USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 32 GLN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.694 K(o=-0.69,f=-0.012) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0522 (180deg=-0.34) USER MOD Single : A 33 SER OG : rot -140:sc= -0.0626 USER MOD Single : A 34 SER OG : rot 67:sc= -0.0185 USER MOD Single : A 41 ASN : amide:sc= -0.726 K(o=-0.73,f=-9.7!) USER MOD Single : A 44 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.5) USER MOD Single : A 47 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.6!) USER MOD Single : A 50 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.022) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc=-0.00935 (180deg=-0.0939) USER MOD Single : A 53 GLN : amide:sc= 0.425 K(o=0.43,f=-0.11) USER MOD Single : A 58 SER OG : rot 110:sc= -0.187 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.0131 (180deg=-0.178) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 99:sc= -2.23! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 28:sc= 0.231 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -24:sc= 0.191 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0205 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 16.871 7.774 5.237 1.00 42.14 N ATOM 262 CA GLN A 19 15.494 8.164 5.562 1.00 4.40 C ATOM 263 C GLN A 19 14.841 7.147 6.524 1.00 1.22 C ATOM 264 O GLN A 19 15.219 5.971 6.560 1.00 20.50 O ATOM 265 CB GLN A 19 14.660 8.286 4.276 1.00 12.44 C ATOM 266 CG GLN A 19 15.252 9.235 3.232 1.00 52.31 C ATOM 267 CD GLN A 19 15.361 10.676 3.715 1.00 43.02 C ATOM 268 OE1 GLN A 19 16.274 11.400 3.341 1.00 10.22 O ATOM 269 NE2 GLN A 19 14.414 11.112 4.522 1.00 24.54 N ATOM 0 HA GLN A 19 15.525 9.133 6.061 1.00 4.40 H new ATOM 0 HB2 GLN A 19 14.552 7.297 3.831 1.00 12.44 H new ATOM 0 HB3 GLN A 19 13.659 8.630 4.537 1.00 12.44 H new ATOM 0 HG2 GLN A 19 16.242 8.879 2.949 1.00 52.31 H new ATOM 0 HG3 GLN A 19 14.634 9.206 2.334 1.00 52.31 H new ATOM 0 HE21 GLN A 19 13.666 10.484 4.816 1.00 24.54 H new ATOM 0 HE22 GLN A 19 14.430 12.077 4.852 1.00 24.54 H new ATOM 278 N ALA A 20 13.872 7.612 7.311 1.00 4.42 N ATOM 279 CA ALA A 20 13.138 6.745 8.243 1.00 13.31 C ATOM 280 C ALA A 20 11.665 6.594 7.824 1.00 24.35 C ATOM 281 O ALA A 20 10.972 7.587 7.597 1.00 0.13 O ATOM 282 CB ALA A 20 13.233 7.299 9.662 1.00 60.02 C ATOM 0 H ALA A 20 13.573 8.587 7.325 1.00 4.42 H new ATOM 0 HA ALA A 20 13.595 5.756 8.216 1.00 13.31 H new ATOM 0 HB1 ALA A 20 12.685 6.648 10.344 1.00 60.02 H new ATOM 0 HB2 ALA A 20 14.279 7.345 9.965 1.00 60.02 H new ATOM 0 HB3 ALA A 20 12.803 8.300 9.691 1.00 60.02 H new ATOM 288 N PHE A 21 11.198 5.349 7.734 1.00 53.30 N ATOM 289 CA PHE A 21 9.811 5.050 7.345 1.00 51.40 C ATOM 290 C PHE A 21 8.830 5.292 8.505 1.00 5.24 C ATOM 291 O PHE A 21 8.883 4.594 9.517 1.00 5.43 O ATOM 292 CB PHE A 21 9.696 3.584 6.895 1.00 43.24 C ATOM 293 CG PHE A 21 10.405 3.272 5.602 1.00 50.31 C ATOM 294 CD1 PHE A 21 9.903 3.733 4.394 1.00 1.33 C ATOM 295 CD2 PHE A 21 11.572 2.520 5.593 1.00 71.51 C ATOM 296 CE1 PHE A 21 10.546 3.446 3.207 1.00 12.24 C ATOM 297 CE2 PHE A 21 12.219 2.231 4.408 1.00 43.14 C ATOM 298 CZ PHE A 21 11.704 2.696 3.213 1.00 11.54 C ATOM 0 H PHE A 21 11.762 4.521 7.926 1.00 53.30 H new ATOM 0 HA PHE A 21 9.551 5.720 6.525 1.00 51.40 H new ATOM 0 HB2 PHE A 21 10.098 2.943 7.680 1.00 43.24 H new ATOM 0 HB3 PHE A 21 8.641 3.332 6.787 1.00 43.24 H new ATOM 0 HD1 PHE A 21 8.999 4.323 4.382 1.00 1.33 H new ATOM 0 HD2 PHE A 21 11.979 2.156 6.525 1.00 71.51 H new ATOM 0 HE1 PHE A 21 10.143 3.809 2.273 1.00 12.24 H new ATOM 0 HE2 PHE A 21 13.125 1.643 4.415 1.00 43.14 H new ATOM 0 HZ PHE A 21 12.208 2.472 2.284 1.00 11.54 H new ATOM 308 N PRO A 22 7.915 6.276 8.388 1.00 61.44 N ATOM 309 CA PRO A 22 6.875 6.477 9.401 1.00 24.33 C ATOM 310 C PRO A 22 5.744 5.443 9.258 1.00 2.14 C ATOM 311 O PRO A 22 4.838 5.602 8.441 1.00 23.14 O ATOM 312 CB PRO A 22 6.372 7.899 9.105 1.00 51.12 C ATOM 313 CG PRO A 22 6.617 8.095 7.641 1.00 34.22 C ATOM 314 CD PRO A 22 7.828 7.260 7.288 1.00 21.23 C ATOM 0 HA PRO A 22 7.243 6.356 10.420 1.00 24.33 H new ATOM 0 HB2 PRO A 22 5.314 8.002 9.346 1.00 51.12 H new ATOM 0 HB3 PRO A 22 6.908 8.640 9.698 1.00 51.12 H new ATOM 0 HG2 PRO A 22 5.750 7.785 7.058 1.00 34.22 H new ATOM 0 HG3 PRO A 22 6.793 9.147 7.415 1.00 34.22 H new ATOM 0 HD2 PRO A 22 7.707 6.770 6.322 1.00 21.23 H new ATOM 0 HD3 PRO A 22 8.729 7.870 7.225 1.00 21.23 H new ATOM 322 N ARG A 23 5.795 4.387 10.067 1.00 33.44 N ATOM 323 CA ARG A 23 4.855 3.270 9.921 1.00 60.11 C ATOM 324 C ARG A 23 3.484 3.593 10.527 1.00 1.12 C ATOM 325 O ARG A 23 2.467 3.087 10.069 1.00 4.14 O ATOM 326 CB ARG A 23 5.432 1.995 10.558 1.00 15.34 C ATOM 327 CG ARG A 23 5.588 2.066 12.077 1.00 33.23 C ATOM 328 CD ARG A 23 6.255 0.812 12.643 1.00 12.01 C ATOM 329 NE ARG A 23 6.348 0.847 14.104 1.00 33.02 N ATOM 330 CZ ARG A 23 7.058 0.012 14.818 1.00 34.42 C ATOM 331 NH1 ARG A 23 7.789 -0.898 14.250 1.00 71.34 N ATOM 332 NH2 ARG A 23 7.051 0.098 16.110 1.00 24.31 N ATOM 0 H ARG A 23 6.469 4.278 10.825 1.00 33.44 H new ATOM 0 HA ARG A 23 4.712 3.102 8.854 1.00 60.11 H new ATOM 0 HB2 ARG A 23 4.785 1.154 10.310 1.00 15.34 H new ATOM 0 HB3 ARG A 23 6.406 1.790 10.114 1.00 15.34 H new ATOM 0 HG2 ARG A 23 6.181 2.942 12.340 1.00 33.23 H new ATOM 0 HG3 ARG A 23 4.608 2.194 12.537 1.00 33.23 H new ATOM 0 HD2 ARG A 23 5.689 -0.068 12.338 1.00 12.01 H new ATOM 0 HD3 ARG A 23 7.254 0.711 12.219 1.00 12.01 H new ATOM 0 HE ARG A 23 5.825 1.570 14.597 1.00 33.02 H new ATOM 0 HH11 ARG A 23 7.815 -0.969 13.233 1.00 71.34 H new ATOM 0 HH12 ARG A 23 8.337 -1.542 14.821 1.00 71.34 H new ATOM 0 HH21 ARG A 23 6.492 0.816 16.570 1.00 24.31 H new ATOM 0 HH22 ARG A 23 7.604 -0.553 16.667 1.00 24.31 H new ATOM 346 N LYS A 24 3.465 4.453 11.543 1.00 14.01 N ATOM 347 CA LYS A 24 2.224 4.793 12.250 1.00 53.34 C ATOM 348 C LYS A 24 1.126 5.297 11.296 1.00 4.32 C ATOM 349 O LYS A 24 0.079 4.663 11.160 1.00 72.21 O ATOM 350 CB LYS A 24 2.506 5.837 13.338 1.00 21.30 C ATOM 351 CG LYS A 24 3.478 5.352 14.410 1.00 41.35 C ATOM 352 CD LYS A 24 3.689 6.397 15.500 1.00 22.51 C ATOM 353 CE LYS A 24 4.595 5.880 16.610 1.00 13.54 C ATOM 354 NZ LYS A 24 4.032 4.670 17.270 1.00 50.31 N ATOM 0 H LYS A 24 4.294 4.930 11.898 1.00 14.01 H new ATOM 0 HA LYS A 24 1.852 3.878 12.712 1.00 53.34 H new ATOM 0 HB2 LYS A 24 2.910 6.736 12.872 1.00 21.30 H new ATOM 0 HB3 LYS A 24 1.566 6.119 13.812 1.00 21.30 H new ATOM 0 HG2 LYS A 24 3.097 4.433 14.856 1.00 41.35 H new ATOM 0 HG3 LYS A 24 4.436 5.110 13.949 1.00 41.35 H new ATOM 0 HD2 LYS A 24 4.125 7.295 15.063 1.00 22.51 H new ATOM 0 HD3 LYS A 24 2.725 6.683 15.921 1.00 22.51 H new ATOM 0 HE2 LYS A 24 5.576 5.645 16.197 1.00 13.54 H new ATOM 0 HE3 LYS A 24 4.741 6.664 17.353 1.00 13.54 H new ATOM 0 HZ1 LYS A 24 4.520 4.509 18.174 1.00 50.31 H new ATOM 0 HZ2 LYS A 24 3.017 4.811 17.445 1.00 50.31 H new ATOM 0 HZ3 LYS A 24 4.166 3.844 16.653 1.00 50.31 H new ATOM 368 N PHE A 25 1.379 6.423 10.628 1.00 44.03 N ATOM 369 CA PHE A 25 0.392 7.029 9.720 1.00 32.04 C ATOM 370 C PHE A 25 0.065 6.119 8.522 1.00 74.22 C ATOM 371 O PHE A 25 -1.098 5.969 8.144 1.00 1.24 O ATOM 372 CB PHE A 25 0.894 8.391 9.216 1.00 3.04 C ATOM 373 CG PHE A 25 1.059 9.418 10.310 1.00 31.52 C ATOM 374 CD1 PHE A 25 -0.005 10.229 10.683 1.00 5.34 C ATOM 375 CD2 PHE A 25 2.272 9.567 10.969 1.00 43.04 C ATOM 376 CE1 PHE A 25 0.140 11.167 11.688 1.00 23.13 C ATOM 377 CE2 PHE A 25 2.420 10.505 11.973 1.00 53.43 C ATOM 378 CZ PHE A 25 1.353 11.305 12.333 1.00 74.23 C ATOM 0 H PHE A 25 2.257 6.937 10.695 1.00 44.03 H new ATOM 0 HA PHE A 25 -0.526 7.165 10.292 1.00 32.04 H new ATOM 0 HB2 PHE A 25 1.851 8.252 8.712 1.00 3.04 H new ATOM 0 HB3 PHE A 25 0.195 8.774 8.472 1.00 3.04 H new ATOM 0 HD1 PHE A 25 -0.956 10.126 10.182 1.00 5.34 H new ATOM 0 HD2 PHE A 25 3.109 8.943 10.694 1.00 43.04 H new ATOM 0 HE1 PHE A 25 -0.695 11.792 11.969 1.00 23.13 H new ATOM 0 HE2 PHE A 25 3.370 10.613 12.476 1.00 53.43 H new ATOM 0 HZ PHE A 25 1.467 12.038 13.118 1.00 74.23 H new ATOM 388 N VAL A 26 1.089 5.510 7.928 1.00 42.33 N ATOM 389 CA VAL A 26 0.897 4.654 6.750 1.00 2.14 C ATOM 390 C VAL A 26 0.064 3.400 7.084 1.00 61.40 C ATOM 391 O VAL A 26 -0.878 3.059 6.365 1.00 62.40 O ATOM 392 CB VAL A 26 2.251 4.233 6.127 1.00 0.45 C ATOM 393 CG1 VAL A 26 2.028 3.431 4.850 1.00 23.42 C ATOM 394 CG2 VAL A 26 3.129 5.455 5.850 1.00 73.24 C ATOM 0 H VAL A 26 2.057 5.590 8.238 1.00 42.33 H new ATOM 0 HA VAL A 26 0.347 5.248 6.020 1.00 2.14 H new ATOM 0 HB VAL A 26 2.771 3.599 6.845 1.00 0.45 H new ATOM 0 HG11 VAL A 26 2.991 3.145 4.427 1.00 23.42 H new ATOM 0 HG12 VAL A 26 1.451 2.535 5.079 1.00 23.42 H new ATOM 0 HG13 VAL A 26 1.482 4.039 4.129 1.00 23.42 H new ATOM 0 HG21 VAL A 26 4.074 5.132 5.413 1.00 73.24 H new ATOM 0 HG22 VAL A 26 2.617 6.121 5.156 1.00 73.24 H new ATOM 0 HG23 VAL A 26 3.323 5.983 6.784 1.00 73.24 H new ATOM 404 N LEU A 27 0.410 2.723 8.179 1.00 65.45 N ATOM 405 CA LEU A 27 -0.361 1.562 8.645 1.00 51.11 C ATOM 406 C LEU A 27 -1.774 1.975 9.080 1.00 15.44 C ATOM 407 O LEU A 27 -2.731 1.229 8.880 1.00 33.32 O ATOM 408 CB LEU A 27 0.365 0.851 9.798 1.00 53.05 C ATOM 409 CG LEU A 27 1.681 0.146 9.417 1.00 44.44 C ATOM 410 CD1 LEU A 27 2.351 -0.452 10.652 1.00 41.12 C ATOM 411 CD2 LEU A 27 1.431 -0.933 8.364 1.00 11.21 C ATOM 0 H LEU A 27 1.215 2.954 8.760 1.00 65.45 H new ATOM 0 HA LEU A 27 -0.450 0.867 7.810 1.00 51.11 H new ATOM 0 HB2 LEU A 27 0.577 1.583 10.577 1.00 53.05 H new ATOM 0 HB3 LEU A 27 -0.311 0.113 10.230 1.00 53.05 H new ATOM 0 HG LEU A 27 2.354 0.890 8.990 1.00 44.44 H new ATOM 0 HD11 LEU A 27 3.278 -0.945 10.360 1.00 41.12 H new ATOM 0 HD12 LEU A 27 2.571 0.341 11.367 1.00 41.12 H new ATOM 0 HD13 LEU A 27 1.683 -1.180 11.112 1.00 41.12 H new ATOM 0 HD21 LEU A 27 2.373 -1.418 8.109 1.00 11.21 H new ATOM 0 HD22 LEU A 27 0.737 -1.674 8.760 1.00 11.21 H new ATOM 0 HD23 LEU A 27 1.004 -0.477 7.470 1.00 11.21 H new ATOM 423 N ALA A 28 -1.896 3.168 9.670 1.00 63.32 N ATOM 424 CA ALA A 28 -3.207 3.724 10.038 1.00 13.00 C ATOM 425 C ALA A 28 -4.090 3.908 8.797 1.00 14.44 C ATOM 426 O ALA A 28 -5.298 3.671 8.830 1.00 50.10 O ATOM 427 CB ALA A 28 -3.036 5.053 10.772 1.00 75.54 C ATOM 0 H ALA A 28 -1.105 3.769 9.904 1.00 63.32 H new ATOM 0 HA ALA A 28 -3.701 3.018 10.706 1.00 13.00 H new ATOM 0 HB1 ALA A 28 -4.016 5.451 11.037 1.00 75.54 H new ATOM 0 HB2 ALA A 28 -2.451 4.896 11.678 1.00 75.54 H new ATOM 0 HB3 ALA A 28 -2.519 5.762 10.125 1.00 75.54 H new ATOM 433 N ALA A 29 -3.473 4.339 7.701 1.00 32.11 N ATOM 434 CA ALA A 29 -4.163 4.442 6.415 1.00 53.25 C ATOM 435 C ALA A 29 -4.541 3.056 5.878 1.00 74.43 C ATOM 436 O ALA A 29 -5.673 2.826 5.453 1.00 15.34 O ATOM 437 CB ALA A 29 -3.288 5.176 5.407 1.00 23.25 C ATOM 0 H ALA A 29 -2.494 4.624 7.676 1.00 32.11 H new ATOM 0 HA ALA A 29 -5.082 5.008 6.568 1.00 53.25 H new ATOM 0 HB1 ALA A 29 -3.812 5.247 4.454 1.00 23.25 H new ATOM 0 HB2 ALA A 29 -3.070 6.178 5.776 1.00 23.25 H new ATOM 0 HB3 ALA A 29 -2.355 4.629 5.269 1.00 23.25 H new ATOM 443 N LEU A 30 -3.581 2.136 5.920 1.00 14.11 N ATOM 444 CA LEU A 30 -3.779 0.765 5.440 1.00 73.40 C ATOM 445 C LEU A 30 -4.939 0.064 6.168 1.00 61.24 C ATOM 446 O LEU A 30 -5.902 -0.372 5.538 1.00 34.01 O ATOM 447 CB LEU A 30 -2.476 -0.035 5.613 1.00 32.02 C ATOM 448 CG LEU A 30 -2.519 -1.504 5.150 1.00 74.24 C ATOM 449 CD1 LEU A 30 -2.921 -1.609 3.681 1.00 43.32 C ATOM 450 CD2 LEU A 30 -1.167 -2.177 5.384 1.00 2.44 C ATOM 0 H LEU A 30 -2.646 2.316 6.286 1.00 14.11 H new ATOM 0 HA LEU A 30 -4.043 0.812 4.383 1.00 73.40 H new ATOM 0 HB2 LEU A 30 -1.684 0.475 5.064 1.00 32.02 H new ATOM 0 HB3 LEU A 30 -2.198 -0.015 6.667 1.00 32.02 H new ATOM 0 HG LEU A 30 -3.274 -2.021 5.742 1.00 74.24 H new ATOM 0 HD11 LEU A 30 -2.942 -2.657 3.384 1.00 43.32 H new ATOM 0 HD12 LEU A 30 -3.910 -1.172 3.542 1.00 43.32 H new ATOM 0 HD13 LEU A 30 -2.198 -1.072 3.067 1.00 43.32 H new ATOM 0 HD21 LEU A 30 -1.214 -3.214 5.052 1.00 2.44 H new ATOM 0 HD22 LEU A 30 -0.396 -1.650 4.821 1.00 2.44 H new ATOM 0 HD23 LEU A 30 -0.925 -2.147 6.446 1.00 2.44 H new ATOM 462 N GLU A 31 -4.855 -0.018 7.495 1.00 30.41 N ATOM 463 CA GLU A 31 -5.876 -0.714 8.291 1.00 73.31 C ATOM 464 C GLU A 31 -7.280 -0.127 8.066 1.00 54.34 C ATOM 465 O GLU A 31 -8.270 -0.858 8.070 1.00 42.41 O ATOM 466 CB GLU A 31 -5.524 -0.665 9.784 1.00 24.15 C ATOM 467 CG GLU A 31 -5.589 0.731 10.397 1.00 61.44 C ATOM 468 CD GLU A 31 -5.402 0.717 11.905 1.00 72.03 C ATOM 469 OE1 GLU A 31 -6.287 0.179 12.608 1.00 30.24 O ATOM 470 OE2 GLU A 31 -4.386 1.253 12.398 1.00 72.21 O ATOM 0 H GLU A 31 -4.096 0.386 8.044 1.00 30.41 H new ATOM 0 HA GLU A 31 -5.889 -1.752 7.958 1.00 73.31 H new ATOM 0 HB2 GLU A 31 -6.204 -1.320 10.328 1.00 24.15 H new ATOM 0 HB3 GLU A 31 -4.519 -1.064 9.922 1.00 24.15 H new ATOM 0 HG2 GLU A 31 -4.820 1.358 9.945 1.00 61.44 H new ATOM 0 HG3 GLU A 31 -6.551 1.184 10.158 1.00 61.44 H new ATOM 477 N GLN A 32 -7.358 1.191 7.876 1.00 12.24 N ATOM 478 CA GLN A 32 -8.639 1.863 7.618 1.00 23.13 C ATOM 479 C GLN A 32 -9.088 1.697 6.156 1.00 72.24 C ATOM 480 O GLN A 32 -10.262 1.875 5.832 1.00 2.43 O ATOM 481 CB GLN A 32 -8.536 3.354 7.972 1.00 22.51 C ATOM 482 CG GLN A 32 -8.364 3.618 9.467 1.00 44.31 C ATOM 483 CD GLN A 32 -8.369 5.099 9.813 1.00 71.43 C ATOM 484 OE1 GLN A 32 -9.415 5.684 10.084 1.00 11.53 O ATOM 485 NE2 GLN A 32 -7.204 5.718 9.812 1.00 41.24 N ATOM 0 H GLN A 32 -6.552 1.816 7.895 1.00 12.24 H new ATOM 0 HA GLN A 32 -9.391 1.392 8.251 1.00 23.13 H new ATOM 0 HB2 GLN A 32 -7.693 3.789 7.436 1.00 22.51 H new ATOM 0 HB3 GLN A 32 -9.433 3.865 7.622 1.00 22.51 H new ATOM 0 HG2 GLN A 32 -9.165 3.120 10.013 1.00 44.31 H new ATOM 0 HG3 GLN A 32 -7.426 3.175 9.803 1.00 44.31 H new ATOM 0 HE21 GLN A 32 -6.353 5.204 9.583 1.00 41.24 H new ATOM 0 HE22 GLN A 32 -7.154 6.711 10.041 1.00 41.24 H new ATOM 494 N SER A 33 -8.144 1.366 5.278 1.00 12.31 N ATOM 495 CA SER A 33 -8.438 1.150 3.851 1.00 12.12 C ATOM 496 C SER A 33 -8.789 -0.321 3.569 1.00 52.44 C ATOM 497 O SER A 33 -9.459 -0.637 2.580 1.00 42.22 O ATOM 498 CB SER A 33 -7.234 1.572 2.996 1.00 60.51 C ATOM 499 OG SER A 33 -7.523 1.494 1.611 1.00 0.01 O ATOM 0 H SER A 33 -7.162 1.239 5.525 1.00 12.31 H new ATOM 0 HA SER A 33 -9.302 1.761 3.589 1.00 12.12 H new ATOM 0 HB2 SER A 33 -6.946 2.592 3.251 1.00 60.51 H new ATOM 0 HB3 SER A 33 -6.382 0.933 3.227 1.00 60.51 H new ATOM 0 HG SER A 33 -6.744 1.140 1.134 1.00 0.01 H new ATOM 505 N SER A 34 -8.350 -1.212 4.458 1.00 63.33 N ATOM 506 CA SER A 34 -8.590 -2.655 4.309 1.00 61.41 C ATOM 507 C SER A 34 -10.060 -3.026 4.540 1.00 31.14 C ATOM 508 O SER A 34 -10.732 -2.457 5.404 1.00 74.02 O ATOM 509 CB SER A 34 -7.708 -3.452 5.286 1.00 25.14 C ATOM 510 OG SER A 34 -6.330 -3.336 4.968 1.00 52.40 O ATOM 0 H SER A 34 -7.823 -0.962 5.295 1.00 63.33 H new ATOM 0 HA SER A 34 -8.333 -2.912 3.281 1.00 61.41 H new ATOM 0 HB2 SER A 34 -7.878 -3.096 6.302 1.00 25.14 H new ATOM 0 HB3 SER A 34 -7.999 -4.502 5.264 1.00 25.14 H new ATOM 0 HG SER A 34 -6.036 -2.414 5.120 1.00 52.40 H new ATOM 516 N ASP A 35 -10.552 -3.987 3.759 1.00 70.21 N ATOM 517 CA ASP A 35 -11.916 -4.504 3.921 1.00 74.40 C ATOM 518 C ASP A 35 -12.044 -5.343 5.206 1.00 3.51 C ATOM 519 O ASP A 35 -11.092 -5.463 5.980 1.00 4.42 O ATOM 520 CB ASP A 35 -12.301 -5.366 2.713 1.00 3.02 C ATOM 521 CG ASP A 35 -12.179 -4.624 1.392 1.00 54.43 C ATOM 522 OD1 ASP A 35 -12.741 -3.515 1.274 1.00 23.13 O ATOM 523 OD2 ASP A 35 -11.548 -5.159 0.455 1.00 61.13 O ATOM 0 H ASP A 35 -10.026 -4.427 3.004 1.00 70.21 H new ATOM 0 HA ASP A 35 -12.589 -3.650 3.993 1.00 74.40 H new ATOM 0 HB2 ASP A 35 -11.664 -6.250 2.687 1.00 3.02 H new ATOM 0 HB3 ASP A 35 -13.327 -5.715 2.834 1.00 3.02 H new ATOM 528 N ASP A 36 -13.221 -5.936 5.424 1.00 4.32 N ATOM 529 CA ASP A 36 -13.435 -6.831 6.567 1.00 65.42 C ATOM 530 C ASP A 36 -12.477 -8.040 6.509 1.00 4.35 C ATOM 531 O ASP A 36 -12.087 -8.596 7.537 1.00 50.30 O ATOM 532 CB ASP A 36 -14.894 -7.299 6.596 1.00 60.01 C ATOM 533 CG ASP A 36 -15.178 -8.248 7.747 1.00 65.34 C ATOM 534 OD1 ASP A 36 -15.196 -7.792 8.909 1.00 3.13 O ATOM 535 OD2 ASP A 36 -15.389 -9.453 7.493 1.00 23.34 O ATOM 0 H ASP A 36 -14.039 -5.814 4.827 1.00 4.32 H new ATOM 0 HA ASP A 36 -13.222 -6.281 7.484 1.00 65.42 H new ATOM 0 HB2 ASP A 36 -15.549 -6.431 6.675 1.00 60.01 H new ATOM 0 HB3 ASP A 36 -15.132 -7.794 5.654 1.00 60.01 H new ATOM 540 N ALA A 37 -12.090 -8.423 5.293 1.00 72.51 N ATOM 541 CA ALA A 37 -11.147 -9.527 5.084 1.00 24.35 C ATOM 542 C ALA A 37 -9.686 -9.099 5.326 1.00 51.31 C ATOM 543 O ALA A 37 -8.760 -9.851 5.030 1.00 31.13 O ATOM 544 CB ALA A 37 -11.307 -10.083 3.672 1.00 64.32 C ATOM 0 H ALA A 37 -12.416 -7.984 4.432 1.00 72.51 H new ATOM 0 HA ALA A 37 -11.380 -10.303 5.813 1.00 24.35 H new ATOM 0 HB1 ALA A 37 -10.604 -10.903 3.522 1.00 64.32 H new ATOM 0 HB2 ALA A 37 -12.325 -10.449 3.538 1.00 64.32 H new ATOM 0 HB3 ALA A 37 -11.106 -9.295 2.946 1.00 64.32 H new ATOM 550 N GLY A 38 -9.483 -7.883 5.840 1.00 72.34 N ATOM 551 CA GLY A 38 -8.135 -7.415 6.174 1.00 61.31 C ATOM 552 C GLY A 38 -7.317 -6.948 4.967 1.00 11.41 C ATOM 553 O GLY A 38 -6.261 -6.335 5.127 1.00 13.23 O ATOM 0 H GLY A 38 -10.226 -7.211 6.032 1.00 72.34 H new ATOM 0 HA2 GLY A 38 -8.214 -6.593 6.886 1.00 61.31 H new ATOM 0 HA3 GLY A 38 -7.597 -8.220 6.675 1.00 61.31 H new ATOM 557 N TRP A 39 -7.804 -7.232 3.762 1.00 63.14 N ATOM 558 CA TRP A 39 -7.085 -6.886 2.530 1.00 54.43 C ATOM 559 C TRP A 39 -7.488 -5.505 1.985 1.00 51.22 C ATOM 560 O TRP A 39 -8.672 -5.170 1.913 1.00 5.12 O ATOM 561 CB TRP A 39 -7.326 -7.962 1.462 1.00 62.32 C ATOM 562 CG TRP A 39 -6.663 -9.274 1.778 1.00 64.12 C ATOM 563 CD1 TRP A 39 -7.244 -10.388 2.312 1.00 34.11 C ATOM 564 CD2 TRP A 39 -5.281 -9.594 1.592 1.00 63.12 C ATOM 565 NE1 TRP A 39 -6.311 -11.386 2.449 1.00 34.43 N ATOM 566 CE2 TRP A 39 -5.098 -10.921 2.019 1.00 62.11 C ATOM 567 CE3 TRP A 39 -4.181 -8.886 1.096 1.00 4.34 C ATOM 568 CZ2 TRP A 39 -3.859 -11.553 1.968 1.00 2.32 C ATOM 569 CZ3 TRP A 39 -2.952 -9.511 1.052 1.00 0.02 C ATOM 570 CH2 TRP A 39 -2.800 -10.834 1.482 1.00 71.31 C ATOM 0 H TRP A 39 -8.696 -7.702 3.608 1.00 63.14 H new ATOM 0 HA TRP A 39 -6.024 -6.841 2.776 1.00 54.43 H new ATOM 0 HB2 TRP A 39 -8.399 -8.122 1.353 1.00 62.32 H new ATOM 0 HB3 TRP A 39 -6.959 -7.599 0.502 1.00 62.32 H new ATOM 0 HD1 TRP A 39 -8.285 -10.472 2.587 1.00 34.11 H new ATOM 0 HE1 TRP A 39 -6.493 -12.322 2.812 1.00 34.43 H new ATOM 0 HE3 TRP A 39 -4.292 -7.868 0.753 1.00 4.34 H new ATOM 0 HZ2 TRP A 39 -3.737 -12.574 2.300 1.00 2.32 H new ATOM 0 HZ3 TRP A 39 -2.094 -8.971 0.680 1.00 0.02 H new ATOM 0 HH2 TRP A 39 -1.826 -11.298 1.429 1.00 71.31 H new ATOM 581 N ALA A 40 -6.488 -4.712 1.607 1.00 64.40 N ATOM 582 CA ALA A 40 -6.707 -3.398 0.992 1.00 4.05 C ATOM 583 C ALA A 40 -6.110 -3.348 -0.420 1.00 53.11 C ATOM 584 O ALA A 40 -4.920 -3.598 -0.609 1.00 35.40 O ATOM 585 CB ALA A 40 -6.091 -2.298 1.853 1.00 43.34 C ATOM 0 H ALA A 40 -5.504 -4.958 1.717 1.00 64.40 H new ATOM 0 HA ALA A 40 -7.782 -3.235 0.921 1.00 4.05 H new ATOM 0 HB1 ALA A 40 -6.262 -1.329 1.383 1.00 43.34 H new ATOM 0 HB2 ALA A 40 -6.551 -2.308 2.841 1.00 43.34 H new ATOM 0 HB3 ALA A 40 -5.019 -2.470 1.951 1.00 43.34 H new ATOM 591 N ASN A 41 -6.941 -3.034 -1.410 1.00 25.30 N ATOM 592 CA ASN A 41 -6.470 -2.873 -2.791 1.00 54.44 C ATOM 593 C ASN A 41 -5.494 -1.686 -2.889 1.00 45.53 C ATOM 594 O ASN A 41 -5.737 -0.628 -2.303 1.00 71.51 O ATOM 595 CB ASN A 41 -7.669 -2.666 -3.732 1.00 13.50 C ATOM 596 CG ASN A 41 -7.289 -2.660 -5.211 1.00 54.53 C ATOM 597 OD1 ASN A 41 -6.204 -2.237 -5.590 1.00 14.22 O ATOM 598 ND2 ASN A 41 -8.186 -3.123 -6.059 1.00 12.44 N ATOM 0 H ASN A 41 -7.943 -2.885 -1.287 1.00 25.30 H new ATOM 0 HA ASN A 41 -5.940 -3.777 -3.092 1.00 54.44 H new ATOM 0 HB2 ASN A 41 -8.399 -3.456 -3.556 1.00 13.50 H new ATOM 0 HB3 ASN A 41 -8.155 -1.722 -3.486 1.00 13.50 H new ATOM 0 HD21 ASN A 41 -7.984 -3.135 -7.059 1.00 12.44 H new ATOM 0 HD22 ASN A 41 -9.082 -3.469 -5.715 1.00 12.44 H new ATOM 605 N LEU A 42 -4.401 -1.870 -3.632 1.00 62.14 N ATOM 606 CA LEU A 42 -3.371 -0.829 -3.789 1.00 12.42 C ATOM 607 C LEU A 42 -3.986 0.533 -4.168 1.00 43.31 C ATOM 608 O LEU A 42 -3.544 1.581 -3.685 1.00 31.03 O ATOM 609 CB LEU A 42 -2.345 -1.257 -4.850 1.00 1.15 C ATOM 610 CG LEU A 42 -1.159 -0.295 -5.052 1.00 24.14 C ATOM 611 CD1 LEU A 42 -0.343 -0.154 -3.768 1.00 33.02 C ATOM 612 CD2 LEU A 42 -0.276 -0.765 -6.204 1.00 13.32 C ATOM 0 H LEU A 42 -4.201 -2.733 -4.138 1.00 62.14 H new ATOM 0 HA LEU A 42 -2.872 -0.711 -2.827 1.00 12.42 H new ATOM 0 HB2 LEU A 42 -1.953 -2.237 -4.577 1.00 1.15 H new ATOM 0 HB3 LEU A 42 -2.861 -1.375 -5.803 1.00 1.15 H new ATOM 0 HG LEU A 42 -1.560 0.687 -5.305 1.00 24.14 H new ATOM 0 HD11 LEU A 42 0.488 0.531 -3.938 1.00 33.02 H new ATOM 0 HD12 LEU A 42 -0.979 0.238 -2.974 1.00 33.02 H new ATOM 0 HD13 LEU A 42 0.045 -1.129 -3.474 1.00 33.02 H new ATOM 0 HD21 LEU A 42 0.556 -0.072 -6.331 1.00 13.32 H new ATOM 0 HD22 LEU A 42 0.111 -1.760 -5.984 1.00 13.32 H new ATOM 0 HD23 LEU A 42 -0.863 -0.799 -7.122 1.00 13.32 H new ATOM 624 N GLY A 43 -5.013 0.508 -5.020 1.00 12.04 N ATOM 625 CA GLY A 43 -5.720 1.732 -5.396 1.00 41.55 C ATOM 626 C GLY A 43 -6.353 2.447 -4.201 1.00 72.10 C ATOM 627 O GLY A 43 -6.341 3.679 -4.118 1.00 13.20 O ATOM 0 H GLY A 43 -5.371 -0.340 -5.459 1.00 12.04 H new ATOM 0 HA2 GLY A 43 -5.024 2.410 -5.891 1.00 41.55 H new ATOM 0 HA3 GLY A 43 -6.497 1.488 -6.120 1.00 41.55 H new ATOM 631 N ASN A 44 -6.904 1.672 -3.269 1.00 53.34 N ATOM 632 CA ASN A 44 -7.507 2.224 -2.048 1.00 21.41 C ATOM 633 C ASN A 44 -6.426 2.669 -1.052 1.00 25.33 C ATOM 634 O ASN A 44 -6.579 3.681 -0.360 1.00 14.21 O ATOM 635 CB ASN A 44 -8.421 1.185 -1.389 1.00 54.54 C ATOM 636 CG ASN A 44 -9.533 0.716 -2.312 1.00 24.24 C ATOM 637 OD1 ASN A 44 -10.002 1.458 -3.167 1.00 75.31 O ATOM 638 ND2 ASN A 44 -9.969 -0.514 -2.143 1.00 43.03 N ATOM 0 H ASN A 44 -6.947 0.655 -3.333 1.00 53.34 H new ATOM 0 HA ASN A 44 -8.098 3.095 -2.330 1.00 21.41 H new ATOM 0 HB2 ASN A 44 -7.825 0.327 -1.079 1.00 54.54 H new ATOM 0 HB3 ASN A 44 -8.859 1.612 -0.487 1.00 54.54 H new ATOM 0 HD21 ASN A 44 -10.719 -0.875 -2.733 1.00 43.03 H new ATOM 0 HD22 ASN A 44 -9.557 -1.106 -1.422 1.00 43.03 H new ATOM 645 N PHE A 45 -5.339 1.903 -0.986 1.00 63.04 N ATOM 646 CA PHE A 45 -4.205 2.220 -0.112 1.00 72.50 C ATOM 647 C PHE A 45 -3.589 3.584 -0.466 1.00 2.11 C ATOM 648 O PHE A 45 -3.569 4.495 0.361 1.00 54.34 O ATOM 649 CB PHE A 45 -3.141 1.118 -0.213 1.00 43.55 C ATOM 650 CG PHE A 45 -1.892 1.390 0.591 1.00 13.53 C ATOM 651 CD1 PHE A 45 -1.927 1.376 1.978 1.00 11.23 C ATOM 652 CD2 PHE A 45 -0.679 1.645 -0.041 1.00 32.04 C ATOM 653 CE1 PHE A 45 -0.782 1.612 2.718 1.00 41.13 C ATOM 654 CE2 PHE A 45 0.466 1.882 0.697 1.00 65.44 C ATOM 655 CZ PHE A 45 0.414 1.864 2.075 1.00 41.14 C ATOM 0 H PHE A 45 -5.217 1.050 -1.532 1.00 63.04 H new ATOM 0 HA PHE A 45 -4.573 2.274 0.913 1.00 72.50 H new ATOM 0 HB2 PHE A 45 -3.577 0.176 0.120 1.00 43.55 H new ATOM 0 HB3 PHE A 45 -2.865 0.989 -1.260 1.00 43.55 H new ATOM 0 HD1 PHE A 45 -2.859 1.178 2.486 1.00 11.23 H new ATOM 0 HD2 PHE A 45 -0.631 1.658 -1.120 1.00 32.04 H new ATOM 0 HE1 PHE A 45 -0.823 1.599 3.797 1.00 41.13 H new ATOM 0 HE2 PHE A 45 1.401 2.081 0.194 1.00 65.44 H new ATOM 0 HZ PHE A 45 1.309 2.047 2.651 1.00 41.14 H new ATOM 665 N GLY A 46 -3.110 3.721 -1.705 1.00 51.32 N ATOM 666 CA GLY A 46 -2.509 4.978 -2.150 1.00 24.22 C ATOM 667 C GLY A 46 -3.461 6.170 -2.044 1.00 3.33 C ATOM 668 O GLY A 46 -3.026 7.314 -1.902 1.00 64.54 O ATOM 0 H GLY A 46 -3.127 2.985 -2.411 1.00 51.32 H new ATOM 0 HA2 GLY A 46 -1.618 5.178 -1.555 1.00 24.22 H new ATOM 0 HA3 GLY A 46 -2.184 4.872 -3.185 1.00 24.22 H new ATOM 672 N ASN A 47 -4.761 5.894 -2.110 1.00 72.44 N ATOM 673 CA ASN A 47 -5.792 6.930 -1.982 1.00 74.35 C ATOM 674 C ASN A 47 -5.862 7.468 -0.541 1.00 1.23 C ATOM 675 O ASN A 47 -5.569 8.640 -0.288 1.00 62.30 O ATOM 676 CB ASN A 47 -7.154 6.358 -2.408 1.00 14.14 C ATOM 677 CG ASN A 47 -8.266 7.398 -2.469 1.00 51.14 C ATOM 678 OD1 ASN A 47 -8.275 8.375 -1.729 1.00 32.03 O ATOM 679 ND2 ASN A 47 -9.218 7.194 -3.361 1.00 24.03 N ATOM 0 H ASN A 47 -5.131 4.954 -2.253 1.00 72.44 H new ATOM 0 HA ASN A 47 -5.531 7.763 -2.635 1.00 74.35 H new ATOM 0 HB2 ASN A 47 -7.051 5.892 -3.388 1.00 14.14 H new ATOM 0 HB3 ASN A 47 -7.442 5.572 -1.710 1.00 14.14 H new ATOM 0 HD21 ASN A 47 -9.987 7.859 -3.447 1.00 24.03 H new ATOM 0 HD22 ASN A 47 -9.184 6.372 -3.964 1.00 24.03 H new ATOM 686 N TYR A 48 -6.231 6.601 0.406 1.00 23.20 N ATOM 687 CA TYR A 48 -6.411 7.021 1.801 1.00 3.43 C ATOM 688 C TYR A 48 -5.068 7.413 2.450 1.00 11.21 C ATOM 689 O TYR A 48 -5.024 8.264 3.342 1.00 44.42 O ATOM 690 CB TYR A 48 -7.107 5.914 2.614 1.00 11.34 C ATOM 691 CG TYR A 48 -7.629 6.390 3.960 1.00 73.13 C ATOM 692 CD1 TYR A 48 -8.734 7.231 4.037 1.00 20.34 C ATOM 693 CD2 TYR A 48 -7.017 6.007 5.147 1.00 55.34 C ATOM 694 CE1 TYR A 48 -9.211 7.675 5.254 1.00 63.12 C ATOM 695 CE2 TYR A 48 -7.491 6.448 6.370 1.00 31.13 C ATOM 696 CZ TYR A 48 -8.589 7.281 6.416 1.00 11.15 C ATOM 697 OH TYR A 48 -9.066 7.720 7.630 1.00 54.24 O ATOM 0 H TYR A 48 -6.410 5.611 0.236 1.00 23.20 H new ATOM 0 HA TYR A 48 -7.048 7.905 1.803 1.00 3.43 H new ATOM 0 HB2 TYR A 48 -7.937 5.513 2.032 1.00 11.34 H new ATOM 0 HB3 TYR A 48 -6.405 5.095 2.774 1.00 11.34 H new ATOM 0 HD1 TYR A 48 -9.228 7.542 3.128 1.00 20.34 H new ATOM 0 HD2 TYR A 48 -6.157 5.354 5.115 1.00 55.34 H new ATOM 0 HE1 TYR A 48 -10.069 8.329 5.294 1.00 63.12 H new ATOM 0 HE2 TYR A 48 -7.004 6.141 7.284 1.00 31.13 H new ATOM 0 HH TYR A 48 -10.033 7.868 7.568 1.00 54.24 H new ATOM 707 N LEU A 49 -3.977 6.801 1.988 1.00 12.24 N ATOM 708 CA LEU A 49 -2.634 7.157 2.465 1.00 10.14 C ATOM 709 C LEU A 49 -2.306 8.621 2.148 1.00 2.22 C ATOM 710 O LEU A 49 -1.815 9.355 3.005 1.00 41.13 O ATOM 711 CB LEU A 49 -1.574 6.236 1.843 1.00 12.25 C ATOM 712 CG LEU A 49 -0.114 6.563 2.213 1.00 3.43 C ATOM 713 CD1 LEU A 49 0.089 6.518 3.727 1.00 22.13 C ATOM 714 CD2 LEU A 49 0.846 5.607 1.510 1.00 12.54 C ATOM 0 H LEU A 49 -3.993 6.060 1.288 1.00 12.24 H new ATOM 0 HA LEU A 49 -2.622 7.027 3.547 1.00 10.14 H new ATOM 0 HB2 LEU A 49 -1.786 5.210 2.145 1.00 12.25 H new ATOM 0 HB3 LEU A 49 -1.674 6.276 0.758 1.00 12.25 H new ATOM 0 HG LEU A 49 0.103 7.576 1.874 1.00 3.43 H new ATOM 0 HD11 LEU A 49 1.127 6.752 3.962 1.00 22.13 H new ATOM 0 HD12 LEU A 49 -0.565 7.249 4.204 1.00 22.13 H new ATOM 0 HD13 LEU A 49 -0.151 5.521 4.097 1.00 22.13 H new ATOM 0 HD21 LEU A 49 1.872 5.854 1.784 1.00 12.54 H new ATOM 0 HD22 LEU A 49 0.626 4.583 1.813 1.00 12.54 H new ATOM 0 HD23 LEU A 49 0.727 5.700 0.431 1.00 12.54 H new ATOM 726 N ASN A 50 -2.607 9.047 0.923 1.00 51.11 N ATOM 727 CA ASN A 50 -2.327 10.423 0.496 1.00 23.15 C ATOM 728 C ASN A 50 -3.190 11.437 1.275 1.00 35.44 C ATOM 729 O ASN A 50 -2.864 12.620 1.345 1.00 73.45 O ATOM 730 CB ASN A 50 -2.556 10.562 -1.015 1.00 60.42 C ATOM 731 CG ASN A 50 -2.044 11.885 -1.564 1.00 71.13 C ATOM 732 OD1 ASN A 50 -2.788 12.851 -1.693 1.00 73.32 O ATOM 733 ND2 ASN A 50 -0.762 11.944 -1.872 1.00 33.02 N ATOM 0 H ASN A 50 -3.043 8.464 0.208 1.00 51.11 H new ATOM 0 HA ASN A 50 -1.282 10.643 0.715 1.00 23.15 H new ATOM 0 HB2 ASN A 50 -2.058 9.741 -1.531 1.00 60.42 H new ATOM 0 HB3 ASN A 50 -3.621 10.473 -1.227 1.00 60.42 H new ATOM 0 HD21 ASN A 50 -0.363 12.812 -2.229 1.00 33.02 H new ATOM 0 HD22 ASN A 50 -0.170 11.122 -1.753 1.00 33.02 H new ATOM 740 N LYS A 51 -4.290 10.962 1.860 1.00 22.43 N ATOM 741 CA LYS A 51 -5.149 11.811 2.696 1.00 62.44 C ATOM 742 C LYS A 51 -4.496 12.099 4.058 1.00 20.35 C ATOM 743 O LYS A 51 -4.680 13.176 4.633 1.00 21.44 O ATOM 744 CB LYS A 51 -6.514 11.145 2.911 1.00 31.22 C ATOM 745 CG LYS A 51 -7.313 10.940 1.627 1.00 21.23 C ATOM 746 CD LYS A 51 -8.652 10.262 1.900 1.00 35.45 C ATOM 747 CE LYS A 51 -9.538 11.090 2.825 1.00 54.20 C ATOM 748 NZ LYS A 51 -9.883 12.415 2.241 1.00 23.31 N ATOM 0 H LYS A 51 -4.609 9.997 1.773 1.00 22.43 H new ATOM 0 HA LYS A 51 -5.286 12.757 2.172 1.00 62.44 H new ATOM 0 HB2 LYS A 51 -6.364 10.178 3.392 1.00 31.22 H new ATOM 0 HB3 LYS A 51 -7.100 11.755 3.598 1.00 31.22 H new ATOM 0 HG2 LYS A 51 -7.484 11.903 1.147 1.00 21.23 H new ATOM 0 HG3 LYS A 51 -6.733 10.335 0.930 1.00 21.23 H new ATOM 0 HD2 LYS A 51 -9.171 10.094 0.957 1.00 35.45 H new ATOM 0 HD3 LYS A 51 -8.478 9.283 2.347 1.00 35.45 H new ATOM 0 HE2 LYS A 51 -10.454 10.539 3.036 1.00 54.20 H new ATOM 0 HE3 LYS A 51 -9.028 11.237 3.777 1.00 54.20 H new ATOM 0 HZ1 LYS A 51 -10.604 12.877 2.831 1.00 23.31 H new ATOM 0 HZ2 LYS A 51 -9.031 13.011 2.205 1.00 23.31 H new ATOM 0 HZ3 LYS A 51 -10.255 12.284 1.279 1.00 23.31 H new ATOM 762 N LEU A 52 -3.744 11.127 4.577 1.00 41.22 N ATOM 763 CA LEU A 52 -3.045 11.290 5.858 1.00 51.34 C ATOM 764 C LEU A 52 -1.646 11.894 5.649 1.00 1.42 C ATOM 765 O LEU A 52 -1.269 12.864 6.306 1.00 74.31 O ATOM 766 CB LEU A 52 -2.923 9.940 6.586 1.00 12.01 C ATOM 767 CG LEU A 52 -4.241 9.165 6.778 1.00 60.23 C ATOM 768 CD1 LEU A 52 -4.027 7.938 7.660 1.00 14.32 C ATOM 769 CD2 LEU A 52 -5.331 10.064 7.358 1.00 30.14 C ATOM 0 H LEU A 52 -3.602 10.220 4.133 1.00 41.22 H new ATOM 0 HA LEU A 52 -3.633 11.973 6.471 1.00 51.34 H new ATOM 0 HB2 LEU A 52 -2.229 9.309 6.030 1.00 12.01 H new ATOM 0 HB3 LEU A 52 -2.479 10.115 7.566 1.00 12.01 H new ATOM 0 HG LEU A 52 -4.573 8.826 5.797 1.00 60.23 H new ATOM 0 HD11 LEU A 52 -4.972 7.408 7.781 1.00 14.32 H new ATOM 0 HD12 LEU A 52 -3.297 7.277 7.193 1.00 14.32 H new ATOM 0 HD13 LEU A 52 -3.660 8.252 8.637 1.00 14.32 H new ATOM 0 HD21 LEU A 52 -6.249 9.489 7.482 1.00 30.14 H new ATOM 0 HD22 LEU A 52 -5.009 10.448 8.326 1.00 30.14 H new ATOM 0 HD23 LEU A 52 -5.514 10.898 6.680 1.00 30.14 H new ATOM 781 N GLN A 53 -0.881 11.312 4.730 1.00 20.41 N ATOM 782 CA GLN A 53 0.448 11.821 4.370 1.00 22.01 C ATOM 783 C GLN A 53 0.542 12.118 2.863 1.00 0.04 C ATOM 784 O GLN A 53 0.951 11.264 2.074 1.00 61.11 O ATOM 785 CB GLN A 53 1.542 10.819 4.776 1.00 1.51 C ATOM 786 CG GLN A 53 1.771 10.704 6.282 1.00 3.22 C ATOM 787 CD GLN A 53 2.256 12.007 6.902 1.00 4.50 C ATOM 788 OE1 GLN A 53 3.452 12.284 6.941 1.00 43.53 O ATOM 789 NE2 GLN A 53 1.338 12.803 7.404 1.00 55.44 N ATOM 0 H GLN A 53 -1.159 10.478 4.213 1.00 20.41 H new ATOM 0 HA GLN A 53 0.602 12.753 4.914 1.00 22.01 H new ATOM 0 HB2 GLN A 53 1.279 9.836 4.386 1.00 1.51 H new ATOM 0 HB3 GLN A 53 2.478 11.111 4.300 1.00 1.51 H new ATOM 0 HG2 GLN A 53 0.842 10.400 6.765 1.00 3.22 H new ATOM 0 HG3 GLN A 53 2.503 9.919 6.476 1.00 3.22 H new ATOM 0 HE21 GLN A 53 0.353 12.541 7.354 1.00 55.44 H new ATOM 0 HE22 GLN A 53 1.610 13.682 7.843 1.00 55.44 H new ATOM 798 N PRO A 54 0.154 13.335 2.436 1.00 52.50 N ATOM 799 CA PRO A 54 0.204 13.733 1.017 1.00 61.14 C ATOM 800 C PRO A 54 1.639 13.938 0.514 1.00 30.43 C ATOM 801 O PRO A 54 1.926 13.784 -0.672 1.00 42.35 O ATOM 802 CB PRO A 54 -0.572 15.066 0.981 1.00 2.44 C ATOM 803 CG PRO A 54 -1.220 15.200 2.324 1.00 31.22 C ATOM 804 CD PRO A 54 -0.372 14.414 3.283 1.00 73.04 C ATOM 0 HA PRO A 54 -0.217 12.963 0.371 1.00 61.14 H new ATOM 0 HB2 PRO A 54 0.098 15.903 0.786 1.00 2.44 H new ATOM 0 HB3 PRO A 54 -1.318 15.062 0.186 1.00 2.44 H new ATOM 0 HG2 PRO A 54 -1.279 16.246 2.625 1.00 31.22 H new ATOM 0 HG3 PRO A 54 -2.240 14.817 2.303 1.00 31.22 H new ATOM 0 HD2 PRO A 54 0.427 15.021 3.709 1.00 73.04 H new ATOM 0 HD3 PRO A 54 -0.957 14.026 4.117 1.00 73.04 H new ATOM 812 N ASP A 55 2.533 14.291 1.434 1.00 51.42 N ATOM 813 CA ASP A 55 3.925 14.592 1.098 1.00 25.13 C ATOM 814 C ASP A 55 4.806 13.320 1.112 1.00 41.12 C ATOM 815 O ASP A 55 6.016 13.385 0.870 1.00 31.54 O ATOM 816 CB ASP A 55 4.457 15.638 2.090 1.00 43.13 C ATOM 817 CG ASP A 55 5.811 16.204 1.696 1.00 5.52 C ATOM 818 OD1 ASP A 55 5.935 16.744 0.573 1.00 53.32 O ATOM 819 OD2 ASP A 55 6.752 16.133 2.513 1.00 14.41 O ATOM 0 H ASP A 55 2.317 14.377 2.427 1.00 51.42 H new ATOM 0 HA ASP A 55 3.966 14.990 0.084 1.00 25.13 H new ATOM 0 HB2 ASP A 55 3.738 16.454 2.168 1.00 43.13 H new ATOM 0 HB3 ASP A 55 4.534 15.185 3.079 1.00 43.13 H new ATOM 824 N PHE A 56 4.196 12.162 1.373 1.00 4.30 N ATOM 825 CA PHE A 56 4.943 10.899 1.461 1.00 12.30 C ATOM 826 C PHE A 56 5.348 10.394 0.064 1.00 11.30 C ATOM 827 O PHE A 56 4.542 9.810 -0.665 1.00 44.44 O ATOM 828 CB PHE A 56 4.115 9.842 2.208 1.00 73.03 C ATOM 829 CG PHE A 56 4.815 8.513 2.373 1.00 34.34 C ATOM 830 CD1 PHE A 56 5.872 8.377 3.264 1.00 0.23 C ATOM 831 CD2 PHE A 56 4.413 7.403 1.642 1.00 53.44 C ATOM 832 CE1 PHE A 56 6.514 7.162 3.419 1.00 63.21 C ATOM 833 CE2 PHE A 56 5.052 6.186 1.794 1.00 52.23 C ATOM 834 CZ PHE A 56 6.104 6.066 2.683 1.00 23.45 C ATOM 0 H PHE A 56 3.192 12.069 1.527 1.00 4.30 H new ATOM 0 HA PHE A 56 5.859 11.082 2.023 1.00 12.30 H new ATOM 0 HB2 PHE A 56 3.856 10.229 3.194 1.00 73.03 H new ATOM 0 HB3 PHE A 56 3.179 9.684 1.672 1.00 73.03 H new ATOM 0 HD1 PHE A 56 6.196 9.230 3.842 1.00 0.23 H new ATOM 0 HD2 PHE A 56 3.592 7.491 0.946 1.00 53.44 H new ATOM 0 HE1 PHE A 56 7.335 7.069 4.115 1.00 63.21 H new ATOM 0 HE2 PHE A 56 4.730 5.330 1.219 1.00 52.23 H new ATOM 0 HZ PHE A 56 6.605 5.117 2.802 1.00 23.45 H new ATOM 844 N ASP A 57 6.602 10.636 -0.304 1.00 43.02 N ATOM 845 CA ASP A 57 7.105 10.287 -1.635 1.00 74.41 C ATOM 846 C ASP A 57 8.125 9.132 -1.594 1.00 25.13 C ATOM 847 O ASP A 57 8.956 9.047 -0.690 1.00 65.34 O ATOM 848 CB ASP A 57 7.717 11.523 -2.295 1.00 12.41 C ATOM 849 CG ASP A 57 8.400 11.186 -3.603 1.00 20.14 C ATOM 850 OD1 ASP A 57 7.705 10.741 -4.543 1.00 50.23 O ATOM 851 OD2 ASP A 57 9.629 11.341 -3.689 1.00 53.50 O ATOM 0 H ASP A 57 7.295 11.075 0.302 1.00 43.02 H new ATOM 0 HA ASP A 57 6.259 9.937 -2.227 1.00 74.41 H new ATOM 0 HB2 ASP A 57 6.937 12.263 -2.473 1.00 12.41 H new ATOM 0 HB3 ASP A 57 8.438 11.978 -1.616 1.00 12.41 H new ATOM 856 N SER A 58 8.048 8.248 -2.591 1.00 23.12 N ATOM 857 CA SER A 58 8.941 7.079 -2.685 1.00 51.52 C ATOM 858 C SER A 58 10.321 7.448 -3.256 1.00 53.10 C ATOM 859 O SER A 58 11.337 6.861 -2.866 1.00 50.32 O ATOM 860 CB SER A 58 8.301 5.990 -3.559 1.00 14.32 C ATOM 861 OG SER A 58 7.051 5.567 -3.031 1.00 35.43 O ATOM 0 H SER A 58 7.373 8.316 -3.352 1.00 23.12 H new ATOM 0 HA SER A 58 9.086 6.704 -1.672 1.00 51.52 H new ATOM 0 HB2 SER A 58 8.160 6.370 -4.571 1.00 14.32 H new ATOM 0 HB3 SER A 58 8.975 5.136 -3.630 1.00 14.32 H new ATOM 0 HG SER A 58 6.327 5.879 -3.614 1.00 35.43 H new ATOM 867 N ARG A 59 10.365 8.422 -4.170 1.00 63.40 N ATOM 868 CA ARG A 59 11.635 8.856 -4.780 1.00 74.04 C ATOM 869 C ARG A 59 12.631 9.323 -3.705 1.00 65.52 C ATOM 870 O ARG A 59 13.843 9.162 -3.861 1.00 53.54 O ATOM 871 CB ARG A 59 11.396 9.983 -5.796 1.00 32.44 C ATOM 872 CG ARG A 59 10.510 9.591 -6.977 1.00 50.33 C ATOM 873 CD ARG A 59 11.208 8.620 -7.925 1.00 64.14 C ATOM 874 NE ARG A 59 10.329 8.193 -9.014 1.00 0.41 N ATOM 875 CZ ARG A 59 10.705 8.038 -10.257 1.00 32.31 C ATOM 876 NH1 ARG A 59 11.917 8.314 -10.621 1.00 35.30 N ATOM 877 NH2 ARG A 59 9.855 7.624 -11.139 1.00 24.30 N ATOM 0 H ARG A 59 9.544 8.925 -4.505 1.00 63.40 H new ATOM 0 HA ARG A 59 12.061 7.999 -5.301 1.00 74.04 H new ATOM 0 HB2 ARG A 59 10.941 10.829 -5.281 1.00 32.44 H new ATOM 0 HB3 ARG A 59 12.359 10.322 -6.177 1.00 32.44 H new ATOM 0 HG2 ARG A 59 9.592 9.136 -6.605 1.00 50.33 H new ATOM 0 HG3 ARG A 59 10.222 10.488 -7.526 1.00 50.33 H new ATOM 0 HD2 ARG A 59 12.097 9.095 -8.341 1.00 64.14 H new ATOM 0 HD3 ARG A 59 11.545 7.747 -7.367 1.00 64.14 H new ATOM 0 HE ARG A 59 9.353 8.003 -8.787 1.00 0.41 H new ATOM 0 HH11 ARG A 59 12.590 8.656 -9.935 1.00 35.30 H new ATOM 0 HH12 ARG A 59 12.198 8.189 -11.593 1.00 35.30 H new ATOM 0 HH21 ARG A 59 8.894 7.419 -10.865 1.00 24.30 H new ATOM 0 HH22 ARG A 59 10.145 7.502 -12.109 1.00 24.30 H new ATOM 891 N LEU A 60 12.111 9.892 -2.616 1.00 33.14 N ATOM 892 CA LEU A 60 12.935 10.296 -1.464 1.00 44.35 C ATOM 893 C LEU A 60 13.837 9.147 -0.982 1.00 32.25 C ATOM 894 O LEU A 60 14.999 9.353 -0.626 1.00 51.11 O ATOM 895 CB LEU A 60 12.037 10.743 -0.298 1.00 21.32 C ATOM 896 CG LEU A 60 11.025 11.856 -0.620 1.00 63.12 C ATOM 897 CD1 LEU A 60 10.166 12.172 0.603 1.00 24.34 C ATOM 898 CD2 LEU A 60 11.735 13.109 -1.125 1.00 51.01 C ATOM 0 H LEU A 60 11.116 10.087 -2.503 1.00 33.14 H new ATOM 0 HA LEU A 60 13.565 11.123 -1.791 1.00 44.35 H new ATOM 0 HB2 LEU A 60 11.489 9.874 0.067 1.00 21.32 H new ATOM 0 HB3 LEU A 60 12.675 11.083 0.517 1.00 21.32 H new ATOM 0 HG LEU A 60 10.369 11.500 -1.414 1.00 63.12 H new ATOM 0 HD11 LEU A 60 9.457 12.962 0.355 1.00 24.34 H new ATOM 0 HD12 LEU A 60 9.622 11.278 0.906 1.00 24.34 H new ATOM 0 HD13 LEU A 60 10.806 12.503 1.421 1.00 24.34 H new ATOM 0 HD21 LEU A 60 10.998 13.881 -1.346 1.00 51.01 H new ATOM 0 HD22 LEU A 60 12.422 13.471 -0.360 1.00 51.01 H new ATOM 0 HD23 LEU A 60 12.293 12.871 -2.030 1.00 51.01 H new ATOM 910 N TYR A 61 13.285 7.935 -0.980 1.00 31.44 N ATOM 911 CA TYR A 61 14.002 6.746 -0.504 1.00 21.54 C ATOM 912 C TYR A 61 14.764 6.049 -1.646 1.00 60.24 C ATOM 913 O TYR A 61 15.385 5.003 -1.446 1.00 11.15 O ATOM 914 CB TYR A 61 13.007 5.766 0.136 1.00 32.31 C ATOM 915 CG TYR A 61 12.198 6.369 1.276 1.00 15.23 C ATOM 916 CD1 TYR A 61 11.115 7.205 1.020 1.00 3.31 C ATOM 917 CD2 TYR A 61 12.516 6.104 2.605 1.00 74.11 C ATOM 918 CE1 TYR A 61 10.378 7.757 2.052 1.00 61.33 C ATOM 919 CE2 TYR A 61 11.780 6.654 3.639 1.00 10.13 C ATOM 920 CZ TYR A 61 10.711 7.478 3.357 1.00 44.25 C ATOM 921 OH TYR A 61 9.972 8.024 4.385 1.00 14.43 O ATOM 0 H TYR A 61 12.337 7.747 -1.305 1.00 31.44 H new ATOM 0 HA TYR A 61 14.734 7.066 0.237 1.00 21.54 H new ATOM 0 HB2 TYR A 61 12.322 5.405 -0.631 1.00 32.31 H new ATOM 0 HB3 TYR A 61 13.553 4.900 0.509 1.00 32.31 H new ATOM 0 HD1 TYR A 61 10.846 7.426 -0.002 1.00 3.31 H new ATOM 0 HD2 TYR A 61 13.351 5.458 2.833 1.00 74.11 H new ATOM 0 HE1 TYR A 61 9.543 8.406 1.834 1.00 61.33 H new ATOM 0 HE2 TYR A 61 12.042 6.439 4.664 1.00 10.13 H new ATOM 0 HH TYR A 61 10.338 7.727 5.244 1.00 14.43 H new ATOM 931 N GLY A 62 14.709 6.631 -2.845 1.00 21.44 N ATOM 932 CA GLY A 62 15.390 6.057 -4.005 1.00 24.22 C ATOM 933 C GLY A 62 14.497 5.149 -4.855 1.00 72.41 C ATOM 934 O GLY A 62 14.908 4.688 -5.923 1.00 21.34 O ATOM 0 H GLY A 62 14.202 7.495 -3.037 1.00 21.44 H new ATOM 0 HA2 GLY A 62 15.770 6.866 -4.629 1.00 24.22 H new ATOM 0 HA3 GLY A 62 16.253 5.486 -3.663 1.00 24.22 H new ATOM 938 N TYR A 63 13.274 4.900 -4.392 1.00 53.43 N ATOM 939 CA TYR A 63 12.336 4.021 -5.104 1.00 60.53 C ATOM 940 C TYR A 63 11.651 4.728 -6.276 1.00 62.12 C ATOM 941 O TYR A 63 11.531 5.951 -6.297 1.00 42.00 O ATOM 942 CB TYR A 63 11.286 3.466 -4.133 1.00 20.22 C ATOM 943 CG TYR A 63 11.849 2.446 -3.165 1.00 23.21 C ATOM 944 CD1 TYR A 63 12.629 2.828 -2.080 1.00 31.33 C ATOM 945 CD2 TYR A 63 11.601 1.093 -3.349 1.00 13.33 C ATOM 946 CE1 TYR A 63 13.146 1.889 -1.209 1.00 12.13 C ATOM 947 CE2 TYR A 63 12.109 0.150 -2.485 1.00 22.25 C ATOM 948 CZ TYR A 63 12.884 0.550 -1.413 1.00 34.51 C ATOM 949 OH TYR A 63 13.403 -0.390 -0.549 1.00 11.04 O ATOM 0 H TYR A 63 12.905 5.293 -3.526 1.00 53.43 H new ATOM 0 HA TYR A 63 12.918 3.198 -5.519 1.00 60.53 H new ATOM 0 HB2 TYR A 63 10.850 4.291 -3.569 1.00 20.22 H new ATOM 0 HB3 TYR A 63 10.478 3.008 -4.704 1.00 20.22 H new ATOM 0 HD1 TYR A 63 12.834 3.875 -1.915 1.00 31.33 H new ATOM 0 HD2 TYR A 63 10.998 0.774 -4.186 1.00 13.33 H new ATOM 0 HE1 TYR A 63 13.753 2.202 -0.372 1.00 12.13 H new ATOM 0 HE2 TYR A 63 11.903 -0.898 -2.644 1.00 22.25 H new ATOM 0 HH TYR A 63 13.123 -1.285 -0.833 1.00 11.04 H new ATOM 959 N LYS A 64 11.199 3.942 -7.252 1.00 54.24 N ATOM 960 CA LYS A 64 10.583 4.492 -8.465 1.00 11.54 C ATOM 961 C LYS A 64 9.159 5.000 -8.193 1.00 64.40 C ATOM 962 O LYS A 64 8.760 6.055 -8.686 1.00 74.01 O ATOM 963 CB LYS A 64 10.565 3.429 -9.576 1.00 25.53 C ATOM 964 CG LYS A 64 11.924 2.777 -9.824 1.00 41.31 C ATOM 965 CD LYS A 64 13.010 3.807 -10.144 1.00 33.42 C ATOM 966 CE LYS A 64 12.735 4.549 -11.448 1.00 5.24 C ATOM 967 NZ LYS A 64 12.687 3.629 -12.615 1.00 51.21 N ATOM 0 H LYS A 64 11.246 2.923 -7.229 1.00 54.24 H new ATOM 0 HA LYS A 64 11.183 5.342 -8.790 1.00 11.54 H new ATOM 0 HB2 LYS A 64 9.843 2.655 -9.315 1.00 25.53 H new ATOM 0 HB3 LYS A 64 10.218 3.889 -10.501 1.00 25.53 H new ATOM 0 HG2 LYS A 64 12.217 2.205 -8.944 1.00 41.31 H new ATOM 0 HG3 LYS A 64 11.841 2.071 -10.650 1.00 41.31 H new ATOM 0 HD2 LYS A 64 13.079 4.525 -9.327 1.00 33.42 H new ATOM 0 HD3 LYS A 64 13.976 3.306 -10.210 1.00 33.42 H new ATOM 0 HE2 LYS A 64 11.788 5.083 -11.368 1.00 5.24 H new ATOM 0 HE3 LYS A 64 13.510 5.298 -11.609 1.00 5.24 H new ATOM 0 HZ1 LYS A 64 12.702 4.183 -13.495 1.00 51.21 H new ATOM 0 HZ2 LYS A 64 13.511 2.995 -12.591 1.00 51.21 H new ATOM 0 HZ3 LYS A 64 11.814 3.065 -12.576 1.00 51.21 H new ATOM 981 N LYS A 65 8.396 4.238 -7.413 1.00 54.40 N ATOM 982 CA LYS A 65 7.033 4.628 -7.037 1.00 60.34 C ATOM 983 C LYS A 65 6.518 3.778 -5.862 1.00 43.30 C ATOM 984 O LYS A 65 7.150 2.793 -5.473 1.00 53.15 O ATOM 985 CB LYS A 65 6.085 4.516 -8.243 1.00 4.20 C ATOM 986 CG LYS A 65 6.026 3.126 -8.871 1.00 3.14 C ATOM 987 CD LYS A 65 5.110 3.102 -10.095 1.00 72.31 C ATOM 988 CE LYS A 65 5.024 1.716 -10.720 1.00 63.41 C ATOM 989 NZ LYS A 65 4.092 1.686 -11.875 1.00 21.31 N ATOM 0 H LYS A 65 8.697 3.343 -7.026 1.00 54.40 H new ATOM 0 HA LYS A 65 7.058 5.669 -6.714 1.00 60.34 H new ATOM 0 HB2 LYS A 65 5.081 4.802 -7.929 1.00 4.20 H new ATOM 0 HB3 LYS A 65 6.397 5.232 -9.003 1.00 4.20 H new ATOM 0 HG2 LYS A 65 7.029 2.813 -9.160 1.00 3.14 H new ATOM 0 HG3 LYS A 65 5.668 2.407 -8.134 1.00 3.14 H new ATOM 0 HD2 LYS A 65 4.112 3.432 -9.807 1.00 72.31 H new ATOM 0 HD3 LYS A 65 5.478 3.811 -10.836 1.00 72.31 H new ATOM 0 HE2 LYS A 65 6.016 1.403 -11.046 1.00 63.41 H new ATOM 0 HE3 LYS A 65 4.694 0.999 -9.968 1.00 63.41 H new ATOM 0 HZ1 LYS A 65 4.062 0.725 -12.272 1.00 21.31 H new ATOM 0 HZ2 LYS A 65 3.140 1.960 -11.560 1.00 21.31 H new ATOM 0 HZ3 LYS A 65 4.421 2.351 -12.604 1.00 21.31 H new ATOM 1003 N LEU A 66 5.359 4.160 -5.315 1.00 0.35 N ATOM 1004 CA LEU A 66 4.800 3.518 -4.111 1.00 14.23 C ATOM 1005 C LEU A 66 4.726 1.983 -4.235 1.00 1.34 C ATOM 1006 O LEU A 66 5.104 1.260 -3.316 1.00 22.12 O ATOM 1007 CB LEU A 66 3.402 4.091 -3.816 1.00 5.13 C ATOM 1008 CG LEU A 66 2.735 3.584 -2.528 1.00 50.12 C ATOM 1009 CD1 LEU A 66 3.570 3.950 -1.303 1.00 54.43 C ATOM 1010 CD2 LEU A 66 1.313 4.135 -2.404 1.00 4.00 C ATOM 0 H LEU A 66 4.783 4.915 -5.687 1.00 0.35 H new ATOM 0 HA LEU A 66 5.476 3.738 -3.285 1.00 14.23 H new ATOM 0 HB2 LEU A 66 3.478 5.177 -3.761 1.00 5.13 H new ATOM 0 HB3 LEU A 66 2.749 3.859 -4.657 1.00 5.13 H new ATOM 0 HG LEU A 66 2.675 2.497 -2.581 1.00 50.12 H new ATOM 0 HD11 LEU A 66 3.078 3.581 -0.403 1.00 54.43 H new ATOM 0 HD12 LEU A 66 4.558 3.497 -1.388 1.00 54.43 H new ATOM 0 HD13 LEU A 66 3.671 5.034 -1.242 1.00 54.43 H new ATOM 0 HD21 LEU A 66 0.858 3.764 -1.486 1.00 4.00 H new ATOM 0 HD22 LEU A 66 1.346 5.224 -2.379 1.00 4.00 H new ATOM 0 HD23 LEU A 66 0.721 3.810 -3.259 1.00 4.00 H new ATOM 1022 N SER A 67 4.248 1.493 -5.378 1.00 62.31 N ATOM 1023 CA SER A 67 4.112 0.043 -5.611 1.00 53.43 C ATOM 1024 C SER A 67 5.454 -0.699 -5.456 1.00 65.41 C ATOM 1025 O SER A 67 5.504 -1.798 -4.894 1.00 73.22 O ATOM 1026 CB SER A 67 3.541 -0.219 -7.010 1.00 73.22 C ATOM 1027 OG SER A 67 4.336 0.401 -8.005 1.00 44.24 O ATOM 0 H SER A 67 3.947 2.073 -6.161 1.00 62.31 H new ATOM 0 HA SER A 67 3.428 -0.340 -4.854 1.00 53.43 H new ATOM 0 HB2 SER A 67 3.494 -1.293 -7.193 1.00 73.22 H new ATOM 0 HB3 SER A 67 2.520 0.159 -7.067 1.00 73.22 H new ATOM 0 HG SER A 67 4.939 -0.262 -8.401 1.00 44.24 H new ATOM 1033 N ASP A 68 6.534 -0.094 -5.954 1.00 75.22 N ATOM 1034 CA ASP A 68 7.877 -0.687 -5.852 1.00 12.30 C ATOM 1035 C ASP A 68 8.338 -0.712 -4.386 1.00 51.31 C ATOM 1036 O ASP A 68 8.986 -1.659 -3.933 1.00 44.35 O ATOM 1037 CB ASP A 68 8.869 0.125 -6.698 1.00 21.12 C ATOM 1038 CG ASP A 68 10.204 -0.577 -6.881 1.00 13.05 C ATOM 1039 OD1 ASP A 68 10.216 -1.687 -7.451 1.00 20.35 O ATOM 1040 OD2 ASP A 68 11.245 -0.014 -6.480 1.00 72.41 O ATOM 0 H ASP A 68 6.509 0.806 -6.433 1.00 75.22 H new ATOM 0 HA ASP A 68 7.840 -1.710 -6.225 1.00 12.30 H new ATOM 0 HB2 ASP A 68 8.430 0.320 -7.676 1.00 21.12 H new ATOM 0 HB3 ASP A 68 9.035 1.093 -6.225 1.00 21.12 H new ATOM 1045 N LEU A 69 7.973 0.343 -3.655 1.00 34.44 N ATOM 1046 CA LEU A 69 8.334 0.497 -2.241 1.00 71.43 C ATOM 1047 C LEU A 69 7.609 -0.520 -1.346 1.00 24.22 C ATOM 1048 O LEU A 69 8.239 -1.219 -0.549 1.00 73.14 O ATOM 1049 CB LEU A 69 7.999 1.929 -1.781 1.00 33.13 C ATOM 1050 CG LEU A 69 8.259 2.226 -0.292 1.00 63.35 C ATOM 1051 CD1 LEU A 69 9.733 2.041 0.050 1.00 43.11 C ATOM 1052 CD2 LEU A 69 7.793 3.637 0.066 1.00 54.04 C ATOM 0 H LEU A 69 7.419 1.115 -4.025 1.00 34.44 H new ATOM 0 HA LEU A 69 9.404 0.311 -2.147 1.00 71.43 H new ATOM 0 HB2 LEU A 69 8.581 2.630 -2.380 1.00 33.13 H new ATOM 0 HB3 LEU A 69 6.948 2.124 -1.994 1.00 33.13 H new ATOM 0 HG LEU A 69 7.683 1.515 0.301 1.00 63.35 H new ATOM 0 HD11 LEU A 69 9.891 2.257 1.107 1.00 43.11 H new ATOM 0 HD12 LEU A 69 10.029 1.013 -0.159 1.00 43.11 H new ATOM 0 HD13 LEU A 69 10.335 2.721 -0.553 1.00 43.11 H new ATOM 0 HD21 LEU A 69 7.986 3.827 1.122 1.00 54.04 H new ATOM 0 HD22 LEU A 69 8.336 4.364 -0.538 1.00 54.04 H new ATOM 0 HD23 LEU A 69 6.725 3.728 -0.130 1.00 54.04 H new ATOM 1064 N VAL A 70 6.290 -0.598 -1.488 1.00 20.14 N ATOM 1065 CA VAL A 70 5.458 -1.455 -0.633 1.00 24.25 C ATOM 1066 C VAL A 70 5.912 -2.925 -0.653 1.00 55.03 C ATOM 1067 O VAL A 70 6.282 -3.477 0.383 1.00 65.55 O ATOM 1068 CB VAL A 70 3.961 -1.379 -1.036 1.00 1.35 C ATOM 1069 CG1 VAL A 70 3.114 -2.303 -0.162 1.00 75.41 C ATOM 1070 CG2 VAL A 70 3.449 0.059 -0.955 1.00 72.31 C ATOM 0 H VAL A 70 5.766 -0.076 -2.191 1.00 20.14 H new ATOM 0 HA VAL A 70 5.580 -1.072 0.380 1.00 24.25 H new ATOM 0 HB VAL A 70 3.873 -1.714 -2.069 1.00 1.35 H new ATOM 0 HG11 VAL A 70 2.069 -2.232 -0.464 1.00 75.41 H new ATOM 0 HG12 VAL A 70 3.457 -3.331 -0.280 1.00 75.41 H new ATOM 0 HG13 VAL A 70 3.211 -2.006 0.882 1.00 75.41 H new ATOM 0 HG21 VAL A 70 2.398 0.088 -1.242 1.00 72.31 H new ATOM 0 HG22 VAL A 70 3.557 0.427 0.065 1.00 72.31 H new ATOM 0 HG23 VAL A 70 4.027 0.690 -1.631 1.00 72.31 H new ATOM 1080 N LYS A 71 5.893 -3.554 -1.829 1.00 43.40 N ATOM 1081 CA LYS A 71 6.231 -4.979 -1.936 1.00 31.42 C ATOM 1082 C LYS A 71 7.708 -5.248 -1.607 1.00 70.24 C ATOM 1083 O LYS A 71 8.087 -6.375 -1.291 1.00 53.30 O ATOM 1084 CB LYS A 71 5.863 -5.537 -3.322 1.00 41.23 C ATOM 1085 CG LYS A 71 6.670 -4.958 -4.482 1.00 1.12 C ATOM 1086 CD LYS A 71 6.263 -5.586 -5.818 1.00 1.11 C ATOM 1087 CE LYS A 71 6.433 -7.107 -5.817 1.00 13.10 C ATOM 1088 NZ LYS A 71 6.040 -7.717 -7.118 1.00 52.11 N ATOM 0 H LYS A 71 5.650 -3.108 -2.713 1.00 43.40 H new ATOM 0 HA LYS A 71 5.634 -5.504 -1.191 1.00 31.42 H new ATOM 0 HB2 LYS A 71 5.997 -6.619 -3.309 1.00 41.23 H new ATOM 0 HB3 LYS A 71 4.805 -5.349 -3.504 1.00 41.23 H new ATOM 0 HG2 LYS A 71 6.523 -3.879 -4.526 1.00 1.12 H new ATOM 0 HG3 LYS A 71 7.733 -5.128 -4.308 1.00 1.12 H new ATOM 0 HD2 LYS A 71 5.223 -5.338 -6.032 1.00 1.11 H new ATOM 0 HD3 LYS A 71 6.865 -5.155 -6.618 1.00 1.11 H new ATOM 0 HE2 LYS A 71 7.472 -7.355 -5.600 1.00 13.10 H new ATOM 0 HE3 LYS A 71 5.829 -7.538 -5.018 1.00 13.10 H new ATOM 0 HZ1 LYS A 71 6.171 -8.748 -7.072 1.00 52.11 H new ATOM 0 HZ2 LYS A 71 5.041 -7.504 -7.314 1.00 52.11 H new ATOM 0 HZ3 LYS A 71 6.633 -7.326 -7.878 1.00 52.11 H new ATOM 1102 N ALA A 72 8.541 -4.216 -1.691 1.00 0.45 N ATOM 1103 CA ALA A 72 9.947 -4.334 -1.298 1.00 73.50 C ATOM 1104 C ALA A 72 10.103 -4.347 0.232 1.00 43.11 C ATOM 1105 O ALA A 72 10.823 -5.181 0.789 1.00 45.23 O ATOM 1106 CB ALA A 72 10.764 -3.202 -1.903 1.00 24.51 C ATOM 0 H ALA A 72 8.272 -3.291 -2.026 1.00 0.45 H new ATOM 0 HA ALA A 72 10.321 -5.284 -1.681 1.00 73.50 H new ATOM 0 HB1 ALA A 72 11.806 -3.304 -1.601 1.00 24.51 H new ATOM 0 HB2 ALA A 72 10.695 -3.244 -2.990 1.00 24.51 H new ATOM 0 HB3 ALA A 72 10.377 -2.246 -1.552 1.00 24.51 H new ATOM 1112 N ARG A 73 9.421 -3.419 0.908 1.00 61.53 N ATOM 1113 CA ARG A 73 9.511 -3.288 2.368 1.00 13.30 C ATOM 1114 C ARG A 73 8.477 -4.168 3.089 1.00 2.13 C ATOM 1115 O ARG A 73 7.562 -3.667 3.752 1.00 30.01 O ATOM 1116 CB ARG A 73 9.340 -1.818 2.789 1.00 1.41 C ATOM 1117 CG ARG A 73 10.444 -0.892 2.282 1.00 30.41 C ATOM 1118 CD ARG A 73 11.827 -1.332 2.756 1.00 61.12 C ATOM 1119 NE ARG A 73 11.922 -1.387 4.220 1.00 32.23 N ATOM 1120 CZ ARG A 73 12.743 -2.166 4.878 1.00 25.32 C ATOM 1121 NH1 ARG A 73 13.528 -2.982 4.250 1.00 40.41 N ATOM 1122 NH2 ARG A 73 12.764 -2.134 6.170 1.00 43.31 N ATOM 0 H ARG A 73 8.797 -2.743 0.467 1.00 61.53 H new ATOM 0 HA ARG A 73 10.502 -3.633 2.663 1.00 13.30 H new ATOM 0 HB2 ARG A 73 8.380 -1.456 2.422 1.00 1.41 H new ATOM 0 HB3 ARG A 73 9.307 -1.764 3.877 1.00 1.41 H new ATOM 0 HG2 ARG A 73 10.425 -0.869 1.192 1.00 30.41 H new ATOM 0 HG3 ARG A 73 10.250 0.124 2.625 1.00 30.41 H new ATOM 0 HD2 ARG A 73 12.055 -2.314 2.342 1.00 61.12 H new ATOM 0 HD3 ARG A 73 12.577 -0.642 2.371 1.00 61.12 H new ATOM 0 HE ARG A 73 11.308 -0.778 4.760 1.00 32.23 H new ATOM 0 HH11 ARG A 73 13.511 -3.023 3.231 1.00 40.41 H new ATOM 0 HH12 ARG A 73 14.163 -3.584 4.774 1.00 40.41 H new ATOM 0 HH21 ARG A 73 12.142 -1.503 6.675 1.00 43.31 H new ATOM 0 HH22 ARG A 73 13.403 -2.740 6.685 1.00 43.31 H new ATOM 1136 N THR A 74 8.646 -5.484 2.971 1.00 23.04 N ATOM 1137 CA THR A 74 7.791 -6.448 3.685 1.00 74.54 C ATOM 1138 C THR A 74 7.914 -6.282 5.204 1.00 21.40 C ATOM 1139 O THR A 74 7.091 -6.790 5.964 1.00 3.50 O ATOM 1140 CB THR A 74 8.142 -7.908 3.319 1.00 24.41 C ATOM 1141 OG1 THR A 74 9.511 -8.186 3.658 1.00 35.21 O ATOM 1142 CG2 THR A 74 7.916 -8.170 1.832 1.00 72.34 C ATOM 0 H THR A 74 9.366 -5.913 2.389 1.00 23.04 H new ATOM 0 HA THR A 74 6.767 -6.238 3.374 1.00 74.54 H new ATOM 0 HB THR A 74 7.486 -8.567 3.889 1.00 24.41 H new ATOM 0 HG1 THR A 74 9.724 -9.114 3.424 1.00 35.21 H new ATOM 0 HG21 THR A 74 8.171 -9.205 1.602 1.00 72.34 H new ATOM 0 HG22 THR A 74 6.869 -7.991 1.586 1.00 72.34 H new ATOM 0 HG23 THR A 74 8.546 -7.502 1.245 1.00 72.34 H new ATOM 1150 N ASP A 75 8.963 -5.576 5.628 1.00 13.21 N ATOM 1151 CA ASP A 75 9.162 -5.197 7.034 1.00 24.10 C ATOM 1152 C ASP A 75 7.882 -4.598 7.641 1.00 70.32 C ATOM 1153 O ASP A 75 7.571 -4.813 8.815 1.00 4.44 O ATOM 1154 CB ASP A 75 10.305 -4.172 7.110 1.00 55.44 C ATOM 1155 CG ASP A 75 10.643 -3.747 8.533 1.00 24.04 C ATOM 1156 OD1 ASP A 75 11.211 -4.568 9.281 1.00 71.43 O ATOM 1157 OD2 ASP A 75 10.364 -2.583 8.899 1.00 23.04 O ATOM 0 H ASP A 75 9.703 -5.248 5.007 1.00 13.21 H new ATOM 0 HA ASP A 75 9.412 -6.090 7.607 1.00 24.10 H new ATOM 0 HB2 ASP A 75 11.195 -4.596 6.644 1.00 55.44 H new ATOM 0 HB3 ASP A 75 10.031 -3.290 6.531 1.00 55.44 H new ATOM 1162 N LEU A 76 7.144 -3.853 6.821 1.00 51.21 N ATOM 1163 CA LEU A 76 5.927 -3.170 7.266 1.00 43.45 C ATOM 1164 C LEU A 76 4.662 -3.757 6.620 1.00 51.03 C ATOM 1165 O LEU A 76 3.627 -3.900 7.277 1.00 64.12 O ATOM 1166 CB LEU A 76 6.024 -1.676 6.920 1.00 54.44 C ATOM 1167 CG LEU A 76 7.219 -0.927 7.534 1.00 52.23 C ATOM 1168 CD1 LEU A 76 7.268 0.516 7.033 1.00 15.25 C ATOM 1169 CD2 LEU A 76 7.154 -0.969 9.058 1.00 44.14 C ATOM 0 H LEU A 76 7.368 -3.705 5.837 1.00 51.21 H new ATOM 0 HA LEU A 76 5.847 -3.311 8.344 1.00 43.45 H new ATOM 0 HB2 LEU A 76 6.073 -1.575 5.836 1.00 54.44 H new ATOM 0 HB3 LEU A 76 5.106 -1.186 7.244 1.00 54.44 H new ATOM 0 HG LEU A 76 8.135 -1.427 7.218 1.00 52.23 H new ATOM 0 HD11 LEU A 76 8.121 1.027 7.480 1.00 15.25 H new ATOM 0 HD12 LEU A 76 7.370 0.521 5.948 1.00 15.25 H new ATOM 0 HD13 LEU A 76 6.349 1.030 7.314 1.00 15.25 H new ATOM 0 HD21 LEU A 76 8.008 -0.434 9.473 1.00 44.14 H new ATOM 0 HD22 LEU A 76 6.231 -0.498 9.396 1.00 44.14 H new ATOM 0 HD23 LEU A 76 7.177 -2.005 9.395 1.00 44.14 H new ATOM 1181 N PHE A 77 4.741 -4.092 5.332 1.00 24.23 N ATOM 1182 CA PHE A 77 3.546 -4.452 4.560 1.00 54.31 C ATOM 1183 C PHE A 77 3.622 -5.878 3.985 1.00 4.54 C ATOM 1184 O PHE A 77 4.587 -6.236 3.314 1.00 54.23 O ATOM 1185 CB PHE A 77 3.373 -3.456 3.402 1.00 44.12 C ATOM 1186 CG PHE A 77 3.508 -2.010 3.822 1.00 41.11 C ATOM 1187 CD1 PHE A 77 2.700 -1.480 4.816 1.00 34.21 C ATOM 1188 CD2 PHE A 77 4.463 -1.190 3.231 1.00 3.03 C ATOM 1189 CE1 PHE A 77 2.844 -0.164 5.215 1.00 44.44 C ATOM 1190 CE2 PHE A 77 4.606 0.125 3.623 1.00 53.52 C ATOM 1191 CZ PHE A 77 3.798 0.638 4.616 1.00 22.55 C ATOM 0 H PHE A 77 5.612 -4.122 4.802 1.00 24.23 H new ATOM 0 HA PHE A 77 2.695 -4.415 5.240 1.00 54.31 H new ATOM 0 HB2 PHE A 77 4.115 -3.673 2.633 1.00 44.12 H new ATOM 0 HB3 PHE A 77 2.392 -3.604 2.950 1.00 44.12 H new ATOM 0 HD1 PHE A 77 1.950 -2.101 5.283 1.00 34.21 H new ATOM 0 HD2 PHE A 77 5.101 -1.588 2.455 1.00 3.03 H new ATOM 0 HE1 PHE A 77 2.212 0.237 5.994 1.00 44.44 H new ATOM 0 HE2 PHE A 77 5.349 0.752 3.153 1.00 53.52 H new ATOM 0 HZ PHE A 77 3.910 1.666 4.926 1.00 22.55 H new ATOM 1201 N VAL A 78 2.596 -6.683 4.249 1.00 41.32 N ATOM 1202 CA VAL A 78 2.459 -7.995 3.605 1.00 34.31 C ATOM 1203 C VAL A 78 1.717 -7.842 2.270 1.00 24.01 C ATOM 1204 O VAL A 78 0.582 -7.361 2.235 1.00 43.14 O ATOM 1205 CB VAL A 78 1.685 -8.996 4.497 1.00 53.44 C ATOM 1206 CG1 VAL A 78 1.561 -10.360 3.814 1.00 5.13 C ATOM 1207 CG2 VAL A 78 2.348 -9.131 5.864 1.00 44.13 C ATOM 0 H VAL A 78 1.847 -6.454 4.902 1.00 41.32 H new ATOM 0 HA VAL A 78 3.463 -8.386 3.441 1.00 34.31 H new ATOM 0 HB VAL A 78 0.679 -8.603 4.646 1.00 53.44 H new ATOM 0 HG11 VAL A 78 1.013 -11.043 4.463 1.00 5.13 H new ATOM 0 HG12 VAL A 78 1.026 -10.247 2.871 1.00 5.13 H new ATOM 0 HG13 VAL A 78 2.556 -10.762 3.621 1.00 5.13 H new ATOM 0 HG21 VAL A 78 1.786 -9.840 6.473 1.00 44.13 H new ATOM 0 HG22 VAL A 78 3.369 -9.490 5.739 1.00 44.13 H new ATOM 0 HG23 VAL A 78 2.363 -8.160 6.359 1.00 44.13 H new ATOM 1217 N THR A 79 2.351 -8.256 1.177 1.00 3.14 N ATOM 1218 CA THR A 79 1.793 -8.035 -0.167 1.00 41.45 C ATOM 1219 C THR A 79 1.456 -9.349 -0.885 1.00 14.32 C ATOM 1220 O THR A 79 2.286 -10.258 -0.965 1.00 15.41 O ATOM 1221 CB THR A 79 2.781 -7.241 -1.053 1.00 3.23 C ATOM 1222 OG1 THR A 79 3.948 -8.033 -1.334 1.00 64.22 O ATOM 1223 CG2 THR A 79 3.206 -5.946 -0.368 1.00 34.15 C ATOM 0 H THR A 79 3.247 -8.744 1.187 1.00 3.14 H new ATOM 0 HA THR A 79 0.874 -7.468 -0.020 1.00 41.45 H new ATOM 0 HB THR A 79 2.272 -6.998 -1.986 1.00 3.23 H new ATOM 0 HG1 THR A 79 3.710 -8.983 -1.318 1.00 64.22 H new ATOM 0 HG21 THR A 79 3.901 -5.405 -1.011 1.00 34.15 H new ATOM 0 HG22 THR A 79 2.328 -5.328 -0.182 1.00 34.15 H new ATOM 0 HG23 THR A 79 3.694 -6.178 0.579 1.00 34.15 H new ATOM 1231 N GLU A 80 0.238 -9.436 -1.420 1.00 52.52 N ATOM 1232 CA GLU A 80 -0.191 -10.591 -2.222 1.00 35.50 C ATOM 1233 C GLU A 80 -1.153 -10.151 -3.338 1.00 55.54 C ATOM 1234 O GLU A 80 -2.136 -9.445 -3.093 1.00 24.30 O ATOM 1235 CB GLU A 80 -0.853 -11.667 -1.338 1.00 14.01 C ATOM 1236 CG GLU A 80 0.117 -12.399 -0.407 1.00 61.43 C ATOM 1237 CD GLU A 80 -0.552 -13.490 0.415 1.00 40.22 C ATOM 1238 OE1 GLU A 80 -0.913 -14.538 -0.165 1.00 34.45 O ATOM 1239 OE2 GLU A 80 -0.705 -13.315 1.643 1.00 1.03 O ATOM 0 H GLU A 80 -0.477 -8.716 -1.313 1.00 52.52 H new ATOM 0 HA GLU A 80 0.697 -11.026 -2.680 1.00 35.50 H new ATOM 0 HB2 GLU A 80 -1.632 -11.198 -0.737 1.00 14.01 H new ATOM 0 HB3 GLU A 80 -1.343 -12.398 -1.981 1.00 14.01 H new ATOM 0 HG2 GLU A 80 0.918 -12.840 -1.001 1.00 61.43 H new ATOM 0 HG3 GLU A 80 0.579 -11.677 0.266 1.00 61.43 H new ATOM 1246 N GLU A 81 -0.862 -10.570 -4.564 1.00 51.10 N ATOM 1247 CA GLU A 81 -1.660 -10.177 -5.728 1.00 25.32 C ATOM 1248 C GLU A 81 -2.835 -11.140 -5.957 1.00 73.12 C ATOM 1249 O GLU A 81 -2.652 -12.356 -6.037 1.00 74.31 O ATOM 1250 CB GLU A 81 -0.768 -10.130 -6.974 1.00 73.12 C ATOM 1251 CG GLU A 81 0.453 -9.231 -6.816 1.00 52.22 C ATOM 1252 CD GLU A 81 1.369 -9.258 -8.025 1.00 15.12 C ATOM 1253 OE1 GLU A 81 2.092 -10.260 -8.209 1.00 75.52 O ATOM 1254 OE2 GLU A 81 1.384 -8.273 -8.794 1.00 32.32 O ATOM 0 H GLU A 81 -0.077 -11.184 -4.782 1.00 51.10 H new ATOM 0 HA GLU A 81 -2.074 -9.187 -5.536 1.00 25.32 H new ATOM 0 HB2 GLU A 81 -0.436 -11.141 -7.212 1.00 73.12 H new ATOM 0 HB3 GLU A 81 -1.359 -9.781 -7.821 1.00 73.12 H new ATOM 0 HG2 GLU A 81 0.123 -8.207 -6.640 1.00 52.22 H new ATOM 0 HG3 GLU A 81 1.014 -9.541 -5.935 1.00 52.22 H new ATOM 1261 N ARG A 82 -4.038 -10.587 -6.081 1.00 71.10 N ATOM 1262 CA ARG A 82 -5.250 -11.394 -6.275 1.00 21.33 C ATOM 1263 C ARG A 82 -5.893 -11.089 -7.635 1.00 31.12 C ATOM 1264 O ARG A 82 -5.815 -9.963 -8.130 1.00 35.12 O ATOM 1265 CB ARG A 82 -6.280 -11.092 -5.175 1.00 74.12 C ATOM 1266 CG ARG A 82 -5.762 -11.220 -3.745 1.00 61.24 C ATOM 1267 CD ARG A 82 -5.463 -12.662 -3.353 1.00 55.44 C ATOM 1268 NE ARG A 82 -5.405 -12.813 -1.899 1.00 10.51 N ATOM 1269 CZ ARG A 82 -5.033 -13.900 -1.280 1.00 35.20 C ATOM 1270 NH1 ARG A 82 -4.648 -14.939 -1.941 1.00 65.53 N ATOM 1271 NH2 ARG A 82 -5.050 -13.944 0.011 1.00 14.05 N ATOM 0 H ARG A 82 -4.205 -9.581 -6.051 1.00 71.10 H new ATOM 0 HA ARG A 82 -4.957 -12.443 -6.233 1.00 21.33 H new ATOM 0 HB2 ARG A 82 -6.655 -10.079 -5.319 1.00 74.12 H new ATOM 0 HB3 ARG A 82 -7.128 -11.766 -5.299 1.00 74.12 H new ATOM 0 HG2 ARG A 82 -4.856 -10.623 -3.637 1.00 61.24 H new ATOM 0 HG3 ARG A 82 -6.500 -10.807 -3.058 1.00 61.24 H new ATOM 0 HD2 ARG A 82 -6.232 -13.319 -3.759 1.00 55.44 H new ATOM 0 HD3 ARG A 82 -4.515 -12.972 -3.792 1.00 55.44 H new ATOM 0 HE ARG A 82 -5.675 -12.012 -1.328 1.00 10.51 H new ATOM 0 HH11 ARG A 82 -4.632 -14.918 -2.961 1.00 65.53 H new ATOM 0 HH12 ARG A 82 -4.360 -15.782 -1.444 1.00 65.53 H new ATOM 0 HH21 ARG A 82 -5.354 -13.130 0.545 1.00 14.05 H new ATOM 0 HH22 ARG A 82 -4.760 -14.793 0.496 1.00 14.05 H new ATOM 1285 N GLN A 83 -6.531 -12.086 -8.237 1.00 74.55 N ATOM 1286 CA GLN A 83 -7.304 -11.855 -9.459 1.00 24.53 C ATOM 1287 C GLN A 83 -8.678 -11.267 -9.108 1.00 33.35 C ATOM 1288 O GLN A 83 -9.410 -11.822 -8.287 1.00 52.50 O ATOM 1289 CB GLN A 83 -7.472 -13.153 -10.264 1.00 23.33 C ATOM 1290 CG GLN A 83 -8.200 -12.947 -11.591 1.00 21.54 C ATOM 1291 CD GLN A 83 -8.379 -14.230 -12.384 1.00 21.22 C ATOM 1292 OE1 GLN A 83 -7.553 -15.140 -12.321 1.00 62.23 O ATOM 1293 NE2 GLN A 83 -9.461 -14.315 -13.136 1.00 13.22 N ATOM 0 H GLN A 83 -6.531 -13.051 -7.907 1.00 74.55 H new ATOM 0 HA GLN A 83 -6.757 -11.144 -10.078 1.00 24.53 H new ATOM 0 HB2 GLN A 83 -6.489 -13.582 -10.459 1.00 23.33 H new ATOM 0 HB3 GLN A 83 -8.023 -13.877 -9.663 1.00 23.33 H new ATOM 0 HG2 GLN A 83 -9.179 -12.509 -11.396 1.00 21.54 H new ATOM 0 HG3 GLN A 83 -7.644 -12.230 -12.195 1.00 21.54 H new ATOM 0 HE21 GLN A 83 -10.125 -13.541 -13.164 1.00 13.22 H new ATOM 0 HE22 GLN A 83 -9.633 -15.155 -13.689 1.00 13.22 H new ATOM 1302 N VAL A 84 -9.027 -10.152 -9.739 1.00 11.24 N ATOM 1303 CA VAL A 84 -10.263 -9.436 -9.419 1.00 63.52 C ATOM 1304 C VAL A 84 -11.440 -9.968 -10.255 1.00 33.42 C ATOM 1305 O VAL A 84 -11.325 -10.107 -11.472 1.00 32.20 O ATOM 1306 CB VAL A 84 -10.100 -7.914 -9.677 1.00 0.33 C ATOM 1307 CG1 VAL A 84 -11.342 -7.139 -9.232 1.00 14.41 C ATOM 1308 CG2 VAL A 84 -8.844 -7.381 -8.983 1.00 31.05 C ATOM 0 H VAL A 84 -8.472 -9.721 -10.478 1.00 11.24 H new ATOM 0 HA VAL A 84 -10.473 -9.602 -8.362 1.00 63.52 H new ATOM 0 HB VAL A 84 -9.987 -7.766 -10.751 1.00 0.33 H new ATOM 0 HG11 VAL A 84 -11.197 -6.076 -9.426 1.00 14.41 H new ATOM 0 HG12 VAL A 84 -12.210 -7.494 -9.787 1.00 14.41 H new ATOM 0 HG13 VAL A 84 -11.505 -7.294 -8.165 1.00 14.41 H new ATOM 0 HG21 VAL A 84 -8.747 -6.313 -9.176 1.00 31.05 H new ATOM 0 HG22 VAL A 84 -8.922 -7.550 -7.909 1.00 31.05 H new ATOM 0 HG23 VAL A 84 -7.967 -7.900 -9.369 1.00 31.05 H new ATOM 1318 N PRO A 85 -12.584 -10.288 -9.608 1.00 4.03 N ATOM 1319 CA PRO A 85 -13.787 -10.768 -10.313 1.00 23.13 C ATOM 1320 C PRO A 85 -14.182 -9.877 -11.506 1.00 0.33 C ATOM 1321 O PRO A 85 -14.547 -8.711 -11.333 1.00 24.52 O ATOM 1322 CB PRO A 85 -14.869 -10.729 -9.224 1.00 2.02 C ATOM 1323 CG PRO A 85 -14.119 -10.909 -7.945 1.00 25.01 C ATOM 1324 CD PRO A 85 -12.791 -10.223 -8.146 1.00 74.14 C ATOM 0 HA PRO A 85 -13.633 -11.754 -10.751 1.00 23.13 H new ATOM 0 HB2 PRO A 85 -15.411 -9.783 -9.237 1.00 2.02 H new ATOM 0 HB3 PRO A 85 -15.605 -11.520 -9.367 1.00 2.02 H new ATOM 0 HG2 PRO A 85 -14.663 -10.471 -7.108 1.00 25.01 H new ATOM 0 HG3 PRO A 85 -13.982 -11.966 -7.718 1.00 25.01 H new ATOM 0 HD2 PRO A 85 -12.814 -9.193 -7.790 1.00 74.14 H new ATOM 0 HD3 PRO A 85 -11.992 -10.730 -7.605 1.00 74.14 H new ATOM 1332 N GLY A 86 -14.088 -10.429 -12.714 1.00 12.01 N ATOM 1333 CA GLY A 86 -14.412 -9.671 -13.921 1.00 73.44 C ATOM 1334 C GLY A 86 -13.189 -9.029 -14.573 1.00 4.11 C ATOM 1335 O GLY A 86 -13.311 -8.295 -15.558 1.00 42.34 O ATOM 0 H GLY A 86 -13.793 -11.391 -12.883 1.00 12.01 H new ATOM 0 HA2 GLY A 86 -14.894 -10.333 -14.640 1.00 73.44 H new ATOM 0 HA3 GLY A 86 -15.133 -8.893 -13.671 1.00 73.44 H new ATOM 1339 N SER A 87 -12.008 -9.306 -14.030 1.00 23.44 N ATOM 1340 CA SER A 87 -10.756 -8.749 -14.558 1.00 53.41 C ATOM 1341 C SER A 87 -9.815 -9.855 -15.056 1.00 41.43 C ATOM 1342 O SER A 87 -9.558 -10.831 -14.351 1.00 53.14 O ATOM 1343 CB SER A 87 -10.036 -7.912 -13.488 1.00 32.44 C ATOM 1344 OG SER A 87 -10.824 -6.805 -13.067 1.00 61.55 O ATOM 0 H SER A 87 -11.886 -9.915 -13.221 1.00 23.44 H new ATOM 0 HA SER A 87 -11.019 -8.109 -15.400 1.00 53.41 H new ATOM 0 HB2 SER A 87 -9.804 -8.541 -12.629 1.00 32.44 H new ATOM 0 HB3 SER A 87 -9.087 -7.553 -13.885 1.00 32.44 H new ATOM 0 HG SER A 87 -10.336 -6.297 -12.386 1.00 61.55 H new ATOM 1350 N THR A 88 -9.298 -9.694 -16.275 1.00 22.55 N ATOM 1351 CA THR A 88 -8.309 -10.638 -16.826 1.00 24.51 C ATOM 1352 C THR A 88 -6.907 -10.347 -16.277 1.00 21.31 C ATOM 1353 O THR A 88 -6.010 -11.190 -16.339 1.00 71.42 O ATOM 1354 CB THR A 88 -8.269 -10.606 -18.377 1.00 4.15 C ATOM 1355 OG1 THR A 88 -7.255 -11.502 -18.871 1.00 61.44 O ATOM 1356 CG2 THR A 88 -7.999 -9.196 -18.900 1.00 32.21 C ATOM 0 H THR A 88 -9.542 -8.926 -16.900 1.00 22.55 H new ATOM 0 HA THR A 88 -8.624 -11.633 -16.513 1.00 24.51 H new ATOM 0 HB THR A 88 -9.247 -10.927 -18.736 1.00 4.15 H new ATOM 0 HG1 THR A 88 -6.575 -11.640 -18.179 1.00 61.44 H new ATOM 0 HG21 THR A 88 -7.978 -9.210 -19.990 1.00 32.21 H new ATOM 0 HG22 THR A 88 -8.788 -8.525 -18.561 1.00 32.21 H new ATOM 0 HG23 THR A 88 -7.038 -8.846 -18.523 1.00 32.21 H new ATOM 1364 N GLN A 89 -6.727 -9.138 -15.745 1.00 20.14 N ATOM 1365 CA GLN A 89 -5.490 -8.761 -15.056 1.00 54.30 C ATOM 1366 C GLN A 89 -5.702 -8.776 -13.538 1.00 43.43 C ATOM 1367 O GLN A 89 -6.781 -8.443 -13.047 1.00 73.24 O ATOM 1368 CB GLN A 89 -5.022 -7.371 -15.511 1.00 2.40 C ATOM 1369 CG GLN A 89 -5.983 -6.245 -15.146 1.00 62.52 C ATOM 1370 CD GLN A 89 -5.530 -4.893 -15.671 1.00 51.34 C ATOM 1371 OE1 GLN A 89 -4.831 -4.149 -14.989 1.00 41.12 O ATOM 1372 NE2 GLN A 89 -5.911 -4.567 -16.889 1.00 33.24 N ATOM 0 H GLN A 89 -7.427 -8.397 -15.778 1.00 20.14 H new ATOM 0 HA GLN A 89 -4.718 -9.487 -15.311 1.00 54.30 H new ATOM 0 HB2 GLN A 89 -4.049 -7.163 -15.067 1.00 2.40 H new ATOM 0 HB3 GLN A 89 -4.883 -7.381 -16.592 1.00 2.40 H new ATOM 0 HG2 GLN A 89 -6.971 -6.473 -15.546 1.00 62.52 H new ATOM 0 HG3 GLN A 89 -6.082 -6.194 -14.062 1.00 62.52 H new ATOM 0 HE21 GLN A 89 -6.492 -5.207 -17.430 1.00 33.24 H new ATOM 0 HE22 GLN A 89 -5.625 -3.674 -17.291 1.00 33.24 H new ATOM 1381 N LYS A 90 -4.672 -9.168 -12.797 1.00 14.14 N ATOM 1382 CA LYS A 90 -4.760 -9.261 -11.339 1.00 1.14 C ATOM 1383 C LYS A 90 -4.194 -8.004 -10.651 1.00 35.41 C ATOM 1384 O LYS A 90 -3.251 -7.377 -11.148 1.00 14.43 O ATOM 1385 CB LYS A 90 -4.024 -10.518 -10.863 1.00 62.01 C ATOM 1386 CG LYS A 90 -2.533 -10.530 -11.192 1.00 72.25 C ATOM 1387 CD LYS A 90 -1.892 -11.883 -10.888 1.00 2.13 C ATOM 1388 CE LYS A 90 -2.173 -12.349 -9.465 1.00 2.32 C ATOM 1389 NZ LYS A 90 -1.531 -13.655 -9.168 1.00 32.24 N ATOM 0 H LYS A 90 -3.763 -9.428 -13.180 1.00 14.14 H new ATOM 0 HA LYS A 90 -5.812 -9.330 -11.062 1.00 1.14 H new ATOM 0 HB2 LYS A 90 -4.148 -10.612 -9.784 1.00 62.01 H new ATOM 0 HB3 LYS A 90 -4.492 -11.393 -11.315 1.00 62.01 H new ATOM 0 HG2 LYS A 90 -2.392 -10.290 -12.246 1.00 72.25 H new ATOM 0 HG3 LYS A 90 -2.029 -9.752 -10.618 1.00 72.25 H new ATOM 0 HD2 LYS A 90 -2.266 -12.626 -11.592 1.00 2.13 H new ATOM 0 HD3 LYS A 90 -0.815 -11.814 -11.040 1.00 2.13 H new ATOM 0 HE2 LYS A 90 -1.812 -11.600 -8.761 1.00 2.32 H new ATOM 0 HE3 LYS A 90 -3.250 -12.433 -9.317 1.00 2.32 H new ATOM 0 HZ1 LYS A 90 -1.748 -13.934 -8.190 1.00 32.24 H new ATOM 0 HZ2 LYS A 90 -1.894 -14.377 -9.823 1.00 32.24 H new ATOM 0 HZ3 LYS A 90 -0.501 -13.570 -9.283 1.00 32.24 H new ATOM 1403 N ALA A 91 -4.765 -7.652 -9.499 1.00 60.10 N ATOM 1404 CA ALA A 91 -4.367 -6.442 -8.766 1.00 32.13 C ATOM 1405 C ALA A 91 -3.621 -6.788 -7.467 1.00 5.44 C ATOM 1406 O ALA A 91 -3.733 -7.898 -6.944 1.00 1.22 O ATOM 1407 CB ALA A 91 -5.593 -5.582 -8.464 1.00 1.33 C ATOM 0 H ALA A 91 -5.508 -8.187 -9.049 1.00 60.10 H new ATOM 0 HA ALA A 91 -3.683 -5.877 -9.399 1.00 32.13 H new ATOM 0 HB1 ALA A 91 -5.286 -4.688 -7.921 1.00 1.33 H new ATOM 0 HB2 ALA A 91 -6.073 -5.291 -9.399 1.00 1.33 H new ATOM 0 HB3 ALA A 91 -6.296 -6.152 -7.857 1.00 1.33 H new ATOM 1413 N LEU A 92 -2.863 -5.824 -6.957 1.00 53.23 N ATOM 1414 CA LEU A 92 -2.078 -6.007 -5.731 1.00 11.41 C ATOM 1415 C LEU A 92 -2.887 -5.634 -4.477 1.00 32.35 C ATOM 1416 O LEU A 92 -3.387 -4.514 -4.355 1.00 51.10 O ATOM 1417 CB LEU A 92 -0.795 -5.164 -5.804 1.00 2.20 C ATOM 1418 CG LEU A 92 0.087 -5.191 -4.542 1.00 12.42 C ATOM 1419 CD1 LEU A 92 0.706 -6.568 -4.341 1.00 33.20 C ATOM 1420 CD2 LEU A 92 1.172 -4.122 -4.620 1.00 24.11 C ATOM 0 H LEU A 92 -2.772 -4.898 -7.375 1.00 53.23 H new ATOM 0 HA LEU A 92 -1.817 -7.062 -5.653 1.00 11.41 H new ATOM 0 HB2 LEU A 92 -0.201 -5.511 -6.649 1.00 2.20 H new ATOM 0 HB3 LEU A 92 -1.071 -4.130 -6.011 1.00 2.20 H new ATOM 0 HG LEU A 92 -0.547 -4.975 -3.682 1.00 12.42 H new ATOM 0 HD11 LEU A 92 1.324 -6.561 -3.443 1.00 33.20 H new ATOM 0 HD12 LEU A 92 -0.085 -7.310 -4.231 1.00 33.20 H new ATOM 0 HD13 LEU A 92 1.322 -6.819 -5.204 1.00 33.20 H new ATOM 0 HD21 LEU A 92 1.784 -4.158 -3.719 1.00 24.11 H new ATOM 0 HD22 LEU A 92 1.800 -4.304 -5.492 1.00 24.11 H new ATOM 0 HD23 LEU A 92 0.709 -3.139 -4.705 1.00 24.11 H new ATOM 1432 N TYR A 93 -3.017 -6.584 -3.550 1.00 42.32 N ATOM 1433 CA TYR A 93 -3.705 -6.346 -2.275 1.00 41.24 C ATOM 1434 C TYR A 93 -2.712 -6.345 -1.106 1.00 64.04 C ATOM 1435 O TYR A 93 -1.728 -7.092 -1.104 1.00 13.14 O ATOM 1436 CB TYR A 93 -4.802 -7.397 -2.050 1.00 65.31 C ATOM 1437 CG TYR A 93 -5.987 -7.239 -2.981 1.00 65.03 C ATOM 1438 CD1 TYR A 93 -5.920 -7.648 -4.308 1.00 63.34 C ATOM 1439 CD2 TYR A 93 -7.174 -6.670 -2.532 1.00 31.31 C ATOM 1440 CE1 TYR A 93 -6.997 -7.496 -5.157 1.00 54.32 C ATOM 1441 CE2 TYR A 93 -8.255 -6.517 -3.376 1.00 35.22 C ATOM 1442 CZ TYR A 93 -8.161 -6.931 -4.686 1.00 20.42 C ATOM 1443 OH TYR A 93 -9.238 -6.783 -5.528 1.00 62.12 O ATOM 0 H TYR A 93 -2.654 -7.531 -3.657 1.00 42.32 H new ATOM 0 HA TYR A 93 -4.172 -5.362 -2.322 1.00 41.24 H new ATOM 0 HB2 TYR A 93 -4.375 -8.391 -2.183 1.00 65.31 H new ATOM 0 HB3 TYR A 93 -5.149 -7.334 -1.019 1.00 65.31 H new ATOM 0 HD1 TYR A 93 -5.009 -8.092 -4.681 1.00 63.34 H new ATOM 0 HD2 TYR A 93 -7.251 -6.342 -1.506 1.00 31.31 H new ATOM 0 HE1 TYR A 93 -6.927 -7.818 -6.185 1.00 54.32 H new ATOM 0 HE2 TYR A 93 -9.170 -6.075 -3.011 1.00 35.22 H new ATOM 0 HH TYR A 93 -9.980 -6.369 -5.040 1.00 62.12 H new ATOM 1453 N LEU A 94 -2.976 -5.502 -0.111 1.00 53.05 N ATOM 1454 CA LEU A 94 -2.031 -5.270 0.984 1.00 64.33 C ATOM 1455 C LEU A 94 -2.658 -5.536 2.362 1.00 5.44 C ATOM 1456 O LEU A 94 -3.870 -5.417 2.546 1.00 74.04 O ATOM 1457 CB LEU A 94 -1.531 -3.817 0.932 1.00 62.02 C ATOM 1458 CG LEU A 94 -1.000 -3.345 -0.431 1.00 33.11 C ATOM 1459 CD1 LEU A 94 -0.572 -1.884 -0.363 1.00 73.12 C ATOM 1460 CD2 LEU A 94 0.153 -4.224 -0.900 1.00 25.31 C ATOM 0 H LEU A 94 -3.840 -4.965 -0.038 1.00 53.05 H new ATOM 0 HA LEU A 94 -1.204 -5.968 0.853 1.00 64.33 H new ATOM 0 HB2 LEU A 94 -2.348 -3.160 1.231 1.00 62.02 H new ATOM 0 HB3 LEU A 94 -0.739 -3.698 1.671 1.00 62.02 H new ATOM 0 HG LEU A 94 -1.807 -3.432 -1.158 1.00 33.11 H new ATOM 0 HD11 LEU A 94 -0.199 -1.568 -1.337 1.00 73.12 H new ATOM 0 HD12 LEU A 94 -1.426 -1.267 -0.084 1.00 73.12 H new ATOM 0 HD13 LEU A 94 0.216 -1.770 0.381 1.00 73.12 H new ATOM 0 HD21 LEU A 94 0.511 -3.869 -1.867 1.00 25.31 H new ATOM 0 HD22 LEU A 94 0.964 -4.178 -0.173 1.00 25.31 H new ATOM 0 HD23 LEU A 94 -0.190 -5.254 -0.996 1.00 25.31 H new ATOM 1472 N ARG A 95 -1.816 -5.900 3.327 1.00 11.42 N ATOM 1473 CA ARG A 95 -2.224 -6.011 4.733 1.00 64.01 C ATOM 1474 C ARG A 95 -1.021 -5.768 5.657 1.00 4.11 C ATOM 1475 O ARG A 95 0.125 -5.991 5.270 1.00 62.32 O ATOM 1476 CB ARG A 95 -2.862 -7.381 5.023 1.00 62.44 C ATOM 1477 CG ARG A 95 -1.996 -8.568 4.620 1.00 61.33 C ATOM 1478 CD ARG A 95 -2.638 -9.898 5.001 1.00 2.44 C ATOM 1479 NE ARG A 95 -1.912 -11.037 4.436 1.00 25.14 N ATOM 1480 CZ ARG A 95 -2.103 -12.280 4.788 1.00 23.20 C ATOM 1481 NH1 ARG A 95 -2.943 -12.585 5.725 1.00 12.32 N ATOM 1482 NH2 ARG A 95 -1.463 -13.227 4.187 1.00 24.01 N ATOM 0 H ARG A 95 -0.835 -6.126 3.161 1.00 11.42 H new ATOM 0 HA ARG A 95 -2.976 -5.247 4.928 1.00 64.01 H new ATOM 0 HB2 ARG A 95 -3.081 -7.450 6.089 1.00 62.44 H new ATOM 0 HB3 ARG A 95 -3.815 -7.445 4.497 1.00 62.44 H new ATOM 0 HG2 ARG A 95 -1.825 -8.543 3.544 1.00 61.33 H new ATOM 0 HG3 ARG A 95 -1.021 -8.485 5.100 1.00 61.33 H new ATOM 0 HD2 ARG A 95 -2.667 -9.989 6.087 1.00 2.44 H new ATOM 0 HD3 ARG A 95 -3.670 -9.916 4.651 1.00 2.44 H new ATOM 0 HE ARG A 95 -1.211 -10.847 3.720 1.00 25.14 H new ATOM 0 HH11 ARG A 95 -3.467 -11.850 6.200 1.00 12.32 H new ATOM 0 HH12 ARG A 95 -3.081 -13.561 5.988 1.00 12.32 H new ATOM 0 HH21 ARG A 95 -0.808 -13.004 3.437 1.00 24.01 H new ATOM 0 HH22 ARG A 95 -1.612 -14.198 4.462 1.00 24.01 H new ATOM 1496 N ALA A 96 -1.286 -5.303 6.873 1.00 3.35 N ATOM 1497 CA ALA A 96 -0.221 -4.931 7.815 1.00 41.14 C ATOM 1498 C ALA A 96 0.584 -6.145 8.308 1.00 2.15 C ATOM 1499 O ALA A 96 0.054 -7.252 8.443 1.00 64.22 O ATOM 1500 CB ALA A 96 -0.813 -4.172 9.000 1.00 42.04 C ATOM 0 H ALA A 96 -2.230 -5.172 7.236 1.00 3.35 H new ATOM 0 HA ALA A 96 0.474 -4.287 7.277 1.00 41.14 H new ATOM 0 HB1 ALA A 96 -0.016 -3.900 9.693 1.00 42.04 H new ATOM 0 HB2 ALA A 96 -1.307 -3.268 8.643 1.00 42.04 H new ATOM 0 HB3 ALA A 96 -1.539 -4.805 9.511 1.00 42.04 H new ATOM 1506 N LYS A 97 1.870 -5.927 8.578 1.00 13.21 N ATOM 1507 CA LYS A 97 2.730 -6.966 9.149 1.00 71.32 C ATOM 1508 C LYS A 97 2.473 -7.113 10.659 1.00 21.34 C ATOM 1509 O LYS A 97 2.994 -6.350 11.473 1.00 23.11 O ATOM 1510 CB LYS A 97 4.210 -6.632 8.890 1.00 43.31 C ATOM 1511 CG LYS A 97 5.208 -7.563 9.586 1.00 0.33 C ATOM 1512 CD LYS A 97 5.204 -8.977 9.002 1.00 14.51 C ATOM 1513 CE LYS A 97 5.732 -9.005 7.569 1.00 44.02 C ATOM 1514 NZ LYS A 97 5.944 -10.393 7.082 1.00 4.31 N ATOM 0 H LYS A 97 2.342 -5.038 8.411 1.00 13.21 H new ATOM 0 HA LYS A 97 2.493 -7.914 8.666 1.00 71.32 H new ATOM 0 HB2 LYS A 97 4.393 -6.664 7.816 1.00 43.31 H new ATOM 0 HB3 LYS A 97 4.400 -5.609 9.216 1.00 43.31 H new ATOM 0 HG2 LYS A 97 6.210 -7.143 9.502 1.00 0.33 H new ATOM 0 HG3 LYS A 97 4.972 -7.613 10.649 1.00 0.33 H new ATOM 0 HD2 LYS A 97 5.815 -9.629 9.626 1.00 14.51 H new ATOM 0 HD3 LYS A 97 4.189 -9.375 9.023 1.00 14.51 H new ATOM 0 HE2 LYS A 97 5.027 -8.494 6.913 1.00 44.02 H new ATOM 0 HE3 LYS A 97 6.672 -8.455 7.518 1.00 44.02 H new ATOM 0 HZ1 LYS A 97 6.303 -10.368 6.106 1.00 4.31 H new ATOM 0 HZ2 LYS A 97 6.636 -10.873 7.692 1.00 4.31 H new ATOM 0 HZ3 LYS A 97 5.042 -10.911 7.106 1.00 4.31 H new