.00 C ATOM 291 CG HIS A 22 -9.643 -6.899 7.964 1.00 0.00 C ATOM 292 ND1 HIS A 22 -10.556 -7.710 8.605 1.00 0.00 N ATOM 293 CD2 HIS A 22 -9.371 -7.501 6.783 1.00 0.00 C ATOM 294 CE1 HIS A 22 -10.821 -8.758 7.844 1.00 0.00 C ATOM 295 NE2 HIS A 22 -10.115 -8.654 6.733 1.00 0.00 N ATOM 0 H HIS A 22 -7.290 -3.437 7.089 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.899 -4.878 6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.134 -5.798 8.968 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.771 -5.331 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.695 -7.142 6.022 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.499 -9.562 8.089 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.121 -9.322 5.962 1.00 0.00 H new ATOM 303 N SER A 23 -10.290 -2.411 7.213 1.00 0.00 N ATOM 304 CA SER A 23 -11.471 -1.555 7.183 1.00 0.00 C ATOM 305 C SER A 23 -11.959 -1.353 5.752 1.00 0.00 C ATOM 306 O SER A 23 -11.206 -1.538 4.795 1.00 0.00 O ATOM 307 CB SER A 23 -11.162 -0.202 7.825 1.00 0.00 C ATOM 308 OG SER A 23 -10.844 -0.349 9.198 1.00 0.00 O ATOM 0 H SER A 23 -9.423 -1.943 6.949 1.00 0.00 H new ATOM 0 HA SER A 23 -12.261 -2.047 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.329 0.269 7.304 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.021 0.460 7.716 1.00 0.00 H new ATOM 0 HG SER A 23 -9.870 -0.360 9.309 1.00 0.00 H new ATOM 314 N LEU A 24 -13.224 -0.971 5.614 1.00 0.00 N ATOM 315 CA LEU A 24 -13.815 -0.743 4.300 1.00 0.00 C ATOM 316 C LEU A 24 -13.243 0.517 3.657 1.00 0.00 C ATOM 317 O LEU A 24 -13.250 1.592 4.258 1.00 0.00 O ATOM 318 CB LEU A 24 -15.335 -0.624 4.416 1.00 0.00 C ATOM 319 CG LEU A 24 -16.127 -0.846 3.127 1.00 0.00 C ATOM 320 CD1 LEU A 24 -15.714 0.162 2.066 1.00 0.00 C ATOM 321 CD2 LEU A 24 -15.930 -2.268 2.620 1.00 0.00 C ATOM 0 H LEU A 24 -13.860 -0.813 6.396 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.571 -1.596 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.680 -1.343 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.573 0.368 4.799 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.185 -0.701 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.288 -0.012 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.906 1.172 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.651 0.050 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.500 -2.409 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.872 -2.440 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.276 -2.974 3.375 1.00 0.00 H new ATOM 333 N LEU A 25 -12.749 0.377 2.431 1.00 0.00 N ATOM 334 CA LEU A 25 -12.175 1.504 1.705 1.00 0.00 C ATOM 335 C LEU A 25 -12.852 1.680 0.349 1.00 0.00 C ATOM 336 O LEU A 25 -13.712 0.886 -0.034 1.00 0.00 O ATOM 337 CB LEU A 25 -10.671 1.300 1.514 1.00 0.00 C ATOM 338 CG LEU A 25 -10.237 -0.087 1.039 1.00 0.00 C ATOM 339 CD1 LEU A 25 -10.536 -0.261 -0.442 1.00 0.00 C ATOM 340 CD2 LEU A 25 -8.756 -0.306 1.316 1.00 0.00 C ATOM 0 H LEU A 25 -12.735 -0.505 1.920 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.341 2.406 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.313 2.037 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.173 1.510 2.460 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.804 -0.835 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.221 -1.254 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.607 -0.148 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.996 0.494 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.464 -1.298 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.172 0.448 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.570 -0.225 2.387 1.00 0.00 H new ATOM 352 N ILE A 26 -12.456 2.723 -0.373 1.00 0.00 N ATOM 353 CA ILE A 26 -13.023 3.000 -1.687 1.00 0.00 C ATOM 354 C ILE A 26 -11.926 3.277 -2.710 1.00 0.00 C ATOM 355 O ILE A 26 -11.984 2.794 -3.841 1.00 0.00 O ATOM 356 CB ILE A 26 -13.984 4.203 -1.643 1.00 0.00 C ATOM 357 CG1 ILE A 26 -14.599 4.442 -3.024 1.00 0.00 C ATOM 358 CG2 ILE A 26 -13.255 5.447 -1.160 1.00 0.00 C ATOM 359 CD1 ILE A 26 -15.701 3.465 -3.371 1.00 0.00 C ATOM 0 H ILE A 26 -11.746 3.389 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.580 2.112 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.788 3.982 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.997 5.456 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -13.815 4.376 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.948 6.288 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.860 5.272 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.434 5.674 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.091 3.694 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.304 2.450 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.504 3.547 -2.638 1.00 0.00 H new ATOM 371 N GLN A 27 -10.929 4.056 -2.305 1.00 0.00 N ATOM 372 CA GLN A 27 -9.818 4.396 -3.187 1.00 0.00 C ATOM 373 C GLN A 27 -8.490 4.324 -2.442 1.00 0.00 C ATOM 374 O GLN A 27 -8.328 4.928 -1.382 1.00 0.00 O ATOM 375 CB GLN A 27 -10.014 5.795 -3.772 1.00 0.00 C ATOM 376 CG GLN A 27 -9.945 6.904 -2.734 1.00 0.00 C ATOM 377 CD GLN A 27 -10.217 8.274 -3.324 1.00 0.00 C ATOM 378 OE1 GLN A 27 -11.369 8.668 -3.503 1.00 0.00 O ATOM 379 NE2 GLN A 27 -9.153 9.008 -3.629 1.00 0.00 N ATOM 0 H GLN A 27 -10.867 4.464 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.797 3.670 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.253 5.972 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.981 5.838 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.669 6.703 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.958 6.902 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.216 8.641 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.273 9.939 -4.029 1.00 0.00 H new ATOM 388 N GLY A 28 -7.541 3.582 -3.003 1.00 0.00 N ATOM 389 CA GLY A 28 -6.238 3.445 -2.378 1.00 0.00 C ATOM 390 C GLY A 28 -5.281 2.614 -3.209 1.00 0.00 C ATOM 391 O GLY A 28 -5.295 2.684 -4.437 1.00 0.00 O ATOM 0 H GLY A 28 -7.651 3.073 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.810 4.434 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.356 2.985 -1.397 1.00 0.00 H new ATOM 395 N GLN A 29 -4.446 1.827 -2.537 1.00 0.00 N ATOM 396 CA GLN A 29 -3.476 0.982 -3.222 1.00 0.00 C ATOM 397 C GLN A 29 -3.942 -0.470 -3.250 1.00 0.00 C ATOM 398 O GLN A 29 -4.759 -0.885 -2.428 1.00 0.00 O ATOM 399 CB GLN A 29 -2.111 1.078 -2.538 1.00 0.00 C ATOM 400 CG GLN A 29 -1.708 2.500 -2.181 1.00 0.00 C ATOM 401 CD GLN A 29 -1.825 3.452 -3.355 1.00 0.00 C ATOM 402 OE1 GLN A 29 -2.925 3.753 -3.819 1.00 0.00 O ATOM 403 NE2 GLN A 29 -0.687 3.933 -3.843 1.00 0.00 N ATOM 0 H GLN A 29 -4.422 1.757 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.386 1.336 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.125 0.475 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.354 0.649 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.336 2.857 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.680 2.502 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.203 3.657 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.703 4.578 -4.633 1.00 0.00 H new ATOM 412 N SER A 30 -3.417 -1.237 -4.200 1.00 0.00 N ATOM 413 CA SER A 30 -3.784 -2.642 -4.338 1.00 0.00 C ATOM 414 C SER A 30 -2.573 -3.482 -4.733 1.00 0.00 C ATOM 415 O SER A 30 -1.580 -2.961 -5.242 1.00 0.00 O ATOM 416 CB SER A 30 -4.892 -2.802 -5.380 1.00 0.00 C ATOM 417 OG SER A 30 -4.812 -4.064 -6.020 1.00 0.00 O ATOM 0 H SER A 30 -2.736 -0.910 -4.885 1.00 0.00 H new ATOM 0 HA SER A 30 -4.150 -2.993 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.865 -2.695 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.814 -2.008 -6.123 1.00 0.00 H new ATOM 0 HG SER A 30 -5.532 -4.142 -6.680 1.00 0.00 H new ATOM 423 N CYS A 31 -2.663 -4.786 -4.495 1.00 0.00 N ATOM 424 CA CYS A 31 -1.577 -5.701 -4.824 1.00 0.00 C ATOM 425 C CYS A 31 -1.855 -6.424 -6.139 1.00 0.00 C ATOM 426 O CYS A 31 -2.876 -7.094 -6.286 1.00 0.00 O ATOM 427 CB CYS A 31 -1.383 -6.721 -3.700 1.00 0.00 C ATOM 428 SG CYS A 31 0.173 -7.662 -3.811 1.00 0.00 S ATOM 0 H CYS A 31 -3.478 -5.233 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.664 -5.116 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.413 -6.201 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.219 -7.420 -3.710 1.00 0.00 H new ATOM 0 HG CYS A 31 0.471 -8.147 -2.642 1.00 0.00 H new ATOM 433 N GLU A 32 -0.938 -6.281 -7.091 1.00 0.00 N ATOM 434 CA GLU A 32 -1.084 -6.920 -8.394 1.00 0.00 C ATOM 435 C GLU A 32 -0.597 -8.365 -8.349 1.00 0.00 C ATOM 436 O GLU A 32 -0.279 -8.958 -9.381 1.00 0.00 O ATOM 437 CB GLU A 32 -0.308 -6.141 -9.458 1.00 0.00 C ATOM 438 CG GLU A 32 -1.053 -4.928 -9.989 1.00 0.00 C ATOM 439 CD GLU A 32 -0.554 -4.487 -11.351 1.00 0.00 C ATOM 440 OE1 GLU A 32 0.531 -3.874 -11.416 1.00 0.00 O ATOM 441 OE2 GLU A 32 -1.250 -4.756 -12.353 1.00 0.00 O ATOM 0 H GLU A 32 -0.087 -5.729 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.143 -6.920 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.644 -5.817 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.078 -6.808 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.116 -5.159 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.948 -4.104 -9.283 1.00 0.00 H new ATOM 448 N THR A 33 -0.541 -8.928 -7.146 1.00 0.00 N ATOM 449 CA THR A 33 -0.092 -10.302 -6.965 1.00 0.00 C ATOM 450 C THR A 33 -1.223 -11.188 -6.455 1.00 0.00 C ATOM 451 O THR A 33 -1.601 -12.164 -7.103 1.00 0.00 O ATOM 452 CB THR A 33 1.090 -10.382 -5.981 1.00 0.00 C ATOM 453 OG1 THR A 33 2.183 -9.592 -6.463 1.00 0.00 O ATOM 454 CG2 THR A 33 1.542 -11.822 -5.793 1.00 0.00 C ATOM 0 H THR A 33 -0.801 -8.452 -6.282 1.00 0.00 H new ATOM 0 HA THR A 33 0.233 -10.659 -7.942 1.00 0.00 H new ATOM 0 HB THR A 33 0.759 -9.994 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.865 -9.516 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.378 -11.853 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.716 -12.414 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.856 -12.233 -6.752 1.00 0.00 H new ATOM 462 N CYS A 34 -1.761 -10.841 -5.291 1.00 0.00 N ATOM 463 CA CYS A 34 -2.850 -11.604 -4.694 1.00 0.00 C ATOM 464 C CYS A 34 -4.190 -10.911 -4.924 1.00 0.00 C ATOM 465 O CYS A 34 -5.151 -11.531 -5.378 1.00 0.00 O ATOM 466 CB CYS A 34 -2.610 -11.788 -3.194 1.00 0.00 C ATOM 467 SG CYS A 34 -2.291 -10.235 -2.296 1.00 0.00 S ATOM 0 H CYS A 34 -1.460 -10.036 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.880 -12.583 -5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.480 -12.277 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.762 -12.458 -3.052 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.348 -9.572 -2.897 1.00 0.00 H new ATOM 472 N GLY A 35 -4.246 -9.621 -4.607 1.00 0.00 N ATOM 473 CA GLY A 35 -5.471 -8.865 -4.786 1.00 0.00 C ATOM 474 C GLY A 35 -5.967 -8.249 -3.493 1.00 0.00 C ATOM 475 O GLY A 35 -7.126 -8.426 -3.118 1.00 0.00 O ATOM 0 H GLY A 35 -3.464 -9.086 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.304 -8.076 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.242 -9.520 -5.192 1.00 0.00 H new ATOM 479 N ILE A 36 -5.087 -7.526 -2.809 1.00 0.00 N ATOM 480 CA ILE A 36 -5.441 -6.882 -1.550 1.00 0.00 C ATOM 481 C ILE A 36 -5.303 -5.367 -1.649 1.00 0.00 C ATOM 482 O ILE A 36 -4.369 -4.858 -2.268 1.00 0.00 O ATOM 483 CB ILE A 36 -4.565 -7.392 -0.391 1.00 0.00 C ATOM 484 CG1 ILE A 36 -3.093 -7.067 -0.655 1.00 0.00 C ATOM 485 CG2 ILE A 36 -4.756 -8.889 -0.200 1.00 0.00 C ATOM 486 CD1 ILE A 36 -2.651 -5.745 -0.067 1.00 0.00 C ATOM 0 H ILE A 36 -4.123 -7.371 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.481 -7.137 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.871 -6.887 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.474 -7.864 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.920 -7.053 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.130 -9.234 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.802 -9.096 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.474 -9.411 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.597 -5.580 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.245 -4.939 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.792 -5.762 1.014 1.00 0.00 H new ATOM 498 N ARG A 37 -6.240 -4.651 -1.034 1.00 0.00 N ATOM 499 CA ARG A 37 -6.222 -3.194 -1.053 1.00 0.00 C ATOM 500 C ARG A 37 -5.751 -2.639 0.288 1.00 0.00 C ATOM 501 O ARG A 37 -5.955 -3.256 1.333 1.00 0.00 O ATOM 502 CB ARG A 37 -7.614 -2.650 -1.381 1.00 0.00 C ATOM 503 CG ARG A 37 -7.906 -2.583 -2.871 1.00 0.00 C ATOM 504 CD ARG A 37 -9.379 -2.318 -3.139 1.00 0.00 C ATOM 505 NE ARG A 37 -9.688 -2.337 -4.566 1.00 0.00 N ATOM 506 CZ ARG A 37 -9.447 -1.318 -5.384 1.00 0.00 C ATOM 507 NH1 ARG A 37 -8.897 -0.205 -4.918 1.00 0.00 N ATOM 508 NH2 ARG A 37 -9.756 -1.411 -6.671 1.00 0.00 N ATOM 0 H ARG A 37 -7.020 -5.057 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.523 -2.874 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.363 -3.279 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.715 -1.652 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.305 -1.795 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.612 -3.521 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.981 -3.069 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.655 -1.350 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.112 -3.179 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.658 -0.130 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.713 0.576 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.179 -2.265 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.571 -0.628 -7.298 1.00 0.00 H new ATOM 522 N MET A 38 -5.119 -1.470 0.250 1.00 0.00 N ATOM 523 CA MET A 38 -4.619 -0.832 1.462 1.00 0.00 C ATOM 524 C MET A 38 -4.730 0.686 1.363 1.00 0.00 C ATOM 525 O MET A 38 -4.384 1.278 0.339 1.00 0.00 O ATOM 526 CB MET A 38 -3.164 -1.234 1.713 1.00 0.00 C ATOM 527 CG MET A 38 -2.984 -2.715 2.003 1.00 0.00 C ATOM 528 SD MET A 38 -1.381 -3.339 1.463 1.00 0.00 S ATOM 529 CE MET A 38 -0.345 -2.846 2.839 1.00 0.00 C ATOM 0 H MET A 38 -4.941 -0.946 -0.607 1.00 0.00 H new ATOM 0 HA MET A 38 -5.231 -1.169 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.567 -0.968 0.841 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.776 -0.658 2.553 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.095 -2.888 3.074 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.775 -3.277 1.506 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.686 -2.745 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.693 -1.891 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.397 -3.602 3.623 1.00 0.00 H new ATOM 539 N HIS A 39 -5.214 1.311 2.431 1.00 0.00 N ATOM 540 CA HIS A 39 -5.369 2.761 2.464 1.00 0.00 C ATOM 541 C HIS A 39 -4.045 3.456 2.164 1.00 0.00 C ATOM 542 O HIS A 39 -2.986 2.827 2.170 1.00 0.00 O ATOM 543 CB HIS A 39 -5.896 3.208 3.827 1.00 0.00 C ATOM 544 CG HIS A 39 -7.346 2.899 4.040 1.00 0.00 C ATOM 545 ND1 HIS A 39 -7.791 1.722 4.603 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.456 3.624 3.762 1.00 0.00 C ATOM 547 CE1 HIS A 39 -9.110 1.734 4.661 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.539 2.878 4.158 1.00 0.00 N ATOM 0 H HIS A 39 -5.506 0.836 3.285 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.089 3.042 1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.311 2.725 4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.743 4.282 3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.484 4.606 3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.732 0.943 5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.516 3.161 4.077 1.00 0.00 H new ATOM 556 N LEU A 40 -4.111 4.757 1.901 1.00 0.00 N ATOM 557 CA LEU A 40 -2.917 5.538 1.598 1.00 0.00 C ATOM 558 C LEU A 40 -1.952 5.538 2.779 1.00 0.00 C ATOM 559 O LEU A 40 -0.793 5.138 2.665 1.00 0.00 O ATOM 560 CB LEU A 40 -3.302 6.975 1.240 1.00 0.00 C ATOM 561 CG LEU A 40 -3.502 7.265 -0.248 1.00 0.00 C ATOM 562 CD1 LEU A 40 -2.174 7.198 -0.988 1.00 0.00 C ATOM 563 CD2 LEU A 40 -4.500 6.288 -0.853 1.00 0.00 C ATOM 0 H LEU A 40 -4.979 5.293 1.892 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.418 5.078 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.224 7.225 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.528 7.643 1.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.903 8.273 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.336 7.407 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.488 7.937 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.745 6.202 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.630 6.510 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.128 5.270 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.458 6.384 -0.342 1.00 0.00 H new ATOM 575 N PRO A 41 -2.439 5.994 3.942 1.00 0.00 N ATOM 576 CA PRO A 41 -1.637 6.054 5.168 1.00 0.00 C ATOM 577 C PRO A 41 -1.329 4.669 5.727 1.00 0.00 C ATOM 578 O PRO A 41 -0.421 4.506 6.543 1.00 0.00 O ATOM 579 CB PRO A 41 -2.526 6.837 6.136 1.00 0.00 C ATOM 580 CG PRO A 41 -3.914 6.607 5.646 1.00 0.00 C ATOM 581 CD PRO A 41 -3.811 6.487 4.151 1.00 0.00 C ATOM 0 HA PRO A 41 -0.664 6.514 4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.404 6.483 7.160 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.276 7.898 6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.337 5.702 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.569 7.432 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.552 5.795 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.973 7.446 3.659 1.00 0.00 H new ATOM 589 N CYS A 42 -2.091 3.675 5.284 1.00 0.00 N ATOM 590 CA CYS A 42 -1.901 2.303 5.741 1.00 0.00 C ATOM 591 C CYS A 42 -0.767 1.628 4.975 1.00 0.00 C ATOM 592 O CYS A 42 0.021 0.874 5.548 1.00 0.00 O ATOM 593 CB CYS A 42 -3.193 1.503 5.570 1.00 0.00 C ATOM 594 SG CYS A 42 -4.461 1.861 6.829 1.00 0.00 S ATOM 0 H CYS A 42 -2.846 3.794 4.609 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.637 2.331 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.608 1.709 4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.956 0.439 5.600 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.584 1.305 6.484 1.00 0.00 H new ATOM 599 N VAL A 43 -0.690 1.904 3.677 1.00 0.00 N ATOM 600 CA VAL A 43 0.348 1.325 2.833 1.00 0.00 C ATOM 601 C VAL A 43 1.730 1.822 3.242 1.00 0.00 C ATOM 602 O VAL A 43 2.659 1.034 3.414 1.00 0.00 O ATOM 603 CB VAL A 43 0.114 1.657 1.347 1.00 0.00 C ATOM 604 CG1 VAL A 43 1.273 1.157 0.499 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.203 1.062 0.870 1.00 0.00 C ATOM 0 H VAL A 43 -1.334 2.525 3.187 1.00 0.00 H new ATOM 0 HA VAL A 43 0.299 0.245 2.968 1.00 0.00 H new ATOM 0 HB VAL A 43 0.058 2.740 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.090 1.401 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.196 1.635 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.365 0.076 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.353 1.306 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.178 -0.021 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.023 1.474 1.458 1.00 0.00 H new ATOM 615 N ALA A 44 1.858 3.136 3.396 1.00 0.00 N ATOM 616 CA ALA A 44 3.126 3.739 3.787 1.00 0.00 C ATOM 617 C ALA A 44 3.586 3.218 5.144 1.00 0.00 C ATOM 618 O ALA A 44 4.768 2.934 5.344 1.00 0.00 O ATOM 619 CB ALA A 44 3.003 5.255 3.815 1.00 0.00 C ATOM 0 H ALA A 44 1.099 3.803 3.256 1.00 0.00 H new ATOM 0 HA ALA A 44 3.876 3.460 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.957 5.692 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.728 5.616 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.235 5.545 4.533 1.00 0.00 H new ATOM 625 N LYS A 45 2.646 3.096 6.075 1.00 0.00 N ATOM 626 CA LYS A 45 2.954 2.609 7.415 1.00 0.00 C ATOM 627 C LYS A 45 3.719 1.291 7.352 1.00 0.00 C ATOM 628 O LYS A 45 4.544 0.999 8.218 1.00 0.00 O ATOM 629 CB LYS A 45 1.667 2.427 8.222 1.00 0.00 C ATOM 630 CG LYS A 45 1.297 3.638 9.060 1.00 0.00 C ATOM 631 CD LYS A 45 -0.208 3.756 9.237 1.00 0.00 C ATOM 632 CE LYS A 45 -0.681 3.027 10.485 1.00 0.00 C ATOM 633 NZ LYS A 45 -2.148 3.176 10.692 1.00 0.00 N ATOM 0 H LYS A 45 1.664 3.328 5.926 1.00 0.00 H new ATOM 0 HA LYS A 45 3.583 3.350 7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.848 2.205 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.778 1.563 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.774 3.565 10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.680 4.541 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.487 4.808 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.712 3.346 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.431 1.969 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.150 3.414 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.431 2.665 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.384 4.184 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.656 2.783 9.874 1.00 0.00 H new ATOM 647 N TYR A 46 3.440 0.499 6.323 1.00 0.00 N ATOM 648 CA TYR A 46 4.101 -0.789 6.148 1.00 0.00 C ATOM 649 C TYR A 46 5.360 -0.644 5.299 1.00 0.00 C ATOM 650 O TYR A 46 6.259 -1.484 5.352 1.00 0.00 O ATOM 651 CB TYR A 46 3.146 -1.791 5.498 1.00 0.00 C ATOM 652 CG TYR A 46 3.459 -3.232 5.835 1.00 0.00 C ATOM 653 CD1 TYR A 46 3.515 -3.660 7.156 1.00 0.00 C ATOM 654 CD2 TYR A 46 3.696 -4.165 4.833 1.00 0.00 C ATOM 655 CE1 TYR A 46 3.801 -4.974 7.469 1.00 0.00 C ATOM 656 CE2 TYR A 46 3.981 -5.482 5.137 1.00 0.00 C ATOM 657 CZ TYR A 46 4.033 -5.882 6.456 1.00 0.00 C ATOM 658 OH TYR A 46 4.317 -7.193 6.764 1.00 0.00 O ATOM 0 H TYR A 46 2.760 0.726 5.597 1.00 0.00 H new ATOM 0 HA TYR A 46 4.389 -1.158 7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.127 -1.566 5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.181 -1.664 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.332 -2.953 7.951 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.657 -3.855 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.843 -5.290 8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.162 -6.195 4.346 1.00 0.00 H new ATOM 0 HH TYR A 46 4.453 -7.701 5.937 1.00 0.00 H new ATOM 668 N PHE A 47 5.418 0.429 4.517 1.00 0.00 N ATOM 669 CA PHE A 47 6.567 0.685 3.656 1.00 0.00 C ATOM 670 C PHE A 47 7.145 2.072 3.920 1.00 0.00 C ATOM 671 O PHE A 47 7.406 2.834 2.989 1.00 0.00 O ATOM 672 CB PHE A 47 6.166 0.559 2.184 1.00 0.00 C ATOM 673 CG PHE A 47 5.399 -0.695 1.877 1.00 0.00 C ATOM 674 CD1 PHE A 47 5.872 -1.930 2.289 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.205 -0.639 1.176 1.00 0.00 C ATOM 676 CE1 PHE A 47 5.168 -3.087 2.009 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.497 -1.791 0.893 1.00 0.00 C ATOM 678 CZ PHE A 47 3.979 -3.017 1.309 1.00 0.00 C ATOM 0 H PHE A 47 4.684 1.135 4.462 1.00 0.00 H new ATOM 0 HA PHE A 47 7.332 -0.058 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.562 1.422 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.064 0.586 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.802 -1.990 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.823 0.316 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.547 -4.044 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.567 -1.733 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.428 -3.919 1.087 1.00 0.00 H new ATOM 688 N GLN A 48 7.343 2.391 5.195 1.00 0.00 N ATOM 689 CA GLN A 48 7.889 3.687 5.581 1.00 0.00 C ATOM 690 C GLN A 48 9.276 3.531 6.196 1.00 0.00 C ATOM 691 O GLN A 48 10.041 4.492 6.278 1.00 0.00 O ATOM 692 CB GLN A 48 6.955 4.383 6.572 1.00 0.00 C ATOM 693 CG GLN A 48 6.678 3.566 7.824 1.00 0.00 C ATOM 694 CD GLN A 48 6.237 4.423 8.994 1.00 0.00 C ATOM 695 OE1 GLN A 48 6.812 5.481 9.256 1.00 0.00 O ATOM 696 NE2 GLN A 48 5.211 3.971 9.706 1.00 0.00 N ATOM 0 H GLN A 48 7.134 1.771 5.977 1.00 0.00 H new ATOM 0 HA GLN A 48 7.975 4.299 4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.393 5.338 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.010 4.603 6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.906 2.828 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.577 3.015 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.764 3.090 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.870 4.505 10.505 1.00 0.00 H new ATOM 755 N PRO A 53 9.403 -2.971 -0.125 1.00 0.00 N ATOM 756 CA PRO A 53 8.023 -3.134 0.342 1.00 0.00 C ATOM 757 C PRO A 53 7.459 -4.512 0.016 1.00 0.00 C ATOM 758 O PRO A 53 7.319 -4.876 -1.151 1.00 0.00 O ATOM 759 CB PRO A 53 7.260 -2.049 -0.422 1.00 0.00 C ATOM 760 CG PRO A 53 8.067 -1.812 -1.651 1.00 0.00 C ATOM 761 CD PRO A 53 9.501 -2.029 -1.253 1.00 0.00 C ATOM 0 HA PRO A 53 7.946 -3.046 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.250 -2.375 -0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.166 -1.139 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.775 -2.497 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.915 -0.801 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.087 -2.444 -2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.982 -1.096 -0.957 1.00 0.00 H new ATOM 769 N ARG A 54 7.137 -5.275 1.056 1.00 0.00 N ATOM 770 CA ARG A 54 6.588 -6.615 0.879 1.00 0.00 C ATOM 771 C ARG A 54 5.102 -6.643 1.222 1.00 0.00 C ATOM 772 O ARG A 54 4.670 -6.051 2.212 1.00 0.00 O ATOM 773 CB ARG A 54 7.344 -7.617 1.754 1.00 0.00 C ATOM 774 CG ARG A 54 8.825 -7.713 1.430 1.00 0.00 C ATOM 775 CD ARG A 54 9.403 -9.055 1.853 1.00 0.00 C ATOM 776 NE ARG A 54 9.766 -9.074 3.267 1.00 0.00 N ATOM 777 CZ ARG A 54 10.640 -9.926 3.790 1.00 0.00 C ATOM 778 NH1 ARG A 54 11.238 -10.824 3.019 1.00 0.00 N ATOM 779 NH2 ARG A 54 10.919 -9.880 5.087 1.00 0.00 N ATOM 0 H ARG A 54 7.247 -4.989 2.029 1.00 0.00 H new ATOM 0 HA ARG A 54 6.706 -6.895 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.227 -7.333 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.891 -8.602 1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.974 -7.573 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.362 -6.909 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.675 -9.842 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.283 -9.277 1.250 1.00 0.00 H new ATOM 0 HE ARG A 54 9.324 -8.396 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.027 -10.861 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.909 -11.477 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.462 -9.190 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.590 -10.535 5.488 1.00 0.00 H new ATOM 793 N CYS A 55 4.323 -7.335 0.397 1.00 0.00 N ATOM 794 CA CYS A 55 2.885 -7.440 0.611 1.00 0.00 C ATOM 795 C CYS A 55 2.577 -8.325 1.816 1.00 0.00 C ATOM 796 O CYS A 55 3.013 -9.473 1.902 1.00 0.00 O ATOM 797 CB CYS A 55 2.202 -8.004 -0.637 1.00 0.00 C ATOM 798 SG CYS A 55 0.394 -8.162 -0.488 1.00 0.00 S ATOM 0 H CYS A 55 4.664 -7.831 -0.426 1.00 0.00 H new ATOM 0 HA CYS A 55 2.499 -6.440 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.431 -7.360 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.625 -8.984 -0.858 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.183 -7.284 -1.254 1.00 0.00 H new ATOM 803 N PRO A 56 1.808 -7.779 2.769 1.00 0.00 N ATOM 804 CA PRO A 56 1.424 -8.501 3.986 1.00 0.00 C ATOM 805 C PRO A 56 0.441 -9.632 3.704 1.00 0.00 C ATOM 806 O PRO A 56 -0.057 -10.280 4.625 1.00 0.00 O ATOM 807 CB PRO A 56 0.763 -7.421 4.846 1.00 0.00 C ATOM 808 CG PRO A 56 0.269 -6.410 3.870 1.00 0.00 C ATOM 809 CD PRO A 56 1.253 -6.416 2.733 1.00 0.00 C ATOM 0 HA PRO A 56 2.280 -8.980 4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.054 -7.832 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.474 -6.982 5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.732 -6.662 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.208 -5.423 4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.767 -6.205 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.029 -5.663 2.869 1.00 0.00 H new ATOM 817 N HIS A 57 0.167 -9.866 2.424 1.00 0.00 N ATOM 818 CA HIS A 57 -0.756 -10.920 2.020 1.00 0.00 C ATOM 819 C HIS A 57 -0.014 -12.051 1.315 1.00 0.00 C ATOM 820 O HIS A 57 -0.150 -13.220 1.679 1.00 0.00 O ATOM 821 CB HIS A 57 -1.840 -10.355 1.102 1.00 0.00 C ATOM 822 CG HIS A 57 -2.985 -11.294 0.878 1.00 0.00 C ATOM 823 ND1 HIS A 57 -3.188 -12.231 -0.078 1.00 0.00 N flip ATOM 824 CD2 HIS A 57 -4.096 -11.333 1.693 1.00 0.00 C flip ATOM 825 CE1 HIS A 57 -4.405 -12.814 0.175 1.00 0.00 C flip ATOM 826 NE2 HIS A 57 -4.932 -12.255 1.249 1.00 0.00 N flip ATOM 0 H HIS A 57 0.571 -9.340 1.649 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.225 -11.321 2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.220 -9.428 1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.394 -10.103 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.258 -10.708 2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.858 -13.602 -0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.832 -12.494 1.665 1.00 0.00 H new ATOM 834 N CYS A 58 0.771 -11.696 0.303 1.00 0.00 N ATOM 835 CA CYS A 58 1.535 -12.680 -0.455 1.00 0.00 C ATOM 836 C CYS A 58 3.033 -12.427 -0.321 1.00 0.00 C ATOM 837 O CYS A 58 3.821 -12.841 -1.170 1.00 0.00 O ATOM 838 CB CYS A 58 1.130 -12.644 -1.930 1.00 0.00 C ATOM 839 SG CYS A 58 1.569 -11.096 -2.784 1.00 0.00 S ATOM 0 H CYS A 58 0.895 -10.734 -0.011 1.00 0.00 H new ATOM 0 HA CYS A 58 1.314 -13.667 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.604 -13.478 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.053 -12.794 -2.004 1.00 0.00 H new ATOM 0 HG CYS A 58 1.178 -10.081 -2.071 1.00 0.00 H new ATOM 844 N ASN A 59 3.419 -11.744 0.753 1.00 0.00 N ATOM 845 CA ASN A 59 4.823 -11.435 0.998 1.00 0.00 C ATOM 846 C ASN A 59 5.575 -11.240 -0.315 1.00 0.00 C ATOM 847 O ASN A 59 6.736 -11.627 -0.440 1.00 0.00 O ATOM 848 CB ASN A 59 5.477 -12.553 1.813 1.00 0.00 C ATOM 849 CG ASN A 59 6.667 -12.062 2.616 1.00 0.00 C ATOM 850 OD1 ASN A 59 7.844 -12.084 2.002 1.00 0.00 O flip ATOM 851 ND2 ASN A 59 6.528 -11.669 3.774 1.00 0.00 N flip ATOM 0 H ASN A 59 2.779 -11.395 1.467 1.00 0.00 H new ATOM 0 HA ASN A 59 4.871 -10.505 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.739 -12.986 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.799 -13.349 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.604 -11.670 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.337 -11.342 4.302 1.00 0.00 H new ATOM 858 N ASP A 60 4.904 -10.636 -1.290 1.00 0.00 N ATOM 859 CA ASP A 60 5.509 -10.387 -2.593 1.00 0.00 C ATOM 860 C ASP A 60 5.945 -8.931 -2.721 1.00 0.00 C ATOM 861 O ASP A 60 5.474 -8.065 -1.984 1.00 0.00 O ATOM 862 CB ASP A 60 4.526 -10.738 -3.711 1.00 0.00 C ATOM 863 CG ASP A 60 5.197 -10.824 -5.067 1.00 0.00 C ATOM 864 OD1 ASP A 60 5.600 -9.767 -5.597 1.00 0.00 O ATOM 865 OD2 ASP A 60 5.319 -11.947 -5.600 1.00 0.00 O ATOM 0 H ASP A 60 3.941 -10.310 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 60 6.391 -11.021 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.048 -11.691 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.737 -9.986 -3.746 1.00 0.00 H new ATOM 870 N TYR A 61 6.847 -8.669 -3.660 1.00 0.00 N ATOM 871 CA TYR A 61 7.349 -7.319 -3.882 1.00 0.00 C ATOM 872 C TYR A 61 6.230 -6.390 -4.344 1.00 0.00 C ATOM 873 O TYR A 61 5.581 -6.641 -5.360 1.00 0.00 O ATOM 874 CB TYR A 61 8.475 -7.334 -4.917 1.00 0.00 C ATOM 875 CG TYR A 61 8.687 -6.002 -5.601 1.00 0.00 C ATOM 876 CD1 TYR A 61 7.957 -5.655 -6.731 1.00 0.00 C ATOM 877 CD2 TYR A 61 9.617 -5.091 -5.116 1.00 0.00 C ATOM 878 CE1 TYR A 61 8.149 -4.440 -7.359 1.00 0.00 C ATOM 879 CE2 TYR A 61 9.814 -3.873 -5.737 1.00 0.00 C ATOM 880 CZ TYR A 61 9.078 -3.552 -6.858 1.00 0.00 C ATOM 881 OH TYR A 61 9.271 -2.339 -7.480 1.00 0.00 O ATOM 0 H TYR A 61 7.246 -9.374 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 61 7.740 -6.945 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.402 -7.634 -4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.254 -8.089 -5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.227 -6.347 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.196 -5.339 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.575 -4.186 -8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.541 -3.176 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 61 9.959 -1.832 -7.001 1.00 0.00 H new ATOM 891 N TRP A 62 6.011 -5.318 -3.592 1.00 0.00 N ATOM 892 CA TRP A 62 4.971 -4.351 -3.924 1.00 0.00 C ATOM 893 C TRP A 62 5.133 -3.847 -5.354 1.00 0.00 C ATOM 894 O TRP A 62 6.067 -3.111 -5.675 1.00 0.00 O ATOM 895 CB TRP A 62 5.009 -3.175 -2.948 1.00 0.00 C ATOM 896 CG TRP A 62 3.726 -2.402 -2.898 1.00 0.00 C ATOM 897 CD1 TRP A 62 3.539 -1.100 -3.267 1.00 0.00 C ATOM 898 CD2 TRP A 62 2.453 -2.882 -2.453 1.00 0.00 C ATOM 899 NE1 TRP A 62 2.226 -0.742 -3.078 1.00 0.00 N ATOM 900 CE2 TRP A 62 1.539 -1.818 -2.580 1.00 0.00 C ATOM 901 CE3 TRP A 62 1.996 -4.107 -1.961 1.00 0.00 C ATOM 902 CZ2 TRP A 62 0.197 -1.944 -2.231 1.00 0.00 C ATOM 903 CZ3 TRP A 62 0.664 -4.231 -1.615 1.00 0.00 C ATOM 904 CH2 TRP A 62 -0.223 -3.155 -1.752 1.00 0.00 C ATOM 0 H TRP A 62 6.539 -5.096 -2.748 1.00 0.00 H new ATOM 0 HA TRP A 62 4.006 -4.850 -3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.239 -3.548 -1.950 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.819 -2.503 -3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 62 4.310 -0.448 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.827 0.176 -3.276 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.672 -4.942 -1.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.488 -1.115 -2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.300 -5.173 -1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.259 -3.284 -1.474 1.00 0.00 H new ATOM 915 N PRO A 63 4.205 -4.250 -6.234 1.00 0.00 N ATOM 916 CA PRO A 63 4.224 -3.849 -7.644 1.00 0.00 C ATOM 917 C PRO A 63 3.900 -2.371 -7.831 1.00 0.00 C ATOM 918 O PRO A 63 4.473 -1.704 -8.693 1.00 0.00 O ATOM 919 CB PRO A 63 3.134 -4.719 -8.274 1.00 0.00 C ATOM 920 CG PRO A 63 2.207 -5.039 -7.152 1.00 0.00 C ATOM 921 CD PRO A 63 3.065 -5.127 -5.920 1.00 0.00 C ATOM 0 HA PRO A 63 5.208 -3.983 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.618 -4.189 -9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.554 -5.625 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.445 -4.267 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.685 -5.979 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.530 -4.788 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.387 -6.150 -5.727 1.00 0.00 H new ATOM 929 N HIS A 64 2.979 -1.864 -7.018 1.00 0.00 N ATOM 930 CA HIS A 64 2.580 -0.463 -7.094 1.00 0.00 C ATOM 931 C HIS A 64 3.600 0.431 -6.394 1.00 0.00 C ATOM 932 O HIS A 64 4.561 -0.056 -5.800 1.00 0.00 O ATOM 933 CB HIS A 64 1.199 -0.269 -6.465 1.00 0.00 C ATOM 934 CG HIS A 64 0.491 0.960 -6.945 1.00 0.00 C ATOM 935 ND1 HIS A 64 0.134 2.089 -6.289 1.00 0.00 N flip ATOM 936 CD2 HIS A 64 0.062 1.122 -8.245 1.00 0.00 C flip ATOM 937 CE1 HIS A 64 -0.496 2.905 -7.196 1.00 0.00 C flip ATOM 938 NE2 HIS A 64 -0.526 2.299 -8.369 1.00 0.00 N flip ATOM 0 H HIS A 64 2.495 -2.402 -6.299 1.00 0.00 H new ATOM 0 HA HIS A 64 2.535 -0.180 -8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.583 -1.142 -6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.306 -0.217 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.187 0.400 -9.038 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.901 3.884 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.934 2.675 -9.225 1.00 0.00 H new ATOM 946 N GLU A 65 3.384 1.740 -6.472 1.00 0.00 N ATOM 947 CA GLU A 65 4.286 2.701 -5.847 1.00 0.00 C ATOM 948 C GLU A 65 3.885 2.961 -4.398 1.00 0.00 C ATOM 949 O GLU A 65 2.764 2.658 -3.989 1.00 0.00 O ATOM 950 CB GLU A 65 4.288 4.015 -6.631 1.00 0.00 C ATOM 951 CG GLU A 65 2.963 4.757 -6.579 1.00 0.00 C ATOM 952 CD GLU A 65 2.803 5.747 -7.717 1.00 0.00 C ATOM 953 OE1 GLU A 65 3.497 5.589 -8.743 1.00 0.00 O ATOM 954 OE2 GLU A 65 1.984 6.679 -7.580 1.00 0.00 O ATOM 0 H GLU A 65 2.593 2.159 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 65 5.291 2.278 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.073 4.662 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.538 3.807 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.146 4.036 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.884 5.285 -5.629 1.00 0.00 H new ATOM 961 N ILE A 66 4.810 3.522 -3.627 1.00 0.00 N ATOM 962 CA ILE A 66 4.554 3.823 -2.224 1.00 0.00 C ATOM 963 C ILE A 66 4.055 5.254 -2.050 1.00 0.00 C ATOM 964 O ILE A 66 4.630 6.206 -2.578 1.00 0.00 O ATOM 965 CB ILE A 66 5.817 3.624 -1.366 1.00 0.00 C ATOM 966 CG1 ILE A 66 6.489 2.293 -1.708 1.00 0.00 C ATOM 967 CG2 ILE A 66 5.467 3.682 0.114 1.00 0.00 C ATOM 968 CD1 ILE A 66 5.665 1.084 -1.324 1.00 0.00 C ATOM 0 H ILE A 66 5.743 3.777 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 66 3.783 3.129 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 66 6.517 4.430 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.689 2.261 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.453 2.241 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.370 3.540 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.029 4.653 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.750 2.895 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.203 0.176 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.487 1.092 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.711 1.112 -1.850 1.00 0.00 H new ATOM 980 N PRO A 67 2.960 5.411 -1.292 1.00 0.00 N ATOM 981 CA PRO A 67 2.361 6.723 -1.029 1.00 0.00 C ATOM 982 C PRO A 67 3.232 7.587 -0.123 1.00 0.00 C ATOM 983 O PRO A 67 4.357 7.216 0.211 1.00 0.00 O ATOM 984 CB PRO A 67 1.043 6.377 -0.332 1.00 0.00 C ATOM 985 CG PRO A 67 1.281 5.044 0.290 1.00 0.00 C ATOM 986 CD PRO A 67 2.223 4.320 -0.632 1.00 0.00 C ATOM 0 HA PRO A 67 2.237 7.305 -1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.785 7.124 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.217 6.340 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.713 5.149 1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.347 4.494 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.892 3.657 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.685 3.704 -1.353 1.00 0.00 H new ATOM 994 N LYS A 68 2.704 8.741 0.271 1.00 0.00 N ATOM 995 CA LYS A 68 3.432 9.658 1.140 1.00 0.00 C ATOM 996 C LYS A 68 2.598 10.027 2.363 1.00 0.00 C ATOM 997 O LYS A 68 1.430 10.396 2.240 1.00 0.00 O ATOM 998 CB LYS A 68 3.817 10.924 0.371 1.00 0.00 C ATOM 999 CG LYS A 68 4.706 11.869 1.161 1.00 0.00 C ATOM 1000 CD LYS A 68 3.885 12.870 1.957 1.00 0.00 C ATOM 1001 CE LYS A 68 3.278 13.935 1.057 1.00 0.00 C ATOM 1002 NZ LYS A 68 4.310 14.869 0.529 1.00 0.00 N ATOM 0 H LYS A 68 1.774 9.063 0.002 1.00 0.00 H new ATOM 0 HA LYS A 68 4.338 9.156 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.330 10.639 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.909 11.452 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.338 11.295 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.370 12.401 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.091 12.348 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.516 13.344 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.762 13.456 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.530 14.498 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.845 15.706 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.940 15.164 1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.867 14.391 -0.208 1.00 0.00 H new