USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 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 50 LYS NZ :NH3+ 154:sc= -0.0731 (180deg=0) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -132:sc= -1.69 (180deg=-4.64!) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -8.04! C(o=-8.9!,f=-8.6!) USER MOD Set 2.2: A 36 MET CE :methyl -128:sc= -0.838 (180deg=-0.107) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0494 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.592 (180deg=0.579) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0162 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.2! C(o=-3.2!,f=-9.8!) USER MOD Single : A 42 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.341 (180deg=-1.61!) USER MOD Single : A 46 SER OG : rot 10:sc= 0.445 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= -0.0703 (180deg=-0.345) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0.12 (180deg=0.097) USER MOD Single : A 60 TYR OH : rot -109:sc= 0.799! USER MOD Single : A 62 GLN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 249 N PRO A 14 1.163 4.091 -1.075 1.00 0.00 N ATOM 250 CA PRO A 14 0.872 2.884 -1.858 1.00 0.00 C ATOM 251 C PRO A 14 0.179 1.805 -1.035 1.00 0.00 C ATOM 252 O PRO A 14 0.045 1.925 0.184 1.00 0.00 O ATOM 253 CB PRO A 14 2.253 2.400 -2.313 1.00 0.00 C ATOM 254 CG PRO A 14 3.214 3.022 -1.360 1.00 0.00 C ATOM 255 CD PRO A 14 2.611 4.342 -0.972 1.00 0.00 C ATOM 0 HA PRO A 14 0.189 3.098 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.319 1.312 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.460 2.706 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.363 2.388 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.191 3.160 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.898 4.635 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.930 5.143 -1.639 1.00 0.00 H new ATOM 263 N LEU A 15 -0.257 0.747 -1.710 1.00 0.00 N ATOM 264 CA LEU A 15 -0.935 -0.361 -1.048 1.00 0.00 C ATOM 265 C LEU A 15 0.078 -1.357 -0.497 1.00 0.00 C ATOM 266 O LEU A 15 1.286 -1.171 -0.639 1.00 0.00 O ATOM 267 CB LEU A 15 -1.878 -1.069 -2.023 1.00 0.00 C ATOM 268 CG LEU A 15 -3.154 -0.296 -2.371 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.397 -0.310 -3.873 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.351 -0.879 -1.633 1.00 0.00 C ATOM 0 H LEU A 15 -0.152 0.634 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.518 0.043 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.334 -1.275 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.160 -2.032 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.024 0.739 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.308 0.244 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.553 0.155 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.504 -1.339 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.248 -0.317 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.482 -1.923 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.182 -0.816 -0.558 1.00 0.00 H new ATOM 282 N THR A 16 -0.419 -2.419 0.128 1.00 0.00 N ATOM 283 CA THR A 16 0.450 -3.443 0.693 1.00 0.00 C ATOM 284 C THR A 16 0.601 -4.617 -0.273 1.00 0.00 C ATOM 285 O THR A 16 -0.310 -4.915 -1.045 1.00 0.00 O ATOM 286 CB THR A 16 -0.097 -3.934 2.035 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.458 -4.311 1.915 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.003 -2.899 3.135 1.00 0.00 C ATOM 0 H THR A 16 -1.416 -2.592 0.256 1.00 0.00 H new ATOM 0 HA THR A 16 1.432 -2.999 0.857 1.00 0.00 H new ATOM 0 HB THR A 16 0.526 -4.786 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.789 -4.623 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.408 -3.312 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.041 -2.624 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.574 -2.015 2.852 1.00 0.00 H new ATOM 296 N PRO A 17 1.758 -5.300 -0.238 1.00 0.00 N ATOM 297 CA PRO A 17 2.029 -6.444 -1.113 1.00 0.00 C ATOM 298 C PRO A 17 0.846 -7.400 -1.204 1.00 0.00 C ATOM 299 O PRO A 17 0.552 -7.939 -2.271 1.00 0.00 O ATOM 300 CB PRO A 17 3.215 -7.124 -0.435 1.00 0.00 C ATOM 301 CG PRO A 17 3.937 -6.020 0.258 1.00 0.00 C ATOM 302 CD PRO A 17 2.893 -5.008 0.658 1.00 0.00 C ATOM 0 HA PRO A 17 2.222 -6.138 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.884 -7.886 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.856 -7.621 -1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.469 -6.394 1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.681 -5.570 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.613 -5.115 1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.254 -3.988 0.527 1.00 0.00 H new ATOM 310 N TYR A 18 0.170 -7.606 -0.078 1.00 0.00 N ATOM 311 CA TYR A 18 -0.981 -8.497 -0.036 1.00 0.00 C ATOM 312 C TYR A 18 -2.184 -7.858 -0.724 1.00 0.00 C ATOM 313 O TYR A 18 -2.955 -8.535 -1.404 1.00 0.00 O ATOM 314 CB TYR A 18 -1.332 -8.852 1.410 1.00 0.00 C ATOM 315 CG TYR A 18 -2.474 -9.839 1.533 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.579 -10.920 0.667 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.445 -9.689 2.516 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.620 -11.822 0.775 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.488 -10.587 2.630 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.571 -11.653 1.758 1.00 0.00 C ATOM 321 OH TYR A 18 -5.610 -12.548 1.869 1.00 0.00 O ATOM 0 H TYR A 18 0.400 -7.169 0.814 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.721 -9.411 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.450 -9.267 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.592 -7.939 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.835 -11.058 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.383 -8.857 3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.688 -12.656 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.235 -10.455 3.398 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.190 -12.285 2.613 1.00 0.00 H new ATOM 331 N PHE A 19 -2.339 -6.549 -0.543 1.00 0.00 N ATOM 332 CA PHE A 19 -3.449 -5.819 -1.148 1.00 0.00 C ATOM 333 C PHE A 19 -3.329 -5.822 -2.668 1.00 0.00 C ATOM 334 O PHE A 19 -4.309 -6.051 -3.376 1.00 0.00 O ATOM 335 CB PHE A 19 -3.491 -4.378 -0.629 1.00 0.00 C ATOM 336 CG PHE A 19 -4.786 -4.020 0.049 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.998 -4.454 -0.466 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.790 -3.248 1.200 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.188 -4.124 0.155 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.976 -2.917 1.825 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.178 -3.356 1.302 1.00 0.00 C ATOM 0 H PHE A 19 -1.711 -5.973 0.017 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.376 -6.320 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.670 -4.229 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.326 -3.695 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.012 -5.057 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.854 -2.901 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.125 -4.467 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.965 -2.315 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.107 -3.099 1.789 1.00 0.00 H new ATOM 351 N ARG A 20 -2.120 -5.574 -3.163 1.00 0.00 N ATOM 352 CA ARG A 20 -1.874 -5.557 -4.602 1.00 0.00 C ATOM 353 C ARG A 20 -1.889 -6.969 -5.188 1.00 0.00 C ATOM 354 O ARG A 20 -1.734 -7.149 -6.393 1.00 0.00 O ATOM 355 CB ARG A 20 -0.535 -4.881 -4.903 1.00 0.00 C ATOM 356 CG ARG A 20 0.623 -5.423 -4.081 1.00 0.00 C ATOM 357 CD ARG A 20 1.963 -5.044 -4.689 1.00 0.00 C ATOM 358 NE ARG A 20 2.393 -6.006 -5.702 1.00 0.00 N ATOM 359 CZ ARG A 20 2.877 -5.673 -6.899 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.008 -4.397 -7.245 1.00 0.00 N ATOM 361 NH2 ARG A 20 3.233 -6.620 -7.754 1.00 0.00 N ATOM 0 H ARG A 20 -1.297 -5.383 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.678 -4.988 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.306 -5.004 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.629 -3.811 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.561 -5.036 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.547 -6.508 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.891 -4.053 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.715 -4.985 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 20 2.318 -6.998 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.737 -3.661 -6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.379 -4.153 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.137 -7.602 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.603 -6.367 -8.670 1.00 0.00 H new ATOM 375 N PHE A 21 -2.072 -7.969 -4.327 1.00 0.00 N ATOM 376 CA PHE A 21 -2.108 -9.365 -4.751 1.00 0.00 C ATOM 377 C PHE A 21 -3.547 -9.859 -4.853 1.00 0.00 C ATOM 378 O PHE A 21 -3.903 -10.622 -5.758 1.00 0.00 O ATOM 379 CB PHE A 21 -1.334 -10.216 -3.742 1.00 0.00 C ATOM 380 CG PHE A 21 -1.091 -11.631 -4.178 1.00 0.00 C ATOM 381 CD1 PHE A 21 -2.135 -12.538 -4.253 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.186 -12.056 -4.497 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.905 -13.845 -4.640 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.422 -13.358 -4.885 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.626 -14.256 -4.957 1.00 0.00 C ATOM 0 H PHE A 21 -2.198 -7.835 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.647 -9.450 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.373 -9.740 -3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.882 -10.229 -2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.138 -12.221 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.009 -11.359 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.726 -14.545 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.424 -13.675 -5.132 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.445 -15.277 -5.260 1.00 0.00 H new ATOM 395 N PHE A 22 -4.371 -9.406 -3.917 1.00 0.00 N ATOM 396 CA PHE A 22 -5.776 -9.780 -3.866 1.00 0.00 C ATOM 397 C PHE A 22 -6.571 -8.964 -4.875 1.00 0.00 C ATOM 398 O PHE A 22 -7.180 -9.503 -5.797 1.00 0.00 O ATOM 399 CB PHE A 22 -6.293 -9.545 -2.440 1.00 0.00 C ATOM 400 CG PHE A 22 -7.785 -9.639 -2.268 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.608 -8.586 -2.634 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.359 -10.772 -1.714 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.977 -8.663 -2.456 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.725 -10.854 -1.530 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.535 -9.799 -1.902 1.00 0.00 C ATOM 0 H PHE A 22 -4.083 -8.770 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.894 -10.833 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.822 -10.271 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.969 -8.557 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.175 -7.695 -3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.731 -11.601 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.608 -7.837 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.160 -11.742 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.604 -9.862 -1.760 1.00 0.00 H new ATOM 415 N MET A 23 -6.541 -7.657 -4.682 1.00 0.00 N ATOM 416 CA MET A 23 -7.242 -6.722 -5.546 1.00 0.00 C ATOM 417 C MET A 23 -6.806 -6.844 -7.007 1.00 0.00 C ATOM 418 O MET A 23 -7.530 -6.428 -7.910 1.00 0.00 O ATOM 419 CB MET A 23 -6.977 -5.308 -5.046 1.00 0.00 C ATOM 420 CG MET A 23 -8.054 -4.784 -4.115 1.00 0.00 C ATOM 421 SD MET A 23 -9.129 -3.570 -4.902 1.00 0.00 S ATOM 422 CE MET A 23 -10.473 -3.496 -3.720 1.00 0.00 C ATOM 0 H MET A 23 -6.029 -7.213 -3.920 1.00 0.00 H new ATOM 0 HA MET A 23 -8.306 -6.954 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.018 -5.288 -4.528 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.890 -4.639 -5.902 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.657 -5.619 -3.758 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.584 -4.334 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.223 -2.785 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.926 -4.482 -3.622 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.089 -3.176 -2.752 1.00 0.00 H new ATOM 432 N GLU A 24 -5.617 -7.393 -7.236 1.00 0.00 N ATOM 433 CA GLU A 24 -5.099 -7.530 -8.596 1.00 0.00 C ATOM 434 C GLU A 24 -5.593 -8.806 -9.277 1.00 0.00 C ATOM 435 O GLU A 24 -5.953 -8.784 -10.455 1.00 0.00 O ATOM 436 CB GLU A 24 -3.564 -7.487 -8.596 1.00 0.00 C ATOM 437 CG GLU A 24 -2.895 -8.823 -8.291 1.00 0.00 C ATOM 438 CD GLU A 24 -2.784 -9.717 -9.511 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.245 -9.303 -10.597 1.00 0.00 O ATOM 440 OE2 GLU A 24 -2.237 -10.832 -9.381 1.00 0.00 O ATOM 0 H GLU A 24 -4.998 -7.747 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.480 -6.686 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.223 -7.138 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.233 -6.753 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.899 -8.642 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.463 -9.340 -7.518 1.00 0.00 H new ATOM 447 N LYS A 25 -5.599 -9.919 -8.550 1.00 0.00 N ATOM 448 CA LYS A 25 -6.038 -11.188 -9.124 1.00 0.00 C ATOM 449 C LYS A 25 -7.474 -11.527 -8.723 1.00 0.00 C ATOM 450 O LYS A 25 -8.004 -12.564 -9.124 1.00 0.00 O ATOM 451 CB LYS A 25 -5.087 -12.317 -8.720 1.00 0.00 C ATOM 452 CG LYS A 25 -5.335 -12.869 -7.329 1.00 0.00 C ATOM 453 CD LYS A 25 -4.056 -13.403 -6.709 1.00 0.00 C ATOM 454 CE LYS A 25 -3.914 -14.904 -6.921 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.602 -15.255 -7.528 1.00 0.00 N ATOM 0 H LYS A 25 -5.309 -9.970 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.018 -11.081 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.176 -13.128 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.062 -11.951 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.750 -12.086 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.077 -13.666 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.198 -12.891 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.049 -13.184 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.021 -15.418 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.719 -15.258 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.570 -16.277 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.481 -14.732 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.837 -15.002 -6.871 1.00 0.00 H new ATOM 469 N ARG A 26 -8.106 -10.654 -7.942 1.00 0.00 N ATOM 470 CA ARG A 26 -9.480 -10.879 -7.513 1.00 0.00 C ATOM 471 C ARG A 26 -10.354 -11.165 -8.719 1.00 0.00 C ATOM 472 O ARG A 26 -11.257 -12.000 -8.674 1.00 0.00 O ATOM 473 CB ARG A 26 -10.023 -9.660 -6.757 1.00 0.00 C ATOM 474 CG ARG A 26 -10.006 -9.800 -5.241 1.00 0.00 C ATOM 475 CD ARG A 26 -10.353 -11.211 -4.789 1.00 0.00 C ATOM 476 NE ARG A 26 -11.374 -11.831 -5.625 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.640 -11.423 -5.683 1.00 0.00 C ATOM 478 NH1 ARG A 26 -13.049 -10.395 -4.952 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.501 -12.050 -6.472 1.00 0.00 N ATOM 0 H ARG A 26 -7.690 -9.790 -7.596 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.494 -11.737 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.436 -8.784 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.047 -9.474 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.019 -9.532 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.715 -9.096 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.453 -11.826 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.702 -11.183 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.101 -12.627 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.392 -9.911 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.020 -10.088 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.193 -12.844 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.471 -11.739 -6.517 1.00 0.00 H new ATOM 493 N ALA A 27 -10.054 -10.468 -9.803 1.00 0.00 N ATOM 494 CA ALA A 27 -10.781 -10.639 -11.050 1.00 0.00 C ATOM 495 C ALA A 27 -10.745 -12.098 -11.477 1.00 0.00 C ATOM 496 O ALA A 27 -11.703 -12.624 -12.041 1.00 0.00 O ATOM 497 CB ALA A 27 -10.168 -9.770 -12.131 1.00 0.00 C ATOM 0 H ALA A 27 -9.307 -9.774 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.818 -10.339 -10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.719 -9.904 -13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.217 -8.724 -11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.127 -10.056 -12.281 1.00 0.00 H new ATOM 503 N LYS A 28 -9.617 -12.736 -11.195 1.00 0.00 N ATOM 504 CA LYS A 28 -9.422 -14.140 -11.542 1.00 0.00 C ATOM 505 C LYS A 28 -10.269 -15.058 -10.660 1.00 0.00 C ATOM 506 O LYS A 28 -10.502 -16.217 -11.000 1.00 0.00 O ATOM 507 CB LYS A 28 -7.944 -14.514 -11.412 1.00 0.00 C ATOM 508 CG LYS A 28 -7.537 -15.698 -12.274 1.00 0.00 C ATOM 509 CD LYS A 28 -7.263 -16.938 -11.435 1.00 0.00 C ATOM 510 CE LYS A 28 -8.220 -18.069 -11.779 1.00 0.00 C ATOM 511 NZ LYS A 28 -7.679 -18.947 -12.853 1.00 0.00 N ATOM 0 H LYS A 28 -8.821 -12.304 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.742 -14.275 -12.575 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.335 -13.652 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.726 -14.743 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.327 -15.913 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.646 -15.442 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.237 -17.267 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.356 -16.691 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.414 -18.664 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.175 -17.652 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.361 -19.705 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.518 -18.385 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.780 -19.366 -12.539 1.00 0.00 H new ATOM 525 N TYR A 29 -10.723 -14.535 -9.524 1.00 0.00 N ATOM 526 CA TYR A 29 -11.540 -15.311 -8.595 1.00 0.00 C ATOM 527 C TYR A 29 -13.015 -14.972 -8.742 1.00 0.00 C ATOM 528 O TYR A 29 -13.882 -15.811 -8.503 1.00 0.00 O ATOM 529 CB TYR A 29 -11.101 -15.047 -7.159 1.00 0.00 C ATOM 530 CG TYR A 29 -9.832 -15.761 -6.768 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.839 -17.112 -6.446 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.625 -15.079 -6.718 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.676 -17.763 -6.086 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.459 -15.722 -6.360 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.489 -17.064 -6.044 1.00 0.00 C ATOM 536 OH TYR A 29 -6.326 -17.708 -5.685 1.00 0.00 O ATOM 0 H TYR A 29 -10.539 -13.577 -9.225 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.401 -16.366 -8.833 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.960 -13.975 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.900 -15.351 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.768 -17.662 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.598 -14.028 -6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.696 -18.814 -5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.527 -15.177 -6.327 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.580 -17.073 -5.707 1.00 0.00 H new ATOM 546 N ALA A 30 -13.296 -13.739 -9.151 1.00 0.00 N ATOM 547 CA ALA A 30 -14.669 -13.300 -9.340 1.00 0.00 C ATOM 548 C ALA A 30 -15.258 -13.976 -10.566 1.00 0.00 C ATOM 549 O ALA A 30 -16.473 -13.996 -10.768 1.00 0.00 O ATOM 550 CB ALA A 30 -14.725 -11.786 -9.481 1.00 0.00 C ATOM 0 H ALA A 30 -12.592 -13.030 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.258 -13.581 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.759 -11.472 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.324 -11.322 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.132 -11.479 -10.342 1.00 0.00 H new ATOM 556 N LYS A 31 -14.370 -14.533 -11.377 1.00 0.00 N ATOM 557 CA LYS A 31 -14.751 -15.225 -12.591 1.00 0.00 C ATOM 558 C LYS A 31 -14.649 -16.736 -12.400 1.00 0.00 C ATOM 559 O LYS A 31 -15.318 -17.507 -13.090 1.00 0.00 O ATOM 560 CB LYS A 31 -13.833 -14.775 -13.723 1.00 0.00 C ATOM 561 CG LYS A 31 -14.350 -13.569 -14.490 1.00 0.00 C ATOM 562 CD LYS A 31 -15.788 -13.764 -14.941 1.00 0.00 C ATOM 563 CE LYS A 31 -16.173 -12.775 -16.030 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.593 -12.347 -15.912 1.00 0.00 N ATOM 0 H LYS A 31 -13.364 -14.516 -11.208 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.785 -14.984 -12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.852 -14.538 -13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.695 -15.604 -14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.283 -12.682 -13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.717 -13.392 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.919 -14.781 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.456 -13.645 -14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.524 -11.901 -15.973 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.010 -13.229 -17.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.817 -11.673 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.214 -13.178 -15.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.742 -11.891 -14.990 1.00 0.00 H new ATOM 578 N LEU A 32 -13.800 -17.149 -11.462 1.00 0.00 N ATOM 579 CA LEU A 32 -13.597 -18.567 -11.178 1.00 0.00 C ATOM 580 C LEU A 32 -14.484 -19.048 -10.027 1.00 0.00 C ATOM 581 O LEU A 32 -14.475 -20.232 -9.687 1.00 0.00 O ATOM 582 CB LEU A 32 -12.129 -18.826 -10.840 1.00 0.00 C ATOM 583 CG LEU A 32 -11.766 -20.297 -10.615 1.00 0.00 C ATOM 584 CD1 LEU A 32 -10.645 -20.724 -11.551 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.370 -20.535 -9.165 1.00 0.00 C ATOM 0 H LEU A 32 -13.241 -16.521 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.875 -19.126 -12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.511 -18.435 -11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.874 -18.263 -9.942 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.645 -20.902 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.403 -21.772 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.965 -20.595 -12.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.763 -20.112 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.116 -21.586 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.507 -19.917 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.203 -20.273 -8.513 1.00 0.00 H new ATOM 597 N HIS A 33 -15.251 -18.137 -9.430 1.00 0.00 N ATOM 598 CA HIS A 33 -16.133 -18.495 -8.321 1.00 0.00 C ATOM 599 C HIS A 33 -17.601 -18.280 -8.693 1.00 0.00 C ATOM 600 O HIS A 33 -18.317 -17.536 -8.021 1.00 0.00 O ATOM 601 CB HIS A 33 -15.781 -17.683 -7.069 1.00 0.00 C ATOM 602 CG HIS A 33 -14.578 -18.199 -6.342 1.00 0.00 C ATOM 603 ND1 HIS A 33 -14.602 -18.563 -5.012 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.310 -18.418 -6.766 1.00 0.00 C ATOM 605 CE1 HIS A 33 -13.403 -18.981 -4.650 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.600 -18.904 -5.695 1.00 0.00 N ATOM 0 H HIS A 33 -15.280 -17.152 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.986 -19.554 -8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.606 -16.646 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.635 -17.687 -6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.928 -18.243 -7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.126 -19.327 -3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.613 -19.163 -5.706 1.00 0.00 H new ATOM 615 N PRO A 34 -18.073 -18.934 -9.772 1.00 0.00 N ATOM 616 CA PRO A 34 -19.464 -18.810 -10.223 1.00 0.00 C ATOM 617 C PRO A 34 -20.440 -19.500 -9.276 1.00 0.00 C ATOM 618 O PRO A 34 -21.554 -19.024 -9.061 1.00 0.00 O ATOM 619 CB PRO A 34 -19.459 -19.508 -11.582 1.00 0.00 C ATOM 620 CG PRO A 34 -18.345 -20.490 -11.494 1.00 0.00 C ATOM 621 CD PRO A 34 -17.295 -19.844 -10.632 1.00 0.00 C ATOM 0 HA PRO A 34 -19.789 -17.770 -10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.410 -20.004 -11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.298 -18.797 -12.392 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.685 -21.429 -11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.950 -20.723 -12.483 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.747 -20.581 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.561 -19.303 -11.230 1.00 0.00 H new ATOM 629 N GLU A 35 -20.011 -20.624 -8.708 1.00 0.00 N ATOM 630 CA GLU A 35 -20.846 -21.378 -7.779 1.00 0.00 C ATOM 631 C GLU A 35 -20.347 -21.220 -6.347 1.00 0.00 C ATOM 632 O GLU A 35 -20.656 -22.035 -5.478 1.00 0.00 O ATOM 633 CB GLU A 35 -20.868 -22.860 -8.165 1.00 0.00 C ATOM 634 CG GLU A 35 -21.132 -23.100 -9.642 1.00 0.00 C ATOM 635 CD GLU A 35 -20.654 -24.463 -10.103 1.00 0.00 C ATOM 636 OE1 GLU A 35 -19.432 -24.631 -10.297 1.00 0.00 O ATOM 637 OE2 GLU A 35 -21.504 -25.364 -10.271 1.00 0.00 O ATOM 0 H GLU A 35 -19.091 -21.032 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 35 -21.859 -20.981 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.912 -23.311 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.635 -23.368 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.201 -23.008 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.634 -22.327 -10.227 1.00 0.00 H new ATOM 644 N MET A 36 -19.581 -20.163 -6.110 1.00 0.00 N ATOM 645 CA MET A 36 -19.040 -19.888 -4.784 1.00 0.00 C ATOM 646 C MET A 36 -19.276 -18.432 -4.402 1.00 0.00 C ATOM 647 O MET A 36 -20.077 -17.737 -5.028 1.00 0.00 O ATOM 648 CB MET A 36 -17.541 -20.200 -4.741 1.00 0.00 C ATOM 649 CG MET A 36 -17.173 -21.524 -5.392 1.00 0.00 C ATOM 650 SD MET A 36 -16.317 -22.642 -4.266 1.00 0.00 S ATOM 651 CE MET A 36 -14.615 -22.145 -4.522 1.00 0.00 C ATOM 0 H MET A 36 -19.319 -19.480 -6.821 1.00 0.00 H new ATOM 0 HA MET A 36 -19.555 -20.528 -4.067 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.997 -19.397 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.211 -20.212 -3.702 1.00 0.00 H new ATOM 0 HG2 MET A 36 -18.079 -22.008 -5.758 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.540 -21.334 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.010 -23.023 -4.749 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.562 -21.443 -5.354 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.236 -21.666 -3.619 1.00 0.00 H new ATOM 661 N SER A 37 -18.570 -17.972 -3.376 1.00 0.00 N ATOM 662 CA SER A 37 -18.702 -16.596 -2.918 1.00 0.00 C ATOM 663 C SER A 37 -17.331 -15.967 -2.706 1.00 0.00 C ATOM 664 O SER A 37 -16.318 -16.664 -2.646 1.00 0.00 O ATOM 665 CB SER A 37 -19.507 -16.543 -1.617 1.00 0.00 C ATOM 666 OG SER A 37 -20.550 -17.502 -1.623 1.00 0.00 O ATOM 0 H SER A 37 -17.901 -18.531 -2.847 1.00 0.00 H new ATOM 0 HA SER A 37 -19.231 -16.030 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.846 -16.725 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.927 -15.546 -1.486 1.00 0.00 H new ATOM 0 HG SER A 37 -21.048 -17.449 -0.781 1.00 0.00 H new ATOM 672 N ASN A 38 -17.308 -14.644 -2.588 1.00 0.00 N ATOM 673 CA ASN A 38 -16.064 -13.913 -2.375 1.00 0.00 C ATOM 674 C ASN A 38 -15.337 -14.417 -1.133 1.00 0.00 C ATOM 675 O ASN A 38 -14.130 -14.227 -0.986 1.00 0.00 O ATOM 676 CB ASN A 38 -16.358 -12.420 -2.234 1.00 0.00 C ATOM 677 CG ASN A 38 -15.649 -11.586 -3.282 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.629 -10.958 -3.004 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.188 -11.576 -4.496 1.00 0.00 N ATOM 0 H ASN A 38 -18.139 -14.054 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.419 -14.078 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.433 -12.256 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.054 -12.086 -1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.754 -11.032 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.035 -12.112 -4.682 1.00 0.00 H new ATOM 686 N LEU A 39 -16.082 -15.057 -0.241 1.00 0.00 N ATOM 687 CA LEU A 39 -15.513 -15.586 0.991 1.00 0.00 C ATOM 688 C LEU A 39 -14.576 -16.751 0.697 1.00 0.00 C ATOM 689 O LEU A 39 -13.531 -16.897 1.329 1.00 0.00 O ATOM 690 CB LEU A 39 -16.622 -16.035 1.943 1.00 0.00 C ATOM 691 CG LEU A 39 -17.511 -14.909 2.479 1.00 0.00 C ATOM 692 CD1 LEU A 39 -18.943 -15.393 2.642 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.968 -14.387 3.800 1.00 0.00 C ATOM 0 H LEU A 39 -17.083 -15.222 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.940 -14.791 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.251 -16.760 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.167 -16.552 2.788 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.506 -14.091 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.561 -14.580 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.329 -15.719 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.968 -16.227 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.611 -13.587 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.944 -15.197 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.959 -14.002 3.652 1.00 0.00 H new ATOM 705 N ASP A 40 -14.961 -17.579 -0.269 1.00 0.00 N ATOM 706 CA ASP A 40 -14.155 -18.731 -0.651 1.00 0.00 C ATOM 707 C ASP A 40 -12.835 -18.287 -1.271 1.00 0.00 C ATOM 708 O ASP A 40 -11.762 -18.705 -0.837 1.00 0.00 O ATOM 709 CB ASP A 40 -14.928 -19.610 -1.635 1.00 0.00 C ATOM 710 CG ASP A 40 -15.844 -20.594 -0.935 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.957 -20.189 -0.538 1.00 0.00 O ATOM 712 OD2 ASP A 40 -15.450 -21.769 -0.786 1.00 0.00 O ATOM 0 H ASP A 40 -15.825 -17.473 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.935 -19.309 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.518 -18.977 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.223 -20.157 -2.261 1.00 0.00 H new ATOM 717 N LEU A 41 -12.920 -17.435 -2.288 1.00 0.00 N ATOM 718 CA LEU A 41 -11.732 -16.933 -2.965 1.00 0.00 C ATOM 719 C LEU A 41 -10.832 -16.169 -1.999 1.00 0.00 C ATOM 720 O LEU A 41 -9.610 -16.316 -2.028 1.00 0.00 O ATOM 721 CB LEU A 41 -12.128 -16.035 -4.139 1.00 0.00 C ATOM 722 CG LEU A 41 -13.310 -15.093 -3.889 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.816 -13.681 -3.613 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.263 -15.107 -5.076 1.00 0.00 C ATOM 0 H LEU A 41 -13.800 -17.078 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.174 -17.789 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.263 -15.435 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.368 -16.669 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.852 -15.444 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.669 -13.025 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.174 -13.686 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.250 -13.319 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.097 -14.432 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.734 -14.781 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.642 -16.118 -5.227 1.00 0.00 H new ATOM 736 N THR A 42 -11.440 -15.356 -1.141 1.00 0.00 N ATOM 737 CA THR A 42 -10.689 -14.573 -0.165 1.00 0.00 C ATOM 738 C THR A 42 -9.805 -15.476 0.693 1.00 0.00 C ATOM 739 O THR A 42 -8.633 -15.173 0.925 1.00 0.00 O ATOM 740 CB THR A 42 -11.649 -13.773 0.722 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.334 -12.796 -0.040 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.963 -13.060 1.868 1.00 0.00 C ATOM 0 H THR A 42 -12.450 -15.222 -1.101 1.00 0.00 H new ATOM 0 HA THR A 42 -10.045 -13.879 -0.705 1.00 0.00 H new ATOM 0 HB THR A 42 -12.336 -14.510 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.106 -13.208 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.704 -12.515 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.464 -13.791 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.226 -12.361 1.473 1.00 0.00 H new ATOM 750 N LYS A 43 -10.367 -16.588 1.153 1.00 0.00 N ATOM 751 CA LYS A 43 -9.623 -17.534 1.975 1.00 0.00 C ATOM 752 C LYS A 43 -8.431 -18.083 1.194 1.00 0.00 C ATOM 753 O LYS A 43 -7.326 -18.202 1.724 1.00 0.00 O ATOM 754 CB LYS A 43 -10.549 -18.670 2.434 1.00 0.00 C ATOM 755 CG LYS A 43 -9.874 -20.029 2.544 1.00 0.00 C ATOM 756 CD LYS A 43 -9.951 -20.793 1.232 1.00 0.00 C ATOM 757 CE LYS A 43 -10.175 -22.277 1.464 1.00 0.00 C ATOM 758 NZ LYS A 43 -11.322 -22.531 2.378 1.00 0.00 N ATOM 0 H LYS A 43 -11.334 -16.856 0.971 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.244 -17.022 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.971 -18.408 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.382 -18.748 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.830 -19.897 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.349 -20.610 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.762 -20.392 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.029 -20.647 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.356 -22.770 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.272 -22.719 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.785 -23.424 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.978 -22.595 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.006 -21.751 2.302 1.00 0.00 H new ATOM 772 N ILE A 44 -8.667 -18.408 -0.071 1.00 0.00 N ATOM 773 CA ILE A 44 -7.622 -18.940 -0.939 1.00 0.00 C ATOM 774 C ILE A 44 -6.448 -17.971 -1.034 1.00 0.00 C ATOM 775 O ILE A 44 -5.288 -18.374 -0.944 1.00 0.00 O ATOM 776 CB ILE A 44 -8.162 -19.210 -2.359 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.377 -20.135 -2.305 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.079 -19.809 -3.245 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.268 -20.019 -3.520 1.00 0.00 C ATOM 0 H ILE A 44 -9.577 -18.312 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.285 -19.878 -0.498 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.470 -18.258 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.037 -21.166 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.959 -19.907 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.483 -19.991 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.241 -19.116 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.737 -20.750 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.112 -20.702 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.636 -18.997 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.699 -20.275 -4.414 1.00 0.00 H new ATOM 791 N LEU A 45 -6.756 -16.693 -1.226 1.00 0.00 N ATOM 792 CA LEU A 45 -5.728 -15.667 -1.342 1.00 0.00 C ATOM 793 C LEU A 45 -4.995 -15.470 -0.018 1.00 0.00 C ATOM 794 O LEU A 45 -3.824 -15.090 0.002 1.00 0.00 O ATOM 795 CB LEU A 45 -6.350 -14.350 -1.802 1.00 0.00 C ATOM 796 CG LEU A 45 -6.834 -14.349 -3.251 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.703 -13.134 -3.529 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.650 -14.390 -4.203 1.00 0.00 C ATOM 0 H LEU A 45 -7.711 -16.343 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.001 -15.997 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.192 -14.114 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.617 -13.553 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.439 -15.241 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.036 -13.155 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.570 -13.148 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.127 -12.226 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.010 -14.389 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.020 -13.516 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.069 -15.295 -4.023 1.00 0.00 H new ATOM 810 N SER A 46 -5.686 -15.739 1.083 1.00 0.00 N ATOM 811 CA SER A 46 -5.094 -15.599 2.406 1.00 0.00 C ATOM 812 C SER A 46 -4.287 -16.842 2.770 1.00 0.00 C ATOM 813 O SER A 46 -3.550 -16.852 3.756 1.00 0.00 O ATOM 814 CB SER A 46 -6.180 -15.349 3.453 1.00 0.00 C ATOM 815 OG SER A 46 -5.716 -15.652 4.758 1.00 0.00 O ATOM 0 H SER A 46 -6.656 -16.055 1.085 1.00 0.00 H new ATOM 0 HA SER A 46 -4.420 -14.743 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.497 -14.307 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.055 -15.958 3.225 1.00 0.00 H new ATOM 0 HG SER A 46 -4.748 -15.804 4.734 1.00 0.00 H new ATOM 821 N LYS A 47 -4.433 -17.889 1.965 1.00 0.00 N ATOM 822 CA LYS A 47 -3.725 -19.135 2.189 1.00 0.00 C ATOM 823 C LYS A 47 -2.504 -19.230 1.278 1.00 0.00 C ATOM 824 O LYS A 47 -1.448 -19.715 1.683 1.00 0.00 O ATOM 825 CB LYS A 47 -4.671 -20.308 1.935 1.00 0.00 C ATOM 826 CG LYS A 47 -3.984 -21.664 1.939 1.00 0.00 C ATOM 827 CD LYS A 47 -3.961 -22.284 0.552 1.00 0.00 C ATOM 828 CE LYS A 47 -3.897 -23.803 0.621 1.00 0.00 C ATOM 829 NZ LYS A 47 -4.361 -24.435 -0.644 1.00 0.00 N ATOM 0 H LYS A 47 -5.041 -17.894 1.146 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.379 -19.168 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.451 -20.304 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.163 -20.164 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.964 -21.554 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.501 -22.332 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.852 -21.981 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.101 -21.907 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.873 -24.114 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.511 -24.155 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.302 -25.470 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.346 -24.158 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.759 -24.119 -1.431 1.00 0.00 H new ATOM 843 N LYS A 48 -2.658 -18.757 0.044 1.00 0.00 N ATOM 844 CA LYS A 48 -1.569 -18.782 -0.925 1.00 0.00 C ATOM 845 C LYS A 48 -0.472 -17.800 -0.533 1.00 0.00 C ATOM 846 O LYS A 48 0.705 -18.155 -0.479 1.00 0.00 O ATOM 847 CB LYS A 48 -2.094 -18.450 -2.323 1.00 0.00 C ATOM 848 CG LYS A 48 -3.004 -19.523 -2.899 1.00 0.00 C ATOM 849 CD LYS A 48 -3.813 -18.995 -4.071 1.00 0.00 C ATOM 850 CE LYS A 48 -4.083 -20.084 -5.097 1.00 0.00 C ATOM 851 NZ LYS A 48 -2.837 -20.520 -5.788 1.00 0.00 N ATOM 0 H LYS A 48 -3.526 -18.352 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.146 -19.786 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.638 -17.506 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.248 -18.303 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.405 -20.374 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.679 -19.885 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.759 -18.592 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.276 -18.173 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.543 -20.940 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.798 -19.719 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.078 -20.929 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.211 -19.701 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.351 -21.234 -5.209 1.00 0.00 H new ATOM 865 N TYR A 49 -0.866 -16.558 -0.257 1.00 0.00 N ATOM 866 CA TYR A 49 0.075 -15.518 0.132 1.00 0.00 C ATOM 867 C TYR A 49 1.016 -15.998 1.235 1.00 0.00 C ATOM 868 O TYR A 49 2.220 -15.770 1.176 1.00 0.00 O ATOM 869 CB TYR A 49 -0.687 -14.284 0.603 1.00 0.00 C ATOM 870 CG TYR A 49 0.197 -13.083 0.806 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.631 -12.334 -0.276 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.599 -12.702 2.077 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.446 -11.234 -0.098 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.413 -11.603 2.266 1.00 0.00 C ATOM 875 CZ TYR A 49 1.835 -10.871 1.176 1.00 0.00 C ATOM 876 OH TYR A 49 2.647 -9.777 1.360 1.00 0.00 O ATOM 0 H TYR A 49 -1.837 -16.250 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 49 0.680 -15.267 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.458 -14.040 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.196 -14.515 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.327 -12.615 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.270 -13.274 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.778 -10.660 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.718 -11.318 3.262 1.00 0.00 H new ATOM 0 HH TYR A 49 2.825 -9.659 2.316 1.00 0.00 H new ATOM 886 N LYS A 50 0.460 -16.661 2.241 1.00 0.00 N ATOM 887 CA LYS A 50 1.263 -17.166 3.348 1.00 0.00 C ATOM 888 C LYS A 50 1.966 -18.466 2.966 1.00 0.00 C ATOM 889 O LYS A 50 2.958 -18.851 3.587 1.00 0.00 O ATOM 890 CB LYS A 50 0.388 -17.392 4.580 1.00 0.00 C ATOM 891 CG LYS A 50 -0.468 -16.192 4.944 1.00 0.00 C ATOM 892 CD LYS A 50 0.245 -15.275 5.927 1.00 0.00 C ATOM 893 CE LYS A 50 1.517 -14.697 5.326 1.00 0.00 C ATOM 894 NZ LYS A 50 1.792 -13.324 5.829 1.00 0.00 N ATOM 0 H LYS A 50 -0.538 -16.861 2.314 1.00 0.00 H new ATOM 0 HA LYS A 50 2.022 -16.419 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.260 -18.250 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.026 -17.644 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.718 -15.635 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.408 -16.533 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.422 -14.464 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.489 -15.830 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.359 -15.347 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.428 -14.675 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.813 -13.133 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.280 -12.632 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.475 -13.246 6.817 1.00 0.00 H new ATOM 908 N GLU A 51 1.441 -19.141 1.949 1.00 0.00 N ATOM 909 CA GLU A 51 2.011 -20.403 1.491 1.00 0.00 C ATOM 910 C GLU A 51 3.369 -20.196 0.822 1.00 0.00 C ATOM 911 O GLU A 51 4.305 -20.956 1.061 1.00 0.00 O ATOM 912 CB GLU A 51 1.053 -21.096 0.520 1.00 0.00 C ATOM 913 CG GLU A 51 0.201 -22.173 1.172 1.00 0.00 C ATOM 914 CD GLU A 51 0.768 -23.565 0.967 1.00 0.00 C ATOM 915 OE1 GLU A 51 1.986 -23.680 0.722 1.00 0.00 O ATOM 916 OE2 GLU A 51 -0.010 -24.540 1.055 1.00 0.00 O ATOM 0 H GLU A 51 0.621 -18.835 1.426 1.00 0.00 H new ATOM 0 HA GLU A 51 2.159 -21.035 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.399 -20.348 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.630 -21.542 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.120 -21.971 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.808 -22.131 0.762 1.00 0.00 H new ATOM 923 N LEU A 52 3.472 -19.171 -0.023 1.00 0.00 N ATOM 924 CA LEU A 52 4.723 -18.888 -0.723 1.00 0.00 C ATOM 925 C LEU A 52 5.899 -18.833 0.245 1.00 0.00 C ATOM 926 O LEU A 52 5.762 -18.391 1.386 1.00 0.00 O ATOM 927 CB LEU A 52 4.631 -17.574 -1.507 1.00 0.00 C ATOM 928 CG LEU A 52 4.340 -16.335 -0.669 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.599 -15.496 -0.518 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.224 -15.518 -1.302 1.00 0.00 C ATOM 0 H LEU A 52 2.710 -18.528 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 52 4.892 -19.704 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.570 -17.421 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.850 -17.674 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 52 4.014 -16.650 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.378 -14.614 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.372 -16.086 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.950 -15.186 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.028 -14.636 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.523 -15.207 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.320 -16.124 -1.365 1.00 0.00 H new ATOM 942 N PRO A 53 7.080 -19.278 -0.211 1.00 0.00 N ATOM 943 CA PRO A 53 8.304 -19.284 0.600 1.00 0.00 C ATOM 944 C PRO A 53 8.857 -17.887 0.843 1.00 0.00 C ATOM 945 O PRO A 53 10.070 -17.695 0.931 1.00 0.00 O ATOM 946 CB PRO A 53 9.304 -20.049 -0.253 1.00 0.00 C ATOM 947 CG PRO A 53 8.786 -19.993 -1.649 1.00 0.00 C ATOM 948 CD PRO A 53 7.300 -19.813 -1.565 1.00 0.00 C ATOM 0 HA PRO A 53 8.111 -19.716 1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.295 -19.601 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.397 -21.080 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.243 -19.168 -2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.033 -20.908 -2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.938 -19.125 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.775 -20.757 -1.711 1.00 0.00 H new ATOM 956 N GLU A 54 7.972 -16.913 0.908 1.00 0.00 N ATOM 957 CA GLU A 54 8.365 -15.519 1.094 1.00 0.00 C ATOM 958 C GLU A 54 9.132 -15.027 -0.127 1.00 0.00 C ATOM 959 O GLU A 54 9.505 -13.855 -0.199 1.00 0.00 O ATOM 960 CB GLU A 54 9.219 -15.316 2.355 1.00 0.00 C ATOM 961 CG GLU A 54 9.295 -16.521 3.272 1.00 0.00 C ATOM 962 CD GLU A 54 9.458 -16.139 4.730 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.154 -15.139 5.007 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.893 -16.839 5.595 1.00 0.00 O ATOM 0 H GLU A 54 6.965 -17.057 0.835 1.00 0.00 H new ATOM 0 HA GLU A 54 7.450 -14.940 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.230 -15.043 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.817 -14.474 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.390 -17.118 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.132 -17.150 2.970 1.00 0.00 H new ATOM 971 N LYS A 55 9.363 -15.917 -1.093 1.00 0.00 N ATOM 972 CA LYS A 55 10.079 -15.541 -2.294 1.00 0.00 C ATOM 973 C LYS A 55 9.163 -14.765 -3.235 1.00 0.00 C ATOM 974 O LYS A 55 9.630 -13.999 -4.079 1.00 0.00 O ATOM 975 CB LYS A 55 10.636 -16.774 -3.004 1.00 0.00 C ATOM 976 CG LYS A 55 11.993 -17.216 -2.480 1.00 0.00 C ATOM 977 CD LYS A 55 13.126 -16.598 -3.282 1.00 0.00 C ATOM 978 CE LYS A 55 14.478 -16.883 -2.646 1.00 0.00 C ATOM 979 NZ LYS A 55 15.585 -16.806 -3.638 1.00 0.00 N ATOM 0 H LYS A 55 9.065 -16.892 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 55 10.914 -14.903 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.929 -17.596 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.719 -16.563 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.090 -16.932 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.065 -18.303 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.111 -16.991 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.977 -15.521 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.659 -16.168 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.465 -17.874 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.489 -17.006 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.426 -17.505 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.615 -15.852 -4.052 1.00 0.00 H new ATOM 993 N LYS A 56 7.854 -14.956 -3.074 1.00 0.00 N ATOM 994 CA LYS A 56 6.876 -14.260 -3.903 1.00 0.00 C ATOM 995 C LYS A 56 6.622 -12.867 -3.353 1.00 0.00 C ATOM 996 O LYS A 56 6.244 -11.957 -4.082 1.00 0.00 O ATOM 997 CB LYS A 56 5.562 -15.029 -3.968 1.00 0.00 C ATOM 998 CG LYS A 56 5.573 -16.171 -4.971 1.00 0.00 C ATOM 999 CD LYS A 56 4.166 -16.537 -5.419 1.00 0.00 C ATOM 1000 CE LYS A 56 3.900 -18.027 -5.266 1.00 0.00 C ATOM 1001 NZ LYS A 56 3.999 -18.745 -6.566 1.00 0.00 N ATOM 0 H LYS A 56 7.450 -15.584 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 56 7.284 -14.187 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.335 -15.427 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.759 -14.338 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.170 -15.888 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.052 -17.043 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.439 -15.975 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.028 -16.247 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.614 -18.453 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.907 -18.177 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.811 -19.757 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.300 -18.356 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.955 -18.624 -6.958 1.00 0.00 H new ATOM 1015 N LYS A 57 6.834 -12.710 -2.056 1.00 0.00 N ATOM 1016 CA LYS A 57 6.639 -11.419 -1.414 1.00 0.00 C ATOM 1017 C LYS A 57 7.862 -10.543 -1.614 1.00 0.00 C ATOM 1018 O LYS A 57 7.752 -9.334 -1.808 1.00 0.00 O ATOM 1019 CB LYS A 57 6.388 -11.593 0.080 1.00 0.00 C ATOM 1020 CG LYS A 57 5.131 -12.368 0.387 1.00 0.00 C ATOM 1021 CD LYS A 57 5.238 -13.083 1.721 1.00 0.00 C ATOM 1022 CE LYS A 57 3.996 -13.907 2.015 1.00 0.00 C ATOM 1023 NZ LYS A 57 3.605 -13.833 3.450 1.00 0.00 N ATOM 0 H LYS A 57 7.139 -13.455 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 57 5.770 -10.944 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.240 -12.104 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.324 -10.610 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.278 -11.690 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.947 -13.095 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.114 -13.732 1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.387 -12.352 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.171 -13.554 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.177 -14.946 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.423 -14.792 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.375 -13.398 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.744 -13.258 3.546 1.00 0.00 H new ATOM 1037 N MET A 58 9.031 -11.173 -1.574 1.00 0.00 N ATOM 1038 CA MET A 58 10.297 -10.471 -1.748 1.00 0.00 C ATOM 1039 C MET A 58 10.222 -9.536 -2.940 1.00 0.00 C ATOM 1040 O MET A 58 10.855 -8.480 -2.963 1.00 0.00 O ATOM 1041 CB MET A 58 11.436 -11.472 -1.931 1.00 0.00 C ATOM 1042 CG MET A 58 12.093 -11.881 -0.623 1.00 0.00 C ATOM 1043 SD MET A 58 12.999 -13.434 -0.757 1.00 0.00 S ATOM 1044 CE MET A 58 14.521 -13.012 0.087 1.00 0.00 C ATOM 0 H MET A 58 9.128 -12.177 -1.421 1.00 0.00 H new ATOM 0 HA MET A 58 10.493 -9.879 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.052 -12.362 -2.430 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.190 -11.038 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.775 -11.094 -0.302 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.329 -11.976 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.188 -13.874 0.087 1.00 0.00 H new ATOM 0 HE2 MET A 58 15.003 -12.180 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.299 -12.724 1.115 1.00 0.00 H new ATOM 1054 N LYS A 59 9.424 -9.927 -3.920 1.00 0.00 N ATOM 1055 CA LYS A 59 9.236 -9.127 -5.107 1.00 0.00 C ATOM 1056 C LYS A 59 8.198 -8.049 -4.846 1.00 0.00 C ATOM 1057 O LYS A 59 8.430 -6.869 -5.108 1.00 0.00 O ATOM 1058 CB LYS A 59 8.816 -10.010 -6.277 1.00 0.00 C ATOM 1059 CG LYS A 59 7.717 -11.006 -5.958 1.00 0.00 C ATOM 1060 CD LYS A 59 7.263 -11.752 -7.205 1.00 0.00 C ATOM 1061 CE LYS A 59 8.405 -12.519 -7.852 1.00 0.00 C ATOM 1062 NZ LYS A 59 8.860 -13.659 -7.007 1.00 0.00 N ATOM 0 H LYS A 59 8.896 -10.799 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 59 10.179 -8.645 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.482 -9.371 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.689 -10.556 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.075 -11.719 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.868 -10.484 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.463 -12.444 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.849 -11.043 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.085 -12.893 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.241 -11.843 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.672 -14.124 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.141 -13.306 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.084 -14.343 -6.900 1.00 0.00 H new ATOM 1076 N TYR A 60 7.055 -8.462 -4.309 1.00 0.00 N ATOM 1077 CA TYR A 60 5.985 -7.523 -3.991 1.00 0.00 C ATOM 1078 C TYR A 60 6.487 -6.422 -3.060 1.00 0.00 C ATOM 1079 O TYR A 60 6.211 -5.242 -3.282 1.00 0.00 O ATOM 1080 CB TYR A 60 4.812 -8.246 -3.338 1.00 0.00 C ATOM 1081 CG TYR A 60 4.255 -9.377 -4.169 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.069 -9.232 -5.538 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.915 -10.589 -3.586 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.561 -10.264 -6.301 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.407 -11.626 -4.341 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.233 -11.460 -5.699 1.00 0.00 C ATOM 1087 OH TYR A 60 2.728 -12.491 -6.456 1.00 0.00 O ATOM 0 H TYR A 60 6.846 -9.435 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 60 5.651 -7.071 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.131 -8.640 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.017 -7.526 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.326 -8.297 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.050 -10.723 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.421 -10.135 -7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.147 -12.563 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 60 1.776 -12.610 -6.254 1.00 0.00 H new ATOM 1097 N ILE A 61 7.228 -6.805 -2.018 1.00 0.00 N ATOM 1098 CA ILE A 61 7.761 -5.829 -1.072 1.00 0.00 C ATOM 1099 C ILE A 61 8.565 -4.764 -1.805 1.00 0.00 C ATOM 1100 O ILE A 61 8.584 -3.600 -1.408 1.00 0.00 O ATOM 1101 CB ILE A 61 8.662 -6.466 0.011 1.00 0.00 C ATOM 1102 CG1 ILE A 61 8.118 -7.818 0.496 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.809 -5.510 1.184 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.606 -7.934 0.477 1.00 0.00 C ATOM 0 H ILE A 61 7.469 -7.774 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 61 6.897 -5.388 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 61 9.638 -6.652 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.538 -8.608 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.470 -7.993 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.445 -5.963 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.261 -4.579 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.827 -5.301 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.312 -8.921 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.174 -7.170 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.243 -7.795 -0.541 1.00 0.00 H new ATOM 1116 N GLN A 62 9.213 -5.173 -2.891 1.00 0.00 N ATOM 1117 CA GLN A 62 10.003 -4.255 -3.696 1.00 0.00 C ATOM 1118 C GLN A 62 9.078 -3.359 -4.505 1.00 0.00 C ATOM 1119 O GLN A 62 9.445 -2.247 -4.884 1.00 0.00 O ATOM 1120 CB GLN A 62 10.941 -5.025 -4.627 1.00 0.00 C ATOM 1121 CG GLN A 62 12.233 -5.468 -3.958 1.00 0.00 C ATOM 1122 CD GLN A 62 13.466 -5.060 -4.742 1.00 0.00 C ATOM 1123 OE1 GLN A 62 13.432 -4.112 -5.528 1.00 0.00 O ATOM 1124 NE2 GLN A 62 14.565 -5.776 -4.531 1.00 0.00 N ATOM 0 H GLN A 62 9.205 -6.134 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 62 10.611 -3.639 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.420 -5.903 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.182 -4.398 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.285 -5.039 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.224 -6.552 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.548 -6.553 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.425 -5.548 -5.029 1.00 0.00 H new ATOM 1133 N ASP A 63 7.866 -3.848 -4.757 1.00 0.00 N ATOM 1134 CA ASP A 63 6.879 -3.087 -5.504 1.00 0.00 C ATOM 1135 C ASP A 63 6.131 -2.143 -4.571 1.00 0.00 C ATOM 1136 O ASP A 63 5.709 -1.057 -4.970 1.00 0.00 O ATOM 1137 CB ASP A 63 5.893 -4.028 -6.199 1.00 0.00 C ATOM 1138 CG ASP A 63 6.370 -4.452 -7.574 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.166 -3.684 -8.537 1.00 0.00 O ATOM 1140 OD2 ASP A 63 6.948 -5.554 -7.686 1.00 0.00 O ATOM 0 H ASP A 63 7.548 -4.768 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 63 7.395 -2.500 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.742 -4.913 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.926 -3.534 -6.289 1.00 0.00 H new ATOM 1145 N PHE A 64 5.978 -2.569 -3.322 1.00 0.00 N ATOM 1146 CA PHE A 64 5.289 -1.775 -2.315 1.00 0.00 C ATOM 1147 C PHE A 64 6.219 -0.699 -1.753 1.00 0.00 C ATOM 1148 O PHE A 64 5.772 0.378 -1.358 1.00 0.00 O ATOM 1149 CB PHE A 64 4.773 -2.695 -1.195 1.00 0.00 C ATOM 1150 CG PHE A 64 5.047 -2.200 0.198 1.00 0.00 C ATOM 1151 CD1 PHE A 64 4.183 -1.311 0.814 1.00 0.00 C ATOM 1152 CD2 PHE A 64 6.169 -2.628 0.888 1.00 0.00 C ATOM 1153 CE1 PHE A 64 4.433 -0.856 2.095 1.00 0.00 C ATOM 1154 CE2 PHE A 64 6.425 -2.177 2.169 1.00 0.00 C ATOM 1155 CZ PHE A 64 5.556 -1.290 2.774 1.00 0.00 C ATOM 0 H PHE A 64 6.325 -3.466 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 64 4.438 -1.273 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.697 -2.824 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.227 -3.679 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.304 -0.969 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.851 -3.322 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.752 -0.162 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.304 -2.518 2.697 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.754 -0.936 3.775 1.00 0.00 H new ATOM 1165 N GLN A 65 7.514 -1.002 -1.719 1.00 0.00 N ATOM 1166 CA GLN A 65 8.507 -0.066 -1.204 1.00 0.00 C ATOM 1167 C GLN A 65 8.911 0.950 -2.268 1.00 0.00 C ATOM 1168 O GLN A 65 8.936 2.155 -2.011 1.00 0.00 O ATOM 1169 CB GLN A 65 9.743 -0.822 -0.712 1.00 0.00 C ATOM 1170 CG GLN A 65 9.486 -1.666 0.526 1.00 0.00 C ATOM 1171 CD GLN A 65 10.304 -1.216 1.721 1.00 0.00 C ATOM 1172 OE1 GLN A 65 10.183 -0.078 2.177 1.00 0.00 O ATOM 1173 NE2 GLN A 65 11.142 -2.107 2.235 1.00 0.00 N ATOM 0 H GLN A 65 7.900 -1.889 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 65 8.058 0.472 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.107 -1.467 -1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.535 -0.105 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.427 -1.621 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.717 -2.708 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.210 -3.039 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.718 -1.860 3.040 1.00 0.00 H new ATOM 1182 N ARG A 66 9.227 0.460 -3.464 1.00 0.00 N ATOM 1183 CA ARG A 66 9.630 1.331 -4.564 1.00 0.00 C ATOM 1184 C ARG A 66 8.604 2.437 -4.791 1.00 0.00 C ATOM 1185 O ARG A 66 8.951 3.548 -5.192 1.00 0.00 O ATOM 1186 CB ARG A 66 9.809 0.521 -5.849 1.00 0.00 C ATOM 1187 CG ARG A 66 11.199 -0.073 -6.007 1.00 0.00 C ATOM 1188 CD ARG A 66 11.673 -0.007 -7.449 1.00 0.00 C ATOM 1189 NE ARG A 66 12.469 1.189 -7.710 1.00 0.00 N ATOM 1190 CZ ARG A 66 13.257 1.339 -8.772 1.00 0.00 C ATOM 1191 NH1 ARG A 66 13.356 0.371 -9.675 1.00 0.00 N ATOM 1192 NH2 ARG A 66 13.946 2.460 -8.931 1.00 0.00 N ATOM 0 H ARG A 66 9.212 -0.533 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 66 10.581 1.790 -4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.075 -0.285 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.598 1.162 -6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.900 0.464 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.193 -1.110 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.265 -0.893 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.810 -0.021 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 66 12.418 1.955 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.827 -0.493 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.961 0.491 -10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.872 3.206 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.550 2.576 -9.744 1.00 0.00 H new ATOM 1206 N GLU A 67 7.340 2.124 -4.528 1.00 0.00 N ATOM 1207 CA GLU A 67 6.262 3.091 -4.703 1.00 0.00 C ATOM 1208 C GLU A 67 6.289 4.140 -3.596 1.00 0.00 C ATOM 1209 O GLU A 67 6.051 5.320 -3.842 1.00 0.00 O ATOM 1210 CB GLU A 67 4.908 2.379 -4.712 1.00 0.00 C ATOM 1211 CG GLU A 67 4.487 1.893 -6.088 1.00 0.00 C ATOM 1212 CD GLU A 67 3.058 1.384 -6.115 1.00 0.00 C ATOM 1213 OE1 GLU A 67 2.132 2.217 -6.218 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.864 0.153 -6.031 1.00 0.00 O ATOM 0 H GLU A 67 7.037 1.209 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 67 6.408 3.593 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.950 1.528 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.147 3.058 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.592 2.707 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.159 1.097 -6.409 1.00 0.00 H new ATOM 1221 N LYS A 68 6.577 3.703 -2.378 1.00 0.00 N ATOM 1222 CA LYS A 68 6.629 4.611 -1.237 1.00 0.00 C ATOM 1223 C LYS A 68 7.736 5.649 -1.401 1.00 0.00 C ATOM 1224 O LYS A 68 7.739 6.676 -0.721 1.00 0.00 O ATOM 1225 CB LYS A 68 6.839 3.821 0.057 1.00 0.00 C ATOM 1226 CG LYS A 68 5.581 3.693 0.903 1.00 0.00 C ATOM 1227 CD LYS A 68 5.808 4.191 2.322 1.00 0.00 C ATOM 1228 CE LYS A 68 6.100 5.683 2.348 1.00 0.00 C ATOM 1229 NZ LYS A 68 5.958 6.254 3.716 1.00 0.00 N ATOM 0 H LYS A 68 6.778 2.729 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 68 5.677 5.139 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.203 2.824 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.616 4.307 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.773 4.261 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.264 2.651 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.927 3.981 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.640 3.648 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.112 5.861 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.421 6.197 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.166 7.273 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.986 6.107 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.624 5.781 4.360 1.00 0.00 H new