USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=23 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 67 TYR OH : rot 123:sc= 1.33 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.0367 X(o=1.3,f=1.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.996 K(o=-1,f=-1.7) USER MOD Single : A 23 TYR OH : rot 180:sc=-0.000489 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.461 K(o=-0.46,f=-2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.4!) USER MOD Single : A 45 GLN : amide:sc= -1.03 X(o=-1,f=-0.86) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= 1.09 (180deg=-0.027) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= -0.409 (180deg=-0.564) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 0.00399 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.18) 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 USER MOD Single : A 78 THR OG1 : rot 116:sc= 0.114 USER MOD Single : A 79 THR OG1 : rot -3:sc= 1.02 USER MOD Single : A 81 THR OG1 : rot -150:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.144 (180deg=-0.736) USER MOD Single : A 94 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.9!) USER MOD Single : A 99 THR OG1 : rot -35:sc= 0.429 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0139) USER MOD Single : A 104 SER OG : rot 180:sc= 0 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 -35.045 -45.627 -42.746 1.00 75.20 N ATOM 269 CA CYS A 18 -35.050 -44.170 -42.750 1.00 3.42 C ATOM 270 C CYS A 18 -33.669 -43.620 -43.093 1.00 63.42 C ATOM 271 O CYS A 18 -33.439 -43.137 -44.202 1.00 5.32 O ATOM 272 CB CYS A 18 -35.499 -43.638 -41.387 1.00 62.15 C ATOM 273 SG CYS A 18 -37.089 -42.750 -41.422 1.00 43.14 S ATOM 0 HA CYS A 18 -35.753 -43.837 -43.514 1.00 3.42 H new ATOM 0 HB2 CYS A 18 -35.577 -44.473 -40.691 1.00 62.15 H new ATOM 0 HB3 CYS A 18 -34.730 -42.970 -40.999 1.00 62.15 H new ATOM 279 N SER A 19 -32.753 -43.698 -42.133 1.00 75.53 N ATOM 280 CA SER A 19 -31.395 -43.206 -42.332 1.00 71.15 C ATOM 281 C SER A 19 -31.367 -41.681 -42.357 1.00 21.41 C ATOM 282 O SER A 19 -30.863 -41.045 -41.432 1.00 53.35 O ATOM 283 CB SER A 19 -30.814 -43.759 -43.636 1.00 44.20 C ATOM 284 OG SER A 19 -29.622 -44.486 -43.396 1.00 31.55 O ATOM 0 H SER A 19 -32.926 -44.097 -41.210 1.00 75.53 H new ATOM 0 HA SER A 19 -30.786 -43.550 -41.496 1.00 71.15 H new ATOM 0 HB2 SER A 19 -31.547 -44.406 -44.119 1.00 44.20 H new ATOM 0 HB3 SER A 19 -30.611 -42.938 -44.324 1.00 44.20 H new ATOM 0 HG SER A 19 -29.272 -44.830 -44.244 1.00 31.55 H new ATOM 290 N GLU A 20 -31.914 -41.103 -43.422 1.00 72.21 N ATOM 291 CA GLU A 20 -31.951 -39.653 -43.567 1.00 11.44 C ATOM 292 C GLU A 20 -33.026 -39.043 -42.671 1.00 12.15 C ATOM 293 O GLU A 20 -34.038 -38.535 -43.155 1.00 41.33 O ATOM 294 CB GLU A 20 -32.212 -39.270 -45.026 1.00 61.41 C ATOM 295 CG GLU A 20 -32.063 -37.784 -45.302 1.00 13.02 C ATOM 296 CD GLU A 20 -30.887 -37.474 -46.208 1.00 50.22 C ATOM 297 OE1 GLU A 20 -29.784 -38.001 -45.948 1.00 15.44 O ATOM 298 OE2 GLU A 20 -31.068 -36.706 -47.175 1.00 72.03 O ATOM 0 H GLU A 20 -32.337 -41.616 -44.196 1.00 72.21 H new ATOM 0 HA GLU A 20 -30.981 -39.259 -43.263 1.00 11.44 H new ATOM 0 HB2 GLU A 20 -31.523 -39.821 -45.666 1.00 61.41 H new ATOM 0 HB3 GLU A 20 -33.220 -39.582 -45.300 1.00 61.41 H new ATOM 0 HG2 GLU A 20 -32.978 -37.410 -45.760 1.00 13.02 H new ATOM 0 HG3 GLU A 20 -31.939 -37.254 -44.358 1.00 13.02 H new ATOM 305 N TRP A 21 -32.800 -39.100 -41.364 1.00 61.24 N ATOM 306 CA TRP A 21 -33.748 -38.555 -40.399 1.00 14.32 C ATOM 307 C TRP A 21 -33.962 -37.063 -40.631 1.00 4.44 C ATOM 308 O TRP A 21 -33.022 -36.273 -40.555 1.00 24.44 O ATOM 309 CB TRP A 21 -33.252 -38.797 -38.973 1.00 51.34 C ATOM 310 CG TRP A 21 -33.813 -40.039 -38.352 1.00 20.14 C ATOM 311 CD1 TRP A 21 -33.762 -41.305 -38.861 1.00 22.34 C ATOM 312 CD2 TRP A 21 -34.513 -40.133 -37.106 1.00 24.42 C ATOM 313 NE1 TRP A 21 -34.387 -42.182 -38.006 1.00 12.10 N ATOM 314 CE2 TRP A 21 -34.856 -41.488 -36.922 1.00 60.10 C ATOM 315 CE3 TRP A 21 -34.881 -39.207 -36.127 1.00 23.04 C ATOM 316 CZ2 TRP A 21 -35.549 -41.934 -35.801 1.00 21.33 C ATOM 317 CZ3 TRP A 21 -35.570 -39.652 -35.015 1.00 62.23 C ATOM 318 CH2 TRP A 21 -35.898 -41.005 -34.858 1.00 73.34 C ATOM 0 H TRP A 21 -31.968 -39.518 -40.948 1.00 61.24 H new ATOM 0 HA TRP A 21 -34.702 -39.065 -40.535 1.00 14.32 H new ATOM 0 HB2 TRP A 21 -32.164 -38.863 -38.981 1.00 51.34 H new ATOM 0 HB3 TRP A 21 -33.515 -37.939 -38.354 1.00 51.34 H new ATOM 0 HD1 TRP A 21 -33.299 -41.578 -39.798 1.00 22.34 H new ATOM 0 HE1 TRP A 21 -34.485 -43.186 -38.155 1.00 12.10 H new ATOM 0 HE3 TRP A 21 -34.631 -38.162 -36.237 1.00 23.04 H new ATOM 0 HZ2 TRP A 21 -35.803 -42.977 -35.679 1.00 21.33 H new ATOM 0 HZ3 TRP A 21 -35.861 -38.944 -34.253 1.00 62.23 H new ATOM 0 HH2 TRP A 21 -36.436 -41.321 -33.977 1.00 73.34 H new ATOM 329 N GLN A 22 -35.205 -36.685 -40.913 1.00 0.22 N ATOM 330 CA GLN A 22 -35.541 -35.286 -41.156 1.00 65.51 C ATOM 331 C GLN A 22 -35.397 -34.463 -39.880 1.00 15.54 C ATOM 332 O GLN A 22 -36.319 -34.393 -39.068 1.00 64.41 O ATOM 333 CB GLN A 22 -36.968 -35.170 -41.694 1.00 51.30 C ATOM 334 CG GLN A 22 -37.995 -35.926 -40.867 1.00 52.23 C ATOM 335 CD GLN A 22 -38.732 -36.977 -41.672 1.00 23.42 C ATOM 336 OE1 GLN A 22 -38.152 -37.985 -42.078 1.00 21.23 O ATOM 337 NE2 GLN A 22 -40.020 -36.749 -41.907 1.00 63.44 N ATOM 0 H GLN A 22 -35.995 -37.327 -40.979 1.00 0.22 H new ATOM 0 HA GLN A 22 -34.847 -34.894 -41.899 1.00 65.51 H new ATOM 0 HB2 GLN A 22 -37.248 -34.117 -41.732 1.00 51.30 H new ATOM 0 HB3 GLN A 22 -36.993 -35.543 -42.718 1.00 51.30 H new ATOM 0 HG2 GLN A 22 -37.496 -36.403 -40.023 1.00 52.23 H new ATOM 0 HG3 GLN A 22 -38.715 -35.219 -40.454 1.00 52.23 H new ATOM 0 HE21 GLN A 22 -40.461 -35.901 -41.552 1.00 63.44 H new ATOM 0 HE22 GLN A 22 -40.568 -37.423 -42.442 1.00 63.44 H new ATOM 346 N TYR A 23 -34.235 -33.842 -39.712 1.00 44.43 N ATOM 347 CA TYR A 23 -33.969 -33.025 -38.533 1.00 30.22 C ATOM 348 C TYR A 23 -34.551 -31.624 -38.699 1.00 22.24 C ATOM 349 O TYR A 23 -34.329 -30.963 -39.712 1.00 1.41 O ATOM 350 CB TYR A 23 -32.464 -32.937 -38.277 1.00 2.22 C ATOM 351 CG TYR A 23 -31.761 -34.275 -38.331 1.00 42.44 C ATOM 352 CD1 TYR A 23 -32.147 -35.318 -37.499 1.00 24.41 C ATOM 353 CD2 TYR A 23 -30.711 -34.494 -39.214 1.00 22.35 C ATOM 354 CE1 TYR A 23 -31.507 -36.542 -37.544 1.00 1.43 C ATOM 355 CE2 TYR A 23 -30.067 -35.716 -39.267 1.00 0.50 C ATOM 356 CZ TYR A 23 -30.469 -36.736 -38.430 1.00 53.24 C ATOM 357 OH TYR A 23 -29.829 -37.953 -38.478 1.00 75.23 O ATOM 0 H TYR A 23 -33.462 -33.888 -40.376 1.00 44.43 H new ATOM 0 HA TYR A 23 -34.449 -33.499 -37.677 1.00 30.22 H new ATOM 0 HB2 TYR A 23 -32.017 -32.271 -39.015 1.00 2.22 H new ATOM 0 HB3 TYR A 23 -32.296 -32.487 -37.298 1.00 2.22 H new ATOM 0 HD1 TYR A 23 -32.961 -35.170 -36.805 1.00 24.41 H new ATOM 0 HD2 TYR A 23 -30.393 -33.697 -39.869 1.00 22.35 H new ATOM 0 HE1 TYR A 23 -31.818 -37.342 -36.889 1.00 1.43 H new ATOM 0 HE2 TYR A 23 -29.253 -35.871 -39.960 1.00 0.50 H new ATOM 0 HH TYR A 23 -29.122 -37.924 -39.156 1.00 75.23 H new ATOM 367 N GLY A 24 -35.298 -31.179 -37.693 1.00 13.30 N ATOM 368 CA GLY A 24 -35.901 -29.859 -37.745 1.00 2.44 C ATOM 369 C GLY A 24 -34.895 -28.753 -37.501 1.00 51.41 C ATOM 370 O GLY A 24 -33.713 -29.015 -37.277 1.00 44.03 O ATOM 0 H GLY A 24 -35.496 -31.708 -36.844 1.00 13.30 H new ATOM 0 HA2 GLY A 24 -36.367 -29.714 -38.720 1.00 2.44 H new ATOM 0 HA3 GLY A 24 -36.694 -29.796 -37.000 1.00 2.44 H new ATOM 374 N LYS A 25 -35.362 -27.509 -37.548 1.00 11.33 N ATOM 375 CA LYS A 25 -34.496 -26.356 -37.332 1.00 21.52 C ATOM 376 C LYS A 25 -33.859 -26.408 -35.946 1.00 54.41 C ATOM 377 O LYS A 25 -34.384 -27.047 -35.034 1.00 42.45 O ATOM 378 CB LYS A 25 -35.290 -25.058 -37.493 1.00 62.34 C ATOM 379 CG LYS A 25 -36.146 -24.715 -36.286 1.00 72.43 C ATOM 380 CD LYS A 25 -37.390 -25.585 -36.220 1.00 23.31 C ATOM 381 CE LYS A 25 -37.246 -26.686 -35.180 1.00 1.24 C ATOM 382 NZ LYS A 25 -38.532 -26.958 -34.479 1.00 55.42 N ATOM 0 H LYS A 25 -36.337 -27.274 -37.734 1.00 11.33 H new ATOM 0 HA LYS A 25 -33.703 -26.383 -38.079 1.00 21.52 H new ATOM 0 HB2 LYS A 25 -34.596 -24.238 -37.681 1.00 62.34 H new ATOM 0 HB3 LYS A 25 -35.931 -25.140 -38.371 1.00 62.34 H new ATOM 0 HG2 LYS A 25 -35.561 -24.845 -35.375 1.00 72.43 H new ATOM 0 HG3 LYS A 25 -36.437 -23.665 -36.331 1.00 72.43 H new ATOM 0 HD2 LYS A 25 -38.255 -24.967 -35.980 1.00 23.31 H new ATOM 0 HD3 LYS A 25 -37.577 -26.029 -37.198 1.00 23.31 H new ATOM 0 HE2 LYS A 25 -36.895 -27.598 -35.663 1.00 1.24 H new ATOM 0 HE3 LYS A 25 -36.488 -26.400 -34.451 1.00 1.24 H new ATOM 0 HZ1 LYS A 25 -38.392 -27.714 -33.779 1.00 55.42 H new ATOM 0 HZ2 LYS A 25 -38.854 -26.095 -33.997 1.00 55.42 H new ATOM 0 HZ3 LYS A 25 -39.249 -27.256 -35.171 1.00 55.42 H new ATOM 396 N CYS A 26 -32.727 -25.729 -35.795 1.00 74.51 N ATOM 397 CA CYS A 26 -32.019 -25.696 -34.521 1.00 73.35 C ATOM 398 C CYS A 26 -32.226 -24.357 -33.819 1.00 3.15 C ATOM 399 O CYS A 26 -31.713 -23.327 -34.259 1.00 5.12 O ATOM 400 CB CYS A 26 -30.525 -25.945 -34.737 1.00 35.24 C ATOM 401 SG CYS A 26 -30.132 -27.609 -35.367 1.00 63.00 S ATOM 0 H CYS A 26 -32.280 -25.194 -36.540 1.00 74.51 H new ATOM 0 HA CYS A 26 -32.424 -26.485 -33.888 1.00 73.35 H new ATOM 0 HB2 CYS A 26 -30.141 -25.203 -35.437 1.00 35.24 H new ATOM 0 HB3 CYS A 26 -30.002 -25.793 -33.793 1.00 35.24 H new ATOM 407 N VAL A 27 -32.981 -24.379 -32.725 1.00 20.10 N ATOM 408 CA VAL A 27 -33.255 -23.168 -31.960 1.00 55.11 C ATOM 409 C VAL A 27 -32.600 -23.226 -30.585 1.00 73.04 C ATOM 410 O VAL A 27 -32.744 -24.196 -29.842 1.00 24.43 O ATOM 411 CB VAL A 27 -34.769 -22.945 -31.786 1.00 32.23 C ATOM 412 CG1 VAL A 27 -35.455 -24.238 -31.371 1.00 32.24 C ATOM 413 CG2 VAL A 27 -35.031 -21.843 -30.771 1.00 15.44 C ATOM 0 H VAL A 27 -33.414 -25.222 -32.349 1.00 20.10 H new ATOM 0 HA VAL A 27 -32.835 -22.336 -32.524 1.00 55.11 H new ATOM 0 HB VAL A 27 -35.186 -22.632 -32.744 1.00 32.23 H new ATOM 0 HG11 VAL A 27 -36.524 -24.061 -31.253 1.00 32.24 H new ATOM 0 HG12 VAL A 27 -35.295 -24.997 -32.137 1.00 32.24 H new ATOM 0 HG13 VAL A 27 -35.038 -24.584 -30.425 1.00 32.24 H new ATOM 0 HG21 VAL A 27 -36.106 -21.698 -30.660 1.00 15.44 H new ATOM 0 HG22 VAL A 27 -34.602 -22.124 -29.809 1.00 15.44 H new ATOM 0 HG23 VAL A 27 -34.574 -20.915 -31.115 1.00 15.44 H new ATOM 423 N PRO A 28 -31.860 -22.163 -30.238 1.00 62.44 N ATOM 424 CA PRO A 28 -31.167 -22.068 -28.949 1.00 24.21 C ATOM 425 C PRO A 28 -32.135 -21.900 -27.782 1.00 73.40 C ATOM 426 O PRO A 28 -32.865 -20.913 -27.706 1.00 33.22 O ATOM 427 CB PRO A 28 -30.297 -20.819 -29.105 1.00 72.34 C ATOM 428 CG PRO A 28 -30.995 -19.995 -30.131 1.00 0.33 C ATOM 429 CD PRO A 28 -31.642 -20.971 -31.074 1.00 51.30 C ATOM 0 HA PRO A 28 -30.602 -22.972 -28.722 1.00 24.21 H new ATOM 0 HB2 PRO A 28 -30.204 -20.281 -28.162 1.00 72.34 H new ATOM 0 HB3 PRO A 28 -29.288 -21.077 -29.425 1.00 72.34 H new ATOM 0 HG2 PRO A 28 -31.739 -19.346 -29.670 1.00 0.33 H new ATOM 0 HG3 PRO A 28 -30.292 -19.350 -30.658 1.00 0.33 H new ATOM 0 HD2 PRO A 28 -32.580 -20.583 -31.472 1.00 51.30 H new ATOM 0 HD3 PRO A 28 -31.000 -21.191 -31.927 1.00 51.30 H new ATOM 437 N ASN A 29 -32.133 -22.871 -26.874 1.00 62.13 N ATOM 438 CA ASN A 29 -33.011 -22.830 -25.711 1.00 44.32 C ATOM 439 C ASN A 29 -32.227 -22.481 -24.449 1.00 64.24 C ATOM 440 O ASN A 29 -32.599 -22.879 -23.344 1.00 73.10 O ATOM 441 CB ASN A 29 -33.717 -24.175 -25.531 1.00 65.21 C ATOM 442 CG ASN A 29 -34.835 -24.110 -24.508 1.00 71.10 C ATOM 443 OD1 ASN A 29 -35.238 -23.028 -24.081 1.00 45.22 O ATOM 444 ND2 ASN A 29 -35.341 -25.271 -24.109 1.00 14.44 N ATOM 0 H ASN A 29 -31.534 -23.695 -26.922 1.00 62.13 H new ATOM 0 HA ASN A 29 -33.759 -22.055 -25.879 1.00 44.32 H new ATOM 0 HB2 ASN A 29 -34.123 -24.500 -26.489 1.00 65.21 H new ATOM 0 HB3 ASN A 29 -32.989 -24.926 -25.222 1.00 65.21 H new ATOM 0 HD21 ASN A 29 -36.095 -25.290 -23.422 1.00 14.44 H new ATOM 0 HD22 ASN A 29 -34.976 -26.144 -24.490 1.00 14.44 H new ATOM 451 N SER A 30 -31.140 -21.737 -24.621 1.00 52.50 N ATOM 452 CA SER A 30 -30.301 -21.337 -23.497 1.00 14.32 C ATOM 453 C SER A 30 -29.665 -19.973 -23.753 1.00 24.22 C ATOM 454 O SER A 30 -28.647 -19.868 -24.435 1.00 23.34 O ATOM 455 CB SER A 30 -29.211 -22.381 -23.250 1.00 23.25 C ATOM 456 OG SER A 30 -28.880 -22.456 -21.875 1.00 61.24 O ATOM 0 H SER A 30 -30.819 -21.399 -25.528 1.00 52.50 H new ATOM 0 HA SER A 30 -30.933 -21.265 -22.612 1.00 14.32 H new ATOM 0 HB2 SER A 30 -29.551 -23.356 -23.599 1.00 23.25 H new ATOM 0 HB3 SER A 30 -28.322 -22.127 -23.828 1.00 23.25 H new ATOM 0 HG SER A 30 -28.182 -23.131 -21.743 1.00 61.24 H new ATOM 462 N GLY A 31 -30.275 -18.930 -23.197 1.00 13.41 N ATOM 463 CA GLY A 31 -29.756 -17.586 -23.375 1.00 75.10 C ATOM 464 C GLY A 31 -30.230 -16.947 -24.665 1.00 31.43 C ATOM 465 O GLY A 31 -31.432 -16.811 -24.893 1.00 41.14 O ATOM 0 H GLY A 31 -31.119 -18.992 -22.627 1.00 13.41 H new ATOM 0 HA2 GLY A 31 -30.063 -16.967 -22.532 1.00 75.10 H new ATOM 0 HA3 GLY A 31 -28.666 -17.617 -23.367 1.00 75.10 H new ATOM 469 N ASP A 32 -29.284 -16.554 -25.511 1.00 20.31 N ATOM 470 CA ASP A 32 -29.612 -15.925 -26.785 1.00 33.14 C ATOM 471 C ASP A 32 -29.124 -16.778 -27.953 1.00 51.44 C ATOM 472 O ASP A 32 -29.800 -16.896 -28.976 1.00 43.33 O ATOM 473 CB ASP A 32 -28.994 -14.529 -26.863 1.00 53.11 C ATOM 474 CG ASP A 32 -30.034 -13.429 -26.770 1.00 41.11 C ATOM 475 OD1 ASP A 32 -30.681 -13.136 -27.797 1.00 12.32 O ATOM 476 OD2 ASP A 32 -30.201 -12.863 -25.671 1.00 64.24 O ATOM 0 H ASP A 32 -28.284 -16.660 -25.338 1.00 20.31 H new ATOM 0 HA ASP A 32 -30.696 -15.837 -26.851 1.00 33.14 H new ATOM 0 HB2 ASP A 32 -28.270 -14.410 -26.057 1.00 53.11 H new ATOM 0 HB3 ASP A 32 -28.447 -14.429 -27.800 1.00 53.11 H new ATOM 481 N CYS A 33 -27.943 -17.367 -27.795 1.00 30.15 N ATOM 482 CA CYS A 33 -27.363 -18.207 -28.836 1.00 53.01 C ATOM 483 C CYS A 33 -26.391 -19.220 -28.238 1.00 32.30 C ATOM 484 O CYS A 33 -25.770 -18.967 -27.208 1.00 65.23 O ATOM 485 CB CYS A 33 -26.642 -17.344 -29.874 1.00 14.34 C ATOM 486 SG CYS A 33 -25.099 -16.588 -29.270 1.00 72.34 S ATOM 0 H CYS A 33 -27.369 -17.278 -26.956 1.00 30.15 H new ATOM 0 HA CYS A 33 -28.173 -18.750 -29.324 1.00 53.01 H new ATOM 0 HB2 CYS A 33 -26.416 -17.957 -30.747 1.00 14.34 H new ATOM 0 HB3 CYS A 33 -27.316 -16.554 -30.205 1.00 14.34 H new ATOM 492 N GLY A 34 -26.264 -20.369 -28.895 1.00 33.12 N ATOM 493 CA GLY A 34 -25.366 -21.403 -28.414 1.00 14.35 C ATOM 494 C GLY A 34 -25.908 -22.799 -28.656 1.00 24.13 C ATOM 495 O GLY A 34 -26.150 -23.189 -29.796 1.00 0.40 O ATOM 0 H GLY A 34 -26.767 -20.602 -29.751 1.00 33.12 H new ATOM 0 HA2 GLY A 34 -24.400 -21.300 -28.909 1.00 14.35 H new ATOM 0 HA3 GLY A 34 -25.194 -21.263 -27.347 1.00 14.35 H new ATOM 499 N ASN A 35 -26.096 -23.553 -27.577 1.00 73.22 N ATOM 500 CA ASN A 35 -26.609 -24.914 -27.676 1.00 13.45 C ATOM 501 C ASN A 35 -28.123 -24.912 -27.869 1.00 54.35 C ATOM 502 O ASN A 35 -28.872 -24.511 -26.979 1.00 35.34 O ATOM 503 CB ASN A 35 -26.245 -25.712 -26.423 1.00 34.13 C ATOM 504 CG ASN A 35 -24.807 -26.193 -26.441 1.00 32.11 C ATOM 505 OD1 ASN A 35 -24.355 -26.796 -27.415 1.00 72.53 O ATOM 506 ND2 ASN A 35 -24.080 -25.926 -25.362 1.00 24.34 N ATOM 0 H ASN A 35 -25.901 -23.244 -26.625 1.00 73.22 H new ATOM 0 HA ASN A 35 -26.150 -25.386 -28.545 1.00 13.45 H new ATOM 0 HB2 ASN A 35 -26.407 -25.092 -25.541 1.00 34.13 H new ATOM 0 HB3 ASN A 35 -26.911 -26.570 -26.336 1.00 34.13 H new ATOM 0 HD21 ASN A 35 -23.105 -26.223 -25.317 1.00 24.34 H new ATOM 0 HD22 ASN A 35 -24.496 -25.423 -24.578 1.00 24.34 H new ATOM 513 N GLY A 36 -28.566 -25.363 -29.040 1.00 63.31 N ATOM 514 CA GLY A 36 -29.988 -25.405 -29.328 1.00 63.23 C ATOM 515 C GLY A 36 -30.519 -26.822 -29.421 1.00 55.10 C ATOM 516 O GLY A 36 -29.813 -27.779 -29.102 1.00 61.14 O ATOM 0 H GLY A 36 -27.966 -25.699 -29.793 1.00 63.31 H new ATOM 0 HA2 GLY A 36 -30.529 -24.868 -28.549 1.00 63.23 H new ATOM 0 HA3 GLY A 36 -30.181 -24.886 -30.267 1.00 63.23 H new ATOM 520 N ILE A 37 -31.766 -26.956 -29.861 1.00 64.31 N ATOM 521 CA ILE A 37 -32.391 -28.266 -29.995 1.00 62.44 C ATOM 522 C ILE A 37 -33.191 -28.364 -31.289 1.00 31.13 C ATOM 523 O ILE A 37 -33.777 -27.382 -31.743 1.00 54.44 O ATOM 524 CB ILE A 37 -33.320 -28.572 -28.805 1.00 62.34 C ATOM 525 CG1 ILE A 37 -32.554 -28.445 -27.487 1.00 62.25 C ATOM 526 CG2 ILE A 37 -33.919 -29.963 -28.945 1.00 21.33 C ATOM 527 CD1 ILE A 37 -31.437 -29.455 -27.337 1.00 44.42 C ATOM 0 H ILE A 37 -32.363 -26.174 -30.130 1.00 64.31 H new ATOM 0 HA ILE A 37 -31.585 -28.999 -30.013 1.00 62.44 H new ATOM 0 HB ILE A 37 -34.134 -27.847 -28.802 1.00 62.34 H new ATOM 0 HG12 ILE A 37 -32.137 -27.441 -27.414 1.00 62.25 H new ATOM 0 HG13 ILE A 37 -33.252 -28.561 -26.658 1.00 62.25 H new ATOM 0 HG21 ILE A 37 -34.573 -30.165 -28.097 1.00 21.33 H new ATOM 0 HG22 ILE A 37 -34.495 -30.020 -29.869 1.00 21.33 H new ATOM 0 HG23 ILE A 37 -33.119 -30.703 -28.970 1.00 21.33 H new ATOM 0 HD11 ILE A 37 -30.938 -29.306 -26.380 1.00 44.42 H new ATOM 0 HD12 ILE A 37 -31.850 -30.463 -27.378 1.00 44.42 H new ATOM 0 HD13 ILE A 37 -30.718 -29.325 -28.145 1.00 44.42 H new ATOM 539 N ARG A 38 -33.213 -29.555 -31.876 1.00 33.24 N ATOM 540 CA ARG A 38 -33.942 -29.782 -33.119 1.00 4.31 C ATOM 541 C ARG A 38 -34.815 -31.030 -33.017 1.00 30.22 C ATOM 542 O ARG A 38 -34.386 -32.056 -32.491 1.00 5.05 O ATOM 543 CB ARG A 38 -32.969 -29.922 -34.289 1.00 54.13 C ATOM 544 CG ARG A 38 -32.078 -31.150 -34.196 1.00 14.20 C ATOM 545 CD ARG A 38 -30.954 -31.102 -35.220 1.00 33.00 C ATOM 546 NE ARG A 38 -29.643 -30.969 -34.590 1.00 3.13 N ATOM 547 CZ ARG A 38 -28.502 -31.267 -35.198 1.00 52.33 C ATOM 548 NH1 ARG A 38 -28.509 -31.712 -36.448 1.00 63.14 N ATOM 549 NH2 ARG A 38 -27.349 -31.119 -34.558 1.00 22.31 N ATOM 0 H ARG A 38 -32.734 -30.379 -31.511 1.00 33.24 H new ATOM 0 HA ARG A 38 -34.587 -28.921 -33.294 1.00 4.31 H new ATOM 0 HB2 ARG A 38 -33.536 -29.964 -35.219 1.00 54.13 H new ATOM 0 HB3 ARG A 38 -32.342 -29.032 -34.338 1.00 54.13 H new ATOM 0 HG2 ARG A 38 -31.656 -31.219 -33.194 1.00 14.20 H new ATOM 0 HG3 ARG A 38 -32.676 -32.048 -34.353 1.00 14.20 H new ATOM 0 HD2 ARG A 38 -30.975 -32.009 -35.824 1.00 33.00 H new ATOM 0 HD3 ARG A 38 -31.117 -30.264 -35.898 1.00 33.00 H new ATOM 0 HE ARG A 38 -29.602 -30.628 -33.629 1.00 3.13 H new ATOM 0 HH11 ARG A 38 -29.393 -31.826 -36.944 1.00 63.14 H new ATOM 0 HH12 ARG A 38 -27.630 -31.940 -36.913 1.00 63.14 H new ATOM 0 HH21 ARG A 38 -27.339 -30.776 -33.598 1.00 22.31 H new ATOM 0 HH22 ARG A 38 -26.473 -31.348 -35.027 1.00 22.31 H new ATOM 563 N GLU A 39 -36.040 -30.932 -33.523 1.00 14.43 N ATOM 564 CA GLU A 39 -36.972 -32.053 -33.488 1.00 21.21 C ATOM 565 C GLU A 39 -36.980 -32.796 -34.820 1.00 14.14 C ATOM 566 O GLU A 39 -37.061 -32.183 -35.885 1.00 4.50 O ATOM 567 CB GLU A 39 -38.383 -31.562 -33.156 1.00 12.22 C ATOM 568 CG GLU A 39 -38.657 -31.459 -31.665 1.00 54.21 C ATOM 569 CD GLU A 39 -39.193 -30.098 -31.264 1.00 24.31 C ATOM 570 OE1 GLU A 39 -40.071 -29.572 -31.978 1.00 14.21 O ATOM 571 OE2 GLU A 39 -38.735 -29.559 -30.235 1.00 61.51 O ATOM 0 H GLU A 39 -36.410 -30.089 -33.962 1.00 14.43 H new ATOM 0 HA GLU A 39 -36.643 -32.742 -32.710 1.00 21.21 H new ATOM 0 HB2 GLU A 39 -38.535 -30.584 -33.613 1.00 12.22 H new ATOM 0 HB3 GLU A 39 -39.109 -32.240 -33.604 1.00 12.22 H new ATOM 0 HG2 GLU A 39 -39.375 -32.227 -31.377 1.00 54.21 H new ATOM 0 HG3 GLU A 39 -37.737 -31.660 -31.115 1.00 54.21 H new ATOM 578 N ALA A 40 -36.897 -34.120 -34.753 1.00 72.33 N ATOM 579 CA ALA A 40 -36.896 -34.948 -35.953 1.00 62.34 C ATOM 580 C ALA A 40 -37.825 -36.147 -35.794 1.00 51.21 C ATOM 581 O ALA A 40 -37.924 -36.730 -34.714 1.00 64.02 O ATOM 582 CB ALA A 40 -35.482 -35.412 -36.273 1.00 51.30 C ATOM 0 H ALA A 40 -36.830 -34.643 -33.880 1.00 72.33 H new ATOM 0 HA ALA A 40 -37.265 -34.344 -36.782 1.00 62.34 H new ATOM 0 HB1 ALA A 40 -35.496 -36.029 -37.171 1.00 51.30 H new ATOM 0 HB2 ALA A 40 -34.843 -34.545 -36.439 1.00 51.30 H new ATOM 0 HB3 ALA A 40 -35.093 -35.995 -35.438 1.00 51.30 H new ATOM 588 N THR A 41 -38.505 -36.510 -36.878 1.00 64.15 N ATOM 589 CA THR A 41 -39.428 -37.638 -36.857 1.00 73.14 C ATOM 590 C THR A 41 -39.178 -38.574 -38.035 1.00 40.11 C ATOM 591 O THR A 41 -39.251 -38.163 -39.194 1.00 25.25 O ATOM 592 CB THR A 41 -40.893 -37.166 -36.893 1.00 55.33 C ATOM 593 OG1 THR A 41 -40.945 -35.738 -36.991 1.00 30.13 O ATOM 594 CG2 THR A 41 -41.639 -37.621 -35.648 1.00 0.54 C ATOM 0 H THR A 41 -38.434 -36.039 -37.780 1.00 64.15 H new ATOM 0 HA THR A 41 -39.250 -38.175 -35.925 1.00 73.14 H new ATOM 0 HB THR A 41 -41.373 -37.608 -37.766 1.00 55.33 H new ATOM 0 HG1 THR A 41 -41.880 -35.446 -37.015 1.00 30.13 H new ATOM 0 HG21 THR A 41 -42.672 -37.276 -35.696 1.00 0.54 H new ATOM 0 HG22 THR A 41 -41.623 -38.709 -35.591 1.00 0.54 H new ATOM 0 HG23 THR A 41 -41.158 -37.204 -34.763 1.00 0.54 H new ATOM 602 N CYS A 42 -38.883 -39.833 -37.731 1.00 10.00 N ATOM 603 CA CYS A 42 -38.622 -40.828 -38.765 1.00 3.15 C ATOM 604 C CYS A 42 -39.056 -42.218 -38.304 1.00 44.44 C ATOM 605 O CYS A 42 -38.986 -42.539 -37.119 1.00 72.24 O ATOM 606 CB CYS A 42 -37.137 -40.840 -39.127 1.00 71.43 C ATOM 607 SG CYS A 42 -36.809 -40.836 -40.920 1.00 62.43 S ATOM 0 H CYS A 42 -38.819 -40.189 -36.777 1.00 10.00 H new ATOM 0 HA CYS A 42 -39.202 -40.559 -39.648 1.00 3.15 H new ATOM 0 HB2 CYS A 42 -36.658 -39.970 -38.679 1.00 71.43 H new ATOM 0 HB3 CYS A 42 -36.673 -41.722 -38.685 1.00 71.43 H new ATOM 613 N ASN A 43 -39.505 -43.035 -39.250 1.00 33.45 N ATOM 614 CA ASN A 43 -39.950 -44.389 -38.942 1.00 12.11 C ATOM 615 C ASN A 43 -41.272 -44.367 -38.181 1.00 32.21 C ATOM 616 O ASN A 43 -42.316 -44.734 -38.719 1.00 35.31 O ATOM 617 CB ASN A 43 -38.888 -45.123 -38.121 1.00 73.23 C ATOM 618 CG ASN A 43 -38.350 -46.348 -38.835 1.00 61.11 C ATOM 619 OD1 ASN A 43 -39.031 -46.943 -39.670 1.00 61.51 O ATOM 620 ND2 ASN A 43 -37.120 -46.731 -38.507 1.00 43.51 N ATOM 0 H ASN A 43 -39.571 -42.783 -40.236 1.00 33.45 H new ATOM 0 HA ASN A 43 -40.102 -44.918 -39.883 1.00 12.11 H new ATOM 0 HB2 ASN A 43 -38.065 -44.442 -37.904 1.00 73.23 H new ATOM 0 HB3 ASN A 43 -39.315 -45.422 -37.164 1.00 73.23 H new ATOM 0 HD21 ASN A 43 -36.704 -47.549 -38.953 1.00 43.51 H new ATOM 0 HD22 ASN A 43 -36.592 -46.207 -37.809 1.00 43.51 H new ATOM 627 N GLU A 44 -41.219 -43.934 -36.925 1.00 54.51 N ATOM 628 CA GLU A 44 -42.412 -43.865 -36.090 1.00 51.42 C ATOM 629 C GLU A 44 -42.061 -43.412 -34.676 1.00 50.14 C ATOM 630 O GLU A 44 -42.669 -43.858 -33.703 1.00 40.30 O ATOM 631 CB GLU A 44 -43.110 -45.226 -36.045 1.00 64.05 C ATOM 632 CG GLU A 44 -44.597 -45.157 -36.344 1.00 32.13 C ATOM 633 CD GLU A 44 -45.447 -45.184 -35.089 1.00 2.51 C ATOM 634 OE1 GLU A 44 -45.547 -46.258 -34.462 1.00 4.33 O ATOM 635 OE2 GLU A 44 -46.012 -44.128 -34.733 1.00 53.31 O ATOM 0 H GLU A 44 -40.363 -43.626 -36.464 1.00 54.51 H new ATOM 0 HA GLU A 44 -43.090 -43.133 -36.529 1.00 51.42 H new ATOM 0 HB2 GLU A 44 -42.634 -45.893 -36.764 1.00 64.05 H new ATOM 0 HB3 GLU A 44 -42.966 -45.666 -35.058 1.00 64.05 H new ATOM 0 HG2 GLU A 44 -44.809 -44.245 -36.902 1.00 32.13 H new ATOM 0 HG3 GLU A 44 -44.874 -45.995 -36.984 1.00 32.13 H new ATOM 642 N GLN A 45 -41.076 -42.526 -34.571 1.00 12.53 N ATOM 643 CA GLN A 45 -40.644 -42.014 -33.276 1.00 73.30 C ATOM 644 C GLN A 45 -40.144 -40.578 -33.397 1.00 22.12 C ATOM 645 O GLN A 45 -39.798 -40.119 -34.486 1.00 41.40 O ATOM 646 CB GLN A 45 -39.542 -42.903 -32.696 1.00 5.44 C ATOM 647 CG GLN A 45 -38.349 -43.075 -33.622 1.00 32.23 C ATOM 648 CD GLN A 45 -38.185 -44.503 -34.104 1.00 33.11 C ATOM 649 OE1 GLN A 45 -38.463 -45.453 -33.372 1.00 22.32 O ATOM 650 NE2 GLN A 45 -37.732 -44.661 -35.342 1.00 33.23 N ATOM 0 H GLN A 45 -40.562 -42.148 -35.367 1.00 12.53 H new ATOM 0 HA GLN A 45 -41.502 -42.025 -32.604 1.00 73.30 H new ATOM 0 HB2 GLN A 45 -39.201 -42.476 -31.753 1.00 5.44 H new ATOM 0 HB3 GLN A 45 -39.960 -43.884 -32.469 1.00 5.44 H new ATOM 0 HG2 GLN A 45 -38.464 -42.416 -34.483 1.00 32.23 H new ATOM 0 HG3 GLN A 45 -37.443 -42.765 -33.102 1.00 32.23 H new ATOM 0 HE21 GLN A 45 -37.514 -43.845 -35.913 1.00 33.23 H new ATOM 0 HE22 GLN A 45 -37.602 -45.599 -35.722 1.00 33.23 H new ATOM 659 N THR A 46 -40.109 -39.871 -32.271 1.00 35.55 N ATOM 660 CA THR A 46 -39.654 -38.488 -32.251 1.00 51.22 C ATOM 661 C THR A 46 -38.659 -38.253 -31.121 1.00 73.12 C ATOM 662 O THR A 46 -38.884 -38.669 -29.984 1.00 30.13 O ATOM 663 CB THR A 46 -40.834 -37.510 -32.092 1.00 23.22 C ATOM 664 OG1 THR A 46 -41.977 -38.003 -32.800 1.00 24.24 O ATOM 665 CG2 THR A 46 -40.467 -36.129 -32.611 1.00 62.52 C ATOM 0 H THR A 46 -40.391 -40.235 -31.361 1.00 35.55 H new ATOM 0 HA THR A 46 -39.165 -38.303 -33.207 1.00 51.22 H new ATOM 0 HB THR A 46 -41.070 -37.430 -31.031 1.00 23.22 H new ATOM 0 HG1 THR A 46 -42.723 -37.377 -32.693 1.00 24.24 H new ATOM 0 HG21 THR A 46 -41.316 -35.457 -32.488 1.00 62.52 H new ATOM 0 HG22 THR A 46 -39.615 -35.744 -32.050 1.00 62.52 H new ATOM 0 HG23 THR A 46 -40.206 -36.195 -33.667 1.00 62.52 H new ATOM 673 N LYS A 47 -37.556 -37.583 -31.439 1.00 35.43 N ATOM 674 CA LYS A 47 -36.525 -37.290 -30.451 1.00 23.45 C ATOM 675 C LYS A 47 -35.911 -35.916 -30.695 1.00 33.24 C ATOM 676 O LYS A 47 -36.068 -35.336 -31.770 1.00 23.54 O ATOM 677 CB LYS A 47 -35.434 -38.363 -30.489 1.00 42.25 C ATOM 678 CG LYS A 47 -35.974 -39.776 -30.622 1.00 34.13 C ATOM 679 CD LYS A 47 -34.851 -40.795 -30.725 1.00 73.12 C ATOM 680 CE LYS A 47 -33.984 -40.548 -31.950 1.00 74.12 C ATOM 681 NZ LYS A 47 -33.722 -41.804 -32.706 1.00 12.03 N ATOM 0 H LYS A 47 -37.353 -37.232 -32.375 1.00 35.43 H new ATOM 0 HA LYS A 47 -36.991 -37.289 -29.466 1.00 23.45 H new ATOM 0 HB2 LYS A 47 -34.765 -38.159 -31.325 1.00 42.25 H new ATOM 0 HB3 LYS A 47 -34.838 -38.295 -29.579 1.00 42.25 H new ATOM 0 HG2 LYS A 47 -36.601 -40.010 -29.761 1.00 34.13 H new ATOM 0 HG3 LYS A 47 -36.609 -39.842 -31.506 1.00 34.13 H new ATOM 0 HD2 LYS A 47 -34.235 -40.751 -29.827 1.00 73.12 H new ATOM 0 HD3 LYS A 47 -35.273 -41.799 -30.773 1.00 73.12 H new ATOM 0 HE2 LYS A 47 -34.475 -39.827 -32.603 1.00 74.12 H new ATOM 0 HE3 LYS A 47 -33.037 -40.105 -31.641 1.00 74.12 H new ATOM 0 HZ1 LYS A 47 -32.740 -41.804 -33.050 1.00 12.03 H new ATOM 0 HZ2 LYS A 47 -33.870 -42.622 -32.082 1.00 12.03 H new ATOM 0 HZ3 LYS A 47 -34.372 -41.864 -33.516 1.00 12.03 H new ATOM 695 N LYS A 48 -35.209 -35.400 -29.693 1.00 44.43 N ATOM 696 CA LYS A 48 -34.569 -34.094 -29.799 1.00 64.32 C ATOM 697 C LYS A 48 -33.051 -34.225 -29.713 1.00 52.42 C ATOM 698 O LYS A 48 -32.521 -34.841 -28.787 1.00 54.43 O ATOM 699 CB LYS A 48 -35.074 -33.164 -28.694 1.00 40.30 C ATOM 700 CG LYS A 48 -36.296 -32.354 -29.093 1.00 44.22 C ATOM 701 CD LYS A 48 -37.163 -32.022 -27.889 1.00 34.41 C ATOM 702 CE LYS A 48 -36.927 -30.599 -27.407 1.00 74.42 C ATOM 703 NZ LYS A 48 -36.087 -30.562 -26.179 1.00 71.34 N ATOM 0 H LYS A 48 -35.068 -35.867 -28.797 1.00 44.43 H new ATOM 0 HA LYS A 48 -34.826 -33.668 -30.769 1.00 64.32 H new ATOM 0 HB2 LYS A 48 -35.314 -33.758 -27.812 1.00 40.30 H new ATOM 0 HB3 LYS A 48 -34.273 -32.482 -28.410 1.00 40.30 H new ATOM 0 HG2 LYS A 48 -35.979 -31.432 -29.580 1.00 44.22 H new ATOM 0 HG3 LYS A 48 -36.883 -32.914 -29.822 1.00 44.22 H new ATOM 0 HD2 LYS A 48 -38.214 -32.149 -28.150 1.00 34.41 H new ATOM 0 HD3 LYS A 48 -36.948 -32.721 -27.081 1.00 34.41 H new ATOM 0 HE2 LYS A 48 -36.442 -30.024 -28.196 1.00 74.42 H new ATOM 0 HE3 LYS A 48 -37.885 -30.120 -27.206 1.00 74.42 H new ATOM 0 HZ1 LYS A 48 -35.440 -29.749 -26.225 1.00 71.34 H new ATOM 0 HZ2 LYS A 48 -36.698 -30.470 -25.343 1.00 71.34 H new ATOM 0 HZ3 LYS A 48 -35.535 -31.441 -26.110 1.00 71.34 H new ATOM 717 N THR A 49 -32.355 -33.639 -30.684 1.00 5.12 N ATOM 718 CA THR A 49 -30.899 -33.690 -30.717 1.00 15.31 C ATOM 719 C THR A 49 -30.296 -32.315 -30.453 1.00 72.32 C ATOM 720 O THR A 49 -30.860 -31.292 -30.842 1.00 4.22 O ATOM 721 CB THR A 49 -30.387 -34.212 -32.073 1.00 52.23 C ATOM 722 OG1 THR A 49 -30.355 -33.145 -33.028 1.00 1.32 O ATOM 723 CG2 THR A 49 -31.272 -35.336 -32.590 1.00 22.24 C ATOM 0 H THR A 49 -32.777 -33.124 -31.457 1.00 5.12 H new ATOM 0 HA THR A 49 -30.587 -34.377 -29.931 1.00 15.31 H new ATOM 0 HB THR A 49 -29.379 -34.602 -31.930 1.00 52.23 H new ATOM 0 HG1 THR A 49 -30.027 -33.484 -33.887 1.00 1.32 H new ATOM 0 HG21 THR A 49 -30.890 -35.688 -33.548 1.00 22.24 H new ATOM 0 HG22 THR A 49 -31.271 -36.158 -31.875 1.00 22.24 H new ATOM 0 HG23 THR A 49 -32.290 -34.968 -32.718 1.00 22.24 H new ATOM 731 N LYS A 50 -29.144 -32.298 -29.792 1.00 72.12 N ATOM 732 CA LYS A 50 -28.460 -31.048 -29.477 1.00 35.23 C ATOM 733 C LYS A 50 -27.899 -30.403 -30.741 1.00 43.52 C ATOM 734 O LYS A 50 -27.452 -31.092 -31.657 1.00 35.21 O ATOM 735 CB LYS A 50 -27.331 -31.299 -28.476 1.00 41.21 C ATOM 736 CG LYS A 50 -27.591 -30.700 -27.104 1.00 43.23 C ATOM 737 CD LYS A 50 -28.659 -31.475 -26.350 1.00 62.42 C ATOM 738 CE LYS A 50 -28.053 -32.607 -25.534 1.00 72.13 C ATOM 739 NZ LYS A 50 -27.990 -32.272 -24.084 1.00 25.31 N ATOM 0 H LYS A 50 -28.664 -33.136 -29.464 1.00 72.12 H new ATOM 0 HA LYS A 50 -29.186 -30.367 -29.033 1.00 35.23 H new ATOM 0 HB2 LYS A 50 -27.181 -32.374 -28.372 1.00 41.21 H new ATOM 0 HB3 LYS A 50 -26.405 -30.885 -28.874 1.00 41.21 H new ATOM 0 HG2 LYS A 50 -26.667 -30.697 -26.526 1.00 43.23 H new ATOM 0 HG3 LYS A 50 -27.903 -29.661 -27.213 1.00 43.23 H new ATOM 0 HD2 LYS A 50 -29.203 -30.799 -25.690 1.00 62.42 H new ATOM 0 HD3 LYS A 50 -29.383 -31.881 -27.057 1.00 62.42 H new ATOM 0 HE2 LYS A 50 -28.645 -33.512 -25.673 1.00 72.13 H new ATOM 0 HE3 LYS A 50 -27.050 -32.823 -25.901 1.00 72.13 H new ATOM 0 HZ1 LYS A 50 -27.571 -33.068 -23.562 1.00 25.31 H new ATOM 0 HZ2 LYS A 50 -27.405 -31.423 -23.949 1.00 25.31 H new ATOM 0 HZ3 LYS A 50 -28.950 -32.091 -23.728 1.00 25.31 H new ATOM 753 N CYS A 51 -27.925 -29.075 -30.781 1.00 55.04 N ATOM 754 CA CYS A 51 -27.418 -28.334 -31.930 1.00 72.12 C ATOM 755 C CYS A 51 -26.604 -27.124 -31.482 1.00 71.14 C ATOM 756 O CYS A 51 -26.576 -26.783 -30.299 1.00 10.12 O ATOM 757 CB CYS A 51 -28.575 -27.882 -32.823 1.00 40.21 C ATOM 758 SG CYS A 51 -28.194 -27.910 -34.604 1.00 71.02 S ATOM 0 H CYS A 51 -28.292 -28.490 -30.031 1.00 55.04 H new ATOM 0 HA CYS A 51 -26.766 -28.997 -32.499 1.00 72.12 H new ATOM 0 HB2 CYS A 51 -29.436 -28.524 -32.636 1.00 40.21 H new ATOM 0 HB3 CYS A 51 -28.864 -26.870 -32.540 1.00 40.21 H new ATOM 764 N LYS A 52 -25.941 -26.477 -32.436 1.00 64.51 N ATOM 765 CA LYS A 52 -25.127 -25.304 -32.141 1.00 71.44 C ATOM 766 C LYS A 52 -25.233 -24.274 -33.260 1.00 53.12 C ATOM 767 O LYS A 52 -25.015 -24.589 -34.431 1.00 4.24 O ATOM 768 CB LYS A 52 -23.664 -25.709 -31.943 1.00 51.32 C ATOM 769 CG LYS A 52 -23.172 -25.534 -30.517 1.00 51.41 C ATOM 770 CD LYS A 52 -23.026 -24.066 -30.154 1.00 51.42 C ATOM 771 CE LYS A 52 -21.576 -23.614 -30.232 1.00 43.04 C ATOM 772 NZ LYS A 52 -21.459 -22.201 -30.688 1.00 61.40 N ATOM 0 H LYS A 52 -25.952 -26.746 -33.420 1.00 64.51 H new ATOM 0 HA LYS A 52 -25.501 -24.855 -31.221 1.00 71.44 H new ATOM 0 HB2 LYS A 52 -23.542 -26.752 -32.235 1.00 51.32 H new ATOM 0 HB3 LYS A 52 -23.038 -25.116 -32.610 1.00 51.32 H new ATOM 0 HG2 LYS A 52 -23.869 -26.012 -29.829 1.00 51.41 H new ATOM 0 HG3 LYS A 52 -22.212 -26.036 -30.398 1.00 51.41 H new ATOM 0 HD2 LYS A 52 -23.633 -23.461 -30.828 1.00 51.42 H new ATOM 0 HD3 LYS A 52 -23.406 -23.900 -29.146 1.00 51.42 H new ATOM 0 HE2 LYS A 52 -21.110 -23.719 -29.252 1.00 43.04 H new ATOM 0 HE3 LYS A 52 -21.030 -24.263 -30.917 1.00 43.04 H new ATOM 0 HZ1 LYS A 52 -20.489 -22.022 -31.019 1.00 61.40 H new ATOM 0 HZ2 LYS A 52 -22.127 -22.031 -31.466 1.00 61.40 H new ATOM 0 HZ3 LYS A 52 -21.678 -21.562 -29.897 1.00 61.40 H new ATOM 786 N VAL A 53 -25.568 -23.040 -32.894 1.00 70.43 N ATOM 787 CA VAL A 53 -25.700 -21.963 -33.867 1.00 33.21 C ATOM 788 C VAL A 53 -24.378 -21.227 -34.056 1.00 22.13 C ATOM 789 O VAL A 53 -23.540 -21.165 -33.156 1.00 33.22 O ATOM 790 CB VAL A 53 -26.781 -20.952 -33.442 1.00 13.30 C ATOM 791 CG1 VAL A 53 -28.107 -21.658 -33.200 1.00 41.03 C ATOM 792 CG2 VAL A 53 -26.339 -20.190 -32.202 1.00 15.31 C ATOM 0 H VAL A 53 -25.753 -22.762 -31.930 1.00 70.43 H new ATOM 0 HA VAL A 53 -25.994 -22.424 -34.810 1.00 33.21 H new ATOM 0 HB VAL A 53 -26.921 -20.235 -34.251 1.00 13.30 H new ATOM 0 HG11 VAL A 53 -28.859 -20.928 -32.901 1.00 41.03 H new ATOM 0 HG12 VAL A 53 -28.428 -22.154 -34.116 1.00 41.03 H new ATOM 0 HG13 VAL A 53 -27.986 -22.399 -32.410 1.00 41.03 H new ATOM 0 HG21 VAL A 53 -27.115 -19.480 -31.916 1.00 15.31 H new ATOM 0 HG22 VAL A 53 -26.170 -20.891 -31.385 1.00 15.31 H new ATOM 0 HG23 VAL A 53 -25.415 -19.652 -32.416 1.00 15.31 H new ATOM 802 N PRO A 54 -24.186 -20.655 -35.255 1.00 64.54 N ATOM 803 CA PRO A 54 -22.967 -19.912 -35.589 1.00 75.40 C ATOM 804 C PRO A 54 -22.867 -18.592 -34.833 1.00 1.31 C ATOM 805 O PRO A 54 -23.128 -17.525 -35.389 1.00 11.31 O ATOM 806 CB PRO A 54 -23.108 -19.658 -37.092 1.00 34.34 C ATOM 807 CG PRO A 54 -24.576 -19.691 -37.345 1.00 12.12 C ATOM 808 CD PRO A 54 -25.141 -20.689 -36.373 1.00 35.24 C ATOM 0 HA PRO A 54 -22.066 -20.463 -35.318 1.00 75.40 H new ATOM 0 HB2 PRO A 54 -22.679 -18.696 -37.373 1.00 34.34 H new ATOM 0 HB3 PRO A 54 -22.589 -20.420 -37.673 1.00 34.34 H new ATOM 0 HG2 PRO A 54 -25.020 -18.707 -37.196 1.00 12.12 H new ATOM 0 HG3 PRO A 54 -24.788 -19.984 -38.373 1.00 12.12 H new ATOM 0 HD2 PRO A 54 -26.145 -20.413 -36.052 1.00 35.24 H new ATOM 0 HD3 PRO A 54 -25.209 -21.684 -36.813 1.00 35.24 H new ATOM 816 N CYS A 55 -22.487 -18.671 -33.562 1.00 52.43 N ATOM 817 CA CYS A 55 -22.352 -17.482 -32.729 1.00 63.30 C ATOM 818 C CYS A 55 -20.885 -17.193 -32.427 1.00 73.42 C ATOM 819 O CYS A 55 -20.028 -18.065 -32.568 1.00 40.10 O ATOM 820 CB CYS A 55 -23.128 -17.659 -31.422 1.00 15.11 C ATOM 821 SG CYS A 55 -23.950 -16.144 -30.835 1.00 3.50 S ATOM 0 H CYS A 55 -22.267 -19.546 -33.086 1.00 52.43 H new ATOM 0 HA CYS A 55 -22.765 -16.636 -33.278 1.00 63.30 H new ATOM 0 HB2 CYS A 55 -23.879 -18.437 -31.560 1.00 15.11 H new ATOM 0 HB3 CYS A 55 -22.443 -18.011 -30.650 1.00 15.11 H new ATOM 827 N ASN A 56 -20.603 -15.962 -32.010 1.00 35.14 N ATOM 828 CA ASN A 56 -19.239 -15.558 -31.688 1.00 2.44 C ATOM 829 C ASN A 56 -18.746 -16.260 -30.427 1.00 22.34 C ATOM 830 O ASN A 56 -18.890 -15.743 -29.320 1.00 5.23 O ATOM 831 CB ASN A 56 -19.165 -14.041 -31.502 1.00 32.24 C ATOM 832 CG ASN A 56 -18.699 -13.326 -32.756 1.00 1.15 C ATOM 833 OD1 ASN A 56 -19.035 -13.725 -33.871 1.00 11.44 O ATOM 834 ND2 ASN A 56 -17.922 -12.265 -32.577 1.00 30.21 N ATOM 0 H ASN A 56 -21.301 -15.228 -31.887 1.00 35.14 H new ATOM 0 HA ASN A 56 -18.596 -15.848 -32.519 1.00 2.44 H new ATOM 0 HB2 ASN A 56 -20.147 -13.665 -31.216 1.00 32.24 H new ATOM 0 HB3 ASN A 56 -18.485 -13.811 -30.682 1.00 32.24 H new ATOM 0 HD21 ASN A 56 -17.577 -11.743 -33.383 1.00 30.21 H new ATOM 0 HD22 ASN A 56 -17.669 -11.971 -31.633 1.00 30.21 H new ATOM 941 N GLY A 62 -3.953 -13.884 -33.206 1.00 13.41 N ATOM 942 CA GLY A 62 -2.774 -13.295 -33.813 1.00 54.43 C ATOM 943 C GLY A 62 -1.487 -13.897 -33.284 1.00 52.11 C ATOM 944 O GLY A 62 -1.326 -15.116 -33.270 1.00 61.44 O ATOM 0 HA2 GLY A 62 -2.818 -13.432 -34.893 1.00 54.43 H new ATOM 0 HA3 GLY A 62 -2.772 -12.221 -33.628 1.00 54.43 H new ATOM 948 N ALA A 63 -0.569 -13.040 -32.849 1.00 1.24 N ATOM 949 CA ALA A 63 0.709 -13.494 -32.316 1.00 14.15 C ATOM 950 C ALA A 63 0.527 -14.193 -30.973 1.00 3.13 C ATOM 951 O ALA A 63 1.256 -15.129 -30.645 1.00 72.01 O ATOM 952 CB ALA A 63 1.670 -12.323 -32.179 1.00 63.04 C ATOM 0 H ALA A 63 -0.687 -12.027 -32.855 1.00 1.24 H new ATOM 0 HA ALA A 63 1.131 -14.215 -33.016 1.00 14.15 H new ATOM 0 HB1 ALA A 63 2.620 -12.677 -31.780 1.00 63.04 H new ATOM 0 HB2 ALA A 63 1.833 -11.870 -33.157 1.00 63.04 H new ATOM 0 HB3 ALA A 63 1.246 -11.581 -31.502 1.00 63.04 H new ATOM 958 N ASP A 64 -0.450 -13.732 -30.200 1.00 4.12 N ATOM 959 CA ASP A 64 -0.728 -14.312 -28.892 1.00 62.33 C ATOM 960 C ASP A 64 0.546 -14.409 -28.058 1.00 62.10 C ATOM 961 O ASP A 64 0.880 -15.475 -27.537 1.00 53.44 O ATOM 962 CB ASP A 64 -1.356 -15.698 -29.048 1.00 1.13 C ATOM 963 CG ASP A 64 -2.361 -16.006 -27.954 1.00 55.21 C ATOM 964 OD1 ASP A 64 -2.149 -15.552 -26.810 1.00 24.33 O ATOM 965 OD2 ASP A 64 -3.359 -16.698 -28.244 1.00 62.22 O ATOM 0 H ASP A 64 -1.063 -12.958 -30.457 1.00 4.12 H new ATOM 0 HA ASP A 64 -1.431 -13.659 -28.375 1.00 62.33 H new ATOM 0 HB2 ASP A 64 -1.848 -15.763 -30.018 1.00 1.13 H new ATOM 0 HB3 ASP A 64 -0.570 -16.453 -29.038 1.00 1.13 H new ATOM 970 N CYS A 65 1.253 -13.291 -27.935 1.00 31.11 N ATOM 971 CA CYS A 65 2.491 -13.249 -27.167 1.00 73.21 C ATOM 972 C CYS A 65 2.347 -12.334 -25.954 1.00 70.54 C ATOM 973 O CYS A 65 1.686 -11.299 -26.018 1.00 43.44 O ATOM 974 CB CYS A 65 3.647 -12.768 -28.047 1.00 33.25 C ATOM 975 SG CYS A 65 4.064 -13.904 -29.410 1.00 44.12 S ATOM 0 H CYS A 65 0.989 -12.401 -28.358 1.00 31.11 H new ATOM 0 HA CYS A 65 2.706 -14.259 -26.817 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.391 -11.794 -28.465 1.00 33.25 H new ATOM 0 HB3 CYS A 65 4.530 -12.626 -27.424 1.00 33.25 H new ATOM 981 N LYS A 66 2.973 -12.725 -24.848 1.00 12.41 N ATOM 982 CA LYS A 66 2.917 -11.941 -23.620 1.00 61.11 C ATOM 983 C LYS A 66 4.106 -10.990 -23.527 1.00 50.05 C ATOM 984 O LYS A 66 5.259 -11.423 -23.493 1.00 2.24 O ATOM 985 CB LYS A 66 2.894 -12.866 -22.401 1.00 10.00 C ATOM 986 CG LYS A 66 1.692 -13.794 -22.365 1.00 42.02 C ATOM 987 CD LYS A 66 0.388 -13.015 -22.288 1.00 71.40 C ATOM 988 CE LYS A 66 -0.636 -13.728 -21.419 1.00 61.41 C ATOM 989 NZ LYS A 66 -0.543 -13.306 -19.994 1.00 43.41 N ATOM 0 H LYS A 66 3.525 -13.580 -24.778 1.00 12.41 H new ATOM 0 HA LYS A 66 2.002 -11.350 -23.637 1.00 61.11 H new ATOM 0 HB2 LYS A 66 3.805 -13.464 -22.392 1.00 10.00 H new ATOM 0 HB3 LYS A 66 2.902 -12.260 -21.495 1.00 10.00 H new ATOM 0 HG2 LYS A 66 1.689 -14.422 -23.256 1.00 42.02 H new ATOM 0 HG3 LYS A 66 1.771 -14.460 -21.505 1.00 42.02 H new ATOM 0 HD2 LYS A 66 0.580 -12.021 -21.885 1.00 71.40 H new ATOM 0 HD3 LYS A 66 -0.016 -12.879 -23.291 1.00 71.40 H new ATOM 0 HE2 LYS A 66 -1.638 -13.521 -21.794 1.00 61.41 H new ATOM 0 HE3 LYS A 66 -0.485 -14.805 -21.489 1.00 61.41 H new ATOM 0 HZ1 LYS A 66 -1.257 -13.814 -19.434 1.00 43.41 H new ATOM 0 HZ2 LYS A 66 0.405 -13.526 -19.628 1.00 43.41 H new ATOM 0 HZ3 LYS A 66 -0.712 -12.282 -19.923 1.00 43.41 H new ATOM 1003 N TYR A 67 3.820 -9.694 -23.484 1.00 14.45 N ATOM 1004 CA TYR A 67 4.865 -8.682 -23.396 1.00 32.42 C ATOM 1005 C TYR A 67 4.823 -7.971 -22.047 1.00 62.51 C ATOM 1006 O TYR A 67 3.756 -7.593 -21.565 1.00 4.50 O ATOM 1007 CB TYR A 67 4.715 -7.663 -24.527 1.00 33.22 C ATOM 1008 CG TYR A 67 5.046 -8.221 -25.893 1.00 33.33 C ATOM 1009 CD1 TYR A 67 6.358 -8.272 -26.345 1.00 61.13 C ATOM 1010 CD2 TYR A 67 4.045 -8.696 -26.732 1.00 75.02 C ATOM 1011 CE1 TYR A 67 6.666 -8.781 -27.592 1.00 44.32 C ATOM 1012 CE2 TYR A 67 4.344 -9.207 -27.981 1.00 3.52 C ATOM 1013 CZ TYR A 67 5.654 -9.247 -28.406 1.00 62.55 C ATOM 1014 OH TYR A 67 5.956 -9.754 -29.649 1.00 30.45 O ATOM 0 H TYR A 67 2.872 -9.319 -23.509 1.00 14.45 H new ATOM 0 HA TYR A 67 5.828 -9.183 -23.493 1.00 32.42 H new ATOM 0 HB2 TYR A 67 3.691 -7.290 -24.535 1.00 33.22 H new ATOM 0 HB3 TYR A 67 5.364 -6.811 -24.325 1.00 33.22 H new ATOM 0 HD1 TYR A 67 7.152 -7.907 -25.710 1.00 61.13 H new ATOM 0 HD2 TYR A 67 3.017 -8.665 -26.403 1.00 75.02 H new ATOM 0 HE1 TYR A 67 7.692 -8.814 -27.927 1.00 44.32 H new ATOM 0 HE2 TYR A 67 3.555 -9.573 -28.621 1.00 3.52 H new ATOM 0 HH TYR A 67 5.625 -10.674 -29.716 1.00 30.45 H new ATOM 1024 N LYS A 68 5.993 -7.793 -21.443 1.00 41.40 N ATOM 1025 CA LYS A 68 6.093 -7.126 -20.150 1.00 54.34 C ATOM 1026 C LYS A 68 6.623 -5.705 -20.311 1.00 45.24 C ATOM 1027 O LYS A 68 7.796 -5.501 -20.626 1.00 1.12 O ATOM 1028 CB LYS A 68 7.007 -7.920 -19.213 1.00 50.01 C ATOM 1029 CG LYS A 68 6.535 -7.931 -17.769 1.00 34.11 C ATOM 1030 CD LYS A 68 6.104 -9.320 -17.334 1.00 34.52 C ATOM 1031 CE LYS A 68 7.292 -10.158 -16.884 1.00 2.33 C ATOM 1032 NZ LYS A 68 6.994 -11.616 -16.935 1.00 34.32 N ATOM 0 H LYS A 68 6.886 -8.101 -21.828 1.00 41.40 H new ATOM 0 HA LYS A 68 5.094 -7.075 -19.717 1.00 54.34 H new ATOM 0 HB2 LYS A 68 7.077 -8.947 -19.571 1.00 50.01 H new ATOM 0 HB3 LYS A 68 8.011 -7.498 -19.255 1.00 50.01 H new ATOM 0 HG2 LYS A 68 7.337 -7.578 -17.121 1.00 34.11 H new ATOM 0 HG3 LYS A 68 5.702 -7.237 -17.652 1.00 34.11 H new ATOM 0 HD2 LYS A 68 5.384 -9.240 -16.519 1.00 34.52 H new ATOM 0 HD3 LYS A 68 5.597 -9.820 -18.159 1.00 34.52 H new ATOM 0 HE2 LYS A 68 8.151 -9.941 -17.519 1.00 2.33 H new ATOM 0 HE3 LYS A 68 7.569 -9.879 -15.867 1.00 2.33 H new ATOM 0 HZ1 LYS A 68 7.828 -12.152 -16.621 1.00 34.32 H new ATOM 0 HZ2 LYS A 68 6.191 -11.828 -16.310 1.00 34.32 H new ATOM 0 HZ3 LYS A 68 6.755 -11.888 -17.910 1.00 34.32 H new ATOM 1046 N PHE A 69 5.753 -4.725 -20.091 1.00 44.23 N ATOM 1047 CA PHE A 69 6.135 -3.323 -20.211 1.00 41.21 C ATOM 1048 C PHE A 69 6.548 -2.753 -18.856 1.00 35.31 C ATOM 1049 O PHE A 69 6.157 -3.268 -17.809 1.00 61.12 O ATOM 1050 CB PHE A 69 4.977 -2.505 -20.789 1.00 65.55 C ATOM 1051 CG PHE A 69 4.689 -2.810 -22.230 1.00 32.24 C ATOM 1052 CD1 PHE A 69 5.518 -2.335 -23.232 1.00 42.24 C ATOM 1053 CD2 PHE A 69 3.588 -3.573 -22.584 1.00 2.45 C ATOM 1054 CE1 PHE A 69 5.256 -2.613 -24.560 1.00 22.24 C ATOM 1055 CE2 PHE A 69 3.320 -3.856 -23.910 1.00 42.23 C ATOM 1056 CZ PHE A 69 4.155 -3.374 -24.900 1.00 4.35 C ATOM 0 H PHE A 69 4.779 -4.876 -19.829 1.00 44.23 H new ATOM 0 HA PHE A 69 6.988 -3.261 -20.887 1.00 41.21 H new ATOM 0 HB2 PHE A 69 4.080 -2.694 -20.200 1.00 65.55 H new ATOM 0 HB3 PHE A 69 5.207 -1.444 -20.689 1.00 65.55 H new ATOM 0 HD1 PHE A 69 6.381 -1.739 -22.972 1.00 42.24 H new ATOM 0 HD2 PHE A 69 2.931 -3.951 -21.815 1.00 2.45 H new ATOM 0 HE1 PHE A 69 5.911 -2.236 -25.331 1.00 22.24 H new ATOM 0 HE2 PHE A 69 2.459 -4.453 -24.172 1.00 42.23 H new ATOM 0 HZ PHE A 69 3.947 -3.592 -25.937 1.00 4.35 H new ATOM 1066 N GLY A 70 7.343 -1.688 -18.886 1.00 1.35 N ATOM 1067 CA GLY A 70 7.796 -1.066 -17.656 1.00 71.41 C ATOM 1068 C GLY A 70 7.311 0.362 -17.515 1.00 64.05 C ATOM 1069 O GLY A 70 6.301 0.620 -16.857 1.00 75.41 O ATOM 0 H GLY A 70 7.681 -1.245 -19.740 1.00 1.35 H new ATOM 0 HA2 GLY A 70 7.445 -1.651 -16.806 1.00 71.41 H new ATOM 0 HA3 GLY A 70 8.885 -1.081 -17.625 1.00 71.41 H new ATOM 1073 N ARG A 71 8.031 1.294 -18.130 1.00 10.21 N ATOM 1074 CA ARG A 71 7.668 2.705 -18.067 1.00 71.44 C ATOM 1075 C ARG A 71 7.977 3.405 -19.387 1.00 40.13 C ATOM 1076 O ARG A 71 8.811 2.943 -20.166 1.00 1.14 O ATOM 1077 CB ARG A 71 8.418 3.395 -16.924 1.00 35.14 C ATOM 1078 CG ARG A 71 8.317 2.659 -15.599 1.00 31.14 C ATOM 1079 CD ARG A 71 6.920 2.763 -15.008 1.00 3.30 C ATOM 1080 NE ARG A 71 6.753 3.973 -14.207 1.00 2.04 N ATOM 1081 CZ ARG A 71 5.636 4.272 -13.553 1.00 65.25 C ATOM 1082 NH1 ARG A 71 4.594 3.455 -13.604 1.00 75.12 N ATOM 1083 NH2 ARG A 71 5.561 5.392 -12.844 1.00 63.44 N ATOM 0 H ARG A 71 8.869 1.098 -18.678 1.00 10.21 H new ATOM 0 HA ARG A 71 6.596 2.771 -17.882 1.00 71.44 H new ATOM 0 HB2 ARG A 71 9.469 3.493 -17.197 1.00 35.14 H new ATOM 0 HB3 ARG A 71 8.026 4.404 -16.800 1.00 35.14 H new ATOM 0 HG2 ARG A 71 8.574 1.610 -15.744 1.00 31.14 H new ATOM 0 HG3 ARG A 71 9.042 3.071 -14.897 1.00 31.14 H new ATOM 0 HD2 ARG A 71 6.185 2.757 -15.813 1.00 3.30 H new ATOM 0 HD3 ARG A 71 6.722 1.888 -14.389 1.00 3.30 H new ATOM 0 HE ARG A 71 7.536 4.624 -14.147 1.00 2.04 H new ATOM 0 HH11 ARG A 71 4.648 2.593 -14.147 1.00 75.12 H new ATOM 0 HH12 ARG A 71 3.738 3.688 -13.100 1.00 75.12 H new ATOM 0 HH21 ARG A 71 6.361 6.023 -12.801 1.00 63.44 H new ATOM 0 HH22 ARG A 71 4.703 5.621 -12.342 1.00 63.44 H new ATOM 1097 N TRP A 72 7.298 4.520 -19.632 1.00 44.44 N ATOM 1098 CA TRP A 72 7.499 5.284 -20.858 1.00 33.23 C ATOM 1099 C TRP A 72 8.642 6.279 -20.699 1.00 4.40 C ATOM 1100 O TRP A 72 8.887 7.104 -21.579 1.00 3.41 O ATOM 1101 CB TRP A 72 6.214 6.019 -21.242 1.00 45.00 C ATOM 1102 CG TRP A 72 5.223 5.151 -21.957 1.00 53.41 C ATOM 1103 CD1 TRP A 72 4.019 4.720 -21.481 1.00 31.33 C ATOM 1104 CD2 TRP A 72 5.354 4.610 -23.276 1.00 2.43 C ATOM 1105 NE1 TRP A 72 3.392 3.942 -22.424 1.00 32.32 N ATOM 1106 CE2 TRP A 72 4.190 3.859 -23.534 1.00 53.21 C ATOM 1107 CE3 TRP A 72 6.339 4.687 -24.263 1.00 14.11 C ATOM 1108 CZ2 TRP A 72 3.988 3.191 -24.739 1.00 40.54 C ATOM 1109 CZ3 TRP A 72 6.138 4.023 -25.459 1.00 22.13 C ATOM 1110 CH2 TRP A 72 4.970 3.284 -25.689 1.00 4.53 C ATOM 0 H TRP A 72 6.604 4.915 -18.998 1.00 44.44 H new ATOM 0 HA TRP A 72 7.760 4.585 -21.653 1.00 33.23 H new ATOM 0 HB2 TRP A 72 5.751 6.420 -20.341 1.00 45.00 H new ATOM 0 HB3 TRP A 72 6.466 6.869 -21.876 1.00 45.00 H new ATOM 0 HD1 TRP A 72 3.618 4.956 -20.506 1.00 31.33 H new ATOM 0 HE1 TRP A 72 2.480 3.498 -22.315 1.00 32.32 H new ATOM 0 HE3 TRP A 72 7.242 5.255 -24.095 1.00 14.11 H new ATOM 0 HZ2 TRP A 72 3.089 2.620 -24.918 1.00 40.54 H new ATOM 0 HZ3 TRP A 72 6.894 4.075 -26.229 1.00 22.13 H new ATOM 0 HH2 TRP A 72 4.842 2.778 -26.634 1.00 4.53 H new ATOM 1121 N ALA A 73 9.339 6.198 -19.570 1.00 42.42 N ATOM 1122 CA ALA A 73 10.457 7.092 -19.296 1.00 75.43 C ATOM 1123 C ALA A 73 10.036 8.552 -19.421 1.00 41.34 C ATOM 1124 O ALA A 73 8.863 8.853 -19.638 1.00 62.13 O ATOM 1125 CB ALA A 73 11.615 6.791 -20.238 1.00 51.51 C ATOM 0 H ALA A 73 9.149 5.522 -18.830 1.00 42.42 H new ATOM 0 HA ALA A 73 10.784 6.923 -18.270 1.00 75.43 H new ATOM 0 HB1 ALA A 73 12.444 7.466 -20.023 1.00 51.51 H new ATOM 0 HB2 ALA A 73 11.940 5.760 -20.097 1.00 51.51 H new ATOM 0 HB3 ALA A 73 11.291 6.931 -21.269 1.00 51.51 H new ATOM 1131 N GLU A 74 11.002 9.456 -19.282 1.00 72.01 N ATOM 1132 CA GLU A 74 10.729 10.885 -19.378 1.00 45.13 C ATOM 1133 C GLU A 74 10.792 11.355 -20.828 1.00 35.23 C ATOM 1134 O GLU A 74 11.589 10.853 -21.622 1.00 24.41 O ATOM 1135 CB GLU A 74 11.729 11.676 -18.530 1.00 31.54 C ATOM 1136 CG GLU A 74 11.731 11.278 -17.064 1.00 41.22 C ATOM 1137 CD GLU A 74 10.584 11.899 -16.290 1.00 63.13 C ATOM 1138 OE1 GLU A 74 10.414 13.134 -16.370 1.00 2.15 O ATOM 1139 OE2 GLU A 74 9.858 11.150 -15.605 1.00 2.03 O ATOM 0 H GLU A 74 11.979 9.224 -19.103 1.00 72.01 H new ATOM 0 HA GLU A 74 9.722 11.063 -19.000 1.00 45.13 H new ATOM 0 HB2 GLU A 74 12.730 11.535 -18.938 1.00 31.54 H new ATOM 0 HB3 GLU A 74 11.499 12.739 -18.609 1.00 31.54 H new ATOM 0 HG2 GLU A 74 11.672 10.192 -16.986 1.00 41.22 H new ATOM 0 HG3 GLU A 74 12.676 11.579 -16.611 1.00 41.22 H new ATOM 1146 N CYS A 75 9.946 12.321 -21.168 1.00 11.34 N ATOM 1147 CA CYS A 75 9.903 12.859 -22.522 1.00 1.34 C ATOM 1148 C CYS A 75 11.296 13.266 -22.991 1.00 63.34 C ATOM 1149 O CYS A 75 12.061 13.875 -22.243 1.00 2.20 O ATOM 1150 CB CYS A 75 8.960 14.063 -22.585 1.00 12.32 C ATOM 1151 SG CYS A 75 7.275 13.720 -21.983 1.00 52.21 S ATOM 0 H CYS A 75 9.280 12.748 -20.524 1.00 11.34 H new ATOM 0 HA CYS A 75 9.530 12.078 -23.184 1.00 1.34 H new ATOM 0 HB2 CYS A 75 9.386 14.876 -21.997 1.00 12.32 H new ATOM 0 HB3 CYS A 75 8.902 14.412 -23.616 1.00 12.32 H new ATOM 1157 N ASP A 76 11.620 12.925 -24.233 1.00 1.33 N ATOM 1158 CA ASP A 76 12.921 13.255 -24.802 1.00 34.41 C ATOM 1159 C ASP A 76 12.822 14.474 -25.714 1.00 0.55 C ATOM 1160 O ASP A 76 12.031 14.495 -26.659 1.00 45.11 O ATOM 1161 CB ASP A 76 13.477 12.063 -25.584 1.00 53.04 C ATOM 1162 CG ASP A 76 14.989 11.981 -25.515 1.00 22.51 C ATOM 1163 OD1 ASP A 76 15.553 12.309 -24.450 1.00 60.52 O ATOM 1164 OD2 ASP A 76 15.608 11.586 -26.525 1.00 44.44 O ATOM 0 H ASP A 76 10.999 12.420 -24.865 1.00 1.33 H new ATOM 0 HA ASP A 76 13.599 13.491 -23.982 1.00 34.41 H new ATOM 0 HB2 ASP A 76 13.048 11.142 -25.190 1.00 53.04 H new ATOM 0 HB3 ASP A 76 13.167 12.139 -26.626 1.00 53.04 H new ATOM 1169 N THR A 77 13.628 15.491 -25.424 1.00 1.01 N ATOM 1170 CA THR A 77 13.629 16.715 -26.215 1.00 33.41 C ATOM 1171 C THR A 77 14.240 16.479 -27.592 1.00 63.03 C ATOM 1172 O THR A 77 14.021 17.256 -28.522 1.00 0.25 O ATOM 1173 CB THR A 77 14.407 17.841 -25.507 1.00 72.21 C ATOM 1174 OG1 THR A 77 15.808 17.544 -25.508 1.00 32.40 O ATOM 1175 CG2 THR A 77 13.922 18.017 -24.076 1.00 23.25 C ATOM 0 H THR A 77 14.289 15.491 -24.647 1.00 1.01 H new ATOM 0 HA THR A 77 12.588 17.019 -26.329 1.00 33.41 H new ATOM 0 HB THR A 77 14.232 18.770 -26.050 1.00 72.21 H new ATOM 0 HG1 THR A 77 16.296 18.265 -25.058 1.00 32.40 H new ATOM 0 HG21 THR A 77 14.486 18.817 -23.597 1.00 23.25 H new ATOM 0 HG22 THR A 77 12.862 18.272 -24.080 1.00 23.25 H new ATOM 0 HG23 THR A 77 14.070 17.088 -23.525 1.00 23.25 H new ATOM 1183 N THR A 78 15.009 15.402 -27.717 1.00 60.11 N ATOM 1184 CA THR A 78 15.653 15.064 -28.980 1.00 25.13 C ATOM 1185 C THR A 78 14.647 15.060 -30.125 1.00 22.32 C ATOM 1186 O THR A 78 14.623 15.975 -30.948 1.00 41.30 O ATOM 1187 CB THR A 78 16.339 13.687 -28.910 1.00 33.22 C ATOM 1188 OG1 THR A 78 17.355 13.697 -27.901 1.00 72.24 O ATOM 1189 CG2 THR A 78 16.954 13.319 -30.253 1.00 42.42 C ATOM 0 H THR A 78 15.201 14.748 -26.958 1.00 60.11 H new ATOM 0 HA THR A 78 16.408 15.828 -29.165 1.00 25.13 H new ATOM 0 HB THR A 78 15.584 12.942 -28.658 1.00 33.22 H new ATOM 0 HG1 THR A 78 17.119 13.062 -27.193 1.00 72.24 H new ATOM 0 HG21 THR A 78 17.433 12.343 -30.179 1.00 42.42 H new ATOM 0 HG22 THR A 78 16.174 13.284 -31.013 1.00 42.42 H new ATOM 0 HG23 THR A 78 17.697 14.067 -30.530 1.00 42.42 H new ATOM 1197 N THR A 79 13.816 14.024 -30.173 1.00 3.04 N ATOM 1198 CA THR A 79 12.806 13.901 -31.218 1.00 61.43 C ATOM 1199 C THR A 79 11.433 14.322 -30.709 1.00 52.04 C ATOM 1200 O THR A 79 10.452 14.302 -31.452 1.00 41.12 O ATOM 1201 CB THR A 79 12.723 12.458 -31.751 1.00 31.11 C ATOM 1202 OG1 THR A 79 11.609 12.328 -32.641 1.00 23.44 O ATOM 1203 CG2 THR A 79 12.582 11.465 -30.606 1.00 71.24 C ATOM 0 H THR A 79 13.822 13.257 -29.500 1.00 3.04 H new ATOM 0 HA THR A 79 13.108 14.564 -32.029 1.00 61.43 H new ATOM 0 HB THR A 79 13.645 12.239 -32.289 1.00 31.11 H new ATOM 0 HG1 THR A 79 11.115 13.174 -32.672 1.00 23.44 H new ATOM 0 HG21 THR A 79 12.525 10.453 -31.007 1.00 71.24 H new ATOM 0 HG22 THR A 79 13.446 11.546 -29.946 1.00 71.24 H new ATOM 0 HG23 THR A 79 11.674 11.684 -30.044 1.00 71.24 H new ATOM 1211 N GLY A 80 11.370 14.706 -29.437 1.00 14.02 N ATOM 1212 CA GLY A 80 10.112 15.129 -28.853 1.00 65.31 C ATOM 1213 C GLY A 80 9.311 13.967 -28.298 1.00 61.55 C ATOM 1214 O GLY A 80 8.310 14.165 -27.609 1.00 45.12 O ATOM 0 H GLY A 80 12.168 14.731 -28.802 1.00 14.02 H new ATOM 0 HA2 GLY A 80 10.308 15.845 -28.055 1.00 65.31 H new ATOM 0 HA3 GLY A 80 9.520 15.647 -29.608 1.00 65.31 H new ATOM 1218 N THR A 81 9.752 12.749 -28.599 1.00 12.52 N ATOM 1219 CA THR A 81 9.068 11.552 -28.128 1.00 34.53 C ATOM 1220 C THR A 81 10.018 10.645 -27.354 1.00 45.32 C ATOM 1221 O THR A 81 11.230 10.674 -27.566 1.00 31.42 O ATOM 1222 CB THR A 81 8.458 10.756 -29.299 1.00 41.54 C ATOM 1223 OG1 THR A 81 8.922 9.401 -29.264 1.00 5.32 O ATOM 1224 CG2 THR A 81 8.826 11.389 -30.632 1.00 32.32 C ATOM 0 H THR A 81 10.580 12.566 -29.167 1.00 12.52 H new ATOM 0 HA THR A 81 8.267 11.885 -27.467 1.00 34.53 H new ATOM 0 HB THR A 81 7.373 10.771 -29.195 1.00 41.54 H new ATOM 0 HG1 THR A 81 8.955 9.043 -30.176 1.00 5.32 H new ATOM 0 HG21 THR A 81 8.385 10.811 -31.444 1.00 32.32 H new ATOM 0 HG22 THR A 81 8.447 12.410 -30.667 1.00 32.32 H new ATOM 0 HG23 THR A 81 9.910 11.400 -30.742 1.00 32.32 H new ATOM 1232 N ARG A 82 9.460 9.841 -26.455 1.00 4.32 N ATOM 1233 CA ARG A 82 10.257 8.927 -25.647 1.00 62.04 C ATOM 1234 C ARG A 82 10.025 7.481 -26.074 1.00 71.55 C ATOM 1235 O ARG A 82 8.924 7.113 -26.483 1.00 32.42 O ATOM 1236 CB ARG A 82 9.918 9.093 -24.164 1.00 32.41 C ATOM 1237 CG ARG A 82 10.868 8.354 -23.236 1.00 10.05 C ATOM 1238 CD ARG A 82 12.311 8.774 -23.466 1.00 71.30 C ATOM 1239 NE ARG A 82 13.114 7.689 -24.025 1.00 41.24 N ATOM 1240 CZ ARG A 82 14.291 7.873 -24.613 1.00 2.31 C ATOM 1241 NH1 ARG A 82 14.799 9.094 -24.720 1.00 24.23 N ATOM 1242 NH2 ARG A 82 14.962 6.836 -25.097 1.00 4.22 N ATOM 0 H ARG A 82 8.458 9.804 -26.268 1.00 4.32 H new ATOM 0 HA ARG A 82 11.309 9.169 -25.801 1.00 62.04 H new ATOM 0 HB2 ARG A 82 9.931 10.154 -23.914 1.00 32.41 H new ATOM 0 HB3 ARG A 82 8.903 8.737 -23.990 1.00 32.41 H new ATOM 0 HG2 ARG A 82 10.592 8.550 -22.200 1.00 10.05 H new ATOM 0 HG3 ARG A 82 10.771 7.280 -23.394 1.00 10.05 H new ATOM 0 HD2 ARG A 82 12.336 9.629 -24.141 1.00 71.30 H new ATOM 0 HD3 ARG A 82 12.749 9.100 -22.522 1.00 71.30 H new ATOM 0 HE ARG A 82 12.751 6.738 -23.960 1.00 41.24 H new ATOM 0 HH11 ARG A 82 14.286 9.894 -24.350 1.00 24.23 H new ATOM 0 HH12 ARG A 82 15.703 9.233 -25.172 1.00 24.23 H new ATOM 0 HH21 ARG A 82 14.574 5.896 -25.018 1.00 4.22 H new ATOM 0 HH22 ARG A 82 15.866 6.979 -25.548 1.00 4.22 H new ATOM 1256 N SER A 83 11.070 6.666 -25.976 1.00 75.31 N ATOM 1257 CA SER A 83 10.983 5.260 -26.357 1.00 10.42 C ATOM 1258 C SER A 83 10.970 4.363 -25.123 1.00 40.34 C ATOM 1259 O SER A 83 11.624 4.656 -24.123 1.00 72.33 O ATOM 1260 CB SER A 83 12.154 4.881 -27.266 1.00 10.22 C ATOM 1261 OG SER A 83 13.393 5.084 -26.611 1.00 63.03 O ATOM 0 H SER A 83 11.987 6.955 -25.636 1.00 75.31 H new ATOM 0 HA SER A 83 10.050 5.114 -26.901 1.00 10.42 H new ATOM 0 HB2 SER A 83 12.064 3.837 -27.565 1.00 10.22 H new ATOM 0 HB3 SER A 83 12.119 5.477 -28.178 1.00 10.22 H new ATOM 0 HG SER A 83 14.126 4.833 -27.212 1.00 63.03 H new ATOM 1267 N ARG A 84 10.220 3.268 -25.203 1.00 42.42 N ATOM 1268 CA ARG A 84 10.121 2.328 -24.093 1.00 51.12 C ATOM 1269 C ARG A 84 10.551 0.929 -24.526 1.00 43.25 C ATOM 1270 O ARG A 84 10.287 0.508 -25.651 1.00 12.51 O ATOM 1271 CB ARG A 84 8.689 2.290 -23.556 1.00 4.42 C ATOM 1272 CG ARG A 84 8.419 1.119 -22.625 1.00 11.24 C ATOM 1273 CD ARG A 84 7.001 1.161 -22.075 1.00 62.21 C ATOM 1274 NE ARG A 84 6.023 0.684 -23.048 1.00 21.33 N ATOM 1275 CZ ARG A 84 4.710 0.716 -22.847 1.00 61.11 C ATOM 1276 NH1 ARG A 84 4.222 1.201 -21.714 1.00 50.41 N ATOM 1277 NH2 ARG A 84 3.884 0.263 -23.781 1.00 3.04 N ATOM 0 H ARG A 84 9.673 3.011 -26.024 1.00 42.42 H new ATOM 0 HA ARG A 84 10.790 2.666 -23.302 1.00 51.12 H new ATOM 0 HB2 ARG A 84 8.484 3.220 -23.025 1.00 4.42 H new ATOM 0 HB3 ARG A 84 7.996 2.243 -24.396 1.00 4.42 H new ATOM 0 HG2 ARG A 84 8.575 0.183 -23.161 1.00 11.24 H new ATOM 0 HG3 ARG A 84 9.131 1.137 -21.800 1.00 11.24 H new ATOM 0 HD2 ARG A 84 6.943 0.550 -21.174 1.00 62.21 H new ATOM 0 HD3 ARG A 84 6.755 2.182 -21.784 1.00 62.21 H new ATOM 0 HE ARG A 84 6.366 0.305 -23.931 1.00 21.33 H new ATOM 0 HH11 ARG A 84 4.855 1.551 -20.994 1.00 50.41 H new ATOM 0 HH12 ARG A 84 3.214 1.225 -21.562 1.00 50.41 H new ATOM 0 HH21 ARG A 84 4.257 -0.110 -24.654 1.00 3.04 H new ATOM 0 HH22 ARG A 84 2.876 0.288 -23.626 1.00 3.04 H new ATOM 1291 N SER A 85 11.216 0.215 -23.623 1.00 12.21 N ATOM 1292 CA SER A 85 11.688 -1.134 -23.912 1.00 12.43 C ATOM 1293 C SER A 85 10.977 -2.158 -23.032 1.00 61.11 C ATOM 1294 O SER A 85 10.960 -2.035 -21.807 1.00 14.03 O ATOM 1295 CB SER A 85 13.200 -1.225 -23.701 1.00 42.03 C ATOM 1296 OG SER A 85 13.657 -2.557 -23.858 1.00 21.42 O ATOM 0 H SER A 85 11.440 0.548 -22.685 1.00 12.21 H new ATOM 0 HA SER A 85 11.461 -1.356 -24.955 1.00 12.43 H new ATOM 0 HB2 SER A 85 13.710 -0.576 -24.413 1.00 42.03 H new ATOM 0 HB3 SER A 85 13.454 -0.865 -22.704 1.00 42.03 H new ATOM 0 HG SER A 85 14.627 -2.589 -23.720 1.00 21.42 H new ATOM 1302 N GLY A 86 10.390 -3.169 -23.666 1.00 40.34 N ATOM 1303 CA GLY A 86 9.686 -4.200 -22.925 1.00 73.13 C ATOM 1304 C GLY A 86 10.266 -5.580 -23.161 1.00 64.32 C ATOM 1305 O GLY A 86 10.722 -5.892 -24.261 1.00 22.32 O ATOM 0 H GLY A 86 10.389 -3.292 -24.679 1.00 40.34 H new ATOM 0 HA2 GLY A 86 9.726 -3.970 -21.860 1.00 73.13 H new ATOM 0 HA3 GLY A 86 8.635 -4.197 -23.213 1.00 73.13 H new ATOM 1309 N THR A 87 10.251 -6.411 -22.122 1.00 22.14 N ATOM 1310 CA THR A 87 10.782 -7.765 -22.219 1.00 14.51 C ATOM 1311 C THR A 87 9.664 -8.800 -22.159 1.00 10.42 C ATOM 1312 O THR A 87 8.877 -8.825 -21.211 1.00 73.04 O ATOM 1313 CB THR A 87 11.793 -8.054 -21.094 1.00 54.24 C ATOM 1314 OG1 THR A 87 11.447 -7.309 -19.921 1.00 21.11 O ATOM 1315 CG2 THR A 87 13.206 -7.695 -21.530 1.00 14.53 C ATOM 0 H THR A 87 9.877 -6.169 -21.204 1.00 22.14 H new ATOM 0 HA THR A 87 11.289 -7.837 -23.181 1.00 14.51 H new ATOM 0 HB THR A 87 11.759 -9.120 -20.870 1.00 54.24 H new ATOM 0 HG1 THR A 87 12.094 -7.500 -19.210 1.00 21.11 H new ATOM 0 HG21 THR A 87 13.902 -7.908 -20.719 1.00 14.53 H new ATOM 0 HG22 THR A 87 13.478 -8.285 -22.405 1.00 14.53 H new ATOM 0 HG23 THR A 87 13.252 -6.635 -21.779 1.00 14.53 H new ATOM 1323 N LEU A 88 9.597 -9.652 -23.176 1.00 12.31 N ATOM 1324 CA LEU A 88 8.575 -10.690 -23.240 1.00 24.10 C ATOM 1325 C LEU A 88 9.141 -12.039 -22.807 1.00 42.05 C ATOM 1326 O LEU A 88 10.290 -12.366 -23.106 1.00 64.12 O ATOM 1327 CB LEU A 88 8.009 -10.792 -24.657 1.00 63.21 C ATOM 1328 CG LEU A 88 7.989 -12.191 -25.272 1.00 34.21 C ATOM 1329 CD1 LEU A 88 6.782 -12.357 -26.182 1.00 14.34 C ATOM 1330 CD2 LEU A 88 9.276 -12.456 -26.039 1.00 63.22 C ATOM 0 H LEU A 88 10.239 -9.644 -23.968 1.00 12.31 H new ATOM 0 HA LEU A 88 7.772 -10.417 -22.555 1.00 24.10 H new ATOM 0 HB2 LEU A 88 6.990 -10.406 -24.648 1.00 63.21 H new ATOM 0 HB3 LEU A 88 8.591 -10.139 -25.307 1.00 63.21 H new ATOM 0 HG LEU A 88 7.914 -12.920 -24.465 1.00 34.21 H new ATOM 0 HD11 LEU A 88 6.785 -13.359 -26.611 1.00 14.34 H new ATOM 0 HD12 LEU A 88 5.869 -12.212 -25.605 1.00 14.34 H new ATOM 0 HD13 LEU A 88 6.826 -11.619 -26.983 1.00 14.34 H new ATOM 0 HD21 LEU A 88 9.243 -13.457 -26.470 1.00 63.22 H new ATOM 0 HD22 LEU A 88 9.382 -11.721 -26.837 1.00 63.22 H new ATOM 0 HD23 LEU A 88 10.126 -12.380 -25.361 1.00 63.22 H new ATOM 1342 N LYS A 89 8.326 -12.819 -22.105 1.00 65.31 N ATOM 1343 CA LYS A 89 8.744 -14.134 -21.634 1.00 31.14 C ATOM 1344 C LYS A 89 7.921 -15.235 -22.295 1.00 12.02 C ATOM 1345 O LYS A 89 8.458 -16.266 -22.703 1.00 3.11 O ATOM 1346 CB LYS A 89 8.604 -14.223 -20.112 1.00 2.55 C ATOM 1347 CG LYS A 89 9.929 -14.164 -19.374 1.00 14.41 C ATOM 1348 CD LYS A 89 9.900 -15.002 -18.108 1.00 45.23 C ATOM 1349 CE LYS A 89 10.604 -16.335 -18.305 1.00 61.45 C ATOM 1350 NZ LYS A 89 9.722 -17.485 -17.965 1.00 1.54 N ATOM 0 H LYS A 89 7.372 -12.563 -21.850 1.00 65.31 H new ATOM 0 HA LYS A 89 9.791 -14.273 -21.905 1.00 31.14 H new ATOM 0 HB2 LYS A 89 7.969 -13.408 -19.766 1.00 2.55 H new ATOM 0 HB3 LYS A 89 8.097 -15.153 -19.856 1.00 2.55 H new ATOM 0 HG2 LYS A 89 10.726 -14.518 -20.027 1.00 14.41 H new ATOM 0 HG3 LYS A 89 10.160 -13.129 -19.121 1.00 14.41 H new ATOM 0 HD2 LYS A 89 10.378 -14.453 -17.296 1.00 45.23 H new ATOM 0 HD3 LYS A 89 8.866 -15.176 -17.809 1.00 45.23 H new ATOM 0 HE2 LYS A 89 10.932 -16.423 -19.341 1.00 61.45 H new ATOM 0 HE3 LYS A 89 11.499 -16.368 -17.684 1.00 61.45 H new ATOM 0 HZ1 LYS A 89 10.239 -18.375 -18.113 1.00 1.54 H new ATOM 0 HZ2 LYS A 89 9.430 -17.416 -16.969 1.00 1.54 H new ATOM 0 HZ3 LYS A 89 8.880 -17.469 -18.575 1.00 1.54 H new ATOM 1364 N LYS A 90 6.616 -15.010 -22.402 1.00 72.13 N ATOM 1365 CA LYS A 90 5.719 -15.981 -23.016 1.00 14.42 C ATOM 1366 C LYS A 90 5.489 -15.653 -24.489 1.00 40.40 C ATOM 1367 O LYS A 90 5.099 -14.537 -24.832 1.00 0.31 O ATOM 1368 CB LYS A 90 4.380 -16.010 -22.275 1.00 60.43 C ATOM 1369 CG LYS A 90 3.813 -17.409 -22.102 1.00 4.31 C ATOM 1370 CD LYS A 90 4.737 -18.287 -21.276 1.00 24.24 C ATOM 1371 CE LYS A 90 3.961 -19.121 -20.268 1.00 50.30 C ATOM 1372 NZ LYS A 90 3.206 -18.269 -19.308 1.00 71.43 N ATOM 0 H LYS A 90 6.156 -14.162 -22.071 1.00 72.13 H new ATOM 0 HA LYS A 90 6.186 -16.963 -22.948 1.00 14.42 H new ATOM 0 HB2 LYS A 90 4.507 -15.554 -21.293 1.00 60.43 H new ATOM 0 HB3 LYS A 90 3.659 -15.399 -22.819 1.00 60.43 H new ATOM 0 HG2 LYS A 90 2.838 -17.350 -21.619 1.00 4.31 H new ATOM 0 HG3 LYS A 90 3.657 -17.863 -23.081 1.00 4.31 H new ATOM 0 HD2 LYS A 90 5.301 -18.945 -21.936 1.00 24.24 H new ATOM 0 HD3 LYS A 90 5.461 -17.663 -20.753 1.00 24.24 H new ATOM 0 HE2 LYS A 90 3.268 -19.776 -20.796 1.00 50.30 H new ATOM 0 HE3 LYS A 90 4.651 -19.763 -19.720 1.00 50.30 H new ATOM 0 HZ1 LYS A 90 3.138 -18.756 -18.391 1.00 71.43 H new ATOM 0 HZ2 LYS A 90 3.702 -17.363 -19.183 1.00 71.43 H new ATOM 0 HZ3 LYS A 90 2.250 -18.092 -19.678 1.00 71.43 H new ATOM 1386 N ALA A 91 5.732 -16.632 -25.353 1.00 54.41 N ATOM 1387 CA ALA A 91 5.548 -16.448 -26.788 1.00 45.24 C ATOM 1388 C ALA A 91 4.236 -17.068 -27.257 1.00 44.02 C ATOM 1389 O ALA A 91 3.319 -16.361 -27.679 1.00 23.41 O ATOM 1390 CB ALA A 91 6.719 -17.047 -27.551 1.00 74.54 C ATOM 0 H ALA A 91 6.057 -17.561 -25.085 1.00 54.41 H new ATOM 0 HA ALA A 91 5.506 -15.378 -26.990 1.00 45.24 H new ATOM 0 HB1 ALA A 91 6.568 -16.902 -28.621 1.00 74.54 H new ATOM 0 HB2 ALA A 91 7.642 -16.555 -27.245 1.00 74.54 H new ATOM 0 HB3 ALA A 91 6.787 -18.113 -27.335 1.00 74.54 H new ATOM 1396 N LEU A 92 4.152 -18.391 -27.181 1.00 23.42 N ATOM 1397 CA LEU A 92 2.952 -19.107 -27.598 1.00 32.33 C ATOM 1398 C LEU A 92 2.697 -18.919 -29.091 1.00 5.11 C ATOM 1399 O LEU A 92 3.490 -18.291 -29.792 1.00 1.24 O ATOM 1400 CB LEU A 92 1.741 -18.624 -26.798 1.00 42.04 C ATOM 1401 CG LEU A 92 1.965 -18.424 -25.298 1.00 73.13 C ATOM 1402 CD1 LEU A 92 0.742 -17.788 -24.656 1.00 71.13 C ATOM 1403 CD2 LEU A 92 2.294 -19.749 -24.626 1.00 31.11 C ATOM 0 H LEU A 92 4.901 -18.990 -26.834 1.00 23.42 H new ATOM 0 HA LEU A 92 3.107 -20.168 -27.405 1.00 32.33 H new ATOM 0 HB2 LEU A 92 1.402 -17.679 -27.224 1.00 42.04 H new ATOM 0 HB3 LEU A 92 0.932 -19.342 -26.932 1.00 42.04 H new ATOM 0 HG LEU A 92 2.812 -17.751 -25.163 1.00 73.13 H new ATOM 0 HD11 LEU A 92 0.920 -17.653 -23.589 1.00 71.13 H new ATOM 0 HD12 LEU A 92 0.551 -16.819 -25.117 1.00 71.13 H new ATOM 0 HD13 LEU A 92 -0.123 -18.435 -24.801 1.00 71.13 H new ATOM 0 HD21 LEU A 92 2.450 -19.587 -23.559 1.00 31.11 H new ATOM 0 HD22 LEU A 92 1.468 -20.445 -24.770 1.00 31.11 H new ATOM 0 HD23 LEU A 92 3.200 -20.165 -25.066 1.00 31.11 H new ATOM 1415 N PHE A 93 1.583 -19.465 -29.569 1.00 74.14 N ATOM 1416 CA PHE A 93 1.222 -19.356 -30.977 1.00 54.14 C ATOM 1417 C PHE A 93 2.379 -19.795 -31.871 1.00 45.05 C ATOM 1418 O PHE A 93 2.619 -19.211 -32.927 1.00 0.21 O ATOM 1419 CB PHE A 93 0.822 -17.918 -31.313 1.00 31.01 C ATOM 1420 CG PHE A 93 -0.152 -17.818 -32.453 1.00 44.14 C ATOM 1421 CD1 PHE A 93 -1.517 -17.894 -32.223 1.00 32.24 C ATOM 1422 CD2 PHE A 93 0.296 -17.646 -33.752 1.00 71.43 C ATOM 1423 CE1 PHE A 93 -2.414 -17.804 -33.270 1.00 0.54 C ATOM 1424 CE2 PHE A 93 -0.597 -17.554 -34.803 1.00 1.32 C ATOM 1425 CZ PHE A 93 -1.954 -17.632 -34.561 1.00 2.40 C ATOM 0 H PHE A 93 0.915 -19.987 -29.002 1.00 74.14 H new ATOM 0 HA PHE A 93 0.373 -20.015 -31.160 1.00 54.14 H new ATOM 0 HB2 PHE A 93 0.383 -17.455 -30.429 1.00 31.01 H new ATOM 0 HB3 PHE A 93 1.718 -17.348 -31.560 1.00 31.01 H new ATOM 0 HD1 PHE A 93 -1.883 -18.025 -31.215 1.00 32.24 H new ATOM 0 HD2 PHE A 93 1.357 -17.583 -33.946 1.00 71.43 H new ATOM 0 HE1 PHE A 93 -3.475 -17.868 -33.079 1.00 0.54 H new ATOM 0 HE2 PHE A 93 -0.234 -17.421 -35.811 1.00 1.32 H new ATOM 0 HZ PHE A 93 -2.655 -17.559 -35.380 1.00 2.40 H new ATOM 1435 N ASN A 94 3.094 -20.829 -31.438 1.00 42.13 N ATOM 1436 CA ASN A 94 4.227 -21.346 -32.197 1.00 0.34 C ATOM 1437 C ASN A 94 5.294 -20.272 -32.382 1.00 21.14 C ATOM 1438 O ASN A 94 5.075 -19.104 -32.062 1.00 71.43 O ATOM 1439 CB ASN A 94 3.761 -21.860 -33.561 1.00 52.04 C ATOM 1440 CG ASN A 94 4.530 -23.086 -34.011 1.00 61.45 C ATOM 1441 OD1 ASN A 94 5.397 -23.587 -33.293 1.00 25.34 O ATOM 1442 ND2 ASN A 94 4.218 -23.576 -35.205 1.00 21.45 N ATOM 0 H ASN A 94 2.909 -21.325 -30.566 1.00 42.13 H new ATOM 0 HA ASN A 94 4.663 -22.172 -31.635 1.00 0.34 H new ATOM 0 HB2 ASN A 94 2.699 -22.099 -33.512 1.00 52.04 H new ATOM 0 HB3 ASN A 94 3.877 -21.070 -34.303 1.00 52.04 H new ATOM 0 HD21 ASN A 94 4.703 -24.399 -35.561 1.00 21.45 H new ATOM 0 HD22 ASN A 94 3.493 -23.129 -35.766 1.00 21.45 H new ATOM 1449 N ALA A 95 6.448 -20.676 -32.901 1.00 75.34 N ATOM 1450 CA ALA A 95 7.549 -19.749 -33.131 1.00 73.23 C ATOM 1451 C ALA A 95 7.861 -18.944 -31.874 1.00 61.24 C ATOM 1452 O ALA A 95 7.359 -19.247 -30.792 1.00 35.42 O ATOM 1453 CB ALA A 95 7.220 -18.817 -34.288 1.00 14.41 C ATOM 0 H ALA A 95 6.645 -21.640 -33.170 1.00 75.34 H new ATOM 0 HA ALA A 95 8.434 -20.331 -33.387 1.00 73.23 H new ATOM 0 HB1 ALA A 95 8.051 -18.130 -34.449 1.00 14.41 H new ATOM 0 HB2 ALA A 95 7.054 -19.403 -35.192 1.00 14.41 H new ATOM 0 HB3 ALA A 95 6.320 -18.249 -34.053 1.00 14.41 H new ATOM 1459 N GLU A 96 8.694 -17.919 -32.024 1.00 74.13 N ATOM 1460 CA GLU A 96 9.074 -17.073 -30.899 1.00 15.32 C ATOM 1461 C GLU A 96 8.794 -15.604 -31.204 1.00 51.32 C ATOM 1462 O GLU A 96 8.817 -15.183 -32.361 1.00 13.43 O ATOM 1463 CB GLU A 96 10.555 -17.262 -30.567 1.00 34.14 C ATOM 1464 CG GLU A 96 11.485 -16.946 -31.727 1.00 3.22 C ATOM 1465 CD GLU A 96 12.927 -16.780 -31.290 1.00 32.24 C ATOM 1466 OE1 GLU A 96 13.185 -15.938 -30.405 1.00 41.35 O ATOM 1467 OE2 GLU A 96 13.797 -17.492 -31.832 1.00 53.23 O ATOM 0 H GLU A 96 9.118 -17.655 -32.913 1.00 74.13 H new ATOM 0 HA GLU A 96 8.475 -17.368 -30.037 1.00 15.32 H new ATOM 0 HB2 GLU A 96 10.813 -16.624 -29.721 1.00 34.14 H new ATOM 0 HB3 GLU A 96 10.719 -18.292 -30.251 1.00 34.14 H new ATOM 0 HG2 GLU A 96 11.423 -17.745 -32.466 1.00 3.22 H new ATOM 0 HG3 GLU A 96 11.150 -16.032 -32.217 1.00 3.22 H new ATOM 1474 N CYS A 97 8.529 -14.828 -30.158 1.00 60.31 N ATOM 1475 CA CYS A 97 8.244 -13.407 -30.312 1.00 31.45 C ATOM 1476 C CYS A 97 9.457 -12.564 -29.931 1.00 32.41 C ATOM 1477 O CYS A 97 10.389 -13.054 -29.294 1.00 41.32 O ATOM 1478 CB CYS A 97 7.043 -13.011 -29.450 1.00 42.21 C ATOM 1479 SG CYS A 97 5.511 -12.728 -30.394 1.00 51.32 S ATOM 0 H CYS A 97 8.506 -15.160 -29.194 1.00 60.31 H new ATOM 0 HA CYS A 97 8.009 -13.220 -31.360 1.00 31.45 H new ATOM 0 HB2 CYS A 97 6.864 -13.794 -28.714 1.00 42.21 H new ATOM 0 HB3 CYS A 97 7.289 -12.104 -28.897 1.00 42.21 H new ATOM 1485 N GLN A 98 9.437 -11.296 -30.327 1.00 1.13 N ATOM 1486 CA GLN A 98 10.536 -10.385 -30.027 1.00 0.42 C ATOM 1487 C GLN A 98 10.694 -10.199 -28.522 1.00 53.21 C ATOM 1488 O GLN A 98 9.781 -9.726 -27.844 1.00 34.32 O ATOM 1489 CB GLN A 98 10.301 -9.031 -30.699 1.00 64.13 C ATOM 1490 CG GLN A 98 8.935 -8.433 -30.402 1.00 32.12 C ATOM 1491 CD GLN A 98 8.173 -8.065 -31.661 1.00 43.13 C ATOM 1492 OE1 GLN A 98 8.332 -6.967 -32.195 1.00 11.31 O ATOM 1493 NE2 GLN A 98 7.341 -8.981 -32.140 1.00 61.44 N ATOM 0 H GLN A 98 8.673 -10.876 -30.856 1.00 1.13 H new ATOM 0 HA GLN A 98 11.455 -10.822 -30.418 1.00 0.42 H new ATOM 0 HB2 GLN A 98 11.072 -8.334 -30.372 1.00 64.13 H new ATOM 0 HB3 GLN A 98 10.411 -9.146 -31.777 1.00 64.13 H new ATOM 0 HG2 GLN A 98 8.349 -9.146 -29.822 1.00 32.12 H new ATOM 0 HG3 GLN A 98 9.058 -7.544 -29.783 1.00 32.12 H new ATOM 0 HE21 GLN A 98 7.241 -9.878 -31.664 1.00 61.44 H new ATOM 0 HE22 GLN A 98 6.801 -8.788 -32.984 1.00 61.44 H new ATOM 1502 N THR A 99 11.859 -10.574 -28.003 1.00 75.32 N ATOM 1503 CA THR A 99 12.137 -10.451 -26.579 1.00 4.22 C ATOM 1504 C THR A 99 12.304 -8.990 -26.176 1.00 4.10 C ATOM 1505 O THR A 99 12.402 -8.669 -24.990 1.00 74.45 O ATOM 1506 CB THR A 99 13.406 -11.228 -26.183 1.00 33.44 C ATOM 1507 OG1 THR A 99 13.565 -11.218 -24.760 1.00 70.22 O ATOM 1508 CG2 THR A 99 14.638 -10.624 -26.841 1.00 25.21 C ATOM 0 H THR A 99 12.626 -10.966 -28.550 1.00 75.32 H new ATOM 0 HA THR A 99 11.282 -10.876 -26.053 1.00 4.22 H new ATOM 0 HB THR A 99 13.297 -12.256 -26.527 1.00 33.44 H new ATOM 0 HG1 THR A 99 13.260 -10.358 -24.403 1.00 70.22 H new ATOM 0 HG21 THR A 99 15.522 -11.190 -26.546 1.00 25.21 H new ATOM 0 HG22 THR A 99 14.527 -10.662 -27.925 1.00 25.21 H new ATOM 0 HG23 THR A 99 14.748 -9.587 -26.524 1.00 25.21 H new ATOM 1516 N THR A 100 12.334 -8.107 -27.168 1.00 60.20 N ATOM 1517 CA THR A 100 12.490 -6.680 -26.918 1.00 43.30 C ATOM 1518 C THR A 100 11.579 -5.859 -27.825 1.00 62.54 C ATOM 1519 O THR A 100 11.484 -6.121 -29.023 1.00 34.54 O ATOM 1520 CB THR A 100 13.947 -6.228 -27.127 1.00 71.13 C ATOM 1521 OG1 THR A 100 14.784 -7.367 -27.360 1.00 53.34 O ATOM 1522 CG2 THR A 100 14.455 -5.458 -25.918 1.00 24.50 C ATOM 0 H THR A 100 12.252 -8.355 -28.154 1.00 60.20 H new ATOM 0 HA THR A 100 12.211 -6.510 -25.878 1.00 43.30 H new ATOM 0 HB THR A 100 13.979 -5.570 -27.995 1.00 71.13 H new ATOM 0 HG1 THR A 100 15.709 -7.072 -27.494 1.00 53.34 H new ATOM 0 HG21 THR A 100 15.486 -5.150 -26.090 1.00 24.50 H new ATOM 0 HG22 THR A 100 13.834 -4.576 -25.761 1.00 24.50 H new ATOM 0 HG23 THR A 100 14.409 -6.096 -25.035 1.00 24.50 H new ATOM 1530 N ILE A 101 10.915 -4.866 -27.245 1.00 1.02 N ATOM 1531 CA ILE A 101 10.014 -4.006 -28.002 1.00 13.13 C ATOM 1532 C ILE A 101 10.527 -2.570 -28.041 1.00 35.35 C ATOM 1533 O ILE A 101 11.033 -2.053 -27.046 1.00 62.22 O ATOM 1534 CB ILE A 101 8.593 -4.016 -27.408 1.00 51.32 C ATOM 1535 CG1 ILE A 101 8.537 -4.927 -26.179 1.00 54.50 C ATOM 1536 CG2 ILE A 101 7.584 -4.466 -28.453 1.00 11.14 C ATOM 1537 CD1 ILE A 101 7.181 -4.955 -25.510 1.00 32.42 C ATOM 0 H ILE A 101 10.984 -4.637 -26.253 1.00 1.02 H new ATOM 0 HA ILE A 101 9.977 -4.404 -29.016 1.00 13.13 H new ATOM 0 HB ILE A 101 8.338 -3.002 -27.099 1.00 51.32 H new ATOM 0 HG12 ILE A 101 8.808 -5.940 -26.475 1.00 54.50 H new ATOM 0 HG13 ILE A 101 9.283 -4.596 -25.457 1.00 54.50 H new ATOM 0 HG21 ILE A 101 6.585 -4.468 -28.017 1.00 11.14 H new ATOM 0 HG22 ILE A 101 7.609 -3.782 -29.301 1.00 11.14 H new ATOM 0 HG23 ILE A 101 7.834 -5.472 -28.791 1.00 11.14 H new ATOM 0 HD11 ILE A 101 7.215 -5.620 -24.647 1.00 32.42 H new ATOM 0 HD12 ILE A 101 6.916 -3.950 -25.183 1.00 32.42 H new ATOM 0 HD13 ILE A 101 6.434 -5.315 -26.217 1.00 32.42 H new ATOM 1549 N LYS A 102 10.391 -1.931 -29.198 1.00 10.34 N ATOM 1550 CA LYS A 102 10.838 -0.553 -29.368 1.00 3.43 C ATOM 1551 C LYS A 102 9.674 0.350 -29.764 1.00 53.14 C ATOM 1552 O LYS A 102 9.382 0.520 -30.948 1.00 72.20 O ATOM 1553 CB LYS A 102 11.939 -0.479 -30.428 1.00 11.14 C ATOM 1554 CG LYS A 102 12.594 0.887 -30.530 1.00 62.10 C ATOM 1555 CD LYS A 102 13.896 0.941 -29.749 1.00 64.21 C ATOM 1556 CE LYS A 102 14.921 1.830 -30.435 1.00 33.41 C ATOM 1557 NZ LYS A 102 14.461 3.242 -30.522 1.00 53.25 N ATOM 0 H LYS A 102 9.975 -2.345 -30.032 1.00 10.34 H new ATOM 0 HA LYS A 102 11.237 -0.206 -28.415 1.00 3.43 H new ATOM 0 HB2 LYS A 102 12.702 -1.223 -30.199 1.00 11.14 H new ATOM 0 HB3 LYS A 102 11.517 -0.743 -31.397 1.00 11.14 H new ATOM 0 HG2 LYS A 102 12.787 1.122 -31.577 1.00 62.10 H new ATOM 0 HG3 LYS A 102 11.911 1.648 -30.153 1.00 62.10 H new ATOM 0 HD2 LYS A 102 13.703 1.315 -28.744 1.00 64.21 H new ATOM 0 HD3 LYS A 102 14.300 -0.066 -29.642 1.00 64.21 H new ATOM 0 HE2 LYS A 102 15.862 1.788 -29.887 1.00 33.41 H new ATOM 0 HE3 LYS A 102 15.118 1.450 -31.437 1.00 33.41 H new ATOM 0 HZ1 LYS A 102 15.227 3.834 -30.903 1.00 53.25 H new ATOM 0 HZ2 LYS A 102 13.634 3.300 -31.150 1.00 53.25 H new ATOM 0 HZ3 LYS A 102 14.200 3.581 -29.574 1.00 53.25 H new ATOM 1571 N VAL A 103 9.014 0.930 -28.766 1.00 3.33 N ATOM 1572 CA VAL A 103 7.884 1.819 -29.011 1.00 21.23 C ATOM 1573 C VAL A 103 8.246 3.266 -28.696 1.00 13.15 C ATOM 1574 O VAL A 103 9.223 3.534 -27.998 1.00 54.23 O ATOM 1575 CB VAL A 103 6.659 1.413 -28.170 1.00 13.14 C ATOM 1576 CG1 VAL A 103 5.981 0.190 -28.771 1.00 3.21 C ATOM 1577 CG2 VAL A 103 7.064 1.153 -26.728 1.00 61.12 C ATOM 0 H VAL A 103 9.242 0.800 -27.780 1.00 3.33 H new ATOM 0 HA VAL A 103 7.635 1.732 -30.069 1.00 21.23 H new ATOM 0 HB VAL A 103 5.945 2.237 -28.179 1.00 13.14 H new ATOM 0 HG11 VAL A 103 5.118 -0.083 -28.164 1.00 3.21 H new ATOM 0 HG12 VAL A 103 5.654 0.417 -29.786 1.00 3.21 H new ATOM 0 HG13 VAL A 103 6.685 -0.642 -28.794 1.00 3.21 H new ATOM 0 HG21 VAL A 103 6.186 0.867 -26.149 1.00 61.12 H new ATOM 0 HG22 VAL A 103 7.797 0.347 -26.696 1.00 61.12 H new ATOM 0 HG23 VAL A 103 7.500 2.058 -26.304 1.00 61.12 H new ATOM 1587 N SER A 104 7.450 4.194 -29.216 1.00 44.55 N ATOM 1588 CA SER A 104 7.687 5.617 -28.994 1.00 63.52 C ATOM 1589 C SER A 104 6.376 6.352 -28.732 1.00 72.32 C ATOM 1590 O SER A 104 5.314 5.935 -29.194 1.00 1.21 O ATOM 1591 CB SER A 104 8.398 6.231 -30.200 1.00 33.01 C ATOM 1592 OG SER A 104 8.972 5.228 -31.020 1.00 21.45 O ATOM 0 H SER A 104 6.635 3.987 -29.794 1.00 44.55 H new ATOM 0 HA SER A 104 8.323 5.722 -28.115 1.00 63.52 H new ATOM 0 HB2 SER A 104 7.689 6.820 -30.783 1.00 33.01 H new ATOM 0 HB3 SER A 104 9.175 6.914 -29.858 1.00 33.01 H new ATOM 0 HG SER A 104 9.419 5.647 -31.785 1.00 21.45 H new ATOM 1598 N LYS A 105 6.460 7.449 -27.986 1.00 35.24 N ATOM 1599 CA LYS A 105 5.281 8.246 -27.663 1.00 72.51 C ATOM 1600 C LYS A 105 5.656 9.709 -27.453 1.00 54.20 C ATOM 1601 O LYS A 105 6.390 10.060 -26.529 1.00 42.50 O ATOM 1602 CB LYS A 105 4.599 7.697 -26.407 1.00 74.00 C ATOM 1603 CG LYS A 105 3.165 8.166 -26.241 1.00 53.51 C ATOM 1604 CD LYS A 105 2.499 7.509 -25.044 1.00 1.54 C ATOM 1605 CE LYS A 105 1.528 8.457 -24.357 1.00 4.34 C ATOM 1606 NZ LYS A 105 2.076 8.978 -23.073 1.00 14.44 N ATOM 0 H LYS A 105 7.331 7.806 -27.594 1.00 35.24 H new ATOM 0 HA LYS A 105 4.588 8.184 -28.502 1.00 72.51 H new ATOM 0 HB2 LYS A 105 4.615 6.608 -26.442 1.00 74.00 H new ATOM 0 HB3 LYS A 105 5.174 7.996 -25.531 1.00 74.00 H new ATOM 0 HG2 LYS A 105 3.147 9.249 -26.119 1.00 53.51 H new ATOM 0 HG3 LYS A 105 2.599 7.937 -27.144 1.00 53.51 H new ATOM 0 HD2 LYS A 105 1.968 6.614 -25.368 1.00 1.54 H new ATOM 0 HD3 LYS A 105 3.261 7.188 -24.333 1.00 1.54 H new ATOM 0 HE2 LYS A 105 1.304 9.292 -25.021 1.00 4.34 H new ATOM 0 HE3 LYS A 105 0.588 7.939 -24.167 1.00 4.34 H new ATOM 0 HZ1 LYS A 105 1.385 9.620 -22.636 1.00 14.44 H new ATOM 0 HZ2 LYS A 105 2.266 8.184 -22.429 1.00 14.44 H new ATOM 0 HZ3 LYS A 105 2.960 9.494 -23.257 1.00 14.44 H new ATOM 1620 N PRO A 106 5.140 10.584 -28.329 1.00 10.13 N ATOM 1621 CA PRO A 106 5.404 12.024 -28.259 1.00 64.12 C ATOM 1622 C PRO A 106 4.732 12.680 -27.057 1.00 3.15 C ATOM 1623 O PRO A 106 3.507 12.642 -26.921 1.00 74.54 O ATOM 1624 CB PRO A 106 4.808 12.559 -29.563 1.00 52.21 C ATOM 1625 CG PRO A 106 3.757 11.571 -29.932 1.00 25.25 C ATOM 1626 CD PRO A 106 4.257 10.236 -29.455 1.00 0.04 C ATOM 0 HA PRO A 106 6.466 12.237 -28.141 1.00 64.12 H new ATOM 0 HB2 PRO A 106 4.385 13.554 -29.426 1.00 52.21 H new ATOM 0 HB3 PRO A 106 5.567 12.639 -30.341 1.00 52.21 H new ATOM 0 HG2 PRO A 106 2.805 11.821 -29.464 1.00 25.25 H new ATOM 0 HG3 PRO A 106 3.590 11.563 -31.009 1.00 25.25 H new ATOM 0 HD2 PRO A 106 3.438 9.590 -29.138 1.00 0.04 H new ATOM 0 HD3 PRO A 106 4.797 9.705 -30.240 1.00 0.04 H new ATOM 1634 N CYS A 107 5.537 13.280 -26.188 1.00 70.23 N ATOM 1635 CA CYS A 107 5.020 13.944 -24.997 1.00 72.10 C ATOM 1636 C CYS A 107 5.846 15.182 -24.663 1.00 72.22 C ATOM 1637 O CYS A 107 6.991 15.315 -25.099 1.00 42.24 O ATOM 1638 CB CYS A 107 5.020 12.980 -23.809 1.00 70.43 C ATOM 1639 SG CYS A 107 6.663 12.306 -23.400 1.00 73.04 S ATOM 0 H CYS A 107 6.551 13.320 -26.286 1.00 70.23 H new ATOM 0 HA CYS A 107 3.996 14.257 -25.201 1.00 72.10 H new ATOM 0 HB2 CYS A 107 4.623 13.497 -22.935 1.00 70.43 H new ATOM 0 HB3 CYS A 107 4.343 12.153 -24.025 1.00 70.43 H new ATOM 1645 N THR A 108 5.260 16.086 -23.886 1.00 44.42 N ATOM 1646 CA THR A 108 5.940 17.314 -23.493 1.00 64.04 C ATOM 1647 C THR A 108 6.353 17.269 -22.026 1.00 63.20 C ATOM 1648 O THR A 108 5.659 16.707 -21.178 1.00 72.51 O ATOM 1649 CB THR A 108 5.050 18.549 -23.725 1.00 10.14 C ATOM 1650 OG1 THR A 108 5.617 19.692 -23.074 1.00 35.11 O ATOM 1651 CG2 THR A 108 3.642 18.308 -23.201 1.00 22.31 C ATOM 0 H THR A 108 4.314 15.991 -23.516 1.00 44.42 H new ATOM 0 HA THR A 108 6.830 17.394 -24.117 1.00 64.04 H new ATOM 0 HB THR A 108 4.995 18.733 -24.798 1.00 10.14 H new ATOM 0 HG1 THR A 108 5.046 20.473 -23.228 1.00 35.11 H new ATOM 0 HG21 THR A 108 3.032 19.194 -23.376 1.00 22.31 H new ATOM 0 HG22 THR A 108 3.202 17.456 -23.719 1.00 22.31 H new ATOM 0 HG23 THR A 108 3.682 18.101 -22.132 1.00 22.31 H new