USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 641 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc=-0.00456 USER MOD Set 1.3: A 91 ASN : amide:sc=-0.00212 K(o=-0.0067,f=-2.3) USER MOD Single : A 20 THR OG1 : rot 90:sc= -0.27 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00705) USER MOD Single : A 34 SER OG : rot 180:sc= -0.014 USER MOD Single : A 36 SER OG : rot -64:sc= 0.569 USER MOD Single : A 38 ASN : amide:sc= -0.637 K(o=-0.64,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.132 (180deg=-0.696) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 85:sc= -1.26 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.9) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.718 F(o=-2.2,f=-0.72) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.05 F(o=-2,f=-1) USER MOD Single : A 66 TYR OH : rot 170:sc= -0.108 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= -0.475 (180deg=-0.538) USER MOD Single : A 73 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.207 F(o=-1.1,f=-0.21) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 92 ASN :FLIP amide:sc= -3.67! C(o=-5.7!,f=-3.7!) USER MOD Single : A 95 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-6.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.275 38.151 8.517 1.00 33.52 N ATOM 244 CA ARG A 18 7.109 37.413 9.763 1.00 13.22 C ATOM 245 C ARG A 18 6.661 35.980 9.491 1.00 32.13 C ATOM 246 O ARG A 18 5.472 35.690 9.360 1.00 45.04 O ATOM 247 CB ARG A 18 6.091 38.115 10.663 1.00 74.21 C ATOM 248 CG ARG A 18 6.374 37.949 12.147 1.00 51.14 C ATOM 249 CD ARG A 18 6.450 36.481 12.538 1.00 72.54 C ATOM 250 NE ARG A 18 6.763 36.307 13.954 1.00 24.34 N ATOM 251 CZ ARG A 18 5.858 36.396 14.923 1.00 34.35 C ATOM 252 NH1 ARG A 18 4.591 36.655 14.631 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.221 36.226 16.189 1.00 44.41 N ATOM 0 HA ARG A 18 8.073 37.383 10.270 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.077 39.178 10.421 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.097 37.725 10.445 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.313 38.443 12.397 1.00 51.14 H new ATOM 0 HG3 ARG A 18 5.592 38.441 12.725 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.499 35.997 12.315 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.210 35.984 11.935 1.00 72.54 H new ATOM 0 HE ARG A 18 7.729 36.106 14.213 1.00 24.34 H new ATOM 0 HH11 ARG A 18 4.308 36.787 13.660 1.00 13.44 H new ATOM 0 HH12 ARG A 18 3.899 36.723 15.377 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.195 36.027 16.418 1.00 44.41 H new ATOM 0 HH22 ARG A 18 5.526 36.294 16.932 1.00 44.41 H new ATOM 267 N PRO A 19 7.634 35.062 9.403 1.00 42.30 N ATOM 268 CA PRO A 19 7.364 33.644 9.146 1.00 72.54 C ATOM 269 C PRO A 19 6.689 32.958 10.329 1.00 40.44 C ATOM 270 O PRO A 19 6.915 33.324 11.483 1.00 14.01 O ATOM 271 CB PRO A 19 8.757 33.055 8.910 1.00 10.11 C ATOM 272 CG PRO A 19 9.682 33.964 9.642 1.00 63.22 C ATOM 273 CD PRO A 19 9.073 35.337 9.549 1.00 44.21 C ATOM 0 HA PRO A 19 6.680 33.505 8.309 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.824 32.035 9.287 1.00 10.11 H new ATOM 0 HB3 PRO A 19 8.997 33.019 7.847 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.791 33.655 10.682 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.677 33.948 9.198 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.281 35.930 10.440 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.464 35.893 8.697 1.00 44.21 H new ATOM 281 N THR A 20 5.861 31.961 10.035 1.00 65.22 N ATOM 282 CA THR A 20 5.152 31.225 11.075 1.00 1.42 C ATOM 283 C THR A 20 5.470 29.735 11.007 1.00 44.04 C ATOM 284 O THR A 20 5.564 29.159 9.924 1.00 14.52 O ATOM 285 CB THR A 20 3.629 31.418 10.962 1.00 74.14 C ATOM 286 OG1 THR A 20 3.294 32.797 11.161 1.00 14.13 O ATOM 287 CG2 THR A 20 2.897 30.560 11.983 1.00 21.30 C ATOM 0 H THR A 20 5.665 31.644 9.085 1.00 65.22 H new ATOM 0 HA THR A 20 5.491 31.624 12.031 1.00 1.42 H new ATOM 0 HB THR A 20 3.319 31.110 9.964 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.306 33.264 10.300 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.822 30.713 11.884 1.00 21.30 H new ATOM 0 HG22 THR A 20 3.131 29.510 11.810 1.00 21.30 H new ATOM 0 HG23 THR A 20 3.212 30.841 12.988 1.00 21.30 H new ATOM 295 N VAL A 21 5.636 29.117 12.172 1.00 72.24 N ATOM 296 CA VAL A 21 5.942 27.694 12.246 1.00 21.13 C ATOM 297 C VAL A 21 4.761 26.905 12.801 1.00 13.22 C ATOM 298 O VAL A 21 4.326 27.134 13.931 1.00 54.24 O ATOM 299 CB VAL A 21 7.180 27.429 13.122 1.00 64.20 C ATOM 300 CG1 VAL A 21 7.008 28.064 14.494 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.436 25.935 13.245 1.00 62.22 C ATOM 0 H VAL A 21 5.564 29.580 13.078 1.00 72.24 H new ATOM 0 HA VAL A 21 6.150 27.363 11.228 1.00 21.13 H new ATOM 0 HB VAL A 21 8.047 27.884 12.643 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.892 27.867 15.100 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.877 29.140 14.383 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.131 27.640 14.984 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.315 25.766 13.868 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.571 25.454 13.701 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.606 25.512 12.255 1.00 62.22 H new ATOM 311 N ILE A 22 4.247 25.977 12.001 1.00 3.43 N ATOM 312 CA ILE A 22 3.117 25.154 12.415 1.00 12.44 C ATOM 313 C ILE A 22 3.551 23.715 12.675 1.00 32.43 C ATOM 314 O ILE A 22 4.465 23.206 12.027 1.00 24.12 O ATOM 315 CB ILE A 22 2.000 25.158 11.355 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.640 26.594 10.968 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.775 24.420 11.874 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.577 26.682 9.894 1.00 60.50 C ATOM 0 H ILE A 22 4.595 25.776 11.063 1.00 3.43 H new ATOM 0 HA ILE A 22 2.732 25.587 13.338 1.00 12.44 H new ATOM 0 HB ILE A 22 2.361 24.642 10.465 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.294 27.125 11.855 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.539 27.104 10.621 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.006 24.431 11.114 1.00 52.15 H new ATOM 0 HG22 ILE A 22 1.042 23.389 12.104 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.410 24.911 12.776 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.372 27.729 9.670 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.928 26.180 8.993 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.336 26.201 10.245 1.00 60.50 H new ATOM 330 N ARG A 23 2.888 23.065 13.626 1.00 11.32 N ATOM 331 CA ARG A 23 3.204 21.685 13.971 1.00 71.41 C ATOM 332 C ARG A 23 2.016 20.770 13.695 1.00 72.25 C ATOM 333 O ARG A 23 0.866 21.211 13.697 1.00 15.13 O ATOM 334 CB ARG A 23 3.610 21.584 15.442 1.00 10.01 C ATOM 335 CG ARG A 23 4.047 20.190 15.860 1.00 51.15 C ATOM 336 CD ARG A 23 4.577 20.176 17.285 1.00 13.14 C ATOM 337 NE ARG A 23 3.664 20.836 18.215 1.00 73.24 N ATOM 338 CZ ARG A 23 2.544 20.281 18.665 1.00 1.22 C ATOM 339 NH1 ARG A 23 2.201 19.062 18.272 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 1.766 20.945 19.510 1.00 60.42 N ATOM 0 H ARG A 23 2.128 23.473 14.171 1.00 11.32 H new ATOM 0 HA ARG A 23 4.039 21.364 13.349 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.424 22.283 15.634 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.770 21.894 16.064 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.204 19.503 15.777 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.819 19.830 15.180 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.736 19.145 17.603 1.00 13.14 H new ATOM 0 HD3 ARG A 23 5.547 20.672 17.316 1.00 13.14 H new ATOM 0 HE ARG A 23 3.899 21.775 18.537 1.00 73.24 H new ATOM 0 HH11 ARG A 23 2.797 18.549 17.623 1.00 61.23 H new ATOM 0 HH12 ARG A 23 1.341 18.638 18.619 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.028 21.883 19.815 1.00 60.42 H new ATOM 0 HH22 ARG A 23 0.906 20.518 19.855 1.00 60.42 H new ATOM 354 N TRP A 24 2.300 19.494 13.460 1.00 3.23 N ATOM 355 CA TRP A 24 1.253 18.516 13.182 1.00 15.23 C ATOM 356 C TRP A 24 1.429 17.272 14.046 1.00 63.45 C ATOM 357 O TRP A 24 2.530 16.733 14.158 1.00 54.01 O ATOM 358 CB TRP A 24 1.266 18.131 11.702 1.00 72.25 C ATOM 359 CG TRP A 24 0.355 16.985 11.378 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.720 15.693 11.128 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.072 17.029 11.270 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.394 14.932 10.869 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.505 15.728 10.951 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.025 18.041 11.412 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.851 15.415 10.772 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.360 17.730 11.233 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.763 16.425 10.917 1.00 33.23 C ATOM 0 H TRP A 24 3.246 19.112 13.456 1.00 3.23 H new ATOM 0 HA TRP A 24 0.292 18.970 13.423 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.975 18.996 11.106 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.284 17.871 11.411 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.735 15.324 11.133 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.394 13.936 10.651 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.724 19.049 11.657 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.164 14.411 10.527 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.105 18.505 11.338 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.814 16.213 10.785 1.00 33.23 H new ATOM 378 N SER A 25 0.336 16.820 14.654 1.00 32.42 N ATOM 379 CA SER A 25 0.370 15.640 15.509 1.00 61.31 C ATOM 380 C SER A 25 -0.675 14.619 15.071 1.00 1.43 C ATOM 381 O SER A 25 -1.877 14.876 15.143 1.00 0.20 O ATOM 382 CB SER A 25 0.133 16.036 16.968 1.00 74.14 C ATOM 383 OG SER A 25 0.213 14.907 17.822 1.00 11.02 O ATOM 0 H SER A 25 -0.583 17.254 14.570 1.00 32.42 H new ATOM 0 HA SER A 25 1.356 15.184 15.418 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.871 16.778 17.271 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.847 16.502 17.067 1.00 74.14 H new ATOM 0 HG SER A 25 0.060 15.186 18.749 1.00 11.02 H new ATOM 389 N GLU A 26 -0.207 13.461 14.617 1.00 53.04 N ATOM 390 CA GLU A 26 -1.102 12.401 14.164 1.00 60.10 C ATOM 391 C GLU A 26 -0.371 11.063 14.099 1.00 74.23 C ATOM 392 O GLU A 26 -0.883 10.040 14.551 1.00 22.33 O ATOM 393 CB GLU A 26 -1.684 12.745 12.792 1.00 62.15 C ATOM 394 CG GLU A 26 -3.041 12.115 12.531 1.00 12.22 C ATOM 395 CD GLU A 26 -4.063 12.468 13.595 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.421 13.660 13.702 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.503 11.553 14.320 1.00 61.43 O ATOM 0 H GLU A 26 0.785 13.232 14.553 1.00 53.04 H new ATOM 0 HA GLU A 26 -1.916 12.316 14.884 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -1.773 13.828 12.706 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -0.987 12.420 12.019 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.408 12.441 11.558 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -2.931 11.032 12.483 1.00 12.22 H new ATOM 404 N GLY A 27 0.832 11.080 13.531 1.00 15.14 N ATOM 405 CA GLY A 27 1.614 9.863 13.416 1.00 4.13 C ATOM 406 C GLY A 27 1.665 9.340 11.994 1.00 73.25 C ATOM 407 O GLY A 27 1.561 8.135 11.764 1.00 40.05 O ATOM 0 H GLY A 27 1.278 11.914 13.149 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.628 10.052 13.767 1.00 4.13 H new ATOM 0 HA3 GLY A 27 1.189 9.098 14.066 1.00 4.13 H new ATOM 411 N GLY A 28 1.825 10.248 11.035 1.00 1.41 N ATOM 412 CA GLY A 28 1.884 9.852 9.642 1.00 61.23 C ATOM 413 C GLY A 28 3.305 9.791 9.116 1.00 31.04 C ATOM 414 O GLY A 28 4.249 10.168 9.811 1.00 11.20 O ATOM 0 H GLY A 28 1.915 11.251 11.200 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.414 8.875 9.525 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.308 10.557 9.042 1.00 61.23 H new ATOM 418 N LYS A 29 3.459 9.314 7.885 1.00 2.02 N ATOM 419 CA LYS A 29 4.774 9.205 7.267 1.00 70.24 C ATOM 420 C LYS A 29 5.033 10.378 6.327 1.00 44.33 C ATOM 421 O LYS A 29 6.169 10.830 6.182 1.00 44.34 O ATOM 422 CB LYS A 29 4.891 7.887 6.497 1.00 33.13 C ATOM 423 CG LYS A 29 3.737 7.636 5.543 1.00 54.20 C ATOM 424 CD LYS A 29 2.749 6.630 6.113 1.00 2.42 C ATOM 425 CE LYS A 29 3.208 5.201 5.870 1.00 32.15 C ATOM 426 NZ LYS A 29 2.953 4.766 4.468 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.689 8.997 7.296 1.00 2.02 H new ATOM 0 HA LYS A 29 5.522 9.224 8.059 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.824 7.887 5.933 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.948 7.064 7.209 1.00 33.13 H new ATOM 0 HG2 LYS A 29 3.223 8.575 5.337 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.123 7.269 4.592 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.632 6.799 7.183 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.770 6.781 5.658 1.00 2.42 H new ATOM 0 HE2 LYS A 29 4.273 5.120 6.087 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.691 4.532 6.557 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 3.201 3.761 4.366 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.947 4.899 4.241 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 3.533 5.334 3.817 1.00 31.05 H new ATOM 440 N GLU A 30 3.973 10.867 5.692 1.00 70.41 N ATOM 441 CA GLU A 30 4.087 11.989 4.767 1.00 31.12 C ATOM 442 C GLU A 30 3.047 13.060 5.081 1.00 62.13 C ATOM 443 O GLU A 30 1.843 12.819 4.988 1.00 50.04 O ATOM 444 CB GLU A 30 3.920 11.508 3.324 1.00 52.54 C ATOM 445 CG GLU A 30 5.078 10.659 2.828 1.00 64.11 C ATOM 446 CD GLU A 30 6.356 11.457 2.658 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.434 12.251 1.697 1.00 41.54 O ATOM 448 OE2 GLU A 30 7.277 11.287 3.483 1.00 24.13 O1- ATOM 0 H GLU A 30 3.026 10.504 5.801 1.00 70.41 H new ATOM 0 HA GLU A 30 5.079 12.425 4.885 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.998 10.931 3.246 1.00 52.54 H new ATOM 0 HB3 GLU A 30 3.810 12.374 2.672 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.254 9.845 3.531 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.808 10.205 1.875 1.00 64.11 H new ATOM 455 N VAL A 31 3.520 14.246 5.452 1.00 74.14 N ATOM 456 CA VAL A 31 2.632 15.355 5.779 1.00 50.44 C ATOM 457 C VAL A 31 2.991 16.601 4.978 1.00 42.45 C ATOM 458 O VAL A 31 4.167 16.922 4.801 1.00 5.15 O ATOM 459 CB VAL A 31 2.686 15.692 7.281 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.628 16.727 7.634 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.510 14.433 8.117 1.00 3.42 C ATOM 0 H VAL A 31 4.513 14.463 5.533 1.00 74.14 H new ATOM 0 HA VAL A 31 1.622 15.038 5.520 1.00 50.44 H new ATOM 0 HB VAL A 31 3.665 16.116 7.505 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.681 16.953 8.699 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.804 17.637 7.061 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.640 16.333 7.395 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.551 14.690 9.175 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.546 13.978 7.891 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.307 13.727 7.884 1.00 3.42 H new ATOM 471 N PHE A 32 1.971 17.300 4.492 1.00 3.30 N ATOM 472 CA PHE A 32 2.178 18.512 3.708 1.00 33.30 C ATOM 473 C PHE A 32 1.240 19.624 4.166 1.00 0.43 C ATOM 474 O PHE A 32 0.365 19.406 5.003 1.00 64.31 O ATOM 475 CB PHE A 32 1.960 18.225 2.220 1.00 54.22 C ATOM 476 CG PHE A 32 2.673 16.995 1.736 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.080 15.747 1.844 1.00 31.12 C ATOM 478 CD2 PHE A 32 3.936 17.086 1.173 1.00 61.04 C ATOM 479 CE1 PHE A 32 2.733 14.613 1.399 1.00 15.41 C ATOM 480 CE2 PHE A 32 4.594 15.956 0.726 1.00 62.11 C ATOM 481 CZ PHE A 32 3.992 14.717 0.839 1.00 40.11 C ATOM 0 H PHE A 32 0.992 17.048 4.627 1.00 3.30 H new ATOM 0 HA PHE A 32 3.205 18.843 3.861 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.892 18.114 2.032 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.298 19.083 1.639 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.096 15.660 2.281 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.412 18.051 1.083 1.00 61.04 H new ATOM 0 HE1 PHE A 32 2.260 13.646 1.489 1.00 15.41 H new ATOM 0 HE2 PHE A 32 5.578 16.041 0.289 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.504 13.832 0.491 1.00 40.11 H new ATOM 491 N ILE A 33 1.429 20.816 3.610 1.00 13.34 N ATOM 492 CA ILE A 33 0.600 21.962 3.961 1.00 72.44 C ATOM 493 C ILE A 33 0.308 22.825 2.738 1.00 11.41 C ATOM 494 O ILE A 33 1.179 23.036 1.893 1.00 13.30 O ATOM 495 CB ILE A 33 1.270 22.832 5.042 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.396 24.046 5.364 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.652 23.274 4.583 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.552 24.542 6.784 1.00 0.14 C ATOM 0 H ILE A 33 2.149 21.013 2.915 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.336 21.565 4.354 1.00 72.44 H new ATOM 0 HB ILE A 33 1.382 22.238 5.949 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.643 24.854 4.676 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.649 23.788 5.190 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.113 23.888 5.357 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.272 22.397 4.398 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.562 23.855 3.665 1.00 11.24 H new ATOM 0 HD11 ILE A 33 -0.097 25.404 6.942 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.277 23.749 7.479 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.589 24.832 6.956 1.00 0.14 H new ATOM 510 N SER A 34 -0.920 23.323 2.651 1.00 74.21 N ATOM 511 CA SER A 34 -1.327 24.162 1.530 1.00 21.11 C ATOM 512 C SER A 34 -2.317 25.231 1.982 1.00 75.54 C ATOM 513 O SER A 34 -3.216 24.963 2.780 1.00 75.43 O ATOM 514 CB SER A 34 -1.953 23.307 0.426 1.00 25.35 C ATOM 515 OG SER A 34 -1.086 23.200 -0.690 1.00 52.43 O ATOM 0 H SER A 34 -1.651 23.160 3.343 1.00 74.21 H new ATOM 0 HA SER A 34 -0.438 24.656 1.138 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.176 22.313 0.814 1.00 25.35 H new ATOM 0 HB3 SER A 34 -2.900 23.747 0.114 1.00 25.35 H new ATOM 0 HG SER A 34 -1.508 22.648 -1.381 1.00 52.43 H new ATOM 521 N GLY A 35 -2.145 26.444 1.468 1.00 54.31 N ATOM 522 CA GLY A 35 -3.029 27.537 1.830 1.00 42.32 C ATOM 523 C GLY A 35 -3.021 28.654 0.806 1.00 45.21 C ATOM 524 O GLY A 35 -2.516 28.483 -0.304 1.00 21.03 O ATOM 0 H GLY A 35 -1.409 26.690 0.807 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -4.045 27.157 1.940 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.731 27.935 2.800 1.00 42.32 H new ATOM 528 N SER A 36 -3.583 29.799 1.177 1.00 75.24 N ATOM 529 CA SER A 36 -3.643 30.947 0.281 1.00 34.33 C ATOM 530 C SER A 36 -2.272 31.602 0.143 1.00 71.13 C ATOM 531 O SER A 36 -2.025 32.362 -0.795 1.00 4.31 O ATOM 532 CB SER A 36 -4.659 31.969 0.793 1.00 65.34 C ATOM 533 OG SER A 36 -5.952 31.706 0.276 1.00 13.12 O ATOM 0 H SER A 36 -4.004 29.957 2.093 1.00 75.24 H new ATOM 0 HA SER A 36 -3.958 30.593 -0.701 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.687 31.944 1.882 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.346 32.973 0.505 1.00 65.34 H new ATOM 0 HG SER A 36 -5.943 31.815 -0.698 1.00 13.12 H new ATOM 539 N PHE A 37 -1.383 31.302 1.083 1.00 23.10 N ATOM 540 CA PHE A 37 -0.037 31.862 1.070 1.00 11.12 C ATOM 541 C PHE A 37 0.799 31.239 -0.045 1.00 50.51 C ATOM 542 O PHE A 37 1.897 31.705 -0.346 1.00 73.12 O ATOM 543 CB PHE A 37 0.647 31.637 2.420 1.00 22.03 C ATOM 544 CG PHE A 37 0.811 30.187 2.775 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.861 29.448 2.253 1.00 4.33 C ATOM 546 CD2 PHE A 37 -0.082 29.564 3.630 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.014 28.113 2.577 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.066 28.228 3.958 1.00 24.12 C ATOM 549 CZ PHE A 37 1.116 27.503 3.432 1.00 45.15 C ATOM 0 H PHE A 37 -1.570 30.674 1.864 1.00 23.10 H new ATOM 0 HA PHE A 37 -0.119 32.933 0.887 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.628 32.112 2.405 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.066 32.130 3.199 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.567 29.920 1.586 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.904 30.128 4.046 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.835 27.547 2.162 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.639 27.753 4.624 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.236 26.461 3.688 1.00 45.15 H new ATOM 559 N ASN A 38 0.271 30.183 -0.654 1.00 22.03 N ATOM 560 CA ASN A 38 0.967 29.495 -1.734 1.00 73.21 C ATOM 561 C ASN A 38 0.038 29.264 -2.921 1.00 65.12 C ATOM 562 O ASN A 38 0.346 28.485 -3.822 1.00 33.34 O ATOM 563 CB ASN A 38 1.524 28.157 -1.241 1.00 74.54 C ATOM 564 CG ASN A 38 2.873 27.832 -1.852 1.00 31.23 C ATOM 565 OD1 ASN A 38 3.915 28.044 -1.233 1.00 32.13 O ATOM 566 ND2 ASN A 38 2.858 27.313 -3.074 1.00 70.32 N ATOM 0 H ASN A 38 -0.638 29.785 -0.417 1.00 22.03 H new ATOM 0 HA ASN A 38 1.793 30.127 -2.059 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.617 28.183 -0.155 1.00 74.54 H new ATOM 0 HB3 ASN A 38 0.818 27.362 -1.482 1.00 74.54 H new ATOM 0 HD21 ASN A 38 3.735 27.073 -3.537 1.00 70.32 H new ATOM 0 HD22 ASN A 38 1.970 27.154 -3.550 1.00 70.32 H new ATOM 573 N ASN A 39 -1.103 29.948 -2.915 1.00 74.22 N ATOM 574 CA ASN A 39 -2.078 29.818 -3.991 1.00 43.44 C ATOM 575 C ASN A 39 -2.615 28.392 -4.070 1.00 54.22 C ATOM 576 O ASN A 39 -3.162 27.979 -5.092 1.00 61.41 O ATOM 577 CB ASN A 39 -1.448 30.212 -5.329 1.00 4.25 C ATOM 578 CG ASN A 39 -2.347 31.121 -6.145 1.00 33.23 C ATOM 579 OD1 ASN A 39 -1.891 32.113 -6.715 1.00 13.05 O ATOM 580 ND2 ASN A 39 -3.630 30.786 -6.204 1.00 32.44 N ATOM 0 H ASN A 39 -1.374 30.597 -2.177 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.910 30.489 -3.776 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.498 30.714 -5.146 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -1.228 29.312 -5.903 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -4.283 31.360 -6.738 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -3.963 29.955 -5.716 1.00 32.44 H new ATOM 587 N TRP A 40 -2.455 27.646 -2.983 1.00 11.01 N ATOM 588 CA TRP A 40 -2.924 26.266 -2.928 1.00 32.51 C ATOM 589 C TRP A 40 -2.426 25.473 -4.131 1.00 23.40 C ATOM 590 O TRP A 40 -3.087 24.542 -4.589 1.00 14.41 O ATOM 591 CB TRP A 40 -4.452 26.227 -2.873 1.00 1.54 C ATOM 592 CG TRP A 40 -5.032 27.127 -1.823 1.00 50.23 C ATOM 593 CD1 TRP A 40 -5.206 28.479 -1.909 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.512 26.738 -0.532 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.765 28.954 -0.747 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.964 27.907 0.112 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.607 25.518 0.141 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.499 27.888 1.397 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -6.139 25.501 1.417 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.580 26.679 2.034 1.00 71.30 C ATOM 0 H TRP A 40 -2.004 27.973 -2.128 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.523 25.808 -2.024 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.851 26.512 -3.846 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.776 25.204 -2.683 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.943 29.085 -2.764 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.995 29.929 -0.556 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -5.271 24.604 -0.327 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.838 28.795 1.875 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.216 24.563 1.947 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.992 26.632 3.031 1.00 71.30 H new ATOM 611 N SER A 41 -1.256 25.849 -4.640 1.00 74.51 N ATOM 612 CA SER A 41 -0.672 25.175 -5.793 1.00 24.05 C ATOM 613 C SER A 41 0.131 23.952 -5.357 1.00 42.45 C ATOM 614 O SER A 41 -0.285 22.813 -5.571 1.00 72.12 O ATOM 615 CB SER A 41 0.226 26.137 -6.572 1.00 64.43 C ATOM 616 OG SER A 41 1.070 25.436 -7.468 1.00 75.12 O ATOM 0 H SER A 41 -0.695 26.617 -4.271 1.00 74.51 H new ATOM 0 HA SER A 41 -1.485 24.844 -6.440 1.00 24.05 H new ATOM 0 HB2 SER A 41 -0.390 26.845 -7.127 1.00 64.43 H new ATOM 0 HB3 SER A 41 0.832 26.718 -5.876 1.00 64.43 H new ATOM 0 HG SER A 41 1.632 26.074 -7.955 1.00 75.12 H new ATOM 622 N THR A 42 1.285 24.197 -4.745 1.00 73.54 N ATOM 623 CA THR A 42 2.148 23.119 -4.281 1.00 45.04 C ATOM 624 C THR A 42 2.155 23.036 -2.759 1.00 34.20 C ATOM 625 O THR A 42 2.462 24.012 -2.075 1.00 34.44 O ATOM 626 CB THR A 42 3.594 23.301 -4.781 1.00 1.10 C ATOM 627 OG1 THR A 42 4.462 22.374 -4.118 1.00 15.30 O ATOM 628 CG2 THR A 42 4.077 24.721 -4.532 1.00 52.41 C ATOM 0 H THR A 42 1.644 25.134 -4.559 1.00 73.54 H new ATOM 0 HA THR A 42 1.744 22.193 -4.691 1.00 45.04 H new ATOM 0 HB THR A 42 3.611 23.111 -5.854 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.379 22.495 -4.442 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.100 24.826 -4.893 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.432 25.423 -5.061 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.046 24.934 -3.463 1.00 52.41 H new ATOM 636 N LYS A 43 1.813 21.865 -2.233 1.00 53.21 N ATOM 637 CA LYS A 43 1.782 21.653 -0.790 1.00 62.12 C ATOM 638 C LYS A 43 3.192 21.489 -0.234 1.00 0.51 C ATOM 639 O LYS A 43 3.930 20.592 -0.642 1.00 42.43 O ATOM 640 CB LYS A 43 0.943 20.418 -0.455 1.00 42.01 C ATOM 641 CG LYS A 43 1.465 19.138 -1.083 1.00 13.53 C ATOM 642 CD LYS A 43 0.484 17.991 -0.910 1.00 24.00 C ATOM 643 CE LYS A 43 0.846 16.809 -1.796 1.00 21.13 C ATOM 644 NZ LYS A 43 0.855 17.178 -3.239 1.00 63.23 N1+ ATOM 0 H LYS A 43 1.553 21.047 -2.785 1.00 53.21 H new ATOM 0 HA LYS A 43 1.329 22.530 -0.328 1.00 62.12 H new ATOM 0 HB2 LYS A 43 0.910 20.294 0.627 1.00 42.01 H new ATOM 0 HB3 LYS A 43 -0.082 20.584 -0.788 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.651 19.302 -2.144 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.420 18.873 -0.630 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.473 17.675 0.133 1.00 24.00 H new ATOM 0 HD3 LYS A 43 -0.523 18.333 -1.151 1.00 24.00 H new ATOM 0 HE2 LYS A 43 1.828 16.430 -1.512 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.133 16.001 -1.632 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.716 16.324 -3.816 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.088 17.854 -3.429 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.768 17.614 -3.480 1.00 63.23 H new ATOM 658 N ILE A 44 3.559 22.360 0.700 1.00 50.11 N ATOM 659 CA ILE A 44 4.880 22.309 1.314 1.00 75.21 C ATOM 660 C ILE A 44 4.999 21.124 2.266 1.00 20.24 C ATOM 661 O ILE A 44 4.140 20.891 3.117 1.00 14.21 O ATOM 662 CB ILE A 44 5.192 23.605 2.085 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.606 24.714 1.117 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.285 23.359 3.116 1.00 1.53 C ATOM 665 CD1 ILE A 44 4.436 25.469 0.526 1.00 74.32 C ATOM 0 H ILE A 44 2.960 23.109 1.048 1.00 50.11 H new ATOM 0 HA ILE A 44 5.600 22.195 0.504 1.00 75.21 H new ATOM 0 HB ILE A 44 4.291 23.924 2.609 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.255 25.417 1.639 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.193 24.279 0.308 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.494 24.285 3.653 1.00 1.53 H new ATOM 0 HG22 ILE A 44 5.954 22.597 3.822 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.190 23.019 2.613 1.00 1.53 H new ATOM 0 HD11 ILE A 44 4.805 26.240 -0.151 1.00 74.32 H new ATOM 0 HD12 ILE A 44 3.798 24.778 -0.025 1.00 74.32 H new ATOM 0 HD13 ILE A 44 3.861 25.934 1.327 1.00 74.32 H new ATOM 677 N PRO A 45 6.090 20.356 2.121 1.00 42.30 N ATOM 678 CA PRO A 45 6.348 19.182 2.961 1.00 74.53 C ATOM 679 C PRO A 45 6.686 19.561 4.399 1.00 40.33 C ATOM 680 O PRO A 45 7.545 20.409 4.643 1.00 40.12 O ATOM 681 CB PRO A 45 7.553 18.522 2.285 1.00 11.42 C ATOM 682 CG PRO A 45 8.239 19.632 1.566 1.00 55.22 C ATOM 683 CD PRO A 45 7.154 20.575 1.127 1.00 3.34 C ATOM 0 HA PRO A 45 5.475 18.534 3.036 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.213 18.058 3.018 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.240 17.738 1.596 1.00 11.42 H new ATOM 0 HG2 PRO A 45 8.954 20.136 2.217 1.00 55.22 H new ATOM 0 HG3 PRO A 45 8.798 19.255 0.710 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.497 21.610 1.126 1.00 3.34 H new ATOM 0 HD3 PRO A 45 6.812 20.352 0.116 1.00 3.34 H new ATOM 691 N LEU A 46 6.005 18.928 5.348 1.00 54.51 N ATOM 692 CA LEU A 46 6.233 19.199 6.763 1.00 11.22 C ATOM 693 C LEU A 46 7.472 18.465 7.265 1.00 63.13 C ATOM 694 O LEU A 46 7.512 17.235 7.284 1.00 34.03 O ATOM 695 CB LEU A 46 5.013 18.783 7.585 1.00 1.32 C ATOM 696 CG LEU A 46 4.224 19.918 8.238 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.461 20.710 7.189 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.273 19.369 9.292 1.00 1.43 C ATOM 0 H LEU A 46 5.291 18.224 5.163 1.00 54.51 H new ATOM 0 HA LEU A 46 6.395 20.270 6.881 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.338 18.224 6.938 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.343 18.100 8.368 1.00 1.32 H new ATOM 0 HG LEU A 46 4.929 20.590 8.728 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.905 21.513 7.673 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.163 21.135 6.472 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.766 20.050 6.669 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.720 20.191 9.746 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.574 18.675 8.825 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.843 18.847 10.060 1.00 1.43 H new ATOM 710 N ILE A 47 8.482 19.229 7.671 1.00 41.44 N ATOM 711 CA ILE A 47 9.721 18.651 8.175 1.00 1.41 C ATOM 712 C ILE A 47 9.465 17.791 9.409 1.00 65.02 C ATOM 713 O ILE A 47 9.007 18.285 10.440 1.00 61.11 O ATOM 714 CB ILE A 47 10.748 19.743 8.530 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.919 20.712 7.358 1.00 2.10 C ATOM 716 CG2 ILE A 47 12.082 19.114 8.903 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.329 20.035 6.069 1.00 52.21 C ATOM 0 H ILE A 47 8.466 20.249 7.660 1.00 41.44 H new ATOM 0 HA ILE A 47 10.125 18.028 7.377 1.00 1.41 H new ATOM 0 HB ILE A 47 10.380 20.303 9.390 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.981 21.244 7.197 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.668 21.459 7.621 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.797 19.898 9.151 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.948 18.460 9.764 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.458 18.533 8.061 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.431 20.782 5.282 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.282 19.526 6.212 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.569 19.308 5.782 1.00 52.21 H new ATOM 729 N LYS A 48 9.763 16.502 9.297 1.00 55.44 N ATOM 730 CA LYS A 48 9.569 15.571 10.402 1.00 2.01 C ATOM 731 C LYS A 48 10.627 15.778 11.481 1.00 4.04 C ATOM 732 O LYS A 48 11.823 15.624 11.229 1.00 74.51 O ATOM 733 CB LYS A 48 9.616 14.128 9.896 1.00 32.12 C ATOM 734 CG LYS A 48 9.025 13.123 10.869 1.00 21.33 C ATOM 735 CD LYS A 48 8.877 11.751 10.233 1.00 65.24 C ATOM 736 CE LYS A 48 10.222 11.192 9.795 1.00 55.25 C ATOM 737 NZ LYS A 48 10.479 9.845 10.377 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.141 16.077 8.450 1.00 55.44 H new ATOM 0 HA LYS A 48 8.589 15.764 10.838 1.00 2.01 H new ATOM 0 HB2 LYS A 48 9.077 14.066 8.950 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.652 13.857 9.691 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.663 13.050 11.750 1.00 21.33 H new ATOM 0 HG3 LYS A 48 8.051 13.474 11.209 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.412 11.068 10.943 1.00 65.24 H new ATOM 0 HD3 LYS A 48 8.212 11.818 9.372 1.00 65.24 H new ATOM 0 HE2 LYS A 48 10.252 11.129 8.707 1.00 55.25 H new ATOM 0 HE3 LYS A 48 11.015 11.876 10.097 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 11.405 9.499 10.055 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.475 9.909 11.415 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.736 9.186 10.068 1.00 34.55 H new ATOM 751 N SER A 49 10.181 16.128 12.683 1.00 14.13 N ATOM 752 CA SER A 49 11.091 16.359 13.799 1.00 33.35 C ATOM 753 C SER A 49 11.227 15.105 14.658 1.00 3.20 C ATOM 754 O SER A 49 10.666 14.056 14.338 1.00 64.42 O ATOM 755 CB SER A 49 10.597 17.526 14.655 1.00 31.23 C ATOM 756 OG SER A 49 10.130 18.591 13.845 1.00 51.25 O ATOM 0 H SER A 49 9.195 16.258 12.909 1.00 14.13 H new ATOM 0 HA SER A 49 12.071 16.607 13.391 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.796 17.186 15.311 1.00 31.23 H new ATOM 0 HB3 SER A 49 11.405 17.879 15.295 1.00 31.23 H new ATOM 0 HG SER A 49 9.197 18.426 13.593 1.00 51.25 H new ATOM 762 N HIS A 50 11.976 15.221 15.750 1.00 0.54 N ATOM 763 CA HIS A 50 12.186 14.097 16.656 1.00 22.21 C ATOM 764 C HIS A 50 10.925 13.812 17.468 1.00 65.22 C ATOM 765 O HIS A 50 10.748 12.713 17.991 1.00 14.41 O ATOM 766 CB HIS A 50 13.357 14.384 17.595 1.00 63.12 C ATOM 767 CG HIS A 50 14.672 14.515 16.889 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.333 15.717 16.748 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.449 13.587 16.284 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.460 15.522 16.086 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.553 14.238 15.793 1.00 44.14 N ATOM 0 H HIS A 50 12.447 16.081 16.029 1.00 0.54 H new ATOM 0 HA HIS A 50 12.418 13.217 16.057 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.155 15.304 18.144 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.427 13.583 18.331 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.239 12.531 16.203 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.182 16.283 15.829 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.321 13.801 15.284 1.00 44.14 H new ATOM 779 N ASN A 51 10.053 14.810 17.569 1.00 43.20 N ATOM 780 CA ASN A 51 8.811 14.666 18.319 1.00 41.32 C ATOM 781 C ASN A 51 7.619 14.527 17.375 1.00 42.34 C ATOM 782 O ASN A 51 6.852 13.569 17.468 1.00 61.52 O ATOM 783 CB ASN A 51 8.606 15.869 19.241 1.00 24.42 C ATOM 784 CG ASN A 51 7.236 15.872 19.891 1.00 75.52 C ATOM 785 OD1 ASN A 51 6.650 14.818 20.138 1.00 63.21 O ATOM 786 ND2 ASN A 51 6.717 17.063 20.172 1.00 63.41 N ATOM 0 H ASN A 51 10.184 15.727 17.141 1.00 43.20 H new ATOM 0 HA ASN A 51 8.883 13.761 18.923 1.00 41.32 H new ATOM 0 HB2 ASN A 51 9.373 15.864 20.016 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.736 16.788 18.669 1.00 24.42 H new ATOM 0 HD21 ASN A 51 5.798 17.128 20.610 1.00 63.41 H new ATOM 0 HD22 ASN A 51 7.238 17.911 19.950 1.00 63.41 H new ATOM 793 N ASP A 52 7.474 15.487 16.469 1.00 25.42 N ATOM 794 CA ASP A 52 6.378 15.470 15.508 1.00 63.14 C ATOM 795 C ASP A 52 6.750 16.242 14.246 1.00 70.31 C ATOM 796 O ASP A 52 7.890 16.682 14.088 1.00 74.35 O ATOM 797 CB ASP A 52 5.115 16.067 16.131 1.00 51.42 C ATOM 798 CG ASP A 52 4.702 15.349 17.401 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.283 14.176 17.309 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.796 15.960 18.486 1.00 34.01 O ATOM 0 H ASP A 52 8.101 16.286 16.380 1.00 25.42 H new ATOM 0 HA ASP A 52 6.184 14.433 15.235 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.285 17.121 16.352 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.300 16.020 15.409 1.00 51.42 H new ATOM 805 N PHE A 53 5.783 16.402 13.349 1.00 51.12 N ATOM 806 CA PHE A 53 6.010 17.119 12.100 1.00 12.33 C ATOM 807 C PHE A 53 5.877 18.625 12.305 1.00 22.10 C ATOM 808 O PHE A 53 4.985 19.090 13.014 1.00 32.20 O ATOM 809 CB PHE A 53 5.021 16.649 11.030 1.00 64.40 C ATOM 810 CG PHE A 53 5.278 15.249 10.551 1.00 61.34 C ATOM 811 CD1 PHE A 53 6.193 15.006 9.539 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.602 14.176 11.110 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.431 13.719 9.095 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.837 12.887 10.671 1.00 14.33 C ATOM 815 CZ PHE A 53 5.751 12.658 9.661 1.00 53.35 C ATOM 0 H PHE A 53 4.835 16.045 13.464 1.00 51.12 H new ATOM 0 HA PHE A 53 7.025 16.904 11.766 1.00 12.33 H new ATOM 0 HB2 PHE A 53 4.009 16.707 11.431 1.00 64.40 H new ATOM 0 HB3 PHE A 53 5.067 17.330 10.180 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.726 15.832 9.092 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.884 14.349 11.898 1.00 54.43 H new ATOM 0 HE1 PHE A 53 7.148 13.543 8.307 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.306 12.059 11.117 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.934 11.652 9.314 1.00 53.35 H new ATOM 825 N VAL A 54 6.772 19.382 11.678 1.00 33.42 N ATOM 826 CA VAL A 54 6.755 20.836 11.791 1.00 40.41 C ATOM 827 C VAL A 54 7.090 21.494 10.457 1.00 3.45 C ATOM 828 O VAL A 54 7.933 21.004 9.705 1.00 74.24 O ATOM 829 CB VAL A 54 7.751 21.328 12.858 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.426 20.718 14.213 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.178 21.001 12.446 1.00 4.44 C ATOM 0 H VAL A 54 7.517 19.013 11.087 1.00 33.42 H new ATOM 0 HA VAL A 54 5.746 21.119 12.090 1.00 40.41 H new ATOM 0 HB VAL A 54 7.661 22.411 12.942 1.00 62.34 H new ATOM 0 HG11 VAL A 54 8.140 21.077 14.954 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.418 21.008 14.510 1.00 24.21 H new ATOM 0 HG13 VAL A 54 7.487 19.632 14.147 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.868 21.356 13.211 1.00 4.44 H new ATOM 0 HG22 VAL A 54 9.286 19.922 12.332 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.404 21.490 11.499 1.00 4.44 H new ATOM 841 N ALA A 55 6.426 22.609 10.170 1.00 33.42 N ATOM 842 CA ALA A 55 6.655 23.337 8.928 1.00 64.34 C ATOM 843 C ALA A 55 6.720 24.841 9.177 1.00 43.12 C ATOM 844 O ALA A 55 5.858 25.405 9.850 1.00 20.33 O ATOM 845 CB ALA A 55 5.564 23.014 7.918 1.00 75.11 C ATOM 0 H ALA A 55 5.725 23.028 10.781 1.00 33.42 H new ATOM 0 HA ALA A 55 7.616 23.020 8.522 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.748 23.565 6.995 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.567 21.944 7.709 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.595 23.301 8.325 1.00 75.11 H new ATOM 851 N ILE A 56 7.747 25.481 8.629 1.00 4.32 N ATOM 852 CA ILE A 56 7.924 26.919 8.793 1.00 62.15 C ATOM 853 C ILE A 56 7.618 27.661 7.496 1.00 1.24 C ATOM 854 O ILE A 56 8.396 27.613 6.542 1.00 41.11 O ATOM 855 CB ILE A 56 9.357 27.263 9.241 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.720 26.483 10.507 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.493 28.760 9.478 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.355 25.139 10.228 1.00 22.53 C ATOM 0 H ILE A 56 8.468 25.028 8.068 1.00 4.32 H new ATOM 0 HA ILE A 56 7.224 27.237 9.566 1.00 62.15 H new ATOM 0 HB ILE A 56 10.048 26.976 8.449 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.404 27.081 11.109 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.819 26.334 11.103 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.511 28.987 9.794 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.271 29.296 8.555 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.794 29.070 10.255 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.585 24.643 11.171 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.664 24.523 9.653 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.274 25.282 9.659 1.00 22.53 H new ATOM 870 N LEU A 57 6.482 28.348 7.468 1.00 53.34 N ATOM 871 CA LEU A 57 6.073 29.102 6.288 1.00 41.32 C ATOM 872 C LEU A 57 6.576 30.541 6.361 1.00 4.44 C ATOM 873 O LEU A 57 6.896 31.044 7.438 1.00 25.01 O ATOM 874 CB LEU A 57 4.549 29.090 6.154 1.00 22.14 C ATOM 875 CG LEU A 57 3.882 27.715 6.201 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.387 27.854 6.439 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.151 26.948 4.914 1.00 54.43 C ATOM 0 H LEU A 57 5.827 28.399 8.249 1.00 53.34 H new ATOM 0 HA LEU A 57 6.513 28.626 5.412 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.129 29.703 6.952 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.283 29.568 5.211 1.00 22.14 H new ATOM 0 HG LEU A 57 4.310 27.153 7.031 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.930 26.865 6.469 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.215 28.362 7.388 1.00 62.22 H new ATOM 0 HD13 LEU A 57 1.942 28.435 5.631 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.669 25.972 4.965 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.752 27.506 4.067 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.225 26.816 4.787 1.00 54.43 H new ATOM 889 N ASP A 58 6.643 31.197 5.208 1.00 22.22 N ATOM 890 CA ASP A 58 7.104 32.578 5.139 1.00 23.10 C ATOM 891 C ASP A 58 5.959 33.517 4.776 1.00 53.11 C ATOM 892 O ASP A 58 5.625 33.681 3.602 1.00 71.11 O ATOM 893 CB ASP A 58 8.234 32.712 4.117 1.00 60.34 C ATOM 894 CG ASP A 58 7.870 32.114 2.772 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.947 30.876 2.632 1.00 31.41 O ATOM 896 OD2 ASP A 58 7.507 32.886 1.860 1.00 64.40 O1- ATOM 0 H ASP A 58 6.384 30.794 4.308 1.00 22.22 H new ATOM 0 HA ASP A 58 7.480 32.858 6.123 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.481 33.766 3.988 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.128 32.220 4.501 1.00 60.34 H new ATOM 901 N LEU A 59 5.359 34.131 5.790 1.00 12.41 N ATOM 902 CA LEU A 59 4.249 35.054 5.578 1.00 61.11 C ATOM 903 C LEU A 59 4.602 36.454 6.068 1.00 53.10 C ATOM 904 O LEU A 59 5.438 36.635 6.953 1.00 43.12 O ATOM 905 CB LEU A 59 2.996 34.549 6.297 1.00 61.24 C ATOM 906 CG LEU A 59 2.823 33.032 6.359 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.655 32.664 7.261 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.620 32.462 4.962 1.00 1.12 C ATOM 0 H LEU A 59 5.623 34.006 6.767 1.00 12.41 H new ATOM 0 HA LEU A 59 4.051 35.105 4.507 1.00 61.11 H new ATOM 0 HB2 LEU A 59 3.006 34.935 7.316 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.122 34.974 5.803 1.00 61.24 H new ATOM 0 HG LEU A 59 3.730 32.599 6.779 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.547 31.580 7.293 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.840 33.040 8.267 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.740 33.108 6.870 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.498 31.381 5.024 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.728 32.902 4.515 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.488 32.695 4.345 1.00 1.12 H new ATOM 920 N PRO A 60 3.950 37.468 5.482 1.00 72.34 N ATOM 921 CA PRO A 60 4.177 38.871 5.846 1.00 43.15 C ATOM 922 C PRO A 60 3.645 39.202 7.237 1.00 50.24 C ATOM 923 O PRO A 60 4.381 39.148 8.221 1.00 44.12 O ATOM 924 CB PRO A 60 3.400 39.645 4.778 1.00 2.43 C ATOM 925 CG PRO A 60 2.340 38.701 4.323 1.00 40.55 C ATOM 926 CD PRO A 60 2.940 37.326 4.421 1.00 50.31 C ATOM 0 HA PRO A 60 5.238 39.116 5.882 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.968 40.558 5.187 1.00 2.43 H new ATOM 0 HB3 PRO A 60 4.048 39.940 3.953 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.450 38.784 4.947 1.00 40.55 H new ATOM 0 HG3 PRO A 60 2.034 38.921 3.300 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.190 36.578 4.678 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.389 37.016 3.478 1.00 50.31 H new ATOM 934 N GLU A 61 2.362 39.544 7.309 1.00 62.44 N ATOM 935 CA GLU A 61 1.734 39.884 8.580 1.00 50.50 C ATOM 936 C GLU A 61 0.251 40.193 8.388 1.00 12.05 C ATOM 937 O GLU A 61 -0.115 41.068 7.604 1.00 32.42 O ATOM 938 CB GLU A 61 2.437 41.085 9.217 1.00 73.34 C ATOM 939 CG GLU A 61 1.711 41.642 10.430 1.00 52.41 C ATOM 940 CD GLU A 61 0.660 42.669 10.060 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.817 43.327 9.010 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.321 42.815 10.819 1.00 35.02 O1- ATOM 0 H GLU A 61 1.738 39.593 6.503 1.00 62.44 H new ATOM 0 HA GLU A 61 1.827 39.024 9.243 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.445 40.792 9.510 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.539 41.873 8.471 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.238 40.824 10.973 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.436 42.097 11.105 1.00 52.41 H new ATOM 949 N GLY A 62 -0.597 39.466 9.109 1.00 54.52 N ATOM 950 CA GLY A 62 -2.029 39.676 9.004 1.00 52.00 C ATOM 951 C GLY A 62 -2.817 38.396 9.196 1.00 61.55 C ATOM 952 O GLY A 62 -2.807 37.808 10.277 1.00 51.12 O ATOM 0 H GLY A 62 -0.318 38.735 9.764 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.342 40.407 9.750 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.261 40.099 8.026 1.00 52.00 H new ATOM 956 N GLU A 63 -3.505 37.964 8.142 1.00 53.44 N ATOM 957 CA GLU A 63 -4.304 36.746 8.201 1.00 52.42 C ATOM 958 C GLU A 63 -4.146 35.929 6.922 1.00 71.45 C ATOM 959 O GLU A 63 -4.197 36.499 5.833 1.00 35.41 O ATOM 960 CB GLU A 63 -5.779 37.088 8.421 1.00 13.45 C ATOM 961 CG GLU A 63 -6.711 35.896 8.266 1.00 1.11 C ATOM 962 CD GLU A 63 -8.171 36.274 8.419 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.468 37.193 9.210 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.018 35.650 7.745 1.00 35.44 O ATOM 0 H GLU A 63 -3.524 38.439 7.240 1.00 53.44 H new ATOM 0 HA GLU A 63 -3.947 36.148 9.040 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -5.901 37.506 9.420 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.073 37.863 7.713 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.557 35.444 7.286 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.455 35.140 9.009 1.00 1.11 H new ATOM 971 N HIS A 64 -3.959 34.626 7.079 1.00 3.13 N ATOM 972 CA HIS A 64 -3.795 33.750 5.933 1.00 20.42 C ATOM 973 C HIS A 64 -4.497 32.417 6.201 1.00 42.53 C ATOM 974 O HIS A 64 -4.811 32.063 7.336 1.00 73.42 O ATOM 975 CB HIS A 64 -2.314 33.581 5.586 1.00 3.20 C ATOM 976 CG HIS A 64 -1.498 34.840 5.748 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.032 35.463 6.868 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.074 35.602 4.672 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.360 36.545 6.498 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.385 36.634 5.137 1.00 51.03 N flip ATOM 0 H HIS A 64 -3.918 34.157 7.984 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.265 34.199 5.058 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.890 32.801 6.219 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.230 33.236 4.555 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.176 35.150 7.828 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.271 35.391 3.631 1.00 2.30 H new ATOM 0 HE1 HIS A 64 0.127 37.241 7.165 1.00 4.25 H new ATOM 988 N GLN A 65 -4.740 31.683 5.119 1.00 53.30 N ATOM 989 CA GLN A 65 -5.403 30.388 5.210 1.00 30.02 C ATOM 990 C GLN A 65 -4.411 29.251 4.991 1.00 12.33 C ATOM 991 O GLN A 65 -3.360 29.440 4.377 1.00 60.12 O ATOM 992 CB GLN A 65 -6.534 30.298 4.183 1.00 12.55 C ATOM 993 CG GLN A 65 -7.869 30.806 4.703 1.00 10.33 C ATOM 994 CD GLN A 65 -9.002 29.830 4.456 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.797 28.576 4.843 1.00 5.54 O flip ATOM 996 NE2 GLN A 65 -10.049 30.197 3.923 1.00 52.31 N flip ATOM 0 H GLN A 65 -4.488 31.963 4.171 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.821 30.292 6.212 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.256 30.871 3.298 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.647 29.260 3.869 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.788 30.999 5.773 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.103 31.757 4.224 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -10.164 31.171 3.641 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -10.802 29.528 3.763 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.749 28.071 5.497 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.886 26.904 5.360 1.00 44.05 C ATOM 1007 C TYR A 66 -4.640 25.624 5.711 1.00 74.13 C ATOM 1008 O TYR A 66 -5.811 25.663 6.087 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.655 27.046 6.256 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.933 26.772 7.716 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.708 27.646 8.470 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.421 25.643 8.342 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -3.966 27.400 9.805 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.675 25.390 9.677 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.446 26.271 10.403 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.700 26.024 11.734 1.00 4.23 O ATOM 0 H TYR A 66 -5.615 27.897 6.006 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.565 26.841 4.320 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.882 26.361 5.908 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.257 28.055 6.154 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.115 28.532 8.005 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.814 24.951 7.776 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.571 28.088 10.377 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.271 24.506 10.148 1.00 74.14 H new ATOM 0 HH TYR A 66 -3.402 25.119 11.961 1.00 4.23 H new ATOM 1026 N LYS A 67 -3.959 24.491 5.586 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.559 23.197 5.891 1.00 53.24 C ATOM 1028 C LYS A 67 -3.487 22.130 6.080 1.00 15.33 C ATOM 1029 O LYS A 67 -2.291 22.417 6.008 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.518 22.781 4.774 1.00 51.31 C ATOM 1031 CG LYS A 67 -4.819 22.205 3.555 1.00 50.42 C ATOM 1032 CD LYS A 67 -5.777 22.043 2.387 1.00 54.14 C ATOM 1033 CE LYS A 67 -5.108 22.390 1.066 1.00 21.22 C ATOM 1034 NZ LYS A 67 -4.361 21.233 0.500 1.00 73.50 N1+ ATOM 0 H LYS A 67 -2.989 24.442 5.275 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.116 23.294 6.823 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.218 22.042 5.164 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -6.106 23.647 4.470 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -3.996 22.858 3.264 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -4.384 21.238 3.807 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.141 21.016 2.353 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -6.646 22.684 2.536 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -5.863 22.719 0.352 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -4.424 23.226 1.214 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -3.797 21.549 -0.315 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -3.729 20.839 1.226 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -5.034 20.502 0.193 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.921 20.897 6.318 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.998 19.786 6.516 1.00 43.24 C ATOM 1050 C PHE A 68 -3.264 18.672 5.507 1.00 51.11 C ATOM 1051 O PHE A 68 -4.411 18.394 5.161 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.121 19.240 7.940 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.451 20.100 8.973 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.081 20.299 8.944 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.192 20.711 9.971 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.461 21.091 9.892 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.578 21.504 10.922 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.210 21.693 10.883 1.00 11.45 C ATOM 0 H PHE A 68 -4.907 20.642 6.378 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.984 20.157 6.363 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.177 19.140 8.192 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.688 18.240 7.976 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.490 19.830 8.171 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.262 20.566 10.006 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.608 21.239 9.857 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.167 21.975 11.695 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.728 22.310 11.626 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.193 18.038 5.039 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.310 16.956 4.069 1.00 72.31 C ATOM 1070 C PHE A 69 -1.518 15.733 4.522 1.00 34.23 C ATOM 1071 O PHE A 69 -0.290 15.709 4.442 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.815 17.417 2.697 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.552 16.787 1.550 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.934 16.846 1.482 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.862 16.134 0.541 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.616 16.266 0.428 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.538 15.553 -0.516 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.916 15.618 -0.571 1.00 73.11 C ATOM 0 H PHE A 69 -1.236 18.255 5.316 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.362 16.680 3.995 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.913 18.501 2.630 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.753 17.187 2.607 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.486 17.351 2.261 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.784 16.078 0.581 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.694 16.320 0.386 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.989 15.049 -1.298 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.446 15.163 -1.394 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.232 14.717 4.999 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.598 13.490 5.465 1.00 12.31 C ATOM 1090 C VAL A 70 -2.069 12.286 4.656 1.00 74.44 C ATOM 1091 O VAL A 70 -3.264 12.122 4.405 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.891 13.238 6.955 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.042 12.091 7.480 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.652 14.503 7.767 1.00 33.01 C ATOM 0 H VAL A 70 -3.249 14.720 5.072 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.524 13.618 5.330 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.940 12.960 7.058 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.263 11.928 8.535 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.267 11.185 6.918 1.00 42.23 H new ATOM 0 HG13 VAL A 70 0.014 12.337 7.364 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.864 14.306 8.818 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.613 14.814 7.659 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.308 15.296 7.407 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.123 11.448 4.248 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.442 10.257 3.468 1.00 43.14 C ATOM 1106 C ASP A 71 -2.306 10.612 2.262 1.00 50.35 C ATOM 1107 O ASP A 71 -3.285 9.928 1.964 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.159 9.226 4.340 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.216 8.513 5.289 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.653 9.182 6.182 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -1.041 7.286 5.140 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.130 11.571 4.444 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.507 9.828 3.108 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.941 9.722 4.915 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.650 8.492 3.701 1.00 2.43 H new ATOM 1116 N GLY A 72 -1.940 11.689 1.574 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.694 12.117 0.410 1.00 61.42 C ATOM 1118 C GLY A 72 -4.159 12.347 0.721 1.00 44.45 C ATOM 1119 O GLY A 72 -5.011 12.228 -0.158 1.00 1.33 O ATOM 0 H GLY A 72 -1.135 12.273 1.802 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.260 13.037 0.018 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.606 11.364 -0.373 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.452 12.677 1.975 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.825 12.921 2.399 1.00 43.53 C ATOM 1125 C GLN A 73 -5.962 14.301 3.032 1.00 15.15 C ATOM 1126 O GLN A 73 -4.971 14.915 3.427 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.274 11.845 3.391 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.994 10.677 2.736 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.004 10.023 3.658 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.816 8.888 4.098 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.083 10.737 3.957 1.00 65.41 N ATOM 0 H GLN A 73 -3.757 12.781 2.714 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.464 12.881 1.517 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.402 11.470 3.927 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -6.933 12.298 4.132 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.501 11.026 1.837 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.261 9.934 2.421 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.198 11.674 3.570 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.797 10.349 4.574 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.195 14.785 3.125 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.462 16.094 3.710 1.00 50.15 C ATOM 1142 C TRP A 74 -7.837 15.966 5.183 1.00 34.22 C ATOM 1143 O TRP A 74 -8.696 15.163 5.546 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.582 16.799 2.945 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.295 16.957 1.482 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.266 15.968 0.541 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.993 18.176 0.795 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -7.965 16.499 -0.690 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.794 17.852 -0.562 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.874 19.510 1.192 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.480 18.814 -1.518 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -7.564 20.464 0.242 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -7.371 20.112 -1.101 1.00 51.10 C ATOM 0 H TRP A 74 -8.027 14.290 2.803 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.552 16.689 3.637 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.507 16.235 3.068 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.748 17.783 3.384 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -8.452 14.922 0.736 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -7.882 15.971 -1.559 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -8.022 19.791 2.224 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.328 18.545 -2.553 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -7.469 21.498 0.539 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -7.132 20.881 -1.821 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.188 16.762 6.026 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.455 16.739 7.458 1.00 44.01 C ATOM 1166 C VAL A 75 -7.407 18.144 8.050 1.00 31.52 C ATOM 1167 O VAL A 75 -6.793 19.047 7.482 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.446 15.846 8.203 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.581 14.398 7.755 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.027 16.350 7.986 1.00 31.10 C ATOM 0 H VAL A 75 -6.473 17.431 5.741 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.457 16.328 7.586 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.665 15.893 9.270 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -5.860 13.782 8.292 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.590 14.044 7.967 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.390 14.329 6.684 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.327 15.707 8.520 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.794 16.335 6.921 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.942 17.370 8.361 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.062 18.321 9.194 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.093 19.617 9.863 1.00 74.30 C ATOM 1182 C HIS A 76 -7.603 19.495 11.303 1.00 62.21 C ATOM 1183 O HIS A 76 -7.565 18.401 11.867 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.509 20.192 9.839 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.410 19.607 10.883 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.712 20.032 12.133 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -11.124 18.442 10.694 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.594 19.127 12.669 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.826 18.177 11.781 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.577 17.585 9.676 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.426 20.293 9.327 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.456 21.272 9.980 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.946 20.019 8.855 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.111 17.840 9.797 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.028 19.183 13.656 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.442 17.375 11.912 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.231 20.625 11.893 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.744 20.646 13.268 1.00 33.21 C ATOM 1199 C ASP A 77 -7.850 21.074 14.229 1.00 70.34 C ATOM 1200 O ASP A 77 -8.353 22.196 14.175 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.548 21.591 13.395 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.730 21.327 14.643 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.303 20.169 14.838 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -4.518 22.276 15.426 1.00 41.33 O ATOM 0 H ASP A 77 -7.257 21.539 11.441 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.428 19.636 13.531 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.910 21.485 12.517 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.903 22.621 13.408 1.00 62.43 H new ATOM 1209 N PRO A 78 -8.237 20.159 15.131 1.00 20.45 N ATOM 1210 CA PRO A 78 -9.286 20.418 16.121 1.00 45.12 C ATOM 1211 C PRO A 78 -8.848 21.422 17.182 1.00 52.21 C ATOM 1212 O PRO A 78 -9.669 22.145 17.743 1.00 23.20 O ATOM 1213 CB PRO A 78 -9.527 19.045 16.750 1.00 71.01 C ATOM 1214 CG PRO A 78 -8.245 18.309 16.556 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.678 18.802 15.254 1.00 33.02 C ATOM 0 HA PRO A 78 -10.175 20.856 15.667 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -9.777 19.132 17.807 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -10.357 18.529 16.268 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -7.557 18.501 17.379 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -8.414 17.233 16.526 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.588 18.816 15.270 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.976 18.167 14.420 1.00 33.02 H new ATOM 1223 N SER A 79 -7.546 21.460 17.451 1.00 35.34 N ATOM 1224 CA SER A 79 -6.998 22.373 18.447 1.00 5.14 C ATOM 1225 C SER A 79 -6.923 23.795 17.899 1.00 2.34 C ATOM 1226 O SER A 79 -6.994 24.766 18.652 1.00 53.41 O ATOM 1227 CB SER A 79 -5.607 21.910 18.885 1.00 42.01 C ATOM 1228 OG SER A 79 -4.957 22.905 19.655 1.00 3.14 O ATOM 0 H SER A 79 -6.852 20.869 16.993 1.00 35.34 H new ATOM 0 HA SER A 79 -7.663 22.369 19.310 1.00 5.14 H new ATOM 0 HB2 SER A 79 -5.692 20.993 19.468 1.00 42.01 H new ATOM 0 HB3 SER A 79 -5.006 21.675 18.007 1.00 42.01 H new ATOM 0 HG SER A 79 -4.071 22.584 19.924 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.781 23.908 16.582 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.696 25.210 15.932 1.00 31.11 C ATOM 1236 C GLU A 80 -8.025 25.581 15.280 1.00 4.43 C ATOM 1237 O GLU A 80 -8.883 24.733 15.036 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.582 25.210 14.883 1.00 21.12 C ATOM 1239 CG GLU A 80 -4.260 25.752 15.398 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.084 25.339 14.534 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.147 24.249 13.928 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -2.101 26.106 14.465 1.00 23.05 O ATOM 0 H GLU A 80 -6.722 23.114 15.945 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.466 25.954 16.695 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.432 24.192 14.525 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.900 25.806 14.027 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.310 26.840 15.441 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -4.099 25.399 16.417 1.00 61.25 H new ATOM 1249 N PRO A 81 -8.200 26.879 14.992 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.421 27.393 14.364 1.00 12.23 C ATOM 1251 C PRO A 81 -9.556 26.950 12.911 1.00 54.22 C ATOM 1252 O PRO A 81 -8.617 27.070 12.125 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.251 28.912 14.447 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.777 29.125 14.509 1.00 44.41 C ATOM 1255 CD PRO A 81 -7.220 27.946 15.255 1.00 34.31 C ATOM 0 HA PRO A 81 -10.320 27.024 14.858 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.686 29.407 13.579 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.747 29.318 15.328 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.350 29.191 13.508 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.539 30.058 15.020 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.227 27.676 14.896 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -7.128 28.153 16.321 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.732 26.440 12.559 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.991 25.982 11.200 1.00 44.45 C ATOM 1265 C VAL A 82 -12.060 26.836 10.526 1.00 64.55 C ATOM 1266 O VAL A 82 -12.928 27.401 11.190 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.439 24.508 11.179 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.371 23.617 11.795 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.765 24.344 11.907 1.00 72.14 C ATOM 0 H VAL A 82 -11.521 26.334 13.197 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.054 26.077 10.651 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.579 24.204 10.142 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.705 22.580 11.772 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.445 23.713 11.228 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.197 23.919 12.828 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.066 23.297 11.882 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.654 24.665 12.943 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.526 24.952 11.418 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.989 26.925 9.202 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.952 27.708 8.436 1.00 1.01 C ATOM 1281 C VAL A 83 -13.780 26.816 7.517 1.00 10.44 C ATOM 1282 O VAL A 83 -13.535 25.613 7.415 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.251 28.788 7.590 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.284 29.592 8.446 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.530 28.155 6.409 1.00 11.55 C ATOM 0 H VAL A 83 -11.275 26.465 8.637 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.611 28.192 9.157 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.008 29.469 7.202 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.798 30.350 7.832 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.831 30.076 9.255 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.529 28.926 8.865 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.041 28.932 5.822 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.782 27.451 6.774 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.250 27.628 5.783 1.00 11.55 H new ATOM 1295 N THR A 84 -14.761 27.415 6.848 1.00 44.21 N ATOM 1296 CA THR A 84 -15.625 26.675 5.937 1.00 74.32 C ATOM 1297 C THR A 84 -15.677 27.339 4.566 1.00 53.33 C ATOM 1298 O THR A 84 -16.315 28.378 4.393 1.00 51.12 O ATOM 1299 CB THR A 84 -17.057 26.558 6.493 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.029 26.559 7.924 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.730 25.288 5.994 1.00 25.03 C ATOM 0 H THR A 84 -14.976 28.409 6.920 1.00 44.21 H new ATOM 0 HA THR A 84 -15.198 25.677 5.837 1.00 74.32 H new ATOM 0 HB THR A 84 -17.630 27.416 6.141 1.00 3.04 H new ATOM 0 HG1 THR A 84 -17.943 26.486 8.269 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.740 25.228 6.400 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.777 25.305 4.905 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.156 24.420 6.319 1.00 25.03 H new ATOM 1309 N SER A 85 -15.001 26.734 3.594 1.00 12.31 N ATOM 1310 CA SER A 85 -14.967 27.271 2.239 1.00 62.15 C ATOM 1311 C SER A 85 -16.333 27.147 1.572 1.00 62.25 C ATOM 1312 O SER A 85 -17.215 26.444 2.065 1.00 25.40 O ATOM 1313 CB SER A 85 -13.912 26.540 1.405 1.00 73.20 C ATOM 1314 OG SER A 85 -12.608 27.000 1.715 1.00 45.01 O ATOM 0 H SER A 85 -14.470 25.872 3.720 1.00 12.31 H new ATOM 0 HA SER A 85 -14.705 28.327 2.299 1.00 62.15 H new ATOM 0 HB2 SER A 85 -13.976 25.468 1.590 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.112 26.693 0.345 1.00 73.20 H new ATOM 0 HG SER A 85 -11.952 26.516 1.170 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.500 27.837 0.447 1.00 54.44 N ATOM 1321 CA GLN A 86 -17.759 27.805 -0.287 1.00 2.41 C ATOM 1322 C GLN A 86 -18.069 26.395 -0.778 1.00 50.10 C ATOM 1323 O GLN A 86 -19.230 26.040 -0.988 1.00 4.23 O ATOM 1324 CB GLN A 86 -17.706 28.770 -1.473 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.630 30.232 -1.064 1.00 61.13 C ATOM 1326 CD GLN A 86 -18.772 30.646 -0.158 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -18.578 30.890 1.034 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.975 30.725 -0.717 1.00 50.44 N ATOM 0 H GLN A 86 -15.780 28.424 0.025 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.553 28.116 0.392 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -16.840 28.528 -2.089 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -18.590 28.620 -2.093 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -16.684 30.414 -0.555 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.636 30.856 -1.958 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -20.092 30.514 -1.708 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.782 30.996 -0.155 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.024 25.595 -0.959 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.184 24.222 -1.425 1.00 32.15 C ATOM 1339 C LEU A 87 -17.696 23.321 -0.305 1.00 71.20 C ATOM 1340 O LEU A 87 -18.156 22.208 -0.551 1.00 72.13 O ATOM 1341 CB LEU A 87 -15.853 23.685 -1.957 1.00 52.11 C ATOM 1342 CG LEU A 87 -15.941 22.470 -2.882 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -16.565 22.856 -4.213 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -14.564 21.860 -3.093 1.00 21.21 C ATOM 0 H LEU A 87 -16.057 25.873 -0.790 1.00 53.55 H new ATOM 0 HA LEU A 87 -17.918 24.222 -2.230 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.348 24.489 -2.493 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.223 23.424 -1.106 1.00 52.11 H new ATOM 0 HG LEU A 87 -16.579 21.723 -2.409 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -16.619 21.979 -4.858 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -17.569 23.245 -4.045 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -15.955 23.621 -4.693 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -14.646 20.997 -3.754 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -13.903 22.600 -3.544 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -14.155 21.545 -2.133 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.616 23.815 0.927 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.077 23.044 2.067 1.00 24.33 C ATOM 1358 C GLY A 88 -16.959 22.264 2.730 1.00 1.42 C ATOM 1359 O GLY A 88 -17.210 21.347 3.512 1.00 3.52 O ATOM 0 H GLY A 88 -17.240 24.735 1.156 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.530 23.715 2.797 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -18.856 22.353 1.744 1.00 24.33 H new ATOM 1363 N THR A 89 -15.719 22.628 2.417 1.00 71.55 N ATOM 1364 CA THR A 89 -14.559 21.954 2.986 1.00 55.20 C ATOM 1365 C THR A 89 -14.063 22.674 4.233 1.00 10.24 C ATOM 1366 O THR A 89 -14.099 23.903 4.309 1.00 41.43 O ATOM 1367 CB THR A 89 -13.407 21.863 1.966 1.00 22.31 C ATOM 1368 OG1 THR A 89 -12.872 23.167 1.714 1.00 42.53 O ATOM 1369 CG2 THR A 89 -13.887 21.246 0.662 1.00 71.24 C ATOM 0 H THR A 89 -15.493 23.386 1.773 1.00 71.55 H new ATOM 0 HA THR A 89 -14.878 20.947 3.254 1.00 55.20 H new ATOM 0 HB THR A 89 -12.628 21.226 2.386 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.140 23.101 1.066 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.057 21.192 -0.042 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.267 20.242 0.853 1.00 71.24 H new ATOM 0 HG23 THR A 89 -14.682 21.861 0.240 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.598 21.902 5.211 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.093 22.468 6.455 1.00 62.33 C ATOM 1379 C ILE A 90 -11.591 22.721 6.374 1.00 55.32 C ATOM 1380 O ILE A 90 -10.796 21.785 6.304 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.382 21.543 7.652 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.883 21.270 7.762 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.854 22.160 8.939 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.702 22.505 8.064 1.00 10.43 C ATOM 0 H ILE A 90 -13.561 20.884 5.165 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.611 23.415 6.604 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.870 20.594 7.491 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.233 20.831 6.828 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -15.053 20.531 8.545 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -13.066 21.494 9.775 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.777 22.308 8.857 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.340 23.121 9.108 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.756 22.236 8.128 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.379 22.933 9.013 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.562 23.238 7.269 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.209 23.994 6.385 1.00 75.15 N ATOM 1397 CA ASN A 91 -9.803 24.371 6.315 1.00 52.40 C ATOM 1398 C ASN A 91 -9.339 24.992 7.629 1.00 14.34 C ATOM 1399 O ASN A 91 -10.083 25.024 8.609 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.574 25.354 5.164 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.872 24.739 3.810 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.149 23.544 3.707 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.817 25.555 2.765 1.00 51.12 N ATOM 0 H ASN A 91 -11.854 24.782 6.442 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.219 23.468 6.135 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.205 26.231 5.308 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -8.540 25.698 5.184 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.009 25.198 1.829 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.583 26.539 2.898 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.105 25.486 7.640 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.542 26.106 8.834 1.00 25.44 C ATOM 1412 C ASN A 92 -7.136 27.551 8.556 1.00 42.41 C ATOM 1413 O ASN A 92 -6.639 27.871 7.475 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.330 25.311 9.325 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.606 23.821 9.388 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -7.774 23.457 9.903 1.00 14.31 O flip ATOM 1417 ND2 ASN A 92 -5.777 23.007 8.980 1.00 64.12 N flip ATOM 0 H ASN A 92 -7.477 25.469 6.837 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.308 26.104 9.609 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.485 25.494 8.661 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.041 25.667 10.314 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -4.892 23.332 8.592 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -5.976 22.008 9.030 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.351 28.419 9.538 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.007 29.831 9.400 1.00 13.40 C ATOM 1426 C LEU A 93 -5.887 30.214 10.362 1.00 33.45 C ATOM 1427 O LEU A 93 -5.984 29.984 11.567 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.237 30.702 9.658 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.975 32.200 9.828 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.335 32.775 8.574 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.268 32.933 10.153 1.00 44.50 C ATOM 0 H LEU A 93 -7.762 28.171 10.438 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.658 29.998 8.381 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.933 30.567 8.830 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.735 30.336 10.556 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.284 32.337 10.660 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.156 33.841 8.713 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.388 32.270 8.384 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.002 32.627 7.725 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.063 33.997 10.271 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.982 32.788 9.342 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.686 32.539 11.079 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.826 30.803 9.821 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.689 31.223 10.631 1.00 23.02 C ATOM 1445 C ILE A 94 -3.512 32.737 10.589 1.00 33.42 C ATOM 1446 O ILE A 94 -3.683 33.363 9.542 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.385 30.550 10.162 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.205 31.033 11.007 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.141 30.839 8.688 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.157 29.967 11.246 1.00 55.11 C ATOM 0 H ILE A 94 -4.730 31.000 8.825 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.900 30.914 11.655 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.483 29.472 10.290 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.739 31.885 10.512 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.578 31.387 11.968 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.216 30.357 8.371 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -2.972 30.452 8.099 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.059 31.915 8.537 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.650 30.379 11.852 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.608 29.124 11.768 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.243 29.629 10.290 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.166 33.319 11.732 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.963 34.760 11.826 1.00 3.12 C ATOM 1464 C HIS A 95 -1.507 35.084 12.148 1.00 23.15 C ATOM 1465 O HIS A 95 -0.850 34.359 12.894 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.878 35.357 12.894 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.337 35.191 12.595 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.333 35.583 13.463 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.965 34.672 11.514 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.511 35.310 12.931 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.316 34.757 11.747 1.00 25.13 N ATOM 0 H HIS A 95 -3.020 32.815 12.607 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.210 35.200 10.860 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.657 34.889 13.853 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.656 36.419 12.999 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.184 36.016 14.374 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.492 34.266 10.632 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.470 35.506 13.387 1.00 35.13 H new ATOM 1479 N VAL A 96 -1.009 36.177 11.578 1.00 71.41 N ATOM 1480 CA VAL A 96 0.370 36.597 11.805 1.00 30.12 C ATOM 1481 C VAL A 96 0.431 38.040 12.291 1.00 32.13 C ATOM 1482 O VAL A 96 -0.327 38.895 11.831 1.00 62.43 O ATOM 1483 CB VAL A 96 1.215 36.460 10.524 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.657 36.860 10.793 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.139 35.040 9.985 1.00 60.41 C ATOM 0 H VAL A 96 -1.539 36.787 10.956 1.00 71.41 H new ATOM 0 HA VAL A 96 0.780 35.941 12.573 1.00 30.12 H new ATOM 0 HB VAL A 96 0.810 37.133 9.768 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.240 36.757 9.878 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.690 37.896 11.130 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.076 36.214 11.564 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.742 34.962 9.080 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.518 34.345 10.735 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.103 34.794 9.753 1.00 60.41 H new ATOM 1495 N LYS A 97 1.339 38.307 13.222 1.00 13.43 N ATOM 1496 CA LYS A 97 1.503 39.648 13.771 1.00 32.32 C ATOM 1497 C LYS A 97 2.966 40.080 13.723 1.00 33.23 C ATOM 1498 O LYS A 97 3.869 39.278 13.961 1.00 53.25 O ATOM 1499 CB LYS A 97 0.993 39.698 15.212 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.502 39.457 15.337 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.915 39.253 16.785 1.00 41.45 C ATOM 1502 CE LYS A 97 -2.349 38.756 16.891 1.00 62.22 C ATOM 1503 NZ LYS A 97 -3.325 39.880 16.915 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.974 37.611 13.613 1.00 13.43 H new ATOM 0 HA LYS A 97 0.918 40.337 13.161 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.524 38.951 15.802 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.233 40.671 15.640 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -1.044 40.305 14.919 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.780 38.581 14.751 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -0.244 38.536 17.258 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.813 40.192 17.329 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -2.570 38.101 16.048 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -2.460 38.159 17.796 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -4.290 39.500 16.988 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -3.131 40.491 17.734 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -3.237 40.435 16.040 1.00 53.42 H new ATOM 1517 N LYS A 98 3.191 41.353 13.415 1.00 54.02 N ATOM 1518 CA LYS A 98 4.543 41.894 13.339 1.00 54.22 C ATOM 1519 C LYS A 98 5.216 41.871 14.708 1.00 33.52 C ATOM 1520 O LYS A 98 4.858 42.642 15.598 1.00 54.13 O ATOM 1521 CB LYS A 98 4.512 43.325 12.798 1.00 72.45 C ATOM 1522 CG LYS A 98 5.682 43.655 11.885 1.00 22.24 C ATOM 1523 CD LYS A 98 5.227 44.406 10.645 1.00 61.03 C ATOM 1524 CE LYS A 98 5.112 43.480 9.443 1.00 12.11 C ATOM 1525 NZ LYS A 98 5.462 44.174 8.173 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.454 42.029 13.214 1.00 54.02 H new ATOM 0 HA LYS A 98 5.121 41.268 12.659 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.581 43.478 12.252 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.508 44.022 13.636 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.411 44.256 12.429 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.185 42.734 11.590 1.00 22.24 H new ATOM 0 HD2 LYS A 98 4.263 44.876 10.837 1.00 61.03 H new ATOM 0 HD3 LYS A 98 5.933 45.206 10.423 1.00 61.03 H new ATOM 0 HE2 LYS A 98 5.770 42.622 9.581 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.095 43.094 9.378 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 5.371 43.510 7.378 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 4.818 44.978 8.028 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 6.441 44.520 8.225 1.00 62.45 H new