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= 0.475 K(o=0.75,f=-0.045) USER MOD Set 1.2: A 48 TYR OH : rot 141:sc= 0.278 USER MOD Single : A 19 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.14) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -19:sc= 0.321 USER MOD Single : A 34 SER OG : rot 59:sc= 1.21 USER MOD Single : A 41 ASN : amide:sc= -0.38 K(o=-0.38,f=-9.7!) USER MOD Single : A 44 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.57) USER MOD Single : A 47 ASN : amide:sc= -0.516 K(o=-0.52,f=-3.7!) USER MOD Single : A 50 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 170:sc=-0.00241 (180deg=-0.0955) USER MOD Single : A 53 GLN : amide:sc= 0.656 K(o=0.66,f=-0.01) USER MOD Single : A 58 SER OG : rot 154:sc= -0.63 USER MOD Single : A 61 TYR OH : rot -134:sc= 0.425 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0468 (180deg=-0.321) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0196 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 22:sc= 0.223 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -33:sc= 0.0643 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1.1,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= -0.0109 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.442 8.638 4.634 1.00 14.02 N ATOM 262 CA GLN A 19 14.210 9.142 5.253 1.00 63.14 C ATOM 263 C GLN A 19 13.576 8.086 6.171 1.00 25.55 C ATOM 264 O GLN A 19 13.741 6.879 5.966 1.00 70.32 O ATOM 265 CB GLN A 19 13.204 9.573 4.173 1.00 14.12 C ATOM 266 CG GLN A 19 13.674 10.744 3.317 1.00 30.00 C ATOM 267 CD GLN A 19 13.924 12.003 4.129 1.00 33.23 C ATOM 268 OE1 GLN A 19 15.028 12.243 4.610 1.00 23.45 O ATOM 269 NE2 GLN A 19 12.899 12.816 4.294 1.00 1.53 N ATOM 0 HA GLN A 19 14.473 10.008 5.861 1.00 63.14 H new ATOM 0 HB2 GLN A 19 12.997 8.722 3.524 1.00 14.12 H new ATOM 0 HB3 GLN A 19 12.264 9.843 4.654 1.00 14.12 H new ATOM 0 HG2 GLN A 19 14.591 10.464 2.798 1.00 30.00 H new ATOM 0 HG3 GLN A 19 12.926 10.953 2.552 1.00 30.00 H new ATOM 0 HE21 GLN A 19 11.995 12.587 3.881 1.00 1.53 H new ATOM 0 HE22 GLN A 19 13.010 13.674 4.835 1.00 1.53 H new ATOM 278 N ALA A 20 12.858 8.547 7.189 1.00 63.24 N ATOM 279 CA ALA A 20 12.223 7.653 8.158 1.00 33.03 C ATOM 280 C ALA A 20 10.808 7.255 7.716 1.00 62.53 C ATOM 281 O ALA A 20 10.043 8.083 7.222 1.00 42.03 O ATOM 282 CB ALA A 20 12.179 8.315 9.532 1.00 62.34 C ATOM 0 H ALA A 20 12.699 9.539 7.367 1.00 63.24 H new ATOM 0 HA ALA A 20 12.821 6.744 8.215 1.00 33.03 H new ATOM 0 HB1 ALA A 20 11.705 7.641 10.245 1.00 62.34 H new ATOM 0 HB2 ALA A 20 13.194 8.537 9.862 1.00 62.34 H new ATOM 0 HB3 ALA A 20 11.607 9.241 9.472 1.00 62.34 H new ATOM 288 N PHE A 21 10.473 5.979 7.905 1.00 63.04 N ATOM 289 CA PHE A 21 9.137 5.458 7.587 1.00 41.32 C ATOM 290 C PHE A 21 8.160 5.672 8.757 1.00 3.13 C ATOM 291 O PHE A 21 8.277 5.006 9.790 1.00 52.02 O ATOM 292 CB PHE A 21 9.210 3.953 7.277 1.00 0.04 C ATOM 293 CG PHE A 21 9.977 3.602 6.025 1.00 14.01 C ATOM 294 CD1 PHE A 21 9.449 3.880 4.772 1.00 34.33 C ATOM 295 CD2 PHE A 21 11.218 2.986 6.102 1.00 24.21 C ATOM 296 CE1 PHE A 21 10.145 3.551 3.624 1.00 14.43 C ATOM 297 CE2 PHE A 21 11.917 2.658 4.957 1.00 22.41 C ATOM 298 CZ PHE A 21 11.380 2.939 3.718 1.00 22.25 C ATOM 0 H PHE A 21 11.113 5.279 8.280 1.00 63.04 H new ATOM 0 HA PHE A 21 8.775 6.003 6.715 1.00 41.32 H new ATOM 0 HB2 PHE A 21 9.671 3.444 8.123 1.00 0.04 H new ATOM 0 HB3 PHE A 21 8.195 3.565 7.186 1.00 0.04 H new ATOM 0 HD1 PHE A 21 8.484 4.359 4.693 1.00 34.33 H new ATOM 0 HD2 PHE A 21 11.642 2.760 7.069 1.00 24.21 H new ATOM 0 HE1 PHE A 21 9.724 3.772 2.654 1.00 14.43 H new ATOM 0 HE2 PHE A 21 12.883 2.182 5.032 1.00 22.41 H new ATOM 0 HZ PHE A 21 11.925 2.681 2.822 1.00 22.25 H new ATOM 308 N PRO A 22 7.185 6.598 8.631 1.00 71.22 N ATOM 309 CA PRO A 22 6.154 6.776 9.656 1.00 12.43 C ATOM 310 C PRO A 22 5.002 5.767 9.484 1.00 55.31 C ATOM 311 O PRO A 22 4.087 5.967 8.679 1.00 0.32 O ATOM 312 CB PRO A 22 5.683 8.214 9.409 1.00 25.10 C ATOM 313 CG PRO A 22 5.858 8.421 7.935 1.00 0.42 C ATOM 314 CD PRO A 22 7.019 7.545 7.509 1.00 1.11 C ATOM 0 HA PRO A 22 6.519 6.608 10.669 1.00 12.43 H new ATOM 0 HB2 PRO A 22 4.643 8.347 9.707 1.00 25.10 H new ATOM 0 HB3 PRO A 22 6.273 8.929 9.983 1.00 25.10 H new ATOM 0 HG2 PRO A 22 4.950 8.151 7.395 1.00 0.42 H new ATOM 0 HG3 PRO A 22 6.061 9.469 7.712 1.00 0.42 H new ATOM 0 HD2 PRO A 22 6.804 7.024 6.576 1.00 1.11 H new ATOM 0 HD3 PRO A 22 7.923 8.132 7.346 1.00 1.11 H new ATOM 322 N ARG A 23 5.040 4.683 10.256 1.00 52.41 N ATOM 323 CA ARG A 23 4.073 3.595 10.083 1.00 42.34 C ATOM 324 C ARG A 23 2.748 3.885 10.804 1.00 24.53 C ATOM 325 O ARG A 23 1.708 3.349 10.437 1.00 24.15 O ATOM 326 CB ARG A 23 4.675 2.256 10.541 1.00 54.12 C ATOM 327 CG ARG A 23 4.893 2.121 12.047 1.00 14.13 C ATOM 328 CD ARG A 23 5.636 0.826 12.382 1.00 73.45 C ATOM 329 NE ARG A 23 5.642 0.532 13.815 1.00 11.12 N ATOM 330 CZ ARG A 23 6.687 0.104 14.475 1.00 73.25 C ATOM 331 NH1 ARG A 23 7.845 0.024 13.901 1.00 31.30 N ATOM 332 NH2 ARG A 23 6.573 -0.235 15.718 1.00 44.13 N ATOM 0 H ARG A 23 5.721 4.533 11.000 1.00 52.41 H new ATOM 0 HA ARG A 23 3.846 3.522 9.019 1.00 42.34 H new ATOM 0 HB2 ARG A 23 4.020 1.450 10.211 1.00 54.12 H new ATOM 0 HB3 ARG A 23 5.632 2.115 10.038 1.00 54.12 H new ATOM 0 HG2 ARG A 23 5.462 2.976 12.413 1.00 14.13 H new ATOM 0 HG3 ARG A 23 3.931 2.135 12.560 1.00 14.13 H new ATOM 0 HD2 ARG A 23 5.172 -0.003 11.847 1.00 73.45 H new ATOM 0 HD3 ARG A 23 6.664 0.899 12.026 1.00 73.45 H new ATOM 0 HE ARG A 23 4.774 0.670 14.333 1.00 11.12 H new ATOM 0 HH11 ARG A 23 7.950 0.296 12.924 1.00 31.30 H new ATOM 0 HH12 ARG A 23 8.652 -0.311 14.426 1.00 31.30 H new ATOM 0 HH21 ARG A 23 5.668 -0.169 16.184 1.00 44.13 H new ATOM 0 HH22 ARG A 23 7.388 -0.569 16.232 1.00 44.13 H new ATOM 346 N LYS A 24 2.783 4.758 11.812 1.00 72.14 N ATOM 347 CA LYS A 24 1.561 5.180 12.512 1.00 32.14 C ATOM 348 C LYS A 24 0.575 5.865 11.553 1.00 64.21 C ATOM 349 O LYS A 24 -0.623 5.934 11.821 1.00 5.43 O ATOM 350 CB LYS A 24 1.894 6.128 13.670 1.00 62.43 C ATOM 351 CG LYS A 24 2.668 5.471 14.810 1.00 55.32 C ATOM 352 CD LYS A 24 2.795 6.406 16.009 1.00 62.13 C ATOM 353 CE LYS A 24 3.460 5.721 17.193 1.00 3.11 C ATOM 354 NZ LYS A 24 3.422 6.566 18.412 1.00 23.42 N ATOM 0 H LYS A 24 3.639 5.187 12.164 1.00 72.14 H new ATOM 0 HA LYS A 24 1.091 4.281 12.911 1.00 32.14 H new ATOM 0 HB2 LYS A 24 2.477 6.965 13.284 1.00 62.43 H new ATOM 0 HB3 LYS A 24 0.966 6.541 14.066 1.00 62.43 H new ATOM 0 HG2 LYS A 24 2.163 4.554 15.114 1.00 55.32 H new ATOM 0 HG3 LYS A 24 3.661 5.187 14.461 1.00 55.32 H new ATOM 0 HD2 LYS A 24 3.375 7.284 15.725 1.00 62.13 H new ATOM 0 HD3 LYS A 24 1.806 6.758 16.302 1.00 62.13 H new ATOM 0 HE2 LYS A 24 2.960 4.773 17.392 1.00 3.11 H new ATOM 0 HE3 LYS A 24 4.495 5.489 16.944 1.00 3.11 H new ATOM 0 HZ1 LYS A 24 3.885 6.064 19.197 1.00 23.42 H new ATOM 0 HZ2 LYS A 24 3.921 7.460 18.230 1.00 23.42 H new ATOM 0 HZ3 LYS A 24 2.433 6.767 18.665 1.00 23.42 H new ATOM 368 N PHE A 25 1.096 6.404 10.453 1.00 50.03 N ATOM 369 CA PHE A 25 0.260 6.999 9.410 1.00 1.32 C ATOM 370 C PHE A 25 0.009 6.005 8.264 1.00 11.33 C ATOM 371 O PHE A 25 -1.127 5.806 7.841 1.00 50.31 O ATOM 372 CB PHE A 25 0.907 8.277 8.867 1.00 24.43 C ATOM 373 CG PHE A 25 1.068 9.366 9.901 1.00 14.34 C ATOM 374 CD1 PHE A 25 0.032 10.256 10.157 1.00 62.32 C ATOM 375 CD2 PHE A 25 2.251 9.502 10.612 1.00 64.32 C ATOM 376 CE1 PHE A 25 0.177 11.256 11.099 1.00 5.23 C ATOM 377 CE2 PHE A 25 2.399 10.501 11.556 1.00 72.22 C ATOM 378 CZ PHE A 25 1.362 11.378 11.799 1.00 12.11 C ATOM 0 H PHE A 25 2.097 6.441 10.259 1.00 50.03 H new ATOM 0 HA PHE A 25 -0.701 7.252 9.858 1.00 1.32 H new ATOM 0 HB2 PHE A 25 1.886 8.031 8.457 1.00 24.43 H new ATOM 0 HB3 PHE A 25 0.303 8.657 8.043 1.00 24.43 H new ATOM 0 HD1 PHE A 25 -0.897 10.165 9.614 1.00 62.32 H new ATOM 0 HD2 PHE A 25 3.067 8.819 10.426 1.00 64.32 H new ATOM 0 HE1 PHE A 25 -0.635 11.942 11.288 1.00 5.23 H new ATOM 0 HE2 PHE A 25 3.326 10.595 12.103 1.00 72.22 H new ATOM 0 HZ PHE A 25 1.476 12.159 12.536 1.00 12.11 H new ATOM 388 N VAL A 26 1.078 5.375 7.771 1.00 35.13 N ATOM 389 CA VAL A 26 0.965 4.421 6.658 1.00 5.11 C ATOM 390 C VAL A 26 0.107 3.196 7.029 1.00 0.23 C ATOM 391 O VAL A 26 -0.858 2.874 6.336 1.00 72.43 O ATOM 392 CB VAL A 26 2.354 3.944 6.165 1.00 23.04 C ATOM 393 CG1 VAL A 26 2.205 2.990 4.984 1.00 11.33 C ATOM 394 CG2 VAL A 26 3.237 5.131 5.786 1.00 70.32 C ATOM 0 H VAL A 26 2.027 5.505 8.120 1.00 35.13 H new ATOM 0 HA VAL A 26 0.470 4.960 5.851 1.00 5.11 H new ATOM 0 HB VAL A 26 2.837 3.410 6.983 1.00 23.04 H new ATOM 0 HG11 VAL A 26 3.191 2.666 4.652 1.00 11.33 H new ATOM 0 HG12 VAL A 26 1.621 2.122 5.289 1.00 11.33 H new ATOM 0 HG13 VAL A 26 1.696 3.500 4.166 1.00 11.33 H new ATOM 0 HG21 VAL A 26 4.206 4.769 5.443 1.00 70.32 H new ATOM 0 HG22 VAL A 26 2.759 5.700 4.988 1.00 70.32 H new ATOM 0 HG23 VAL A 26 3.377 5.773 6.656 1.00 70.32 H new ATOM 404 N LEU A 27 0.458 2.516 8.122 1.00 53.12 N ATOM 405 CA LEU A 27 -0.315 1.354 8.587 1.00 61.03 C ATOM 406 C LEU A 27 -1.743 1.760 8.983 1.00 54.34 C ATOM 407 O LEU A 27 -2.689 0.993 8.799 1.00 43.02 O ATOM 408 CB LEU A 27 0.389 0.667 9.767 1.00 43.51 C ATOM 409 CG LEU A 27 1.731 -0.006 9.431 1.00 4.31 C ATOM 410 CD1 LEU A 27 2.367 -0.602 10.684 1.00 2.24 C ATOM 411 CD2 LEU A 27 1.541 -1.082 8.365 1.00 50.34 C ATOM 0 H LEU A 27 1.266 2.745 8.701 1.00 53.12 H new ATOM 0 HA LEU A 27 -0.378 0.647 7.760 1.00 61.03 H new ATOM 0 HB2 LEU A 27 0.559 1.408 10.549 1.00 43.51 H new ATOM 0 HB3 LEU A 27 -0.282 -0.085 10.181 1.00 43.51 H new ATOM 0 HG LEU A 27 2.403 0.756 9.036 1.00 4.31 H new ATOM 0 HD11 LEU A 27 3.315 -1.073 10.422 1.00 2.24 H new ATOM 0 HD12 LEU A 27 2.543 0.188 11.414 1.00 2.24 H new ATOM 0 HD13 LEU A 27 1.698 -1.348 11.112 1.00 2.24 H new ATOM 0 HD21 LEU A 27 2.502 -1.546 8.141 1.00 50.34 H new ATOM 0 HD22 LEU A 27 0.849 -1.840 8.732 1.00 50.34 H new ATOM 0 HD23 LEU A 27 1.137 -0.630 7.459 1.00 50.34 H new ATOM 423 N ALA A 28 -1.894 2.971 9.516 1.00 14.42 N ATOM 424 CA ALA A 28 -3.216 3.512 9.856 1.00 63.24 C ATOM 425 C ALA A 28 -4.088 3.689 8.604 1.00 62.42 C ATOM 426 O ALA A 28 -5.276 3.364 8.606 1.00 63.31 O ATOM 427 CB ALA A 28 -3.073 4.837 10.586 1.00 33.25 C ATOM 0 H ALA A 28 -1.118 3.600 9.723 1.00 14.42 H new ATOM 0 HA ALA A 28 -3.710 2.795 10.512 1.00 63.24 H new ATOM 0 HB1 ALA A 28 -4.061 5.226 10.831 1.00 33.25 H new ATOM 0 HB2 ALA A 28 -2.504 4.687 11.503 1.00 33.25 H new ATOM 0 HB3 ALA A 28 -2.551 5.550 9.947 1.00 33.25 H new ATOM 433 N ALA A 29 -3.497 4.220 7.539 1.00 73.35 N ATOM 434 CA ALA A 29 -4.186 4.343 6.252 1.00 32.35 C ATOM 435 C ALA A 29 -4.484 2.960 5.661 1.00 71.03 C ATOM 436 O ALA A 29 -5.561 2.713 5.116 1.00 51.24 O ATOM 437 CB ALA A 29 -3.342 5.165 5.284 1.00 31.13 C ATOM 0 H ALA A 29 -2.540 4.574 7.538 1.00 73.35 H new ATOM 0 HA ALA A 29 -5.135 4.854 6.414 1.00 32.35 H new ATOM 0 HB1 ALA A 29 -3.862 5.251 4.330 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -3.178 6.160 5.699 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -2.382 4.673 5.130 1.00 31.13 H new ATOM 443 N LEU A 30 -3.516 2.060 5.795 1.00 24.12 N ATOM 444 CA LEU A 30 -3.631 0.692 5.291 1.00 41.35 C ATOM 445 C LEU A 30 -4.816 -0.049 5.933 1.00 11.42 C ATOM 446 O LEU A 30 -5.684 -0.565 5.228 1.00 63.00 O ATOM 447 CB LEU A 30 -2.317 -0.058 5.553 1.00 34.15 C ATOM 448 CG LEU A 30 -2.247 -1.506 5.040 1.00 34.43 C ATOM 449 CD1 LEU A 30 -2.543 -1.571 3.544 1.00 34.33 C ATOM 450 CD2 LEU A 30 -0.875 -2.106 5.343 1.00 13.02 C ATOM 0 H LEU A 30 -2.628 2.256 6.256 1.00 24.12 H new ATOM 0 HA LEU A 30 -3.820 0.732 4.218 1.00 41.35 H new ATOM 0 HB2 LEU A 30 -1.504 0.507 5.097 1.00 34.15 H new ATOM 0 HB3 LEU A 30 -2.136 -0.066 6.628 1.00 34.15 H new ATOM 0 HG LEU A 30 -3.008 -2.091 5.558 1.00 34.43 H new ATOM 0 HD11 LEU A 30 -2.487 -2.606 3.207 1.00 34.33 H new ATOM 0 HD12 LEU A 30 -3.543 -1.181 3.354 1.00 34.33 H new ATOM 0 HD13 LEU A 30 -1.811 -0.973 3.002 1.00 34.33 H new ATOM 0 HD21 LEU A 30 -0.837 -3.131 4.975 1.00 13.02 H new ATOM 0 HD22 LEU A 30 -0.103 -1.515 4.851 1.00 13.02 H new ATOM 0 HD23 LEU A 30 -0.705 -2.100 6.420 1.00 13.02 H new ATOM 462 N GLU A 31 -4.862 -0.079 7.267 1.00 52.12 N ATOM 463 CA GLU A 31 -5.944 -0.766 7.985 1.00 2.42 C ATOM 464 C GLU A 31 -7.318 -0.169 7.635 1.00 50.22 C ATOM 465 O GLU A 31 -8.295 -0.894 7.456 1.00 73.24 O ATOM 466 CB GLU A 31 -5.718 -0.706 9.507 1.00 71.33 C ATOM 467 CG GLU A 31 -5.698 0.710 10.078 1.00 52.23 C ATOM 468 CD GLU A 31 -5.543 0.746 11.591 1.00 74.00 C ATOM 469 OE1 GLU A 31 -4.399 0.634 12.083 1.00 32.21 O ATOM 470 OE2 GLU A 31 -6.565 0.881 12.296 1.00 43.31 O ATOM 0 H GLU A 31 -4.168 0.361 7.871 1.00 52.12 H new ATOM 0 HA GLU A 31 -5.933 -1.809 7.668 1.00 2.42 H new ATOM 0 HB2 GLU A 31 -6.504 -1.275 10.003 1.00 71.33 H new ATOM 0 HB3 GLU A 31 -4.773 -1.195 9.743 1.00 71.33 H new ATOM 0 HG2 GLU A 31 -4.879 1.267 9.622 1.00 52.23 H new ATOM 0 HG3 GLU A 31 -6.622 1.219 9.802 1.00 52.23 H new ATOM 477 N GLN A 32 -7.381 1.158 7.525 1.00 62.11 N ATOM 478 CA GLN A 32 -8.623 1.845 7.148 1.00 10.41 C ATOM 479 C GLN A 32 -8.987 1.594 5.678 1.00 30.31 C ATOM 480 O GLN A 32 -10.157 1.665 5.295 1.00 35.30 O ATOM 481 CB GLN A 32 -8.498 3.352 7.409 1.00 22.40 C ATOM 482 CG GLN A 32 -8.317 3.705 8.883 1.00 23.05 C ATOM 483 CD GLN A 32 -8.188 5.202 9.118 1.00 15.15 C ATOM 484 OE1 GLN A 32 -9.175 5.897 9.334 1.00 30.53 O ATOM 485 NE2 GLN A 32 -6.973 5.712 9.071 1.00 62.35 N ATOM 0 H GLN A 32 -6.590 1.780 7.691 1.00 62.11 H new ATOM 0 HA GLN A 32 -9.424 1.438 7.764 1.00 10.41 H new ATOM 0 HB2 GLN A 32 -7.651 3.741 6.844 1.00 22.40 H new ATOM 0 HB3 GLN A 32 -9.389 3.853 7.031 1.00 22.40 H new ATOM 0 HG2 GLN A 32 -9.167 3.325 9.450 1.00 23.05 H new ATOM 0 HG3 GLN A 32 -7.428 3.204 9.266 1.00 23.05 H new ATOM 0 HE21 GLN A 32 -6.172 5.107 8.889 1.00 62.35 H new ATOM 0 HE22 GLN A 32 -6.834 6.712 9.217 1.00 62.35 H new ATOM 494 N SER A 33 -7.979 1.317 4.853 1.00 64.13 N ATOM 495 CA SER A 33 -8.197 0.975 3.438 1.00 34.44 C ATOM 496 C SER A 33 -8.447 -0.531 3.262 1.00 34.23 C ATOM 497 O SER A 33 -8.833 -0.986 2.183 1.00 11.20 O ATOM 498 CB SER A 33 -6.988 1.397 2.590 1.00 31.05 C ATOM 499 OG SER A 33 -7.176 1.088 1.217 1.00 55.04 O ATOM 0 H SER A 33 -6.999 1.321 5.136 1.00 64.13 H new ATOM 0 HA SER A 33 -9.081 1.516 3.101 1.00 34.44 H new ATOM 0 HB2 SER A 33 -6.821 2.468 2.702 1.00 31.05 H new ATOM 0 HB3 SER A 33 -6.093 0.895 2.957 1.00 31.05 H new ATOM 0 HG SER A 33 -7.881 0.413 1.127 1.00 55.04 H new ATOM 505 N SER A 34 -8.206 -1.300 4.322 1.00 25.32 N ATOM 506 CA SER A 34 -8.415 -2.755 4.296 1.00 5.54 C ATOM 507 C SER A 34 -9.887 -3.114 4.519 1.00 75.52 C ATOM 508 O SER A 34 -10.498 -2.699 5.506 1.00 32.33 O ATOM 509 CB SER A 34 -7.555 -3.452 5.364 1.00 20.44 C ATOM 510 OG SER A 34 -6.169 -3.284 5.110 1.00 74.33 O ATOM 0 H SER A 34 -7.865 -0.943 5.214 1.00 25.32 H new ATOM 0 HA SER A 34 -8.115 -3.103 3.308 1.00 5.54 H new ATOM 0 HB2 SER A 34 -7.797 -3.048 6.347 1.00 20.44 H new ATOM 0 HB3 SER A 34 -7.795 -4.515 5.388 1.00 20.44 H new ATOM 0 HG SER A 34 -5.953 -2.328 5.092 1.00 74.33 H new ATOM 516 N ASP A 35 -10.445 -3.894 3.600 1.00 13.52 N ATOM 517 CA ASP A 35 -11.831 -4.359 3.712 1.00 24.12 C ATOM 518 C ASP A 35 -11.982 -5.417 4.824 1.00 62.00 C ATOM 519 O ASP A 35 -11.016 -5.754 5.516 1.00 52.33 O ATOM 520 CB ASP A 35 -12.291 -4.931 2.368 1.00 12.43 C ATOM 521 CG ASP A 35 -12.339 -3.872 1.277 1.00 3.51 C ATOM 522 OD1 ASP A 35 -13.119 -2.908 1.418 1.00 4.11 O ATOM 523 OD2 ASP A 35 -11.590 -3.991 0.283 1.00 71.30 O ATOM 0 H ASP A 35 -9.960 -4.221 2.764 1.00 13.52 H new ATOM 0 HA ASP A 35 -12.458 -3.508 3.979 1.00 24.12 H new ATOM 0 HB2 ASP A 35 -11.615 -5.731 2.066 1.00 12.43 H new ATOM 0 HB3 ASP A 35 -13.279 -5.375 2.484 1.00 12.43 H new ATOM 528 N ASP A 36 -13.197 -5.940 4.992 1.00 31.35 N ATOM 529 CA ASP A 36 -13.487 -6.941 6.030 1.00 63.55 C ATOM 530 C ASP A 36 -12.524 -8.147 5.971 1.00 2.51 C ATOM 531 O ASP A 36 -12.192 -8.739 6.999 1.00 74.22 O ATOM 532 CB ASP A 36 -14.937 -7.419 5.897 1.00 0.44 C ATOM 533 CG ASP A 36 -15.318 -8.444 6.951 1.00 3.10 C ATOM 534 OD1 ASP A 36 -15.600 -8.045 8.100 1.00 53.23 O ATOM 535 OD2 ASP A 36 -15.330 -9.654 6.638 1.00 22.30 O ATOM 0 H ASP A 36 -14.004 -5.688 4.421 1.00 31.35 H new ATOM 0 HA ASP A 36 -13.341 -6.461 6.998 1.00 63.55 H new ATOM 0 HB2 ASP A 36 -15.606 -6.562 5.972 1.00 0.44 H new ATOM 0 HB3 ASP A 36 -15.083 -7.851 4.907 1.00 0.44 H new ATOM 540 N ALA A 37 -12.053 -8.486 4.771 1.00 62.04 N ATOM 541 CA ALA A 37 -11.188 -9.659 4.577 1.00 74.04 C ATOM 542 C ALA A 37 -9.741 -9.412 5.047 1.00 34.24 C ATOM 543 O ALA A 37 -8.899 -10.309 4.987 1.00 63.45 O ATOM 544 CB ALA A 37 -11.201 -10.077 3.109 1.00 4.40 C ATOM 0 H ALA A 37 -12.254 -7.967 3.916 1.00 62.04 H new ATOM 0 HA ALA A 37 -11.590 -10.463 5.194 1.00 74.04 H new ATOM 0 HB1 ALA A 37 -10.558 -10.947 2.973 1.00 4.40 H new ATOM 0 HB2 ALA A 37 -12.219 -10.328 2.811 1.00 4.40 H new ATOM 0 HB3 ALA A 37 -10.835 -9.255 2.493 1.00 4.40 H new ATOM 550 N GLY A 38 -9.461 -8.199 5.522 1.00 1.30 N ATOM 551 CA GLY A 38 -8.120 -7.865 5.994 1.00 73.35 C ATOM 552 C GLY A 38 -7.139 -7.575 4.861 1.00 11.52 C ATOM 553 O GLY A 38 -5.933 -7.775 5.008 1.00 61.11 O ATOM 0 H GLY A 38 -10.138 -7.439 5.590 1.00 1.30 H new ATOM 0 HA2 GLY A 38 -8.178 -6.995 6.647 1.00 73.35 H new ATOM 0 HA3 GLY A 38 -7.737 -8.690 6.595 1.00 73.35 H new ATOM 557 N TRP A 39 -7.660 -7.104 3.732 1.00 45.44 N ATOM 558 CA TRP A 39 -6.832 -6.774 2.565 1.00 54.34 C ATOM 559 C TRP A 39 -7.203 -5.402 1.993 1.00 23.24 C ATOM 560 O TRP A 39 -8.380 -5.037 1.932 1.00 31.52 O ATOM 561 CB TRP A 39 -6.985 -7.843 1.472 1.00 31.11 C ATOM 562 CG TRP A 39 -6.384 -9.168 1.835 1.00 4.34 C ATOM 563 CD1 TRP A 39 -7.033 -10.260 2.336 1.00 14.14 C ATOM 564 CD2 TRP A 39 -5.002 -9.534 1.730 1.00 40.15 C ATOM 565 NE1 TRP A 39 -6.141 -11.282 2.545 1.00 21.22 N ATOM 566 CE2 TRP A 39 -4.889 -10.862 2.179 1.00 11.52 C ATOM 567 CE3 TRP A 39 -3.850 -8.872 1.293 1.00 31.31 C ATOM 568 CZ2 TRP A 39 -3.674 -11.537 2.209 1.00 62.02 C ATOM 569 CZ3 TRP A 39 -2.641 -9.542 1.324 1.00 72.43 C ATOM 570 CH2 TRP A 39 -2.563 -10.865 1.777 1.00 24.12 C ATOM 0 H TRP A 39 -8.657 -6.940 3.595 1.00 45.44 H new ATOM 0 HA TRP A 39 -5.794 -6.745 2.897 1.00 54.34 H new ATOM 0 HB2 TRP A 39 -8.045 -7.981 1.258 1.00 31.11 H new ATOM 0 HB3 TRP A 39 -6.519 -7.482 0.555 1.00 31.11 H new ATOM 0 HD1 TRP A 39 -8.093 -10.312 2.538 1.00 14.14 H new ATOM 0 HE1 TRP A 39 -6.373 -12.205 2.913 1.00 21.22 H new ATOM 0 HE3 TRP A 39 -3.904 -7.854 0.937 1.00 31.31 H new ATOM 0 HZ2 TRP A 39 -3.609 -12.556 2.561 1.00 62.02 H new ATOM 0 HZ3 TRP A 39 -1.744 -9.038 0.994 1.00 72.43 H new ATOM 0 HH2 TRP A 39 -1.606 -11.365 1.786 1.00 24.12 H new ATOM 581 N ALA A 40 -6.191 -4.642 1.588 1.00 11.21 N ATOM 582 CA ALA A 40 -6.393 -3.329 0.967 1.00 53.11 C ATOM 583 C ALA A 40 -5.885 -3.313 -0.481 1.00 24.31 C ATOM 584 O ALA A 40 -4.721 -3.609 -0.737 1.00 64.05 O ATOM 585 CB ALA A 40 -5.679 -2.255 1.781 1.00 62.21 C ATOM 0 H ALA A 40 -5.212 -4.913 1.678 1.00 11.21 H new ATOM 0 HA ALA A 40 -7.463 -3.123 0.951 1.00 53.11 H new ATOM 0 HB1 ALA A 40 -5.833 -1.282 1.314 1.00 62.21 H new ATOM 0 HB2 ALA A 40 -6.081 -2.239 2.794 1.00 62.21 H new ATOM 0 HB3 ALA A 40 -4.612 -2.475 1.817 1.00 62.21 H new ATOM 591 N ASN A 41 -6.761 -2.972 -1.424 1.00 14.53 N ATOM 592 CA ASN A 41 -6.367 -2.854 -2.833 1.00 3.15 C ATOM 593 C ASN A 41 -5.341 -1.719 -3.006 1.00 31.53 C ATOM 594 O ASN A 41 -5.537 -0.620 -2.490 1.00 24.11 O ATOM 595 CB ASN A 41 -7.608 -2.591 -3.702 1.00 13.02 C ATOM 596 CG ASN A 41 -7.315 -2.582 -5.197 1.00 11.32 C ATOM 597 OD1 ASN A 41 -6.222 -2.249 -5.636 1.00 43.01 O ATOM 598 ND2 ASN A 41 -8.303 -2.932 -5.992 1.00 4.02 N ATOM 0 H ASN A 41 -7.745 -2.773 -1.243 1.00 14.53 H new ATOM 0 HA ASN A 41 -5.905 -3.788 -3.152 1.00 3.15 H new ATOM 0 HB2 ASN A 41 -8.357 -3.354 -3.492 1.00 13.02 H new ATOM 0 HB3 ASN A 41 -8.042 -1.632 -3.420 1.00 13.02 H new ATOM 0 HD21 ASN A 41 -8.169 -2.931 -7.003 1.00 4.02 H new ATOM 0 HD22 ASN A 41 -9.203 -3.205 -5.597 1.00 4.02 H new ATOM 605 N LEU A 42 -4.253 -1.995 -3.732 1.00 44.44 N ATOM 606 CA LEU A 42 -3.198 -0.997 -3.986 1.00 31.43 C ATOM 607 C LEU A 42 -3.787 0.359 -4.424 1.00 10.14 C ATOM 608 O LEU A 42 -3.313 1.418 -4.006 1.00 44.40 O ATOM 609 CB LEU A 42 -2.231 -1.516 -5.061 1.00 24.32 C ATOM 610 CG LEU A 42 -1.063 -0.577 -5.410 1.00 13.01 C ATOM 611 CD1 LEU A 42 -0.153 -0.363 -4.199 1.00 24.03 C ATOM 612 CD2 LEU A 42 -0.271 -1.127 -6.594 1.00 14.01 C ATOM 0 H LEU A 42 -4.076 -2.905 -4.158 1.00 44.44 H new ATOM 0 HA LEU A 42 -2.659 -0.841 -3.052 1.00 31.43 H new ATOM 0 HB2 LEU A 42 -1.821 -2.469 -4.726 1.00 24.32 H new ATOM 0 HB3 LEU A 42 -2.799 -1.715 -5.970 1.00 24.32 H new ATOM 0 HG LEU A 42 -1.476 0.391 -5.693 1.00 13.01 H new ATOM 0 HD11 LEU A 42 0.665 0.304 -4.472 1.00 24.03 H new ATOM 0 HD12 LEU A 42 -0.728 0.081 -3.386 1.00 24.03 H new ATOM 0 HD13 LEU A 42 0.253 -1.321 -3.875 1.00 24.03 H new ATOM 0 HD21 LEU A 42 0.551 -0.451 -6.827 1.00 14.01 H new ATOM 0 HD22 LEU A 42 0.128 -2.109 -6.340 1.00 14.01 H new ATOM 0 HD23 LEU A 42 -0.926 -1.214 -7.461 1.00 14.01 H new ATOM 624 N GLY A 43 -4.827 0.307 -5.258 1.00 63.11 N ATOM 625 CA GLY A 43 -5.497 1.523 -5.714 1.00 52.33 C ATOM 626 C GLY A 43 -6.139 2.316 -4.576 1.00 64.22 C ATOM 627 O GLY A 43 -6.146 3.552 -4.593 1.00 0.11 O ATOM 0 H GLY A 43 -5.220 -0.558 -5.628 1.00 63.11 H new ATOM 0 HA2 GLY A 43 -4.775 2.157 -6.229 1.00 52.33 H new ATOM 0 HA3 GLY A 43 -6.264 1.257 -6.442 1.00 52.33 H new ATOM 631 N ASN A 44 -6.673 1.606 -3.584 1.00 44.45 N ATOM 632 CA ASN A 44 -7.277 2.244 -2.407 1.00 12.04 C ATOM 633 C ASN A 44 -6.194 2.729 -1.431 1.00 74.31 C ATOM 634 O ASN A 44 -6.286 3.826 -0.878 1.00 42.04 O ATOM 635 CB ASN A 44 -8.224 1.272 -1.689 1.00 32.53 C ATOM 636 CG ASN A 44 -9.346 0.771 -2.578 1.00 63.12 C ATOM 637 OD1 ASN A 44 -9.747 1.431 -3.532 1.00 34.55 O ATOM 638 ND2 ASN A 44 -9.879 -0.394 -2.260 1.00 25.10 N ATOM 0 H ASN A 44 -6.702 0.587 -3.568 1.00 44.45 H new ATOM 0 HA ASN A 44 -7.849 3.105 -2.752 1.00 12.04 H new ATOM 0 HB2 ASN A 44 -7.651 0.420 -1.322 1.00 32.53 H new ATOM 0 HB3 ASN A 44 -8.652 1.768 -0.818 1.00 32.53 H new ATOM 0 HD21 ASN A 44 -10.648 -0.771 -2.814 1.00 25.10 H new ATOM 0 HD22 ASN A 44 -9.522 -0.917 -1.461 1.00 25.10 H new ATOM 645 N PHE A 45 -5.169 1.902 -1.235 1.00 14.52 N ATOM 646 CA PHE A 45 -4.058 2.231 -0.336 1.00 52.10 C ATOM 647 C PHE A 45 -3.339 3.516 -0.777 1.00 1.24 C ATOM 648 O PHE A 45 -3.203 4.457 0.003 1.00 62.22 O ATOM 649 CB PHE A 45 -3.065 1.061 -0.280 1.00 61.50 C ATOM 650 CG PHE A 45 -1.854 1.319 0.589 1.00 61.24 C ATOM 651 CD1 PHE A 45 -1.998 1.587 1.943 1.00 25.54 C ATOM 652 CD2 PHE A 45 -0.571 1.285 0.053 1.00 3.13 C ATOM 653 CE1 PHE A 45 -0.893 1.817 2.741 1.00 53.40 C ATOM 654 CE2 PHE A 45 0.535 1.516 0.849 1.00 1.41 C ATOM 655 CZ PHE A 45 0.373 1.780 2.194 1.00 54.21 C ATOM 0 H PHE A 45 -5.082 0.993 -1.689 1.00 14.52 H new ATOM 0 HA PHE A 45 -4.469 2.404 0.659 1.00 52.10 H new ATOM 0 HB2 PHE A 45 -3.583 0.176 0.091 1.00 61.50 H new ATOM 0 HB3 PHE A 45 -2.731 0.834 -1.292 1.00 61.50 H new ATOM 0 HD1 PHE A 45 -2.986 1.616 2.379 1.00 25.54 H new ATOM 0 HD2 PHE A 45 -0.437 1.076 -0.998 1.00 3.13 H new ATOM 0 HE1 PHE A 45 -1.021 2.026 3.793 1.00 53.40 H new ATOM 0 HE2 PHE A 45 1.525 1.490 0.419 1.00 1.41 H new ATOM 0 HZ PHE A 45 1.237 1.957 2.818 1.00 54.21 H new ATOM 665 N GLY A 46 -2.897 3.556 -2.035 1.00 60.24 N ATOM 666 CA GLY A 46 -2.225 4.744 -2.562 1.00 10.33 C ATOM 667 C GLY A 46 -3.093 5.997 -2.488 1.00 73.50 C ATOM 668 O GLY A 46 -2.583 7.117 -2.402 1.00 35.14 O ATOM 0 H GLY A 46 -2.991 2.789 -2.701 1.00 60.24 H new ATOM 0 HA2 GLY A 46 -1.304 4.912 -2.004 1.00 10.33 H new ATOM 0 HA3 GLY A 46 -1.941 4.565 -3.599 1.00 10.33 H new ATOM 672 N ASN A 47 -4.408 5.801 -2.513 1.00 63.02 N ATOM 673 CA ASN A 47 -5.370 6.901 -2.406 1.00 0.14 C ATOM 674 C ASN A 47 -5.453 7.417 -0.959 1.00 43.34 C ATOM 675 O ASN A 47 -5.053 8.546 -0.662 1.00 71.25 O ATOM 676 CB ASN A 47 -6.752 6.416 -2.877 1.00 72.43 C ATOM 677 CG ASN A 47 -7.780 7.532 -2.988 1.00 21.14 C ATOM 678 OD1 ASN A 47 -7.722 8.528 -2.274 1.00 73.12 O ATOM 679 ND2 ASN A 47 -8.735 7.369 -3.880 1.00 13.14 N ATOM 0 H ASN A 47 -4.838 4.881 -2.607 1.00 63.02 H new ATOM 0 HA ASN A 47 -5.037 7.724 -3.038 1.00 0.14 H new ATOM 0 HB2 ASN A 47 -6.647 5.931 -3.848 1.00 72.43 H new ATOM 0 HB3 ASN A 47 -7.120 5.661 -2.182 1.00 72.43 H new ATOM 0 HD21 ASN A 47 -9.455 8.083 -3.993 1.00 13.14 H new ATOM 0 HD22 ASN A 47 -8.755 6.529 -4.458 1.00 13.14 H new ATOM 686 N TYR A 48 -5.951 6.569 -0.058 1.00 13.51 N ATOM 687 CA TYR A 48 -6.194 6.964 1.335 1.00 43.25 C ATOM 688 C TYR A 48 -4.889 7.341 2.059 1.00 1.42 C ATOM 689 O TYR A 48 -4.877 8.240 2.904 1.00 71.21 O ATOM 690 CB TYR A 48 -6.919 5.841 2.088 1.00 22.10 C ATOM 691 CG TYR A 48 -7.561 6.292 3.388 1.00 25.12 C ATOM 692 CD1 TYR A 48 -8.747 7.021 3.380 1.00 70.44 C ATOM 693 CD2 TYR A 48 -6.988 5.993 4.617 1.00 41.44 C ATOM 694 CE1 TYR A 48 -9.341 7.434 4.557 1.00 41.12 C ATOM 695 CE2 TYR A 48 -7.577 6.403 5.798 1.00 21.03 C ATOM 696 CZ TYR A 48 -8.753 7.123 5.763 1.00 43.53 C ATOM 697 OH TYR A 48 -9.348 7.531 6.936 1.00 63.11 O ATOM 0 H TYR A 48 -6.195 5.601 -0.266 1.00 13.51 H new ATOM 0 HA TYR A 48 -6.828 7.851 1.321 1.00 43.25 H new ATOM 0 HB2 TYR A 48 -7.688 5.419 1.441 1.00 22.10 H new ATOM 0 HB3 TYR A 48 -6.209 5.042 2.302 1.00 22.10 H new ATOM 0 HD1 TYR A 48 -9.211 7.268 2.437 1.00 70.44 H new ATOM 0 HD2 TYR A 48 -6.067 5.431 4.650 1.00 41.44 H new ATOM 0 HE1 TYR A 48 -10.262 7.998 4.532 1.00 41.12 H new ATOM 0 HE2 TYR A 48 -7.118 6.161 6.745 1.00 21.03 H new ATOM 0 HH TYR A 48 -9.263 6.824 7.609 1.00 63.11 H new ATOM 707 N LEU A 49 -3.794 6.660 1.719 1.00 15.14 N ATOM 708 CA LEU A 49 -2.481 6.967 2.301 1.00 1.45 C ATOM 709 C LEU A 49 -2.071 8.418 2.027 1.00 63.34 C ATOM 710 O LEU A 49 -1.713 9.151 2.944 1.00 31.24 O ATOM 711 CB LEU A 49 -1.405 6.015 1.759 1.00 13.34 C ATOM 712 CG LEU A 49 0.037 6.322 2.208 1.00 55.04 C ATOM 713 CD1 LEU A 49 0.157 6.284 3.729 1.00 75.53 C ATOM 714 CD2 LEU A 49 1.024 5.352 1.562 1.00 40.34 C ATOM 0 H LEU A 49 -3.787 5.894 1.046 1.00 15.14 H new ATOM 0 HA LEU A 49 -2.567 6.830 3.379 1.00 1.45 H new ATOM 0 HB2 LEU A 49 -1.655 4.999 2.066 1.00 13.34 H new ATOM 0 HB3 LEU A 49 -1.441 6.036 0.670 1.00 13.34 H new ATOM 0 HG LEU A 49 0.284 7.331 1.877 1.00 55.04 H new ATOM 0 HD11 LEU A 49 1.185 6.504 4.019 1.00 75.53 H new ATOM 0 HD12 LEU A 49 -0.510 7.027 4.165 1.00 75.53 H new ATOM 0 HD13 LEU A 49 -0.118 5.293 4.091 1.00 75.53 H new ATOM 0 HD21 LEU A 49 2.035 5.588 1.893 1.00 40.34 H new ATOM 0 HD22 LEU A 49 0.775 4.332 1.854 1.00 40.34 H new ATOM 0 HD23 LEU A 49 0.967 5.443 0.477 1.00 40.34 H new ATOM 726 N ASN A 50 -2.140 8.832 0.764 1.00 4.20 N ATOM 727 CA ASN A 50 -1.721 10.180 0.371 1.00 63.03 C ATOM 728 C ASN A 50 -2.663 11.257 0.943 1.00 33.40 C ATOM 729 O ASN A 50 -2.287 12.424 1.062 1.00 12.05 O ATOM 730 CB ASN A 50 -1.638 10.280 -1.159 1.00 45.04 C ATOM 731 CG ASN A 50 -1.000 11.578 -1.615 1.00 71.45 C ATOM 732 OD1 ASN A 50 -1.682 12.556 -1.896 1.00 61.53 O ATOM 733 ND2 ASN A 50 0.315 11.599 -1.682 1.00 51.21 N ATOM 0 H ASN A 50 -2.481 8.256 -0.006 1.00 4.20 H new ATOM 0 HA ASN A 50 -0.731 10.363 0.790 1.00 63.03 H new ATOM 0 HB2 ASN A 50 -1.062 9.439 -1.546 1.00 45.04 H new ATOM 0 HB3 ASN A 50 -2.640 10.202 -1.581 1.00 45.04 H new ATOM 0 HD21 ASN A 50 0.797 12.449 -1.975 1.00 51.21 H new ATOM 0 HD22 ASN A 50 0.851 10.766 -1.440 1.00 51.21 H new ATOM 740 N LYS A 51 -3.888 10.861 1.298 1.00 1.25 N ATOM 741 CA LYS A 51 -4.823 11.767 1.981 1.00 1.42 C ATOM 742 C LYS A 51 -4.326 12.097 3.397 1.00 74.11 C ATOM 743 O LYS A 51 -4.496 13.216 3.887 1.00 13.24 O ATOM 744 CB LYS A 51 -6.227 11.145 2.062 1.00 0.42 C ATOM 745 CG LYS A 51 -6.838 10.801 0.706 1.00 61.32 C ATOM 746 CD LYS A 51 -8.227 10.182 0.849 1.00 73.32 C ATOM 747 CE LYS A 51 -9.247 11.182 1.381 1.00 31.15 C ATOM 748 NZ LYS A 51 -9.533 12.267 0.402 1.00 42.52 N ATOM 0 H LYS A 51 -4.257 9.926 1.126 1.00 1.25 H new ATOM 0 HA LYS A 51 -4.876 12.687 1.399 1.00 1.42 H new ATOM 0 HB2 LYS A 51 -6.176 10.239 2.666 1.00 0.42 H new ATOM 0 HB3 LYS A 51 -6.890 11.837 2.581 1.00 0.42 H new ATOM 0 HG2 LYS A 51 -6.903 11.703 0.098 1.00 61.32 H new ATOM 0 HG3 LYS A 51 -6.184 10.107 0.178 1.00 61.32 H new ATOM 0 HD2 LYS A 51 -8.558 9.807 -0.120 1.00 73.32 H new ATOM 0 HD3 LYS A 51 -8.175 9.326 1.521 1.00 73.32 H new ATOM 0 HE2 LYS A 51 -10.173 10.660 1.623 1.00 31.15 H new ATOM 0 HE3 LYS A 51 -8.876 11.619 2.308 1.00 31.15 H new ATOM 0 HZ1 LYS A 51 -10.348 12.824 0.730 1.00 42.52 H new ATOM 0 HZ2 LYS A 51 -8.702 12.886 0.317 1.00 42.52 H new ATOM 0 HZ3 LYS A 51 -9.750 11.849 -0.526 1.00 42.52 H new ATOM 762 N LEU A 52 -3.715 11.110 4.052 1.00 21.13 N ATOM 763 CA LEU A 52 -3.175 11.290 5.404 1.00 3.32 C ATOM 764 C LEU A 52 -1.718 11.784 5.369 1.00 63.31 C ATOM 765 O LEU A 52 -1.286 12.547 6.235 1.00 43.14 O ATOM 766 CB LEU A 52 -3.258 9.973 6.186 1.00 24.42 C ATOM 767 CG LEU A 52 -4.659 9.340 6.273 1.00 5.02 C ATOM 768 CD1 LEU A 52 -4.634 8.098 7.160 1.00 24.13 C ATOM 769 CD2 LEU A 52 -5.680 10.351 6.787 1.00 22.42 C ATOM 0 H LEU A 52 -3.580 10.174 3.669 1.00 21.13 H new ATOM 0 HA LEU A 52 -3.778 12.049 5.903 1.00 3.32 H new ATOM 0 HB2 LEU A 52 -2.582 9.254 5.725 1.00 24.42 H new ATOM 0 HB3 LEU A 52 -2.894 10.148 7.198 1.00 24.42 H new ATOM 0 HG LEU A 52 -4.959 9.037 5.270 1.00 5.02 H new ATOM 0 HD11 LEU A 52 -5.633 7.665 7.209 1.00 24.13 H new ATOM 0 HD12 LEU A 52 -3.942 7.367 6.743 1.00 24.13 H new ATOM 0 HD13 LEU A 52 -4.309 8.374 8.163 1.00 24.13 H new ATOM 0 HD21 LEU A 52 -6.662 9.881 6.840 1.00 22.42 H new ATOM 0 HD22 LEU A 52 -5.387 10.692 7.780 1.00 22.42 H new ATOM 0 HD23 LEU A 52 -5.722 11.203 6.109 1.00 22.42 H new ATOM 781 N GLN A 53 -0.968 11.340 4.361 1.00 62.23 N ATOM 782 CA GLN A 53 0.446 11.706 4.207 1.00 21.33 C ATOM 783 C GLN A 53 0.776 12.146 2.773 1.00 74.43 C ATOM 784 O GLN A 53 1.263 11.353 1.969 1.00 3.11 O ATOM 785 CB GLN A 53 1.354 10.528 4.601 1.00 75.11 C ATOM 786 CG GLN A 53 1.382 10.226 6.094 1.00 33.41 C ATOM 787 CD GLN A 53 2.099 11.296 6.896 1.00 11.43 C ATOM 788 OE1 GLN A 53 3.304 11.227 7.109 1.00 35.42 O ATOM 789 NE2 GLN A 53 1.367 12.289 7.350 1.00 2.51 N ATOM 0 H GLN A 53 -1.318 10.720 3.630 1.00 62.23 H new ATOM 0 HA GLN A 53 0.629 12.551 4.871 1.00 21.33 H new ATOM 0 HB2 GLN A 53 1.023 9.636 4.069 1.00 75.11 H new ATOM 0 HB3 GLN A 53 2.369 10.740 4.267 1.00 75.11 H new ATOM 0 HG2 GLN A 53 0.360 10.128 6.460 1.00 33.41 H new ATOM 0 HG3 GLN A 53 1.872 9.266 6.257 1.00 33.41 H new ATOM 0 HE21 GLN A 53 0.366 12.316 7.154 1.00 2.51 H new ATOM 0 HE22 GLN A 53 1.800 13.033 7.898 1.00 2.51 H new ATOM 798 N PRO A 54 0.502 13.417 2.422 1.00 71.02 N ATOM 799 CA PRO A 54 0.960 13.986 1.145 1.00 1.45 C ATOM 800 C PRO A 54 2.479 14.229 1.157 1.00 34.44 C ATOM 801 O PRO A 54 3.123 14.316 0.113 1.00 73.02 O ATOM 802 CB PRO A 54 0.182 15.306 1.043 1.00 65.03 C ATOM 803 CG PRO A 54 -0.125 15.680 2.456 1.00 53.32 C ATOM 804 CD PRO A 54 -0.285 14.385 3.214 1.00 33.44 C ATOM 0 HA PRO A 54 0.782 13.325 0.297 1.00 1.45 H new ATOM 0 HB2 PRO A 54 0.774 16.077 0.550 1.00 65.03 H new ATOM 0 HB3 PRO A 54 -0.730 15.183 0.459 1.00 65.03 H new ATOM 0 HG2 PRO A 54 0.678 16.282 2.881 1.00 53.32 H new ATOM 0 HG3 PRO A 54 -1.035 16.277 2.511 1.00 53.32 H new ATOM 0 HD2 PRO A 54 0.091 14.468 4.234 1.00 33.44 H new ATOM 0 HD3 PRO A 54 -1.332 14.088 3.284 1.00 33.44 H new ATOM 812 N ASP A 55 3.036 14.319 2.365 1.00 74.03 N ATOM 813 CA ASP A 55 4.476 14.485 2.570 1.00 4.33 C ATOM 814 C ASP A 55 5.239 13.177 2.264 1.00 0.14 C ATOM 815 O ASP A 55 6.450 13.186 2.025 1.00 61.24 O ATOM 816 CB ASP A 55 4.720 14.923 4.023 1.00 63.14 C ATOM 817 CG ASP A 55 6.172 15.260 4.310 1.00 44.32 C ATOM 818 OD1 ASP A 55 6.658 16.289 3.800 1.00 11.30 O ATOM 819 OD2 ASP A 55 6.831 14.503 5.055 1.00 1.44 O ATOM 0 H ASP A 55 2.500 14.279 3.232 1.00 74.03 H new ATOM 0 HA ASP A 55 4.849 15.246 1.885 1.00 4.33 H new ATOM 0 HB2 ASP A 55 4.102 15.793 4.242 1.00 63.14 H new ATOM 0 HB3 ASP A 55 4.399 14.127 4.695 1.00 63.14 H new ATOM 824 N PHE A 56 4.514 12.056 2.260 1.00 24.13 N ATOM 825 CA PHE A 56 5.110 10.734 2.031 1.00 71.15 C ATOM 826 C PHE A 56 5.242 10.439 0.527 1.00 0.10 C ATOM 827 O PHE A 56 4.249 10.201 -0.163 1.00 40.14 O ATOM 828 CB PHE A 56 4.258 9.651 2.714 1.00 63.45 C ATOM 829 CG PHE A 56 4.858 8.265 2.666 1.00 53.21 C ATOM 830 CD1 PHE A 56 5.880 7.907 3.536 1.00 3.34 C ATOM 831 CD2 PHE A 56 4.395 7.316 1.761 1.00 4.14 C ATOM 832 CE1 PHE A 56 6.426 6.638 3.504 1.00 34.01 C ATOM 833 CE2 PHE A 56 4.941 6.046 1.726 1.00 64.42 C ATOM 834 CZ PHE A 56 5.956 5.707 2.599 1.00 65.12 C ATOM 0 H PHE A 56 3.506 12.036 2.414 1.00 24.13 H new ATOM 0 HA PHE A 56 6.111 10.729 2.463 1.00 71.15 H new ATOM 0 HB2 PHE A 56 4.103 9.931 3.756 1.00 63.45 H new ATOM 0 HB3 PHE A 56 3.276 9.626 2.241 1.00 63.45 H new ATOM 0 HD1 PHE A 56 6.253 8.630 4.247 1.00 3.34 H new ATOM 0 HD2 PHE A 56 3.600 7.574 1.077 1.00 4.14 H new ATOM 0 HE1 PHE A 56 7.220 6.374 4.187 1.00 34.01 H new ATOM 0 HE2 PHE A 56 4.574 5.320 1.016 1.00 64.42 H new ATOM 0 HZ PHE A 56 6.382 4.715 2.574 1.00 65.12 H new ATOM 844 N ASP A 57 6.475 10.460 0.031 1.00 30.32 N ATOM 845 CA ASP A 57 6.752 10.227 -1.391 1.00 62.44 C ATOM 846 C ASP A 57 7.800 9.111 -1.578 1.00 41.22 C ATOM 847 O ASP A 57 8.768 9.025 -0.823 1.00 24.22 O ATOM 848 CB ASP A 57 7.235 11.524 -2.045 1.00 52.45 C ATOM 849 CG ASP A 57 7.481 11.356 -3.531 1.00 12.24 C ATOM 850 OD1 ASP A 57 6.501 11.220 -4.292 1.00 45.12 O ATOM 851 OD2 ASP A 57 8.654 11.338 -3.946 1.00 3.21 O ATOM 0 H ASP A 57 7.307 10.637 0.594 1.00 30.32 H new ATOM 0 HA ASP A 57 5.829 9.904 -1.872 1.00 62.44 H new ATOM 0 HB2 ASP A 57 6.493 12.307 -1.887 1.00 52.45 H new ATOM 0 HB3 ASP A 57 8.154 11.853 -1.561 1.00 52.45 H new ATOM 856 N SER A 58 7.606 8.271 -2.596 1.00 52.13 N ATOM 857 CA SER A 58 8.483 7.108 -2.836 1.00 54.24 C ATOM 858 C SER A 58 9.881 7.515 -3.329 1.00 11.41 C ATOM 859 O SER A 58 10.885 6.891 -2.966 1.00 52.41 O ATOM 860 CB SER A 58 7.840 6.161 -3.857 1.00 41.24 C ATOM 861 OG SER A 58 8.660 5.031 -4.101 1.00 53.45 O ATOM 0 H SER A 58 6.849 8.369 -3.273 1.00 52.13 H new ATOM 0 HA SER A 58 8.604 6.602 -1.878 1.00 54.24 H new ATOM 0 HB2 SER A 58 6.867 5.834 -3.490 1.00 41.24 H new ATOM 0 HB3 SER A 58 7.666 6.695 -4.791 1.00 41.24 H new ATOM 0 HG SER A 58 8.103 4.280 -4.394 1.00 53.45 H new ATOM 867 N ARG A 59 9.949 8.573 -4.140 1.00 3.04 N ATOM 868 CA ARG A 59 11.224 9.014 -4.730 1.00 4.02 C ATOM 869 C ARG A 59 12.237 9.410 -3.643 1.00 73.43 C ATOM 870 O ARG A 59 13.451 9.289 -3.833 1.00 34.53 O ATOM 871 CB ARG A 59 10.997 10.194 -5.684 1.00 2.12 C ATOM 872 CG ARG A 59 9.953 9.930 -6.769 1.00 52.54 C ATOM 873 CD ARG A 59 10.312 8.725 -7.634 1.00 21.12 C ATOM 874 NE ARG A 59 9.391 8.565 -8.757 1.00 60.22 N ATOM 875 CZ ARG A 59 9.733 8.084 -9.921 1.00 71.44 C ATOM 876 NH1 ARG A 59 10.949 7.706 -10.152 1.00 71.33 N ATOM 877 NH2 ARG A 59 8.855 7.990 -10.862 1.00 33.22 N ATOM 0 H ARG A 59 9.144 9.140 -4.405 1.00 3.04 H new ATOM 0 HA ARG A 59 11.634 8.174 -5.291 1.00 4.02 H new ATOM 0 HB2 ARG A 59 10.689 11.063 -5.102 1.00 2.12 H new ATOM 0 HB3 ARG A 59 11.944 10.449 -6.161 1.00 2.12 H new ATOM 0 HG2 ARG A 59 8.982 9.764 -6.303 1.00 52.54 H new ATOM 0 HG3 ARG A 59 9.857 10.813 -7.401 1.00 52.54 H new ATOM 0 HD2 ARG A 59 11.328 8.839 -8.012 1.00 21.12 H new ATOM 0 HD3 ARG A 59 10.299 7.823 -7.023 1.00 21.12 H new ATOM 0 HE ARG A 59 8.420 8.847 -8.623 1.00 60.22 H new ATOM 0 HH11 ARG A 59 11.655 7.782 -9.419 1.00 71.33 H new ATOM 0 HH12 ARG A 59 11.202 7.332 -11.067 1.00 71.33 H new ATOM 0 HH21 ARG A 59 7.895 8.291 -10.696 1.00 33.22 H new ATOM 0 HH22 ARG A 59 9.121 7.614 -11.772 1.00 33.22 H new ATOM 891 N LEU A 60 11.725 9.873 -2.501 1.00 0.03 N ATOM 892 CA LEU A 60 12.569 10.236 -1.352 1.00 23.40 C ATOM 893 C LEU A 60 13.398 9.036 -0.854 1.00 71.13 C ATOM 894 O LEU A 60 14.485 9.201 -0.293 1.00 4.12 O ATOM 895 CB LEU A 60 11.694 10.769 -0.205 1.00 40.33 C ATOM 896 CG LEU A 60 10.787 11.960 -0.560 1.00 64.32 C ATOM 897 CD1 LEU A 60 9.926 12.356 0.634 1.00 55.43 C ATOM 898 CD2 LEU A 60 11.615 13.147 -1.047 1.00 25.12 C ATOM 0 H LEU A 60 10.726 10.007 -2.343 1.00 0.03 H new ATOM 0 HA LEU A 60 13.260 11.012 -1.681 1.00 23.40 H new ATOM 0 HB2 LEU A 60 11.068 9.954 0.159 1.00 40.33 H new ATOM 0 HB3 LEU A 60 12.345 11.064 0.618 1.00 40.33 H new ATOM 0 HG LEU A 60 10.126 11.653 -1.371 1.00 64.32 H new ATOM 0 HD11 LEU A 60 9.292 13.200 0.362 1.00 55.43 H new ATOM 0 HD12 LEU A 60 9.301 11.513 0.927 1.00 55.43 H new ATOM 0 HD13 LEU A 60 10.568 12.639 1.468 1.00 55.43 H new ATOM 0 HD21 LEU A 60 10.952 13.977 -1.292 1.00 25.12 H new ATOM 0 HD22 LEU A 60 12.307 13.454 -0.263 1.00 25.12 H new ATOM 0 HD23 LEU A 60 12.178 12.858 -1.934 1.00 25.12 H new ATOM 910 N TYR A 61 12.876 7.831 -1.066 1.00 11.01 N ATOM 911 CA TYR A 61 13.546 6.597 -0.636 1.00 0.12 C ATOM 912 C TYR A 61 14.309 5.932 -1.796 1.00 4.32 C ATOM 913 O TYR A 61 14.931 4.884 -1.626 1.00 24.21 O ATOM 914 CB TYR A 61 12.512 5.627 -0.048 1.00 62.33 C ATOM 915 CG TYR A 61 11.690 6.238 1.075 1.00 32.20 C ATOM 916 CD1 TYR A 61 12.117 6.171 2.398 1.00 15.23 C ATOM 917 CD2 TYR A 61 10.495 6.896 0.808 1.00 3.41 C ATOM 918 CE1 TYR A 61 11.375 6.738 3.417 1.00 23.33 C ATOM 919 CE2 TYR A 61 9.752 7.468 1.823 1.00 74.13 C ATOM 920 CZ TYR A 61 10.196 7.385 3.123 1.00 22.22 C ATOM 921 OH TYR A 61 9.458 7.955 4.135 1.00 31.43 O ATOM 0 H TYR A 61 11.984 7.678 -1.536 1.00 11.01 H new ATOM 0 HA TYR A 61 14.278 6.855 0.129 1.00 0.12 H new ATOM 0 HB2 TYR A 61 11.842 5.295 -0.841 1.00 62.33 H new ATOM 0 HB3 TYR A 61 13.026 4.741 0.326 1.00 62.33 H new ATOM 0 HD1 TYR A 61 13.043 5.668 2.632 1.00 15.23 H new ATOM 0 HD2 TYR A 61 10.141 6.961 -0.210 1.00 3.41 H new ATOM 0 HE1 TYR A 61 11.719 6.674 4.439 1.00 23.33 H new ATOM 0 HE2 TYR A 61 8.827 7.978 1.597 1.00 74.13 H new ATOM 0 HH TYR A 61 8.514 7.716 4.026 1.00 31.43 H new ATOM 931 N GLY A 62 14.253 6.550 -2.978 1.00 51.12 N ATOM 932 CA GLY A 62 14.995 6.047 -4.132 1.00 3.22 C ATOM 933 C GLY A 62 14.193 5.108 -5.034 1.00 11.20 C ATOM 934 O GLY A 62 14.717 4.614 -6.035 1.00 61.44 O ATOM 0 H GLY A 62 13.706 7.392 -3.159 1.00 51.12 H new ATOM 0 HA2 GLY A 62 15.341 6.894 -4.725 1.00 3.22 H new ATOM 0 HA3 GLY A 62 15.882 5.522 -3.778 1.00 3.22 H new ATOM 938 N TYR A 63 12.925 4.867 -4.701 1.00 24.41 N ATOM 939 CA TYR A 63 12.077 3.950 -5.478 1.00 72.35 C ATOM 940 C TYR A 63 11.336 4.657 -6.624 1.00 44.44 C ATOM 941 O TYR A 63 11.276 5.884 -6.681 1.00 53.55 O ATOM 942 CB TYR A 63 11.073 3.249 -4.558 1.00 1.32 C ATOM 943 CG TYR A 63 11.706 2.229 -3.637 1.00 74.45 C ATOM 944 CD1 TYR A 63 12.382 2.613 -2.484 1.00 51.02 C ATOM 945 CD2 TYR A 63 11.628 0.873 -3.930 1.00 41.32 C ATOM 946 CE1 TYR A 63 12.962 1.674 -1.652 1.00 12.22 C ATOM 947 CE2 TYR A 63 12.201 -0.068 -3.107 1.00 61.01 C ATOM 948 CZ TYR A 63 12.867 0.334 -1.967 1.00 54.54 C ATOM 949 OH TYR A 63 13.442 -0.606 -1.143 1.00 41.41 O ATOM 0 H TYR A 63 12.458 5.292 -3.900 1.00 24.41 H new ATOM 0 HA TYR A 63 12.739 3.212 -5.930 1.00 72.35 H new ATOM 0 HB2 TYR A 63 10.558 3.999 -3.957 1.00 1.32 H new ATOM 0 HB3 TYR A 63 10.317 2.755 -5.168 1.00 1.32 H new ATOM 0 HD1 TYR A 63 12.455 3.661 -2.235 1.00 51.02 H new ATOM 0 HD2 TYR A 63 11.108 0.552 -4.820 1.00 41.32 H new ATOM 0 HE1 TYR A 63 13.486 1.987 -0.761 1.00 12.22 H new ATOM 0 HE2 TYR A 63 12.130 -1.118 -3.352 1.00 61.01 H new ATOM 0 HH TYR A 63 13.442 -0.276 -0.220 1.00 41.41 H new ATOM 959 N LYS A 64 10.771 3.861 -7.539 1.00 50.10 N ATOM 960 CA LYS A 64 10.076 4.397 -8.718 1.00 54.22 C ATOM 961 C LYS A 64 8.588 4.671 -8.440 1.00 22.30 C ATOM 962 O LYS A 64 7.989 5.570 -9.034 1.00 22.11 O ATOM 963 CB LYS A 64 10.192 3.422 -9.901 1.00 11.02 C ATOM 964 CG LYS A 64 11.623 2.994 -10.218 1.00 10.12 C ATOM 965 CD LYS A 64 11.739 2.367 -11.607 1.00 61.25 C ATOM 966 CE LYS A 64 11.429 3.377 -12.710 1.00 40.44 C ATOM 967 NZ LYS A 64 12.340 4.551 -12.664 1.00 0.45 N ATOM 0 H LYS A 64 10.781 2.842 -7.487 1.00 50.10 H new ATOM 0 HA LYS A 64 10.559 5.343 -8.964 1.00 54.22 H new ATOM 0 HB2 LYS A 64 9.598 2.534 -9.686 1.00 11.02 H new ATOM 0 HB3 LYS A 64 9.759 3.888 -10.786 1.00 11.02 H new ATOM 0 HG2 LYS A 64 12.283 3.859 -10.155 1.00 10.12 H new ATOM 0 HG3 LYS A 64 11.962 2.279 -9.468 1.00 10.12 H new ATOM 0 HD2 LYS A 64 12.746 1.974 -11.746 1.00 61.25 H new ATOM 0 HD3 LYS A 64 11.054 1.523 -11.684 1.00 61.25 H new ATOM 0 HE2 LYS A 64 11.514 2.890 -13.681 1.00 40.44 H new ATOM 0 HE3 LYS A 64 10.397 3.715 -12.612 1.00 40.44 H new ATOM 0 HZ1 LYS A 64 12.259 5.088 -13.551 1.00 0.45 H new ATOM 0 HZ2 LYS A 64 12.078 5.162 -11.864 1.00 0.45 H new ATOM 0 HZ3 LYS A 64 13.320 4.225 -12.544 1.00 0.45 H new ATOM 981 N LYS A 65 7.994 3.880 -7.552 1.00 22.31 N ATOM 982 CA LYS A 65 6.565 4.007 -7.235 1.00 31.12 C ATOM 983 C LYS A 65 6.261 3.453 -5.832 1.00 53.35 C ATOM 984 O LYS A 65 7.137 2.881 -5.179 1.00 33.31 O ATOM 985 CB LYS A 65 5.718 3.279 -8.297 1.00 64.11 C ATOM 986 CG LYS A 65 5.987 1.775 -8.376 1.00 43.01 C ATOM 987 CD LYS A 65 5.198 1.094 -9.500 1.00 42.22 C ATOM 988 CE LYS A 65 5.665 1.535 -10.883 1.00 75.51 C ATOM 989 NZ LYS A 65 4.959 0.801 -11.967 1.00 23.51 N ATOM 0 H LYS A 65 8.475 3.143 -7.036 1.00 22.31 H new ATOM 0 HA LYS A 65 6.305 5.066 -7.243 1.00 31.12 H new ATOM 0 HB2 LYS A 65 4.662 3.439 -8.078 1.00 64.11 H new ATOM 0 HB3 LYS A 65 5.913 3.725 -9.272 1.00 64.11 H new ATOM 0 HG2 LYS A 65 7.053 1.608 -8.532 1.00 43.01 H new ATOM 0 HG3 LYS A 65 5.728 1.313 -7.423 1.00 43.01 H new ATOM 0 HD2 LYS A 65 5.303 0.013 -9.411 1.00 42.22 H new ATOM 0 HD3 LYS A 65 4.138 1.322 -9.387 1.00 42.22 H new ATOM 0 HE2 LYS A 65 5.495 2.605 -10.999 1.00 75.51 H new ATOM 0 HE3 LYS A 65 6.739 1.371 -10.973 1.00 75.51 H new ATOM 0 HZ1 LYS A 65 5.305 1.130 -12.891 1.00 23.51 H new ATOM 0 HZ2 LYS A 65 5.141 -0.218 -11.872 1.00 23.51 H new ATOM 0 HZ3 LYS A 65 3.937 0.978 -11.897 1.00 23.51 H new ATOM 1003 N LEU A 66 5.020 3.613 -5.371 1.00 73.55 N ATOM 1004 CA LEU A 66 4.643 3.185 -4.015 1.00 24.03 C ATOM 1005 C LEU A 66 4.683 1.653 -3.867 1.00 61.22 C ATOM 1006 O LEU A 66 5.289 1.132 -2.933 1.00 52.11 O ATOM 1007 CB LEU A 66 3.248 3.713 -3.654 1.00 62.04 C ATOM 1008 CG LEU A 66 2.754 3.347 -2.242 1.00 2.42 C ATOM 1009 CD1 LEU A 66 3.708 3.878 -1.172 1.00 32.44 C ATOM 1010 CD2 LEU A 66 1.339 3.875 -2.013 1.00 51.24 C ATOM 0 H LEU A 66 4.261 4.032 -5.908 1.00 73.55 H new ATOM 0 HA LEU A 66 5.375 3.605 -3.325 1.00 24.03 H new ATOM 0 HB2 LEU A 66 3.252 4.799 -3.750 1.00 62.04 H new ATOM 0 HB3 LEU A 66 2.533 3.331 -4.382 1.00 62.04 H new ATOM 0 HG LEU A 66 2.732 2.260 -2.164 1.00 2.42 H new ATOM 0 HD11 LEU A 66 3.335 3.605 -0.185 1.00 32.44 H new ATOM 0 HD12 LEU A 66 4.697 3.444 -1.319 1.00 32.44 H new ATOM 0 HD13 LEU A 66 3.773 4.963 -1.249 1.00 32.44 H new ATOM 0 HD21 LEU A 66 1.008 3.606 -1.010 1.00 51.24 H new ATOM 0 HD22 LEU A 66 1.334 4.960 -2.118 1.00 51.24 H new ATOM 0 HD23 LEU A 66 0.664 3.436 -2.748 1.00 51.24 H new ATOM 1022 N SER A 67 4.041 0.941 -4.792 1.00 62.30 N ATOM 1023 CA SER A 67 4.025 -0.536 -4.770 1.00 10.23 C ATOM 1024 C SER A 67 5.449 -1.108 -4.698 1.00 1.04 C ATOM 1025 O SER A 67 5.718 -2.048 -3.947 1.00 50.40 O ATOM 1026 CB SER A 67 3.325 -1.080 -6.019 1.00 74.31 C ATOM 1027 OG SER A 67 4.005 -0.680 -7.200 1.00 53.54 O ATOM 0 H SER A 67 3.524 1.354 -5.568 1.00 62.30 H new ATOM 0 HA SER A 67 3.478 -0.846 -3.879 1.00 10.23 H new ATOM 0 HB2 SER A 67 3.282 -2.168 -5.971 1.00 74.31 H new ATOM 0 HB3 SER A 67 2.296 -0.721 -6.049 1.00 74.31 H new ATOM 0 HG SER A 67 3.540 -1.041 -7.983 1.00 53.54 H new ATOM 1033 N ASP A 68 6.349 -0.526 -5.489 1.00 25.21 N ATOM 1034 CA ASP A 68 7.768 -0.910 -5.499 1.00 11.21 C ATOM 1035 C ASP A 68 8.361 -0.840 -4.077 1.00 51.34 C ATOM 1036 O ASP A 68 9.037 -1.768 -3.620 1.00 12.33 O ATOM 1037 CB ASP A 68 8.528 0.027 -6.455 1.00 24.20 C ATOM 1038 CG ASP A 68 9.954 -0.407 -6.753 1.00 42.43 C ATOM 1039 OD1 ASP A 68 10.284 -1.594 -6.554 1.00 34.24 O ATOM 1040 OD2 ASP A 68 10.744 0.441 -7.223 1.00 15.44 O ATOM 0 H ASP A 68 6.120 0.224 -6.141 1.00 25.21 H new ATOM 0 HA ASP A 68 7.866 -1.939 -5.845 1.00 11.21 H new ATOM 0 HB2 ASP A 68 7.977 0.094 -7.393 1.00 24.20 H new ATOM 0 HB3 ASP A 68 8.548 1.028 -6.025 1.00 24.20 H new ATOM 1045 N LEU A 69 8.082 0.263 -3.383 1.00 51.12 N ATOM 1046 CA LEU A 69 8.506 0.448 -1.991 1.00 21.00 C ATOM 1047 C LEU A 69 7.875 -0.608 -1.066 1.00 33.42 C ATOM 1048 O LEU A 69 8.568 -1.270 -0.292 1.00 24.52 O ATOM 1049 CB LEU A 69 8.112 1.857 -1.519 1.00 2.12 C ATOM 1050 CG LEU A 69 8.438 2.181 -0.050 1.00 24.33 C ATOM 1051 CD1 LEU A 69 9.946 2.199 0.180 1.00 44.31 C ATOM 1052 CD2 LEU A 69 7.808 3.510 0.363 1.00 20.25 C ATOM 0 H LEU A 69 7.559 1.051 -3.765 1.00 51.12 H new ATOM 0 HA LEU A 69 9.589 0.330 -1.945 1.00 21.00 H new ATOM 0 HB2 LEU A 69 8.614 2.587 -2.154 1.00 2.12 H new ATOM 0 HB3 LEU A 69 7.040 1.986 -1.672 1.00 2.12 H new ATOM 0 HG LEU A 69 8.012 1.396 0.574 1.00 24.33 H new ATOM 0 HD11 LEU A 69 10.152 2.430 1.225 1.00 44.31 H new ATOM 0 HD12 LEU A 69 10.363 1.222 -0.065 1.00 44.31 H new ATOM 0 HD13 LEU A 69 10.402 2.958 -0.456 1.00 44.31 H new ATOM 0 HD21 LEU A 69 8.051 3.720 1.405 1.00 20.25 H new ATOM 0 HD22 LEU A 69 8.197 4.309 -0.268 1.00 20.25 H new ATOM 0 HD23 LEU A 69 6.726 3.451 0.248 1.00 20.25 H new ATOM 1064 N VAL A 70 6.556 -0.762 -1.168 1.00 53.44 N ATOM 1065 CA VAL A 70 5.800 -1.680 -0.308 1.00 1.34 C ATOM 1066 C VAL A 70 6.321 -3.126 -0.392 1.00 42.51 C ATOM 1067 O VAL A 70 6.605 -3.752 0.631 1.00 4.12 O ATOM 1068 CB VAL A 70 4.290 -1.656 -0.661 1.00 74.31 C ATOM 1069 CG1 VAL A 70 3.505 -2.631 0.216 1.00 62.41 C ATOM 1070 CG2 VAL A 70 3.730 -0.240 -0.528 1.00 52.32 C ATOM 0 H VAL A 70 5.981 -0.259 -1.844 1.00 53.44 H new ATOM 0 HA VAL A 70 5.941 -1.329 0.714 1.00 1.34 H new ATOM 0 HB VAL A 70 4.181 -1.975 -1.698 1.00 74.31 H new ATOM 0 HG11 VAL A 70 2.449 -2.593 -0.053 1.00 62.41 H new ATOM 0 HG12 VAL A 70 3.883 -3.642 0.064 1.00 62.41 H new ATOM 0 HG13 VAL A 70 3.622 -2.354 1.264 1.00 62.41 H new ATOM 0 HG21 VAL A 70 2.669 -0.243 -0.780 1.00 52.32 H new ATOM 0 HG22 VAL A 70 3.859 0.107 0.497 1.00 52.32 H new ATOM 0 HG23 VAL A 70 4.262 0.427 -1.207 1.00 52.32 H new ATOM 1080 N LYS A 71 6.462 -3.654 -1.608 1.00 72.24 N ATOM 1081 CA LYS A 71 6.906 -5.042 -1.789 1.00 10.34 C ATOM 1082 C LYS A 71 8.390 -5.224 -1.423 1.00 13.14 C ATOM 1083 O LYS A 71 8.838 -6.338 -1.144 1.00 33.33 O ATOM 1084 CB LYS A 71 6.640 -5.526 -3.222 1.00 4.04 C ATOM 1085 CG LYS A 71 7.384 -4.749 -4.308 1.00 5.45 C ATOM 1086 CD LYS A 71 7.037 -5.263 -5.705 1.00 12.05 C ATOM 1087 CE LYS A 71 7.421 -6.731 -5.883 1.00 51.42 C ATOM 1088 NZ LYS A 71 7.051 -7.250 -7.226 1.00 4.23 N ATOM 0 H LYS A 71 6.278 -3.150 -2.476 1.00 72.24 H new ATOM 0 HA LYS A 71 6.321 -5.655 -1.104 1.00 10.34 H new ATOM 0 HB2 LYS A 71 6.917 -6.578 -3.293 1.00 4.04 H new ATOM 0 HB3 LYS A 71 5.570 -5.464 -3.419 1.00 4.04 H new ATOM 0 HG2 LYS A 71 7.133 -3.691 -4.236 1.00 5.45 H new ATOM 0 HG3 LYS A 71 8.458 -4.833 -4.145 1.00 5.45 H new ATOM 0 HD2 LYS A 71 5.968 -5.143 -5.881 1.00 12.05 H new ATOM 0 HD3 LYS A 71 7.552 -4.660 -6.452 1.00 12.05 H new ATOM 0 HE2 LYS A 71 8.495 -6.844 -5.735 1.00 51.42 H new ATOM 0 HE3 LYS A 71 6.929 -7.329 -5.116 1.00 51.42 H new ATOM 0 HZ1 LYS A 71 7.330 -8.249 -7.301 1.00 4.23 H new ATOM 0 HZ2 LYS A 71 6.023 -7.167 -7.359 1.00 4.23 H new ATOM 0 HZ3 LYS A 71 7.541 -6.698 -7.959 1.00 4.23 H new ATOM 1102 N ALA A 72 9.151 -4.131 -1.434 1.00 22.31 N ATOM 1103 CA ALA A 72 10.551 -4.158 -0.993 1.00 74.23 C ATOM 1104 C ALA A 72 10.660 -3.978 0.530 1.00 74.33 C ATOM 1105 O ALA A 72 11.673 -4.324 1.143 1.00 73.32 O ATOM 1106 CB ALA A 72 11.354 -3.082 -1.713 1.00 33.41 C ATOM 0 H ALA A 72 8.825 -3.215 -1.743 1.00 22.31 H new ATOM 0 HA ALA A 72 10.964 -5.135 -1.245 1.00 74.23 H new ATOM 0 HB1 ALA A 72 12.390 -3.114 -1.376 1.00 33.41 H new ATOM 0 HB2 ALA A 72 11.317 -3.258 -2.788 1.00 33.41 H new ATOM 0 HB3 ALA A 72 10.931 -2.102 -1.491 1.00 33.41 H new ATOM 1112 N ARG A 73 9.607 -3.430 1.135 1.00 72.54 N ATOM 1113 CA ARG A 73 9.555 -3.218 2.585 1.00 43.32 C ATOM 1114 C ARG A 73 8.530 -4.149 3.250 1.00 1.21 C ATOM 1115 O ARG A 73 7.757 -3.726 4.115 1.00 44.10 O ATOM 1116 CB ARG A 73 9.220 -1.748 2.895 1.00 4.11 C ATOM 1117 CG ARG A 73 10.271 -0.755 2.404 1.00 35.22 C ATOM 1118 CD ARG A 73 11.656 -1.062 2.971 1.00 40.22 C ATOM 1119 NE ARG A 73 11.674 -1.076 4.433 1.00 1.32 N ATOM 1120 CZ ARG A 73 12.622 -1.626 5.152 1.00 14.22 C ATOM 1121 NH1 ARG A 73 13.625 -2.223 4.589 1.00 0.31 N ATOM 1122 NH2 ARG A 73 12.560 -1.585 6.441 1.00 22.14 N ATOM 0 H ARG A 73 8.770 -3.122 0.640 1.00 72.54 H new ATOM 0 HA ARG A 73 10.537 -3.454 2.995 1.00 43.32 H new ATOM 0 HB2 ARG A 73 8.261 -1.501 2.440 1.00 4.11 H new ATOM 0 HB3 ARG A 73 9.101 -1.632 3.972 1.00 4.11 H new ATOM 0 HG2 ARG A 73 10.312 -0.779 1.315 1.00 35.22 H new ATOM 0 HG3 ARG A 73 9.978 0.255 2.690 1.00 35.22 H new ATOM 0 HD2 ARG A 73 11.991 -2.030 2.598 1.00 40.22 H new ATOM 0 HD3 ARG A 73 12.366 -0.318 2.610 1.00 40.22 H new ATOM 0 HE ARG A 73 10.900 -0.629 4.925 1.00 1.32 H new ATOM 0 HH11 ARG A 73 13.685 -2.270 3.572 1.00 0.31 H new ATOM 0 HH12 ARG A 73 14.354 -2.646 5.163 1.00 0.31 H new ATOM 0 HH21 ARG A 73 11.774 -1.125 6.899 1.00 22.14 H new ATOM 0 HH22 ARG A 73 13.297 -2.013 7.001 1.00 22.14 H new ATOM 1136 N THR A 74 8.545 -5.429 2.867 1.00 2.45 N ATOM 1137 CA THR A 74 7.666 -6.437 3.490 1.00 1.53 C ATOM 1138 C THR A 74 7.966 -6.597 4.988 1.00 22.30 C ATOM 1139 O THR A 74 7.231 -7.260 5.719 1.00 20.13 O ATOM 1140 CB THR A 74 7.773 -7.818 2.795 1.00 43.33 C ATOM 1141 OG1 THR A 74 9.147 -8.232 2.721 1.00 54.11 O ATOM 1142 CG2 THR A 74 7.176 -7.773 1.389 1.00 45.54 C ATOM 0 H THR A 74 9.151 -5.796 2.133 1.00 2.45 H new ATOM 0 HA THR A 74 6.648 -6.068 3.366 1.00 1.53 H new ATOM 0 HB THR A 74 7.209 -8.537 3.389 1.00 43.33 H new ATOM 0 HG1 THR A 74 9.202 -9.106 2.282 1.00 54.11 H new ATOM 0 HG21 THR A 74 7.264 -8.755 0.925 1.00 45.54 H new ATOM 0 HG22 THR A 74 6.124 -7.493 1.449 1.00 45.54 H new ATOM 0 HG23 THR A 74 7.713 -7.038 0.789 1.00 45.54 H new ATOM 1150 N ASP A 75 9.062 -5.989 5.430 1.00 5.33 N ATOM 1151 CA ASP A 75 9.387 -5.868 6.852 1.00 72.44 C ATOM 1152 C ASP A 75 8.235 -5.197 7.635 1.00 74.52 C ATOM 1153 O ASP A 75 8.029 -5.467 8.822 1.00 34.14 O ATOM 1154 CB ASP A 75 10.673 -5.048 6.982 1.00 10.34 C ATOM 1155 CG ASP A 75 11.098 -4.827 8.419 1.00 13.24 C ATOM 1156 OD1 ASP A 75 11.526 -5.796 9.076 1.00 13.01 O ATOM 1157 OD2 ASP A 75 11.025 -3.674 8.895 1.00 52.24 O ATOM 0 H ASP A 75 9.754 -5.564 4.812 1.00 5.33 H new ATOM 0 HA ASP A 75 9.529 -6.861 7.278 1.00 72.44 H new ATOM 0 HB2 ASP A 75 11.475 -5.556 6.447 1.00 10.34 H new ATOM 0 HB3 ASP A 75 10.530 -4.081 6.500 1.00 10.34 H new ATOM 1162 N LEU A 76 7.493 -4.324 6.950 1.00 34.32 N ATOM 1163 CA LEU A 76 6.350 -3.617 7.545 1.00 41.31 C ATOM 1164 C LEU A 76 5.014 -4.061 6.919 1.00 34.13 C ATOM 1165 O LEU A 76 3.974 -4.056 7.583 1.00 60.21 O ATOM 1166 CB LEU A 76 6.516 -2.101 7.353 1.00 62.41 C ATOM 1167 CG LEU A 76 7.715 -1.462 8.074 1.00 35.24 C ATOM 1168 CD1 LEU A 76 7.889 -0.006 7.643 1.00 74.44 C ATOM 1169 CD2 LEU A 76 7.540 -1.558 9.590 1.00 1.30 C ATOM 0 H LEU A 76 7.664 -4.086 5.973 1.00 34.32 H new ATOM 0 HA LEU A 76 6.329 -3.863 8.607 1.00 41.31 H new ATOM 0 HB2 LEU A 76 6.607 -1.897 6.286 1.00 62.41 H new ATOM 0 HB3 LEU A 76 5.606 -1.609 7.695 1.00 62.41 H new ATOM 0 HG LEU A 76 8.616 -2.010 7.796 1.00 35.24 H new ATOM 0 HD11 LEU A 76 8.742 0.428 8.164 1.00 74.44 H new ATOM 0 HD12 LEU A 76 8.060 0.037 6.567 1.00 74.44 H new ATOM 0 HD13 LEU A 76 6.989 0.557 7.890 1.00 74.44 H new ATOM 0 HD21 LEU A 76 8.397 -1.101 10.085 1.00 1.30 H new ATOM 0 HD22 LEU A 76 6.630 -1.036 9.885 1.00 1.30 H new ATOM 0 HD23 LEU A 76 7.468 -2.606 9.882 1.00 1.30 H new ATOM 1181 N PHE A 77 5.046 -4.443 5.641 1.00 12.31 N ATOM 1182 CA PHE A 77 3.815 -4.737 4.887 1.00 3.13 C ATOM 1183 C PHE A 77 3.783 -6.188 4.369 1.00 34.13 C ATOM 1184 O PHE A 77 4.812 -6.848 4.266 1.00 34.10 O ATOM 1185 CB PHE A 77 3.688 -3.763 3.701 1.00 15.02 C ATOM 1186 CG PHE A 77 3.879 -2.313 4.081 1.00 5.42 C ATOM 1187 CD1 PHE A 77 3.108 -1.736 5.079 1.00 24.23 C ATOM 1188 CD2 PHE A 77 4.838 -1.530 3.446 1.00 24.21 C ATOM 1189 CE1 PHE A 77 3.292 -0.415 5.437 1.00 15.01 C ATOM 1190 CE2 PHE A 77 5.021 -0.207 3.802 1.00 24.44 C ATOM 1191 CZ PHE A 77 4.249 0.348 4.799 1.00 1.53 C ATOM 0 H PHE A 77 5.905 -4.557 5.103 1.00 12.31 H new ATOM 0 HA PHE A 77 2.974 -4.611 5.569 1.00 3.13 H new ATOM 0 HB2 PHE A 77 4.424 -4.030 2.943 1.00 15.02 H new ATOM 0 HB3 PHE A 77 2.704 -3.884 3.247 1.00 15.02 H new ATOM 0 HD1 PHE A 77 2.356 -2.326 5.581 1.00 24.23 H new ATOM 0 HD2 PHE A 77 5.447 -1.961 2.665 1.00 24.21 H new ATOM 0 HE1 PHE A 77 2.686 0.022 6.217 1.00 15.01 H new ATOM 0 HE2 PHE A 77 5.768 0.390 3.300 1.00 24.44 H new ATOM 0 HZ PHE A 77 4.393 1.380 5.081 1.00 1.53 H new ATOM 1201 N VAL A 78 2.586 -6.674 4.052 1.00 62.14 N ATOM 1202 CA VAL A 78 2.410 -7.992 3.427 1.00 62.52 C ATOM 1203 C VAL A 78 1.793 -7.824 2.030 1.00 13.44 C ATOM 1204 O VAL A 78 0.721 -7.233 1.885 1.00 5.31 O ATOM 1205 CB VAL A 78 1.505 -8.916 4.284 1.00 42.21 C ATOM 1206 CG1 VAL A 78 1.338 -10.288 3.629 1.00 15.34 C ATOM 1207 CG2 VAL A 78 2.058 -9.052 5.703 1.00 10.14 C ATOM 0 H VAL A 78 1.713 -6.173 4.218 1.00 62.14 H new ATOM 0 HA VAL A 78 3.392 -8.458 3.349 1.00 62.52 H new ATOM 0 HB VAL A 78 0.519 -8.455 4.346 1.00 42.21 H new ATOM 0 HG11 VAL A 78 0.699 -10.913 4.252 1.00 15.34 H new ATOM 0 HG12 VAL A 78 0.882 -10.169 2.646 1.00 15.34 H new ATOM 0 HG13 VAL A 78 2.314 -10.761 3.521 1.00 15.34 H new ATOM 0 HG21 VAL A 78 1.408 -9.704 6.286 1.00 10.14 H new ATOM 0 HG22 VAL A 78 3.060 -9.480 5.664 1.00 10.14 H new ATOM 0 HG23 VAL A 78 2.101 -8.069 6.172 1.00 10.14 H new ATOM 1217 N THR A 79 2.470 -8.344 1.007 1.00 0.43 N ATOM 1218 CA THR A 79 2.074 -8.103 -0.388 1.00 51.05 C ATOM 1219 C THR A 79 1.659 -9.384 -1.125 1.00 71.14 C ATOM 1220 O THR A 79 2.374 -10.388 -1.100 1.00 63.23 O ATOM 1221 CB THR A 79 3.234 -7.455 -1.180 1.00 71.12 C ATOM 1222 OG1 THR A 79 4.345 -8.362 -1.260 1.00 62.44 O ATOM 1223 CG2 THR A 79 3.690 -6.154 -0.530 1.00 40.25 C ATOM 0 H THR A 79 3.295 -8.935 1.113 1.00 0.43 H new ATOM 0 HA THR A 79 1.213 -7.437 -0.338 1.00 51.05 H new ATOM 0 HB THR A 79 2.868 -7.232 -2.182 1.00 71.12 H new ATOM 0 HG1 THR A 79 4.030 -9.279 -1.117 1.00 62.44 H new ATOM 0 HG21 THR A 79 4.506 -5.724 -1.111 1.00 40.25 H new ATOM 0 HG22 THR A 79 2.857 -5.452 -0.499 1.00 40.25 H new ATOM 0 HG23 THR A 79 4.033 -6.355 0.485 1.00 40.25 H new ATOM 1231 N GLU A 80 0.501 -9.337 -1.789 1.00 31.12 N ATOM 1232 CA GLU A 80 0.059 -10.422 -2.680 1.00 2.34 C ATOM 1233 C GLU A 80 -0.754 -9.873 -3.867 1.00 23.42 C ATOM 1234 O GLU A 80 -1.703 -9.113 -3.684 1.00 64.01 O ATOM 1235 CB GLU A 80 -0.786 -11.469 -1.928 1.00 74.01 C ATOM 1236 CG GLU A 80 0.003 -12.332 -0.943 1.00 21.03 C ATOM 1237 CD GLU A 80 -0.804 -13.508 -0.415 1.00 52.20 C ATOM 1238 OE1 GLU A 80 -1.257 -14.331 -1.241 1.00 64.30 O ATOM 1239 OE2 GLU A 80 -0.968 -13.630 0.820 1.00 40.45 O ATOM 0 H GLU A 80 -0.153 -8.556 -1.728 1.00 31.12 H new ATOM 0 HA GLU A 80 0.962 -10.904 -3.055 1.00 2.34 H new ATOM 0 HB2 GLU A 80 -1.580 -10.955 -1.386 1.00 74.01 H new ATOM 0 HB3 GLU A 80 -1.268 -12.120 -2.657 1.00 74.01 H new ATOM 0 HG2 GLU A 80 0.903 -12.705 -1.433 1.00 21.03 H new ATOM 0 HG3 GLU A 80 0.328 -11.715 -0.106 1.00 21.03 H new ATOM 1246 N GLU A 81 -0.385 -10.274 -5.082 1.00 42.21 N ATOM 1247 CA GLU A 81 -1.130 -9.883 -6.284 1.00 14.12 C ATOM 1248 C GLU A 81 -2.263 -10.881 -6.555 1.00 41.13 C ATOM 1249 O GLU A 81 -2.018 -12.047 -6.870 1.00 3.44 O ATOM 1250 CB GLU A 81 -0.183 -9.799 -7.490 1.00 2.55 C ATOM 1251 CG GLU A 81 0.854 -8.686 -7.372 1.00 34.21 C ATOM 1252 CD GLU A 81 1.876 -8.700 -8.497 1.00 22.45 C ATOM 1253 OE1 GLU A 81 1.477 -8.566 -9.672 1.00 33.23 O ATOM 1254 OE2 GLU A 81 3.081 -8.856 -8.213 1.00 24.45 O ATOM 0 H GLU A 81 0.424 -10.869 -5.263 1.00 42.21 H new ATOM 0 HA GLU A 81 -1.570 -8.899 -6.121 1.00 14.12 H new ATOM 0 HB2 GLU A 81 0.331 -10.753 -7.606 1.00 2.55 H new ATOM 0 HB3 GLU A 81 -0.771 -9.642 -8.394 1.00 2.55 H new ATOM 0 HG2 GLU A 81 0.344 -7.722 -7.364 1.00 34.21 H new ATOM 0 HG3 GLU A 81 1.372 -8.780 -6.418 1.00 34.21 H new ATOM 1261 N ARG A 82 -3.500 -10.418 -6.422 1.00 4.24 N ATOM 1262 CA ARG A 82 -4.676 -11.290 -6.502 1.00 10.31 C ATOM 1263 C ARG A 82 -5.559 -10.897 -7.698 1.00 54.14 C ATOM 1264 O ARG A 82 -5.749 -9.710 -7.971 1.00 1.22 O ATOM 1265 CB ARG A 82 -5.479 -11.161 -5.199 1.00 51.23 C ATOM 1266 CG ARG A 82 -4.623 -11.266 -3.932 1.00 71.43 C ATOM 1267 CD ARG A 82 -4.050 -12.665 -3.716 1.00 64.33 C ATOM 1268 NE ARG A 82 -5.082 -13.609 -3.301 1.00 4.44 N ATOM 1269 CZ ARG A 82 -5.009 -14.357 -2.232 1.00 72.51 C ATOM 1270 NH1 ARG A 82 -3.955 -14.346 -1.482 1.00 23.51 N ATOM 1271 NH2 ARG A 82 -5.993 -15.135 -1.927 1.00 62.54 N ATOM 0 H ARG A 82 -3.720 -9.436 -6.257 1.00 4.24 H new ATOM 0 HA ARG A 82 -4.350 -12.321 -6.640 1.00 10.31 H new ATOM 0 HB2 ARG A 82 -5.999 -10.203 -5.197 1.00 51.23 H new ATOM 0 HB3 ARG A 82 -6.243 -11.938 -5.176 1.00 51.23 H new ATOM 0 HG2 ARG A 82 -3.804 -10.549 -3.992 1.00 71.43 H new ATOM 0 HG3 ARG A 82 -5.227 -10.989 -3.068 1.00 71.43 H new ATOM 0 HD2 ARG A 82 -3.585 -13.015 -4.638 1.00 64.33 H new ATOM 0 HD3 ARG A 82 -3.267 -12.625 -2.959 1.00 64.33 H new ATOM 0 HE ARG A 82 -5.915 -13.691 -3.884 1.00 4.44 H new ATOM 0 HH11 ARG A 82 -3.165 -13.747 -1.722 1.00 23.51 H new ATOM 0 HH12 ARG A 82 -3.914 -14.936 -0.651 1.00 23.51 H new ATOM 0 HH21 ARG A 82 -6.823 -15.164 -2.519 1.00 62.54 H new ATOM 0 HH22 ARG A 82 -5.941 -15.721 -1.094 1.00 62.54 H new ATOM 1285 N GLN A 83 -6.109 -11.883 -8.404 1.00 4.21 N ATOM 1286 CA GLN A 83 -6.955 -11.602 -9.570 1.00 34.32 C ATOM 1287 C GLN A 83 -8.370 -11.200 -9.126 1.00 71.30 C ATOM 1288 O GLN A 83 -9.008 -11.898 -8.332 1.00 70.23 O ATOM 1289 CB GLN A 83 -7.001 -12.819 -10.504 1.00 31.23 C ATOM 1290 CG GLN A 83 -7.651 -12.534 -11.856 1.00 64.43 C ATOM 1291 CD GLN A 83 -7.548 -13.707 -12.818 1.00 31.54 C ATOM 1292 OE1 GLN A 83 -8.426 -14.559 -12.872 1.00 12.32 O ATOM 1293 NE2 GLN A 83 -6.472 -13.767 -13.578 1.00 13.13 N ATOM 0 H GLN A 83 -5.988 -12.874 -8.195 1.00 4.21 H new ATOM 0 HA GLN A 83 -6.522 -10.766 -10.119 1.00 34.32 H new ATOM 0 HB2 GLN A 83 -5.985 -13.178 -10.668 1.00 31.23 H new ATOM 0 HB3 GLN A 83 -7.547 -13.623 -10.011 1.00 31.23 H new ATOM 0 HG2 GLN A 83 -8.701 -12.286 -11.704 1.00 64.43 H new ATOM 0 HG3 GLN A 83 -7.179 -11.660 -12.304 1.00 64.43 H new ATOM 0 HE21 GLN A 83 -5.758 -13.042 -13.510 1.00 13.13 H new ATOM 0 HE22 GLN A 83 -6.354 -14.539 -14.234 1.00 13.13 H new ATOM 1302 N VAL A 84 -8.859 -10.083 -9.655 1.00 62.41 N ATOM 1303 CA VAL A 84 -10.093 -9.464 -9.163 1.00 3.23 C ATOM 1304 C VAL A 84 -11.346 -10.003 -9.877 1.00 72.24 C ATOM 1305 O VAL A 84 -11.422 -9.991 -11.108 1.00 31.20 O ATOM 1306 CB VAL A 84 -10.039 -7.925 -9.339 1.00 34.53 C ATOM 1307 CG1 VAL A 84 -11.276 -7.254 -8.741 1.00 53.33 C ATOM 1308 CG2 VAL A 84 -8.757 -7.356 -8.728 1.00 22.34 C ATOM 0 H VAL A 84 -8.420 -9.583 -10.428 1.00 62.41 H new ATOM 0 HA VAL A 84 -10.166 -9.719 -8.106 1.00 3.23 H new ATOM 0 HB VAL A 84 -10.032 -7.710 -10.407 1.00 34.53 H new ATOM 0 HG11 VAL A 84 -11.208 -6.175 -8.881 1.00 53.33 H new ATOM 0 HG12 VAL A 84 -12.170 -7.629 -9.239 1.00 53.33 H new ATOM 0 HG13 VAL A 84 -11.333 -7.479 -7.676 1.00 53.33 H new ATOM 0 HG21 VAL A 84 -8.739 -6.274 -8.862 1.00 22.34 H new ATOM 0 HG22 VAL A 84 -8.726 -7.590 -7.664 1.00 22.34 H new ATOM 0 HG23 VAL A 84 -7.891 -7.798 -9.222 1.00 22.34 H new ATOM 1318 N PRO A 85 -12.348 -10.493 -9.111 1.00 11.05 N ATOM 1319 CA PRO A 85 -13.645 -10.910 -9.676 1.00 50.12 C ATOM 1320 C PRO A 85 -14.338 -9.760 -10.425 1.00 41.13 C ATOM 1321 O PRO A 85 -14.640 -8.718 -9.840 1.00 33.43 O ATOM 1322 CB PRO A 85 -14.461 -11.327 -8.439 1.00 2.53 C ATOM 1323 CG PRO A 85 -13.438 -11.642 -7.397 1.00 51.22 C ATOM 1324 CD PRO A 85 -12.294 -10.696 -7.652 1.00 22.41 C ATOM 0 HA PRO A 85 -13.538 -11.708 -10.411 1.00 50.12 H new ATOM 0 HB2 PRO A 85 -15.124 -10.525 -8.113 1.00 2.53 H new ATOM 0 HB3 PRO A 85 -15.088 -12.192 -8.652 1.00 2.53 H new ATOM 0 HG2 PRO A 85 -13.844 -11.504 -6.395 1.00 51.22 H new ATOM 0 HG3 PRO A 85 -13.112 -12.680 -7.469 1.00 51.22 H new ATOM 0 HD2 PRO A 85 -12.417 -9.759 -7.110 1.00 22.41 H new ATOM 0 HD3 PRO A 85 -11.341 -11.122 -7.339 1.00 22.41 H new ATOM 1332 N GLY A 86 -14.571 -9.949 -11.720 1.00 51.22 N ATOM 1333 CA GLY A 86 -15.113 -8.880 -12.555 1.00 2.14 C ATOM 1334 C GLY A 86 -14.064 -8.278 -13.486 1.00 22.43 C ATOM 1335 O GLY A 86 -14.374 -7.423 -14.322 1.00 61.31 O ATOM 0 H GLY A 86 -14.395 -10.825 -12.212 1.00 51.22 H new ATOM 0 HA2 GLY A 86 -15.940 -9.270 -13.148 1.00 2.14 H new ATOM 0 HA3 GLY A 86 -15.521 -8.096 -11.917 1.00 2.14 H new ATOM 1339 N SER A 87 -12.819 -8.730 -13.343 1.00 11.04 N ATOM 1340 CA SER A 87 -11.702 -8.259 -14.177 1.00 74.33 C ATOM 1341 C SER A 87 -10.831 -9.434 -14.648 1.00 63.13 C ATOM 1342 O SER A 87 -10.862 -10.519 -14.062 1.00 44.01 O ATOM 1343 CB SER A 87 -10.829 -7.259 -13.398 1.00 0.21 C ATOM 1344 OG SER A 87 -11.545 -6.072 -13.078 1.00 2.22 O ATOM 0 H SER A 87 -12.552 -9.430 -12.651 1.00 11.04 H new ATOM 0 HA SER A 87 -12.129 -7.764 -15.049 1.00 74.33 H new ATOM 0 HB2 SER A 87 -10.471 -7.726 -12.481 1.00 0.21 H new ATOM 0 HB3 SER A 87 -9.950 -7.005 -13.990 1.00 0.21 H new ATOM 0 HG SER A 87 -10.961 -5.461 -12.583 1.00 2.22 H new ATOM 1350 N THR A 88 -10.067 -9.225 -15.719 1.00 53.43 N ATOM 1351 CA THR A 88 -9.106 -10.238 -16.189 1.00 0.05 C ATOM 1352 C THR A 88 -7.695 -9.951 -15.649 1.00 14.53 C ATOM 1353 O THR A 88 -6.826 -10.826 -15.635 1.00 2.45 O ATOM 1354 CB THR A 88 -9.057 -10.324 -17.737 1.00 31.34 C ATOM 1355 OG1 THR A 88 -8.149 -11.357 -18.149 1.00 22.35 O ATOM 1356 CG2 THR A 88 -8.633 -8.999 -18.365 1.00 4.11 C ATOM 0 H THR A 88 -10.089 -8.372 -16.278 1.00 53.43 H new ATOM 0 HA THR A 88 -9.454 -11.197 -15.805 1.00 0.05 H new ATOM 0 HB THR A 88 -10.065 -10.558 -18.081 1.00 31.34 H new ATOM 0 HG1 THR A 88 -7.410 -11.417 -17.509 1.00 22.35 H new ATOM 0 HG21 THR A 88 -8.611 -9.101 -19.450 1.00 4.11 H new ATOM 0 HG22 THR A 88 -9.344 -8.221 -18.088 1.00 4.11 H new ATOM 0 HG23 THR A 88 -7.640 -8.727 -18.006 1.00 4.11 H new ATOM 1364 N GLN A 89 -7.478 -8.713 -15.201 1.00 70.32 N ATOM 1365 CA GLN A 89 -6.200 -8.306 -14.609 1.00 51.25 C ATOM 1366 C GLN A 89 -6.165 -8.610 -13.103 1.00 4.30 C ATOM 1367 O GLN A 89 -7.207 -8.768 -12.459 1.00 1.11 O ATOM 1368 CB GLN A 89 -5.958 -6.808 -14.845 1.00 31.33 C ATOM 1369 CG GLN A 89 -6.956 -5.894 -14.134 1.00 31.24 C ATOM 1370 CD GLN A 89 -6.781 -4.426 -14.498 1.00 50.14 C ATOM 1371 OE1 GLN A 89 -6.367 -4.154 -15.722 1.00 33.13 O flip ATOM 1372 NE2 GLN A 89 -7.033 -3.538 -13.688 1.00 70.24 N flip ATOM 0 H GLN A 89 -8.175 -7.970 -15.237 1.00 70.32 H new ATOM 0 HA GLN A 89 -5.409 -8.878 -15.093 1.00 51.25 H new ATOM 0 HB2 GLN A 89 -4.951 -6.557 -14.512 1.00 31.33 H new ATOM 0 HB3 GLN A 89 -5.999 -6.609 -15.916 1.00 31.33 H new ATOM 0 HG2 GLN A 89 -7.970 -6.207 -14.385 1.00 31.24 H new ATOM 0 HG3 GLN A 89 -6.844 -6.011 -13.056 1.00 31.24 H new ATOM 0 HE21 GLN A 89 -7.351 -3.779 -12.749 1.00 70.24 H new ATOM 0 HE22 GLN A 89 -6.924 -2.559 -13.954 1.00 70.24 H new ATOM 1381 N LYS A 90 -4.964 -8.693 -12.548 1.00 3.44 N ATOM 1382 CA LYS A 90 -4.783 -8.956 -11.118 1.00 55.31 C ATOM 1383 C LYS A 90 -4.184 -7.736 -10.400 1.00 71.52 C ATOM 1384 O LYS A 90 -3.258 -7.101 -10.903 1.00 71.12 O ATOM 1385 CB LYS A 90 -3.901 -10.198 -10.929 1.00 62.35 C ATOM 1386 CG LYS A 90 -2.507 -10.083 -11.543 1.00 74.31 C ATOM 1387 CD LYS A 90 -1.788 -11.431 -11.561 1.00 31.53 C ATOM 1388 CE LYS A 90 -1.734 -12.076 -10.183 1.00 40.10 C ATOM 1389 NZ LYS A 90 -1.141 -13.436 -10.233 1.00 60.45 N ATOM 0 H LYS A 90 -4.092 -8.582 -13.066 1.00 3.44 H new ATOM 0 HA LYS A 90 -5.758 -9.146 -10.670 1.00 55.31 H new ATOM 0 HB2 LYS A 90 -3.799 -10.397 -9.862 1.00 62.35 H new ATOM 0 HB3 LYS A 90 -4.408 -11.058 -11.367 1.00 62.35 H new ATOM 0 HG2 LYS A 90 -2.587 -9.699 -12.560 1.00 74.31 H new ATOM 0 HG3 LYS A 90 -1.917 -9.363 -10.976 1.00 74.31 H new ATOM 0 HD2 LYS A 90 -2.296 -12.102 -12.254 1.00 31.53 H new ATOM 0 HD3 LYS A 90 -0.774 -11.294 -11.936 1.00 31.53 H new ATOM 0 HE2 LYS A 90 -1.148 -11.449 -9.511 1.00 40.10 H new ATOM 0 HE3 LYS A 90 -2.741 -12.134 -9.769 1.00 40.10 H new ATOM 0 HZ1 LYS A 90 -1.122 -13.842 -9.276 1.00 60.45 H new ATOM 0 HZ2 LYS A 90 -1.714 -14.042 -10.854 1.00 60.45 H new ATOM 0 HZ3 LYS A 90 -0.171 -13.378 -10.604 1.00 60.45 H new ATOM 1403 N ALA A 91 -4.719 -7.413 -9.224 1.00 4.22 N ATOM 1404 CA ALA A 91 -4.294 -6.222 -8.479 1.00 13.43 C ATOM 1405 C ALA A 91 -3.505 -6.595 -7.217 1.00 25.41 C ATOM 1406 O ALA A 91 -3.731 -7.645 -6.615 1.00 73.43 O ATOM 1407 CB ALA A 91 -5.510 -5.377 -8.111 1.00 10.22 C ATOM 0 H ALA A 91 -5.448 -7.958 -8.764 1.00 4.22 H new ATOM 0 HA ALA A 91 -3.632 -5.643 -9.122 1.00 13.43 H new ATOM 0 HB1 ALA A 91 -5.186 -4.495 -7.558 1.00 10.22 H new ATOM 0 HB2 ALA A 91 -6.026 -5.067 -9.020 1.00 10.22 H new ATOM 0 HB3 ALA A 91 -6.188 -5.965 -7.492 1.00 10.22 H new ATOM 1413 N LEU A 92 -2.580 -5.727 -6.825 1.00 41.23 N ATOM 1414 CA LEU A 92 -1.756 -5.952 -5.635 1.00 10.51 C ATOM 1415 C LEU A 92 -2.514 -5.576 -4.348 1.00 55.44 C ATOM 1416 O LEU A 92 -2.794 -4.404 -4.097 1.00 33.04 O ATOM 1417 CB LEU A 92 -0.455 -5.141 -5.751 1.00 11.20 C ATOM 1418 CG LEU A 92 0.513 -5.248 -4.557 1.00 31.42 C ATOM 1419 CD1 LEU A 92 1.121 -6.646 -4.461 1.00 52.53 C ATOM 1420 CD2 LEU A 92 1.611 -4.188 -4.661 1.00 12.22 C ATOM 0 H LEU A 92 -2.378 -4.855 -7.314 1.00 41.23 H new ATOM 0 HA LEU A 92 -1.517 -7.014 -5.575 1.00 10.51 H new ATOM 0 HB2 LEU A 92 0.071 -5.461 -6.650 1.00 11.20 H new ATOM 0 HB3 LEU A 92 -0.715 -4.092 -5.890 1.00 11.20 H new ATOM 0 HG LEU A 92 -0.057 -5.069 -3.645 1.00 31.42 H new ATOM 0 HD11 LEU A 92 1.799 -6.690 -3.609 1.00 52.53 H new ATOM 0 HD12 LEU A 92 0.326 -7.380 -4.330 1.00 52.53 H new ATOM 0 HD13 LEU A 92 1.672 -6.867 -5.375 1.00 52.53 H new ATOM 0 HD21 LEU A 92 2.286 -4.278 -3.810 1.00 12.22 H new ATOM 0 HD22 LEU A 92 2.171 -4.334 -5.585 1.00 12.22 H new ATOM 0 HD23 LEU A 92 1.160 -3.196 -4.663 1.00 12.22 H new ATOM 1432 N TYR A 93 -2.858 -6.581 -3.548 1.00 11.44 N ATOM 1433 CA TYR A 93 -3.514 -6.362 -2.252 1.00 13.01 C ATOM 1434 C TYR A 93 -2.489 -6.344 -1.110 1.00 34.34 C ATOM 1435 O TYR A 93 -1.547 -7.141 -1.083 1.00 52.11 O ATOM 1436 CB TYR A 93 -4.587 -7.432 -1.995 1.00 12.33 C ATOM 1437 CG TYR A 93 -5.815 -7.294 -2.877 1.00 34.14 C ATOM 1438 CD1 TYR A 93 -5.803 -7.716 -4.201 1.00 0.21 C ATOM 1439 CD2 TYR A 93 -6.990 -6.738 -2.378 1.00 12.24 C ATOM 1440 CE1 TYR A 93 -6.924 -7.588 -5.000 1.00 15.31 C ATOM 1441 CE2 TYR A 93 -8.112 -6.607 -3.171 1.00 3.41 C ATOM 1442 CZ TYR A 93 -8.075 -7.032 -4.479 1.00 14.25 C ATOM 1443 OH TYR A 93 -9.194 -6.903 -5.269 1.00 20.32 O ATOM 0 H TYR A 93 -2.694 -7.563 -3.772 1.00 11.44 H new ATOM 0 HA TYR A 93 -4.001 -5.387 -2.286 1.00 13.01 H new ATOM 0 HB2 TYR A 93 -4.148 -8.418 -2.151 1.00 12.33 H new ATOM 0 HB3 TYR A 93 -4.894 -7.381 -0.950 1.00 12.33 H new ATOM 0 HD1 TYR A 93 -4.904 -8.151 -4.612 1.00 0.21 H new ATOM 0 HD2 TYR A 93 -7.024 -6.403 -1.352 1.00 12.24 H new ATOM 0 HE1 TYR A 93 -6.899 -7.921 -6.027 1.00 15.31 H new ATOM 0 HE2 TYR A 93 -9.015 -6.173 -2.767 1.00 3.41 H new ATOM 0 HH TYR A 93 -9.917 -6.494 -4.748 1.00 20.32 H new ATOM 1453 N LEU A 94 -2.682 -5.423 -0.170 1.00 63.05 N ATOM 1454 CA LEU A 94 -1.719 -5.194 0.908 1.00 1.20 C ATOM 1455 C LEU A 94 -2.377 -5.315 2.292 1.00 65.31 C ATOM 1456 O LEU A 94 -3.557 -5.007 2.460 1.00 32.42 O ATOM 1457 CB LEU A 94 -1.118 -3.787 0.764 1.00 71.13 C ATOM 1458 CG LEU A 94 -0.591 -3.425 -0.636 1.00 41.13 C ATOM 1459 CD1 LEU A 94 -0.090 -1.984 -0.675 1.00 60.43 C ATOM 1460 CD2 LEU A 94 0.506 -4.387 -1.070 1.00 30.33 C ATOM 0 H LEU A 94 -3.502 -4.818 -0.132 1.00 63.05 H new ATOM 0 HA LEU A 94 -0.942 -5.955 0.830 1.00 1.20 H new ATOM 0 HB2 LEU A 94 -1.877 -3.057 1.046 1.00 71.13 H new ATOM 0 HB3 LEU A 94 -0.300 -3.687 1.477 1.00 71.13 H new ATOM 0 HG LEU A 94 -1.420 -3.515 -1.338 1.00 41.13 H new ATOM 0 HD11 LEU A 94 0.277 -1.753 -1.675 1.00 60.43 H new ATOM 0 HD12 LEU A 94 -0.907 -1.308 -0.423 1.00 60.43 H new ATOM 0 HD13 LEU A 94 0.718 -1.860 0.046 1.00 60.43 H new ATOM 0 HD21 LEU A 94 0.861 -4.110 -2.062 1.00 30.33 H new ATOM 0 HD22 LEU A 94 1.333 -4.339 -0.362 1.00 30.33 H new ATOM 0 HD23 LEU A 94 0.110 -5.402 -1.097 1.00 30.33 H new ATOM 1472 N ARG A 95 -1.606 -5.760 3.279 1.00 30.42 N ATOM 1473 CA ARG A 95 -2.049 -5.733 4.679 1.00 61.34 C ATOM 1474 C ARG A 95 -0.855 -5.547 5.628 1.00 24.33 C ATOM 1475 O ARG A 95 0.294 -5.763 5.245 1.00 65.50 O ATOM 1476 CB ARG A 95 -2.829 -7.005 5.048 1.00 62.32 C ATOM 1477 CG ARG A 95 -2.016 -8.296 4.982 1.00 31.20 C ATOM 1478 CD ARG A 95 -2.778 -9.470 5.595 1.00 1.32 C ATOM 1479 NE ARG A 95 -3.159 -9.200 6.983 1.00 10.32 N ATOM 1480 CZ ARG A 95 -3.843 -10.014 7.739 1.00 25.15 C ATOM 1481 NH1 ARG A 95 -4.182 -11.185 7.308 1.00 74.23 N ATOM 1482 NH2 ARG A 95 -4.163 -9.655 8.938 1.00 20.33 N ATOM 0 H ARG A 95 -0.671 -6.144 3.141 1.00 30.42 H new ATOM 0 HA ARG A 95 -2.720 -4.881 4.791 1.00 61.34 H new ATOM 0 HB2 ARG A 95 -3.224 -6.892 6.058 1.00 62.32 H new ATOM 0 HB3 ARG A 95 -3.685 -7.096 4.379 1.00 62.32 H new ATOM 0 HG2 ARG A 95 -1.773 -8.521 3.944 1.00 31.20 H new ATOM 0 HG3 ARG A 95 -1.071 -8.160 5.508 1.00 31.20 H new ATOM 0 HD2 ARG A 95 -3.672 -9.672 5.005 1.00 1.32 H new ATOM 0 HD3 ARG A 95 -2.160 -10.367 5.555 1.00 1.32 H new ATOM 0 HE ARG A 95 -2.868 -8.310 7.388 1.00 10.32 H new ATOM 0 HH11 ARG A 95 -3.915 -11.480 6.369 1.00 74.23 H new ATOM 0 HH12 ARG A 95 -4.717 -11.814 7.907 1.00 74.23 H new ATOM 0 HH21 ARG A 95 -3.881 -8.740 9.289 1.00 20.33 H new ATOM 0 HH22 ARG A 95 -4.698 -10.287 9.534 1.00 20.33 H new ATOM 1496 N ALA A 96 -1.132 -5.143 6.865 1.00 3.03 N ATOM 1497 CA ALA A 96 -0.072 -4.860 7.846 1.00 63.11 C ATOM 1498 C ALA A 96 0.638 -6.139 8.325 1.00 22.30 C ATOM 1499 O ALA A 96 0.021 -7.201 8.443 1.00 74.55 O ATOM 1500 CB ALA A 96 -0.655 -4.107 9.035 1.00 44.40 C ATOM 0 H ALA A 96 -2.079 -5.002 7.218 1.00 3.03 H new ATOM 0 HA ALA A 96 0.677 -4.243 7.350 1.00 63.11 H new ATOM 0 HB1 ALA A 96 0.135 -3.901 9.758 1.00 44.40 H new ATOM 0 HB2 ALA A 96 -1.089 -3.167 8.693 1.00 44.40 H new ATOM 0 HB3 ALA A 96 -1.428 -4.714 9.506 1.00 44.40 H new ATOM 1506 N LYS A 97 1.935 -6.023 8.618 1.00 33.34 N ATOM 1507 CA LYS A 97 2.723 -7.155 9.119 1.00 22.32 C ATOM 1508 C LYS A 97 2.434 -7.406 10.609 1.00 71.12 C ATOM 1509 O LYS A 97 2.912 -6.682 11.484 1.00 0.24 O ATOM 1510 CB LYS A 97 4.227 -6.887 8.913 1.00 41.11 C ATOM 1511 CG LYS A 97 5.156 -7.930 9.545 1.00 33.32 C ATOM 1512 CD LYS A 97 5.050 -9.298 8.869 1.00 20.21 C ATOM 1513 CE LYS A 97 5.535 -9.259 7.423 1.00 24.23 C ATOM 1514 NZ LYS A 97 5.598 -10.615 6.822 1.00 30.20 N ATOM 0 H LYS A 97 2.464 -5.157 8.517 1.00 33.34 H new ATOM 0 HA LYS A 97 2.438 -8.045 8.558 1.00 22.32 H new ATOM 0 HB2 LYS A 97 4.431 -6.840 7.843 1.00 41.11 H new ATOM 0 HB3 LYS A 97 4.468 -5.908 9.327 1.00 41.11 H new ATOM 0 HG2 LYS A 97 6.186 -7.578 9.485 1.00 33.32 H new ATOM 0 HG3 LYS A 97 4.915 -8.032 10.603 1.00 33.32 H new ATOM 0 HD2 LYS A 97 5.637 -10.026 9.429 1.00 20.21 H new ATOM 0 HD3 LYS A 97 4.014 -9.636 8.895 1.00 20.21 H new ATOM 0 HE2 LYS A 97 4.867 -8.631 6.833 1.00 24.23 H new ATOM 0 HE3 LYS A 97 6.522 -8.799 7.384 1.00 24.23 H new ATOM 0 HZ1 LYS A 97 5.932 -10.544 5.840 1.00 30.20 H new ATOM 0 HZ2 LYS A 97 6.255 -11.207 7.369 1.00 30.20 H new ATOM 0 HZ3 LYS A 97 4.651 -11.045 6.836 1.00 30.20 H new