USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 83 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 79 THR OG1 : rot 180:sc= -0.723 USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 67 TYR OH : rot -42:sc= 0.811 USER MOD Set 4.2: A 98 GLN : amide:sc= 0.94 K(o=1.8,f=-2.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.1) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.232 F(o=-0.74,f=-0.23) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.8) USER MOD Single : A 45 GLN : amide:sc= -3.15! C(o=-3.1!,f=-4.8!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.411 (180deg=-0.72) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.301 K(o=-0.3,f=-3.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -1:sc= 0.52! USER MOD Single : A 87 THR OG1 : rot 33:sc= 0.48 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.122 (180deg=-0.655) USER MOD Single : A 94 ASN : amide:sc= -0.0263 K(o=-0.026,f=-2!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.121 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N CYS A 18 -17.671 22.934 -19.753 1.00 54.54 N ATOM 269 CA CYS A 18 -18.090 22.384 -21.036 1.00 32.05 C ATOM 270 C CYS A 18 -19.304 21.475 -20.867 1.00 24.40 C ATOM 271 O CYS A 18 -20.164 21.400 -21.744 1.00 61.31 O ATOM 272 CB CYS A 18 -16.943 21.606 -21.681 1.00 42.44 C ATOM 273 SG CYS A 18 -16.717 21.949 -23.456 1.00 62.04 S ATOM 0 HA CYS A 18 -18.367 23.214 -21.686 1.00 32.05 H new ATOM 0 HB2 CYS A 18 -16.018 21.842 -21.156 1.00 42.44 H new ATOM 0 HB3 CYS A 18 -17.122 20.539 -21.548 1.00 42.44 H new ATOM 279 N SER A 19 -19.366 20.785 -19.732 1.00 71.11 N ATOM 280 CA SER A 19 -20.472 19.878 -19.449 1.00 44.03 C ATOM 281 C SER A 19 -20.378 18.621 -20.309 1.00 50.23 C ATOM 282 O SER A 19 -20.110 17.530 -19.806 1.00 22.01 O ATOM 283 CB SER A 19 -21.810 20.578 -19.694 1.00 43.24 C ATOM 284 OG SER A 19 -22.854 19.947 -18.973 1.00 35.01 O ATOM 0 H SER A 19 -18.664 20.837 -18.994 1.00 71.11 H new ATOM 0 HA SER A 19 -20.410 19.586 -18.401 1.00 44.03 H new ATOM 0 HB2 SER A 19 -21.737 21.624 -19.395 1.00 43.24 H new ATOM 0 HB3 SER A 19 -22.041 20.566 -20.759 1.00 43.24 H new ATOM 0 HG SER A 19 -23.699 20.414 -19.145 1.00 35.01 H new ATOM 290 N GLU A 20 -20.599 18.783 -21.610 1.00 15.42 N ATOM 291 CA GLU A 20 -20.541 17.662 -22.540 1.00 73.12 C ATOM 292 C GLU A 20 -19.145 17.529 -23.144 1.00 45.22 C ATOM 293 O GLU A 20 -18.914 17.910 -24.291 1.00 12.22 O ATOM 294 CB GLU A 20 -21.574 17.841 -23.654 1.00 24.10 C ATOM 295 CG GLU A 20 -23.009 17.868 -23.154 1.00 65.25 C ATOM 296 CD GLU A 20 -23.641 16.490 -23.120 1.00 23.12 C ATOM 297 OE1 GLU A 20 -24.198 16.066 -24.154 1.00 20.15 O ATOM 298 OE2 GLU A 20 -23.578 15.835 -22.058 1.00 61.31 O ATOM 0 H GLU A 20 -20.820 19.680 -22.043 1.00 15.42 H new ATOM 0 HA GLU A 20 -20.768 16.751 -21.986 1.00 73.12 H new ATOM 0 HB2 GLU A 20 -21.366 18.770 -24.186 1.00 24.10 H new ATOM 0 HB3 GLU A 20 -21.464 17.030 -24.374 1.00 24.10 H new ATOM 0 HG2 GLU A 20 -23.033 18.299 -22.153 1.00 65.25 H new ATOM 0 HG3 GLU A 20 -23.601 18.520 -23.796 1.00 65.25 H new ATOM 305 N TRP A 21 -18.219 16.985 -22.362 1.00 13.14 N ATOM 306 CA TRP A 21 -16.846 16.802 -22.818 1.00 54.40 C ATOM 307 C TRP A 21 -16.762 15.694 -23.861 1.00 11.00 C ATOM 308 O TRP A 21 -17.103 14.544 -23.586 1.00 31.44 O ATOM 309 CB TRP A 21 -15.933 16.475 -21.635 1.00 3.23 C ATOM 310 CG TRP A 21 -15.258 17.681 -21.055 1.00 23.02 C ATOM 311 CD1 TRP A 21 -15.830 18.643 -20.270 1.00 24.20 C ATOM 312 CD2 TRP A 21 -13.885 18.055 -21.214 1.00 60.12 C ATOM 313 NE1 TRP A 21 -14.894 19.591 -19.933 1.00 0.22 N ATOM 314 CE2 TRP A 21 -13.693 19.253 -20.499 1.00 31.44 C ATOM 315 CE3 TRP A 21 -12.799 17.493 -21.889 1.00 75.13 C ATOM 316 CZ2 TRP A 21 -12.461 19.897 -20.443 1.00 13.42 C ATOM 317 CZ3 TRP A 21 -11.575 18.134 -21.833 1.00 34.55 C ATOM 318 CH2 TRP A 21 -11.415 19.325 -21.114 1.00 44.14 C ATOM 0 H TRP A 21 -18.394 16.663 -21.410 1.00 13.14 H new ATOM 0 HA TRP A 21 -16.515 17.734 -23.277 1.00 54.40 H new ATOM 0 HB2 TRP A 21 -16.519 15.986 -20.857 1.00 3.23 H new ATOM 0 HB3 TRP A 21 -15.174 15.762 -21.957 1.00 3.23 H new ATOM 0 HD1 TRP A 21 -16.865 18.656 -19.960 1.00 24.20 H new ATOM 0 HE1 TRP A 21 -15.066 20.414 -19.355 1.00 0.22 H new ATOM 0 HE3 TRP A 21 -12.913 16.574 -22.445 1.00 75.13 H new ATOM 0 HZ2 TRP A 21 -12.335 20.816 -19.890 1.00 13.42 H new ATOM 0 HZ3 TRP A 21 -10.729 17.709 -22.352 1.00 34.55 H new ATOM 0 HH2 TRP A 21 -10.446 19.802 -21.089 1.00 44.14 H new ATOM 329 N GLN A 22 -16.307 16.048 -25.059 1.00 42.01 N ATOM 330 CA GLN A 22 -16.180 15.081 -26.144 1.00 0.15 C ATOM 331 C GLN A 22 -14.924 14.233 -25.973 1.00 12.14 C ATOM 332 O GLN A 22 -13.820 14.668 -26.302 1.00 13.42 O ATOM 333 CB GLN A 22 -16.146 15.799 -27.494 1.00 1.31 C ATOM 334 CG GLN A 22 -17.335 16.717 -27.725 1.00 64.20 C ATOM 335 CD GLN A 22 -18.648 15.964 -27.791 1.00 34.25 C ATOM 336 OE1 GLN A 22 -18.671 14.734 -27.854 1.00 52.21 O ATOM 337 NE2 GLN A 22 -19.755 16.699 -27.778 1.00 52.03 N ATOM 0 H GLN A 22 -16.020 16.996 -25.303 1.00 42.01 H new ATOM 0 HA GLN A 22 -17.048 14.422 -26.113 1.00 0.15 H new ATOM 0 HB2 GLN A 22 -15.228 16.383 -27.563 1.00 1.31 H new ATOM 0 HB3 GLN A 22 -16.111 15.056 -28.291 1.00 1.31 H new ATOM 0 HG2 GLN A 22 -17.382 17.453 -26.922 1.00 64.20 H new ATOM 0 HG3 GLN A 22 -17.189 17.268 -28.654 1.00 64.20 H new ATOM 0 HE21 GLN A 22 -19.692 17.716 -27.725 1.00 52.03 H new ATOM 0 HE22 GLN A 22 -20.668 16.247 -27.821 1.00 52.03 H new ATOM 346 N TYR A 23 -15.100 13.022 -25.456 1.00 70.43 N ATOM 347 CA TYR A 23 -13.980 12.114 -25.240 1.00 44.45 C ATOM 348 C TYR A 23 -13.620 11.376 -26.525 1.00 42.25 C ATOM 349 O TYR A 23 -14.485 11.080 -27.348 1.00 52.32 O ATOM 350 CB TYR A 23 -14.318 11.107 -24.138 1.00 14.41 C ATOM 351 CG TYR A 23 -14.988 11.729 -22.934 1.00 34.53 C ATOM 352 CD1 TYR A 23 -14.386 12.773 -22.241 1.00 25.11 C ATOM 353 CD2 TYR A 23 -16.224 11.274 -22.490 1.00 50.31 C ATOM 354 CE1 TYR A 23 -14.995 13.343 -21.141 1.00 2.51 C ATOM 355 CE2 TYR A 23 -16.840 11.841 -21.391 1.00 63.10 C ATOM 356 CZ TYR A 23 -16.222 12.874 -20.719 1.00 35.41 C ATOM 357 OH TYR A 23 -16.832 13.440 -19.623 1.00 23.12 O ATOM 0 H TYR A 23 -16.007 12.647 -25.179 1.00 70.43 H new ATOM 0 HA TYR A 23 -13.120 12.707 -24.931 1.00 44.45 H new ATOM 0 HB2 TYR A 23 -14.971 10.337 -24.549 1.00 14.41 H new ATOM 0 HB3 TYR A 23 -13.402 10.611 -23.818 1.00 14.41 H new ATOM 0 HD1 TYR A 23 -13.426 13.144 -22.569 1.00 25.11 H new ATOM 0 HD2 TYR A 23 -16.711 10.464 -23.013 1.00 50.31 H new ATOM 0 HE1 TYR A 23 -14.513 14.153 -20.613 1.00 2.51 H new ATOM 0 HE2 TYR A 23 -17.801 11.477 -21.060 1.00 63.10 H new ATOM 0 HH TYR A 23 -17.690 12.995 -19.460 1.00 23.12 H new ATOM 367 N GLY A 24 -12.333 11.081 -26.690 1.00 53.03 N ATOM 368 CA GLY A 24 -11.879 10.380 -27.877 1.00 21.13 C ATOM 369 C GLY A 24 -11.846 8.877 -27.685 1.00 64.20 C ATOM 370 O GLY A 24 -12.255 8.366 -26.641 1.00 54.43 O ATOM 0 H GLY A 24 -11.598 11.315 -26.023 1.00 53.03 H new ATOM 0 HA2 GLY A 24 -12.536 10.622 -28.712 1.00 21.13 H new ATOM 0 HA3 GLY A 24 -10.882 10.731 -28.144 1.00 21.13 H new ATOM 374 N LYS A 25 -11.360 8.164 -28.695 1.00 21.43 N ATOM 375 CA LYS A 25 -11.276 6.709 -28.635 1.00 13.13 C ATOM 376 C LYS A 25 -10.399 6.263 -27.468 1.00 22.25 C ATOM 377 O LYS A 25 -9.545 7.014 -26.998 1.00 71.24 O ATOM 378 CB LYS A 25 -10.717 6.155 -29.947 1.00 14.24 C ATOM 379 CG LYS A 25 -9.210 6.293 -30.073 1.00 42.01 C ATOM 380 CD LYS A 25 -8.805 7.723 -30.388 1.00 52.25 C ATOM 381 CE LYS A 25 -8.265 8.435 -29.157 1.00 4.13 C ATOM 382 NZ LYS A 25 -7.153 9.364 -29.496 1.00 5.42 N ATOM 0 H LYS A 25 -11.018 8.570 -29.566 1.00 21.43 H new ATOM 0 HA LYS A 25 -12.282 6.318 -28.482 1.00 13.13 H new ATOM 0 HB2 LYS A 25 -10.985 5.102 -30.030 1.00 14.24 H new ATOM 0 HB3 LYS A 25 -11.192 6.672 -30.781 1.00 14.24 H new ATOM 0 HG2 LYS A 25 -8.736 5.976 -29.144 1.00 42.01 H new ATOM 0 HG3 LYS A 25 -8.847 5.630 -30.858 1.00 42.01 H new ATOM 0 HD2 LYS A 25 -8.047 7.723 -31.171 1.00 52.25 H new ATOM 0 HD3 LYS A 25 -9.665 8.268 -30.777 1.00 52.25 H new ATOM 0 HE2 LYS A 25 -9.070 8.992 -28.678 1.00 4.13 H new ATOM 0 HE3 LYS A 25 -7.914 7.697 -28.435 1.00 4.13 H new ATOM 0 HZ1 LYS A 25 -6.813 9.829 -28.630 1.00 5.42 H new ATOM 0 HZ2 LYS A 25 -6.374 8.829 -29.930 1.00 5.42 H new ATOM 0 HZ3 LYS A 25 -7.494 10.084 -30.165 1.00 5.42 H new ATOM 396 N CYS A 26 -10.618 5.037 -27.006 1.00 62.23 N ATOM 397 CA CYS A 26 -9.848 4.489 -25.895 1.00 75.23 C ATOM 398 C CYS A 26 -8.818 3.479 -26.393 1.00 73.43 C ATOM 399 O CYS A 26 -9.168 2.385 -26.835 1.00 4.32 O ATOM 400 CB CYS A 26 -10.779 3.826 -24.880 1.00 25.24 C ATOM 401 SG CYS A 26 -12.027 4.948 -24.172 1.00 30.12 S ATOM 0 H CYS A 26 -11.323 4.403 -27.384 1.00 62.23 H new ATOM 0 HA CYS A 26 -9.320 5.311 -25.411 1.00 75.23 H new ATOM 0 HB2 CYS A 26 -11.288 2.991 -25.361 1.00 25.24 H new ATOM 0 HB3 CYS A 26 -10.179 3.410 -24.071 1.00 25.24 H new ATOM 407 N VAL A 27 -7.544 3.855 -26.319 1.00 23.23 N ATOM 408 CA VAL A 27 -6.463 2.982 -26.759 1.00 71.51 C ATOM 409 C VAL A 27 -5.601 2.537 -25.583 1.00 63.30 C ATOM 410 O VAL A 27 -5.105 3.350 -24.802 1.00 75.23 O ATOM 411 CB VAL A 27 -5.569 3.678 -27.802 1.00 14.23 C ATOM 412 CG1 VAL A 27 -5.224 5.089 -27.351 1.00 53.02 C ATOM 413 CG2 VAL A 27 -4.308 2.866 -28.051 1.00 5.20 C ATOM 0 H VAL A 27 -7.236 4.758 -25.958 1.00 23.23 H new ATOM 0 HA VAL A 27 -6.928 2.108 -27.215 1.00 71.51 H new ATOM 0 HB VAL A 27 -6.120 3.746 -28.740 1.00 14.23 H new ATOM 0 HG11 VAL A 27 -4.592 5.566 -28.100 1.00 53.02 H new ATOM 0 HG12 VAL A 27 -6.140 5.666 -27.229 1.00 53.02 H new ATOM 0 HG13 VAL A 27 -4.692 5.047 -26.400 1.00 53.02 H new ATOM 0 HG21 VAL A 27 -3.689 3.373 -28.791 1.00 5.20 H new ATOM 0 HG22 VAL A 27 -3.751 2.764 -27.120 1.00 5.20 H new ATOM 0 HG23 VAL A 27 -4.579 1.877 -28.421 1.00 5.20 H new ATOM 423 N PRO A 28 -5.417 1.215 -25.451 1.00 63.20 N ATOM 424 CA PRO A 28 -4.614 0.632 -24.372 1.00 64.30 C ATOM 425 C PRO A 28 -3.125 0.922 -24.536 1.00 24.34 C ATOM 426 O PRO A 28 -2.655 1.196 -25.639 1.00 23.51 O ATOM 427 CB PRO A 28 -4.883 -0.870 -24.501 1.00 11.35 C ATOM 428 CG PRO A 28 -5.260 -1.066 -25.929 1.00 53.23 C ATOM 429 CD PRO A 28 -5.979 0.188 -26.343 1.00 75.44 C ATOM 0 HA PRO A 28 -4.879 1.044 -23.398 1.00 64.30 H new ATOM 0 HB2 PRO A 28 -4.000 -1.454 -24.241 1.00 11.35 H new ATOM 0 HB3 PRO A 28 -5.684 -1.188 -23.833 1.00 11.35 H new ATOM 0 HG2 PRO A 28 -4.377 -1.232 -26.547 1.00 53.23 H new ATOM 0 HG3 PRO A 28 -5.900 -1.940 -26.047 1.00 53.23 H new ATOM 0 HD2 PRO A 28 -5.801 0.426 -27.392 1.00 75.44 H new ATOM 0 HD3 PRO A 28 -7.057 0.093 -26.217 1.00 75.44 H new ATOM 437 N ASN A 29 -2.390 0.858 -23.431 1.00 52.15 N ATOM 438 CA ASN A 29 -0.954 1.114 -23.454 1.00 43.30 C ATOM 439 C ASN A 29 -0.199 0.046 -22.667 1.00 32.30 C ATOM 440 O ASN A 29 0.699 -0.610 -23.196 1.00 11.13 O ATOM 441 CB ASN A 29 -0.653 2.497 -22.874 1.00 51.23 C ATOM 442 CG ASN A 29 -0.939 3.612 -23.862 1.00 22.44 C ATOM 443 OD1 ASN A 29 -2.218 3.833 -24.148 1.00 53.13 O flip ATOM 444 ND2 ASN A 29 -0.024 4.266 -24.360 1.00 54.03 N flip ATOM 0 H ASN A 29 -2.764 0.631 -22.509 1.00 52.15 H new ATOM 0 HA ASN A 29 -0.620 1.081 -24.491 1.00 43.30 H new ATOM 0 HB2 ASN A 29 -1.251 2.649 -21.975 1.00 51.23 H new ATOM 0 HB3 ASN A 29 0.393 2.542 -22.572 1.00 51.23 H new ATOM 0 HD21 ASN A 29 0.944 4.061 -24.111 1.00 54.03 H new ATOM 0 HD22 ASN A 29 -0.233 5.013 -25.022 1.00 54.03 H new ATOM 451 N SER A 30 -0.571 -0.123 -21.402 1.00 63.32 N ATOM 452 CA SER A 30 0.073 -1.109 -20.542 1.00 41.24 C ATOM 453 C SER A 30 -0.528 -2.495 -20.760 1.00 63.24 C ATOM 454 O SER A 30 -1.106 -3.083 -19.847 1.00 61.00 O ATOM 455 CB SER A 30 -0.068 -0.705 -19.074 1.00 43.42 C ATOM 456 OG SER A 30 0.837 -1.428 -18.257 1.00 11.32 O ATOM 0 H SER A 30 -1.314 0.410 -20.950 1.00 63.32 H new ATOM 0 HA SER A 30 1.131 -1.146 -20.801 1.00 41.24 H new ATOM 0 HB2 SER A 30 0.116 0.364 -18.968 1.00 43.42 H new ATOM 0 HB3 SER A 30 -1.089 -0.887 -18.740 1.00 43.42 H new ATOM 0 HG SER A 30 0.728 -1.151 -17.323 1.00 11.32 H new ATOM 462 N GLY A 31 -0.384 -3.011 -21.977 1.00 35.44 N ATOM 463 CA GLY A 31 -0.918 -4.322 -22.294 1.00 73.35 C ATOM 464 C GLY A 31 -1.711 -4.329 -23.586 1.00 13.05 C ATOM 465 O GLY A 31 -2.173 -3.283 -24.044 1.00 62.42 O ATOM 0 H GLY A 31 0.093 -2.544 -22.749 1.00 35.44 H new ATOM 0 HA2 GLY A 31 -0.098 -5.036 -22.371 1.00 73.35 H new ATOM 0 HA3 GLY A 31 -1.557 -4.658 -21.477 1.00 73.35 H new ATOM 469 N ASP A 32 -1.870 -5.510 -24.175 1.00 54.34 N ATOM 470 CA ASP A 32 -2.613 -5.648 -25.422 1.00 53.51 C ATOM 471 C ASP A 32 -3.990 -5.002 -25.309 1.00 4.40 C ATOM 472 O ASP A 32 -4.442 -4.314 -26.224 1.00 54.04 O ATOM 473 CB ASP A 32 -2.757 -7.125 -25.794 1.00 41.54 C ATOM 474 CG ASP A 32 -3.749 -7.344 -26.917 1.00 61.45 C ATOM 475 OD1 ASP A 32 -3.601 -6.697 -27.975 1.00 61.24 O ATOM 476 OD2 ASP A 32 -4.675 -8.164 -26.740 1.00 73.43 O ATOM 0 H ASP A 32 -1.494 -6.385 -23.809 1.00 54.34 H new ATOM 0 HA ASP A 32 -2.056 -5.137 -26.207 1.00 53.51 H new ATOM 0 HB2 ASP A 32 -1.785 -7.519 -26.090 1.00 41.54 H new ATOM 0 HB3 ASP A 32 -3.075 -7.688 -24.917 1.00 41.54 H new ATOM 481 N CYS A 33 -4.653 -5.231 -24.181 1.00 4.14 N ATOM 482 CA CYS A 33 -5.981 -4.674 -23.947 1.00 14.30 C ATOM 483 C CYS A 33 -6.257 -4.536 -22.453 1.00 40.20 C ATOM 484 O CYS A 33 -5.738 -5.301 -21.641 1.00 70.43 O ATOM 485 CB CYS A 33 -7.049 -5.557 -24.596 1.00 41.51 C ATOM 486 SG CYS A 33 -7.185 -7.219 -23.861 1.00 12.41 S ATOM 0 H CYS A 33 -4.293 -5.799 -23.414 1.00 4.14 H new ATOM 0 HA CYS A 33 -6.017 -3.682 -24.398 1.00 14.30 H new ATOM 0 HB2 CYS A 33 -8.015 -5.057 -24.519 1.00 41.51 H new ATOM 0 HB3 CYS A 33 -6.826 -5.658 -25.658 1.00 41.51 H new ATOM 492 N GLY A 34 -7.080 -3.554 -22.097 1.00 43.13 N ATOM 493 CA GLY A 34 -7.412 -3.333 -20.701 1.00 74.11 C ATOM 494 C GLY A 34 -7.619 -1.867 -20.379 1.00 74.11 C ATOM 495 O GLY A 34 -8.469 -1.207 -20.977 1.00 61.22 O ATOM 0 H GLY A 34 -7.523 -2.908 -22.750 1.00 43.13 H new ATOM 0 HA2 GLY A 34 -8.317 -3.887 -20.454 1.00 74.11 H new ATOM 0 HA3 GLY A 34 -6.614 -3.730 -20.074 1.00 74.11 H new ATOM 499 N ASN A 35 -6.841 -1.355 -19.431 1.00 75.33 N ATOM 500 CA ASN A 35 -6.945 0.043 -19.029 1.00 34.04 C ATOM 501 C ASN A 35 -6.244 0.952 -20.034 1.00 52.30 C ATOM 502 O ASN A 35 -5.018 1.063 -20.038 1.00 3.45 O ATOM 503 CB ASN A 35 -6.341 0.242 -17.638 1.00 12.11 C ATOM 504 CG ASN A 35 -7.126 1.235 -16.803 1.00 22.11 C ATOM 505 OD1 ASN A 35 -7.002 2.447 -16.981 1.00 24.23 O ATOM 506 ND2 ASN A 35 -7.940 0.724 -15.886 1.00 11.51 N ATOM 0 H ASN A 35 -6.132 -1.887 -18.927 1.00 75.33 H new ATOM 0 HA ASN A 35 -8.002 0.309 -19.001 1.00 34.04 H new ATOM 0 HB2 ASN A 35 -6.306 -0.716 -17.120 1.00 12.11 H new ATOM 0 HB3 ASN A 35 -5.312 0.589 -17.738 1.00 12.11 H new ATOM 0 HD21 ASN A 35 -8.494 1.343 -15.294 1.00 11.51 H new ATOM 0 HD22 ASN A 35 -8.011 -0.287 -15.774 1.00 11.51 H new ATOM 513 N GLY A 36 -7.032 1.601 -20.887 1.00 41.34 N ATOM 514 CA GLY A 36 -6.468 2.493 -21.885 1.00 23.31 C ATOM 515 C GLY A 36 -6.650 3.954 -21.526 1.00 1.24 C ATOM 516 O GLY A 36 -6.965 4.284 -20.382 1.00 33.51 O ATOM 0 H GLY A 36 -8.049 1.525 -20.905 1.00 41.34 H new ATOM 0 HA2 GLY A 36 -5.405 2.280 -21.999 1.00 23.31 H new ATOM 0 HA3 GLY A 36 -6.938 2.298 -22.849 1.00 23.31 H new ATOM 520 N ILE A 37 -6.450 4.831 -22.504 1.00 24.13 N ATOM 521 CA ILE A 37 -6.593 6.265 -22.284 1.00 22.34 C ATOM 522 C ILE A 37 -7.319 6.929 -23.449 1.00 1.23 C ATOM 523 O ILE A 37 -7.190 6.504 -24.598 1.00 11.15 O ATOM 524 CB ILE A 37 -5.225 6.945 -22.091 1.00 23.32 C ATOM 525 CG1 ILE A 37 -4.436 6.247 -20.981 1.00 21.53 C ATOM 526 CG2 ILE A 37 -5.408 8.421 -21.772 1.00 42.11 C ATOM 527 CD1 ILE A 37 -5.083 6.358 -19.619 1.00 15.42 C ATOM 0 H ILE A 37 -6.189 4.574 -23.456 1.00 24.13 H new ATOM 0 HA ILE A 37 -7.181 6.388 -21.374 1.00 22.34 H new ATOM 0 HB ILE A 37 -4.660 6.862 -23.019 1.00 23.32 H new ATOM 0 HG12 ILE A 37 -4.322 5.193 -21.235 1.00 21.53 H new ATOM 0 HG13 ILE A 37 -3.434 6.674 -20.934 1.00 21.53 H new ATOM 0 HG21 ILE A 37 -4.432 8.888 -21.638 1.00 42.11 H new ATOM 0 HG22 ILE A 37 -5.934 8.908 -22.593 1.00 42.11 H new ATOM 0 HG23 ILE A 37 -5.989 8.526 -20.856 1.00 42.11 H new ATOM 0 HD11 ILE A 37 -4.469 5.841 -18.881 1.00 15.42 H new ATOM 0 HD12 ILE A 37 -5.173 7.409 -19.343 1.00 15.42 H new ATOM 0 HD13 ILE A 37 -6.074 5.905 -19.649 1.00 15.42 H new ATOM 539 N ARG A 38 -8.081 7.975 -23.146 1.00 13.23 N ATOM 540 CA ARG A 38 -8.827 8.700 -24.168 1.00 44.12 C ATOM 541 C ARG A 38 -8.590 10.202 -24.051 1.00 33.20 C ATOM 542 O ARG A 38 -8.618 10.760 -22.955 1.00 54.32 O ATOM 543 CB ARG A 38 -10.322 8.397 -24.049 1.00 3.13 C ATOM 544 CG ARG A 38 -10.948 8.917 -22.765 1.00 30.40 C ATOM 545 CD ARG A 38 -12.350 8.363 -22.564 1.00 64.31 C ATOM 546 NE ARG A 38 -12.443 7.530 -21.368 1.00 12.40 N ATOM 547 CZ ARG A 38 -13.589 7.238 -20.764 1.00 4.44 C ATOM 548 NH1 ARG A 38 -14.733 7.708 -21.242 1.00 44.41 N ATOM 549 NH2 ARG A 38 -13.592 6.474 -19.678 1.00 71.42 N ATOM 0 H ARG A 38 -8.198 8.340 -22.201 1.00 13.23 H new ATOM 0 HA ARG A 38 -8.473 8.369 -25.144 1.00 44.12 H new ATOM 0 HB2 ARG A 38 -10.842 8.836 -24.901 1.00 3.13 H new ATOM 0 HB3 ARG A 38 -10.471 7.319 -24.105 1.00 3.13 H new ATOM 0 HG2 ARG A 38 -10.322 8.642 -21.916 1.00 30.40 H new ATOM 0 HG3 ARG A 38 -10.987 10.006 -22.793 1.00 30.40 H new ATOM 0 HD2 ARG A 38 -13.058 9.188 -22.487 1.00 64.31 H new ATOM 0 HD3 ARG A 38 -12.637 7.777 -23.437 1.00 64.31 H new ATOM 0 HE ARG A 38 -11.581 7.152 -20.975 1.00 12.40 H new ATOM 0 HH11 ARG A 38 -14.734 8.296 -22.076 1.00 44.41 H new ATOM 0 HH12 ARG A 38 -15.612 7.482 -20.776 1.00 44.41 H new ATOM 0 HH21 ARG A 38 -12.714 6.111 -19.307 1.00 71.42 H new ATOM 0 HH22 ARG A 38 -14.473 6.250 -19.214 1.00 71.42 H new ATOM 563 N GLU A 39 -8.357 10.849 -25.188 1.00 60.01 N ATOM 564 CA GLU A 39 -8.114 12.287 -25.212 1.00 61.04 C ATOM 565 C GLU A 39 -9.386 13.047 -25.577 1.00 11.32 C ATOM 566 O GLU A 39 -10.110 12.664 -26.495 1.00 53.04 O ATOM 567 CB GLU A 39 -7.003 12.622 -26.210 1.00 41.11 C ATOM 568 CG GLU A 39 -5.605 12.498 -25.628 1.00 54.02 C ATOM 569 CD GLU A 39 -4.744 11.505 -26.384 1.00 1.13 C ATOM 570 OE1 GLU A 39 -5.065 10.298 -26.355 1.00 13.33 O ATOM 571 OE2 GLU A 39 -3.749 11.935 -27.005 1.00 0.24 O ATOM 0 H GLU A 39 -8.331 10.401 -26.104 1.00 60.01 H new ATOM 0 HA GLU A 39 -7.801 12.594 -24.214 1.00 61.04 H new ATOM 0 HB2 GLU A 39 -7.089 11.960 -27.072 1.00 41.11 H new ATOM 0 HB3 GLU A 39 -7.147 13.639 -26.574 1.00 41.11 H new ATOM 0 HG2 GLU A 39 -5.122 13.475 -25.641 1.00 54.02 H new ATOM 0 HG3 GLU A 39 -5.676 12.191 -24.585 1.00 54.02 H new ATOM 578 N ALA A 40 -9.651 14.128 -24.849 1.00 64.54 N ATOM 579 CA ALA A 40 -10.834 14.944 -25.095 1.00 44.02 C ATOM 580 C ALA A 40 -10.464 16.416 -25.246 1.00 65.22 C ATOM 581 O ALA A 40 -9.488 16.885 -24.659 1.00 34.34 O ATOM 582 CB ALA A 40 -11.842 14.764 -23.971 1.00 25.54 C ATOM 0 H ALA A 40 -9.062 14.458 -24.084 1.00 64.54 H new ATOM 0 HA ALA A 40 -11.286 14.612 -26.030 1.00 44.02 H new ATOM 0 HB1 ALA A 40 -12.720 15.379 -24.168 1.00 25.54 H new ATOM 0 HB2 ALA A 40 -12.138 13.717 -23.912 1.00 25.54 H new ATOM 0 HB3 ALA A 40 -11.391 15.067 -23.026 1.00 25.54 H new ATOM 588 N THR A 41 -11.249 17.139 -26.038 1.00 14.10 N ATOM 589 CA THR A 41 -11.002 18.557 -26.268 1.00 32.13 C ATOM 590 C THR A 41 -12.216 19.396 -25.883 1.00 24.43 C ATOM 591 O THR A 41 -13.290 19.259 -26.470 1.00 42.22 O ATOM 592 CB THR A 41 -10.648 18.835 -27.741 1.00 2.41 C ATOM 593 OG1 THR A 41 -11.041 17.725 -28.557 1.00 40.43 O ATOM 594 CG2 THR A 41 -9.156 19.085 -27.901 1.00 5.13 C ATOM 0 H THR A 41 -12.061 16.766 -26.531 1.00 14.10 H new ATOM 0 HA THR A 41 -10.156 18.836 -25.640 1.00 32.13 H new ATOM 0 HB THR A 41 -11.186 19.728 -28.059 1.00 2.41 H new ATOM 0 HG1 THR A 41 -10.814 17.910 -29.492 1.00 40.43 H new ATOM 0 HG21 THR A 41 -8.930 19.279 -28.950 1.00 5.13 H new ATOM 0 HG22 THR A 41 -8.865 19.948 -27.302 1.00 5.13 H new ATOM 0 HG23 THR A 41 -8.602 18.208 -27.567 1.00 5.13 H new ATOM 602 N CYS A 42 -12.039 20.264 -24.893 1.00 21.03 N ATOM 603 CA CYS A 42 -13.121 21.126 -24.429 1.00 61.34 C ATOM 604 C CYS A 42 -12.570 22.319 -23.653 1.00 50.03 C ATOM 605 O CYS A 42 -11.651 22.178 -22.848 1.00 51.41 O ATOM 606 CB CYS A 42 -14.089 20.334 -23.548 1.00 74.41 C ATOM 607 SG CYS A 42 -15.802 20.306 -24.168 1.00 31.03 S ATOM 0 H CYS A 42 -11.157 20.390 -24.396 1.00 21.03 H new ATOM 0 HA CYS A 42 -13.656 21.498 -25.302 1.00 61.34 H new ATOM 0 HB2 CYS A 42 -13.729 19.309 -23.460 1.00 74.41 H new ATOM 0 HB3 CYS A 42 -14.083 20.761 -22.545 1.00 74.41 H new ATOM 613 N ASN A 43 -13.140 23.493 -23.902 1.00 52.12 N ATOM 614 CA ASN A 43 -12.706 24.712 -23.227 1.00 34.53 C ATOM 615 C ASN A 43 -11.289 25.092 -23.647 1.00 63.10 C ATOM 616 O ASN A 43 -10.672 25.975 -23.053 1.00 21.21 O ATOM 617 CB ASN A 43 -12.769 24.528 -21.710 1.00 42.30 C ATOM 618 CG ASN A 43 -14.083 23.924 -21.254 1.00 41.32 C ATOM 619 OD1 ASN A 43 -15.123 24.130 -21.879 1.00 44.31 O ATOM 620 ND2 ASN A 43 -14.040 23.174 -20.158 1.00 33.11 N ATOM 0 H ASN A 43 -13.903 23.627 -24.566 1.00 52.12 H new ATOM 0 HA ASN A 43 -13.379 25.518 -23.517 1.00 34.53 H new ATOM 0 HB2 ASN A 43 -11.947 23.887 -21.390 1.00 42.30 H new ATOM 0 HB3 ASN A 43 -12.628 25.493 -21.224 1.00 42.30 H new ATOM 0 HD21 ASN A 43 -14.892 22.741 -19.802 1.00 33.11 H new ATOM 0 HD22 ASN A 43 -13.154 23.031 -19.672 1.00 33.11 H new ATOM 627 N GLU A 44 -10.782 24.418 -24.675 1.00 2.42 N ATOM 628 CA GLU A 44 -9.438 24.685 -25.174 1.00 1.43 C ATOM 629 C GLU A 44 -8.384 24.157 -24.205 1.00 44.22 C ATOM 630 O GLU A 44 -7.867 24.899 -23.370 1.00 40.43 O ATOM 631 CB GLU A 44 -9.240 26.186 -25.392 1.00 14.42 C ATOM 632 CG GLU A 44 -8.164 26.517 -26.412 1.00 41.50 C ATOM 633 CD GLU A 44 -6.829 26.840 -25.768 1.00 12.03 C ATOM 634 OE1 GLU A 44 -6.143 25.898 -25.320 1.00 30.50 O ATOM 635 OE2 GLU A 44 -6.471 28.036 -25.712 1.00 21.01 O ATOM 0 H GLU A 44 -11.281 23.684 -25.178 1.00 2.42 H new ATOM 0 HA GLU A 44 -9.322 24.169 -26.127 1.00 1.43 H new ATOM 0 HB2 GLU A 44 -10.183 26.625 -25.717 1.00 14.42 H new ATOM 0 HB3 GLU A 44 -8.982 26.652 -24.441 1.00 14.42 H new ATOM 0 HG2 GLU A 44 -8.041 25.674 -27.091 1.00 41.50 H new ATOM 0 HG3 GLU A 44 -8.488 27.366 -27.014 1.00 41.50 H new ATOM 642 N GLN A 45 -8.071 22.871 -24.324 1.00 64.12 N ATOM 643 CA GLN A 45 -7.079 22.244 -23.459 1.00 60.22 C ATOM 644 C GLN A 45 -6.900 20.771 -23.815 1.00 53.33 C ATOM 645 O GLN A 45 -7.486 20.278 -24.778 1.00 23.32 O ATOM 646 CB GLN A 45 -7.492 22.379 -21.992 1.00 4.12 C ATOM 647 CG GLN A 45 -8.908 21.904 -21.712 1.00 62.31 C ATOM 648 CD GLN A 45 -9.730 22.930 -20.958 1.00 13.12 C ATOM 649 OE1 GLN A 45 -9.677 24.124 -21.254 1.00 30.32 O ATOM 650 NE2 GLN A 45 -10.497 22.470 -19.976 1.00 71.42 N ATOM 0 H GLN A 45 -8.490 22.243 -25.010 1.00 64.12 H new ATOM 0 HA GLN A 45 -6.128 22.754 -23.610 1.00 60.22 H new ATOM 0 HB2 GLN A 45 -6.798 21.809 -21.374 1.00 4.12 H new ATOM 0 HB3 GLN A 45 -7.402 23.423 -21.693 1.00 4.12 H new ATOM 0 HG2 GLN A 45 -9.402 21.671 -22.655 1.00 62.31 H new ATOM 0 HG3 GLN A 45 -8.870 20.980 -21.135 1.00 62.31 H new ATOM 0 HE21 GLN A 45 -10.511 21.472 -19.764 1.00 71.42 H new ATOM 0 HE22 GLN A 45 -11.072 23.114 -19.434 1.00 71.42 H new ATOM 659 N THR A 46 -6.083 20.074 -23.031 1.00 25.41 N ATOM 660 CA THR A 46 -5.825 18.658 -23.263 1.00 33.52 C ATOM 661 C THR A 46 -5.783 17.883 -21.952 1.00 52.24 C ATOM 662 O THR A 46 -5.038 18.233 -21.036 1.00 41.04 O ATOM 663 CB THR A 46 -4.498 18.445 -24.016 1.00 44.42 C ATOM 664 OG1 THR A 46 -4.107 19.656 -24.673 1.00 32.20 O ATOM 665 CG2 THR A 46 -4.627 17.327 -25.037 1.00 65.52 C ATOM 0 H THR A 46 -5.589 20.467 -22.230 1.00 25.41 H new ATOM 0 HA THR A 46 -6.646 18.284 -23.875 1.00 33.52 H new ATOM 0 HB THR A 46 -3.736 18.164 -23.289 1.00 44.42 H new ATOM 0 HG1 THR A 46 -3.262 19.512 -25.148 1.00 32.20 H new ATOM 0 HG21 THR A 46 -3.677 17.196 -25.555 1.00 65.52 H new ATOM 0 HG22 THR A 46 -4.894 16.400 -24.530 1.00 65.52 H new ATOM 0 HG23 THR A 46 -5.402 17.582 -25.759 1.00 65.52 H new ATOM 673 N LYS A 47 -6.587 16.829 -21.866 1.00 41.13 N ATOM 674 CA LYS A 47 -6.640 16.002 -20.666 1.00 72.41 C ATOM 675 C LYS A 47 -6.891 14.540 -21.024 1.00 4.32 C ATOM 676 O LYS A 47 -7.748 14.231 -21.851 1.00 34.42 O ATOM 677 CB LYS A 47 -7.737 16.503 -19.725 1.00 14.33 C ATOM 678 CG LYS A 47 -9.061 16.767 -20.421 1.00 13.34 C ATOM 679 CD LYS A 47 -10.237 16.327 -19.565 1.00 35.42 C ATOM 680 CE LYS A 47 -10.930 15.107 -20.156 1.00 40.43 C ATOM 681 NZ LYS A 47 -12.031 14.618 -19.281 1.00 45.04 N ATOM 0 H LYS A 47 -7.212 16.527 -22.614 1.00 41.13 H new ATOM 0 HA LYS A 47 -5.676 16.074 -20.162 1.00 72.41 H new ATOM 0 HB2 LYS A 47 -7.891 15.767 -18.936 1.00 14.33 H new ATOM 0 HB3 LYS A 47 -7.400 17.421 -19.243 1.00 14.33 H new ATOM 0 HG2 LYS A 47 -9.150 17.830 -20.645 1.00 13.34 H new ATOM 0 HG3 LYS A 47 -9.085 16.238 -21.374 1.00 13.34 H new ATOM 0 HD2 LYS A 47 -9.890 16.097 -18.558 1.00 35.42 H new ATOM 0 HD3 LYS A 47 -10.951 17.146 -19.477 1.00 35.42 H new ATOM 0 HE2 LYS A 47 -11.330 15.357 -21.139 1.00 40.43 H new ATOM 0 HE3 LYS A 47 -10.201 14.310 -20.302 1.00 40.43 H new ATOM 0 HZ1 LYS A 47 -12.595 13.912 -19.795 1.00 45.04 H new ATOM 0 HZ2 LYS A 47 -11.628 14.184 -18.426 1.00 45.04 H new ATOM 0 HZ3 LYS A 47 -12.640 15.417 -19.010 1.00 45.04 H new ATOM 695 N LYS A 48 -6.139 13.644 -20.393 1.00 11.03 N ATOM 696 CA LYS A 48 -6.282 12.215 -20.642 1.00 43.42 C ATOM 697 C LYS A 48 -7.018 11.533 -19.492 1.00 62.12 C ATOM 698 O LYS A 48 -6.652 11.690 -18.326 1.00 74.44 O ATOM 699 CB LYS A 48 -4.908 11.570 -20.835 1.00 50.53 C ATOM 700 CG LYS A 48 -4.488 11.457 -22.290 1.00 32.43 C ATOM 701 CD LYS A 48 -3.091 10.876 -22.425 1.00 44.42 C ATOM 702 CE LYS A 48 -2.221 11.721 -23.342 1.00 73.13 C ATOM 703 NZ LYS A 48 -1.837 13.012 -22.708 1.00 54.33 N ATOM 0 H LYS A 48 -5.424 13.883 -19.705 1.00 11.03 H new ATOM 0 HA LYS A 48 -6.868 12.087 -21.552 1.00 43.42 H new ATOM 0 HB2 LYS A 48 -4.163 12.154 -20.295 1.00 50.53 H new ATOM 0 HB3 LYS A 48 -4.917 10.575 -20.390 1.00 50.53 H new ATOM 0 HG2 LYS A 48 -5.198 10.827 -22.826 1.00 32.43 H new ATOM 0 HG3 LYS A 48 -4.520 12.442 -22.756 1.00 32.43 H new ATOM 0 HD2 LYS A 48 -2.627 10.810 -21.441 1.00 44.42 H new ATOM 0 HD3 LYS A 48 -3.155 9.861 -22.816 1.00 44.42 H new ATOM 0 HE2 LYS A 48 -1.322 11.164 -23.604 1.00 73.13 H new ATOM 0 HE3 LYS A 48 -2.756 11.918 -24.271 1.00 73.13 H new ATOM 0 HZ1 LYS A 48 -1.245 13.559 -23.365 1.00 54.33 H new ATOM 0 HZ2 LYS A 48 -2.694 13.555 -22.481 1.00 54.33 H new ATOM 0 HZ3 LYS A 48 -1.304 12.825 -21.835 1.00 54.33 H new ATOM 717 N THR A 49 -8.056 10.774 -19.827 1.00 21.03 N ATOM 718 CA THR A 49 -8.842 10.068 -18.823 1.00 31.03 C ATOM 719 C THR A 49 -8.664 8.560 -18.946 1.00 32.44 C ATOM 720 O THR A 49 -8.341 8.048 -20.017 1.00 60.35 O ATOM 721 CB THR A 49 -10.340 10.409 -18.942 1.00 4.22 C ATOM 722 OG1 THR A 49 -10.948 9.598 -19.953 1.00 21.12 O ATOM 723 CG2 THR A 49 -10.536 11.880 -19.277 1.00 4.22 C ATOM 0 H THR A 49 -8.372 10.632 -20.786 1.00 21.03 H new ATOM 0 HA THR A 49 -8.478 10.395 -17.849 1.00 31.03 H new ATOM 0 HB THR A 49 -10.814 10.206 -17.981 1.00 4.22 H new ATOM 0 HG1 THR A 49 -11.900 9.820 -20.021 1.00 21.12 H new ATOM 0 HG21 THR A 49 -11.601 12.096 -19.356 1.00 4.22 H new ATOM 0 HG22 THR A 49 -10.098 12.494 -18.490 1.00 4.22 H new ATOM 0 HG23 THR A 49 -10.049 12.105 -20.226 1.00 4.22 H new ATOM 731 N LYS A 50 -8.879 7.852 -17.842 1.00 21.22 N ATOM 732 CA LYS A 50 -8.745 6.400 -17.826 1.00 43.33 C ATOM 733 C LYS A 50 -9.928 5.736 -18.525 1.00 44.44 C ATOM 734 O LYS A 50 -11.077 6.132 -18.332 1.00 3.41 O ATOM 735 CB LYS A 50 -8.639 5.893 -16.386 1.00 41.15 C ATOM 736 CG LYS A 50 -7.299 6.189 -15.733 1.00 73.51 C ATOM 737 CD LYS A 50 -7.419 7.287 -14.691 1.00 44.53 C ATOM 738 CE LYS A 50 -6.136 7.433 -13.886 1.00 34.03 C ATOM 739 NZ LYS A 50 -6.129 6.550 -12.687 1.00 72.43 N ATOM 0 H LYS A 50 -9.147 8.260 -16.947 1.00 21.22 H new ATOM 0 HA LYS A 50 -7.834 6.138 -18.365 1.00 43.33 H new ATOM 0 HB2 LYS A 50 -9.432 6.347 -15.791 1.00 41.15 H new ATOM 0 HB3 LYS A 50 -8.809 4.816 -16.375 1.00 41.15 H new ATOM 0 HG2 LYS A 50 -6.913 5.283 -15.266 1.00 73.51 H new ATOM 0 HG3 LYS A 50 -6.579 6.486 -16.495 1.00 73.51 H new ATOM 0 HD2 LYS A 50 -7.652 8.232 -15.182 1.00 44.53 H new ATOM 0 HD3 LYS A 50 -8.248 7.064 -14.019 1.00 44.53 H new ATOM 0 HE2 LYS A 50 -5.281 7.193 -14.519 1.00 34.03 H new ATOM 0 HE3 LYS A 50 -6.020 8.471 -13.573 1.00 34.03 H new ATOM 0 HZ1 LYS A 50 -5.238 6.679 -12.166 1.00 72.43 H new ATOM 0 HZ2 LYS A 50 -6.930 6.796 -12.070 1.00 72.43 H new ATOM 0 HZ3 LYS A 50 -6.214 5.558 -12.986 1.00 72.43 H new ATOM 753 N CYS A 51 -9.637 4.724 -19.335 1.00 21.25 N ATOM 754 CA CYS A 51 -10.677 4.003 -20.061 1.00 33.21 C ATOM 755 C CYS A 51 -10.452 2.496 -19.979 1.00 21.22 C ATOM 756 O CYS A 51 -9.392 2.037 -19.555 1.00 4.34 O ATOM 757 CB CYS A 51 -10.706 4.447 -21.525 1.00 43.25 C ATOM 758 SG CYS A 51 -12.364 4.414 -22.279 1.00 13.31 S ATOM 0 H CYS A 51 -8.690 4.384 -19.506 1.00 21.25 H new ATOM 0 HA CYS A 51 -11.636 4.235 -19.599 1.00 33.21 H new ATOM 0 HB2 CYS A 51 -10.307 5.459 -21.595 1.00 43.25 H new ATOM 0 HB3 CYS A 51 -10.043 3.802 -22.102 1.00 43.25 H new ATOM 764 N LYS A 52 -11.459 1.731 -20.390 1.00 75.03 N ATOM 765 CA LYS A 52 -11.373 0.276 -20.366 1.00 42.21 C ATOM 766 C LYS A 52 -12.051 -0.329 -21.590 1.00 64.33 C ATOM 767 O LYS A 52 -13.209 -0.033 -21.881 1.00 12.13 O ATOM 768 CB LYS A 52 -12.017 -0.272 -19.090 1.00 2.22 C ATOM 769 CG LYS A 52 -11.037 -0.977 -18.169 1.00 65.44 C ATOM 770 CD LYS A 52 -10.577 -2.303 -18.754 1.00 30.04 C ATOM 771 CE LYS A 52 -11.338 -3.473 -18.150 1.00 3.44 C ATOM 772 NZ LYS A 52 -10.809 -3.845 -16.808 1.00 43.11 N ATOM 0 H LYS A 52 -12.344 2.095 -20.744 1.00 75.03 H new ATOM 0 HA LYS A 52 -10.319 -0.001 -20.382 1.00 42.21 H new ATOM 0 HB2 LYS A 52 -12.486 0.549 -18.548 1.00 2.22 H new ATOM 0 HB3 LYS A 52 -12.811 -0.967 -19.363 1.00 2.22 H new ATOM 0 HG2 LYS A 52 -10.173 -0.335 -17.996 1.00 65.44 H new ATOM 0 HG3 LYS A 52 -11.506 -1.149 -17.200 1.00 65.44 H new ATOM 0 HD2 LYS A 52 -10.719 -2.294 -19.835 1.00 30.04 H new ATOM 0 HD3 LYS A 52 -9.509 -2.430 -18.574 1.00 30.04 H new ATOM 0 HE2 LYS A 52 -12.394 -3.215 -18.066 1.00 3.44 H new ATOM 0 HE3 LYS A 52 -11.272 -4.332 -18.817 1.00 3.44 H new ATOM 0 HZ1 LYS A 52 -11.354 -4.646 -16.430 1.00 43.11 H new ATOM 0 HZ2 LYS A 52 -9.808 -4.116 -16.892 1.00 43.11 H new ATOM 0 HZ3 LYS A 52 -10.895 -3.033 -16.164 1.00 43.11 H new ATOM 786 N VAL A 53 -11.321 -1.181 -22.305 1.00 64.21 N ATOM 787 CA VAL A 53 -11.853 -1.830 -23.497 1.00 24.22 C ATOM 788 C VAL A 53 -12.520 -3.157 -23.149 1.00 50.31 C ATOM 789 O VAL A 53 -12.168 -3.819 -22.173 1.00 64.13 O ATOM 790 CB VAL A 53 -10.748 -2.081 -24.540 1.00 22.52 C ATOM 791 CG1 VAL A 53 -10.031 -0.785 -24.881 1.00 73.12 C ATOM 792 CG2 VAL A 53 -9.766 -3.127 -24.033 1.00 12.41 C ATOM 0 H VAL A 53 -10.360 -1.437 -22.079 1.00 64.21 H new ATOM 0 HA VAL A 53 -12.595 -1.154 -23.921 1.00 24.22 H new ATOM 0 HB VAL A 53 -11.211 -2.461 -25.451 1.00 22.52 H new ATOM 0 HG11 VAL A 53 -9.254 -0.983 -25.619 1.00 73.12 H new ATOM 0 HG12 VAL A 53 -10.746 -0.070 -25.289 1.00 73.12 H new ATOM 0 HG13 VAL A 53 -9.578 -0.372 -23.980 1.00 73.12 H new ATOM 0 HG21 VAL A 53 -8.992 -3.292 -24.782 1.00 12.41 H new ATOM 0 HG22 VAL A 53 -9.307 -2.777 -23.108 1.00 12.41 H new ATOM 0 HG23 VAL A 53 -10.295 -4.062 -23.845 1.00 12.41 H new ATOM 802 N PRO A 54 -13.506 -3.556 -23.966 1.00 3.43 N ATOM 803 CA PRO A 54 -14.243 -4.807 -23.766 1.00 42.32 C ATOM 804 C PRO A 54 -13.383 -6.036 -24.043 1.00 45.32 C ATOM 805 O PRO A 54 -13.501 -6.664 -25.095 1.00 64.11 O ATOM 806 CB PRO A 54 -15.384 -4.713 -24.781 1.00 42.21 C ATOM 807 CG PRO A 54 -14.873 -3.805 -25.844 1.00 41.23 C ATOM 808 CD PRO A 54 -13.978 -2.816 -25.148 1.00 13.45 C ATOM 0 HA PRO A 54 -14.580 -4.922 -22.736 1.00 42.32 H new ATOM 0 HB2 PRO A 54 -15.636 -5.693 -25.185 1.00 42.21 H new ATOM 0 HB3 PRO A 54 -16.290 -4.315 -24.323 1.00 42.21 H new ATOM 0 HG2 PRO A 54 -14.323 -4.362 -26.603 1.00 41.23 H new ATOM 0 HG3 PRO A 54 -15.693 -3.299 -26.352 1.00 41.23 H new ATOM 0 HD2 PRO A 54 -13.150 -2.506 -25.785 1.00 13.45 H new ATOM 0 HD3 PRO A 54 -14.519 -1.913 -24.867 1.00 13.45 H new ATOM 816 N CYS A 55 -12.518 -6.374 -23.092 1.00 61.34 N ATOM 817 CA CYS A 55 -11.638 -7.528 -23.234 1.00 51.21 C ATOM 818 C CYS A 55 -11.996 -8.612 -22.220 1.00 74.53 C ATOM 819 O CYS A 55 -12.784 -8.384 -21.305 1.00 3.14 O ATOM 820 CB CYS A 55 -10.178 -7.108 -23.053 1.00 11.43 C ATOM 821 SG CYS A 55 -9.024 -7.909 -24.212 1.00 34.32 S ATOM 0 H CYS A 55 -12.408 -5.865 -22.215 1.00 61.34 H new ATOM 0 HA CYS A 55 -11.771 -7.934 -24.237 1.00 51.21 H new ATOM 0 HB2 CYS A 55 -10.105 -6.027 -23.173 1.00 11.43 H new ATOM 0 HB3 CYS A 55 -9.869 -7.337 -22.033 1.00 11.43 H new ATOM 827 N ASN A 56 -11.410 -9.792 -22.395 1.00 5.30 N ATOM 828 CA ASN A 56 -11.667 -10.913 -21.497 1.00 21.04 C ATOM 829 C ASN A 56 -10.360 -11.542 -21.024 1.00 32.10 C ATOM 830 O ASN A 56 -10.322 -12.715 -20.655 1.00 23.13 O ATOM 831 CB ASN A 56 -12.529 -11.965 -22.195 1.00 22.54 C ATOM 832 CG ASN A 56 -11.969 -12.371 -23.543 1.00 63.45 C ATOM 833 OD1 ASN A 56 -10.771 -12.236 -23.796 1.00 74.01 O ATOM 834 ND2 ASN A 56 -12.833 -12.872 -24.418 1.00 41.30 N ATOM 0 H ASN A 56 -10.755 -9.997 -23.149 1.00 5.30 H new ATOM 0 HA ASN A 56 -12.203 -10.534 -20.627 1.00 21.04 H new ATOM 0 HB2 ASN A 56 -12.609 -12.846 -21.558 1.00 22.54 H new ATOM 0 HB3 ASN A 56 -13.538 -11.574 -22.327 1.00 22.54 H new ATOM 0 HD21 ASN A 56 -12.513 -13.163 -25.342 1.00 41.30 H new ATOM 0 HD22 ASN A 56 -13.817 -12.966 -24.166 1.00 41.30 H new ATOM 941 N GLY A 62 -4.230 -14.421 -32.640 1.00 23.14 N ATOM 942 CA GLY A 62 -3.134 -13.665 -33.215 1.00 45.03 C ATOM 943 C GLY A 62 -1.779 -14.222 -32.824 1.00 60.34 C ATOM 944 O GLY A 62 -1.539 -15.424 -32.932 1.00 11.00 O ATOM 0 HA2 GLY A 62 -3.225 -13.668 -34.301 1.00 45.03 H new ATOM 0 HA3 GLY A 62 -3.204 -12.626 -32.892 1.00 45.03 H new ATOM 948 N ALA A 63 -0.889 -13.345 -32.372 1.00 42.11 N ATOM 949 CA ALA A 63 0.449 -13.755 -31.964 1.00 44.44 C ATOM 950 C ALA A 63 0.410 -14.519 -30.645 1.00 61.14 C ATOM 951 O ALA A 63 1.258 -15.374 -30.388 1.00 3.31 O ATOM 952 CB ALA A 63 1.360 -12.542 -31.847 1.00 62.13 C ATOM 0 H ALA A 63 -1.070 -12.346 -32.279 1.00 42.11 H new ATOM 0 HA ALA A 63 0.847 -14.422 -32.729 1.00 44.44 H new ATOM 0 HB1 ALA A 63 2.356 -12.863 -31.542 1.00 62.13 H new ATOM 0 HB2 ALA A 63 1.421 -12.038 -32.812 1.00 62.13 H new ATOM 0 HB3 ALA A 63 0.957 -11.854 -31.104 1.00 62.13 H new ATOM 958 N ASP A 64 -0.576 -14.207 -29.814 1.00 34.14 N ATOM 959 CA ASP A 64 -0.725 -14.865 -28.521 1.00 33.14 C ATOM 960 C ASP A 64 0.589 -14.849 -27.748 1.00 52.51 C ATOM 961 O ASP A 64 1.020 -15.871 -27.213 1.00 10.42 O ATOM 962 CB ASP A 64 -1.203 -16.305 -28.710 1.00 63.41 C ATOM 963 CG ASP A 64 -2.185 -16.444 -29.857 1.00 24.24 C ATOM 964 OD1 ASP A 64 -2.987 -15.511 -30.066 1.00 75.35 O ATOM 965 OD2 ASP A 64 -2.153 -17.487 -30.544 1.00 42.53 O ATOM 0 H ASP A 64 -1.286 -13.502 -30.012 1.00 34.14 H new ATOM 0 HA ASP A 64 -1.470 -14.316 -27.945 1.00 33.14 H new ATOM 0 HB2 ASP A 64 -0.343 -16.949 -28.892 1.00 63.41 H new ATOM 0 HB3 ASP A 64 -1.672 -16.653 -27.790 1.00 63.41 H new ATOM 970 N CYS A 65 1.225 -13.682 -27.694 1.00 35.51 N ATOM 971 CA CYS A 65 2.491 -13.533 -26.990 1.00 12.20 C ATOM 972 C CYS A 65 2.344 -12.586 -25.802 1.00 5.11 C ATOM 973 O CYS A 65 1.613 -11.597 -25.868 1.00 41.34 O ATOM 974 CB CYS A 65 3.570 -13.010 -27.941 1.00 60.52 C ATOM 975 SG CYS A 65 4.069 -14.201 -29.226 1.00 24.01 S ATOM 0 H CYS A 65 0.882 -12.826 -28.130 1.00 35.51 H new ATOM 0 HA CYS A 65 2.788 -14.513 -26.618 1.00 12.20 H new ATOM 0 HB2 CYS A 65 3.206 -12.103 -28.423 1.00 60.52 H new ATOM 0 HB3 CYS A 65 4.448 -12.731 -27.359 1.00 60.52 H new ATOM 981 N LYS A 66 3.043 -12.896 -24.715 1.00 40.33 N ATOM 982 CA LYS A 66 2.993 -12.074 -23.512 1.00 10.20 C ATOM 983 C LYS A 66 4.187 -11.127 -23.450 1.00 71.14 C ATOM 984 O LYS A 66 5.337 -11.564 -23.403 1.00 70.02 O ATOM 985 CB LYS A 66 2.966 -12.961 -22.265 1.00 42.10 C ATOM 986 CG LYS A 66 1.747 -13.863 -22.186 1.00 40.52 C ATOM 987 CD LYS A 66 0.843 -13.478 -21.026 1.00 53.12 C ATOM 988 CE LYS A 66 1.305 -14.114 -19.725 1.00 45.41 C ATOM 989 NZ LYS A 66 0.349 -13.858 -18.611 1.00 74.53 N ATOM 0 H LYS A 66 3.651 -13.712 -24.643 1.00 40.33 H new ATOM 0 HA LYS A 66 2.081 -11.478 -23.546 1.00 10.20 H new ATOM 0 HB2 LYS A 66 3.865 -13.577 -22.248 1.00 42.10 H new ATOM 0 HB3 LYS A 66 2.997 -12.328 -21.378 1.00 42.10 H new ATOM 0 HG2 LYS A 66 1.188 -13.803 -23.120 1.00 40.52 H new ATOM 0 HG3 LYS A 66 2.066 -14.899 -22.071 1.00 40.52 H new ATOM 0 HD2 LYS A 66 0.830 -12.393 -20.918 1.00 53.12 H new ATOM 0 HD3 LYS A 66 -0.179 -13.789 -21.241 1.00 53.12 H new ATOM 0 HE2 LYS A 66 1.418 -15.189 -19.866 1.00 45.41 H new ATOM 0 HE3 LYS A 66 2.287 -13.723 -19.458 1.00 45.41 H new ATOM 0 HZ1 LYS A 66 0.700 -14.308 -17.742 1.00 74.53 H new ATOM 0 HZ2 LYS A 66 0.260 -12.833 -18.459 1.00 74.53 H new ATOM 0 HZ3 LYS A 66 -0.581 -14.254 -18.854 1.00 74.53 H new ATOM 1003 N TYR A 67 3.906 -9.829 -23.449 1.00 52.42 N ATOM 1004 CA TYR A 67 4.958 -8.820 -23.394 1.00 12.24 C ATOM 1005 C TYR A 67 4.932 -8.078 -22.060 1.00 3.31 C ATOM 1006 O TYR A 67 3.867 -7.836 -21.491 1.00 31.43 O ATOM 1007 CB TYR A 67 4.801 -7.825 -24.545 1.00 22.33 C ATOM 1008 CG TYR A 67 5.115 -8.415 -25.901 1.00 74.42 C ATOM 1009 CD1 TYR A 67 6.422 -8.474 -26.368 1.00 52.32 C ATOM 1010 CD2 TYR A 67 4.106 -8.912 -26.716 1.00 74.35 C ATOM 1011 CE1 TYR A 67 6.715 -9.010 -27.607 1.00 51.31 C ATOM 1012 CE2 TYR A 67 4.389 -9.451 -27.956 1.00 43.35 C ATOM 1013 CZ TYR A 67 5.696 -9.499 -28.396 1.00 33.24 C ATOM 1014 OH TYR A 67 5.982 -10.035 -29.631 1.00 55.31 O ATOM 0 H TYR A 67 2.960 -9.450 -23.486 1.00 52.42 H new ATOM 0 HA TYR A 67 5.918 -9.328 -23.489 1.00 12.24 H new ATOM 0 HB2 TYR A 67 3.779 -7.447 -24.550 1.00 22.33 H new ATOM 0 HB3 TYR A 67 5.456 -6.972 -24.369 1.00 22.33 H new ATOM 0 HD1 TYR A 67 7.223 -8.094 -25.751 1.00 52.32 H new ATOM 0 HD2 TYR A 67 3.082 -8.876 -26.374 1.00 74.35 H new ATOM 0 HE1 TYR A 67 7.737 -9.046 -27.955 1.00 51.31 H new ATOM 0 HE2 TYR A 67 3.592 -9.832 -28.577 1.00 43.35 H new ATOM 0 HH TYR A 67 6.650 -9.478 -30.082 1.00 55.31 H new ATOM 1024 N LYS A 68 6.112 -7.721 -21.567 1.00 53.12 N ATOM 1025 CA LYS A 68 6.228 -7.006 -20.301 1.00 74.24 C ATOM 1026 C LYS A 68 6.775 -5.598 -20.520 1.00 21.50 C ATOM 1027 O LYS A 68 7.946 -5.421 -20.853 1.00 52.50 O ATOM 1028 CB LYS A 68 7.137 -7.773 -19.340 1.00 44.54 C ATOM 1029 CG LYS A 68 6.935 -7.399 -17.882 1.00 24.11 C ATOM 1030 CD LYS A 68 5.707 -8.078 -17.298 1.00 24.21 C ATOM 1031 CE LYS A 68 5.715 -8.032 -15.777 1.00 24.53 C ATOM 1032 NZ LYS A 68 4.556 -8.765 -15.195 1.00 70.34 N ATOM 0 H LYS A 68 7.003 -7.915 -22.025 1.00 53.12 H new ATOM 0 HA LYS A 68 5.232 -6.927 -19.864 1.00 74.24 H new ATOM 0 HB2 LYS A 68 6.959 -8.842 -19.460 1.00 44.54 H new ATOM 0 HB3 LYS A 68 8.176 -7.590 -19.613 1.00 44.54 H new ATOM 0 HG2 LYS A 68 7.817 -7.682 -17.307 1.00 24.11 H new ATOM 0 HG3 LYS A 68 6.831 -6.318 -17.794 1.00 24.11 H new ATOM 0 HD2 LYS A 68 4.807 -7.590 -17.673 1.00 24.21 H new ATOM 0 HD3 LYS A 68 5.670 -9.115 -17.632 1.00 24.21 H new ATOM 0 HE2 LYS A 68 6.643 -8.466 -15.405 1.00 24.53 H new ATOM 0 HE3 LYS A 68 5.693 -6.994 -15.445 1.00 24.53 H new ATOM 0 HZ1 LYS A 68 4.597 -8.711 -14.157 1.00 70.34 H new ATOM 0 HZ2 LYS A 68 3.670 -8.335 -15.530 1.00 70.34 H new ATOM 0 HZ3 LYS A 68 4.591 -9.761 -15.491 1.00 70.34 H new ATOM 1046 N PHE A 69 5.918 -4.600 -20.329 1.00 71.51 N ATOM 1047 CA PHE A 69 6.316 -3.208 -20.506 1.00 11.44 C ATOM 1048 C PHE A 69 6.815 -2.615 -19.191 1.00 72.03 C ATOM 1049 O PHE A 69 6.474 -3.095 -18.111 1.00 73.31 O ATOM 1050 CB PHE A 69 5.142 -2.383 -21.036 1.00 22.35 C ATOM 1051 CG PHE A 69 4.893 -2.571 -22.506 1.00 51.50 C ATOM 1052 CD1 PHE A 69 5.891 -2.307 -23.430 1.00 1.13 C ATOM 1053 CD2 PHE A 69 3.661 -3.009 -22.963 1.00 62.50 C ATOM 1054 CE1 PHE A 69 5.666 -2.479 -24.783 1.00 12.10 C ATOM 1055 CE2 PHE A 69 3.430 -3.184 -24.315 1.00 1.42 C ATOM 1056 CZ PHE A 69 4.433 -2.917 -25.225 1.00 74.22 C ATOM 0 H PHE A 69 4.945 -4.729 -20.052 1.00 71.51 H new ATOM 0 HA PHE A 69 7.129 -3.178 -21.231 1.00 11.44 H new ATOM 0 HB2 PHE A 69 4.241 -2.653 -20.485 1.00 22.35 H new ATOM 0 HB3 PHE A 69 5.332 -1.328 -20.840 1.00 22.35 H new ATOM 0 HD1 PHE A 69 6.856 -1.963 -23.089 1.00 1.13 H new ATOM 0 HD2 PHE A 69 2.872 -3.216 -22.255 1.00 62.50 H new ATOM 0 HE1 PHE A 69 6.453 -2.271 -25.493 1.00 12.10 H new ATOM 0 HE2 PHE A 69 2.466 -3.529 -24.659 1.00 1.42 H new ATOM 0 HZ PHE A 69 4.254 -3.050 -26.282 1.00 74.22 H new ATOM 1066 N GLY A 70 7.627 -1.567 -19.293 1.00 52.14 N ATOM 1067 CA GLY A 70 8.163 -0.925 -18.106 1.00 70.00 C ATOM 1068 C GLY A 70 7.614 0.474 -17.906 1.00 24.34 C ATOM 1069 O GLY A 70 6.967 0.755 -16.896 1.00 61.04 O ATOM 0 H GLY A 70 7.923 -1.151 -20.176 1.00 52.14 H new ATOM 0 HA2 GLY A 70 7.930 -1.532 -17.231 1.00 70.00 H new ATOM 0 HA3 GLY A 70 9.249 -0.878 -18.181 1.00 70.00 H new ATOM 1073 N ARG A 71 7.871 1.352 -18.869 1.00 3.23 N ATOM 1074 CA ARG A 71 7.400 2.730 -18.792 1.00 65.21 C ATOM 1075 C ARG A 71 7.820 3.518 -20.029 1.00 52.34 C ATOM 1076 O ARG A 71 8.784 3.161 -20.707 1.00 4.41 O ATOM 1077 CB ARG A 71 7.945 3.408 -17.533 1.00 30.24 C ATOM 1078 CG ARG A 71 9.424 3.150 -17.293 1.00 12.13 C ATOM 1079 CD ARG A 71 9.650 2.342 -16.025 1.00 33.04 C ATOM 1080 NE ARG A 71 9.200 3.056 -14.833 1.00 14.42 N ATOM 1081 CZ ARG A 71 9.873 4.060 -14.280 1.00 21.10 C ATOM 1082 NH1 ARG A 71 11.020 4.464 -14.808 1.00 35.33 N ATOM 1083 NH2 ARG A 71 9.399 4.660 -13.197 1.00 2.52 N ATOM 0 H ARG A 71 8.403 1.134 -19.712 1.00 3.23 H new ATOM 0 HA ARG A 71 6.311 2.713 -18.745 1.00 65.21 H new ATOM 0 HB2 ARG A 71 7.780 4.483 -17.609 1.00 30.24 H new ATOM 0 HB3 ARG A 71 7.379 3.059 -16.669 1.00 30.24 H new ATOM 0 HG2 ARG A 71 9.844 2.616 -18.145 1.00 12.13 H new ATOM 0 HG3 ARG A 71 9.953 4.100 -17.219 1.00 12.13 H new ATOM 0 HD2 ARG A 71 9.120 1.393 -16.101 1.00 33.04 H new ATOM 0 HD3 ARG A 71 10.710 2.108 -15.929 1.00 33.04 H new ATOM 0 HE ARG A 71 8.322 2.769 -14.401 1.00 14.42 H new ATOM 0 HH11 ARG A 71 11.388 4.004 -15.641 1.00 35.33 H new ATOM 0 HH12 ARG A 71 11.534 5.235 -14.382 1.00 35.33 H new ATOM 0 HH21 ARG A 71 8.517 4.351 -12.788 1.00 2.52 H new ATOM 0 HH22 ARG A 71 9.916 5.430 -12.773 1.00 2.52 H new ATOM 1097 N TRP A 72 7.091 4.589 -20.317 1.00 54.11 N ATOM 1098 CA TRP A 72 7.387 5.427 -21.473 1.00 53.32 C ATOM 1099 C TRP A 72 8.487 6.433 -21.149 1.00 4.41 C ATOM 1100 O TRP A 72 8.864 7.248 -21.990 1.00 32.24 O ATOM 1101 CB TRP A 72 6.127 6.162 -21.932 1.00 74.24 C ATOM 1102 CG TRP A 72 5.145 5.274 -22.634 1.00 13.33 C ATOM 1103 CD1 TRP A 72 3.894 4.937 -22.204 1.00 31.34 C ATOM 1104 CD2 TRP A 72 5.333 4.609 -23.888 1.00 12.34 C ATOM 1105 NE1 TRP A 72 3.292 4.102 -23.115 1.00 43.11 N ATOM 1106 CE2 TRP A 72 4.155 3.887 -24.157 1.00 22.11 C ATOM 1107 CE3 TRP A 72 6.381 4.555 -24.810 1.00 51.23 C ATOM 1108 CZ2 TRP A 72 3.999 3.120 -25.309 1.00 12.03 C ATOM 1109 CZ3 TRP A 72 6.226 3.794 -25.953 1.00 41.00 C ATOM 1110 CH2 TRP A 72 5.042 3.086 -26.195 1.00 23.03 C ATOM 0 H TRP A 72 6.290 4.898 -19.766 1.00 54.11 H new ATOM 0 HA TRP A 72 7.736 4.781 -22.278 1.00 53.32 H new ATOM 0 HB2 TRP A 72 5.643 6.614 -21.066 1.00 74.24 H new ATOM 0 HB3 TRP A 72 6.412 6.976 -22.599 1.00 74.24 H new ATOM 0 HD1 TRP A 72 3.443 5.277 -21.283 1.00 31.34 H new ATOM 0 HE1 TRP A 72 2.356 3.707 -23.029 1.00 43.11 H new ATOM 0 HE3 TRP A 72 7.297 5.099 -24.633 1.00 51.23 H new ATOM 0 HZ2 TRP A 72 3.088 2.572 -25.497 1.00 12.03 H new ATOM 0 HZ3 TRP A 72 7.031 3.744 -26.671 1.00 41.00 H new ATOM 0 HH2 TRP A 72 4.950 2.502 -27.099 1.00 23.03 H new ATOM 1121 N ALA A 73 8.999 6.369 -19.924 1.00 12.32 N ATOM 1122 CA ALA A 73 10.057 7.272 -19.490 1.00 74.10 C ATOM 1123 C ALA A 73 9.664 8.728 -19.718 1.00 71.34 C ATOM 1124 O ALA A 73 8.539 9.021 -20.122 1.00 62.14 O ATOM 1125 CB ALA A 73 11.355 6.954 -20.218 1.00 25.02 C ATOM 0 H ALA A 73 8.698 5.701 -19.215 1.00 12.32 H new ATOM 0 HA ALA A 73 10.208 7.127 -18.420 1.00 74.10 H new ATOM 0 HB1 ALA A 73 12.136 7.637 -19.884 1.00 25.02 H new ATOM 0 HB2 ALA A 73 11.652 5.928 -20.001 1.00 25.02 H new ATOM 0 HB3 ALA A 73 11.208 7.069 -21.292 1.00 25.02 H new ATOM 1131 N GLU A 74 10.599 9.637 -19.456 1.00 75.21 N ATOM 1132 CA GLU A 74 10.348 11.062 -19.632 1.00 34.14 C ATOM 1133 C GLU A 74 10.736 11.513 -21.038 1.00 14.54 C ATOM 1134 O GLU A 74 11.814 11.186 -21.531 1.00 40.41 O ATOM 1135 CB GLU A 74 11.124 11.872 -18.591 1.00 73.43 C ATOM 1136 CG GLU A 74 10.779 11.509 -17.157 1.00 42.11 C ATOM 1137 CD GLU A 74 9.508 12.178 -16.675 1.00 11.14 C ATOM 1138 OE1 GLU A 74 8.414 11.641 -16.947 1.00 0.25 O ATOM 1139 OE2 GLU A 74 9.606 13.241 -16.026 1.00 2.34 O ATOM 0 H GLU A 74 11.536 9.411 -19.122 1.00 75.21 H new ATOM 0 HA GLU A 74 9.281 11.237 -19.495 1.00 34.14 H new ATOM 0 HB2 GLU A 74 12.192 11.721 -18.748 1.00 73.43 H new ATOM 0 HB3 GLU A 74 10.925 12.932 -18.746 1.00 73.43 H new ATOM 0 HG2 GLU A 74 10.669 10.428 -17.077 1.00 42.11 H new ATOM 0 HG3 GLU A 74 11.605 11.794 -16.505 1.00 42.11 H new ATOM 1146 N CYS A 75 9.847 12.268 -21.676 1.00 52.33 N ATOM 1147 CA CYS A 75 10.095 12.765 -23.024 1.00 30.44 C ATOM 1148 C CYS A 75 11.349 13.633 -23.063 1.00 34.34 C ATOM 1149 O CYS A 75 11.600 14.420 -22.150 1.00 73.51 O ATOM 1150 CB CYS A 75 8.891 13.566 -23.524 1.00 61.12 C ATOM 1151 SG CYS A 75 7.718 12.599 -24.528 1.00 64.44 S ATOM 0 H CYS A 75 8.949 12.549 -21.281 1.00 52.33 H new ATOM 0 HA CYS A 75 10.249 11.906 -23.678 1.00 30.44 H new ATOM 0 HB2 CYS A 75 8.362 13.980 -22.666 1.00 61.12 H new ATOM 0 HB3 CYS A 75 9.249 14.409 -24.115 1.00 61.12 H new ATOM 1157 N ASP A 76 12.133 13.484 -24.126 1.00 24.23 N ATOM 1158 CA ASP A 76 13.360 14.255 -24.284 1.00 21.43 C ATOM 1159 C ASP A 76 13.104 15.523 -25.094 1.00 41.24 C ATOM 1160 O ASP A 76 12.405 15.496 -26.108 1.00 3.30 O ATOM 1161 CB ASP A 76 14.434 13.408 -24.967 1.00 63.23 C ATOM 1162 CG ASP A 76 15.752 13.430 -24.217 1.00 24.31 C ATOM 1163 OD1 ASP A 76 15.731 13.274 -22.978 1.00 42.14 O ATOM 1164 OD2 ASP A 76 16.804 13.605 -24.868 1.00 21.42 O ATOM 0 H ASP A 76 11.940 12.837 -24.890 1.00 24.23 H new ATOM 0 HA ASP A 76 13.710 14.543 -23.293 1.00 21.43 H new ATOM 0 HB2 ASP A 76 14.083 12.379 -25.050 1.00 63.23 H new ATOM 0 HB3 ASP A 76 14.590 13.774 -25.982 1.00 63.23 H new ATOM 1169 N THR A 77 13.675 16.634 -24.639 1.00 71.32 N ATOM 1170 CA THR A 77 13.508 17.913 -25.319 1.00 21.21 C ATOM 1171 C THR A 77 14.274 17.939 -26.637 1.00 5.42 C ATOM 1172 O THR A 77 14.120 18.861 -27.439 1.00 5.44 O ATOM 1173 CB THR A 77 13.983 19.084 -24.438 1.00 22.14 C ATOM 1174 OG1 THR A 77 15.216 18.744 -23.795 1.00 34.51 O ATOM 1175 CG2 THR A 77 12.936 19.430 -23.389 1.00 41.33 C ATOM 0 H THR A 77 14.257 16.674 -23.802 1.00 71.32 H new ATOM 0 HA THR A 77 12.443 18.028 -25.519 1.00 21.21 H new ATOM 0 HB THR A 77 14.135 19.953 -25.077 1.00 22.14 H new ATOM 0 HG1 THR A 77 15.512 19.494 -23.238 1.00 34.51 H new ATOM 0 HG21 THR A 77 13.293 20.259 -22.778 1.00 41.33 H new ATOM 0 HG22 THR A 77 12.007 19.716 -23.883 1.00 41.33 H new ATOM 0 HG23 THR A 77 12.757 18.563 -22.754 1.00 41.33 H new ATOM 1183 N THR A 78 15.101 16.922 -26.855 1.00 72.43 N ATOM 1184 CA THR A 78 15.892 16.829 -28.076 1.00 22.14 C ATOM 1185 C THR A 78 15.189 15.972 -29.123 1.00 42.22 C ATOM 1186 O THR A 78 15.837 15.277 -29.907 1.00 21.35 O ATOM 1187 CB THR A 78 17.288 16.238 -27.797 1.00 34.43 C ATOM 1188 OG1 THR A 78 17.691 16.544 -26.458 1.00 35.40 O ATOM 1189 CG2 THR A 78 18.313 16.786 -28.779 1.00 2.33 C ATOM 0 H THR A 78 15.241 16.151 -26.202 1.00 72.43 H new ATOM 0 HA THR A 78 16.005 17.844 -28.458 1.00 22.14 H new ATOM 0 HB THR A 78 17.232 15.156 -27.920 1.00 34.43 H new ATOM 0 HG1 THR A 78 18.578 16.164 -26.288 1.00 35.40 H new ATOM 0 HG21 THR A 78 19.291 16.355 -28.563 1.00 2.33 H new ATOM 0 HG22 THR A 78 18.018 16.526 -29.796 1.00 2.33 H new ATOM 0 HG23 THR A 78 18.365 17.870 -28.683 1.00 2.33 H new ATOM 1197 N THR A 79 13.861 16.025 -29.131 1.00 4.54 N ATOM 1198 CA THR A 79 13.071 15.253 -30.081 1.00 2.12 C ATOM 1199 C THR A 79 11.580 15.386 -29.791 1.00 64.23 C ATOM 1200 O THR A 79 10.760 15.415 -30.708 1.00 0.34 O ATOM 1201 CB THR A 79 13.457 13.763 -30.053 1.00 61.23 C ATOM 1202 OG1 THR A 79 12.446 12.981 -30.699 1.00 52.12 O ATOM 1203 CG2 THR A 79 13.642 13.278 -28.623 1.00 52.24 C ATOM 0 H THR A 79 13.310 16.595 -28.489 1.00 4.54 H new ATOM 0 HA THR A 79 13.284 15.657 -31.071 1.00 2.12 H new ATOM 0 HB THR A 79 14.401 13.647 -30.585 1.00 61.23 H new ATOM 0 HG1 THR A 79 12.701 12.035 -30.678 1.00 52.12 H new ATOM 0 HG21 THR A 79 13.914 12.223 -28.629 1.00 52.24 H new ATOM 0 HG22 THR A 79 14.433 13.854 -28.143 1.00 52.24 H new ATOM 0 HG23 THR A 79 12.711 13.409 -28.071 1.00 52.24 H new ATOM 1211 N GLY A 80 11.235 15.464 -28.509 1.00 40.44 N ATOM 1212 CA GLY A 80 9.842 15.593 -28.122 1.00 44.22 C ATOM 1213 C GLY A 80 9.132 14.256 -28.061 1.00 52.01 C ATOM 1214 O GLY A 80 7.914 14.182 -28.232 1.00 4.43 O ATOM 0 H GLY A 80 11.895 15.440 -27.732 1.00 40.44 H new ATOM 0 HA2 GLY A 80 9.782 16.078 -27.147 1.00 44.22 H new ATOM 0 HA3 GLY A 80 9.329 16.241 -28.832 1.00 44.22 H new ATOM 1218 N THR A 81 9.893 13.193 -27.819 1.00 11.30 N ATOM 1219 CA THR A 81 9.329 11.852 -27.739 1.00 62.55 C ATOM 1220 C THR A 81 10.180 10.949 -26.852 1.00 54.51 C ATOM 1221 O THR A 81 11.266 11.335 -26.419 1.00 1.12 O ATOM 1222 CB THR A 81 9.206 11.211 -29.134 1.00 23.51 C ATOM 1223 OG1 THR A 81 10.249 10.248 -29.326 1.00 0.14 O ATOM 1224 CG2 THR A 81 9.279 12.268 -30.225 1.00 41.54 C ATOM 0 H THR A 81 10.902 13.235 -27.675 1.00 11.30 H new ATOM 0 HA THR A 81 8.335 11.953 -27.303 1.00 62.55 H new ATOM 0 HB THR A 81 8.238 10.714 -29.195 1.00 23.51 H new ATOM 0 HG1 THR A 81 10.162 9.844 -30.215 1.00 0.14 H new ATOM 0 HG21 THR A 81 9.190 11.790 -31.201 1.00 41.54 H new ATOM 0 HG22 THR A 81 8.466 12.982 -30.095 1.00 41.54 H new ATOM 0 HG23 THR A 81 10.234 12.790 -30.162 1.00 41.54 H new ATOM 1232 N ARG A 82 9.680 9.747 -26.586 1.00 50.03 N ATOM 1233 CA ARG A 82 10.395 8.791 -25.750 1.00 21.13 C ATOM 1234 C ARG A 82 10.094 7.359 -26.182 1.00 23.41 C ATOM 1235 O ARG A 82 8.991 7.056 -26.637 1.00 51.20 O ATOM 1236 CB ARG A 82 10.014 8.982 -24.280 1.00 44.10 C ATOM 1237 CG ARG A 82 11.080 8.505 -23.307 1.00 54.14 C ATOM 1238 CD ARG A 82 12.401 9.228 -23.531 1.00 32.45 C ATOM 1239 NE ARG A 82 13.316 8.451 -24.361 1.00 70.33 N ATOM 1240 CZ ARG A 82 14.017 7.416 -23.912 1.00 44.33 C ATOM 1241 NH1 ARG A 82 13.909 7.037 -22.646 1.00 24.44 N ATOM 1242 NH2 ARG A 82 14.830 6.758 -24.730 1.00 44.23 N ATOM 0 H ARG A 82 8.783 9.412 -26.937 1.00 50.03 H new ATOM 0 HA ARG A 82 11.464 8.971 -25.868 1.00 21.13 H new ATOM 0 HB2 ARG A 82 9.816 10.038 -24.099 1.00 44.10 H new ATOM 0 HB3 ARG A 82 9.086 8.445 -24.081 1.00 44.10 H new ATOM 0 HG2 ARG A 82 10.742 8.671 -22.284 1.00 54.14 H new ATOM 0 HG3 ARG A 82 11.227 7.431 -23.424 1.00 54.14 H new ATOM 0 HD2 ARG A 82 12.211 10.191 -24.005 1.00 32.45 H new ATOM 0 HD3 ARG A 82 12.870 9.433 -22.569 1.00 32.45 H new ATOM 0 HE ARG A 82 13.423 8.717 -25.340 1.00 70.33 H new ATOM 0 HH11 ARG A 82 13.286 7.541 -22.014 1.00 24.44 H new ATOM 0 HH12 ARG A 82 14.448 6.242 -22.304 1.00 24.44 H new ATOM 0 HH21 ARG A 82 14.917 7.047 -25.704 1.00 44.23 H new ATOM 0 HH22 ARG A 82 15.368 5.963 -24.384 1.00 44.23 H new ATOM 1256 N SER A 83 11.083 6.482 -26.038 1.00 22.23 N ATOM 1257 CA SER A 83 10.925 5.083 -26.417 1.00 61.04 C ATOM 1258 C SER A 83 10.856 4.189 -25.182 1.00 75.11 C ATOM 1259 O SER A 83 11.439 4.502 -24.144 1.00 64.20 O ATOM 1260 CB SER A 83 12.083 4.643 -27.315 1.00 41.10 C ATOM 1261 OG SER A 83 13.321 4.725 -26.628 1.00 34.34 O ATOM 0 H SER A 83 12.002 6.716 -25.662 1.00 22.23 H new ATOM 0 HA SER A 83 9.989 4.985 -26.967 1.00 61.04 H new ATOM 0 HB2 SER A 83 11.918 3.620 -27.652 1.00 41.10 H new ATOM 0 HB3 SER A 83 12.115 5.271 -28.206 1.00 41.10 H new ATOM 0 HG SER A 83 14.056 4.593 -27.262 1.00 34.34 H new ATOM 1267 N ARG A 84 10.139 3.077 -25.304 1.00 32.30 N ATOM 1268 CA ARG A 84 9.991 2.138 -24.199 1.00 53.33 C ATOM 1269 C ARG A 84 10.482 0.749 -24.597 1.00 43.52 C ATOM 1270 O ARG A 84 10.301 0.318 -25.735 1.00 54.33 O ATOM 1271 CB ARG A 84 8.530 2.066 -23.755 1.00 2.54 C ATOM 1272 CG ARG A 84 8.240 0.922 -22.797 1.00 71.21 C ATOM 1273 CD ARG A 84 6.821 0.996 -22.253 1.00 60.24 C ATOM 1274 NE ARG A 84 5.824 0.733 -23.287 1.00 73.03 N ATOM 1275 CZ ARG A 84 4.531 0.559 -23.035 1.00 53.43 C ATOM 1276 NH1 ARG A 84 4.082 0.620 -21.789 1.00 43.42 N ATOM 1277 NH2 ARG A 84 3.686 0.325 -24.029 1.00 60.52 N ATOM 0 H ARG A 84 9.651 2.804 -26.157 1.00 32.30 H new ATOM 0 HA ARG A 84 10.599 2.495 -23.368 1.00 53.33 H new ATOM 0 HB2 ARG A 84 8.258 3.007 -23.277 1.00 2.54 H new ATOM 0 HB3 ARG A 84 7.896 1.961 -24.636 1.00 2.54 H new ATOM 0 HG2 ARG A 84 8.385 -0.029 -23.310 1.00 71.21 H new ATOM 0 HG3 ARG A 84 8.950 0.950 -21.970 1.00 71.21 H new ATOM 0 HD2 ARG A 84 6.704 0.274 -21.445 1.00 60.24 H new ATOM 0 HD3 ARG A 84 6.648 1.983 -21.825 1.00 60.24 H new ATOM 0 HE ARG A 84 6.137 0.680 -24.256 1.00 73.03 H new ATOM 0 HH11 ARG A 84 4.729 0.801 -21.022 1.00 43.42 H new ATOM 0 HH12 ARG A 84 3.089 0.486 -21.598 1.00 43.42 H new ATOM 0 HH21 ARG A 84 4.028 0.278 -24.989 1.00 60.52 H new ATOM 0 HH22 ARG A 84 2.694 0.192 -23.834 1.00 60.52 H new ATOM 1291 N SER A 85 11.105 0.054 -23.650 1.00 71.54 N ATOM 1292 CA SER A 85 11.627 -1.284 -23.902 1.00 21.41 C ATOM 1293 C SER A 85 10.919 -2.316 -23.029 1.00 71.42 C ATOM 1294 O SER A 85 10.856 -2.174 -21.809 1.00 22.24 O ATOM 1295 CB SER A 85 13.133 -1.326 -23.642 1.00 12.11 C ATOM 1296 OG SER A 85 13.407 -1.510 -22.264 1.00 42.14 O ATOM 0 H SER A 85 11.260 0.396 -22.702 1.00 71.54 H new ATOM 0 HA SER A 85 11.441 -1.528 -24.948 1.00 21.41 H new ATOM 0 HB2 SER A 85 13.582 -2.136 -24.217 1.00 12.11 H new ATOM 0 HB3 SER A 85 13.591 -0.399 -23.987 1.00 12.11 H new ATOM 0 HG SER A 85 12.564 -1.557 -21.766 1.00 42.14 H new ATOM 1302 N GLY A 86 10.388 -3.356 -23.665 1.00 63.54 N ATOM 1303 CA GLY A 86 9.692 -4.397 -22.931 1.00 60.32 C ATOM 1304 C GLY A 86 10.283 -5.771 -23.174 1.00 65.33 C ATOM 1305 O GLY A 86 10.729 -6.078 -24.281 1.00 23.35 O ATOM 0 H GLY A 86 10.427 -3.496 -24.675 1.00 63.54 H new ATOM 0 HA2 GLY A 86 9.729 -4.172 -21.865 1.00 60.32 H new ATOM 0 HA3 GLY A 86 8.641 -4.401 -23.220 1.00 60.32 H new ATOM 1309 N THR A 87 10.291 -6.602 -22.137 1.00 24.32 N ATOM 1310 CA THR A 87 10.834 -7.952 -22.241 1.00 15.51 C ATOM 1311 C THR A 87 9.728 -8.997 -22.167 1.00 24.42 C ATOM 1312 O THR A 87 8.962 -9.040 -21.202 1.00 54.35 O ATOM 1313 CB THR A 87 11.864 -8.229 -21.129 1.00 14.05 C ATOM 1314 OG1 THR A 87 11.209 -8.281 -19.857 1.00 53.41 O ATOM 1315 CG2 THR A 87 12.940 -7.154 -21.108 1.00 63.24 C ATOM 0 H THR A 87 9.927 -6.364 -21.214 1.00 24.32 H new ATOM 0 HA THR A 87 11.329 -8.021 -23.210 1.00 15.51 H new ATOM 0 HB THR A 87 12.337 -9.190 -21.333 1.00 14.05 H new ATOM 0 HG1 THR A 87 10.305 -8.642 -19.969 1.00 53.41 H new ATOM 0 HG21 THR A 87 13.656 -7.371 -20.315 1.00 63.24 H new ATOM 0 HG22 THR A 87 13.456 -7.137 -22.068 1.00 63.24 H new ATOM 0 HG23 THR A 87 12.480 -6.183 -20.926 1.00 63.24 H new ATOM 1323 N LEU A 88 9.650 -9.841 -23.190 1.00 30.13 N ATOM 1324 CA LEU A 88 8.636 -10.889 -23.240 1.00 21.12 C ATOM 1325 C LEU A 88 9.228 -12.238 -22.843 1.00 21.14 C ATOM 1326 O LEU A 88 10.369 -12.553 -23.183 1.00 34.44 O ATOM 1327 CB LEU A 88 8.034 -10.978 -24.644 1.00 51.55 C ATOM 1328 CG LEU A 88 7.951 -12.378 -25.252 1.00 42.03 C ATOM 1329 CD1 LEU A 88 6.706 -12.513 -26.114 1.00 73.34 C ATOM 1330 CD2 LEU A 88 9.201 -12.681 -26.065 1.00 25.12 C ATOM 0 H LEU A 88 10.276 -9.820 -23.995 1.00 30.13 H new ATOM 0 HA LEU A 88 7.850 -10.634 -22.530 1.00 21.12 H new ATOM 0 HB2 LEU A 88 7.029 -10.557 -24.614 1.00 51.55 H new ATOM 0 HB3 LEU A 88 8.624 -10.349 -25.311 1.00 51.55 H new ATOM 0 HG LEU A 88 7.885 -13.103 -24.440 1.00 42.03 H new ATOM 0 HD11 LEU A 88 6.664 -13.516 -26.538 1.00 73.34 H new ATOM 0 HD12 LEU A 88 5.820 -12.340 -25.503 1.00 73.34 H new ATOM 0 HD13 LEU A 88 6.740 -11.780 -26.920 1.00 73.34 H new ATOM 0 HD21 LEU A 88 9.125 -13.682 -26.490 1.00 25.12 H new ATOM 0 HD22 LEU A 88 9.298 -11.951 -26.869 1.00 25.12 H new ATOM 0 HD23 LEU A 88 10.077 -12.627 -25.419 1.00 25.12 H new ATOM 1342 N LYS A 89 8.444 -13.033 -22.122 1.00 11.04 N ATOM 1343 CA LYS A 89 8.887 -14.350 -21.680 1.00 44.45 C ATOM 1344 C LYS A 89 8.038 -15.449 -22.309 1.00 31.14 C ATOM 1345 O LYS A 89 8.553 -16.494 -22.711 1.00 15.43 O ATOM 1346 CB LYS A 89 8.820 -14.448 -20.154 1.00 73.50 C ATOM 1347 CG LYS A 89 10.166 -14.711 -19.501 1.00 23.20 C ATOM 1348 CD LYS A 89 10.007 -15.159 -18.058 1.00 61.35 C ATOM 1349 CE LYS A 89 11.019 -14.479 -17.149 1.00 11.21 C ATOM 1350 NZ LYS A 89 12.277 -15.268 -17.029 1.00 75.51 N ATOM 0 H LYS A 89 7.498 -12.788 -21.831 1.00 11.04 H new ATOM 0 HA LYS A 89 9.920 -14.485 -22.001 1.00 44.45 H new ATOM 0 HB2 LYS A 89 8.408 -13.520 -19.757 1.00 73.50 H new ATOM 0 HB3 LYS A 89 8.130 -15.246 -19.880 1.00 73.50 H new ATOM 0 HG2 LYS A 89 10.701 -15.476 -20.064 1.00 23.20 H new ATOM 0 HG3 LYS A 89 10.772 -13.806 -19.537 1.00 23.20 H new ATOM 0 HD2 LYS A 89 8.998 -14.932 -17.715 1.00 61.35 H new ATOM 0 HD3 LYS A 89 10.129 -16.240 -17.996 1.00 61.35 H new ATOM 0 HE2 LYS A 89 11.248 -13.487 -17.539 1.00 11.21 H new ATOM 0 HE3 LYS A 89 10.582 -14.339 -16.160 1.00 11.21 H new ATOM 0 HZ1 LYS A 89 12.940 -14.770 -16.401 1.00 75.51 H new ATOM 0 HZ2 LYS A 89 12.062 -16.205 -16.633 1.00 75.51 H new ATOM 0 HZ3 LYS A 89 12.708 -15.380 -17.969 1.00 75.51 H new ATOM 1364 N LYS A 90 6.734 -15.207 -22.394 1.00 44.04 N ATOM 1365 CA LYS A 90 5.813 -16.176 -22.977 1.00 4.34 C ATOM 1366 C LYS A 90 5.632 -15.924 -24.470 1.00 22.31 C ATOM 1367 O LYS A 90 5.320 -14.809 -24.888 1.00 24.10 O ATOM 1368 CB LYS A 90 4.457 -16.110 -22.270 1.00 32.33 C ATOM 1369 CG LYS A 90 3.830 -17.472 -22.026 1.00 60.45 C ATOM 1370 CD LYS A 90 4.699 -18.331 -21.122 1.00 50.10 C ATOM 1371 CE LYS A 90 3.868 -19.054 -20.073 1.00 35.51 C ATOM 1372 NZ LYS A 90 3.147 -18.103 -19.182 1.00 40.14 N ATOM 0 H LYS A 90 6.291 -14.348 -22.067 1.00 44.04 H new ATOM 0 HA LYS A 90 6.238 -17.171 -22.843 1.00 4.34 H new ATOM 0 HB2 LYS A 90 4.579 -15.600 -21.315 1.00 32.33 H new ATOM 0 HB3 LYS A 90 3.774 -15.507 -22.868 1.00 32.33 H new ATOM 0 HG2 LYS A 90 2.846 -17.345 -21.574 1.00 60.45 H new ATOM 0 HG3 LYS A 90 3.680 -17.980 -22.978 1.00 60.45 H new ATOM 0 HD2 LYS A 90 5.242 -19.060 -21.723 1.00 50.10 H new ATOM 0 HD3 LYS A 90 5.444 -17.705 -20.630 1.00 50.10 H new ATOM 0 HE2 LYS A 90 3.147 -19.706 -20.567 1.00 35.51 H new ATOM 0 HE3 LYS A 90 4.517 -19.693 -19.473 1.00 35.51 H new ATOM 0 HZ1 LYS A 90 3.027 -18.531 -18.242 1.00 40.14 H new ATOM 0 HZ2 LYS A 90 3.696 -17.224 -19.095 1.00 40.14 H new ATOM 0 HZ3 LYS A 90 2.213 -17.889 -19.586 1.00 40.14 H new ATOM 1386 N ALA A 91 5.829 -16.967 -25.270 1.00 51.31 N ATOM 1387 CA ALA A 91 5.685 -16.859 -26.716 1.00 4.23 C ATOM 1388 C ALA A 91 4.364 -17.464 -27.182 1.00 55.12 C ATOM 1389 O ALA A 91 3.443 -16.743 -27.571 1.00 44.04 O ATOM 1390 CB ALA A 91 6.854 -17.537 -27.415 1.00 33.24 C ATOM 0 H ALA A 91 6.089 -17.897 -24.940 1.00 51.31 H new ATOM 0 HA ALA A 91 5.683 -15.801 -26.979 1.00 4.23 H new ATOM 0 HB1 ALA A 91 6.733 -17.449 -28.495 1.00 33.24 H new ATOM 0 HB2 ALA A 91 7.786 -17.058 -27.114 1.00 33.24 H new ATOM 0 HB3 ALA A 91 6.882 -18.591 -27.138 1.00 33.24 H new ATOM 1396 N LEU A 92 4.278 -18.788 -27.141 1.00 65.22 N ATOM 1397 CA LEU A 92 3.070 -19.490 -27.560 1.00 33.44 C ATOM 1398 C LEU A 92 2.793 -19.261 -29.043 1.00 13.32 C ATOM 1399 O LEU A 92 3.593 -18.641 -29.746 1.00 21.43 O ATOM 1400 CB LEU A 92 1.873 -19.026 -26.729 1.00 31.32 C ATOM 1401 CG LEU A 92 2.149 -18.745 -25.252 1.00 44.13 C ATOM 1402 CD1 LEU A 92 0.871 -18.338 -24.537 1.00 14.50 C ATOM 1403 CD2 LEU A 92 2.769 -19.966 -24.585 1.00 13.50 C ATOM 0 H LEU A 92 5.031 -19.398 -26.822 1.00 65.22 H new ATOM 0 HA LEU A 92 3.225 -20.557 -27.399 1.00 33.44 H new ATOM 0 HB2 LEU A 92 1.472 -18.119 -27.182 1.00 31.32 H new ATOM 0 HB3 LEU A 92 1.095 -19.786 -26.794 1.00 31.32 H new ATOM 0 HG LEU A 92 2.857 -17.919 -25.185 1.00 44.13 H new ATOM 0 HD11 LEU A 92 1.088 -18.142 -23.487 1.00 14.50 H new ATOM 0 HD12 LEU A 92 0.467 -17.437 -24.998 1.00 14.50 H new ATOM 0 HD13 LEU A 92 0.140 -19.143 -24.612 1.00 14.50 H new ATOM 0 HD21 LEU A 92 2.959 -19.749 -23.534 1.00 13.50 H new ATOM 0 HD22 LEU A 92 2.084 -20.810 -24.663 1.00 13.50 H new ATOM 0 HD23 LEU A 92 3.708 -20.214 -25.080 1.00 13.50 H new ATOM 1415 N PHE A 93 1.655 -19.762 -29.512 1.00 12.31 N ATOM 1416 CA PHE A 93 1.272 -19.610 -30.911 1.00 43.40 C ATOM 1417 C PHE A 93 2.266 -20.319 -31.827 1.00 3.21 C ATOM 1418 O PHE A 93 2.304 -20.068 -33.030 1.00 44.34 O ATOM 1419 CB PHE A 93 1.189 -18.128 -31.281 1.00 2.02 C ATOM 1420 CG PHE A 93 0.472 -17.873 -32.576 1.00 31.13 C ATOM 1421 CD1 PHE A 93 -0.729 -18.506 -32.854 1.00 31.05 C ATOM 1422 CD2 PHE A 93 0.997 -17.000 -33.515 1.00 24.10 C ATOM 1423 CE1 PHE A 93 -1.392 -18.273 -34.044 1.00 60.42 C ATOM 1424 CE2 PHE A 93 0.339 -16.764 -34.706 1.00 15.23 C ATOM 1425 CZ PHE A 93 -0.857 -17.402 -34.972 1.00 53.31 C ATOM 0 H PHE A 93 0.982 -20.277 -28.944 1.00 12.31 H new ATOM 0 HA PHE A 93 0.291 -20.066 -31.045 1.00 43.40 H new ATOM 0 HB2 PHE A 93 0.680 -17.590 -30.481 1.00 2.02 H new ATOM 0 HB3 PHE A 93 2.198 -17.721 -31.347 1.00 2.02 H new ATOM 0 HD1 PHE A 93 -1.152 -19.189 -32.132 1.00 31.05 H new ATOM 0 HD2 PHE A 93 1.932 -16.498 -33.313 1.00 24.10 H new ATOM 0 HE1 PHE A 93 -2.328 -18.772 -34.248 1.00 60.42 H new ATOM 0 HE2 PHE A 93 0.759 -16.081 -35.429 1.00 15.23 H new ATOM 0 HZ PHE A 93 -1.372 -17.220 -35.904 1.00 53.31 H new ATOM 1435 N ASN A 94 3.068 -21.206 -31.246 1.00 21.33 N ATOM 1436 CA ASN A 94 4.062 -21.951 -32.009 1.00 25.11 C ATOM 1437 C ASN A 94 4.927 -21.010 -32.840 1.00 61.44 C ATOM 1438 O ASN A 94 5.418 -21.381 -33.907 1.00 11.13 O ATOM 1439 CB ASN A 94 3.377 -22.972 -32.920 1.00 70.12 C ATOM 1440 CG ASN A 94 2.754 -24.116 -32.142 1.00 53.41 C ATOM 1441 OD1 ASN A 94 2.542 -24.016 -30.934 1.00 2.43 O ATOM 1442 ND2 ASN A 94 2.459 -25.210 -32.834 1.00 44.21 N ATOM 0 H ASN A 94 3.049 -21.426 -30.250 1.00 21.33 H new ATOM 0 HA ASN A 94 4.705 -22.478 -31.304 1.00 25.11 H new ATOM 0 HB2 ASN A 94 2.606 -22.472 -33.506 1.00 70.12 H new ATOM 0 HB3 ASN A 94 4.105 -23.371 -33.626 1.00 70.12 H new ATOM 0 HD21 ASN A 94 2.039 -26.012 -32.365 1.00 44.21 H new ATOM 0 HD22 ASN A 94 2.653 -25.248 -33.835 1.00 44.21 H new ATOM 1449 N ALA A 95 5.110 -19.791 -32.346 1.00 51.41 N ATOM 1450 CA ALA A 95 5.918 -18.796 -33.042 1.00 3.01 C ATOM 1451 C ALA A 95 6.664 -17.906 -32.053 1.00 35.23 C ATOM 1452 O ALA A 95 6.051 -17.141 -31.310 1.00 14.41 O ATOM 1453 CB ALA A 95 5.043 -17.954 -33.959 1.00 62.24 C ATOM 0 H ALA A 95 4.710 -19.467 -31.465 1.00 51.41 H new ATOM 0 HA ALA A 95 6.658 -19.321 -33.646 1.00 3.01 H new ATOM 0 HB1 ALA A 95 5.659 -17.215 -34.472 1.00 62.24 H new ATOM 0 HB2 ALA A 95 4.561 -18.598 -34.694 1.00 62.24 H new ATOM 0 HB3 ALA A 95 4.282 -17.444 -33.368 1.00 62.24 H new ATOM 1459 N GLU A 96 7.988 -18.011 -32.052 1.00 42.02 N ATOM 1460 CA GLU A 96 8.817 -17.215 -31.154 1.00 22.21 C ATOM 1461 C GLU A 96 8.592 -15.724 -31.385 1.00 43.03 C ATOM 1462 O GLU A 96 8.610 -15.251 -32.522 1.00 15.42 O ATOM 1463 CB GLU A 96 10.296 -17.556 -31.350 1.00 22.54 C ATOM 1464 CG GLU A 96 10.682 -18.924 -30.812 1.00 15.45 C ATOM 1465 CD GLU A 96 12.182 -19.145 -30.803 1.00 32.21 C ATOM 1466 OE1 GLU A 96 12.857 -18.676 -31.743 1.00 34.35 O ATOM 1467 OE2 GLU A 96 12.680 -19.788 -29.856 1.00 11.12 O ATOM 0 H GLU A 96 8.510 -18.639 -32.663 1.00 42.02 H new ATOM 0 HA GLU A 96 8.530 -17.454 -30.130 1.00 22.21 H new ATOM 0 HB2 GLU A 96 10.532 -17.513 -32.413 1.00 22.54 H new ATOM 0 HB3 GLU A 96 10.904 -16.797 -30.858 1.00 22.54 H new ATOM 0 HG2 GLU A 96 10.296 -19.034 -29.798 1.00 15.45 H new ATOM 0 HG3 GLU A 96 10.208 -19.696 -31.419 1.00 15.45 H new ATOM 1474 N CYS A 97 8.381 -14.988 -30.299 1.00 32.12 N ATOM 1475 CA CYS A 97 8.152 -13.550 -30.382 1.00 20.04 C ATOM 1476 C CYS A 97 9.406 -12.776 -29.987 1.00 74.53 C ATOM 1477 O CYS A 97 10.317 -13.326 -29.370 1.00 62.24 O ATOM 1478 CB CYS A 97 6.985 -13.146 -29.478 1.00 75.55 C ATOM 1479 SG CYS A 97 5.389 -13.004 -30.345 1.00 25.22 S ATOM 0 H CYS A 97 8.364 -15.364 -29.351 1.00 32.12 H new ATOM 0 HA CYS A 97 7.905 -13.305 -31.415 1.00 20.04 H new ATOM 0 HB2 CYS A 97 6.888 -13.880 -28.678 1.00 75.55 H new ATOM 0 HB3 CYS A 97 7.217 -12.191 -29.008 1.00 75.55 H new ATOM 1485 N GLN A 98 9.444 -11.498 -30.349 1.00 52.30 N ATOM 1486 CA GLN A 98 10.587 -10.649 -30.034 1.00 30.13 C ATOM 1487 C GLN A 98 10.734 -10.474 -28.526 1.00 54.31 C ATOM 1488 O GLN A 98 9.834 -9.963 -27.858 1.00 43.44 O ATOM 1489 CB GLN A 98 10.435 -9.283 -30.706 1.00 10.33 C ATOM 1490 CG GLN A 98 10.004 -9.365 -32.161 1.00 65.31 C ATOM 1491 CD GLN A 98 8.579 -8.895 -32.376 1.00 2.24 C ATOM 1492 OE1 GLN A 98 7.668 -9.283 -31.644 1.00 54.21 O ATOM 1493 NE2 GLN A 98 8.378 -8.055 -33.384 1.00 33.40 N ATOM 0 H GLN A 98 8.697 -11.028 -30.860 1.00 52.30 H new ATOM 0 HA GLN A 98 11.485 -11.135 -30.415 1.00 30.13 H new ATOM 0 HB2 GLN A 98 9.704 -8.694 -30.152 1.00 10.33 H new ATOM 0 HB3 GLN A 98 11.384 -8.751 -30.646 1.00 10.33 H new ATOM 0 HG2 GLN A 98 10.677 -8.761 -32.770 1.00 65.31 H new ATOM 0 HG3 GLN A 98 10.099 -10.394 -32.506 1.00 65.31 H new ATOM 0 HE21 GLN A 98 9.162 -7.759 -33.966 1.00 33.40 H new ATOM 0 HE22 GLN A 98 7.439 -7.705 -33.577 1.00 33.40 H new ATOM 1502 N THR A 99 11.876 -10.900 -27.994 1.00 32.12 N ATOM 1503 CA THR A 99 12.141 -10.792 -26.565 1.00 74.55 C ATOM 1504 C THR A 99 12.311 -9.336 -26.147 1.00 53.52 C ATOM 1505 O THR A 99 12.375 -9.024 -24.957 1.00 24.30 O ATOM 1506 CB THR A 99 13.402 -11.580 -26.167 1.00 44.45 C ATOM 1507 OG1 THR A 99 14.566 -10.961 -26.729 1.00 32.32 O ATOM 1508 CG2 THR A 99 13.312 -13.023 -26.640 1.00 23.43 C ATOM 0 H THR A 99 12.632 -11.323 -28.532 1.00 32.12 H new ATOM 0 HA THR A 99 11.279 -11.217 -26.050 1.00 74.55 H new ATOM 0 HB THR A 99 13.477 -11.575 -25.080 1.00 44.45 H new ATOM 0 HG1 THR A 99 15.364 -11.468 -26.469 1.00 32.32 H new ATOM 0 HG21 THR A 99 14.215 -13.559 -26.347 1.00 23.43 H new ATOM 0 HG22 THR A 99 12.443 -13.501 -26.187 1.00 23.43 H new ATOM 0 HG23 THR A 99 13.214 -13.045 -27.725 1.00 23.43 H new ATOM 1516 N THR A 100 12.385 -8.446 -27.131 1.00 75.44 N ATOM 1517 CA THR A 100 12.548 -7.022 -26.865 1.00 64.22 C ATOM 1518 C THR A 100 11.686 -6.185 -27.802 1.00 72.04 C ATOM 1519 O THR A 100 11.616 -6.453 -29.002 1.00 64.33 O ATOM 1520 CB THR A 100 14.019 -6.588 -27.014 1.00 63.35 C ATOM 1521 OG1 THR A 100 14.862 -7.742 -27.115 1.00 12.33 O ATOM 1522 CG2 THR A 100 14.454 -5.737 -25.831 1.00 2.30 C ATOM 0 H THR A 100 12.335 -8.686 -28.121 1.00 75.44 H new ATOM 0 HA THR A 100 12.229 -6.854 -25.836 1.00 64.22 H new ATOM 0 HB THR A 100 14.110 -5.992 -27.922 1.00 63.35 H new ATOM 0 HG1 THR A 100 15.795 -7.458 -27.211 1.00 12.33 H new ATOM 0 HG21 THR A 100 15.496 -5.442 -25.958 1.00 2.30 H new ATOM 0 HG22 THR A 100 13.829 -4.846 -25.775 1.00 2.30 H new ATOM 0 HG23 THR A 100 14.349 -6.312 -24.911 1.00 2.30 H new ATOM 1530 N ILE A 101 11.032 -5.170 -27.248 1.00 41.04 N ATOM 1531 CA ILE A 101 10.176 -4.292 -28.037 1.00 3.13 C ATOM 1532 C ILE A 101 10.717 -2.867 -28.053 1.00 74.41 C ATOM 1533 O ILE A 101 11.193 -2.360 -27.038 1.00 14.52 O ATOM 1534 CB ILE A 101 8.734 -4.277 -27.494 1.00 74.15 C ATOM 1535 CG1 ILE A 101 8.637 -5.116 -26.218 1.00 21.11 C ATOM 1536 CG2 ILE A 101 7.766 -4.791 -28.548 1.00 21.44 C ATOM 1537 CD1 ILE A 101 7.256 -5.120 -25.601 1.00 74.50 C ATOM 0 H ILE A 101 11.078 -4.935 -26.257 1.00 41.04 H new ATOM 0 HA ILE A 101 10.169 -4.686 -29.053 1.00 3.13 H new ATOM 0 HB ILE A 101 8.464 -3.249 -27.251 1.00 74.15 H new ATOM 0 HG12 ILE A 101 8.928 -6.142 -26.444 1.00 21.11 H new ATOM 0 HG13 ILE A 101 9.351 -4.736 -25.488 1.00 21.11 H new ATOM 0 HG21 ILE A 101 6.752 -4.774 -28.149 1.00 21.44 H new ATOM 0 HG22 ILE A 101 7.819 -4.155 -29.432 1.00 21.44 H new ATOM 0 HG23 ILE A 101 8.032 -5.812 -28.819 1.00 21.44 H new ATOM 0 HD11 ILE A 101 7.262 -5.734 -24.701 1.00 74.50 H new ATOM 0 HD12 ILE A 101 6.970 -4.100 -25.343 1.00 74.50 H new ATOM 0 HD13 ILE A 101 6.540 -5.528 -26.314 1.00 74.50 H new ATOM 1549 N LYS A 102 10.638 -2.224 -29.213 1.00 14.42 N ATOM 1550 CA LYS A 102 11.116 -0.855 -29.363 1.00 53.23 C ATOM 1551 C LYS A 102 9.996 0.064 -29.842 1.00 11.31 C ATOM 1552 O LYS A 102 9.796 0.243 -31.043 1.00 40.05 O ATOM 1553 CB LYS A 102 12.286 -0.806 -30.350 1.00 41.22 C ATOM 1554 CG LYS A 102 13.126 0.454 -30.236 1.00 11.22 C ATOM 1555 CD LYS A 102 14.431 0.190 -29.505 1.00 12.40 C ATOM 1556 CE LYS A 102 15.158 1.485 -29.176 1.00 75.01 C ATOM 1557 NZ LYS A 102 14.676 2.085 -27.901 1.00 23.01 N ATOM 0 H LYS A 102 10.247 -2.629 -30.063 1.00 14.42 H new ATOM 0 HA LYS A 102 11.456 -0.507 -28.387 1.00 53.23 H new ATOM 0 HB2 LYS A 102 12.925 -1.674 -30.187 1.00 41.22 H new ATOM 0 HB3 LYS A 102 11.897 -0.883 -31.365 1.00 41.22 H new ATOM 0 HG2 LYS A 102 13.338 0.842 -31.232 1.00 11.22 H new ATOM 0 HG3 LYS A 102 12.561 1.222 -29.708 1.00 11.22 H new ATOM 0 HD2 LYS A 102 14.229 -0.359 -28.585 1.00 12.40 H new ATOM 0 HD3 LYS A 102 15.072 -0.442 -30.119 1.00 12.40 H new ATOM 0 HE2 LYS A 102 16.228 1.292 -29.104 1.00 75.01 H new ATOM 0 HE3 LYS A 102 15.016 2.197 -29.989 1.00 75.01 H new ATOM 0 HZ1 LYS A 102 15.196 2.966 -27.713 1.00 23.01 H new ATOM 0 HZ2 LYS A 102 13.660 2.293 -27.978 1.00 23.01 H new ATOM 0 HZ3 LYS A 102 14.835 1.416 -27.121 1.00 23.01 H new ATOM 1571 N VAL A 103 9.269 0.646 -28.893 1.00 23.24 N ATOM 1572 CA VAL A 103 8.170 1.547 -29.218 1.00 13.23 C ATOM 1573 C VAL A 103 8.520 2.989 -28.864 1.00 42.24 C ATOM 1574 O VAL A 103 9.435 3.242 -28.080 1.00 71.00 O ATOM 1575 CB VAL A 103 6.879 1.148 -28.479 1.00 11.34 C ATOM 1576 CG1 VAL A 103 6.256 -0.084 -29.119 1.00 43.44 C ATOM 1577 CG2 VAL A 103 7.163 0.908 -27.004 1.00 61.20 C ATOM 0 H VAL A 103 9.421 0.510 -27.894 1.00 23.24 H new ATOM 0 HA VAL A 103 8.003 1.469 -30.292 1.00 13.23 H new ATOM 0 HB VAL A 103 6.166 1.969 -28.559 1.00 11.34 H new ATOM 0 HG11 VAL A 103 5.345 -0.351 -28.583 1.00 43.44 H new ATOM 0 HG12 VAL A 103 6.015 0.129 -30.160 1.00 43.44 H new ATOM 0 HG13 VAL A 103 6.961 -0.914 -29.072 1.00 43.44 H new ATOM 0 HG21 VAL A 103 6.240 0.627 -26.497 1.00 61.20 H new ATOM 0 HG22 VAL A 103 7.893 0.105 -26.900 1.00 61.20 H new ATOM 0 HG23 VAL A 103 7.560 1.819 -26.557 1.00 61.20 H new ATOM 1587 N SER A 104 7.785 3.930 -29.447 1.00 71.02 N ATOM 1588 CA SER A 104 8.020 5.348 -29.197 1.00 24.41 C ATOM 1589 C SER A 104 6.717 6.138 -29.286 1.00 64.13 C ATOM 1590 O SER A 104 5.801 5.767 -30.020 1.00 42.43 O ATOM 1591 CB SER A 104 9.035 5.902 -30.196 1.00 53.23 C ATOM 1592 OG SER A 104 9.902 4.882 -30.662 1.00 33.52 O ATOM 0 H SER A 104 7.022 3.737 -30.096 1.00 71.02 H new ATOM 0 HA SER A 104 8.420 5.453 -28.189 1.00 24.41 H new ATOM 0 HB2 SER A 104 8.511 6.352 -31.040 1.00 53.23 H new ATOM 0 HB3 SER A 104 9.619 6.693 -29.725 1.00 53.23 H new ATOM 0 HG SER A 104 10.541 5.262 -31.301 1.00 33.52 H new ATOM 1598 N LYS A 105 6.643 7.230 -28.532 1.00 73.31 N ATOM 1599 CA LYS A 105 5.454 8.075 -28.525 1.00 74.25 C ATOM 1600 C LYS A 105 5.816 9.517 -28.183 1.00 33.25 C ATOM 1601 O LYS A 105 6.311 9.816 -27.097 1.00 14.13 O ATOM 1602 CB LYS A 105 4.430 7.542 -27.523 1.00 41.41 C ATOM 1603 CG LYS A 105 3.320 6.725 -28.161 1.00 53.11 C ATOM 1604 CD LYS A 105 2.043 6.782 -27.341 1.00 64.31 C ATOM 1605 CE LYS A 105 0.948 5.921 -27.955 1.00 2.54 C ATOM 1606 NZ LYS A 105 0.045 6.715 -28.833 1.00 70.03 N ATOM 0 H LYS A 105 7.392 7.551 -27.918 1.00 73.31 H new ATOM 0 HA LYS A 105 5.017 8.055 -29.524 1.00 74.25 H new ATOM 0 HB2 LYS A 105 4.944 6.926 -26.785 1.00 41.41 H new ATOM 0 HB3 LYS A 105 3.989 8.382 -26.986 1.00 41.41 H new ATOM 0 HG2 LYS A 105 3.125 7.098 -29.166 1.00 53.11 H new ATOM 0 HG3 LYS A 105 3.642 5.689 -28.262 1.00 53.11 H new ATOM 0 HD2 LYS A 105 2.246 6.444 -26.325 1.00 64.31 H new ATOM 0 HD3 LYS A 105 1.700 7.814 -27.271 1.00 64.31 H new ATOM 0 HE2 LYS A 105 1.401 5.116 -28.533 1.00 2.54 H new ATOM 0 HE3 LYS A 105 0.365 5.455 -27.161 1.00 2.54 H new ATOM 0 HZ1 LYS A 105 -0.687 6.093 -29.232 1.00 70.03 H new ATOM 0 HZ2 LYS A 105 -0.407 7.468 -28.276 1.00 70.03 H new ATOM 0 HZ3 LYS A 105 0.597 7.139 -29.605 1.00 70.03 H new ATOM 1620 N PRO A 106 5.559 10.433 -29.129 1.00 41.53 N ATOM 1621 CA PRO A 106 5.847 11.858 -28.949 1.00 53.22 C ATOM 1622 C PRO A 106 4.922 12.512 -27.928 1.00 42.22 C ATOM 1623 O PRO A 106 3.699 12.424 -28.036 1.00 33.51 O ATOM 1624 CB PRO A 106 5.608 12.447 -30.342 1.00 15.53 C ATOM 1625 CG PRO A 106 4.645 11.512 -30.988 1.00 71.23 C ATOM 1626 CD PRO A 106 4.969 10.147 -30.447 1.00 73.21 C ATOM 0 HA PRO A 106 6.854 12.025 -28.568 1.00 53.22 H new ATOM 0 HB2 PRO A 106 5.200 13.456 -30.281 1.00 15.53 H new ATOM 0 HB3 PRO A 106 6.537 12.513 -30.909 1.00 15.53 H new ATOM 0 HG2 PRO A 106 3.617 11.790 -30.757 1.00 71.23 H new ATOM 0 HG3 PRO A 106 4.746 11.536 -32.073 1.00 71.23 H new ATOM 0 HD2 PRO A 106 4.077 9.527 -30.362 1.00 73.21 H new ATOM 0 HD3 PRO A 106 5.667 9.614 -31.093 1.00 73.21 H new ATOM 1634 N CYS A 107 5.514 13.169 -26.936 1.00 20.12 N ATOM 1635 CA CYS A 107 4.744 13.838 -25.894 1.00 71.10 C ATOM 1636 C CYS A 107 5.437 15.121 -25.444 1.00 31.12 C ATOM 1637 O CYS A 107 6.643 15.286 -25.628 1.00 52.41 O ATOM 1638 CB CYS A 107 4.546 12.905 -24.698 1.00 51.44 C ATOM 1639 SG CYS A 107 6.012 12.747 -23.628 1.00 73.04 S ATOM 0 H CYS A 107 6.525 13.252 -26.832 1.00 20.12 H new ATOM 0 HA CYS A 107 3.770 14.098 -26.308 1.00 71.10 H new ATOM 0 HB2 CYS A 107 3.711 13.270 -24.100 1.00 51.44 H new ATOM 0 HB3 CYS A 107 4.268 11.917 -25.064 1.00 51.44 H new ATOM 1645 N THR A 108 4.665 16.028 -24.853 1.00 22.32 N ATOM 1646 CA THR A 108 5.204 17.296 -24.377 1.00 21.43 C ATOM 1647 C THR A 108 5.283 17.323 -22.855 1.00 32.22 C ATOM 1648 O THR A 108 4.436 16.767 -22.155 1.00 61.03 O ATOM 1649 CB THR A 108 4.348 18.485 -24.857 1.00 65.11 C ATOM 1650 OG1 THR A 108 4.722 19.673 -24.152 1.00 51.24 O ATOM 1651 CG2 THR A 108 2.868 18.207 -24.643 1.00 15.15 C ATOM 0 H THR A 108 3.665 15.908 -24.693 1.00 22.32 H new ATOM 0 HA THR A 108 6.208 17.389 -24.792 1.00 21.43 H new ATOM 0 HB THR A 108 4.525 18.625 -25.923 1.00 65.11 H new ATOM 0 HG1 THR A 108 4.175 20.424 -24.464 1.00 51.24 H new ATOM 0 HG21 THR A 108 2.284 19.060 -24.989 1.00 15.15 H new ATOM 0 HG22 THR A 108 2.580 17.318 -25.204 1.00 15.15 H new ATOM 0 HG23 THR A 108 2.678 18.044 -23.582 1.00 15.15 H new