USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 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 67 LYS NZ :NH3+ 179:sc= 0.122 (180deg=0) USER MOD Set 1.2: A 85 SER OG : rot -143:sc= 1.04 USER MOD Set 1.3: A 89 THR OG1 : rot 90:sc= -0.459 USER MOD Set 1.4: A 91 ASN : amide:sc= -0.471 K(o=0.23,f=-3.1!) USER MOD Single : A 20 THR OG1 : rot -116:sc= -0.703 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.789 USER MOD Single : A 36 SER OG : rot -16:sc= 0.0967 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.518 F(o=-3.1!,f=-0.52) USER MOD Single : A 39 ASN :FLIP amide:sc= 1.15 F(o=-0.11,f=1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.159 (180deg=-0.697) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0187 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=-2) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.817 F(o=-2.2,f=-0.82) USER MOD Single : A 65 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.6!) USER MOD Single : A 66 TYR OH : rot 112:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.515 F(o=-1.4,f=-0.52) 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= -0.15 X(o=-0.15,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -1.92! C(o=-3.7!,f=-1.9!) USER MOD Single : A 95 HIS : no HE2:sc= -1.75 K(o=-1.8,f=-7.2!) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= -0.16 (180deg=-0.767) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.623 38.169 8.839 1.00 33.52 N ATOM 244 CA ARG A 18 7.589 37.301 10.010 1.00 13.22 C ATOM 245 C ARG A 18 7.044 35.922 9.648 1.00 32.13 C ATOM 246 O ARG A 18 5.854 35.749 9.381 1.00 45.04 O ATOM 247 CB ARG A 18 6.734 37.927 11.112 1.00 74.21 C ATOM 248 CG ARG A 18 7.201 37.581 12.517 1.00 51.14 C ATOM 249 CD ARG A 18 6.749 36.188 12.927 1.00 72.54 C ATOM 250 NE ARG A 18 6.945 35.949 14.355 1.00 24.34 N ATOM 251 CZ ARG A 18 8.136 35.750 14.910 1.00 34.35 C ATOM 252 NH1 ARG A 18 9.231 35.765 14.162 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 8.233 35.538 16.216 1.00 44.41 N ATOM 0 HA ARG A 18 8.609 37.185 10.375 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.740 39.010 10.993 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.702 37.598 10.990 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.288 37.641 12.565 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.810 38.314 13.223 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.695 36.061 12.679 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.303 35.444 12.355 1.00 72.54 H new ATOM 0 HE ARG A 18 6.123 35.934 14.959 1.00 24.34 H new ATOM 0 HH11 ARG A 18 9.160 35.930 13.158 1.00 13.44 H new ATOM 0 HH12 ARG A 18 10.144 35.612 14.591 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.393 35.528 16.795 1.00 44.41 H new ATOM 0 HH22 ARG A 18 9.147 35.385 16.641 1.00 44.41 H new ATOM 267 N PRO A 19 7.932 34.917 9.639 1.00 42.30 N ATOM 268 CA PRO A 19 7.563 33.536 9.312 1.00 72.54 C ATOM 269 C PRO A 19 6.701 32.896 10.394 1.00 40.44 C ATOM 270 O PRO A 19 6.742 33.301 11.556 1.00 14.01 O ATOM 271 CB PRO A 19 8.913 32.823 9.210 1.00 10.11 C ATOM 272 CG PRO A 19 9.832 33.626 10.065 1.00 63.22 C ATOM 273 CD PRO A 19 9.366 35.051 9.947 1.00 44.21 C ATOM 0 HA PRO A 19 6.966 33.477 8.402 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.844 31.793 9.561 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.264 32.785 8.179 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.797 33.288 11.101 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.865 33.524 9.731 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.528 35.605 10.872 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.898 35.584 9.159 1.00 44.21 H new ATOM 281 N THR A 20 5.921 31.892 10.006 1.00 65.22 N ATOM 282 CA THR A 20 5.049 31.194 10.943 1.00 1.42 C ATOM 283 C THR A 20 5.239 29.685 10.853 1.00 44.04 C ATOM 284 O THR A 20 5.010 29.081 9.804 1.00 14.52 O ATOM 285 CB THR A 20 3.567 31.530 10.687 1.00 74.14 C ATOM 286 OG1 THR A 20 3.358 32.942 10.802 1.00 14.13 O ATOM 287 CG2 THR A 20 2.669 30.797 11.672 1.00 21.30 C ATOM 0 H THR A 20 5.875 31.544 9.048 1.00 65.22 H new ATOM 0 HA THR A 20 5.324 31.532 11.942 1.00 1.42 H new ATOM 0 HB THR A 20 3.312 31.207 9.678 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.756 33.123 11.554 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.628 31.049 11.472 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.809 29.722 11.562 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.926 31.094 12.689 1.00 21.30 H new ATOM 295 N VAL A 21 5.661 29.078 11.958 1.00 72.24 N ATOM 296 CA VAL A 21 5.880 27.638 12.004 1.00 21.13 C ATOM 297 C VAL A 21 4.681 26.918 12.610 1.00 13.22 C ATOM 298 O VAL A 21 4.280 27.200 13.740 1.00 54.24 O ATOM 299 CB VAL A 21 7.140 27.288 12.818 1.00 64.20 C ATOM 300 CG1 VAL A 21 7.056 27.884 14.215 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.330 25.780 12.883 1.00 62.22 C ATOM 0 H VAL A 21 5.858 29.562 12.834 1.00 72.24 H new ATOM 0 HA VAL A 21 6.017 27.306 10.975 1.00 21.13 H new ATOM 0 HB VAL A 21 8.007 27.719 12.317 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.955 27.626 14.775 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.971 28.968 14.143 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.181 27.485 14.729 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.225 25.551 13.462 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.462 25.324 13.360 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.439 25.383 11.874 1.00 62.22 H new ATOM 311 N ILE A 22 4.111 25.987 11.852 1.00 3.43 N ATOM 312 CA ILE A 22 2.958 25.226 12.315 1.00 12.44 C ATOM 313 C ILE A 22 3.340 23.782 12.625 1.00 32.43 C ATOM 314 O ILE A 22 4.024 23.127 11.836 1.00 24.12 O ATOM 315 CB ILE A 22 1.823 25.233 11.273 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.560 26.657 10.782 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.558 24.628 11.864 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.468 26.745 9.739 1.00 60.50 C ATOM 0 H ILE A 22 4.429 25.742 10.914 1.00 3.43 H new ATOM 0 HA ILE A 22 2.606 25.710 13.226 1.00 12.44 H new ATOM 0 HB ILE A 22 2.129 24.626 10.421 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.289 27.282 11.633 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.481 27.065 10.367 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.235 24.640 11.116 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.754 23.600 12.168 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.247 25.210 12.731 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.336 27.784 9.437 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.745 26.147 8.871 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.465 26.367 10.157 1.00 60.50 H new ATOM 330 N ARG A 23 2.895 23.291 13.776 1.00 11.32 N ATOM 331 CA ARG A 23 3.190 21.925 14.189 1.00 71.41 C ATOM 332 C ARG A 23 2.009 21.002 13.899 1.00 72.25 C ATOM 333 O ARG A 23 0.853 21.410 13.993 1.00 15.13 O ATOM 334 CB ARG A 23 3.529 21.883 15.680 1.00 10.01 C ATOM 335 CG ARG A 23 4.073 20.541 16.143 1.00 51.15 C ATOM 336 CD ARG A 23 3.997 20.401 17.656 1.00 13.14 C ATOM 337 NE ARG A 23 5.300 20.100 18.243 1.00 73.24 N ATOM 338 CZ ARG A 23 6.228 21.018 18.484 1.00 1.22 C ATOM 339 NH1 ARG A 23 5.999 22.291 18.189 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 7.390 20.665 19.020 1.00 60.42 N ATOM 0 H ARG A 23 2.328 23.819 14.440 1.00 11.32 H new ATOM 0 HA ARG A 23 4.050 21.577 13.617 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.263 22.658 15.899 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.634 22.120 16.254 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.508 19.736 15.673 1.00 51.15 H new ATOM 0 HG3 ARG A 23 5.108 20.435 15.818 1.00 51.15 H new ATOM 0 HD2 ARG A 23 3.610 21.324 18.087 1.00 13.14 H new ATOM 0 HD3 ARG A 23 3.292 19.610 17.912 1.00 13.14 H new ATOM 0 HE ARG A 23 5.509 19.130 18.481 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.108 22.566 17.776 1.00 61.23 H new ATOM 0 HH12 ARG A 23 6.714 22.994 18.375 1.00 61.23 H new ATOM 0 HH21 ARG A 23 7.571 19.687 19.247 1.00 60.42 H new ATOM 0 HH22 ARG A 23 8.102 21.372 19.205 1.00 60.42 H new ATOM 354 N TRP A 24 2.312 19.758 13.545 1.00 3.23 N ATOM 355 CA TRP A 24 1.276 18.777 13.240 1.00 15.23 C ATOM 356 C TRP A 24 1.443 17.526 14.094 1.00 63.45 C ATOM 357 O TRP A 24 2.550 17.013 14.251 1.00 54.01 O ATOM 358 CB TRP A 24 1.316 18.407 11.757 1.00 72.25 C ATOM 359 CG TRP A 24 0.421 17.257 11.408 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.807 16.000 11.040 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.011 17.260 11.392 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.299 15.221 10.796 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.426 15.970 11.005 1.00 15.10 C ATOM 364 CE3 TRP A 24 -1.983 18.225 11.667 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.770 15.625 10.888 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.316 17.881 11.551 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.700 16.590 11.165 1.00 33.23 C ATOM 0 H TRP A 24 3.265 19.405 13.462 1.00 3.23 H new ATOM 0 HA TRP A 24 0.309 19.224 13.469 1.00 15.23 H new ATOM 0 HB2 TRP A 24 1.027 19.276 11.165 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.340 18.158 11.479 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.831 15.667 10.953 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.283 14.243 10.506 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.697 19.223 11.965 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.068 14.631 10.589 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.075 18.620 11.761 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.750 16.352 11.085 1.00 33.23 H new ATOM 378 N SER A 25 0.335 17.038 14.646 1.00 32.42 N ATOM 379 CA SER A 25 0.361 15.848 15.488 1.00 61.31 C ATOM 380 C SER A 25 -0.734 14.868 15.076 1.00 1.43 C ATOM 381 O SER A 25 -1.920 15.188 15.133 1.00 0.20 O ATOM 382 CB SER A 25 0.190 16.233 16.958 1.00 74.14 C ATOM 383 OG SER A 25 0.130 15.082 17.783 1.00 11.02 O ATOM 0 H SER A 25 -0.591 17.449 14.525 1.00 32.42 H new ATOM 0 HA SER A 25 1.328 15.362 15.358 1.00 61.31 H new ATOM 0 HB2 SER A 25 1.021 16.865 17.271 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.721 16.820 17.080 1.00 74.14 H new ATOM 0 HG SER A 25 0.022 15.355 18.718 1.00 11.02 H new ATOM 389 N GLU A 26 -0.325 13.672 14.662 1.00 53.04 N ATOM 390 CA GLU A 26 -1.271 12.647 14.239 1.00 60.10 C ATOM 391 C GLU A 26 -0.593 11.281 14.162 1.00 74.23 C ATOM 392 O GLU A 26 -1.097 10.295 14.699 1.00 22.33 O ATOM 393 CB GLU A 26 -1.875 13.006 12.881 1.00 62.15 C ATOM 394 CG GLU A 26 -3.214 12.338 12.614 1.00 12.22 C ATOM 395 CD GLU A 26 -4.223 12.594 13.716 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.492 13.777 14.011 1.00 61.43 O ATOM 397 OE2 GLU A 26 -4.743 11.611 14.284 1.00 23.12 O1- ATOM 0 H GLU A 26 0.654 13.390 14.611 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.069 12.597 14.980 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.000 14.087 12.823 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.174 12.723 12.095 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.615 12.701 11.668 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.065 11.264 12.505 1.00 12.22 H new ATOM 404 N GLY A 27 0.552 11.232 13.487 1.00 15.14 N ATOM 405 CA GLY A 27 1.280 9.984 13.351 1.00 4.13 C ATOM 406 C GLY A 27 1.293 9.475 11.924 1.00 73.25 C ATOM 407 O GLY A 27 1.138 8.278 11.683 1.00 40.05 O ATOM 0 H GLY A 27 0.988 12.034 13.032 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.305 10.126 13.693 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.830 9.231 13.998 1.00 4.13 H new ATOM 411 N GLY A 28 1.476 10.387 10.973 1.00 1.41 N ATOM 412 CA GLY A 28 1.504 10.003 9.573 1.00 61.23 C ATOM 413 C GLY A 28 2.913 9.919 9.022 1.00 31.04 C ATOM 414 O GLY A 28 3.866 10.367 9.661 1.00 11.20 O ATOM 0 H GLY A 28 1.605 11.384 11.147 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.013 9.037 9.455 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.932 10.725 8.990 1.00 61.23 H new ATOM 418 N LYS A 29 3.049 9.340 7.834 1.00 2.02 N ATOM 419 CA LYS A 29 4.352 9.197 7.196 1.00 70.24 C ATOM 420 C LYS A 29 4.665 10.406 6.321 1.00 44.33 C ATOM 421 O LYS A 29 5.741 10.995 6.422 1.00 44.34 O ATOM 422 CB LYS A 29 4.394 7.920 6.355 1.00 33.13 C ATOM 423 CG LYS A 29 3.891 6.690 7.091 1.00 54.20 C ATOM 424 CD LYS A 29 2.434 6.402 6.764 1.00 2.42 C ATOM 425 CE LYS A 29 2.056 4.973 7.123 1.00 32.15 C ATOM 426 NZ LYS A 29 2.032 4.088 5.925 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.271 8.962 7.293 1.00 2.02 H new ATOM 0 HA LYS A 29 5.107 9.133 7.980 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.794 8.066 5.457 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.419 7.744 6.028 1.00 33.13 H new ATOM 0 HG2 LYS A 29 4.502 5.829 6.822 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.002 6.837 8.165 1.00 54.20 H new ATOM 0 HD2 LYS A 29 1.794 7.097 7.307 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.258 6.570 5.702 1.00 2.42 H new ATOM 0 HE2 LYS A 29 2.767 4.581 7.850 1.00 32.15 H new ATOM 0 HE3 LYS A 29 1.076 4.965 7.600 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 1.770 3.123 6.211 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.335 4.447 5.242 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.974 4.075 5.484 1.00 31.05 H new ATOM 440 N GLU A 30 3.717 10.770 5.461 1.00 70.41 N ATOM 441 CA GLU A 30 3.894 11.909 4.568 1.00 31.12 C ATOM 442 C GLU A 30 2.921 13.031 4.920 1.00 62.13 C ATOM 443 O GLU A 30 1.705 12.864 4.831 1.00 50.04 O ATOM 444 CB GLU A 30 3.692 11.481 3.113 1.00 52.54 C ATOM 445 CG GLU A 30 4.409 10.191 2.753 1.00 64.11 C ATOM 446 CD GLU A 30 3.483 8.990 2.750 1.00 64.32 C ATOM 447 OE1 GLU A 30 2.396 9.076 3.358 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 3.844 7.964 2.137 1.00 41.54 O ATOM 0 H GLU A 30 2.821 10.293 5.365 1.00 70.41 H new ATOM 0 HA GLU A 30 4.911 12.281 4.691 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.626 11.359 2.924 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.043 12.277 2.457 1.00 52.54 H new ATOM 0 HG2 GLU A 30 4.865 10.296 1.769 1.00 64.11 H new ATOM 0 HG3 GLU A 30 5.218 10.019 3.463 1.00 64.11 H new ATOM 455 N VAL A 31 3.466 14.175 5.319 1.00 74.14 N ATOM 456 CA VAL A 31 2.648 15.326 5.684 1.00 50.44 C ATOM 457 C VAL A 31 3.037 16.557 4.872 1.00 42.45 C ATOM 458 O VAL A 31 4.214 16.781 4.590 1.00 5.15 O ATOM 459 CB VAL A 31 2.775 15.653 7.183 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.761 16.711 7.587 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.605 14.393 8.019 1.00 3.42 C ATOM 0 H VAL A 31 4.471 14.330 5.398 1.00 74.14 H new ATOM 0 HA VAL A 31 1.614 15.061 5.464 1.00 50.44 H new ATOM 0 HB VAL A 31 3.773 16.052 7.367 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.866 16.929 8.650 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.935 17.620 7.011 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.754 16.344 7.390 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.698 14.642 9.076 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.621 13.963 7.833 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.374 13.670 7.748 1.00 3.42 H new ATOM 471 N PHE A 32 2.040 17.351 4.497 1.00 3.30 N ATOM 472 CA PHE A 32 2.277 18.560 3.717 1.00 33.30 C ATOM 473 C PHE A 32 1.361 19.691 4.173 1.00 0.43 C ATOM 474 O PHE A 32 0.474 19.489 5.004 1.00 64.31 O ATOM 475 CB PHE A 32 2.060 18.282 2.228 1.00 54.22 C ATOM 476 CG PHE A 32 2.791 17.066 1.733 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.086 17.168 1.253 1.00 61.04 C ATOM 478 CD2 PHE A 32 2.181 15.821 1.746 1.00 31.12 C ATOM 479 CE1 PHE A 32 4.761 16.052 0.796 1.00 62.11 C ATOM 480 CE2 PHE A 32 2.852 14.703 1.291 1.00 15.41 C ATOM 481 CZ PHE A 32 4.143 14.817 0.814 1.00 40.11 C ATOM 0 H PHE A 32 1.060 17.179 4.721 1.00 3.30 H new ATOM 0 HA PHE A 32 3.311 18.868 3.876 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.993 18.156 2.042 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.384 19.150 1.653 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.574 18.131 1.236 1.00 61.04 H new ATOM 0 HD2 PHE A 32 1.171 15.725 2.116 1.00 31.12 H new ATOM 0 HE1 PHE A 32 5.771 16.146 0.425 1.00 62.11 H new ATOM 0 HE2 PHE A 32 2.367 13.738 1.308 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.668 13.943 0.456 1.00 40.11 H new ATOM 491 N ILE A 33 1.581 20.881 3.625 1.00 13.34 N ATOM 492 CA ILE A 33 0.774 22.044 3.974 1.00 72.44 C ATOM 493 C ILE A 33 0.570 22.954 2.768 1.00 11.41 C ATOM 494 O ILE A 33 1.487 23.165 1.975 1.00 13.30 O ATOM 495 CB ILE A 33 1.422 22.856 5.112 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.519 24.025 5.511 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.794 23.358 4.690 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.923 24.683 6.811 1.00 0.14 C ATOM 0 H ILE A 33 2.311 21.065 2.937 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.193 21.669 4.310 1.00 72.44 H new ATOM 0 HB ILE A 33 1.546 22.206 5.978 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.531 24.771 4.716 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.507 23.668 5.597 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.239 23.930 5.505 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.434 22.509 4.451 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.694 23.996 3.812 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.239 25.503 7.032 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.883 23.951 7.617 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.938 25.071 6.723 1.00 0.14 H new ATOM 510 N SER A 34 -0.638 23.491 2.637 1.00 74.21 N ATOM 511 CA SER A 34 -0.965 24.378 1.527 1.00 21.11 C ATOM 512 C SER A 34 -2.039 25.383 1.932 1.00 75.54 C ATOM 513 O SER A 34 -2.947 25.064 2.696 1.00 75.43 O ATOM 514 CB SER A 34 -1.439 23.566 0.320 1.00 25.35 C ATOM 515 OG SER A 34 -0.513 22.541 -0.001 1.00 52.43 O ATOM 0 H SER A 34 -1.407 23.327 3.286 1.00 74.21 H new ATOM 0 HA SER A 34 -0.063 24.927 1.255 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.413 23.126 0.533 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.568 24.226 -0.538 1.00 25.35 H new ATOM 0 HG SER A 34 -0.839 22.036 -0.775 1.00 52.43 H new ATOM 521 N GLY A 35 -1.927 26.602 1.411 1.00 54.31 N ATOM 522 CA GLY A 35 -2.894 27.636 1.729 1.00 42.32 C ATOM 523 C GLY A 35 -2.802 28.824 0.791 1.00 45.21 C ATOM 524 O GLY A 35 -2.108 28.769 -0.225 1.00 21.03 O ATOM 0 H GLY A 35 -1.184 26.891 0.775 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.899 27.216 1.682 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.737 27.973 2.754 1.00 42.32 H new ATOM 528 N SER A 36 -3.503 29.900 1.132 1.00 75.24 N ATOM 529 CA SER A 36 -3.501 31.105 0.310 1.00 34.33 C ATOM 530 C SER A 36 -2.101 31.705 0.228 1.00 71.13 C ATOM 531 O SER A 36 -1.812 32.521 -0.648 1.00 4.31 O ATOM 532 CB SER A 36 -4.479 32.136 0.877 1.00 65.34 C ATOM 533 OG SER A 36 -4.502 33.308 0.082 1.00 13.12 O ATOM 0 H SER A 36 -4.079 29.963 1.971 1.00 75.24 H new ATOM 0 HA SER A 36 -3.818 30.830 -0.696 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.479 31.705 0.924 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.193 32.391 1.897 1.00 65.34 H new ATOM 0 HG SER A 36 -3.717 33.321 -0.505 1.00 13.12 H new ATOM 539 N PHE A 37 -1.234 31.296 1.149 1.00 23.10 N ATOM 540 CA PHE A 37 0.136 31.793 1.183 1.00 11.12 C ATOM 541 C PHE A 37 0.953 31.216 0.031 1.00 50.51 C ATOM 542 O PHE A 37 1.968 31.784 -0.370 1.00 73.12 O ATOM 543 CB PHE A 37 0.796 31.441 2.518 1.00 22.03 C ATOM 544 CG PHE A 37 0.885 29.963 2.770 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.928 29.218 2.244 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.075 29.319 3.534 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.013 27.857 2.475 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.004 27.958 3.768 1.00 63.12 C ATOM 549 CZ PHE A 37 1.048 27.227 3.238 1.00 45.15 C ATOM 0 H PHE A 37 -1.456 30.622 1.881 1.00 23.10 H new ATOM 0 HA PHE A 37 0.105 32.877 1.076 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.799 31.867 2.542 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.233 31.906 3.327 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.684 29.706 1.646 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.894 29.886 3.951 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.832 27.288 2.060 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.751 27.468 4.365 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.111 26.164 3.419 1.00 45.15 H new ATOM 559 N ASN A 38 0.502 30.083 -0.497 1.00 22.03 N ATOM 560 CA ASN A 38 1.191 29.428 -1.602 1.00 73.21 C ATOM 561 C ASN A 38 0.276 29.302 -2.816 1.00 65.12 C ATOM 562 O ASN A 38 0.572 28.564 -3.756 1.00 33.34 O ATOM 563 CB ASN A 38 1.683 28.043 -1.174 1.00 74.54 C ATOM 564 CG ASN A 38 2.891 27.587 -1.971 1.00 31.23 C ATOM 565 OD1 ASN A 38 2.645 26.863 -3.057 1.00 32.13 O flip ATOM 566 ND2 ASN A 38 4.032 27.883 -1.613 1.00 70.32 N flip ATOM 0 H ASN A 38 -0.337 29.600 -0.177 1.00 22.03 H new ATOM 0 HA ASN A 38 2.048 30.042 -1.878 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.936 28.062 -0.114 1.00 74.54 H new ATOM 0 HB3 ASN A 38 0.876 27.320 -1.296 1.00 74.54 H new ATOM 0 HD21 ASN A 38 4.174 28.441 -0.771 1.00 70.32 H new ATOM 0 HD22 ASN A 38 4.835 27.570 -2.158 1.00 70.32 H new ATOM 573 N ASN A 39 -0.837 30.028 -2.788 1.00 74.22 N ATOM 574 CA ASN A 39 -1.796 29.998 -3.887 1.00 43.44 C ATOM 575 C ASN A 39 -2.363 28.594 -4.076 1.00 54.22 C ATOM 576 O ASN A 39 -2.912 28.272 -5.130 1.00 61.41 O ATOM 577 CB ASN A 39 -1.135 30.472 -5.182 1.00 4.25 C ATOM 578 CG ASN A 39 -2.114 31.160 -6.113 1.00 33.23 C ATOM 579 OD1 ASN A 39 -1.759 32.356 -6.568 1.00 13.05 O flip ATOM 580 ND2 ASN A 39 -3.179 30.623 -6.419 1.00 32.44 N flip ATOM 0 H ASN A 39 -1.097 30.644 -2.017 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.616 30.672 -3.639 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.323 31.158 -4.942 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.690 29.618 -5.693 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -3.412 29.703 -6.046 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -3.828 31.099 -7.045 1.00 32.44 H new ATOM 587 N TRP A 40 -2.226 27.763 -3.049 1.00 11.01 N ATOM 588 CA TRP A 40 -2.725 26.394 -3.102 1.00 32.51 C ATOM 589 C TRP A 40 -2.228 25.682 -4.355 1.00 23.40 C ATOM 590 O TRP A 40 -2.902 24.800 -4.888 1.00 14.41 O ATOM 591 CB TRP A 40 -4.253 26.384 -3.067 1.00 1.54 C ATOM 592 CG TRP A 40 -4.830 27.276 -2.008 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.974 28.632 -2.069 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.336 26.873 -0.731 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.539 29.098 -0.907 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.772 28.038 -0.070 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.465 25.642 -0.083 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.326 28.005 1.207 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -6.015 25.612 1.184 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.440 26.786 1.818 1.00 71.30 C ATOM 0 H TRP A 40 -1.774 28.013 -2.170 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.346 25.862 -2.230 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.633 26.694 -4.040 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.599 25.364 -2.900 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.686 29.248 -2.908 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.751 30.074 -0.701 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -5.141 24.731 -0.564 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.654 28.909 1.698 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.119 24.666 1.695 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.866 26.728 2.809 1.00 71.30 H new ATOM 611 N SER A 41 -1.045 26.070 -4.821 1.00 74.51 N ATOM 612 CA SER A 41 -0.460 25.469 -6.015 1.00 24.05 C ATOM 613 C SER A 41 0.180 24.124 -5.689 1.00 42.45 C ATOM 614 O SER A 41 -0.303 23.073 -6.111 1.00 72.12 O ATOM 615 CB SER A 41 0.583 26.409 -6.625 1.00 64.43 C ATOM 616 OG SER A 41 0.901 26.025 -7.951 1.00 75.12 O ATOM 0 H SER A 41 -0.473 26.797 -4.391 1.00 74.51 H new ATOM 0 HA SER A 41 -1.259 25.305 -6.738 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.204 27.431 -6.620 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.486 26.401 -6.014 1.00 64.43 H new ATOM 0 HG SER A 41 1.568 26.642 -8.319 1.00 75.12 H new ATOM 622 N THR A 42 1.273 24.164 -4.933 1.00 73.54 N ATOM 623 CA THR A 42 1.982 22.949 -4.549 1.00 45.04 C ATOM 624 C THR A 42 1.794 22.646 -3.068 1.00 34.20 C ATOM 625 O THR A 42 1.248 23.461 -2.321 1.00 34.44 O ATOM 626 CB THR A 42 3.489 23.059 -4.852 1.00 1.10 C ATOM 627 OG1 THR A 42 4.122 21.789 -4.655 1.00 15.30 O ATOM 628 CG2 THR A 42 4.145 24.102 -3.961 1.00 52.41 C ATOM 0 H THR A 42 1.687 25.025 -4.574 1.00 73.54 H new ATOM 0 HA THR A 42 1.558 22.136 -5.139 1.00 45.04 H new ATOM 0 HB THR A 42 3.607 23.366 -5.891 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.079 21.867 -4.851 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.208 24.162 -4.193 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.681 25.073 -4.134 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.017 23.820 -2.916 1.00 52.41 H new ATOM 636 N LYS A 43 2.249 21.472 -2.646 1.00 53.21 N ATOM 637 CA LYS A 43 2.132 21.061 -1.252 1.00 62.12 C ATOM 638 C LYS A 43 3.504 20.997 -0.587 1.00 0.51 C ATOM 639 O LYS A 43 4.280 20.074 -0.833 1.00 42.43 O ATOM 640 CB LYS A 43 1.443 19.698 -1.156 1.00 42.01 C ATOM 641 CG LYS A 43 1.957 18.684 -2.163 1.00 13.53 C ATOM 642 CD LYS A 43 1.722 17.259 -1.690 1.00 24.00 C ATOM 643 CE LYS A 43 0.429 16.692 -2.254 1.00 21.13 C ATOM 644 NZ LYS A 43 0.466 16.599 -3.740 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.703 20.787 -3.250 1.00 53.21 H new ATOM 0 HA LYS A 43 1.528 21.803 -0.730 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.581 19.301 -0.150 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.371 19.831 -1.302 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.460 18.837 -3.121 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.023 18.842 -2.328 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.559 16.631 -1.994 1.00 24.00 H new ATOM 0 HD3 LYS A 43 1.686 17.237 -0.601 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.252 15.703 -1.832 1.00 21.13 H new ATOM 0 HE3 LYS A 43 -0.407 17.322 -1.950 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 -0.141 15.815 -4.054 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.122 17.490 -4.152 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.443 16.427 -4.053 1.00 63.23 H new ATOM 658 N ILE A 44 3.794 21.983 0.255 1.00 50.11 N ATOM 659 CA ILE A 44 5.070 22.035 0.958 1.00 75.21 C ATOM 660 C ILE A 44 5.196 20.891 1.958 1.00 20.24 C ATOM 661 O ILE A 44 4.291 20.624 2.749 1.00 14.21 O ATOM 662 CB ILE A 44 5.250 23.373 1.699 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.673 24.471 0.720 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.274 23.227 2.814 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.098 25.830 1.051 1.00 74.32 C ATOM 0 H ILE A 44 3.163 22.756 0.467 1.00 50.11 H new ATOM 0 HA ILE A 44 5.850 21.939 0.202 1.00 75.21 H new ATOM 0 HB ILE A 44 4.296 23.657 2.143 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.761 24.538 0.710 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.362 24.189 -0.286 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.390 24.181 3.328 1.00 1.53 H new ATOM 0 HG22 ILE A 44 5.935 22.471 3.523 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.232 22.924 2.391 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.440 26.559 0.316 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.009 25.779 1.032 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.430 26.134 2.044 1.00 74.32 H new ATOM 677 N PRO A 45 6.345 20.201 1.926 1.00 42.30 N ATOM 678 CA PRO A 45 6.618 19.076 2.826 1.00 74.53 C ATOM 679 C PRO A 45 6.812 19.523 4.271 1.00 40.33 C ATOM 680 O PRO A 45 7.581 20.445 4.548 1.00 40.12 O ATOM 681 CB PRO A 45 7.915 18.484 2.270 1.00 11.42 C ATOM 682 CG PRO A 45 8.578 19.617 1.566 1.00 55.22 C ATOM 683 CD PRO A 45 7.467 20.466 1.011 1.00 3.34 C ATOM 0 HA PRO A 45 5.789 18.368 2.857 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.545 18.091 3.068 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.713 17.658 1.588 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.203 20.190 2.251 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.228 19.255 0.769 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.736 21.522 1.000 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.223 20.189 -0.015 1.00 3.34 H new ATOM 691 N LEU A 46 6.112 18.865 5.188 1.00 54.51 N ATOM 692 CA LEU A 46 6.208 19.195 6.606 1.00 11.22 C ATOM 693 C LEU A 46 7.438 18.547 7.233 1.00 63.13 C ATOM 694 O LEU A 46 7.489 17.329 7.407 1.00 34.03 O ATOM 695 CB LEU A 46 4.946 18.741 7.342 1.00 1.32 C ATOM 696 CG LEU A 46 4.142 19.841 8.036 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.427 20.707 7.011 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.145 19.236 9.014 1.00 1.43 C ATOM 0 H LEU A 46 5.472 18.100 4.975 1.00 54.51 H new ATOM 0 HA LEU A 46 6.304 20.277 6.697 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.294 18.238 6.628 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.232 18.001 8.089 1.00 1.32 H new ATOM 0 HG LEU A 46 4.833 20.472 8.595 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.860 21.484 7.523 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.160 21.169 6.350 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.747 20.090 6.424 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.581 20.033 9.499 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.459 18.582 8.476 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.680 18.659 9.768 1.00 1.43 H new ATOM 710 N ILE A 47 8.425 19.368 7.573 1.00 41.44 N ATOM 711 CA ILE A 47 9.653 18.875 8.185 1.00 1.41 C ATOM 712 C ILE A 47 9.352 18.046 9.429 1.00 65.02 C ATOM 713 O ILE A 47 8.874 18.568 10.436 1.00 61.11 O ATOM 714 CB ILE A 47 10.595 20.031 8.568 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.851 20.932 7.357 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.906 19.487 9.116 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.425 20.196 6.167 1.00 52.21 C ATOM 0 H ILE A 47 8.399 20.378 7.435 1.00 41.44 H new ATOM 0 HA ILE A 47 10.146 18.247 7.443 1.00 1.41 H new ATOM 0 HB ILE A 47 10.117 20.626 9.346 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.915 21.407 7.063 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.536 21.729 7.646 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.561 20.316 9.382 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.708 18.883 10.001 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.390 18.871 8.358 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.581 20.896 5.346 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.377 19.744 6.444 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.731 19.417 5.852 1.00 52.21 H new ATOM 729 N LYS A 48 9.639 16.750 9.353 1.00 55.44 N ATOM 730 CA LYS A 48 9.403 15.847 10.473 1.00 2.01 C ATOM 731 C LYS A 48 10.469 16.025 11.548 1.00 4.04 C ATOM 732 O LYS A 48 11.658 15.828 11.296 1.00 74.51 O ATOM 733 CB LYS A 48 9.388 14.395 9.989 1.00 32.12 C ATOM 734 CG LYS A 48 8.762 13.430 10.982 1.00 21.33 C ATOM 735 CD LYS A 48 8.751 12.008 10.446 1.00 65.24 C ATOM 736 CE LYS A 48 8.365 11.009 11.526 1.00 55.25 C ATOM 737 NZ LYS A 48 9.517 10.672 12.407 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.036 16.302 8.527 1.00 55.44 H new ATOM 0 HA LYS A 48 8.432 16.089 10.905 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.841 14.340 9.048 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.411 14.079 9.783 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.316 13.462 11.920 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.742 13.745 11.203 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.049 11.937 9.615 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.737 11.758 10.053 1.00 65.24 H new ATOM 0 HE2 LYS A 48 7.555 11.420 12.129 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.986 10.099 11.060 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 9.213 9.989 13.130 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.280 10.256 11.836 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.863 11.536 12.871 1.00 34.55 H new ATOM 751 N SER A 49 10.037 16.397 12.749 1.00 14.13 N ATOM 752 CA SER A 49 10.955 16.602 13.863 1.00 33.35 C ATOM 753 C SER A 49 11.090 15.332 14.698 1.00 3.20 C ATOM 754 O SER A 49 10.518 14.293 14.365 1.00 64.42 O ATOM 755 CB SER A 49 10.472 17.757 14.743 1.00 31.23 C ATOM 756 OG SER A 49 11.556 18.370 15.420 1.00 51.25 O ATOM 0 H SER A 49 9.056 16.563 12.975 1.00 14.13 H new ATOM 0 HA SER A 49 11.934 16.851 13.454 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.958 18.496 14.129 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.748 17.387 15.469 1.00 31.23 H new ATOM 0 HG SER A 49 11.222 19.106 15.974 1.00 51.25 H new ATOM 762 N HIS A 50 11.850 15.424 15.785 1.00 0.54 N ATOM 763 CA HIS A 50 12.060 14.283 16.669 1.00 22.21 C ATOM 764 C HIS A 50 10.807 13.994 17.490 1.00 65.22 C ATOM 765 O HIS A 50 10.597 12.871 17.945 1.00 14.41 O ATOM 766 CB HIS A 50 13.245 14.545 17.600 1.00 63.12 C ATOM 767 CG HIS A 50 14.577 14.385 16.933 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.314 15.451 16.461 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.304 13.277 16.662 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.437 15.005 15.927 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.455 13.688 16.037 1.00 44.14 N ATOM 0 H HIS A 50 12.330 16.276 16.074 1.00 0.54 H new ATOM 0 HA HIS A 50 12.277 13.411 16.052 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.167 15.556 17.999 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.188 13.863 18.448 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.030 12.258 16.894 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.208 15.613 15.477 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.203 13.076 15.710 1.00 44.14 H new ATOM 779 N ASN A 51 9.978 15.018 17.676 1.00 43.20 N ATOM 780 CA ASN A 51 8.747 14.873 18.444 1.00 41.32 C ATOM 781 C ASN A 51 7.543 14.725 17.518 1.00 42.34 C ATOM 782 O ASN A 51 6.776 13.769 17.629 1.00 61.52 O ATOM 783 CB ASN A 51 8.551 16.079 19.365 1.00 24.42 C ATOM 784 CG ASN A 51 7.202 16.065 20.057 1.00 75.52 C ATOM 785 OD1 ASN A 51 6.615 15.005 20.276 1.00 63.21 O ATOM 786 ND2 ASN A 51 6.703 17.245 20.404 1.00 63.41 N ATOM 0 H ASN A 51 10.137 15.955 17.306 1.00 43.20 H new ATOM 0 HA ASN A 51 8.830 13.971 19.050 1.00 41.32 H new ATOM 0 HB2 ASN A 51 9.341 16.092 20.116 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.649 16.996 18.784 1.00 24.42 H new ATOM 0 HD21 ASN A 51 5.798 17.298 20.872 1.00 63.41 H new ATOM 0 HD22 ASN A 51 7.224 18.098 20.203 1.00 63.41 H new ATOM 793 N ASP A 52 7.385 15.678 16.606 1.00 25.42 N ATOM 794 CA ASP A 52 6.276 15.653 15.659 1.00 63.14 C ATOM 795 C ASP A 52 6.633 16.410 14.384 1.00 70.31 C ATOM 796 O ASP A 52 7.763 16.869 14.218 1.00 74.35 O ATOM 797 CB ASP A 52 5.023 16.260 16.293 1.00 51.42 C ATOM 798 CG ASP A 52 4.650 15.585 17.598 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.252 14.402 17.562 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.755 16.240 18.657 1.00 34.01 O ATOM 0 H ASP A 52 8.010 16.477 16.502 1.00 25.42 H new ATOM 0 HA ASP A 52 6.076 14.614 15.399 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.188 17.323 16.471 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.190 16.179 15.594 1.00 51.42 H new ATOM 805 N PHE A 53 5.663 16.535 13.485 1.00 51.12 N ATOM 806 CA PHE A 53 5.876 17.235 12.223 1.00 12.33 C ATOM 807 C PHE A 53 5.793 18.746 12.418 1.00 22.10 C ATOM 808 O PHE A 53 5.043 19.234 13.263 1.00 32.20 O ATOM 809 CB PHE A 53 4.843 16.786 11.187 1.00 64.40 C ATOM 810 CG PHE A 53 5.088 15.403 10.657 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.955 15.196 9.596 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.452 14.308 11.219 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.184 13.924 9.106 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.677 13.033 10.735 1.00 14.33 C ATOM 815 CZ PHE A 53 5.542 12.841 9.676 1.00 53.35 C ATOM 0 H PHE A 53 4.722 16.161 13.606 1.00 51.12 H new ATOM 0 HA PHE A 53 6.874 16.987 11.863 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.850 16.824 11.635 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.844 17.491 10.355 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.458 16.039 9.146 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.772 14.452 12.046 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.863 13.777 8.279 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.177 12.188 11.185 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.717 11.846 9.294 1.00 53.35 H new ATOM 825 N VAL A 54 6.571 19.482 11.631 1.00 33.42 N ATOM 826 CA VAL A 54 6.587 20.938 11.715 1.00 40.41 C ATOM 827 C VAL A 54 6.974 21.561 10.379 1.00 3.45 C ATOM 828 O VAL A 54 7.841 21.049 9.671 1.00 74.24 O ATOM 829 CB VAL A 54 7.565 21.426 12.801 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.000 21.160 14.188 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.923 20.760 12.632 1.00 4.44 C ATOM 0 H VAL A 54 7.199 19.094 10.927 1.00 33.42 H new ATOM 0 HA VAL A 54 5.577 21.252 11.979 1.00 40.41 H new ATOM 0 HB VAL A 54 7.697 22.502 12.690 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.705 21.511 14.942 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.053 21.688 14.303 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.837 20.090 14.315 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.602 21.116 13.407 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.811 19.679 12.716 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.330 21.007 11.652 1.00 4.44 H new ATOM 841 N ALA A 55 6.326 22.670 10.041 1.00 33.42 N ATOM 842 CA ALA A 55 6.603 23.366 8.791 1.00 64.34 C ATOM 843 C ALA A 55 6.702 24.872 9.011 1.00 43.12 C ATOM 844 O ALA A 55 5.783 25.492 9.547 1.00 20.33 O ATOM 845 CB ALA A 55 5.529 23.052 7.760 1.00 75.11 C ATOM 0 H ALA A 55 5.605 23.106 10.616 1.00 33.42 H new ATOM 0 HA ALA A 55 7.564 23.015 8.416 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.750 23.579 6.832 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.508 21.979 7.571 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.558 23.373 8.137 1.00 75.11 H new ATOM 851 N ILE A 56 7.821 25.454 8.594 1.00 4.32 N ATOM 852 CA ILE A 56 8.039 26.887 8.746 1.00 62.15 C ATOM 853 C ILE A 56 7.648 27.640 7.479 1.00 1.24 C ATOM 854 O ILE A 56 8.346 27.578 6.466 1.00 41.11 O ATOM 855 CB ILE A 56 9.508 27.201 9.083 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.931 26.467 10.356 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.707 28.702 9.239 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.615 25.144 10.092 1.00 22.53 C ATOM 0 H ILE A 56 8.591 24.955 8.148 1.00 4.32 H new ATOM 0 HA ILE A 56 7.407 27.216 9.571 1.00 62.15 H new ATOM 0 HB ILE A 56 10.135 26.854 8.262 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.603 27.107 10.928 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.051 26.295 10.976 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.751 28.908 9.477 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.442 29.203 8.308 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.072 29.072 10.044 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.887 24.680 11.040 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.938 24.487 9.547 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.514 25.311 9.499 1.00 22.53 H new ATOM 870 N LEU A 57 6.527 28.352 7.542 1.00 53.34 N ATOM 871 CA LEU A 57 6.043 29.119 6.400 1.00 41.32 C ATOM 872 C LEU A 57 6.576 30.548 6.438 1.00 4.44 C ATOM 873 O LEU A 57 7.158 30.978 7.435 1.00 25.01 O ATOM 874 CB LEU A 57 4.514 29.134 6.382 1.00 22.14 C ATOM 875 CG LEU A 57 3.833 27.794 6.102 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.322 27.928 6.217 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.220 27.275 4.725 1.00 54.43 C ATOM 0 H LEU A 57 5.937 28.414 8.372 1.00 53.34 H new ATOM 0 HA LEU A 57 6.407 28.639 5.491 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.163 29.503 7.346 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.186 29.850 5.628 1.00 22.14 H new ATOM 0 HG LEU A 57 4.172 27.075 6.848 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.855 26.964 6.014 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.061 28.253 7.224 1.00 62.22 H new ATOM 0 HD13 LEU A 57 1.966 28.663 5.495 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.726 26.321 4.544 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.912 27.993 3.965 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.300 27.139 4.678 1.00 54.43 H new ATOM 889 N ASP A 58 6.372 31.279 5.348 1.00 22.22 N ATOM 890 CA ASP A 58 6.828 32.661 5.258 1.00 23.10 C ATOM 891 C ASP A 58 5.681 33.590 4.874 1.00 53.11 C ATOM 892 O ASP A 58 5.265 33.634 3.715 1.00 71.11 O ATOM 893 CB ASP A 58 7.961 32.781 4.237 1.00 60.34 C ATOM 894 CG ASP A 58 9.320 32.489 4.842 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.936 33.425 5.395 1.00 31.41 O ATOM 896 OD2 ASP A 58 9.766 31.326 4.764 1.00 64.40 O1- ATOM 0 H ASP A 58 5.894 30.938 4.514 1.00 22.22 H new ATOM 0 HA ASP A 58 7.199 32.959 6.239 1.00 23.10 H new ATOM 0 HB2 ASP A 58 7.778 32.091 3.413 1.00 60.34 H new ATOM 0 HB3 ASP A 58 7.962 33.787 3.817 1.00 60.34 H new ATOM 901 N LEU A 59 5.172 34.329 5.853 1.00 12.41 N ATOM 902 CA LEU A 59 4.070 35.256 5.619 1.00 61.11 C ATOM 903 C LEU A 59 4.395 36.639 6.174 1.00 53.10 C ATOM 904 O LEU A 59 5.192 36.791 7.099 1.00 43.12 O ATOM 905 CB LEU A 59 2.786 34.725 6.259 1.00 61.24 C ATOM 906 CG LEU A 59 2.635 33.205 6.299 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.383 32.813 7.069 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.595 32.635 4.889 1.00 1.12 C ATOM 0 H LEU A 59 5.505 34.305 6.817 1.00 12.41 H new ATOM 0 HA LEU A 59 3.923 35.343 4.542 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.730 35.103 7.280 1.00 61.24 H new ATOM 0 HB3 LEU A 59 1.936 35.140 5.718 1.00 61.24 H new ATOM 0 HG LEU A 59 3.500 32.787 6.814 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.292 31.727 7.087 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.451 33.188 8.090 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.507 33.242 6.582 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.487 31.551 4.938 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.749 33.060 4.349 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.520 32.885 4.369 1.00 1.12 H new ATOM 920 N PRO A 60 3.762 37.672 5.597 1.00 72.34 N ATOM 921 CA PRO A 60 3.966 39.061 6.021 1.00 43.15 C ATOM 922 C PRO A 60 3.374 39.340 7.398 1.00 50.24 C ATOM 923 O PRO A 60 4.064 39.236 8.411 1.00 44.12 O ATOM 924 CB PRO A 60 3.231 39.869 4.949 1.00 2.43 C ATOM 925 CG PRO A 60 2.197 38.939 4.416 1.00 40.55 C ATOM 926 CD PRO A 60 2.799 37.563 4.489 1.00 50.31 C ATOM 0 HA PRO A 60 5.024 39.309 6.112 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.777 40.766 5.371 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.912 40.196 4.163 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.281 38.996 5.004 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.933 39.195 3.390 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.043 36.803 4.687 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.290 37.289 3.555 1.00 50.31 H new ATOM 934 N GLU A 61 2.092 39.694 7.426 1.00 62.44 N ATOM 935 CA GLU A 61 1.410 39.987 8.680 1.00 50.50 C ATOM 936 C GLU A 61 -0.076 40.241 8.443 1.00 12.05 C ATOM 937 O GLU A 61 -0.452 41.062 7.608 1.00 32.42 O ATOM 938 CB GLU A 61 2.044 41.203 9.359 1.00 73.34 C ATOM 939 CG GLU A 61 1.744 41.294 10.846 1.00 52.41 C ATOM 940 CD GLU A 61 0.411 41.957 11.133 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.069 42.930 10.429 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.292 41.501 12.059 1.00 35.02 O1- ATOM 0 H GLU A 61 1.507 39.784 6.596 1.00 62.44 H new ATOM 0 HA GLU A 61 1.514 39.120 9.333 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.124 41.167 9.216 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.688 42.109 8.869 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.747 40.292 11.275 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.538 41.855 11.339 1.00 52.41 H new ATOM 949 N GLY A 62 -0.918 39.528 9.187 1.00 54.52 N ATOM 950 CA GLY A 62 -2.353 39.689 9.043 1.00 52.00 C ATOM 951 C GLY A 62 -3.102 38.381 9.201 1.00 61.55 C ATOM 952 O GLY A 62 -3.107 37.789 10.279 1.00 51.12 O ATOM 0 H GLY A 62 -0.631 38.843 9.886 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.712 40.402 9.786 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.571 40.113 8.063 1.00 52.00 H new ATOM 956 N GLU A 63 -3.738 37.931 8.123 1.00 53.44 N ATOM 957 CA GLU A 63 -4.496 36.686 8.149 1.00 52.42 C ATOM 958 C GLU A 63 -4.250 35.873 6.881 1.00 71.45 C ATOM 959 O GLU A 63 -4.272 36.439 5.789 1.00 35.41 O ATOM 960 CB GLU A 63 -5.990 36.975 8.302 1.00 13.45 C ATOM 961 CG GLU A 63 -6.879 35.804 7.919 1.00 1.11 C ATOM 962 CD GLU A 63 -8.230 35.848 8.607 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.301 36.366 9.741 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.215 35.364 8.012 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.743 38.410 7.222 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.158 36.102 9.005 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.194 37.252 9.336 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.250 37.835 7.685 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -7.025 35.802 6.839 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.376 34.872 8.174 1.00 1.11 H new ATOM 971 N HIS A 64 -4.024 34.578 7.052 1.00 3.13 N ATOM 972 CA HIS A 64 -3.777 33.706 5.915 1.00 20.42 C ATOM 973 C HIS A 64 -4.426 32.344 6.164 1.00 42.53 C ATOM 974 O HIS A 64 -4.562 31.884 7.298 1.00 73.42 O ATOM 975 CB HIS A 64 -2.278 33.605 5.625 1.00 3.20 C ATOM 976 CG HIS A 64 -1.533 34.910 5.776 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.109 35.569 6.892 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.147 35.682 4.695 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.496 36.684 6.513 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.519 36.757 5.151 1.00 51.03 N flip ATOM 0 H HIS A 64 -4.007 34.112 7.959 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.234 34.129 5.020 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.838 32.868 6.296 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.139 33.235 4.609 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.240 35.258 7.855 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.327 35.449 3.656 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.052 37.413 7.174 1.00 4.25 H new ATOM 988 N GLN A 65 -4.827 31.704 5.070 1.00 53.30 N ATOM 989 CA GLN A 65 -5.464 30.396 5.141 1.00 30.02 C ATOM 990 C GLN A 65 -4.449 29.282 4.907 1.00 12.33 C ATOM 991 O GLN A 65 -3.399 29.502 4.305 1.00 60.12 O ATOM 992 CB GLN A 65 -6.593 30.298 4.113 1.00 12.55 C ATOM 993 CG GLN A 65 -7.812 31.134 4.466 1.00 10.33 C ATOM 994 CD GLN A 65 -8.928 30.309 5.076 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.096 30.463 4.718 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.575 29.426 6.003 1.00 52.31 N ATOM 0 H GLN A 65 -4.722 32.071 4.124 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.881 30.278 6.141 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.216 30.614 3.140 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.894 29.255 4.015 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.520 31.918 5.165 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.181 31.629 3.568 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -7.595 29.331 6.270 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.284 28.843 6.448 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.770 28.085 5.387 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.885 26.937 5.233 1.00 44.05 C ATOM 1007 C TYR A 66 -4.616 25.637 5.553 1.00 74.13 C ATOM 1008 O TYR A 66 -5.702 25.648 6.133 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.662 27.084 6.141 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.943 26.764 7.591 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.789 27.564 8.348 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.362 25.661 8.204 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -4.048 27.275 9.675 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.616 25.364 9.529 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.460 26.174 10.260 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.715 25.882 11.581 1.00 4.23 O ATOM 0 H TYR A 66 -5.637 27.885 5.886 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.557 26.901 4.194 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.871 26.427 5.780 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.287 28.105 6.069 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.252 28.427 7.892 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.700 25.025 7.635 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.707 27.908 10.250 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.156 24.502 9.990 1.00 74.14 H new ATOM 0 HH TYR A 66 -4.233 25.052 11.638 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.014 24.517 5.171 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.604 23.208 5.417 1.00 53.24 C ATOM 1028 C LYS A 67 -3.524 22.140 5.558 1.00 15.33 C ATOM 1029 O LYS A 67 -2.358 22.376 5.236 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.559 22.833 4.281 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.590 21.788 4.671 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.683 21.664 3.622 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.713 20.617 4.014 1.00 21.22 C ATOM 1034 NZ LYS A 67 -9.803 20.507 3.005 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.116 24.490 4.689 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.162 23.261 6.352 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.075 23.731 3.941 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -4.978 22.460 3.438 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -6.100 20.823 4.803 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.034 22.054 5.630 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -8.174 22.628 3.491 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.240 21.399 2.662 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -8.223 19.650 4.126 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -9.140 20.873 4.984 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -10.476 19.771 3.300 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -10.298 21.418 2.928 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -9.397 20.255 2.081 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.916 20.966 6.040 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.981 19.862 6.223 1.00 43.24 C ATOM 1050 C PHE A 68 -3.256 18.744 5.222 1.00 51.11 C ATOM 1051 O PHE A 68 -4.399 18.524 4.820 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.073 19.320 7.650 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.347 20.162 8.660 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -0.992 20.418 8.524 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.020 20.699 9.746 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.322 21.192 9.452 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.355 21.474 10.677 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.005 21.722 10.529 1.00 11.45 C ATOM 0 H PHE A 68 -4.876 20.754 6.311 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.973 20.239 6.050 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.122 19.248 7.936 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.667 18.309 7.673 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.453 20.008 7.683 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.076 20.510 9.866 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.735 21.382 9.335 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -2.891 21.885 11.520 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.484 22.329 11.254 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.202 18.040 4.825 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.328 16.945 3.871 1.00 72.31 C ATOM 1070 C PHE A 69 -1.529 15.728 4.329 1.00 34.23 C ATOM 1071 O PHE A 69 -0.302 15.706 4.235 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.852 17.390 2.486 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.543 16.679 1.357 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.926 16.657 1.279 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.810 16.034 0.376 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.565 16.003 0.242 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -2.442 15.378 -0.664 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.822 15.363 -0.731 1.00 73.11 C ATOM 0 H PHE A 69 -1.250 18.208 5.150 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.380 16.666 3.814 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -2.014 18.463 2.382 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.778 17.221 2.408 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.512 17.156 2.037 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.731 16.043 0.424 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.644 15.992 0.193 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.858 14.878 -1.423 1.00 54.41 H new ATOM 0 HZ PHE A 69 -4.319 14.852 -1.542 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.235 14.718 4.827 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.593 13.498 5.301 1.00 12.31 C ATOM 1090 C VAL A 70 -2.140 12.273 4.576 1.00 74.44 C ATOM 1091 O VAL A 70 -3.352 12.107 4.443 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.788 13.313 6.818 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -0.963 12.140 7.322 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.424 14.589 7.560 1.00 33.01 C ATOM 0 H VAL A 70 -3.251 14.721 4.913 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.528 13.598 5.089 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.839 13.096 7.009 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.113 12.024 8.395 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.276 11.229 6.812 1.00 42.23 H new ATOM 0 HG13 VAL A 70 0.092 12.324 7.121 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.567 14.441 8.630 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.381 14.839 7.365 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.062 15.404 7.218 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.237 11.418 4.109 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.629 10.205 3.399 1.00 43.14 C ATOM 1106 C ASP A 71 -2.595 10.529 2.264 1.00 50.35 C ATOM 1107 O ASP A 71 -3.602 9.846 2.079 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.271 9.208 4.364 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.096 7.771 3.913 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.980 7.233 4.065 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -3.076 7.185 3.407 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.229 11.542 4.209 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.732 9.757 2.972 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -1.832 9.331 5.354 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.334 9.430 4.457 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.281 11.576 1.507 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.133 11.973 0.400 1.00 61.42 C ATOM 1118 C GLY A 72 -4.561 12.235 0.833 1.00 44.45 C ATOM 1119 O GLY A 72 -5.485 12.159 0.023 1.00 1.33 O ATOM 0 H GLY A 72 -1.453 12.156 1.640 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.726 12.872 -0.063 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.124 11.191 -0.360 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.744 12.543 2.112 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.071 12.815 2.652 1.00 43.53 C ATOM 1125 C GLN A 73 -6.137 14.213 3.256 1.00 15.15 C ATOM 1126 O GLN A 73 -5.109 14.844 3.500 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.439 11.772 3.708 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.174 10.567 3.144 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.056 9.887 4.173 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.822 8.737 4.546 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.078 10.596 4.638 1.00 65.41 N ATOM 0 H GLN A 73 -3.989 12.611 2.795 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.787 12.759 1.832 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.529 11.433 4.204 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.061 12.242 4.470 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.785 10.882 2.298 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.448 9.849 2.762 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.235 11.546 4.301 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.706 10.191 5.332 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.353 14.692 3.493 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.554 16.017 4.070 1.00 50.15 C ATOM 1142 C TRP A 74 -7.915 15.920 5.548 1.00 34.22 C ATOM 1143 O TRP A 74 -8.826 15.184 5.927 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.652 16.765 3.312 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.402 16.851 1.836 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.831 15.976 0.880 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.664 17.868 1.150 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.404 16.387 -0.359 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.687 17.546 -0.221 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.988 19.021 1.560 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.059 18.335 -1.182 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.366 19.802 0.606 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.405 19.457 -0.752 1.00 51.10 C ATOM 0 H TRP A 74 -8.215 14.183 3.295 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.619 16.570 3.980 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.606 16.266 3.483 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.742 17.773 3.717 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.420 15.091 1.070 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.591 15.907 -1.239 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.953 19.296 2.604 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.087 18.071 -2.229 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.840 20.694 0.912 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.909 20.090 -1.473 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.194 16.667 6.379 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.440 16.665 7.816 1.00 44.01 C ATOM 1166 C VAL A 75 -7.303 18.068 8.399 1.00 31.52 C ATOM 1167 O VAL A 75 -6.546 18.892 7.886 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.473 15.718 8.550 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.711 14.278 8.126 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.030 16.127 8.292 1.00 31.10 C ATOM 0 H VAL A 75 -6.435 17.281 6.082 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.461 16.313 7.962 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.662 15.792 9.621 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.018 13.624 8.655 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.735 13.993 8.366 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.550 14.184 7.052 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.360 15.447 8.818 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.825 16.083 7.222 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.870 17.144 8.651 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.039 18.330 9.474 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.997 19.633 10.128 1.00 74.30 C ATOM 1182 C HIS A 76 -7.394 19.522 11.524 1.00 62.21 C ATOM 1183 O HIS A 76 -7.287 18.428 12.079 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.404 20.229 10.214 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.243 19.629 11.300 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.481 20.044 12.566 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -10.955 18.459 11.141 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.324 19.127 13.144 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.595 18.181 12.262 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.671 17.659 9.910 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.366 20.291 9.531 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.325 21.304 10.379 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.908 20.089 9.258 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.985 17.863 10.241 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.703 19.172 14.154 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.197 17.373 12.420 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.001 20.659 12.087 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.408 20.688 13.419 1.00 33.21 C ATOM 1199 C ASP A 77 -7.433 21.128 14.461 1.00 70.34 C ATOM 1200 O ASP A 77 -7.997 22.220 14.391 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.203 21.630 13.443 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.436 22.890 12.633 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.606 23.311 12.515 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -4.449 23.454 12.115 1.00 41.33 O ATOM 0 H ASP A 77 -7.082 21.573 11.642 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.077 19.679 13.664 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.978 21.901 14.475 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.329 21.108 13.053 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.682 20.257 15.450 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.640 20.532 16.524 1.00 45.12 C ATOM 1211 C PRO A 78 -8.150 21.620 17.473 1.00 52.21 C ATOM 1212 O PRO A 78 -8.948 22.286 18.134 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.747 19.192 17.257 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.455 18.504 16.976 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.046 18.936 15.595 1.00 33.02 C ATOM 0 HA PRO A 78 -9.591 20.899 16.137 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.894 19.337 18.327 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.593 18.609 16.895 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.699 18.780 17.711 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.570 17.421 17.028 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.962 18.999 15.498 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.394 18.236 14.835 1.00 33.02 H new ATOM 1223 N SER A 79 -6.834 21.796 17.535 1.00 35.34 N ATOM 1224 CA SER A 79 -6.238 22.802 18.407 1.00 5.14 C ATOM 1225 C SER A 79 -6.327 24.189 17.776 1.00 2.34 C ATOM 1226 O SER A 79 -6.375 25.198 18.478 1.00 53.41 O ATOM 1227 CB SER A 79 -4.776 22.454 18.697 1.00 42.01 C ATOM 1228 OG SER A 79 -4.662 21.669 19.871 1.00 3.14 O ATOM 0 H SER A 79 -6.160 21.256 16.992 1.00 35.34 H new ATOM 0 HA SER A 79 -6.795 22.812 19.344 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.353 21.912 17.851 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.196 23.370 18.811 1.00 42.01 H new ATOM 0 HG SER A 79 -3.719 21.459 20.033 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.348 24.227 16.447 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.430 25.489 15.723 1.00 31.11 C ATOM 1236 C GLU A 80 -7.829 25.697 15.150 1.00 4.43 C ATOM 1237 O GLU A 80 -8.583 24.749 14.927 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.395 25.525 14.596 1.00 21.12 C ATOM 1239 CG GLU A 80 -4.127 24.751 14.912 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.412 25.277 16.140 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.708 26.418 16.555 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -2.556 24.551 16.687 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.309 23.400 15.852 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.220 26.296 16.425 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.843 25.118 13.689 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.135 26.562 14.385 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.376 23.701 15.063 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.454 24.799 14.056 1.00 61.25 H new ATOM 1249 N PRO A 81 -8.185 26.967 14.904 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.495 27.330 14.355 1.00 12.23 C ATOM 1251 C PRO A 81 -9.651 26.903 12.899 1.00 54.22 C ATOM 1252 O PRO A 81 -8.773 27.148 12.072 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.517 28.856 14.469 1.00 53.15 C ATOM 1254 CG PRO A 81 -8.082 29.257 14.459 1.00 44.41 C ATOM 1255 CD PRO A 81 -7.337 28.146 15.146 1.00 34.31 C ATOM 0 HA PRO A 81 -10.310 26.837 14.885 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -10.060 29.307 13.639 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -10.012 29.178 15.386 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.723 29.396 13.439 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.938 30.204 14.979 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.338 28.015 14.730 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -7.216 28.342 16.211 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.774 26.262 12.592 1.00 52.51 N ATOM 1264 CA VAL A 82 -11.047 25.802 11.236 1.00 44.45 C ATOM 1265 C VAL A 82 -12.148 26.631 10.584 1.00 64.55 C ATOM 1266 O VAL A 82 -13.034 27.148 11.264 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.458 24.318 11.219 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.384 23.459 11.868 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.797 24.129 11.915 1.00 72.14 C ATOM 0 H VAL A 82 -11.510 26.049 13.265 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.123 25.922 10.670 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.565 24.000 10.182 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.692 22.414 11.847 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.448 23.573 11.322 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.241 23.774 12.902 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.072 23.075 11.894 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.720 24.463 12.950 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.560 24.714 11.401 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.085 26.754 9.263 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.078 27.519 8.518 1.00 1.01 C ATOM 1281 C VAL A 83 -13.869 26.621 7.573 1.00 10.44 C ATOM 1282 O VAL A 83 -13.578 25.431 7.439 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.420 28.649 7.702 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.470 29.453 8.576 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.694 28.080 6.494 1.00 11.55 C ATOM 0 H VAL A 83 -11.357 26.334 8.686 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.755 27.956 9.252 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.202 29.319 7.344 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.014 30.247 7.984 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.023 29.892 9.406 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.691 28.798 8.965 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.235 28.892 5.929 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.921 27.388 6.827 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.404 27.552 5.858 1.00 11.55 H new ATOM 1295 N THR A 84 -14.873 27.197 6.919 1.00 44.21 N ATOM 1296 CA THR A 84 -15.708 26.450 5.988 1.00 74.32 C ATOM 1297 C THR A 84 -15.608 27.022 4.578 1.00 53.33 C ATOM 1298 O THR A 84 -16.194 28.062 4.278 1.00 51.12 O ATOM 1299 CB THR A 84 -17.184 26.453 6.429 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.273 26.668 7.841 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.860 25.139 6.067 1.00 25.03 C ATOM 0 H THR A 84 -15.127 28.180 7.018 1.00 44.21 H new ATOM 0 HA THR A 84 -15.340 25.424 5.987 1.00 74.32 H new ATOM 0 HB THR A 84 -17.695 27.262 5.906 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.215 26.670 8.113 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.901 25.165 6.388 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.817 24.993 4.988 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.347 24.316 6.565 1.00 25.03 H new ATOM 1309 N SER A 85 -14.863 26.336 3.718 1.00 12.31 N ATOM 1310 CA SER A 85 -14.684 26.779 2.340 1.00 62.15 C ATOM 1311 C SER A 85 -16.031 26.925 1.637 1.00 62.25 C ATOM 1312 O SER A 85 -17.041 26.389 2.092 1.00 25.40 O ATOM 1313 CB SER A 85 -13.802 25.791 1.575 1.00 73.20 C ATOM 1314 OG SER A 85 -14.562 25.052 0.634 1.00 45.01 O ATOM 0 H SER A 85 -14.374 25.472 3.950 1.00 12.31 H new ATOM 0 HA SER A 85 -14.195 27.753 2.358 1.00 62.15 H new ATOM 0 HB2 SER A 85 -13.007 26.331 1.061 1.00 73.20 H new ATOM 0 HB3 SER A 85 -13.322 25.108 2.276 1.00 73.20 H new ATOM 0 HG SER A 85 -14.231 24.130 0.598 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.036 27.654 0.526 1.00 54.44 N ATOM 1321 CA GLN A 86 -17.257 27.872 -0.239 1.00 2.41 C ATOM 1322 C GLN A 86 -17.765 26.565 -0.839 1.00 50.10 C ATOM 1323 O GLN A 86 -18.907 26.478 -1.290 1.00 4.23 O ATOM 1324 CB GLN A 86 -17.013 28.896 -1.350 1.00 4.33 C ATOM 1325 CG GLN A 86 -16.898 30.325 -0.846 1.00 61.13 C ATOM 1326 CD GLN A 86 -18.247 30.955 -0.562 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -18.823 31.628 -1.417 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -18.760 30.738 0.643 1.00 50.44 N ATOM 0 H GLN A 86 -15.208 28.104 0.136 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.017 28.258 0.441 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -16.098 28.632 -1.881 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -17.828 28.838 -2.071 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -16.297 30.338 0.063 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -16.370 30.926 -1.586 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -18.248 30.174 1.321 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -19.666 31.135 0.891 1.00 50.44 H new ATOM 1337 N LEU A 87 -16.908 25.550 -0.842 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.268 24.245 -1.386 1.00 32.15 C ATOM 1339 C LEU A 87 -17.773 23.316 -0.286 1.00 71.20 C ATOM 1340 O LEU A 87 -18.268 22.225 -0.561 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.067 23.614 -2.090 1.00 52.11 C ATOM 1342 CG LEU A 87 -15.136 24.580 -2.825 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -13.839 23.883 -3.210 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -15.824 25.150 -4.057 1.00 21.21 C ATOM 0 H LEU A 87 -15.958 25.605 -0.474 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.070 24.390 -2.110 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.482 23.070 -1.349 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.436 22.880 -2.807 1.00 52.11 H new ATOM 0 HG LEU A 87 -14.896 25.404 -2.154 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -13.189 24.586 -3.732 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -13.338 23.524 -2.311 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.060 23.039 -3.863 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -15.147 25.835 -4.567 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -16.095 24.337 -4.731 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -16.724 25.686 -3.756 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.647 23.761 0.960 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.096 22.958 2.083 1.00 24.33 C ATOM 1358 C GLY A 88 -16.981 22.127 2.685 1.00 1.42 C ATOM 1359 O GLY A 88 -17.233 21.122 3.350 1.00 3.52 O ATOM 0 H GLY A 88 -17.242 24.663 1.212 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.512 23.612 2.850 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -18.900 22.299 1.756 1.00 24.33 H new ATOM 1363 N THR A 89 -15.740 22.545 2.452 1.00 71.55 N ATOM 1364 CA THR A 89 -14.582 21.832 2.973 1.00 55.20 C ATOM 1365 C THR A 89 -14.003 22.541 4.193 1.00 10.24 C ATOM 1366 O THR A 89 -13.772 23.750 4.168 1.00 41.43 O ATOM 1367 CB THR A 89 -13.481 21.691 1.906 1.00 22.31 C ATOM 1368 OG1 THR A 89 -12.824 22.947 1.710 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.065 21.208 0.586 1.00 71.24 C ATOM 0 H THR A 89 -15.512 23.375 1.905 1.00 71.55 H new ATOM 0 HA THR A 89 -14.927 20.839 3.262 1.00 55.20 H new ATOM 0 HB THR A 89 -12.758 20.954 2.258 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.069 23.021 2.330 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.268 21.116 -0.152 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.539 20.237 0.731 1.00 71.24 H new ATOM 0 HG23 THR A 89 -14.806 21.924 0.232 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.770 21.781 5.258 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.217 22.337 6.486 1.00 62.33 C ATOM 1379 C ILE A 90 -11.723 22.609 6.342 1.00 55.32 C ATOM 1380 O ILE A 90 -10.927 21.687 6.172 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.441 21.394 7.682 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.936 21.131 7.878 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.833 21.986 8.945 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.736 22.380 8.176 1.00 10.43 C ATOM 0 H ILE A 90 -13.956 20.779 5.295 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.740 23.276 6.670 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.947 20.445 7.475 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.335 20.660 6.979 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -15.068 20.422 8.695 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -13.000 21.308 9.782 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.762 22.128 8.801 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.301 22.947 9.158 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.786 22.118 8.303 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.364 22.841 9.091 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.635 23.083 7.349 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.349 23.883 6.412 1.00 75.15 N ATOM 1397 CA ASN A 91 -9.950 24.277 6.290 1.00 52.40 C ATOM 1398 C ASN A 91 -9.434 24.860 7.602 1.00 14.34 C ATOM 1399 O ASN A 91 -10.139 24.868 8.609 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.784 25.299 5.163 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.068 24.705 3.798 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.294 23.502 3.666 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.059 25.549 2.772 1.00 51.12 N ATOM 0 H ASN A 91 -11.995 24.660 6.553 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.366 23.388 6.054 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.455 26.140 5.337 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -8.768 25.693 5.180 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.244 25.207 1.829 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.867 26.539 2.927 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.198 25.348 7.579 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.586 25.934 8.767 1.00 25.44 C ATOM 1412 C ASN A 92 -7.197 27.387 8.517 1.00 42.41 C ATOM 1413 O ASN A 92 -6.676 27.729 7.455 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.353 25.128 9.180 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.571 23.632 9.058 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -7.715 23.161 9.538 1.00 14.31 O flip ATOM 1417 ND2 ASN A 92 -5.721 22.910 8.539 1.00 64.12 N flip ATOM 0 H ASN A 92 -7.601 25.350 6.752 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.318 25.906 9.574 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.507 25.421 8.559 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.092 25.371 10.210 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -4.855 23.316 8.183 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -5.882 21.906 8.464 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.455 28.241 9.503 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.132 29.658 9.392 1.00 13.40 C ATOM 1426 C LEU A 93 -6.001 30.035 10.345 1.00 33.45 C ATOM 1427 O LEU A 93 -6.047 29.721 11.534 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.368 30.508 9.690 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.126 32.007 9.865 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.474 32.592 8.621 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.431 32.726 10.171 1.00 44.50 C ATOM 0 H LEU A 93 -7.887 27.975 10.388 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.803 29.851 8.371 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.084 30.368 8.880 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.835 30.127 10.598 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.449 32.149 10.707 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.310 33.660 8.764 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.518 32.098 8.445 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.126 32.438 7.761 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.239 33.792 10.292 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.131 32.574 9.349 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.859 32.327 11.091 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.989 30.713 9.813 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.849 31.136 10.617 1.00 23.02 C ATOM 1445 C ILE A 94 -3.656 32.647 10.545 1.00 33.42 C ATOM 1446 O ILE A 94 -3.875 33.263 9.503 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.551 30.442 10.161 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.365 30.931 10.996 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.305 30.698 8.682 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.363 29.844 11.317 1.00 55.11 C ATOM 0 H ILE A 94 -4.935 30.981 8.830 1.00 72.12 H new ATOM 0 HA ILE A 94 -4.064 30.848 11.646 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.659 29.368 10.311 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.859 31.733 10.459 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.738 31.357 11.928 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.385 30.201 8.375 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.140 30.306 8.101 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.214 31.770 8.509 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.450 30.262 11.911 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.854 29.052 11.882 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.038 29.434 10.390 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.243 33.239 11.662 1.00 31.02 N ATOM 1463 CA HIS A 95 -3.018 34.678 11.726 1.00 3.12 C ATOM 1464 C HIS A 95 -1.568 34.987 12.087 1.00 23.15 C ATOM 1465 O HIS A 95 -0.999 34.373 12.991 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.957 35.318 12.749 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.406 35.041 12.487 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.378 35.134 13.461 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -6.046 34.674 11.352 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.552 34.834 12.937 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.380 34.551 11.659 1.00 25.13 N ATOM 0 H HIS A 95 -3.058 32.744 12.534 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.226 35.096 10.741 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.700 34.954 13.744 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.796 36.396 12.753 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.215 35.394 14.434 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.593 34.509 10.386 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.494 34.822 13.465 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.976 35.940 11.375 1.00 71.41 N ATOM 1480 CA VAL A 96 0.408 36.329 11.621 1.00 30.12 C ATOM 1481 C VAL A 96 0.485 37.714 12.252 1.00 32.13 C ATOM 1482 O VAL A 96 -0.236 38.630 11.857 1.00 62.43 O ATOM 1483 CB VAL A 96 1.233 36.323 10.320 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.683 36.678 10.605 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.130 34.970 9.631 1.00 60.41 C ATOM 0 H VAL A 96 -1.432 36.457 10.623 1.00 71.41 H new ATOM 0 HA VAL A 96 0.825 35.595 12.310 1.00 30.12 H new ATOM 0 HB VAL A 96 0.826 37.079 9.648 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.250 36.669 9.674 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.734 37.672 11.050 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.107 35.949 11.295 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.719 34.983 8.714 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.510 34.194 10.295 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.087 34.763 9.390 1.00 60.41 H new ATOM 1495 N LYS A 97 1.366 37.862 13.236 1.00 13.43 N ATOM 1496 CA LYS A 97 1.540 39.136 13.923 1.00 32.32 C ATOM 1497 C LYS A 97 3.017 39.506 14.016 1.00 33.23 C ATOM 1498 O LYS A 97 3.874 38.642 14.200 1.00 53.25 O ATOM 1499 CB LYS A 97 0.931 39.071 15.325 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.462 38.464 15.356 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.965 38.295 16.779 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.908 37.108 16.899 1.00 62.22 C ATOM 1503 NZ LYS A 97 -1.231 35.825 16.563 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.971 37.114 13.576 1.00 13.43 H new ATOM 0 HA LYS A 97 1.026 39.904 13.346 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.587 38.487 15.970 1.00 23.44 H new ATOM 0 HB3 LYS A 97 0.889 40.078 15.741 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -1.150 39.101 14.799 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.449 37.495 14.856 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -0.118 38.158 17.452 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -1.479 39.203 17.095 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -2.300 37.057 17.915 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -2.761 37.253 16.236 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -1.710 35.042 17.051 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -1.272 35.669 15.536 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -0.237 35.867 16.867 1.00 53.42 H new ATOM 1517 N LYS A 98 3.307 40.797 13.889 1.00 54.02 N ATOM 1518 CA LYS A 98 4.680 41.283 13.962 1.00 54.22 C ATOM 1519 C LYS A 98 5.263 41.062 15.354 1.00 33.52 C ATOM 1520 O LYS A 98 4.662 41.446 16.357 1.00 54.13 O ATOM 1521 CB LYS A 98 4.736 42.769 13.603 1.00 72.45 C ATOM 1522 CG LYS A 98 6.003 43.170 12.868 1.00 22.24 C ATOM 1523 CD LYS A 98 5.698 44.071 11.683 1.00 61.03 C ATOM 1524 CE LYS A 98 5.672 43.289 10.379 1.00 12.11 C ATOM 1525 NZ LYS A 98 5.450 44.176 9.204 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.610 41.525 13.735 1.00 54.02 H new ATOM 0 HA LYS A 98 5.277 40.720 13.245 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.873 43.018 12.985 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.654 43.358 14.516 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.675 43.685 13.554 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.523 42.276 12.523 1.00 22.24 H new ATOM 0 HD2 LYS A 98 4.735 44.559 11.835 1.00 61.03 H new ATOM 0 HD3 LYS A 98 6.449 44.859 11.621 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.614 42.754 10.257 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.883 42.538 10.421 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 5.439 43.605 8.335 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 4.539 44.667 9.307 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 6.217 44.876 9.148 1.00 62.45 H new