USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 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+ -147:sc= -0.116 (180deg=-0.995) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.171 K(o=0.054,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 110:sc= -0.276 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 160:sc= -0.955 USER MOD Single : A 36 SER OG : rot -26:sc= 0.233 USER MOD Single : A 38 ASN : amide:sc= -0.79 K(o=-0.79,f=-4.5!) USER MOD Single : A 39 ASN : amide:sc= -0.0947 K(o=-0.095,f=-2!) USER MOD Single : A 41 SER OG : rot -81:sc= -0.176 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0537) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -51:sc= -1.41 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.812 K(o=-0.81,f=-1.8) USER MOD Single : A 64 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-0.87) USER MOD Single : A 65 GLN : amide:sc= -0.503 K(o=-0.5,f=-3.5!) USER MOD Single : A 66 TYR OH : rot 144:sc= 1.29 USER MOD Single : A 73 GLN : amide:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.44) 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 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.22) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -3.83 X(o=-3.8,f=-4.1!) USER MOD Single : A 95 HIS : no HE2:sc= -2.26! C(o=-2.3!,f=-6.5!) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= 1.01 (180deg=0.804) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.539 38.576 9.119 1.00 33.52 N ATOM 244 CA ARG A 18 7.457 37.681 10.268 1.00 13.22 C ATOM 245 C ARG A 18 6.939 36.307 9.850 1.00 32.13 C ATOM 246 O ARG A 18 5.766 36.133 9.518 1.00 45.04 O ATOM 247 CB ARG A 18 6.544 38.277 11.340 1.00 74.21 C ATOM 248 CG ARG A 18 6.903 37.846 12.754 1.00 51.14 C ATOM 249 CD ARG A 18 6.336 36.473 13.077 1.00 72.54 C ATOM 250 NE ARG A 18 5.978 36.348 14.488 1.00 24.34 N ATOM 251 CZ ARG A 18 5.423 35.260 15.011 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.163 34.210 14.245 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 5.126 35.222 16.304 1.00 44.41 N ATOM 0 HA ARG A 18 8.460 37.563 10.679 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.587 39.364 11.279 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.514 37.987 11.131 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.987 37.829 12.867 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.520 38.576 13.467 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.455 36.290 12.462 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.069 35.708 12.820 1.00 72.54 H new ATOM 0 HE ARG A 18 6.164 37.139 15.105 1.00 24.34 H new ATOM 0 HH11 ARG A 18 5.389 34.236 13.251 1.00 13.44 H new ATOM 0 HH12 ARG A 18 4.737 33.376 14.650 1.00 13.44 H new ATOM 0 HH21 ARG A 18 5.324 36.028 16.897 1.00 44.41 H new ATOM 0 HH22 ARG A 18 4.700 34.387 16.705 1.00 44.41 H new ATOM 267 N PRO A 19 7.833 35.308 9.866 1.00 42.30 N ATOM 268 CA PRO A 19 7.489 33.933 9.493 1.00 72.54 C ATOM 269 C PRO A 19 6.577 33.265 10.516 1.00 40.44 C ATOM 270 O PRO A 19 6.347 33.800 11.602 1.00 14.01 O ATOM 271 CB PRO A 19 8.847 33.228 9.447 1.00 10.11 C ATOM 272 CG PRO A 19 9.715 34.018 10.364 1.00 63.22 C ATOM 273 CD PRO A 19 9.248 35.443 10.252 1.00 44.21 C ATOM 0 HA PRO A 19 6.939 33.892 8.553 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.766 32.191 9.774 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.251 33.213 8.435 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.628 33.659 11.389 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.764 33.928 10.082 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.358 35.977 11.196 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.818 35.995 9.505 1.00 44.21 H new ATOM 281 N THR A 20 6.060 32.091 10.165 1.00 65.22 N ATOM 282 CA THR A 20 5.173 31.351 11.052 1.00 1.42 C ATOM 283 C THR A 20 5.419 29.850 10.949 1.00 44.04 C ATOM 284 O THR A 20 5.470 29.293 9.853 1.00 14.52 O ATOM 285 CB THR A 20 3.693 31.639 10.736 1.00 74.14 C ATOM 286 OG1 THR A 20 3.478 33.052 10.643 1.00 14.13 O ATOM 287 CG2 THR A 20 2.786 31.052 11.807 1.00 21.30 C ATOM 0 H THR A 20 6.241 31.633 9.272 1.00 65.22 H new ATOM 0 HA THR A 20 5.392 31.684 12.066 1.00 1.42 H new ATOM 0 HB THR A 20 3.451 31.171 9.782 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.300 33.295 9.710 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.746 31.268 11.562 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.931 29.973 11.855 1.00 21.30 H new ATOM 0 HG23 THR A 20 3.030 31.494 12.773 1.00 21.30 H new ATOM 295 N VAL A 21 5.571 29.200 12.099 1.00 72.24 N ATOM 296 CA VAL A 21 5.810 27.762 12.137 1.00 21.13 C ATOM 297 C VAL A 21 4.600 27.018 12.689 1.00 13.22 C ATOM 298 O VAL A 21 4.073 27.367 13.746 1.00 54.24 O ATOM 299 CB VAL A 21 7.043 27.421 12.995 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.895 27.996 14.395 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.256 25.916 13.048 1.00 62.22 C ATOM 0 H VAL A 21 5.533 29.646 13.016 1.00 72.24 H new ATOM 0 HA VAL A 21 5.991 27.444 11.110 1.00 21.13 H new ATOM 0 HB VAL A 21 7.921 27.873 12.533 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.775 27.745 14.986 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.795 29.080 14.335 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.008 27.576 14.869 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.131 25.694 13.658 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.378 25.439 13.485 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.411 25.535 12.039 1.00 62.22 H new ATOM 311 N ILE A 22 4.164 25.990 11.968 1.00 3.43 N ATOM 312 CA ILE A 22 3.016 25.195 12.387 1.00 12.44 C ATOM 313 C ILE A 22 3.414 23.746 12.639 1.00 32.43 C ATOM 314 O ILE A 22 4.183 23.160 11.877 1.00 24.12 O ATOM 315 CB ILE A 22 1.892 25.231 11.334 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.611 26.674 10.906 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.632 24.580 11.883 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.524 26.792 9.859 1.00 60.50 C ATOM 0 H ILE A 22 4.588 25.688 11.091 1.00 3.43 H new ATOM 0 HA ILE A 22 2.649 25.635 13.314 1.00 12.44 H new ATOM 0 HB ILE A 22 2.215 24.669 10.458 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.325 27.256 11.782 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.529 27.115 10.517 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.153 24.613 11.128 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.842 23.543 12.143 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.303 25.117 12.772 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.378 27.841 9.603 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.816 26.238 8.967 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.406 26.381 10.252 1.00 60.50 H new ATOM 330 N ARG A 23 2.884 23.172 13.715 1.00 11.32 N ATOM 331 CA ARG A 23 3.184 21.789 14.069 1.00 71.41 C ATOM 332 C ARG A 23 1.995 20.882 13.769 1.00 72.25 C ATOM 333 O ARG A 23 0.844 21.314 13.818 1.00 15.13 O ATOM 334 CB ARG A 23 3.555 21.688 15.550 1.00 10.01 C ATOM 335 CG ARG A 23 3.834 20.267 16.012 1.00 51.15 C ATOM 336 CD ARG A 23 4.340 20.238 17.446 1.00 13.14 C ATOM 337 NE ARG A 23 3.354 20.765 18.385 1.00 73.24 N ATOM 338 CZ ARG A 23 3.621 21.033 19.659 1.00 1.22 C ATOM 339 NH1 ARG A 23 4.839 20.823 20.142 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.671 21.510 20.451 1.00 60.42 N ATOM 0 H ARG A 23 2.245 23.643 14.356 1.00 11.32 H new ATOM 0 HA ARG A 23 4.031 21.461 13.466 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.436 22.302 15.738 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.744 22.103 16.148 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.924 19.672 15.934 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.572 19.808 15.355 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.591 19.214 17.721 1.00 13.14 H new ATOM 0 HD3 ARG A 23 5.258 20.822 17.518 1.00 13.14 H new ATOM 0 HE ARG A 23 2.408 20.937 18.044 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.572 20.455 19.535 1.00 61.23 H new ATOM 0 HH12 ARG A 23 5.042 21.029 21.120 1.00 61.23 H new ATOM 0 HH21 ARG A 23 1.734 21.672 20.083 1.00 60.42 H new ATOM 0 HH22 ARG A 23 2.877 21.715 21.429 1.00 60.42 H new ATOM 354 N TRP A 24 2.282 19.623 13.458 1.00 3.23 N ATOM 355 CA TRP A 24 1.237 18.654 13.150 1.00 15.23 C ATOM 356 C TRP A 24 1.301 17.462 14.097 1.00 63.45 C ATOM 357 O TRP A 24 2.382 17.056 14.525 1.00 54.01 O ATOM 358 CB TRP A 24 1.365 18.178 11.702 1.00 72.25 C ATOM 359 CG TRP A 24 0.447 17.041 11.367 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.807 15.768 11.032 1.00 34.04 C ATOM 361 CD2 TRP A 24 -0.984 17.079 11.331 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.314 15.010 10.791 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.425 15.791 10.969 1.00 15.10 C ATOM 364 CE3 TRP A 24 -1.935 18.074 11.572 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.776 15.475 10.840 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.275 17.758 11.444 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.685 16.469 11.082 1.00 33.23 C ATOM 0 H TRP A 24 3.230 19.249 13.412 1.00 3.23 H new ATOM 0 HA TRP A 24 0.273 19.145 13.280 1.00 15.23 H new ATOM 0 HB2 TRP A 24 1.157 19.013 11.033 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.394 17.871 11.518 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.823 15.409 10.966 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.318 14.026 10.523 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.629 19.071 11.853 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.094 14.482 10.559 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.019 18.519 11.627 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.740 16.255 10.992 1.00 33.23 H new ATOM 378 N SER A 25 0.139 16.905 14.423 1.00 32.42 N ATOM 379 CA SER A 25 0.064 15.762 15.324 1.00 61.31 C ATOM 380 C SER A 25 -0.883 14.700 14.776 1.00 1.43 C ATOM 381 O SER A 25 -2.071 14.954 14.580 1.00 0.20 O ATOM 382 CB SER A 25 -0.400 16.208 16.712 1.00 74.14 C ATOM 383 OG SER A 25 -0.622 15.094 17.559 1.00 11.02 O ATOM 0 H SER A 25 -0.764 17.228 14.076 1.00 32.42 H new ATOM 0 HA SER A 25 1.061 15.329 15.404 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.350 16.863 17.156 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.318 16.789 16.623 1.00 74.14 H new ATOM 0 HG SER A 25 -0.916 15.406 18.440 1.00 11.02 H new ATOM 389 N GLU A 26 -0.347 13.508 14.531 1.00 53.04 N ATOM 390 CA GLU A 26 -1.144 12.407 14.004 1.00 60.10 C ATOM 391 C GLU A 26 -0.326 11.119 13.951 1.00 74.23 C ATOM 392 O GLU A 26 -0.747 10.082 14.462 1.00 22.33 O ATOM 393 CB GLU A 26 -1.667 12.749 12.607 1.00 62.15 C ATOM 394 CG GLU A 26 -2.662 11.736 12.065 1.00 12.22 C ATOM 395 CD GLU A 26 -2.025 10.743 11.113 1.00 34.13 C ATOM 396 OE1 GLU A 26 -1.135 11.152 10.336 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -2.416 9.558 11.144 1.00 61.43 O ATOM 0 H GLU A 26 0.635 13.281 14.689 1.00 53.04 H new ATOM 0 HA GLU A 26 -1.990 12.253 14.673 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.140 13.731 12.635 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -0.824 12.821 11.920 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.115 11.197 12.897 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.466 12.262 11.551 1.00 12.22 H new ATOM 404 N GLY A 27 0.846 11.195 13.329 1.00 15.14 N ATOM 405 CA GLY A 27 1.705 10.029 13.219 1.00 4.13 C ATOM 406 C GLY A 27 1.709 9.441 11.822 1.00 73.25 C ATOM 407 O GLY A 27 1.759 8.223 11.655 1.00 40.05 O ATOM 0 H GLY A 27 1.217 12.042 12.899 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.723 10.304 13.497 1.00 4.13 H new ATOM 0 HA3 GLY A 27 1.375 9.270 13.928 1.00 4.13 H new ATOM 411 N GLY A 28 1.654 10.308 10.817 1.00 1.41 N ATOM 412 CA GLY A 28 1.651 9.849 9.440 1.00 61.23 C ATOM 413 C GLY A 28 3.048 9.732 8.864 1.00 31.04 C ATOM 414 O GLY A 28 4.020 10.175 9.477 1.00 11.20 O ATOM 0 H GLY A 28 1.611 11.321 10.931 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.156 8.879 9.385 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.067 10.540 8.831 1.00 61.23 H new ATOM 418 N LYS A 29 3.152 9.133 7.682 1.00 2.02 N ATOM 419 CA LYS A 29 4.441 8.958 7.024 1.00 70.24 C ATOM 420 C LYS A 29 4.737 10.128 6.091 1.00 44.33 C ATOM 421 O LYS A 29 5.891 10.526 5.927 1.00 44.34 O ATOM 422 CB LYS A 29 4.460 7.646 6.235 1.00 33.13 C ATOM 423 CG LYS A 29 3.294 7.499 5.272 1.00 54.20 C ATOM 424 CD LYS A 29 2.409 6.321 5.644 1.00 2.42 C ATOM 425 CE LYS A 29 2.828 5.056 4.911 1.00 32.15 C ATOM 426 NZ LYS A 29 2.361 5.052 3.497 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.358 8.761 7.160 1.00 2.02 H new ATOM 0 HA LYS A 29 5.213 8.924 7.793 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.393 7.582 5.675 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.450 6.811 6.935 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.702 8.414 5.273 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.672 7.365 4.259 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.459 6.153 6.720 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.371 6.554 5.405 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.914 4.966 4.935 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.424 4.186 5.429 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.667 4.173 3.033 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.323 5.112 3.474 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.766 5.868 2.995 1.00 31.05 H new ATOM 440 N GLU A 30 3.689 10.676 5.483 1.00 70.41 N ATOM 441 CA GLU A 30 3.840 11.800 4.567 1.00 31.12 C ATOM 442 C GLU A 30 2.860 12.918 4.913 1.00 62.13 C ATOM 443 O GLU A 30 1.644 12.738 4.843 1.00 50.04 O ATOM 444 CB GLU A 30 3.621 11.345 3.123 1.00 52.54 C ATOM 445 CG GLU A 30 4.551 10.225 2.691 1.00 64.11 C ATOM 446 CD GLU A 30 4.760 10.186 1.190 1.00 64.32 C ATOM 447 OE1 GLU A 30 5.552 11.008 0.681 1.00 41.54 O ATOM 448 OE2 GLU A 30 4.132 9.336 0.524 1.00 24.13 O1- ATOM 0 H GLU A 30 2.727 10.360 5.608 1.00 70.41 H new ATOM 0 HA GLU A 30 4.855 12.184 4.669 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.589 11.014 3.008 1.00 52.54 H new ATOM 0 HB3 GLU A 30 3.758 12.197 2.457 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.515 10.347 3.185 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.142 9.270 3.022 1.00 64.11 H new ATOM 455 N VAL A 31 3.398 14.074 5.290 1.00 74.14 N ATOM 456 CA VAL A 31 2.573 15.221 5.648 1.00 50.44 C ATOM 457 C VAL A 31 2.990 16.463 4.866 1.00 42.45 C ATOM 458 O VAL A 31 4.180 16.719 4.676 1.00 5.15 O ATOM 459 CB VAL A 31 2.656 15.524 7.155 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.639 16.587 7.543 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.448 14.254 7.966 1.00 3.42 C ATOM 0 H VAL A 31 4.402 14.240 5.355 1.00 74.14 H new ATOM 0 HA VAL A 31 1.545 14.963 5.394 1.00 50.44 H new ATOM 0 HB VAL A 31 3.651 15.910 7.376 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.713 16.788 8.612 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.840 17.503 6.987 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.635 16.233 7.309 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.510 14.487 9.029 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.466 13.836 7.743 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.219 13.527 7.708 1.00 3.42 H new ATOM 471 N PHE A 32 2.004 17.231 4.417 1.00 3.30 N ATOM 472 CA PHE A 32 2.268 18.447 3.656 1.00 33.30 C ATOM 473 C PHE A 32 1.342 19.577 4.097 1.00 0.43 C ATOM 474 O PHE A 32 0.430 19.369 4.897 1.00 64.31 O ATOM 475 CB PHE A 32 2.095 18.185 2.159 1.00 54.22 C ATOM 476 CG PHE A 32 2.921 17.037 1.651 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.221 17.241 1.219 1.00 31.12 C ATOM 478 CD2 PHE A 32 2.397 15.756 1.608 1.00 61.04 C ATOM 479 CE1 PHE A 32 4.983 16.187 0.751 1.00 15.41 C ATOM 480 CE2 PHE A 32 3.154 14.697 1.140 1.00 62.11 C ATOM 481 CZ PHE A 32 4.449 14.914 0.713 1.00 40.11 C ATOM 0 H PHE A 32 1.015 17.034 4.567 1.00 3.30 H new ATOM 0 HA PHE A 32 3.298 18.749 3.848 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.044 17.985 1.953 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.362 19.086 1.607 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.644 18.234 1.248 1.00 31.12 H new ATOM 0 HD2 PHE A 32 1.385 15.582 1.944 1.00 61.04 H new ATOM 0 HE1 PHE A 32 5.995 16.359 0.415 1.00 15.41 H new ATOM 0 HE2 PHE A 32 2.733 13.703 1.109 1.00 62.11 H new ATOM 0 HZ PHE A 32 5.044 14.089 0.350 1.00 40.11 H new ATOM 491 N ILE A 33 1.584 20.772 3.569 1.00 13.34 N ATOM 492 CA ILE A 33 0.773 21.935 3.907 1.00 72.44 C ATOM 493 C ILE A 33 0.565 22.832 2.692 1.00 11.41 C ATOM 494 O ILE A 33 1.488 23.064 1.913 1.00 13.30 O ATOM 495 CB ILE A 33 1.415 22.760 5.037 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.532 23.959 5.387 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.807 23.222 4.630 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.940 24.658 6.666 1.00 0.14 C ATOM 0 H ILE A 33 2.335 20.960 2.905 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.192 21.559 4.247 1.00 72.44 H new ATOM 0 HB ILE A 33 1.506 22.129 5.921 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.563 24.675 4.566 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.501 23.624 5.479 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.248 23.804 5.439 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.433 22.354 4.425 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.738 23.840 3.735 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.270 25.498 6.851 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.882 23.957 7.498 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.962 25.024 6.571 1.00 0.14 H new ATOM 510 N SER A 34 -0.656 23.336 2.537 1.00 74.21 N ATOM 511 CA SER A 34 -0.987 24.207 1.415 1.00 21.11 C ATOM 512 C SER A 34 -2.013 25.258 1.828 1.00 75.54 C ATOM 513 O SER A 34 -2.965 24.963 2.549 1.00 75.43 O ATOM 514 CB SER A 34 -1.526 23.383 0.244 1.00 25.35 C ATOM 515 OG SER A 34 -0.977 22.076 0.244 1.00 52.43 O ATOM 0 H SER A 34 -1.432 23.156 3.174 1.00 74.21 H new ATOM 0 HA SER A 34 -0.076 24.717 1.102 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.613 23.324 0.306 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.287 23.881 -0.696 1.00 25.35 H new ATOM 0 HG SER A 34 -1.548 21.481 -0.286 1.00 52.43 H new ATOM 521 N GLY A 35 -1.810 26.487 1.364 1.00 54.31 N ATOM 522 CA GLY A 35 -2.725 27.565 1.695 1.00 42.32 C ATOM 523 C GLY A 35 -2.641 28.717 0.715 1.00 45.21 C ATOM 524 O GLY A 35 -2.001 28.607 -0.331 1.00 21.03 O ATOM 0 H GLY A 35 -1.029 26.756 0.765 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.745 27.180 1.712 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.505 27.929 2.699 1.00 42.32 H new ATOM 528 N SER A 36 -3.291 29.827 1.051 1.00 75.24 N ATOM 529 CA SER A 36 -3.293 31.004 0.190 1.00 34.33 C ATOM 530 C SER A 36 -1.915 31.661 0.166 1.00 71.13 C ATOM 531 O SER A 36 -1.641 32.524 -0.668 1.00 4.31 O ATOM 532 CB SER A 36 -4.341 32.010 0.667 1.00 65.34 C ATOM 533 OG SER A 36 -4.452 33.097 -0.236 1.00 13.12 O ATOM 0 H SER A 36 -3.823 29.936 1.914 1.00 75.24 H new ATOM 0 HA SER A 36 -3.542 30.683 -0.821 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.307 31.515 0.765 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.071 32.381 1.656 1.00 65.34 H new ATOM 0 HG SER A 36 -3.607 33.209 -0.719 1.00 13.12 H new ATOM 539 N PHE A 37 -1.053 31.246 1.088 1.00 23.10 N ATOM 540 CA PHE A 37 0.295 31.793 1.175 1.00 11.12 C ATOM 541 C PHE A 37 1.158 31.301 0.016 1.00 50.51 C ATOM 542 O PHE A 37 2.224 31.853 -0.256 1.00 73.12 O ATOM 543 CB PHE A 37 0.942 31.407 2.507 1.00 22.03 C ATOM 544 CG PHE A 37 1.008 29.923 2.732 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.052 29.176 2.213 1.00 4.33 C ATOM 546 CD2 PHE A 37 0.025 29.276 3.465 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.115 27.810 2.418 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.082 27.911 3.675 1.00 24.12 C ATOM 549 CZ PHE A 37 1.129 27.178 3.152 1.00 45.15 C ATOM 0 H PHE A 37 -1.264 30.532 1.786 1.00 23.10 H new ATOM 0 HA PHE A 37 0.223 32.879 1.116 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.951 31.818 2.544 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.381 31.866 3.321 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.826 29.666 1.641 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.795 29.845 3.877 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.933 27.238 2.005 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.691 27.419 4.247 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.177 26.112 3.316 1.00 45.15 H new ATOM 559 N ASN A 38 0.689 30.259 -0.661 1.00 22.03 N ATOM 560 CA ASN A 38 1.418 29.690 -1.790 1.00 73.21 C ATOM 561 C ASN A 38 0.503 29.526 -3.000 1.00 65.12 C ATOM 562 O ASN A 38 0.818 28.789 -3.933 1.00 33.34 O ATOM 563 CB ASN A 38 2.020 28.337 -1.405 1.00 74.54 C ATOM 564 CG ASN A 38 0.961 27.306 -1.070 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.524 27.198 0.077 1.00 32.13 O ATOM 566 ND2 ASN A 38 0.541 26.542 -2.072 1.00 70.32 N ATOM 0 H ASN A 38 -0.192 29.791 -0.448 1.00 22.03 H new ATOM 0 HA ASN A 38 2.223 30.376 -2.055 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.634 27.969 -2.227 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.680 28.467 -0.547 1.00 74.54 H new ATOM 0 HD21 ASN A 38 -0.171 25.831 -1.907 1.00 70.32 H new ATOM 0 HD22 ASN A 38 0.931 26.666 -3.006 1.00 70.32 H new ATOM 573 N ASN A 39 -0.631 30.219 -2.976 1.00 74.22 N ATOM 574 CA ASN A 39 -1.591 30.150 -4.073 1.00 43.44 C ATOM 575 C ASN A 39 -2.093 28.723 -4.267 1.00 54.22 C ATOM 576 O ASN A 39 -2.605 28.373 -5.330 1.00 61.41 O ATOM 577 CB ASN A 39 -0.956 30.660 -5.367 1.00 4.25 C ATOM 578 CG ASN A 39 -1.986 31.191 -6.346 1.00 33.23 C ATOM 579 OD1 ASN A 39 -3.157 31.355 -6.004 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.553 31.461 -7.572 1.00 32.44 N ATOM 0 H ASN A 39 -0.908 30.834 -2.211 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.441 30.784 -3.820 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.242 31.449 -5.132 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.395 29.852 -5.836 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.200 31.820 -8.274 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.573 31.310 -7.812 1.00 32.44 H new ATOM 587 N TRP A 40 -1.945 27.903 -3.232 1.00 11.01 N ATOM 588 CA TRP A 40 -2.384 26.513 -3.289 1.00 32.51 C ATOM 589 C TRP A 40 -1.824 25.816 -4.523 1.00 23.40 C ATOM 590 O TRP A 40 -2.444 24.899 -5.064 1.00 14.41 O ATOM 591 CB TRP A 40 -3.912 26.441 -3.295 1.00 1.54 C ATOM 592 CG TRP A 40 -4.551 27.296 -2.243 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.738 28.648 -2.289 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.087 26.858 -0.990 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.357 29.076 -1.140 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.583 27.997 -0.327 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.197 25.613 -0.364 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.177 27.926 0.930 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.787 25.545 0.884 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.271 26.695 1.520 1.00 71.30 C ATOM 0 H TRP A 40 -1.525 28.176 -2.344 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.006 26.001 -2.404 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.279 26.747 -4.274 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.220 25.406 -3.148 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.443 29.287 -3.108 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.608 30.041 -0.927 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.828 24.720 -0.847 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.551 28.812 1.422 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.876 24.588 1.377 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.727 26.609 2.495 1.00 71.30 H new ATOM 611 N SER A 41 -0.650 26.254 -4.965 1.00 74.51 N ATOM 612 CA SER A 41 -0.009 25.673 -6.139 1.00 24.05 C ATOM 613 C SER A 41 0.826 24.457 -5.756 1.00 42.45 C ATOM 614 O SER A 41 0.756 23.411 -6.402 1.00 72.12 O ATOM 615 CB SER A 41 0.873 26.714 -6.832 1.00 64.43 C ATOM 616 OG SER A 41 2.112 26.862 -6.159 1.00 75.12 O ATOM 0 H SER A 41 -0.123 27.010 -4.528 1.00 74.51 H new ATOM 0 HA SER A 41 -0.791 25.353 -6.828 1.00 24.05 H new ATOM 0 HB2 SER A 41 1.050 26.415 -7.865 1.00 64.43 H new ATOM 0 HB3 SER A 41 0.355 27.673 -6.862 1.00 64.43 H new ATOM 0 HG SER A 41 1.994 27.447 -5.382 1.00 75.12 H new ATOM 622 N THR A 42 1.618 24.599 -4.697 1.00 73.54 N ATOM 623 CA THR A 42 2.468 23.513 -4.227 1.00 45.04 C ATOM 624 C THR A 42 2.387 23.369 -2.710 1.00 34.20 C ATOM 625 O THR A 42 2.386 24.361 -1.981 1.00 34.44 O ATOM 626 CB THR A 42 3.937 23.734 -4.632 1.00 1.10 C ATOM 627 OG1 THR A 42 4.461 24.890 -3.967 1.00 15.30 O ATOM 628 CG2 THR A 42 4.064 23.909 -6.137 1.00 52.41 C ATOM 0 H THR A 42 1.688 25.456 -4.149 1.00 73.54 H new ATOM 0 HA THR A 42 2.103 22.600 -4.697 1.00 45.04 H new ATOM 0 HB THR A 42 4.508 22.854 -4.335 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.396 25.022 -4.229 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.111 24.064 -6.398 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.693 23.016 -6.640 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.480 24.773 -6.453 1.00 52.41 H new ATOM 636 N LYS A 43 2.321 22.128 -2.242 1.00 53.21 N ATOM 637 CA LYS A 43 2.242 21.853 -0.813 1.00 62.12 C ATOM 638 C LYS A 43 3.636 21.703 -0.210 1.00 0.51 C ATOM 639 O LYS A 43 4.421 20.858 -0.639 1.00 42.43 O ATOM 640 CB LYS A 43 1.428 20.582 -0.560 1.00 42.01 C ATOM 641 CG LYS A 43 2.033 19.338 -1.188 1.00 13.53 C ATOM 642 CD LYS A 43 1.059 18.170 -1.161 1.00 24.00 C ATOM 643 CE LYS A 43 1.368 17.164 -2.259 1.00 21.13 C ATOM 644 NZ LYS A 43 0.943 17.655 -3.599 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.321 21.296 -2.832 1.00 53.21 H new ATOM 0 HA LYS A 43 1.745 22.697 -0.334 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.335 20.428 0.515 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.420 20.722 -0.950 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.319 19.551 -2.218 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.944 19.066 -0.655 1.00 13.53 H new ATOM 0 HD2 LYS A 43 1.107 17.677 -0.190 1.00 24.00 H new ATOM 0 HD3 LYS A 43 0.041 18.540 -1.281 1.00 24.00 H new ATOM 0 HE2 LYS A 43 2.438 16.957 -2.271 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.864 16.223 -2.041 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.981 16.873 -4.283 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 -0.030 18.019 -3.543 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.580 18.417 -3.908 1.00 63.23 H new ATOM 658 N ILE A 44 3.935 22.528 0.789 1.00 50.11 N ATOM 659 CA ILE A 44 5.232 22.486 1.452 1.00 75.21 C ATOM 660 C ILE A 44 5.351 21.257 2.348 1.00 20.24 C ATOM 661 O ILE A 44 4.465 20.952 3.145 1.00 14.21 O ATOM 662 CB ILE A 44 5.474 23.750 2.299 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.873 24.923 1.400 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.546 23.488 3.345 1.00 1.53 C ATOM 665 CD1 ILE A 44 4.699 25.579 0.707 1.00 74.32 C ATOM 0 H ILE A 44 3.296 23.233 1.156 1.00 50.11 H new ATOM 0 HA ILE A 44 5.986 22.436 0.667 1.00 75.21 H new ATOM 0 HB ILE A 44 4.548 24.009 2.813 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.394 25.669 2.000 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.578 24.570 0.647 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.706 24.390 3.936 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.225 22.678 4.000 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.476 23.208 2.850 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.056 26.402 0.087 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.191 24.846 0.080 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.004 25.962 1.454 1.00 74.32 H new ATOM 677 N PRO A 45 6.474 20.535 2.216 1.00 42.30 N ATOM 678 CA PRO A 45 6.738 19.330 3.006 1.00 74.53 C ATOM 679 C PRO A 45 6.997 19.646 4.476 1.00 40.33 C ATOM 680 O PRO A 45 7.850 20.472 4.803 1.00 40.12 O ATOM 681 CB PRO A 45 7.995 18.746 2.356 1.00 11.42 C ATOM 682 CG PRO A 45 8.672 19.914 1.725 1.00 55.22 C ATOM 683 CD PRO A 45 7.573 20.841 1.285 1.00 3.34 C ATOM 0 HA PRO A 45 5.887 18.649 3.006 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.637 18.268 3.095 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.742 17.987 1.615 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.339 20.407 2.432 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.281 19.601 0.877 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.877 21.885 1.352 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.285 20.659 0.250 1.00 3.34 H new ATOM 691 N LEU A 46 6.256 18.983 5.358 1.00 54.51 N ATOM 692 CA LEU A 46 6.407 19.194 6.794 1.00 11.22 C ATOM 693 C LEU A 46 7.613 18.432 7.332 1.00 63.13 C ATOM 694 O LEU A 46 7.621 17.201 7.362 1.00 34.03 O ATOM 695 CB LEU A 46 5.140 18.750 7.529 1.00 1.32 C ATOM 696 CG LEU A 46 4.328 19.861 8.196 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.610 20.698 7.148 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.333 19.272 9.185 1.00 1.43 C ATOM 0 H LEU A 46 5.546 18.296 5.105 1.00 54.51 H new ATOM 0 HA LEU A 46 6.567 20.258 6.966 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.495 18.232 6.820 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.422 18.025 8.292 1.00 1.32 H new ATOM 0 HG LEU A 46 5.013 20.509 8.743 1.00 64.55 H new ATOM 0 HD11 LEU A 46 3.037 21.484 7.640 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.342 21.148 6.478 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.936 20.062 6.574 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.763 20.076 9.651 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.652 18.602 8.660 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.870 18.716 9.953 1.00 1.43 H new ATOM 710 N ILE A 47 8.631 19.172 7.758 1.00 41.44 N ATOM 711 CA ILE A 47 9.842 18.566 8.299 1.00 1.41 C ATOM 712 C ILE A 47 9.532 17.722 9.530 1.00 65.02 C ATOM 713 O ILE A 47 9.084 18.238 10.554 1.00 61.11 O ATOM 714 CB ILE A 47 10.887 19.634 8.672 1.00 11.35 C ATOM 715 CG1 ILE A 47 11.128 20.578 7.493 1.00 2.10 C ATOM 716 CG2 ILE A 47 12.189 18.974 9.103 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.586 19.871 6.236 1.00 52.21 C ATOM 0 H ILE A 47 8.642 20.192 7.739 1.00 41.44 H new ATOM 0 HA ILE A 47 10.251 17.926 7.517 1.00 1.41 H new ATOM 0 HB ILE A 47 10.504 20.218 9.508 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.208 21.122 7.279 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.877 21.318 7.777 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.917 19.742 9.363 1.00 15.21 H new ATOM 0 HG22 ILE A 47 12.006 18.339 9.970 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.578 18.368 8.285 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.737 20.602 5.442 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.523 19.350 6.433 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.828 19.151 5.927 1.00 52.21 H new ATOM 729 N LYS A 48 9.775 16.420 9.425 1.00 55.44 N ATOM 730 CA LYS A 48 9.526 15.503 10.529 1.00 2.01 C ATOM 731 C LYS A 48 10.557 15.691 11.637 1.00 4.04 C ATOM 732 O LYS A 48 11.752 15.484 11.426 1.00 74.51 O ATOM 733 CB LYS A 48 9.552 14.055 10.033 1.00 32.12 C ATOM 734 CG LYS A 48 8.865 13.077 10.971 1.00 21.33 C ATOM 735 CD LYS A 48 8.816 11.679 10.381 1.00 65.24 C ATOM 736 CE LYS A 48 8.053 10.719 11.282 1.00 55.25 C ATOM 737 NZ LYS A 48 8.321 9.298 10.931 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.145 15.976 8.584 1.00 55.44 H new ATOM 0 HA LYS A 48 8.539 15.724 10.935 1.00 2.01 H new ATOM 0 HB2 LYS A 48 9.072 14.006 9.056 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.588 13.746 9.895 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.394 13.052 11.924 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.852 13.421 11.178 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.342 11.713 9.400 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.831 11.310 10.232 1.00 65.24 H new ATOM 0 HE2 LYS A 48 8.333 10.896 12.321 1.00 55.25 H new ATOM 0 HE3 LYS A 48 6.984 10.918 11.202 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 7.783 8.676 11.567 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 8.030 9.122 9.948 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.337 9.101 11.032 1.00 34.55 H new ATOM 751 N SER A 49 10.088 16.082 12.817 1.00 14.13 N ATOM 752 CA SER A 49 10.970 16.300 13.957 1.00 33.35 C ATOM 753 C SER A 49 11.082 15.037 14.806 1.00 3.20 C ATOM 754 O SER A 49 10.528 13.993 14.463 1.00 64.42 O ATOM 755 CB SER A 49 10.457 17.460 14.812 1.00 31.23 C ATOM 756 OG SER A 49 10.015 18.534 14.001 1.00 51.25 O ATOM 0 H SER A 49 9.101 16.254 13.009 1.00 14.13 H new ATOM 0 HA SER A 49 11.960 16.550 13.576 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.638 17.116 15.444 1.00 31.23 H new ATOM 0 HB3 SER A 49 11.249 17.804 15.477 1.00 31.23 H new ATOM 0 HG SER A 49 10.713 18.762 13.352 1.00 51.25 H new ATOM 762 N HIS A 50 11.803 15.142 15.918 1.00 0.54 N ATOM 763 CA HIS A 50 11.988 14.009 16.819 1.00 22.21 C ATOM 764 C HIS A 50 10.708 13.719 17.597 1.00 65.22 C ATOM 765 O HIS A 50 10.516 12.615 18.104 1.00 14.41 O ATOM 766 CB HIS A 50 13.137 14.285 17.789 1.00 63.12 C ATOM 767 CG HIS A 50 14.490 14.014 17.208 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.282 14.996 16.654 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.192 12.861 17.099 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.411 14.460 16.226 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.383 13.165 16.486 1.00 44.14 N ATOM 0 H HIS A 50 12.268 15.999 16.217 1.00 0.54 H new ATOM 0 HA HIS A 50 12.232 13.134 16.217 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.090 15.326 18.108 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.004 13.672 18.680 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.874 11.884 17.432 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.220 14.990 15.745 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.125 12.500 16.267 1.00 44.14 H new ATOM 779 N ASN A 51 9.836 14.718 17.686 1.00 43.20 N ATOM 780 CA ASN A 51 8.575 14.570 18.403 1.00 41.32 C ATOM 781 C ASN A 51 7.407 14.439 17.429 1.00 42.34 C ATOM 782 O ASN A 51 6.634 13.484 17.496 1.00 61.52 O ATOM 783 CB ASN A 51 8.349 15.765 19.332 1.00 24.42 C ATOM 784 CG ASN A 51 8.683 17.085 18.665 1.00 75.52 C ATOM 785 OD1 ASN A 51 7.822 17.726 18.062 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.940 17.500 18.773 1.00 63.41 N ATOM 0 H ASN A 51 9.980 15.638 17.271 1.00 43.20 H new ATOM 0 HA ASN A 51 8.630 13.660 19.000 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.309 15.778 19.657 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.961 15.648 20.226 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.224 18.382 18.347 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.621 16.937 19.282 1.00 63.41 H new ATOM 793 N ASP A 52 7.287 15.406 16.526 1.00 25.42 N ATOM 794 CA ASP A 52 6.216 15.398 15.537 1.00 63.14 C ATOM 795 C ASP A 52 6.623 16.175 14.289 1.00 70.31 C ATOM 796 O ASP A 52 7.762 16.626 14.170 1.00 74.35 O ATOM 797 CB ASP A 52 4.940 15.998 16.132 1.00 51.42 C ATOM 798 CG ASP A 52 4.551 15.347 17.444 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.042 14.207 17.412 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.755 15.976 18.503 1.00 34.01 O ATOM 0 H ASP A 52 7.918 16.205 16.459 1.00 25.42 H new ATOM 0 HA ASP A 52 6.025 14.363 15.253 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.084 17.067 16.289 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.123 15.887 15.419 1.00 51.42 H new ATOM 805 N PHE A 53 5.685 16.326 13.360 1.00 51.12 N ATOM 806 CA PHE A 53 5.947 17.046 12.119 1.00 12.33 C ATOM 807 C PHE A 53 5.838 18.553 12.331 1.00 22.10 C ATOM 808 O PHE A 53 4.945 19.031 13.030 1.00 32.20 O ATOM 809 CB PHE A 53 4.968 16.601 11.030 1.00 64.40 C ATOM 810 CG PHE A 53 5.220 15.208 10.530 1.00 61.34 C ATOM 811 CD1 PHE A 53 6.092 14.982 9.477 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.586 14.123 11.114 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.327 13.701 9.015 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.816 12.839 10.657 1.00 14.33 C ATOM 815 CZ PHE A 53 5.687 12.628 9.604 1.00 53.35 C ATOM 0 H PHE A 53 4.737 15.960 13.443 1.00 51.12 H new ATOM 0 HA PHE A 53 6.964 16.814 11.801 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.952 16.660 11.420 1.00 64.40 H new ATOM 0 HB3 PHE A 53 5.029 17.296 10.192 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.594 15.817 9.012 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.904 14.283 11.936 1.00 54.43 H new ATOM 0 HE1 PHE A 53 7.010 13.539 8.194 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.316 12.002 11.122 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.867 11.626 9.243 1.00 53.35 H new ATOM 825 N VAL A 54 6.757 19.298 11.723 1.00 33.42 N ATOM 826 CA VAL A 54 6.765 20.751 11.844 1.00 40.41 C ATOM 827 C VAL A 54 7.166 21.409 10.528 1.00 3.45 C ATOM 828 O VAL A 54 8.032 20.910 9.811 1.00 74.24 O ATOM 829 CB VAL A 54 7.728 21.216 12.952 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.378 20.553 14.276 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.169 20.922 12.563 1.00 4.44 C ATOM 0 H VAL A 54 7.505 18.919 11.142 1.00 33.42 H new ATOM 0 HA VAL A 54 5.751 21.053 12.104 1.00 40.41 H new ATOM 0 HB VAL A 54 7.622 22.294 13.074 1.00 62.34 H new ATOM 0 HG11 VAL A 54 8.069 20.893 15.047 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.359 20.819 14.558 1.00 24.21 H new ATOM 0 HG13 VAL A 54 7.455 19.471 14.172 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.836 21.257 13.357 1.00 4.44 H new ATOM 0 HG22 VAL A 54 9.294 19.850 12.413 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.411 21.448 11.640 1.00 4.44 H new ATOM 841 N ALA A 55 6.530 22.535 10.219 1.00 33.42 N ATOM 842 CA ALA A 55 6.822 23.264 8.991 1.00 64.34 C ATOM 843 C ALA A 55 6.903 24.764 9.249 1.00 43.12 C ATOM 844 O ALA A 55 6.075 25.326 9.966 1.00 20.33 O ATOM 845 CB ALA A 55 5.768 22.964 7.935 1.00 75.11 C ATOM 0 H ALA A 55 5.810 22.961 10.802 1.00 33.42 H new ATOM 0 HA ALA A 55 7.793 22.932 8.623 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.999 23.515 7.023 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.761 21.895 7.721 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.788 23.266 8.303 1.00 75.11 H new ATOM 851 N ILE A 56 7.906 25.408 8.662 1.00 4.32 N ATOM 852 CA ILE A 56 8.094 26.844 8.829 1.00 62.15 C ATOM 853 C ILE A 56 7.764 27.594 7.543 1.00 1.24 C ATOM 854 O ILE A 56 8.485 27.492 6.550 1.00 41.11 O ATOM 855 CB ILE A 56 9.538 27.178 9.249 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.888 26.466 10.558 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.713 28.682 9.395 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.440 25.071 10.359 1.00 22.53 C ATOM 0 H ILE A 56 8.601 24.958 8.066 1.00 4.32 H new ATOM 0 HA ILE A 56 7.412 27.162 9.618 1.00 62.15 H new ATOM 0 HB ILE A 56 10.217 26.827 8.472 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.620 27.063 11.103 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.995 26.409 11.181 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.738 28.902 9.692 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.499 29.167 8.443 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.027 29.056 10.155 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.666 24.627 11.329 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.702 24.458 9.842 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.351 25.122 9.763 1.00 22.53 H new ATOM 870 N LEU A 57 6.672 28.351 7.570 1.00 53.34 N ATOM 871 CA LEU A 57 6.247 29.122 6.407 1.00 41.32 C ATOM 872 C LEU A 57 6.768 30.553 6.482 1.00 4.44 C ATOM 873 O LEU A 57 7.291 30.981 7.512 1.00 25.01 O ATOM 874 CB LEU A 57 4.722 29.127 6.304 1.00 22.14 C ATOM 875 CG LEU A 57 4.054 27.760 6.147 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.567 27.854 6.450 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.281 27.214 4.745 1.00 54.43 C ATOM 0 H LEU A 57 6.065 28.447 8.384 1.00 53.34 H new ATOM 0 HA LEU A 57 6.663 28.650 5.517 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.319 29.605 7.197 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.437 29.748 5.454 1.00 22.14 H new ATOM 0 HG LEU A 57 4.506 27.072 6.861 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.109 26.872 6.333 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.425 28.201 7.474 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.099 28.557 5.761 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.799 26.241 4.651 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.856 27.902 4.014 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.351 27.108 4.565 1.00 54.43 H new ATOM 889 N ASP A 58 6.621 31.289 5.386 1.00 22.22 N ATOM 890 CA ASP A 58 7.073 32.675 5.330 1.00 23.10 C ATOM 891 C ASP A 58 5.940 33.599 4.894 1.00 53.11 C ATOM 892 O ASP A 58 5.641 33.715 3.704 1.00 71.11 O ATOM 893 CB ASP A 58 8.255 32.808 4.369 1.00 60.34 C ATOM 894 CG ASP A 58 7.944 32.262 2.989 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.834 31.026 2.851 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.812 33.071 2.046 1.00 31.41 O ATOM 0 H ASP A 58 6.193 30.950 4.525 1.00 22.22 H new ATOM 0 HA ASP A 58 7.392 32.969 6.330 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.536 33.858 4.286 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.115 32.280 4.780 1.00 60.34 H new ATOM 901 N LEU A 59 5.313 34.255 5.864 1.00 12.41 N ATOM 902 CA LEU A 59 4.212 35.168 5.581 1.00 61.11 C ATOM 903 C LEU A 59 4.520 36.569 6.099 1.00 53.10 C ATOM 904 O LEU A 59 5.301 36.755 7.033 1.00 43.12 O ATOM 905 CB LEU A 59 2.919 34.652 6.214 1.00 61.24 C ATOM 906 CG LEU A 59 2.772 33.132 6.297 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.483 32.758 7.011 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.811 32.516 4.906 1.00 1.12 C ATOM 0 H LEU A 59 5.548 34.172 6.853 1.00 12.41 H new ATOM 0 HA LEU A 59 4.085 35.219 4.500 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.844 35.060 7.222 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.077 35.048 5.646 1.00 61.24 H new ATOM 0 HG LEU A 59 3.609 32.736 6.872 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.396 31.673 7.060 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.495 33.167 8.021 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.633 33.166 6.464 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.705 31.434 4.984 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.994 32.918 4.307 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.762 32.754 4.429 1.00 1.12 H new ATOM 920 N PRO A 60 3.891 37.580 5.481 1.00 72.34 N ATOM 921 CA PRO A 60 4.081 38.983 5.864 1.00 43.15 C ATOM 922 C PRO A 60 3.466 39.300 7.223 1.00 50.24 C ATOM 923 O PRO A 60 4.140 39.238 8.250 1.00 44.12 O ATOM 924 CB PRO A 60 3.360 39.755 4.757 1.00 2.43 C ATOM 925 CG PRO A 60 2.339 38.803 4.235 1.00 40.55 C ATOM 926 CD PRO A 60 2.947 37.433 4.361 1.00 50.31 C ATOM 0 HA PRO A 60 5.136 39.240 5.962 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.895 40.661 5.145 1.00 2.43 H new ATOM 0 HB3 PRO A 60 4.052 40.062 3.973 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.413 38.873 4.805 1.00 40.55 H new ATOM 0 HG3 PRO A 60 2.092 39.026 3.197 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.191 36.676 4.569 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.455 37.133 3.444 1.00 50.31 H new ATOM 934 N GLU A 61 2.181 39.642 7.219 1.00 62.44 N ATOM 935 CA GLU A 61 1.475 39.970 8.453 1.00 50.50 C ATOM 936 C GLU A 61 -0.008 40.213 8.183 1.00 12.05 C ATOM 937 O GLU A 61 -0.370 41.013 7.321 1.00 32.42 O ATOM 938 CB GLU A 61 2.095 41.207 9.108 1.00 73.34 C ATOM 939 CG GLU A 61 1.867 41.279 10.609 1.00 52.41 C ATOM 940 CD GLU A 61 0.615 42.055 10.971 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.406 43.144 10.398 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.155 41.573 11.828 1.00 35.02 O1- ATOM 0 H GLU A 61 1.608 39.699 6.377 1.00 62.44 H new ATOM 0 HA GLU A 61 1.569 39.122 9.132 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.167 41.213 8.911 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.680 42.101 8.643 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.793 40.268 11.011 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.730 41.747 11.082 1.00 52.41 H new ATOM 949 N GLY A 62 -0.861 39.517 8.928 1.00 54.52 N ATOM 950 CA GLY A 62 -2.293 39.669 8.755 1.00 52.00 C ATOM 951 C GLY A 62 -3.040 38.361 8.918 1.00 61.55 C ATOM 952 O GLY A 62 -3.009 37.750 9.986 1.00 51.12 O ATOM 0 H GLY A 62 -0.585 38.850 9.649 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.669 40.391 9.480 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.495 40.078 7.765 1.00 52.00 H new ATOM 956 N GLU A 63 -3.714 37.929 7.856 1.00 53.44 N ATOM 957 CA GLU A 63 -4.475 36.685 7.888 1.00 52.42 C ATOM 958 C GLU A 63 -4.191 35.842 6.649 1.00 71.45 C ATOM 959 O GLU A 63 -4.167 36.384 5.544 1.00 35.41 O ATOM 960 CB GLU A 63 -5.973 36.979 7.988 1.00 13.45 C ATOM 961 CG GLU A 63 -6.850 35.773 7.701 1.00 1.11 C ATOM 962 CD GLU A 63 -8.285 35.975 8.148 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.497 36.670 9.164 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.194 35.437 7.484 1.00 35.44 O ATOM 0 H GLU A 63 -3.748 38.422 6.964 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.165 36.122 8.768 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.196 37.350 8.988 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.226 37.776 7.289 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.833 35.562 6.632 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.436 34.899 8.205 1.00 1.11 H new ATOM 971 N HIS A 64 -3.986 34.550 6.855 1.00 3.13 N ATOM 972 CA HIS A 64 -3.706 33.650 5.749 1.00 20.42 C ATOM 973 C HIS A 64 -4.368 32.295 6.009 1.00 42.53 C ATOM 974 O HIS A 64 -4.527 31.856 7.148 1.00 73.42 O ATOM 975 CB HIS A 64 -2.200 33.537 5.507 1.00 3.20 C ATOM 976 CG HIS A 64 -1.453 34.841 5.667 1.00 31.31 C ATOM 977 ND1 HIS A 64 -0.985 35.573 4.591 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.100 35.533 6.788 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.378 36.656 5.054 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.450 36.629 6.416 1.00 51.03 N ATOM 0 H HIS A 64 -4.008 34.104 7.772 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.133 34.054 4.831 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.785 32.805 6.200 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.032 33.155 4.500 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.313 35.239 7.805 1.00 2.30 H new ATOM 0 HE1 HIS A 64 0.091 37.425 4.458 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.067 37.335 7.045 1.00 51.03 H new ATOM 988 N GLN A 65 -4.753 31.639 4.919 1.00 53.30 N ATOM 989 CA GLN A 65 -5.399 30.335 5.002 1.00 30.02 C ATOM 990 C GLN A 65 -4.391 29.212 4.778 1.00 12.33 C ATOM 991 O GLN A 65 -3.331 29.425 4.190 1.00 60.12 O ATOM 992 CB GLN A 65 -6.527 30.235 3.974 1.00 12.55 C ATOM 993 CG GLN A 65 -7.765 31.035 4.350 1.00 10.33 C ATOM 994 CD GLN A 65 -8.893 30.158 4.858 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.049 30.327 4.469 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.562 29.215 5.733 1.00 52.31 N ATOM 0 H GLN A 65 -4.629 31.989 3.969 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.818 30.229 6.003 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.159 30.582 3.008 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.804 29.188 3.852 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.503 31.764 5.117 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.109 31.596 3.481 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -7.591 29.111 6.028 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.279 28.595 6.110 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.729 28.017 5.250 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.852 26.862 5.104 1.00 44.05 C ATOM 1007 C TYR A 66 -4.600 25.568 5.412 1.00 74.13 C ATOM 1008 O TYR A 66 -5.697 25.588 5.972 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.640 26.995 6.028 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.951 26.708 7.480 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.798 27.535 8.206 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.397 25.609 8.124 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.084 27.278 9.533 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.679 25.342 9.450 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.523 26.180 10.150 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.805 25.918 11.471 1.00 4.23 O ATOM 0 H TYR A 66 -5.604 27.823 5.737 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.510 26.826 4.070 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.860 26.313 5.691 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.239 28.005 5.944 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.241 28.394 7.725 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.735 24.952 7.579 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.743 27.933 10.084 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.241 24.482 9.936 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.858 24.949 11.608 1.00 4.23 H new ATOM 1026 N LYS A 67 -3.999 24.443 5.041 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.605 23.138 5.277 1.00 53.24 C ATOM 1028 C LYS A 67 -3.537 22.053 5.375 1.00 15.33 C ATOM 1029 O LYS A 67 -2.424 22.215 4.874 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.589 22.799 4.155 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.438 21.572 4.441 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.227 21.727 5.730 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.273 20.632 5.879 1.00 21.22 C ATOM 1034 NZ LYS A 67 -9.210 20.600 4.722 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.092 24.409 4.575 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.144 23.181 6.224 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.245 23.653 3.988 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.033 22.639 3.231 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.124 21.402 3.612 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -5.797 20.693 4.509 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.546 21.699 6.580 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.715 22.702 5.744 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -7.777 19.666 5.972 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -8.836 20.790 6.799 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -10.153 20.305 5.047 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.271 21.548 4.298 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -8.862 19.925 4.012 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.884 20.945 6.024 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.955 19.832 6.187 1.00 43.24 C ATOM 1050 C PHE A 68 -3.258 18.720 5.186 1.00 51.11 C ATOM 1051 O PHE A 68 -4.408 18.512 4.801 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.029 19.284 7.614 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.308 20.135 8.620 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -0.941 20.335 8.525 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -2.999 20.732 9.662 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.275 21.118 9.450 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.338 21.517 10.589 1.00 25.24 C ATOM 1058 CZ PHE A 68 -0.974 21.708 10.484 1.00 11.45 C ATOM 0 H PHE A 68 -4.801 20.794 6.445 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.947 20.201 5.999 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.075 19.196 7.907 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.608 18.279 7.631 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.389 19.874 7.719 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.065 20.583 9.751 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.791 21.268 9.364 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -2.888 21.980 11.395 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.455 22.318 11.209 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.216 18.010 4.769 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.368 16.920 3.812 1.00 72.31 C ATOM 1070 C PHE A 69 -1.622 15.675 4.283 1.00 34.23 C ATOM 1071 O PHE A 69 -0.395 15.605 4.204 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.854 17.346 2.436 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.553 16.660 1.297 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.935 16.671 1.206 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.826 16.003 0.316 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.581 16.042 0.159 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.467 15.372 -0.734 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.845 15.390 -0.811 1.00 73.11 C ATOM 0 H PHE A 69 -1.257 18.169 5.078 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.429 16.680 3.738 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.975 18.424 2.330 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.786 17.137 2.375 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.515 17.178 1.963 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.748 15.984 0.373 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.659 16.060 0.099 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.890 14.865 -1.493 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.347 14.895 -1.629 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.371 14.692 4.773 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.783 13.449 5.256 1.00 12.31 C ATOM 1090 C VAL A 70 -2.361 12.245 4.521 1.00 74.44 C ATOM 1091 O VAL A 70 -3.578 12.080 4.441 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.010 13.271 6.769 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.236 12.070 7.288 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.616 14.535 7.519 1.00 33.01 C ATOM 0 H VAL A 70 -3.388 14.733 4.846 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.712 13.509 5.062 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.071 13.090 6.941 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.409 11.961 8.359 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.572 11.170 6.772 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.171 12.217 7.106 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.783 14.392 8.587 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.562 14.749 7.342 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.220 15.371 7.166 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.480 11.406 3.987 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.902 10.216 3.259 1.00 43.14 C ATOM 1106 C ASP A 71 -2.925 10.570 2.184 1.00 50.35 C ATOM 1107 O ASP A 71 -3.944 9.897 2.037 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.494 9.186 4.223 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.435 8.525 5.085 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.466 9.213 5.465 1.00 33.12 O1- ATOM 1111 OD2 ASP A 71 -1.576 7.318 5.377 1.00 70.50 O ATOM 0 H ASP A 71 -0.469 11.528 4.045 1.00 1.00 H new ATOM 0 HA ASP A 71 -1.025 9.787 2.774 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.229 9.673 4.864 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.024 8.422 3.654 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.645 11.632 1.435 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.550 12.058 0.383 1.00 61.42 C ATOM 1118 C GLY A 72 -4.954 12.311 0.895 1.00 44.45 C ATOM 1119 O GLY A 72 -5.918 12.252 0.133 1.00 1.33 O ATOM 0 H GLY A 72 -1.808 12.205 1.538 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -3.165 12.968 -0.077 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.582 11.296 -0.396 1.00 61.42 H new ATOM 1123 N GLN A 73 -5.069 12.591 2.190 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.367 12.851 2.802 1.00 43.53 C ATOM 1125 C GLN A 73 -6.394 14.228 3.455 1.00 15.15 C ATOM 1126 O GLN A 73 -5.354 14.768 3.831 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.689 11.775 3.840 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.478 10.602 3.278 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.374 9.952 4.313 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -8.150 8.809 4.714 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.396 10.677 4.750 1.00 65.41 N ATOM 0 H GLN A 73 -4.280 12.643 2.834 1.00 51.05 H new ATOM 0 HA GLN A 73 -7.123 12.826 2.017 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.757 11.404 4.267 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.256 12.226 4.655 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -8.086 10.946 2.441 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.785 9.858 2.884 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.543 11.620 4.390 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -10.034 10.291 5.446 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.590 14.791 3.585 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.752 16.107 4.193 1.00 50.15 C ATOM 1142 C TRP A 74 -8.021 15.987 5.689 1.00 34.22 C ATOM 1143 O TRP A 74 -8.912 15.250 6.112 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.896 16.866 3.516 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.709 17.027 2.037 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -9.129 16.169 1.061 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -8.051 18.108 1.369 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.773 16.654 -0.175 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -8.111 17.842 -0.013 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.420 19.277 1.802 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.563 18.702 -0.961 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.874 20.129 0.860 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.949 19.838 -0.508 1.00 51.10 C ATOM 0 H TRP A 74 -8.461 14.358 3.278 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.824 16.661 4.054 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.832 16.339 3.701 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.989 17.851 3.973 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.662 15.246 1.235 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.970 16.202 -1.068 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.360 19.511 2.855 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.620 18.480 -2.016 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -6.382 21.034 1.184 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -6.514 20.524 -1.220 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.247 16.716 6.485 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.403 16.692 7.934 1.00 44.01 C ATOM 1166 C VAL A 75 -7.246 18.087 8.528 1.00 31.52 C ATOM 1167 O VAL A 75 -6.408 18.872 8.084 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.379 15.748 8.594 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.685 14.300 8.244 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -4.965 16.119 8.173 1.00 31.10 C ATOM 0 H VAL A 75 -6.505 17.331 6.151 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.409 16.325 8.137 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.453 15.859 9.676 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -5.952 13.648 8.719 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.683 14.043 8.599 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.640 14.170 7.163 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.255 15.442 8.648 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.875 16.038 7.090 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.751 17.143 8.479 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.059 18.391 9.535 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.012 19.693 10.191 1.00 74.30 C ATOM 1182 C HIS A 76 -7.406 19.576 11.587 1.00 62.21 C ATOM 1183 O HIS A 76 -7.323 18.484 12.147 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.414 20.295 10.279 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.250 19.708 11.374 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.929 18.514 11.245 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.514 20.156 12.624 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.575 18.255 12.367 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.340 19.235 13.221 1.00 32.15 N ATOM 0 H HIS A 76 -8.759 17.753 9.915 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.380 20.351 9.594 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.330 21.371 10.434 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.923 20.150 9.326 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.144 21.068 13.069 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.191 17.388 12.555 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.711 19.298 14.169 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.986 20.708 12.140 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.387 20.732 13.470 1.00 33.21 C ATOM 1199 C ASP A 77 -7.399 21.201 14.511 1.00 70.34 C ATOM 1200 O ASP A 77 -7.941 22.304 14.434 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.161 21.646 13.484 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.378 22.919 12.690 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.546 23.334 12.542 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -4.379 23.500 12.219 1.00 44.05 O1- ATOM 0 H ASP A 77 -7.049 21.621 11.689 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.076 19.718 13.721 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.914 21.902 14.514 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.306 21.108 13.075 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.662 20.344 15.510 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.610 20.648 16.585 1.00 45.12 C ATOM 1211 C PRO A 78 -8.093 21.735 17.522 1.00 52.21 C ATOM 1212 O PRO A 78 -8.867 22.364 18.244 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.740 19.317 17.331 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.464 18.601 17.052 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.053 19.012 15.665 1.00 33.02 C ATOM 0 HA PRO A 78 -9.555 21.030 16.199 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.880 19.474 18.400 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.599 18.747 16.977 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.699 18.868 17.781 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.601 17.521 17.115 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.969 19.051 15.562 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.419 18.313 14.913 1.00 33.02 H new ATOM 1223 N SER A 79 -6.783 21.951 17.506 1.00 35.34 N ATOM 1224 CA SER A 79 -6.163 22.960 18.357 1.00 5.14 C ATOM 1225 C SER A 79 -6.235 24.338 17.707 1.00 2.34 C ATOM 1226 O SER A 79 -6.264 25.359 18.394 1.00 53.41 O ATOM 1227 CB SER A 79 -4.705 22.593 18.641 1.00 42.01 C ATOM 1228 OG SER A 79 -4.591 21.844 19.838 1.00 3.14 O ATOM 0 H SER A 79 -6.129 21.441 16.913 1.00 35.34 H new ATOM 0 HA SER A 79 -6.712 22.992 19.298 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.303 22.016 17.808 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.107 23.501 18.718 1.00 42.01 H new ATOM 0 HG SER A 79 -3.650 21.621 19.996 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.264 24.358 16.378 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.332 25.611 15.635 1.00 31.11 C ATOM 1236 C GLU A 80 -7.735 25.838 15.078 1.00 4.43 C ATOM 1237 O GLU A 80 -8.513 24.903 14.887 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.313 25.608 14.493 1.00 21.12 C ATOM 1239 CG GLU A 80 -4.064 24.796 14.794 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.320 25.301 16.014 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.497 26.484 16.370 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -2.559 24.512 16.613 1.00 23.05 O ATOM 0 H GLU A 80 -6.241 23.522 15.794 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.096 26.424 16.322 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.787 25.211 13.595 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.024 26.636 14.273 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.342 23.753 14.948 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.400 24.825 13.930 1.00 61.25 H new ATOM 1249 N PRO A 81 -8.066 27.110 14.811 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.375 27.490 14.273 1.00 12.23 C ATOM 1251 C PRO A 81 -9.564 27.035 12.830 1.00 54.22 C ATOM 1252 O PRO A 81 -8.695 27.245 11.983 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.361 29.018 14.354 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.919 29.386 14.315 1.00 44.41 C ATOM 1255 CD PRO A 81 -7.188 28.274 15.013 1.00 34.31 C ATOM 0 HA PRO A 81 -10.193 27.027 14.826 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.906 29.464 13.522 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.835 29.370 15.270 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.572 29.496 13.288 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.746 30.340 14.814 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.199 28.111 14.584 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -7.044 28.490 16.072 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.705 26.411 12.554 1.00 52.51 N ATOM 1264 CA VAL A 82 -11.007 25.928 11.213 1.00 44.45 C ATOM 1265 C VAL A 82 -12.107 26.760 10.564 1.00 64.55 C ATOM 1266 O VAL A 82 -12.952 27.335 11.251 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.441 24.450 11.233 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.374 23.588 11.890 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.776 24.297 11.948 1.00 72.14 C ATOM 0 H VAL A 82 -11.435 26.228 13.242 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.091 26.022 10.629 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.564 24.112 10.204 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.699 22.548 11.895 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.442 23.675 11.332 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.216 23.923 12.915 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.068 23.247 11.953 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.682 24.652 12.974 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.536 24.882 11.430 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.092 26.821 9.236 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.089 27.581 8.493 1.00 1.01 C ATOM 1281 C VAL A 83 -13.946 26.665 7.627 1.00 10.44 C ATOM 1282 O VAL A 83 -13.697 25.463 7.539 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.430 28.648 7.599 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.474 29.509 8.410 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.708 27.991 6.431 1.00 11.55 C ATOM 0 H VAL A 83 -11.399 26.352 8.653 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.723 28.076 9.229 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.211 29.294 7.198 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.018 30.257 7.761 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.022 30.008 9.209 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.695 28.880 8.842 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.248 28.759 5.809 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.936 27.321 6.811 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.422 27.422 5.836 1.00 11.55 H new ATOM 1295 N THR A 84 -14.958 27.243 6.986 1.00 44.21 N ATOM 1296 CA THR A 84 -15.853 26.478 6.126 1.00 74.32 C ATOM 1297 C THR A 84 -15.933 27.092 4.733 1.00 53.33 C ATOM 1298 O THR A 84 -16.591 28.113 4.531 1.00 51.12 O ATOM 1299 CB THR A 84 -17.272 26.397 6.722 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.212 26.528 8.147 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.938 25.081 6.355 1.00 25.03 C ATOM 0 H THR A 84 -15.178 28.237 7.046 1.00 44.21 H new ATOM 0 HA THR A 84 -15.440 25.472 6.054 1.00 74.32 H new ATOM 0 HB THR A 84 -17.865 27.213 6.308 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.117 26.477 8.519 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.938 25.047 6.787 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.008 24.999 5.270 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.346 24.253 6.744 1.00 25.03 H new ATOM 1309 N SER A 85 -15.261 26.464 3.774 1.00 12.31 N ATOM 1310 CA SER A 85 -15.254 26.950 2.400 1.00 62.15 C ATOM 1311 C SER A 85 -16.635 26.812 1.768 1.00 62.25 C ATOM 1312 O SER A 85 -17.502 26.114 2.294 1.00 25.40 O ATOM 1313 CB SER A 85 -14.221 26.184 1.570 1.00 73.20 C ATOM 1314 OG SER A 85 -12.908 26.643 1.840 1.00 45.01 O ATOM 0 H SER A 85 -14.714 25.616 3.924 1.00 12.31 H new ATOM 0 HA SER A 85 -14.985 28.006 2.416 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.290 25.119 1.791 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.441 26.304 0.509 1.00 73.20 H new ATOM 0 HG SER A 85 -12.267 26.137 1.299 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.831 27.481 0.636 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.106 27.433 -0.068 1.00 2.41 C ATOM 1322 C GLN A 86 -18.437 26.009 -0.502 1.00 50.10 C ATOM 1323 O GLN A 86 -19.602 25.663 -0.698 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.075 28.356 -1.287 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.048 29.833 -0.932 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.241 30.254 -0.096 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.295 30.602 -0.628 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.081 30.223 1.222 1.00 50.44 N ATOM 0 H GLN A 86 -16.123 28.062 0.187 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.882 27.773 0.617 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.198 28.120 -1.889 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -18.950 28.156 -1.906 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.131 30.055 -0.387 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.025 30.423 -1.848 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -18.190 29.928 1.621 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -19.849 30.494 1.836 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.403 25.187 -0.649 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.583 23.799 -1.061 1.00 32.15 C ATOM 1339 C LEU A 87 -18.083 22.947 0.102 1.00 71.20 C ATOM 1340 O LEU A 87 -18.569 21.834 -0.095 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.267 23.230 -1.596 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.389 22.048 -2.557 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -16.923 22.508 -3.904 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -15.044 21.354 -2.723 1.00 21.21 C ATOM 0 H LEU A 87 -16.433 25.457 -0.489 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.331 23.775 -1.854 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.728 24.030 -2.103 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.656 22.921 -0.748 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.095 21.333 -2.135 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -17.003 21.653 -4.575 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -17.907 22.958 -3.771 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -16.243 23.243 -4.333 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -15.150 20.515 -3.411 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -14.317 22.061 -3.122 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -14.701 20.989 -1.755 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.962 23.479 1.314 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.407 22.755 2.490 1.00 24.33 C ATOM 1358 C GLY A 88 -17.287 21.975 3.150 1.00 1.42 C ATOM 1359 O GLY A 88 -17.536 21.071 3.948 1.00 3.52 O ATOM 0 H GLY A 88 -17.564 24.399 1.503 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.828 23.459 3.208 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.207 22.069 2.210 1.00 24.33 H new ATOM 1363 N THR A 89 -16.049 22.325 2.817 1.00 71.55 N ATOM 1364 CA THR A 89 -14.887 21.650 3.381 1.00 55.20 C ATOM 1365 C THR A 89 -14.321 22.426 4.564 1.00 10.24 C ATOM 1366 O THR A 89 -14.295 23.657 4.555 1.00 41.43 O ATOM 1367 CB THR A 89 -13.779 21.464 2.327 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.167 22.725 2.032 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.343 20.858 1.050 1.00 71.24 C ATOM 0 H THR A 89 -15.825 23.072 2.160 1.00 71.55 H new ATOM 0 HA THR A 89 -15.224 20.671 3.720 1.00 55.20 H new ATOM 0 HB THR A 89 -13.031 20.784 2.734 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.463 22.598 1.363 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.542 20.736 0.321 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.783 19.886 1.272 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.109 21.518 0.641 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.868 21.699 5.580 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.301 22.321 6.771 1.00 62.33 C ATOM 1379 C ILE A 90 -11.820 22.625 6.579 1.00 55.32 C ATOM 1380 O ILE A 90 -10.985 21.721 6.573 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.473 21.424 8.010 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.949 21.068 8.209 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.919 22.116 9.247 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.823 22.265 8.509 1.00 10.43 C ATOM 0 H ILE A 90 -13.882 20.679 5.603 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.843 23.253 6.930 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.914 20.502 7.852 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.320 20.573 7.311 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -15.035 20.352 9.026 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -13.048 21.469 10.115 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.859 22.323 9.104 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.453 23.052 9.410 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.855 21.939 8.638 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.478 22.747 9.423 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.767 22.973 7.682 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.499 23.905 6.424 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.116 24.329 6.233 1.00 52.40 C ATOM 1398 C ASN A 91 -9.545 24.917 7.519 1.00 14.34 C ATOM 1399 O ASN A 91 -10.216 24.950 8.551 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.028 25.360 5.105 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.800 24.716 3.750 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.690 23.495 3.642 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.728 25.538 2.710 1.00 51.12 N ATOM 0 H ASN A 91 -12.177 24.667 6.427 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.527 23.452 5.962 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.948 25.943 5.077 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.216 26.056 5.315 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.576 25.164 1.774 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.825 26.544 2.847 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.302 25.382 7.451 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.640 25.970 8.610 1.00 25.44 C ATOM 1412 C ASN A 92 -7.254 27.421 8.338 1.00 42.41 C ATOM 1413 O ASN A 92 -6.792 27.758 7.247 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.397 25.159 8.978 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.642 23.664 8.919 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.827 22.911 8.385 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.770 23.228 9.467 1.00 64.12 N ATOM 0 H ASN A 92 -7.732 25.363 6.605 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.339 25.950 9.446 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.584 25.418 8.300 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.073 25.432 9.982 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.991 22.232 9.456 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.416 23.889 9.899 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.445 28.275 9.338 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.116 29.690 9.208 1.00 13.40 C ATOM 1426 C LEU A 93 -6.000 30.080 10.171 1.00 33.45 C ATOM 1427 O LEU A 93 -6.083 29.819 11.372 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.354 30.549 9.471 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.115 32.053 9.595 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.547 32.612 8.300 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.404 32.770 9.967 1.00 44.50 C ATOM 0 H LEU A 93 -7.826 28.012 10.247 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.770 29.864 8.189 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.066 30.380 8.663 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.825 30.200 10.390 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.388 32.221 10.389 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.383 33.684 8.407 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.600 32.121 8.076 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.250 32.432 7.487 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.214 33.840 10.051 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.154 32.594 9.196 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.769 32.391 10.921 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.957 30.708 9.637 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.826 31.137 10.451 1.00 23.02 C ATOM 1445 C ILE A 94 -3.606 32.641 10.337 1.00 33.42 C ATOM 1446 O ILE A 94 -3.644 33.204 9.241 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.531 30.407 10.045 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.355 30.900 10.891 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.249 30.615 8.564 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.369 29.810 11.247 1.00 55.11 C ATOM 0 H ILE A 94 -4.872 30.931 8.645 1.00 72.12 H new ATOM 0 HA ILE A 94 -4.067 30.885 11.484 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.661 29.340 10.224 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.833 31.688 10.349 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.739 31.345 11.809 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.331 30.094 8.292 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.078 30.221 7.977 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.135 31.680 8.361 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.438 30.231 11.847 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.877 29.032 11.817 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.044 29.380 10.334 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.373 33.289 11.474 1.00 31.02 N ATOM 1463 CA HIS A 95 -3.144 34.728 11.502 1.00 3.12 C ATOM 1464 C HIS A 95 -1.704 35.042 11.898 1.00 23.15 C ATOM 1465 O HIS A 95 -1.126 34.373 12.756 1.00 22.42 O ATOM 1466 CB HIS A 95 -4.111 35.402 12.476 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.551 35.256 12.087 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.593 35.497 12.956 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -6.117 34.891 10.913 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.740 35.287 12.335 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.479 34.918 11.093 1.00 25.13 N ATOM 0 H HIS A 95 -3.338 32.839 12.389 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.320 35.118 10.499 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.967 34.979 13.470 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.867 36.462 12.543 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.494 35.792 13.927 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.596 34.628 10.005 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.723 35.398 12.768 1.00 35.13 H new ATOM 1479 N VAL A 96 -1.131 36.062 11.269 1.00 71.41 N ATOM 1480 CA VAL A 96 0.241 36.464 11.556 1.00 30.12 C ATOM 1481 C VAL A 96 0.287 37.851 12.188 1.00 32.13 C ATOM 1482 O VAL A 96 -0.457 38.749 11.794 1.00 62.43 O ATOM 1483 CB VAL A 96 1.105 36.465 10.280 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.527 36.902 10.598 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.094 35.091 9.628 1.00 60.41 C ATOM 0 H VAL A 96 -1.595 36.626 10.557 1.00 71.41 H new ATOM 0 HA VAL A 96 0.644 35.734 12.258 1.00 30.12 H new ATOM 0 HB VAL A 96 0.680 37.180 9.575 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.122 36.896 9.685 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.513 37.908 11.016 1.00 62.50 H new ATOM 0 HG13 VAL A 96 2.966 36.215 11.321 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.709 35.110 8.728 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.493 34.354 10.325 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.071 34.822 9.363 1.00 60.41 H new ATOM 1495 N LYS A 97 1.165 38.018 13.171 1.00 13.43 N ATOM 1496 CA LYS A 97 1.311 39.296 13.858 1.00 32.32 C ATOM 1497 C LYS A 97 2.773 39.724 13.906 1.00 33.23 C ATOM 1498 O LYS A 97 3.668 38.896 14.083 1.00 53.25 O ATOM 1499 CB LYS A 97 0.749 39.201 15.278 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.712 38.786 15.329 1.00 24.53 C ATOM 1501 CD LYS A 97 -1.637 39.982 15.175 1.00 41.45 C ATOM 1502 CE LYS A 97 -2.945 39.592 14.504 1.00 62.22 C ATOM 1503 NZ LYS A 97 -2.866 39.714 13.022 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.787 37.284 13.510 1.00 13.43 H new ATOM 0 HA LYS A 97 0.750 40.046 13.301 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.341 38.484 15.847 1.00 23.44 H new ATOM 0 HB3 LYS A 97 0.861 40.168 15.769 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.914 38.064 14.538 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.916 38.286 16.276 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.844 40.412 16.155 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -1.141 40.754 14.586 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -3.198 38.566 14.771 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -3.748 40.226 14.878 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -3.646 39.181 12.588 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -2.938 40.716 12.752 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -1.958 39.331 12.690 1.00 53.42 H new ATOM 1517 N LYS A 98 3.011 41.022 13.751 1.00 54.02 N ATOM 1518 CA LYS A 98 4.365 41.562 13.779 1.00 54.22 C ATOM 1519 C LYS A 98 4.932 41.535 15.195 1.00 33.52 C ATOM 1520 O LYS A 98 4.545 42.339 16.044 1.00 54.13 O ATOM 1521 CB LYS A 98 4.376 42.994 13.240 1.00 72.45 C ATOM 1522 CG LYS A 98 5.765 43.605 13.165 1.00 22.24 C ATOM 1523 CD LYS A 98 6.420 43.336 11.821 1.00 61.03 C ATOM 1524 CE LYS A 98 7.307 42.101 11.869 1.00 12.11 C ATOM 1525 NZ LYS A 98 8.692 42.429 12.308 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.282 41.721 13.604 1.00 54.02 H new ATOM 0 HA LYS A 98 4.992 40.937 13.144 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.930 43.002 12.245 1.00 72.45 H new ATOM 0 HB3 LYS A 98 3.748 43.618 13.876 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.700 44.680 13.330 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.387 43.197 13.962 1.00 22.24 H new ATOM 0 HD2 LYS A 98 5.651 43.203 11.060 1.00 61.03 H new ATOM 0 HD3 LYS A 98 7.014 44.201 11.525 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.874 41.369 12.551 1.00 12.11 H new ATOM 0 HE3 LYS A 98 7.339 41.638 10.883 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 9.265 41.561 12.328 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 9.115 43.108 11.644 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 8.665 42.847 13.260 1.00 62.45 H new