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 67 TYR OH : rot 111:sc= 1.35 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.0212 X(o=1.4,f=1.3) USER MOD Set 2.1: A 29 ASN :FLIP amide:sc= -0.748 F(o=-1.4,f=-0.85) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= -0.1 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0865 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.22 K(o=-1.2,f=-2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0906 K(o=-0.091,f=-1.1) USER MOD Single : A 45 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -0.617 (180deg=-3.74!) 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+ -113:sc= -0.409 (180deg=-1.32!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00722 K(o=-0.0072,f=-1.5) 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= 0.114 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 46:sc= 0.0296 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.152 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0159 USER MOD ----------------------------------------------------------------- ATOM 268 N CYS A 18 -7.757 21.301 -9.111 1.00 32.41 N ATOM 269 CA CYS A 18 -7.611 21.496 -10.549 1.00 24.24 C ATOM 270 C CYS A 18 -8.969 21.439 -11.246 1.00 40.44 C ATOM 271 O CYS A 18 -9.771 20.540 -10.991 1.00 32.23 O ATOM 272 CB CYS A 18 -6.679 20.435 -11.137 1.00 34.34 C ATOM 273 SG CYS A 18 -4.989 21.031 -11.465 1.00 51.40 S ATOM 0 HA CYS A 18 -7.178 22.482 -10.715 1.00 24.24 H new ATOM 0 HB2 CYS A 18 -6.628 19.590 -10.450 1.00 34.34 H new ATOM 0 HB3 CYS A 18 -7.109 20.064 -12.067 1.00 34.34 H new ATOM 279 N SER A 19 -9.217 22.403 -12.126 1.00 54.12 N ATOM 280 CA SER A 19 -10.477 22.465 -12.856 1.00 62.40 C ATOM 281 C SER A 19 -10.368 21.734 -14.191 1.00 20.31 C ATOM 282 O SER A 19 -11.242 20.948 -14.553 1.00 25.30 O ATOM 283 CB SER A 19 -10.885 23.921 -13.092 1.00 74.45 C ATOM 284 OG SER A 19 -9.873 24.626 -13.792 1.00 53.20 O ATOM 0 H SER A 19 -8.562 23.152 -12.351 1.00 54.12 H new ATOM 0 HA SER A 19 -11.241 21.974 -12.253 1.00 62.40 H new ATOM 0 HB2 SER A 19 -11.815 23.954 -13.659 1.00 74.45 H new ATOM 0 HB3 SER A 19 -11.077 24.408 -12.136 1.00 74.45 H new ATOM 0 HG SER A 19 -10.158 25.553 -13.932 1.00 53.20 H new ATOM 290 N GLU A 20 -9.286 22.000 -14.918 1.00 4.01 N ATOM 291 CA GLU A 20 -9.062 21.368 -16.212 1.00 21.53 C ATOM 292 C GLU A 20 -7.914 20.367 -16.138 1.00 60.33 C ATOM 293 O GLU A 20 -6.780 20.678 -16.502 1.00 31.05 O ATOM 294 CB GLU A 20 -8.763 22.426 -17.276 1.00 40.10 C ATOM 295 CG GLU A 20 -9.041 21.959 -18.695 1.00 24.25 C ATOM 296 CD GLU A 20 -10.355 22.490 -19.237 1.00 41.35 C ATOM 297 OE1 GLU A 20 -11.328 22.571 -18.459 1.00 11.32 O ATOM 298 OE2 GLU A 20 -10.408 22.824 -20.439 1.00 12.13 O ATOM 0 H GLU A 20 -8.552 22.648 -14.632 1.00 4.01 H new ATOM 0 HA GLU A 20 -9.970 20.832 -16.487 1.00 21.53 H new ATOM 0 HB2 GLU A 20 -9.361 23.314 -17.071 1.00 40.10 H new ATOM 0 HB3 GLU A 20 -7.717 22.721 -17.198 1.00 40.10 H new ATOM 0 HG2 GLU A 20 -8.227 22.281 -19.345 1.00 24.25 H new ATOM 0 HG3 GLU A 20 -9.056 20.869 -18.719 1.00 24.25 H new ATOM 305 N TRP A 21 -8.216 19.163 -15.664 1.00 51.31 N ATOM 306 CA TRP A 21 -7.208 18.116 -15.540 1.00 41.31 C ATOM 307 C TRP A 21 -6.702 17.683 -16.912 1.00 12.41 C ATOM 308 O TRP A 21 -7.490 17.341 -17.793 1.00 41.32 O ATOM 309 CB TRP A 21 -7.784 16.912 -14.792 1.00 74.31 C ATOM 310 CG TRP A 21 -7.545 16.962 -13.313 1.00 14.04 C ATOM 311 CD1 TRP A 21 -8.176 17.765 -12.407 1.00 24.45 C ATOM 312 CD2 TRP A 21 -6.605 16.177 -12.570 1.00 1.13 C ATOM 313 NE1 TRP A 21 -7.687 17.528 -11.145 1.00 64.32 N ATOM 314 CE2 TRP A 21 -6.723 16.557 -11.219 1.00 12.24 C ATOM 315 CE3 TRP A 21 -5.679 15.190 -12.914 1.00 13.03 C ATOM 316 CZ2 TRP A 21 -5.948 15.984 -10.215 1.00 55.33 C ATOM 317 CZ3 TRP A 21 -4.909 14.623 -11.916 1.00 61.43 C ATOM 318 CH2 TRP A 21 -5.048 15.020 -10.579 1.00 63.44 C ATOM 0 H TRP A 21 -9.150 18.888 -15.360 1.00 51.31 H new ATOM 0 HA TRP A 21 -6.368 18.519 -14.974 1.00 41.31 H new ATOM 0 HB2 TRP A 21 -8.857 16.857 -14.978 1.00 74.31 H new ATOM 0 HB3 TRP A 21 -7.344 15.999 -15.193 1.00 74.31 H new ATOM 0 HD1 TRP A 21 -8.947 18.482 -12.647 1.00 24.45 H new ATOM 0 HE1 TRP A 21 -7.992 17.998 -10.293 1.00 64.32 H new ATOM 0 HE3 TRP A 21 -5.567 14.875 -13.941 1.00 13.03 H new ATOM 0 HZ2 TRP A 21 -6.053 16.290 -9.185 1.00 55.33 H new ATOM 0 HZ3 TRP A 21 -4.188 13.861 -12.171 1.00 61.43 H new ATOM 0 HH2 TRP A 21 -4.433 14.556 -9.822 1.00 63.44 H new ATOM 329 N GLN A 22 -5.384 17.701 -17.084 1.00 0.21 N ATOM 330 CA GLN A 22 -4.776 17.310 -18.350 1.00 55.44 C ATOM 331 C GLN A 22 -4.450 15.820 -18.360 1.00 21.04 C ATOM 332 O GLN A 22 -3.472 15.384 -17.752 1.00 23.53 O ATOM 333 CB GLN A 22 -3.504 18.124 -18.601 1.00 50.11 C ATOM 334 CG GLN A 22 -2.528 18.102 -17.435 1.00 71.13 C ATOM 335 CD GLN A 22 -2.275 19.481 -16.860 1.00 50.45 C ATOM 336 OE1 GLN A 22 -3.205 20.176 -16.450 1.00 65.23 O ATOM 337 NE2 GLN A 22 -1.011 19.886 -16.825 1.00 61.13 N ATOM 0 H GLN A 22 -4.718 17.982 -16.364 1.00 0.21 H new ATOM 0 HA GLN A 22 -5.492 17.512 -19.146 1.00 55.44 H new ATOM 0 HB2 GLN A 22 -3.005 17.738 -19.489 1.00 50.11 H new ATOM 0 HB3 GLN A 22 -3.780 19.157 -18.814 1.00 50.11 H new ATOM 0 HG2 GLN A 22 -2.918 17.452 -16.652 1.00 71.13 H new ATOM 0 HG3 GLN A 22 -1.583 17.671 -17.765 1.00 71.13 H new ATOM 0 HE21 GLN A 22 -0.271 19.278 -17.175 1.00 61.13 H new ATOM 0 HE22 GLN A 22 -0.780 20.805 -16.448 1.00 61.13 H new ATOM 346 N TYR A 23 -5.275 15.045 -19.055 1.00 4.53 N ATOM 347 CA TYR A 23 -5.077 13.603 -19.142 1.00 2.23 C ATOM 348 C TYR A 23 -4.250 13.241 -20.372 1.00 65.32 C ATOM 349 O TYR A 23 -4.278 13.942 -21.382 1.00 11.22 O ATOM 350 CB TYR A 23 -6.426 12.883 -19.190 1.00 13.30 C ATOM 351 CG TYR A 23 -7.511 13.577 -18.396 1.00 70.42 C ATOM 352 CD1 TYR A 23 -7.592 13.429 -17.018 1.00 54.51 C ATOM 353 CD2 TYR A 23 -8.455 14.379 -19.026 1.00 11.01 C ATOM 354 CE1 TYR A 23 -8.581 14.060 -16.289 1.00 44.35 C ATOM 355 CE2 TYR A 23 -9.447 15.014 -18.305 1.00 34.21 C ATOM 356 CZ TYR A 23 -9.506 14.852 -16.937 1.00 72.02 C ATOM 357 OH TYR A 23 -10.493 15.483 -16.215 1.00 44.41 O ATOM 0 H TYR A 23 -6.087 15.391 -19.566 1.00 4.53 H new ATOM 0 HA TYR A 23 -4.534 13.282 -18.253 1.00 2.23 H new ATOM 0 HB2 TYR A 23 -6.746 12.797 -20.228 1.00 13.30 H new ATOM 0 HB3 TYR A 23 -6.301 11.869 -18.810 1.00 13.30 H new ATOM 0 HD1 TYR A 23 -6.869 12.810 -16.507 1.00 54.51 H new ATOM 0 HD2 TYR A 23 -8.412 14.508 -20.097 1.00 11.01 H new ATOM 0 HE1 TYR A 23 -8.630 13.934 -15.217 1.00 44.35 H new ATOM 0 HE2 TYR A 23 -10.173 15.634 -18.810 1.00 34.21 H new ATOM 0 HH TYR A 23 -11.061 16.002 -16.822 1.00 44.41 H new ATOM 367 N GLY A 24 -3.516 12.136 -20.279 1.00 12.23 N ATOM 368 CA GLY A 24 -2.691 11.697 -21.390 1.00 41.42 C ATOM 369 C GLY A 24 -3.256 10.473 -22.083 1.00 11.23 C ATOM 370 O GLY A 24 -4.439 10.160 -21.940 1.00 70.12 O ATOM 0 H GLY A 24 -3.478 11.537 -19.454 1.00 12.23 H new ATOM 0 HA2 GLY A 24 -2.597 12.508 -22.112 1.00 41.42 H new ATOM 0 HA3 GLY A 24 -1.687 11.475 -21.028 1.00 41.42 H new ATOM 374 N LYS A 25 -2.411 9.780 -22.837 1.00 62.53 N ATOM 375 CA LYS A 25 -2.831 8.583 -23.556 1.00 31.54 C ATOM 376 C LYS A 25 -3.341 7.519 -22.591 1.00 43.22 C ATOM 377 O LYS A 25 -3.014 7.535 -21.403 1.00 52.02 O ATOM 378 CB LYS A 25 -1.670 8.025 -24.381 1.00 71.41 C ATOM 379 CG LYS A 25 -0.640 7.276 -23.554 1.00 15.12 C ATOM 380 CD LYS A 25 0.263 8.232 -22.790 1.00 22.23 C ATOM 381 CE LYS A 25 -0.136 8.325 -21.326 1.00 43.20 C ATOM 382 NZ LYS A 25 1.052 8.359 -20.428 1.00 65.04 N ATOM 0 H LYS A 25 -1.430 10.027 -22.967 1.00 62.53 H new ATOM 0 HA LYS A 25 -3.645 8.859 -24.226 1.00 31.54 H new ATOM 0 HB2 LYS A 25 -2.067 7.356 -25.144 1.00 71.41 H new ATOM 0 HB3 LYS A 25 -1.178 8.846 -24.902 1.00 71.41 H new ATOM 0 HG2 LYS A 25 -1.147 6.614 -22.852 1.00 15.12 H new ATOM 0 HG3 LYS A 25 -0.036 6.646 -24.207 1.00 15.12 H new ATOM 0 HD2 LYS A 25 1.297 7.896 -22.866 1.00 22.23 H new ATOM 0 HD3 LYS A 25 0.215 9.221 -23.245 1.00 22.23 H new ATOM 0 HE2 LYS A 25 -0.735 9.222 -21.169 1.00 43.20 H new ATOM 0 HE3 LYS A 25 -0.764 7.473 -21.066 1.00 43.20 H new ATOM 0 HZ1 LYS A 25 0.738 8.423 -19.439 1.00 65.04 H new ATOM 0 HZ2 LYS A 25 1.611 7.492 -20.559 1.00 65.04 H new ATOM 0 HZ3 LYS A 25 1.638 9.187 -20.659 1.00 65.04 H new ATOM 396 N CYS A 26 -4.141 6.592 -23.106 1.00 24.01 N ATOM 397 CA CYS A 26 -4.695 5.519 -22.290 1.00 41.14 C ATOM 398 C CYS A 26 -3.942 4.213 -22.525 1.00 61.02 C ATOM 399 O CYS A 26 -4.048 3.605 -23.590 1.00 74.11 O ATOM 400 CB CYS A 26 -6.181 5.326 -22.602 1.00 74.44 C ATOM 401 SG CYS A 26 -7.175 6.844 -22.450 1.00 52.40 S ATOM 0 H CYS A 26 -4.420 6.562 -24.087 1.00 24.01 H new ATOM 0 HA CYS A 26 -4.584 5.800 -21.243 1.00 41.14 H new ATOM 0 HB2 CYS A 26 -6.281 4.939 -23.616 1.00 74.44 H new ATOM 0 HB3 CYS A 26 -6.587 4.570 -21.930 1.00 74.44 H new ATOM 407 N VAL A 27 -3.180 3.786 -21.522 1.00 71.32 N ATOM 408 CA VAL A 27 -2.410 2.552 -21.618 1.00 32.33 C ATOM 409 C VAL A 27 -2.908 1.514 -20.618 1.00 24.51 C ATOM 410 O VAL A 27 -3.038 1.778 -19.424 1.00 12.45 O ATOM 411 CB VAL A 27 -0.911 2.807 -21.373 1.00 42.44 C ATOM 412 CG1 VAL A 27 -0.711 3.683 -20.146 1.00 13.02 C ATOM 413 CG2 VAL A 27 -0.165 1.489 -21.224 1.00 53.11 C ATOM 0 H VAL A 27 -3.080 4.277 -20.634 1.00 71.32 H new ATOM 0 HA VAL A 27 -2.546 2.171 -22.630 1.00 32.33 H new ATOM 0 HB VAL A 27 -0.504 3.334 -22.236 1.00 42.44 H new ATOM 0 HG11 VAL A 27 0.354 3.852 -19.989 1.00 13.02 H new ATOM 0 HG12 VAL A 27 -1.212 4.639 -20.296 1.00 13.02 H new ATOM 0 HG13 VAL A 27 -1.132 3.186 -19.272 1.00 13.02 H new ATOM 0 HG21 VAL A 27 0.893 1.687 -21.051 1.00 53.11 H new ATOM 0 HG22 VAL A 27 -0.573 0.934 -20.379 1.00 53.11 H new ATOM 0 HG23 VAL A 27 -0.280 0.901 -22.134 1.00 53.11 H new ATOM 423 N PRO A 28 -3.195 0.302 -21.118 1.00 55.11 N ATOM 424 CA PRO A 28 -3.683 -0.801 -20.286 1.00 55.52 C ATOM 425 C PRO A 28 -2.609 -1.335 -19.343 1.00 22.13 C ATOM 426 O PRO A 28 -1.611 -1.903 -19.783 1.00 73.32 O ATOM 427 CB PRO A 28 -4.076 -1.870 -21.308 1.00 72.34 C ATOM 428 CG PRO A 28 -3.236 -1.577 -22.505 1.00 0.41 C ATOM 429 CD PRO A 28 -3.063 -0.084 -22.533 1.00 13.53 C ATOM 0 HA PRO A 28 -4.502 -0.490 -19.637 1.00 55.52 H new ATOM 0 HB2 PRO A 28 -3.884 -2.873 -20.926 1.00 72.34 H new ATOM 0 HB3 PRO A 28 -5.138 -1.818 -21.547 1.00 72.34 H new ATOM 0 HG2 PRO A 28 -2.272 -2.081 -22.438 1.00 0.41 H new ATOM 0 HG3 PRO A 28 -3.718 -1.931 -23.416 1.00 0.41 H new ATOM 0 HD2 PRO A 28 -2.092 0.200 -22.938 1.00 13.53 H new ATOM 0 HD3 PRO A 28 -3.820 0.397 -23.153 1.00 13.53 H new ATOM 437 N ASN A 29 -2.822 -1.149 -18.045 1.00 2.44 N ATOM 438 CA ASN A 29 -1.873 -1.612 -17.040 1.00 3.40 C ATOM 439 C ASN A 29 -2.167 -3.054 -16.637 1.00 3.15 C ATOM 440 O ASN A 29 -1.255 -3.823 -16.331 1.00 32.42 O ATOM 441 CB ASN A 29 -1.920 -0.707 -15.807 1.00 32.30 C ATOM 442 CG ASN A 29 -3.156 -0.944 -14.963 1.00 3.43 C ATOM 443 OD1 ASN A 29 -4.231 -0.229 -15.274 1.00 13.15 O flip ATOM 444 ND2 ASN A 29 -3.145 -1.762 -14.042 1.00 3.33 N flip ATOM 0 H ASN A 29 -3.644 -0.680 -17.664 1.00 2.44 H new ATOM 0 HA ASN A 29 -0.874 -1.571 -17.475 1.00 3.40 H new ATOM 0 HB2 ASN A 29 -1.031 -0.878 -15.200 1.00 32.30 H new ATOM 0 HB3 ASN A 29 -1.894 0.336 -16.124 1.00 32.30 H new ATOM 0 HD21 ASN A 29 -2.296 -2.289 -13.839 1.00 3.33 H new ATOM 0 HD22 ASN A 29 -3.985 -1.912 -13.483 1.00 3.33 H new ATOM 451 N SER A 30 -3.446 -3.414 -16.639 1.00 64.52 N ATOM 452 CA SER A 30 -3.862 -4.763 -16.272 1.00 11.25 C ATOM 453 C SER A 30 -4.457 -5.495 -17.471 1.00 31.14 C ATOM 454 O SER A 30 -5.579 -5.213 -17.890 1.00 54.30 O ATOM 455 CB SER A 30 -4.883 -4.711 -15.133 1.00 41.24 C ATOM 456 OG SER A 30 -5.327 -3.386 -14.906 1.00 11.11 O ATOM 0 H SER A 30 -4.213 -2.790 -16.891 1.00 64.52 H new ATOM 0 HA SER A 30 -2.981 -5.310 -15.937 1.00 11.25 H new ATOM 0 HB2 SER A 30 -5.735 -5.347 -15.375 1.00 41.24 H new ATOM 0 HB3 SER A 30 -4.437 -5.109 -14.222 1.00 41.24 H new ATOM 0 HG SER A 30 -5.979 -3.380 -14.175 1.00 11.11 H new ATOM 462 N GLY A 31 -3.696 -6.436 -18.019 1.00 71.40 N ATOM 463 CA GLY A 31 -4.163 -7.194 -19.166 1.00 51.41 C ATOM 464 C GLY A 31 -3.419 -6.841 -20.437 1.00 34.33 C ATOM 465 O GLY A 31 -2.202 -6.652 -20.420 1.00 34.44 O ATOM 0 H GLY A 31 -2.764 -6.688 -17.690 1.00 71.40 H new ATOM 0 HA2 GLY A 31 -4.047 -8.259 -18.965 1.00 51.41 H new ATOM 0 HA3 GLY A 31 -5.228 -7.011 -19.309 1.00 51.41 H new ATOM 469 N ASP A 32 -4.149 -6.752 -21.543 1.00 71.32 N ATOM 470 CA ASP A 32 -3.551 -6.420 -22.831 1.00 14.30 C ATOM 471 C ASP A 32 -4.268 -5.237 -23.474 1.00 22.32 C ATOM 472 O ASP A 32 -3.633 -4.288 -23.935 1.00 62.44 O ATOM 473 CB ASP A 32 -3.594 -7.629 -23.766 1.00 13.23 C ATOM 474 CG ASP A 32 -2.758 -8.786 -23.255 1.00 53.23 C ATOM 475 OD1 ASP A 32 -1.550 -8.583 -23.010 1.00 32.02 O ATOM 476 OD2 ASP A 32 -3.312 -9.895 -23.099 1.00 34.32 O ATOM 0 H ASP A 32 -5.157 -6.905 -21.574 1.00 71.32 H new ATOM 0 HA ASP A 32 -2.511 -6.142 -22.659 1.00 14.30 H new ATOM 0 HB2 ASP A 32 -4.627 -7.956 -23.885 1.00 13.23 H new ATOM 0 HB3 ASP A 32 -3.237 -7.334 -24.753 1.00 13.23 H new ATOM 481 N CYS A 33 -5.594 -5.301 -23.503 1.00 22.33 N ATOM 482 CA CYS A 33 -6.400 -4.237 -24.091 1.00 62.14 C ATOM 483 C CYS A 33 -7.801 -4.219 -23.488 1.00 60.24 C ATOM 484 O CYS A 33 -8.323 -5.252 -23.072 1.00 11.33 O ATOM 485 CB CYS A 33 -6.488 -4.416 -25.609 1.00 4.31 C ATOM 486 SG CYS A 33 -7.313 -5.955 -26.129 1.00 1.13 S ATOM 0 H CYS A 33 -6.135 -6.079 -23.126 1.00 22.33 H new ATOM 0 HA CYS A 33 -5.917 -3.285 -23.871 1.00 62.14 H new ATOM 0 HB2 CYS A 33 -7.024 -3.567 -26.034 1.00 4.31 H new ATOM 0 HB3 CYS A 33 -5.481 -4.398 -26.025 1.00 4.31 H new ATOM 492 N GLY A 34 -8.405 -3.035 -23.445 1.00 51.32 N ATOM 493 CA GLY A 34 -9.740 -2.903 -22.891 1.00 2.34 C ATOM 494 C GLY A 34 -9.863 -1.723 -21.948 1.00 53.31 C ATOM 495 O GLY A 34 -9.870 -0.571 -22.381 1.00 65.31 O ATOM 0 H GLY A 34 -7.994 -2.165 -23.784 1.00 51.32 H new ATOM 0 HA2 GLY A 34 -10.458 -2.791 -23.704 1.00 2.34 H new ATOM 0 HA3 GLY A 34 -10.001 -3.818 -22.359 1.00 2.34 H new ATOM 499 N ASN A 35 -9.961 -2.009 -20.653 1.00 73.40 N ATOM 500 CA ASN A 35 -10.086 -0.960 -19.646 1.00 65.34 C ATOM 501 C ASN A 35 -8.737 -0.302 -19.377 1.00 12.14 C ATOM 502 O ASN A 35 -8.144 -0.487 -18.315 1.00 33.44 O ATOM 503 CB ASN A 35 -10.653 -1.538 -18.348 1.00 73.02 C ATOM 504 CG ASN A 35 -11.987 -2.226 -18.555 1.00 44.30 C ATOM 505 OD1 ASN A 35 -12.683 -1.975 -19.540 1.00 54.24 O ATOM 506 ND2 ASN A 35 -12.353 -3.101 -17.624 1.00 31.31 N ATOM 0 H ASN A 35 -9.956 -2.957 -20.277 1.00 73.40 H new ATOM 0 HA ASN A 35 -10.770 -0.202 -20.028 1.00 65.34 H new ATOM 0 HB2 ASN A 35 -9.942 -2.250 -17.929 1.00 73.02 H new ATOM 0 HB3 ASN A 35 -10.770 -0.737 -17.618 1.00 73.02 H new ATOM 0 HD21 ASN A 35 -13.241 -3.595 -17.709 1.00 31.31 H new ATOM 0 HD22 ASN A 35 -11.746 -3.279 -16.824 1.00 31.31 H new ATOM 513 N GLY A 36 -8.257 0.471 -20.348 1.00 42.22 N ATOM 514 CA GLY A 36 -6.982 1.147 -20.196 1.00 2.12 C ATOM 515 C GLY A 36 -7.006 2.188 -19.095 1.00 54.31 C ATOM 516 O GLY A 36 -8.063 2.493 -18.542 1.00 63.02 O ATOM 0 H GLY A 36 -8.729 0.641 -21.236 1.00 42.22 H new ATOM 0 HA2 GLY A 36 -6.208 0.411 -19.979 1.00 2.12 H new ATOM 0 HA3 GLY A 36 -6.713 1.625 -21.138 1.00 2.12 H new ATOM 520 N ILE A 37 -5.837 2.734 -18.774 1.00 42.42 N ATOM 521 CA ILE A 37 -5.728 3.746 -17.730 1.00 21.12 C ATOM 522 C ILE A 37 -5.160 5.048 -18.285 1.00 45.12 C ATOM 523 O ILE A 37 -4.255 5.036 -19.119 1.00 63.01 O ATOM 524 CB ILE A 37 -4.839 3.263 -16.569 1.00 11.12 C ATOM 525 CG1 ILE A 37 -5.685 2.553 -15.511 1.00 54.21 C ATOM 526 CG2 ILE A 37 -4.088 4.436 -15.955 1.00 64.32 C ATOM 527 CD1 ILE A 37 -6.608 1.499 -16.083 1.00 14.35 C ATOM 0 H ILE A 37 -4.953 2.493 -19.222 1.00 42.42 H new ATOM 0 HA ILE A 37 -6.736 3.923 -17.354 1.00 21.12 H new ATOM 0 HB ILE A 37 -4.110 2.553 -16.960 1.00 11.12 H new ATOM 0 HG12 ILE A 37 -5.023 2.087 -14.781 1.00 54.21 H new ATOM 0 HG13 ILE A 37 -6.280 3.293 -14.976 1.00 54.21 H new ATOM 0 HG21 ILE A 37 -3.464 4.080 -15.136 1.00 64.32 H new ATOM 0 HG22 ILE A 37 -3.460 4.903 -16.713 1.00 64.32 H new ATOM 0 HG23 ILE A 37 -4.802 5.167 -15.576 1.00 64.32 H new ATOM 0 HD11 ILE A 37 -7.177 1.037 -15.276 1.00 14.35 H new ATOM 0 HD12 ILE A 37 -7.294 1.962 -16.792 1.00 14.35 H new ATOM 0 HD13 ILE A 37 -6.019 0.737 -16.594 1.00 14.35 H new ATOM 539 N ARG A 38 -5.696 6.168 -17.814 1.00 11.03 N ATOM 540 CA ARG A 38 -5.241 7.480 -18.262 1.00 43.11 C ATOM 541 C ARG A 38 -4.417 8.169 -17.178 1.00 1.03 C ATOM 542 O ARG A 38 -4.844 8.264 -16.028 1.00 51.11 O ATOM 543 CB ARG A 38 -6.437 8.354 -18.643 1.00 15.23 C ATOM 544 CG ARG A 38 -6.203 9.200 -19.884 1.00 40.12 C ATOM 545 CD ARG A 38 -7.469 9.925 -20.311 1.00 33.45 C ATOM 546 NE ARG A 38 -8.610 9.021 -20.412 1.00 4.32 N ATOM 547 CZ ARG A 38 -9.862 9.432 -20.586 1.00 13.23 C ATOM 548 NH1 ARG A 38 -10.130 10.728 -20.679 1.00 62.14 N ATOM 549 NH2 ARG A 38 -10.848 8.548 -20.667 1.00 34.50 N ATOM 0 H ARG A 38 -6.445 6.195 -17.123 1.00 11.03 H new ATOM 0 HA ARG A 38 -4.609 7.339 -19.139 1.00 43.11 H new ATOM 0 HB2 ARG A 38 -7.305 7.715 -18.807 1.00 15.23 H new ATOM 0 HB3 ARG A 38 -6.678 9.010 -17.807 1.00 15.23 H new ATOM 0 HG2 ARG A 38 -5.415 9.927 -19.687 1.00 40.12 H new ATOM 0 HG3 ARG A 38 -5.854 8.565 -20.698 1.00 40.12 H new ATOM 0 HD2 ARG A 38 -7.694 10.714 -19.593 1.00 33.45 H new ATOM 0 HD3 ARG A 38 -7.303 10.408 -21.274 1.00 33.45 H new ATOM 0 HE ARG A 38 -8.437 8.018 -20.345 1.00 4.32 H new ATOM 0 HH11 ARG A 38 -9.375 11.411 -20.617 1.00 62.14 H new ATOM 0 HH12 ARG A 38 -11.091 11.042 -20.813 1.00 62.14 H new ATOM 0 HH21 ARG A 38 -10.646 7.551 -20.596 1.00 34.50 H new ATOM 0 HH22 ARG A 38 -11.808 8.866 -20.801 1.00 34.50 H new ATOM 563 N GLU A 39 -3.237 8.648 -17.555 1.00 54.23 N ATOM 564 CA GLU A 39 -2.353 9.328 -16.614 1.00 65.12 C ATOM 565 C GLU A 39 -2.443 10.842 -16.780 1.00 51.33 C ATOM 566 O GLU A 39 -2.230 11.371 -17.871 1.00 44.10 O ATOM 567 CB GLU A 39 -0.908 8.866 -16.814 1.00 14.41 C ATOM 568 CG GLU A 39 -0.040 9.033 -15.578 1.00 51.53 C ATOM 569 CD GLU A 39 0.294 10.484 -15.289 1.00 24.42 C ATOM 570 OE1 GLU A 39 0.967 11.116 -16.130 1.00 20.42 O ATOM 571 OE2 GLU A 39 -0.120 10.986 -14.223 1.00 74.21 O ATOM 0 H GLU A 39 -2.870 8.579 -18.504 1.00 54.23 H new ATOM 0 HA GLU A 39 -2.672 9.072 -15.604 1.00 65.12 H new ATOM 0 HB2 GLU A 39 -0.908 7.817 -17.109 1.00 14.41 H new ATOM 0 HB3 GLU A 39 -0.466 9.428 -17.637 1.00 14.41 H new ATOM 0 HG2 GLU A 39 -0.554 8.604 -14.718 1.00 51.53 H new ATOM 0 HG3 GLU A 39 0.885 8.471 -15.710 1.00 51.53 H new ATOM 578 N ALA A 40 -2.759 11.533 -15.689 1.00 63.52 N ATOM 579 CA ALA A 40 -2.875 12.986 -15.713 1.00 43.04 C ATOM 580 C ALA A 40 -2.096 13.617 -14.564 1.00 32.40 C ATOM 581 O ALA A 40 -1.936 13.014 -13.503 1.00 24.12 O ATOM 582 CB ALA A 40 -4.338 13.399 -15.652 1.00 0.31 C ATOM 0 H ALA A 40 -2.939 11.110 -14.778 1.00 63.52 H new ATOM 0 HA ALA A 40 -2.446 13.346 -16.648 1.00 43.04 H new ATOM 0 HB1 ALA A 40 -4.410 14.486 -15.671 1.00 0.31 H new ATOM 0 HB2 ALA A 40 -4.869 12.985 -16.509 1.00 0.31 H new ATOM 0 HB3 ALA A 40 -4.785 13.021 -14.732 1.00 0.31 H new ATOM 588 N THR A 41 -1.612 14.836 -14.783 1.00 21.52 N ATOM 589 CA THR A 41 -0.848 15.549 -13.768 1.00 22.43 C ATOM 590 C THR A 41 -1.521 16.865 -13.397 1.00 12.14 C ATOM 591 O THR A 41 -1.669 17.757 -14.234 1.00 61.22 O ATOM 592 CB THR A 41 0.589 15.836 -14.244 1.00 4.01 C ATOM 593 OG1 THR A 41 0.679 15.663 -15.663 1.00 44.33 O ATOM 594 CG2 THR A 41 1.582 14.915 -13.552 1.00 13.23 C ATOM 0 H THR A 41 -1.736 15.350 -15.655 1.00 21.52 H new ATOM 0 HA THR A 41 -0.810 14.904 -12.890 1.00 22.43 H new ATOM 0 HB THR A 41 0.834 16.867 -13.988 1.00 4.01 H new ATOM 0 HG1 THR A 41 1.595 15.849 -15.958 1.00 44.33 H new ATOM 0 HG21 THR A 41 2.590 15.136 -13.904 1.00 13.23 H new ATOM 0 HG22 THR A 41 1.532 15.070 -12.474 1.00 13.23 H new ATOM 0 HG23 THR A 41 1.337 13.878 -13.781 1.00 13.23 H new ATOM 602 N CYS A 42 -1.927 16.982 -12.137 1.00 33.12 N ATOM 603 CA CYS A 42 -2.585 18.191 -11.654 1.00 71.52 C ATOM 604 C CYS A 42 -2.519 18.274 -10.132 1.00 74.11 C ATOM 605 O CYS A 42 -2.705 17.277 -9.436 1.00 33.42 O ATOM 606 CB CYS A 42 -4.044 18.221 -12.114 1.00 73.50 C ATOM 607 SG CYS A 42 -4.496 19.718 -13.050 1.00 42.15 S ATOM 0 H CYS A 42 -1.812 16.254 -11.432 1.00 33.12 H new ATOM 0 HA CYS A 42 -2.062 19.051 -12.071 1.00 71.52 H new ATOM 0 HB2 CYS A 42 -4.237 17.345 -12.734 1.00 73.50 H new ATOM 0 HB3 CYS A 42 -4.691 18.142 -11.241 1.00 73.50 H new ATOM 613 N ASN A 43 -2.253 19.473 -9.622 1.00 65.14 N ATOM 614 CA ASN A 43 -2.162 19.688 -8.183 1.00 43.41 C ATOM 615 C ASN A 43 -0.982 18.921 -7.591 1.00 22.21 C ATOM 616 O ASN A 43 -0.857 18.798 -6.374 1.00 1.21 O ATOM 617 CB ASN A 43 -3.460 19.254 -7.498 1.00 34.52 C ATOM 618 CG ASN A 43 -4.674 19.970 -8.056 1.00 11.04 C ATOM 619 OD1 ASN A 43 -4.610 21.151 -8.398 1.00 41.12 O ATOM 620 ND2 ASN A 43 -5.790 19.257 -8.151 1.00 63.15 N ATOM 0 H ASN A 43 -2.097 20.310 -10.184 1.00 65.14 H new ATOM 0 HA ASN A 43 -2.005 20.753 -8.010 1.00 43.41 H new ATOM 0 HB2 ASN A 43 -3.589 18.178 -7.618 1.00 34.52 H new ATOM 0 HB3 ASN A 43 -3.386 19.449 -6.428 1.00 34.52 H new ATOM 0 HD21 ASN A 43 -6.639 19.686 -8.519 1.00 63.15 H new ATOM 0 HD22 ASN A 43 -5.798 18.281 -7.856 1.00 63.15 H new ATOM 627 N GLU A 44 -0.119 18.409 -8.464 1.00 13.14 N ATOM 628 CA GLU A 44 1.050 17.655 -8.027 1.00 23.44 C ATOM 629 C GLU A 44 0.640 16.305 -7.446 1.00 73.01 C ATOM 630 O GLU A 44 0.603 16.128 -6.229 1.00 52.44 O ATOM 631 CB GLU A 44 1.840 18.452 -6.988 1.00 15.32 C ATOM 632 CG GLU A 44 3.312 18.081 -6.925 1.00 23.10 C ATOM 633 CD GLU A 44 3.578 16.904 -6.008 1.00 2.51 C ATOM 634 OE1 GLU A 44 3.421 15.751 -6.461 1.00 53.14 O ATOM 635 OE2 GLU A 44 3.943 17.135 -4.835 1.00 21.54 O ATOM 0 H GLU A 44 -0.207 18.503 -9.476 1.00 13.14 H new ATOM 0 HA GLU A 44 1.683 17.479 -8.897 1.00 23.44 H new ATOM 0 HB2 GLU A 44 1.751 19.515 -7.214 1.00 15.32 H new ATOM 0 HB3 GLU A 44 1.393 18.296 -6.006 1.00 15.32 H new ATOM 0 HG2 GLU A 44 3.666 17.843 -7.928 1.00 23.10 H new ATOM 0 HG3 GLU A 44 3.885 18.942 -6.581 1.00 23.10 H new ATOM 642 N GLN A 45 0.333 15.357 -8.325 1.00 53.42 N ATOM 643 CA GLN A 45 -0.075 14.023 -7.898 1.00 32.24 C ATOM 644 C GLN A 45 -0.306 13.113 -9.101 1.00 35.45 C ATOM 645 O GLN A 45 -0.402 13.581 -10.237 1.00 41.05 O ATOM 646 CB GLN A 45 -1.346 14.102 -7.052 1.00 20.22 C ATOM 647 CG GLN A 45 -2.384 15.067 -7.603 1.00 1.44 C ATOM 648 CD GLN A 45 -3.805 14.595 -7.365 1.00 71.12 C ATOM 649 OE1 GLN A 45 -4.064 13.395 -7.268 1.00 62.44 O ATOM 650 NE2 GLN A 45 -4.735 15.538 -7.269 1.00 75.42 N ATOM 0 H GLN A 45 0.359 15.487 -9.336 1.00 53.42 H new ATOM 0 HA GLN A 45 0.729 13.600 -7.295 1.00 32.24 H new ATOM 0 HB2 GLN A 45 -1.788 13.108 -6.981 1.00 20.22 H new ATOM 0 HB3 GLN A 45 -1.080 14.406 -6.040 1.00 20.22 H new ATOM 0 HG2 GLN A 45 -2.248 16.044 -7.140 1.00 1.44 H new ATOM 0 HG3 GLN A 45 -2.223 15.196 -8.673 1.00 1.44 H new ATOM 0 HE21 GLN A 45 -4.476 16.521 -7.356 1.00 75.42 H new ATOM 0 HE22 GLN A 45 -5.709 15.280 -7.109 1.00 75.42 H new ATOM 659 N THR A 46 -0.394 11.813 -8.845 1.00 3.00 N ATOM 660 CA THR A 46 -0.612 10.838 -9.905 1.00 64.34 C ATOM 661 C THR A 46 -1.933 10.103 -9.714 1.00 25.21 C ATOM 662 O THR A 46 -2.252 9.655 -8.612 1.00 24.22 O ATOM 663 CB THR A 46 0.531 9.807 -9.966 1.00 15.21 C ATOM 664 OG1 THR A 46 1.758 10.412 -9.544 1.00 74.01 O ATOM 665 CG2 THR A 46 0.690 9.256 -11.375 1.00 43.44 C ATOM 0 H THR A 46 -0.318 11.410 -7.911 1.00 3.00 H new ATOM 0 HA THR A 46 -0.640 11.394 -10.842 1.00 64.34 H new ATOM 0 HB THR A 46 0.283 8.983 -9.297 1.00 15.21 H new ATOM 0 HG1 THR A 46 2.480 9.750 -9.584 1.00 74.01 H new ATOM 0 HG21 THR A 46 1.503 8.530 -11.392 1.00 43.44 H new ATOM 0 HG22 THR A 46 -0.236 8.771 -11.683 1.00 43.44 H new ATOM 0 HG23 THR A 46 0.917 10.072 -12.061 1.00 43.44 H new ATOM 673 N LYS A 47 -2.699 9.981 -10.793 1.00 64.14 N ATOM 674 CA LYS A 47 -3.987 9.298 -10.744 1.00 20.24 C ATOM 675 C LYS A 47 -4.259 8.558 -12.050 1.00 43.21 C ATOM 676 O LYS A 47 -3.724 8.912 -13.100 1.00 70.53 O ATOM 677 CB LYS A 47 -5.110 10.302 -10.472 1.00 65.23 C ATOM 678 CG LYS A 47 -5.148 11.455 -11.459 1.00 52.34 C ATOM 679 CD LYS A 47 -5.974 11.111 -12.687 1.00 70.02 C ATOM 680 CE LYS A 47 -7.171 12.039 -12.832 1.00 52.00 C ATOM 681 NZ LYS A 47 -8.391 11.472 -12.196 1.00 3.14 N ATOM 0 H LYS A 47 -2.450 10.346 -11.712 1.00 64.14 H new ATOM 0 HA LYS A 47 -3.954 8.570 -9.933 1.00 20.24 H new ATOM 0 HB2 LYS A 47 -6.067 9.780 -10.499 1.00 65.23 H new ATOM 0 HB3 LYS A 47 -4.993 10.701 -9.464 1.00 65.23 H new ATOM 0 HG2 LYS A 47 -5.566 12.337 -10.974 1.00 52.34 H new ATOM 0 HG3 LYS A 47 -4.132 11.709 -11.762 1.00 52.34 H new ATOM 0 HD2 LYS A 47 -5.349 11.179 -13.578 1.00 70.02 H new ATOM 0 HD3 LYS A 47 -6.319 10.079 -12.618 1.00 70.02 H new ATOM 0 HE2 LYS A 47 -6.940 13.003 -12.379 1.00 52.00 H new ATOM 0 HE3 LYS A 47 -7.364 12.221 -13.889 1.00 52.00 H new ATOM 0 HZ1 LYS A 47 -9.180 11.499 -12.873 1.00 3.14 H new ATOM 0 HZ2 LYS A 47 -8.210 10.487 -11.914 1.00 3.14 H new ATOM 0 HZ3 LYS A 47 -8.637 12.033 -11.355 1.00 3.14 H new ATOM 695 N LYS A 48 -5.095 7.527 -11.977 1.00 32.40 N ATOM 696 CA LYS A 48 -5.441 6.737 -13.153 1.00 53.25 C ATOM 697 C LYS A 48 -6.948 6.739 -13.385 1.00 62.53 C ATOM 698 O LYS A 48 -7.727 6.444 -12.478 1.00 64.11 O ATOM 699 CB LYS A 48 -4.940 5.300 -12.993 1.00 43.33 C ATOM 700 CG LYS A 48 -5.225 4.706 -11.623 1.00 22.42 C ATOM 701 CD LYS A 48 -5.744 3.282 -11.730 1.00 73.33 C ATOM 702 CE LYS A 48 -7.265 3.239 -11.704 1.00 55.13 C ATOM 703 NZ LYS A 48 -7.788 2.997 -10.331 1.00 23.00 N ATOM 0 H LYS A 48 -5.545 7.219 -11.115 1.00 32.40 H new ATOM 0 HA LYS A 48 -4.957 7.189 -14.019 1.00 53.25 H new ATOM 0 HB2 LYS A 48 -5.405 4.675 -13.755 1.00 43.33 H new ATOM 0 HB3 LYS A 48 -3.865 5.276 -13.174 1.00 43.33 H new ATOM 0 HG2 LYS A 48 -4.315 4.718 -11.023 1.00 22.42 H new ATOM 0 HG3 LYS A 48 -5.958 5.323 -11.103 1.00 22.42 H new ATOM 0 HD2 LYS A 48 -5.382 2.830 -12.654 1.00 73.33 H new ATOM 0 HD3 LYS A 48 -5.348 2.687 -10.907 1.00 73.33 H new ATOM 0 HE2 LYS A 48 -7.662 4.181 -12.083 1.00 55.13 H new ATOM 0 HE3 LYS A 48 -7.618 2.453 -12.371 1.00 55.13 H new ATOM 0 HZ1 LYS A 48 -8.827 2.974 -10.354 1.00 23.00 H new ATOM 0 HZ2 LYS A 48 -7.430 2.086 -9.979 1.00 23.00 H new ATOM 0 HZ3 LYS A 48 -7.472 3.761 -9.700 1.00 23.00 H new ATOM 717 N THR A 49 -7.354 7.073 -14.606 1.00 63.25 N ATOM 718 CA THR A 49 -8.768 7.112 -14.959 1.00 55.42 C ATOM 719 C THR A 49 -9.111 6.033 -15.980 1.00 42.42 C ATOM 720 O THR A 49 -8.398 5.847 -16.966 1.00 54.34 O ATOM 721 CB THR A 49 -9.167 8.486 -15.527 1.00 11.21 C ATOM 722 OG1 THR A 49 -8.712 8.608 -16.879 1.00 12.14 O ATOM 723 CG2 THR A 49 -8.581 9.611 -14.686 1.00 44.31 C ATOM 0 H THR A 49 -6.723 7.321 -15.368 1.00 63.25 H new ATOM 0 HA THR A 49 -9.327 6.930 -14.041 1.00 55.42 H new ATOM 0 HB THR A 49 -10.254 8.563 -15.501 1.00 11.21 H new ATOM 0 HG1 THR A 49 -8.971 9.484 -17.234 1.00 12.14 H new ATOM 0 HG21 THR A 49 -8.877 10.572 -15.107 1.00 44.31 H new ATOM 0 HG22 THR A 49 -8.952 9.533 -13.664 1.00 44.31 H new ATOM 0 HG23 THR A 49 -7.494 9.535 -14.684 1.00 44.31 H new ATOM 731 N LYS A 50 -10.208 5.324 -15.738 1.00 24.14 N ATOM 732 CA LYS A 50 -10.648 4.264 -16.637 1.00 23.35 C ATOM 733 C LYS A 50 -10.721 4.767 -18.075 1.00 25.33 C ATOM 734 O LYS A 50 -11.123 5.903 -18.327 1.00 71.41 O ATOM 735 CB LYS A 50 -12.015 3.732 -16.202 1.00 4.13 C ATOM 736 CG LYS A 50 -11.954 2.369 -15.536 1.00 52.32 C ATOM 737 CD LYS A 50 -12.916 1.387 -16.183 1.00 72.51 C ATOM 738 CE LYS A 50 -12.568 1.148 -17.645 1.00 32.22 C ATOM 739 NZ LYS A 50 -13.509 1.849 -18.562 1.00 11.23 N ATOM 0 H LYS A 50 -10.809 5.464 -14.926 1.00 24.14 H new ATOM 0 HA LYS A 50 -9.919 3.455 -16.589 1.00 23.35 H new ATOM 0 HB2 LYS A 50 -12.470 4.444 -15.513 1.00 4.13 H new ATOM 0 HB3 LYS A 50 -12.666 3.672 -17.074 1.00 4.13 H new ATOM 0 HG2 LYS A 50 -10.938 1.978 -15.598 1.00 52.32 H new ATOM 0 HG3 LYS A 50 -12.193 2.470 -14.477 1.00 52.32 H new ATOM 0 HD2 LYS A 50 -12.890 0.441 -15.642 1.00 72.51 H new ATOM 0 HD3 LYS A 50 -13.934 1.770 -16.108 1.00 72.51 H new ATOM 0 HE2 LYS A 50 -11.551 1.491 -17.837 1.00 32.22 H new ATOM 0 HE3 LYS A 50 -12.588 0.078 -17.853 1.00 32.22 H new ATOM 0 HZ1 LYS A 50 -14.071 1.148 -19.086 1.00 11.23 H new ATOM 0 HZ2 LYS A 50 -14.145 2.458 -18.008 1.00 11.23 H new ATOM 0 HZ3 LYS A 50 -12.970 2.432 -19.234 1.00 11.23 H new ATOM 753 N CYS A 51 -10.332 3.913 -19.016 1.00 51.24 N ATOM 754 CA CYS A 51 -10.354 4.269 -20.430 1.00 74.00 C ATOM 755 C CYS A 51 -10.641 3.045 -21.295 1.00 30.14 C ATOM 756 O CYS A 51 -10.523 1.908 -20.840 1.00 10.21 O ATOM 757 CB CYS A 51 -9.020 4.895 -20.840 1.00 75.15 C ATOM 758 SG CYS A 51 -9.133 6.019 -22.269 1.00 62.42 S ATOM 0 H CYS A 51 -9.997 2.969 -18.825 1.00 51.24 H new ATOM 0 HA CYS A 51 -11.152 4.996 -20.584 1.00 74.00 H new ATOM 0 HB2 CYS A 51 -8.613 5.444 -19.991 1.00 75.15 H new ATOM 0 HB3 CYS A 51 -8.314 4.098 -21.073 1.00 75.15 H new ATOM 764 N LYS A 52 -11.020 3.288 -22.545 1.00 13.20 N ATOM 765 CA LYS A 52 -11.324 2.207 -23.476 1.00 11.01 C ATOM 766 C LYS A 52 -10.482 2.329 -24.743 1.00 4.10 C ATOM 767 O LYS A 52 -10.480 3.370 -25.401 1.00 64.14 O ATOM 768 CB LYS A 52 -12.811 2.220 -23.835 1.00 42.13 C ATOM 769 CG LYS A 52 -13.409 0.832 -23.993 1.00 3.03 C ATOM 770 CD LYS A 52 -13.090 0.239 -25.355 1.00 74.04 C ATOM 771 CE LYS A 52 -13.888 0.915 -26.459 1.00 33.34 C ATOM 772 NZ LYS A 52 -15.133 0.166 -26.782 1.00 63.32 N ATOM 0 H LYS A 52 -11.124 4.224 -22.937 1.00 13.20 H new ATOM 0 HA LYS A 52 -11.083 1.262 -22.990 1.00 11.01 H new ATOM 0 HB2 LYS A 52 -13.359 2.757 -23.061 1.00 42.13 H new ATOM 0 HB3 LYS A 52 -12.947 2.774 -24.764 1.00 42.13 H new ATOM 0 HG2 LYS A 52 -13.024 0.178 -23.211 1.00 3.03 H new ATOM 0 HG3 LYS A 52 -14.490 0.883 -23.862 1.00 3.03 H new ATOM 0 HD2 LYS A 52 -12.024 0.345 -25.558 1.00 74.04 H new ATOM 0 HD3 LYS A 52 -13.309 -0.829 -25.348 1.00 74.04 H new ATOM 0 HE2 LYS A 52 -14.144 1.929 -26.153 1.00 33.34 H new ATOM 0 HE3 LYS A 52 -13.271 0.998 -27.354 1.00 33.34 H new ATOM 0 HZ1 LYS A 52 -15.648 0.659 -27.539 1.00 63.32 H new ATOM 0 HZ2 LYS A 52 -14.888 -0.794 -27.098 1.00 63.32 H new ATOM 0 HZ3 LYS A 52 -15.733 0.109 -25.935 1.00 63.32 H new ATOM 786 N VAL A 53 -9.771 1.257 -25.081 1.00 12.52 N ATOM 787 CA VAL A 53 -8.928 1.244 -26.270 1.00 62.14 C ATOM 788 C VAL A 53 -9.590 0.467 -27.402 1.00 71.30 C ATOM 789 O VAL A 53 -10.383 -0.449 -27.181 1.00 12.02 O ATOM 790 CB VAL A 53 -7.549 0.624 -25.974 1.00 65.41 C ATOM 791 CG1 VAL A 53 -6.958 1.218 -24.705 1.00 34.45 C ATOM 792 CG2 VAL A 53 -7.659 -0.889 -25.863 1.00 25.00 C ATOM 0 H VAL A 53 -9.763 0.387 -24.548 1.00 12.52 H new ATOM 0 HA VAL A 53 -8.793 2.282 -26.575 1.00 62.14 H new ATOM 0 HB VAL A 53 -6.879 0.857 -26.802 1.00 65.41 H new ATOM 0 HG11 VAL A 53 -5.984 0.768 -24.512 1.00 34.45 H new ATOM 0 HG12 VAL A 53 -6.842 2.295 -24.827 1.00 34.45 H new ATOM 0 HG13 VAL A 53 -7.623 1.017 -23.865 1.00 34.45 H new ATOM 0 HG21 VAL A 53 -6.676 -1.311 -25.654 1.00 25.00 H new ATOM 0 HG22 VAL A 53 -8.344 -1.146 -25.055 1.00 25.00 H new ATOM 0 HG23 VAL A 53 -8.036 -1.296 -26.801 1.00 25.00 H new ATOM 802 N PRO A 54 -9.258 0.838 -28.648 1.00 73.32 N ATOM 803 CA PRO A 54 -9.807 0.188 -29.841 1.00 0.00 C ATOM 804 C PRO A 54 -9.284 -1.233 -30.020 1.00 10.12 C ATOM 805 O PRO A 54 -8.407 -1.483 -30.847 1.00 50.25 O ATOM 806 CB PRO A 54 -9.327 1.083 -30.986 1.00 73.03 C ATOM 807 CG PRO A 54 -8.095 1.739 -30.462 1.00 62.43 C ATOM 808 CD PRO A 54 -8.319 1.920 -28.987 1.00 54.51 C ATOM 0 HA PRO A 54 -10.891 0.087 -29.787 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.115 0.500 -31.882 1.00 73.03 H new ATOM 0 HB3 PRO A 54 -10.083 1.820 -31.257 1.00 73.03 H new ATOM 0 HG2 PRO A 54 -7.215 1.124 -30.651 1.00 62.43 H new ATOM 0 HG3 PRO A 54 -7.925 2.698 -30.952 1.00 62.43 H new ATOM 0 HD2 PRO A 54 -7.388 1.835 -28.426 1.00 54.51 H new ATOM 0 HD3 PRO A 54 -8.738 2.901 -28.762 1.00 54.51 H new ATOM 816 N CYS A 55 -9.830 -2.161 -29.242 1.00 51.32 N ATOM 817 CA CYS A 55 -9.418 -3.558 -29.313 1.00 24.54 C ATOM 818 C CYS A 55 -10.536 -4.425 -29.887 1.00 0.41 C ATOM 819 O CYS A 55 -11.708 -4.051 -29.848 1.00 51.04 O ATOM 820 CB CYS A 55 -9.024 -4.068 -27.927 1.00 12.44 C ATOM 821 SG CYS A 55 -8.030 -5.594 -27.950 1.00 74.30 S ATOM 0 H CYS A 55 -10.559 -1.971 -28.555 1.00 51.32 H new ATOM 0 HA CYS A 55 -8.554 -3.622 -29.974 1.00 24.54 H new ATOM 0 HB2 CYS A 55 -8.462 -3.289 -27.411 1.00 12.44 H new ATOM 0 HB3 CYS A 55 -9.929 -4.246 -27.346 1.00 12.44 H new ATOM 827 N ASN A 56 -10.165 -5.585 -30.419 1.00 72.04 N ATOM 828 CA ASN A 56 -11.135 -6.506 -31.000 1.00 34.52 C ATOM 829 C ASN A 56 -11.501 -7.607 -30.010 1.00 30.41 C ATOM 830 O ASN A 56 -11.017 -8.734 -30.115 1.00 43.34 O ATOM 831 CB ASN A 56 -10.577 -7.122 -32.284 1.00 62.32 C ATOM 832 CG ASN A 56 -11.657 -7.768 -33.131 1.00 64.33 C ATOM 833 OD1 ASN A 56 -12.835 -7.751 -32.775 1.00 62.04 O ATOM 834 ND2 ASN A 56 -11.258 -8.344 -34.260 1.00 61.23 N ATOM 0 H ASN A 56 -9.199 -5.910 -30.460 1.00 72.04 H new ATOM 0 HA ASN A 56 -12.037 -5.943 -31.238 1.00 34.52 H new ATOM 0 HB2 ASN A 56 -10.076 -6.349 -32.867 1.00 62.32 H new ATOM 0 HB3 ASN A 56 -9.824 -7.868 -32.029 1.00 62.32 H new ATOM 0 HD21 ASN A 56 -11.939 -8.796 -34.870 1.00 61.23 H new ATOM 0 HD22 ASN A 56 -10.271 -8.334 -34.516 1.00 61.23 H new ATOM 941 N GLY A 62 -4.156 -15.001 -33.436 1.00 4.14 N ATOM 942 CA GLY A 62 -3.203 -13.947 -33.143 1.00 33.41 C ATOM 943 C GLY A 62 -1.852 -14.489 -32.722 1.00 74.43 C ATOM 944 O GLY A 62 -1.674 -15.699 -32.590 1.00 4.21 O ATOM 0 HA2 GLY A 62 -3.080 -13.317 -34.024 1.00 33.41 H new ATOM 0 HA3 GLY A 62 -3.600 -13.312 -32.350 1.00 33.41 H new ATOM 948 N ALA A 63 -0.894 -13.591 -32.513 1.00 32.03 N ATOM 949 CA ALA A 63 0.448 -13.986 -32.105 1.00 52.00 C ATOM 950 C ALA A 63 0.423 -14.711 -30.764 1.00 34.10 C ATOM 951 O ALA A 63 1.304 -15.520 -30.468 1.00 21.14 O ATOM 952 CB ALA A 63 1.357 -12.768 -32.032 1.00 73.03 C ATOM 0 H ALA A 63 -1.023 -12.585 -32.620 1.00 32.03 H new ATOM 0 HA ALA A 63 0.841 -14.675 -32.853 1.00 52.00 H new ATOM 0 HB1 ALA A 63 2.356 -13.078 -31.726 1.00 73.03 H new ATOM 0 HB2 ALA A 63 1.408 -12.293 -33.012 1.00 73.03 H new ATOM 0 HB3 ALA A 63 0.958 -12.060 -31.306 1.00 73.03 H new ATOM 958 N ASP A 64 -0.590 -14.416 -29.956 1.00 51.14 N ATOM 959 CA ASP A 64 -0.730 -15.041 -28.646 1.00 75.45 C ATOM 960 C ASP A 64 0.568 -14.935 -27.852 1.00 33.20 C ATOM 961 O ASP A 64 1.044 -15.919 -27.286 1.00 54.35 O ATOM 962 CB ASP A 64 -1.131 -16.510 -28.797 1.00 32.43 C ATOM 963 CG ASP A 64 -1.941 -17.013 -27.619 1.00 32.23 C ATOM 964 OD1 ASP A 64 -1.993 -16.306 -26.590 1.00 21.02 O ATOM 965 OD2 ASP A 64 -2.523 -18.113 -27.725 1.00 52.21 O ATOM 0 H ASP A 64 -1.326 -13.748 -30.185 1.00 51.14 H new ATOM 0 HA ASP A 64 -1.513 -14.513 -28.101 1.00 75.45 H new ATOM 0 HB2 ASP A 64 -1.711 -16.633 -29.712 1.00 32.43 H new ATOM 0 HB3 ASP A 64 -0.234 -17.119 -28.904 1.00 32.43 H new ATOM 970 N CYS A 65 1.138 -13.735 -27.816 1.00 61.41 N ATOM 971 CA CYS A 65 2.382 -13.499 -27.093 1.00 32.14 C ATOM 972 C CYS A 65 2.162 -12.536 -25.931 1.00 12.15 C ATOM 973 O CYS A 65 1.378 -11.590 -26.033 1.00 52.41 O ATOM 974 CB CYS A 65 3.448 -12.940 -28.038 1.00 24.43 C ATOM 975 SG CYS A 65 3.927 -14.082 -29.376 1.00 13.21 S ATOM 0 H CYS A 65 0.758 -12.910 -28.280 1.00 61.41 H new ATOM 0 HA CYS A 65 2.726 -14.452 -26.692 1.00 32.14 H new ATOM 0 HB2 CYS A 65 3.078 -12.015 -28.479 1.00 24.43 H new ATOM 0 HB3 CYS A 65 4.335 -12.684 -27.458 1.00 24.43 H new ATOM 981 N LYS A 66 2.858 -12.781 -24.826 1.00 31.12 N ATOM 982 CA LYS A 66 2.741 -11.935 -23.644 1.00 22.15 C ATOM 983 C LYS A 66 3.944 -11.006 -23.519 1.00 0.44 C ATOM 984 O LYS A 66 5.080 -11.461 -23.387 1.00 53.11 O ATOM 985 CB LYS A 66 2.615 -12.797 -22.386 1.00 34.10 C ATOM 986 CG LYS A 66 2.018 -12.059 -21.200 1.00 22.41 C ATOM 987 CD LYS A 66 2.906 -12.166 -19.972 1.00 51.32 C ATOM 988 CE LYS A 66 2.121 -11.912 -18.694 1.00 53.34 C ATOM 989 NZ LYS A 66 2.375 -10.550 -18.149 1.00 20.55 N ATOM 0 H LYS A 66 3.510 -13.559 -24.724 1.00 31.12 H new ATOM 0 HA LYS A 66 1.844 -11.326 -23.751 1.00 22.15 H new ATOM 0 HB2 LYS A 66 1.996 -13.666 -22.611 1.00 34.10 H new ATOM 0 HB3 LYS A 66 3.601 -13.171 -22.112 1.00 34.10 H new ATOM 0 HG2 LYS A 66 1.876 -11.009 -21.457 1.00 22.41 H new ATOM 0 HG3 LYS A 66 1.033 -12.468 -20.974 1.00 22.41 H new ATOM 0 HD2 LYS A 66 3.357 -13.158 -19.933 1.00 51.32 H new ATOM 0 HD3 LYS A 66 3.722 -11.448 -20.048 1.00 51.32 H new ATOM 0 HE2 LYS A 66 1.056 -12.031 -18.892 1.00 53.34 H new ATOM 0 HE3 LYS A 66 2.392 -12.658 -17.947 1.00 53.34 H new ATOM 0 HZ1 LYS A 66 1.822 -10.416 -17.278 1.00 20.55 H new ATOM 0 HZ2 LYS A 66 3.387 -10.445 -17.936 1.00 20.55 H new ATOM 0 HZ3 LYS A 66 2.093 -9.837 -18.852 1.00 20.55 H new ATOM 1003 N TYR A 67 3.687 -9.704 -23.560 1.00 4.44 N ATOM 1004 CA TYR A 67 4.750 -8.711 -23.451 1.00 4.22 C ATOM 1005 C TYR A 67 4.687 -7.990 -22.108 1.00 24.35 C ATOM 1006 O TYR A 67 3.614 -7.828 -21.526 1.00 73.11 O ATOM 1007 CB TYR A 67 4.646 -7.697 -24.592 1.00 51.03 C ATOM 1008 CG TYR A 67 5.001 -8.270 -25.945 1.00 72.33 C ATOM 1009 CD1 TYR A 67 6.328 -8.461 -26.314 1.00 41.44 C ATOM 1010 CD2 TYR A 67 4.012 -8.619 -26.856 1.00 41.50 C ATOM 1011 CE1 TYR A 67 6.657 -8.985 -27.549 1.00 31.25 C ATOM 1012 CE2 TYR A 67 4.332 -9.144 -28.093 1.00 5.52 C ATOM 1013 CZ TYR A 67 5.656 -9.325 -28.435 1.00 10.14 C ATOM 1014 OH TYR A 67 5.978 -9.845 -29.667 1.00 53.13 O ATOM 0 H TYR A 67 2.752 -9.311 -23.668 1.00 4.44 H new ATOM 0 HA TYR A 67 5.706 -9.230 -23.519 1.00 4.22 H new ATOM 0 HB2 TYR A 67 3.629 -7.306 -24.628 1.00 51.03 H new ATOM 0 HB3 TYR A 67 5.304 -6.855 -24.379 1.00 51.03 H new ATOM 0 HD1 TYR A 67 7.115 -8.195 -25.623 1.00 41.44 H new ATOM 0 HD2 TYR A 67 2.974 -8.477 -26.592 1.00 41.50 H new ATOM 0 HE1 TYR A 67 7.693 -9.128 -27.820 1.00 31.25 H new ATOM 0 HE2 TYR A 67 3.550 -9.411 -28.788 1.00 5.52 H new ATOM 0 HH TYR A 67 5.709 -10.787 -29.705 1.00 53.13 H new ATOM 1024 N LYS A 68 5.845 -7.559 -21.621 1.00 71.33 N ATOM 1025 CA LYS A 68 5.925 -6.853 -20.347 1.00 73.41 C ATOM 1026 C LYS A 68 6.566 -5.480 -20.525 1.00 64.11 C ATOM 1027 O LYS A 68 7.765 -5.373 -20.785 1.00 60.11 O ATOM 1028 CB LYS A 68 6.727 -7.675 -19.335 1.00 61.41 C ATOM 1029 CG LYS A 68 6.119 -7.686 -17.943 1.00 5.14 C ATOM 1030 CD LYS A 68 6.262 -6.335 -17.262 1.00 31.20 C ATOM 1031 CE LYS A 68 6.041 -6.442 -15.760 1.00 33.30 C ATOM 1032 NZ LYS A 68 5.058 -5.437 -15.271 1.00 22.14 N ATOM 0 H LYS A 68 6.742 -7.686 -22.089 1.00 71.33 H new ATOM 0 HA LYS A 68 4.911 -6.715 -19.972 1.00 73.41 H new ATOM 0 HB2 LYS A 68 6.808 -8.701 -19.695 1.00 61.41 H new ATOM 0 HB3 LYS A 68 7.740 -7.277 -19.277 1.00 61.41 H new ATOM 0 HG2 LYS A 68 5.064 -7.952 -18.008 1.00 5.14 H new ATOM 0 HG3 LYS A 68 6.605 -8.452 -17.339 1.00 5.14 H new ATOM 0 HD2 LYS A 68 7.256 -5.931 -17.457 1.00 31.20 H new ATOM 0 HD3 LYS A 68 5.544 -5.634 -17.688 1.00 31.20 H new ATOM 0 HE2 LYS A 68 5.688 -7.444 -15.515 1.00 33.30 H new ATOM 0 HE3 LYS A 68 6.990 -6.303 -15.243 1.00 33.30 H new ATOM 0 HZ1 LYS A 68 4.935 -5.543 -14.244 1.00 22.14 H new ATOM 0 HZ2 LYS A 68 5.406 -4.480 -15.481 1.00 22.14 H new ATOM 0 HZ3 LYS A 68 4.145 -5.585 -15.746 1.00 22.14 H new ATOM 1046 N PHE A 69 5.760 -4.433 -20.383 1.00 70.14 N ATOM 1047 CA PHE A 69 6.250 -3.067 -20.528 1.00 23.23 C ATOM 1048 C PHE A 69 6.696 -2.504 -19.182 1.00 72.13 C ATOM 1049 O PHE A 69 6.259 -2.964 -18.128 1.00 44.43 O ATOM 1050 CB PHE A 69 5.163 -2.175 -21.131 1.00 62.44 C ATOM 1051 CG PHE A 69 4.913 -2.438 -22.589 1.00 20.33 C ATOM 1052 CD1 PHE A 69 5.907 -2.215 -23.528 1.00 12.45 C ATOM 1053 CD2 PHE A 69 3.684 -2.910 -23.020 1.00 33.14 C ATOM 1054 CE1 PHE A 69 5.681 -2.455 -24.870 1.00 44.21 C ATOM 1055 CE2 PHE A 69 3.451 -3.153 -24.361 1.00 41.34 C ATOM 1056 CZ PHE A 69 4.450 -2.925 -25.286 1.00 21.30 C ATOM 0 H PHE A 69 4.765 -4.504 -20.168 1.00 70.14 H new ATOM 0 HA PHE A 69 7.110 -3.085 -21.198 1.00 23.23 H new ATOM 0 HB2 PHE A 69 4.235 -2.323 -20.579 1.00 62.44 H new ATOM 0 HB3 PHE A 69 5.448 -1.131 -21.002 1.00 62.44 H new ATOM 0 HD1 PHE A 69 6.871 -1.849 -23.207 1.00 12.45 H new ATOM 0 HD2 PHE A 69 2.899 -3.090 -22.300 1.00 33.14 H new ATOM 0 HE1 PHE A 69 6.464 -2.276 -25.592 1.00 44.21 H new ATOM 0 HE2 PHE A 69 2.488 -3.521 -24.684 1.00 41.34 H new ATOM 0 HZ PHE A 69 4.270 -3.114 -26.334 1.00 21.30 H new ATOM 1066 N GLY A 70 7.571 -1.504 -19.225 1.00 61.45 N ATOM 1067 CA GLY A 70 8.063 -0.894 -18.004 1.00 63.34 C ATOM 1068 C GLY A 70 7.614 0.545 -17.853 1.00 31.34 C ATOM 1069 O GLY A 70 6.963 0.900 -16.870 1.00 45.12 O ATOM 0 H GLY A 70 7.948 -1.105 -20.085 1.00 61.45 H new ATOM 0 HA2 GLY A 70 7.715 -1.472 -17.147 1.00 63.34 H new ATOM 0 HA3 GLY A 70 9.152 -0.934 -17.995 1.00 63.34 H new ATOM 1073 N ARG A 71 7.964 1.378 -18.828 1.00 34.14 N ATOM 1074 CA ARG A 71 7.595 2.788 -18.798 1.00 11.41 C ATOM 1075 C ARG A 71 8.061 3.500 -20.064 1.00 61.31 C ATOM 1076 O ARG A 71 8.945 3.014 -20.771 1.00 35.04 O ATOM 1077 CB ARG A 71 8.197 3.468 -17.567 1.00 53.20 C ATOM 1078 CG ARG A 71 9.675 3.172 -17.370 1.00 73.31 C ATOM 1079 CD ARG A 71 9.931 2.468 -16.047 1.00 62.01 C ATOM 1080 NE ARG A 71 10.018 3.410 -14.934 1.00 51.23 N ATOM 1081 CZ ARG A 71 10.206 3.040 -13.672 1.00 70.15 C ATOM 1082 NH1 ARG A 71 10.327 1.756 -13.365 1.00 1.02 N ATOM 1083 NH2 ARG A 71 10.276 3.956 -12.714 1.00 3.42 N ATOM 0 H ARG A 71 8.503 1.100 -19.648 1.00 34.14 H new ATOM 0 HA ARG A 71 6.508 2.852 -18.746 1.00 11.41 H new ATOM 0 HB2 ARG A 71 8.059 4.546 -17.654 1.00 53.20 H new ATOM 0 HB3 ARG A 71 7.649 3.147 -16.681 1.00 53.20 H new ATOM 0 HG2 ARG A 71 10.035 2.550 -18.190 1.00 73.31 H new ATOM 0 HG3 ARG A 71 10.241 4.103 -17.404 1.00 73.31 H new ATOM 0 HD2 ARG A 71 9.130 1.754 -15.856 1.00 62.01 H new ATOM 0 HD3 ARG A 71 10.858 1.898 -16.113 1.00 62.01 H new ATOM 0 HE ARG A 71 9.930 4.406 -15.137 1.00 51.23 H new ATOM 0 HH11 ARG A 71 10.276 1.049 -14.099 1.00 1.02 H new ATOM 0 HH12 ARG A 71 10.471 1.475 -12.395 1.00 1.02 H new ATOM 0 HH21 ARG A 71 10.185 4.945 -12.946 1.00 3.42 H new ATOM 0 HH22 ARG A 71 10.420 3.671 -11.745 1.00 3.42 H new ATOM 1097 N TRP A 72 7.460 4.650 -20.345 1.00 60.11 N ATOM 1098 CA TRP A 72 7.813 5.428 -21.528 1.00 13.22 C ATOM 1099 C TRP A 72 8.979 6.365 -21.234 1.00 72.53 C ATOM 1100 O TRP A 72 9.419 7.116 -22.105 1.00 41.05 O ATOM 1101 CB TRP A 72 6.606 6.232 -22.014 1.00 12.44 C ATOM 1102 CG TRP A 72 5.578 5.397 -22.713 1.00 20.55 C ATOM 1103 CD1 TRP A 72 4.308 5.132 -22.287 1.00 21.33 C ATOM 1104 CD2 TRP A 72 5.734 4.715 -23.963 1.00 12.31 C ATOM 1105 NE1 TRP A 72 3.665 4.328 -23.196 1.00 64.52 N ATOM 1106 CE2 TRP A 72 4.518 4.058 -24.234 1.00 45.30 C ATOM 1107 CE3 TRP A 72 6.782 4.597 -24.880 1.00 13.00 C ATOM 1108 CZ2 TRP A 72 4.324 3.294 -25.382 1.00 34.41 C ATOM 1109 CZ3 TRP A 72 6.589 3.840 -26.019 1.00 24.53 C ATOM 1110 CH2 TRP A 72 5.367 3.197 -26.263 1.00 43.52 C ATOM 0 H TRP A 72 6.726 5.065 -19.771 1.00 60.11 H new ATOM 0 HA TRP A 72 8.117 4.734 -22.312 1.00 13.22 H new ATOM 0 HB2 TRP A 72 6.142 6.728 -21.161 1.00 12.44 H new ATOM 0 HB3 TRP A 72 6.949 7.015 -22.691 1.00 12.44 H new ATOM 0 HD1 TRP A 72 3.873 5.501 -21.370 1.00 21.33 H new ATOM 0 HE1 TRP A 72 2.707 3.987 -23.112 1.00 64.52 H new ATOM 0 HE3 TRP A 72 7.726 5.089 -24.701 1.00 13.00 H new ATOM 0 HZ2 TRP A 72 3.384 2.796 -25.570 1.00 34.41 H new ATOM 0 HZ3 TRP A 72 7.393 3.742 -26.734 1.00 24.53 H new ATOM 0 HH2 TRP A 72 5.246 2.614 -27.164 1.00 43.52 H new ATOM 1121 N ALA A 73 9.477 6.316 -20.003 1.00 74.21 N ATOM 1122 CA ALA A 73 10.595 7.160 -19.596 1.00 64.12 C ATOM 1123 C ALA A 73 10.250 8.637 -19.748 1.00 35.52 C ATOM 1124 O ALA A 73 9.137 8.987 -20.138 1.00 73.41 O ATOM 1125 CB ALA A 73 11.835 6.819 -20.408 1.00 73.12 C ATOM 0 H ALA A 73 9.124 5.701 -19.270 1.00 74.21 H new ATOM 0 HA ALA A 73 10.800 6.968 -18.543 1.00 64.12 H new ATOM 0 HB1 ALA A 73 12.662 7.456 -20.094 1.00 73.12 H new ATOM 0 HB2 ALA A 73 12.100 5.774 -20.246 1.00 73.12 H new ATOM 0 HB3 ALA A 73 11.633 6.982 -21.467 1.00 73.12 H new ATOM 1131 N GLU A 74 11.213 9.500 -19.436 1.00 51.15 N ATOM 1132 CA GLU A 74 11.010 10.940 -19.537 1.00 11.52 C ATOM 1133 C GLU A 74 10.856 11.368 -20.994 1.00 41.24 C ATOM 1134 O GLU A 74 11.006 10.557 -21.909 1.00 23.25 O ATOM 1135 CB GLU A 74 12.180 11.689 -18.895 1.00 44.22 C ATOM 1136 CG GLU A 74 12.438 11.290 -17.451 1.00 42.13 C ATOM 1137 CD GLU A 74 11.402 11.849 -16.496 1.00 32.12 C ATOM 1138 OE1 GLU A 74 11.439 13.068 -16.229 1.00 32.53 O ATOM 1139 OE2 GLU A 74 10.555 11.068 -16.016 1.00 3.40 O ATOM 0 H GLU A 74 12.140 9.226 -19.112 1.00 51.15 H new ATOM 0 HA GLU A 74 10.092 11.189 -19.005 1.00 11.52 H new ATOM 0 HB2 GLU A 74 13.082 11.508 -19.480 1.00 44.22 H new ATOM 0 HB3 GLU A 74 11.982 12.760 -18.938 1.00 44.22 H new ATOM 0 HG2 GLU A 74 12.447 10.203 -17.375 1.00 42.13 H new ATOM 0 HG3 GLU A 74 13.427 11.639 -17.153 1.00 42.13 H new ATOM 1146 N CYS A 75 10.558 12.645 -21.200 1.00 25.33 N ATOM 1147 CA CYS A 75 10.383 13.182 -22.545 1.00 34.21 C ATOM 1148 C CYS A 75 11.664 13.851 -23.034 1.00 73.23 C ATOM 1149 O CYS A 75 12.568 14.136 -22.249 1.00 4.33 O ATOM 1150 CB CYS A 75 9.230 14.187 -22.569 1.00 62.23 C ATOM 1151 SG CYS A 75 8.374 14.297 -24.174 1.00 20.24 S ATOM 0 H CYS A 75 10.432 13.328 -20.453 1.00 25.33 H new ATOM 0 HA CYS A 75 10.148 12.353 -23.213 1.00 34.21 H new ATOM 0 HB2 CYS A 75 8.507 13.912 -21.801 1.00 62.23 H new ATOM 0 HB3 CYS A 75 9.615 15.172 -22.306 1.00 62.23 H new ATOM 1157 N ASP A 76 11.735 14.097 -24.337 1.00 34.44 N ATOM 1158 CA ASP A 76 12.905 14.734 -24.933 1.00 63.33 C ATOM 1159 C ASP A 76 12.647 16.216 -25.187 1.00 72.13 C ATOM 1160 O ASP A 76 11.584 16.598 -25.677 1.00 65.32 O ATOM 1161 CB ASP A 76 13.281 14.037 -26.242 1.00 22.21 C ATOM 1162 CG ASP A 76 14.470 13.110 -26.084 1.00 0.34 C ATOM 1163 OD1 ASP A 76 14.395 12.185 -25.248 1.00 4.13 O ATOM 1164 OD2 ASP A 76 15.477 13.310 -26.796 1.00 44.54 O ATOM 0 H ASP A 76 10.997 13.865 -25.002 1.00 34.44 H new ATOM 0 HA ASP A 76 13.734 14.643 -24.231 1.00 63.33 H new ATOM 0 HB2 ASP A 76 12.426 13.467 -26.605 1.00 22.21 H new ATOM 0 HB3 ASP A 76 13.508 14.789 -26.998 1.00 22.21 H new ATOM 1169 N THR A 77 13.628 17.048 -24.850 1.00 24.21 N ATOM 1170 CA THR A 77 13.507 18.488 -25.040 1.00 65.25 C ATOM 1171 C THR A 77 13.573 18.856 -26.518 1.00 52.35 C ATOM 1172 O THR A 77 13.013 19.866 -26.943 1.00 20.15 O ATOM 1173 CB THR A 77 14.612 19.249 -24.283 1.00 42.03 C ATOM 1174 OG1 THR A 77 15.683 18.357 -23.953 1.00 1.22 O ATOM 1175 CG2 THR A 77 14.062 19.881 -23.014 1.00 11.54 C ATOM 0 H THR A 77 14.515 16.749 -24.444 1.00 24.21 H new ATOM 0 HA THR A 77 12.536 18.779 -24.640 1.00 65.25 H new ATOM 0 HB THR A 77 14.986 20.041 -24.931 1.00 42.03 H new ATOM 0 HG1 THR A 77 16.382 18.849 -23.474 1.00 1.22 H new ATOM 0 HG21 THR A 77 14.861 20.413 -22.497 1.00 11.54 H new ATOM 0 HG22 THR A 77 13.267 20.581 -23.271 1.00 11.54 H new ATOM 0 HG23 THR A 77 13.663 19.103 -22.363 1.00 11.54 H new ATOM 1183 N THR A 78 14.261 18.028 -27.298 1.00 32.23 N ATOM 1184 CA THR A 78 14.401 18.266 -28.729 1.00 31.32 C ATOM 1185 C THR A 78 13.394 17.444 -29.525 1.00 3.42 C ATOM 1186 O THR A 78 12.380 17.966 -29.991 1.00 43.00 O ATOM 1187 CB THR A 78 15.822 17.930 -29.219 1.00 55.32 C ATOM 1188 OG1 THR A 78 16.499 17.129 -28.244 1.00 12.33 O ATOM 1189 CG2 THR A 78 16.619 19.199 -29.482 1.00 33.05 C ATOM 0 H THR A 78 14.730 17.187 -26.962 1.00 32.23 H new ATOM 0 HA THR A 78 14.210 19.327 -28.892 1.00 31.32 H new ATOM 0 HB THR A 78 15.738 17.373 -30.152 1.00 55.32 H new ATOM 0 HG1 THR A 78 17.401 16.918 -28.563 1.00 12.33 H new ATOM 0 HG21 THR A 78 17.619 18.936 -29.827 1.00 33.05 H new ATOM 0 HG22 THR A 78 16.116 19.793 -30.245 1.00 33.05 H new ATOM 0 HG23 THR A 78 16.694 19.779 -28.562 1.00 33.05 H new ATOM 1197 N THR A 79 13.678 16.155 -29.677 1.00 40.34 N ATOM 1198 CA THR A 79 12.797 15.260 -30.416 1.00 64.51 C ATOM 1199 C THR A 79 11.357 15.383 -29.933 1.00 32.11 C ATOM 1200 O THR A 79 10.430 15.494 -30.735 1.00 54.12 O ATOM 1201 CB THR A 79 13.248 13.793 -30.285 1.00 44.31 C ATOM 1202 OG1 THR A 79 14.671 13.703 -30.417 1.00 5.15 O ATOM 1203 CG2 THR A 79 12.579 12.924 -31.339 1.00 20.43 C ATOM 0 H THR A 79 14.512 15.707 -29.298 1.00 40.34 H new ATOM 0 HA THR A 79 12.852 15.557 -31.463 1.00 64.51 H new ATOM 0 HB THR A 79 12.952 13.433 -29.300 1.00 44.31 H new ATOM 0 HG1 THR A 79 14.949 12.767 -30.331 1.00 5.15 H new ATOM 0 HG21 THR A 79 12.913 11.893 -31.226 1.00 20.43 H new ATOM 0 HG22 THR A 79 11.497 12.970 -31.215 1.00 20.43 H new ATOM 0 HG23 THR A 79 12.847 13.285 -32.332 1.00 20.43 H new ATOM 1211 N GLY A 80 11.175 15.362 -28.617 1.00 11.45 N ATOM 1212 CA GLY A 80 9.844 15.473 -28.049 1.00 41.13 C ATOM 1213 C GLY A 80 9.161 14.128 -27.906 1.00 52.33 C ATOM 1214 O GLY A 80 7.932 14.043 -27.904 1.00 74.45 O ATOM 0 H GLY A 80 11.926 15.270 -27.933 1.00 11.45 H new ATOM 0 HA2 GLY A 80 9.908 15.950 -27.071 1.00 41.13 H new ATOM 0 HA3 GLY A 80 9.236 16.121 -28.680 1.00 41.13 H new ATOM 1218 N THR A 81 9.959 13.071 -27.785 1.00 4.10 N ATOM 1219 CA THR A 81 9.424 11.723 -27.644 1.00 44.45 C ATOM 1220 C THR A 81 10.387 10.827 -26.874 1.00 55.33 C ATOM 1221 O THR A 81 11.512 11.225 -26.571 1.00 14.34 O ATOM 1222 CB THR A 81 9.135 11.086 -29.016 1.00 5.53 C ATOM 1223 OG1 THR A 81 10.173 10.161 -29.356 1.00 32.30 O ATOM 1224 CG2 THR A 81 9.023 12.152 -30.094 1.00 72.13 C ATOM 0 H THR A 81 10.978 13.123 -27.782 1.00 4.10 H new ATOM 0 HA THR A 81 8.490 11.811 -27.089 1.00 44.45 H new ATOM 0 HB THR A 81 8.185 10.555 -28.953 1.00 5.53 H new ATOM 0 HG1 THR A 81 9.980 9.760 -30.229 1.00 32.30 H new ATOM 0 HG21 THR A 81 8.819 11.678 -31.054 1.00 72.13 H new ATOM 0 HG22 THR A 81 8.211 12.836 -29.847 1.00 72.13 H new ATOM 0 HG23 THR A 81 9.959 12.707 -30.155 1.00 72.13 H new ATOM 1232 N ARG A 82 9.941 9.615 -26.560 1.00 62.20 N ATOM 1233 CA ARG A 82 10.764 8.663 -25.825 1.00 73.43 C ATOM 1234 C ARG A 82 10.440 7.230 -26.239 1.00 33.51 C ATOM 1235 O ARG A 82 9.342 6.944 -26.716 1.00 10.14 O ATOM 1236 CB ARG A 82 10.554 8.830 -24.319 1.00 21.21 C ATOM 1237 CG ARG A 82 11.684 8.260 -23.480 1.00 43.45 C ATOM 1238 CD ARG A 82 12.997 8.977 -23.750 1.00 23.24 C ATOM 1239 NE ARG A 82 14.041 8.060 -24.197 1.00 64.42 N ATOM 1240 CZ ARG A 82 15.328 8.380 -24.249 1.00 75.15 C ATOM 1241 NH1 ARG A 82 15.729 9.590 -23.882 1.00 75.35 N ATOM 1242 NH2 ARG A 82 16.220 7.490 -24.668 1.00 2.22 N ATOM 0 H ARG A 82 9.013 9.269 -26.804 1.00 62.20 H new ATOM 0 HA ARG A 82 11.808 8.864 -26.064 1.00 73.43 H new ATOM 0 HB2 ARG A 82 10.443 9.890 -24.092 1.00 21.21 H new ATOM 0 HB3 ARG A 82 9.621 8.344 -24.035 1.00 21.21 H new ATOM 0 HG2 ARG A 82 11.432 8.346 -22.423 1.00 43.45 H new ATOM 0 HG3 ARG A 82 11.798 7.198 -23.695 1.00 43.45 H new ATOM 0 HD2 ARG A 82 12.841 9.745 -24.507 1.00 23.24 H new ATOM 0 HD3 ARG A 82 13.325 9.485 -22.843 1.00 23.24 H new ATOM 0 HE ARG A 82 13.766 7.121 -24.485 1.00 64.42 H new ATOM 0 HH11 ARG A 82 15.048 10.277 -23.559 1.00 75.35 H new ATOM 0 HH12 ARG A 82 16.719 9.834 -23.923 1.00 75.35 H new ATOM 0 HH21 ARG A 82 15.917 6.558 -24.951 1.00 2.22 H new ATOM 0 HH22 ARG A 82 17.209 7.738 -24.707 1.00 2.22 H new ATOM 1256 N SER A 83 11.404 6.334 -26.054 1.00 55.01 N ATOM 1257 CA SER A 83 11.224 4.932 -26.413 1.00 11.01 C ATOM 1258 C SER A 83 11.104 4.063 -25.164 1.00 10.45 C ATOM 1259 O SER A 83 11.675 4.377 -24.119 1.00 2.03 O ATOM 1260 CB SER A 83 12.392 4.449 -27.274 1.00 14.43 C ATOM 1261 OG SER A 83 13.618 4.541 -26.568 1.00 5.21 O ATOM 0 H SER A 83 12.318 6.554 -25.658 1.00 55.01 H new ATOM 0 HA SER A 83 10.301 4.845 -26.986 1.00 11.01 H new ATOM 0 HB2 SER A 83 12.221 3.417 -27.579 1.00 14.43 H new ATOM 0 HB3 SER A 83 12.448 5.045 -28.185 1.00 14.43 H new ATOM 0 HG SER A 83 14.349 4.225 -27.139 1.00 5.21 H new ATOM 1267 N ARG A 84 10.358 2.970 -25.281 1.00 23.20 N ATOM 1268 CA ARG A 84 10.162 2.056 -24.162 1.00 24.14 C ATOM 1269 C ARG A 84 10.617 0.646 -24.526 1.00 32.50 C ATOM 1270 O ARG A 84 10.443 0.200 -25.661 1.00 40.42 O ATOM 1271 CB ARG A 84 8.690 2.036 -23.744 1.00 33.30 C ATOM 1272 CG ARG A 84 8.354 0.939 -22.749 1.00 45.12 C ATOM 1273 CD ARG A 84 6.919 1.050 -22.259 1.00 52.20 C ATOM 1274 NE ARG A 84 5.955 0.821 -23.332 1.00 44.42 N ATOM 1275 CZ ARG A 84 4.646 0.704 -23.132 1.00 74.12 C ATOM 1276 NH1 ARG A 84 4.149 0.796 -21.906 1.00 61.30 N ATOM 1277 NH2 ARG A 84 3.833 0.496 -24.159 1.00 74.35 N ATOM 0 H ARG A 84 9.879 2.696 -26.139 1.00 23.20 H new ATOM 0 HA ARG A 84 10.766 2.410 -23.326 1.00 24.14 H new ATOM 0 HB2 ARG A 84 8.432 3.001 -23.308 1.00 33.30 H new ATOM 0 HB3 ARG A 84 8.071 1.911 -24.632 1.00 33.30 H new ATOM 0 HG2 ARG A 84 8.506 -0.035 -23.215 1.00 45.12 H new ATOM 0 HG3 ARG A 84 9.035 0.996 -21.900 1.00 45.12 H new ATOM 0 HD2 ARG A 84 6.752 0.327 -21.461 1.00 52.20 H new ATOM 0 HD3 ARG A 84 6.757 2.040 -21.832 1.00 52.20 H new ATOM 0 HE ARG A 84 6.305 0.747 -24.287 1.00 44.42 H new ATOM 0 HH11 ARG A 84 4.771 0.957 -21.114 1.00 61.30 H new ATOM 0 HH12 ARG A 84 3.144 0.706 -21.755 1.00 61.30 H new ATOM 0 HH21 ARG A 84 4.212 0.426 -25.103 1.00 74.35 H new ATOM 0 HH22 ARG A 84 2.829 0.406 -24.004 1.00 74.35 H new ATOM 1291 N SER A 85 11.201 -0.051 -23.556 1.00 22.13 N ATOM 1292 CA SER A 85 11.685 -1.409 -23.775 1.00 23.34 C ATOM 1293 C SER A 85 10.921 -2.404 -22.908 1.00 43.42 C ATOM 1294 O SER A 85 10.831 -2.244 -21.691 1.00 54.32 O ATOM 1295 CB SER A 85 13.181 -1.494 -23.472 1.00 73.03 C ATOM 1296 OG SER A 85 13.841 -2.346 -24.393 1.00 74.30 O ATOM 0 H SER A 85 11.350 0.303 -22.611 1.00 22.13 H new ATOM 0 HA SER A 85 11.519 -1.664 -24.822 1.00 23.34 H new ATOM 0 HB2 SER A 85 13.621 -0.498 -23.514 1.00 73.03 H new ATOM 0 HB3 SER A 85 13.329 -1.865 -22.458 1.00 73.03 H new ATOM 0 HG SER A 85 14.797 -2.382 -24.179 1.00 74.30 H new ATOM 1302 N GLY A 86 10.373 -3.435 -23.543 1.00 23.13 N ATOM 1303 CA GLY A 86 9.623 -4.442 -22.815 1.00 43.12 C ATOM 1304 C GLY A 86 10.177 -5.838 -23.022 1.00 51.42 C ATOM 1305 O GLY A 86 10.654 -6.172 -24.106 1.00 21.53 O ATOM 0 H GLY A 86 10.435 -3.591 -24.549 1.00 23.13 H new ATOM 0 HA2 GLY A 86 9.636 -4.203 -21.752 1.00 43.12 H new ATOM 0 HA3 GLY A 86 8.581 -4.417 -23.134 1.00 43.12 H new ATOM 1309 N THR A 87 10.116 -6.658 -21.976 1.00 72.30 N ATOM 1310 CA THR A 87 10.617 -8.025 -22.046 1.00 33.34 C ATOM 1311 C THR A 87 9.473 -9.032 -22.022 1.00 54.41 C ATOM 1312 O THR A 87 8.660 -9.042 -21.096 1.00 35.35 O ATOM 1313 CB THR A 87 11.581 -8.329 -20.883 1.00 24.00 C ATOM 1314 OG1 THR A 87 11.047 -7.814 -19.658 1.00 71.13 O ATOM 1315 CG2 THR A 87 12.950 -7.722 -21.141 1.00 35.00 C ATOM 0 H THR A 87 9.724 -6.398 -21.071 1.00 72.30 H new ATOM 0 HA THR A 87 11.157 -8.117 -22.989 1.00 33.34 H new ATOM 0 HB THR A 87 11.691 -9.411 -20.805 1.00 24.00 H new ATOM 0 HG1 THR A 87 10.098 -8.048 -19.591 1.00 71.13 H new ATOM 0 HG21 THR A 87 13.612 -7.950 -20.306 1.00 35.00 H new ATOM 0 HG22 THR A 87 13.366 -8.139 -22.058 1.00 35.00 H new ATOM 0 HG23 THR A 87 12.855 -6.641 -21.244 1.00 35.00 H new ATOM 1323 N LEU A 88 9.417 -9.880 -23.043 1.00 72.01 N ATOM 1324 CA LEU A 88 8.372 -10.893 -23.138 1.00 0.41 C ATOM 1325 C LEU A 88 8.896 -12.259 -22.706 1.00 52.25 C ATOM 1326 O LEU A 88 10.040 -12.615 -22.991 1.00 65.14 O ATOM 1327 CB LEU A 88 7.837 -10.970 -24.569 1.00 31.35 C ATOM 1328 CG LEU A 88 7.719 -12.371 -25.168 1.00 52.54 C ATOM 1329 CD1 LEU A 88 6.506 -12.462 -26.081 1.00 73.02 C ATOM 1330 CD2 LEU A 88 8.988 -12.736 -25.925 1.00 41.00 C ATOM 0 H LEU A 88 10.082 -9.886 -23.816 1.00 72.01 H new ATOM 0 HA LEU A 88 7.561 -10.606 -22.468 1.00 0.41 H new ATOM 0 HB2 LEU A 88 6.853 -10.503 -24.593 1.00 31.35 H new ATOM 0 HB3 LEU A 88 8.488 -10.376 -25.211 1.00 31.35 H new ATOM 0 HG LEU A 88 7.588 -13.083 -24.353 1.00 52.54 H new ATOM 0 HD11 LEU A 88 6.439 -13.467 -26.498 1.00 73.02 H new ATOM 0 HD12 LEU A 88 5.603 -12.245 -25.510 1.00 73.02 H new ATOM 0 HD13 LEU A 88 6.605 -11.739 -26.891 1.00 73.02 H new ATOM 0 HD21 LEU A 88 8.886 -13.737 -26.345 1.00 41.00 H new ATOM 0 HD22 LEU A 88 9.150 -12.020 -26.730 1.00 41.00 H new ATOM 0 HD23 LEU A 88 9.838 -12.713 -25.243 1.00 41.00 H new ATOM 1342 N LYS A 89 8.053 -13.020 -22.017 1.00 13.12 N ATOM 1343 CA LYS A 89 8.430 -14.348 -21.548 1.00 2.23 C ATOM 1344 C LYS A 89 7.581 -15.423 -22.219 1.00 23.14 C ATOM 1345 O LYS A 89 8.084 -16.481 -22.597 1.00 70.12 O ATOM 1346 CB LYS A 89 8.276 -14.437 -20.028 1.00 44.12 C ATOM 1347 CG LYS A 89 9.581 -14.702 -19.298 1.00 74.11 C ATOM 1348 CD LYS A 89 9.360 -15.522 -18.039 1.00 41.31 C ATOM 1349 CE LYS A 89 8.716 -14.692 -16.939 1.00 13.03 C ATOM 1350 NZ LYS A 89 8.617 -15.448 -15.659 1.00 23.55 N ATOM 0 H LYS A 89 7.104 -12.740 -21.771 1.00 13.12 H new ATOM 0 HA LYS A 89 9.474 -14.517 -21.812 1.00 2.23 H new ATOM 0 HB2 LYS A 89 7.846 -13.505 -19.660 1.00 44.12 H new ATOM 0 HB3 LYS A 89 7.568 -15.231 -19.789 1.00 44.12 H new ATOM 0 HG2 LYS A 89 10.269 -15.229 -19.960 1.00 74.11 H new ATOM 0 HG3 LYS A 89 10.052 -13.754 -19.038 1.00 74.11 H new ATOM 0 HD2 LYS A 89 8.726 -16.379 -18.268 1.00 41.31 H new ATOM 0 HD3 LYS A 89 10.314 -15.916 -17.688 1.00 41.31 H new ATOM 0 HE2 LYS A 89 9.299 -13.784 -16.781 1.00 13.03 H new ATOM 0 HE3 LYS A 89 7.720 -14.381 -17.255 1.00 13.03 H new ATOM 0 HZ1 LYS A 89 8.173 -14.848 -14.935 1.00 23.55 H new ATOM 0 HZ2 LYS A 89 8.040 -16.301 -15.803 1.00 23.55 H new ATOM 0 HZ3 LYS A 89 9.569 -15.723 -15.344 1.00 23.55 H new ATOM 1364 N LYS A 90 6.289 -15.145 -22.364 1.00 64.21 N ATOM 1365 CA LYS A 90 5.369 -16.087 -22.992 1.00 74.12 C ATOM 1366 C LYS A 90 5.355 -15.905 -24.507 1.00 20.22 C ATOM 1367 O LYS A 90 5.167 -14.796 -25.006 1.00 51.05 O ATOM 1368 CB LYS A 90 3.957 -15.902 -22.433 1.00 41.22 C ATOM 1369 CG LYS A 90 3.137 -17.180 -22.420 1.00 24.12 C ATOM 1370 CD LYS A 90 2.494 -17.417 -21.063 1.00 60.44 C ATOM 1371 CE LYS A 90 1.011 -17.731 -21.196 1.00 53.23 C ATOM 1372 NZ LYS A 90 0.164 -16.559 -20.844 1.00 30.45 N ATOM 0 H LYS A 90 5.855 -14.275 -22.055 1.00 64.21 H new ATOM 0 HA LYS A 90 5.713 -17.097 -22.768 1.00 74.12 H new ATOM 0 HB2 LYS A 90 4.025 -15.514 -21.417 1.00 41.22 H new ATOM 0 HB3 LYS A 90 3.435 -15.151 -23.027 1.00 41.22 H new ATOM 0 HG2 LYS A 90 2.363 -17.124 -23.186 1.00 24.12 H new ATOM 0 HG3 LYS A 90 3.776 -18.026 -22.673 1.00 24.12 H new ATOM 0 HD2 LYS A 90 2.998 -18.242 -20.559 1.00 60.44 H new ATOM 0 HD3 LYS A 90 2.625 -16.534 -20.438 1.00 60.44 H new ATOM 0 HE2 LYS A 90 0.795 -18.041 -22.218 1.00 53.23 H new ATOM 0 HE3 LYS A 90 0.758 -18.570 -20.548 1.00 53.23 H new ATOM 0 HZ1 LYS A 90 -0.839 -16.812 -20.947 1.00 30.45 H new ATOM 0 HZ2 LYS A 90 0.351 -16.278 -19.860 1.00 30.45 H new ATOM 0 HZ3 LYS A 90 0.388 -15.766 -21.479 1.00 30.45 H new ATOM 1386 N ALA A 91 5.553 -17.001 -25.232 1.00 4.10 N ATOM 1387 CA ALA A 91 5.559 -16.962 -26.688 1.00 65.52 C ATOM 1388 C ALA A 91 4.277 -17.559 -27.259 1.00 50.14 C ATOM 1389 O ALA A 91 3.422 -16.840 -27.779 1.00 41.53 O ATOM 1390 CB ALA A 91 6.774 -17.700 -27.231 1.00 42.11 C ATOM 0 H ALA A 91 5.711 -17.927 -24.834 1.00 4.10 H new ATOM 0 HA ALA A 91 5.612 -15.918 -26.998 1.00 65.52 H new ATOM 0 HB1 ALA A 91 6.765 -17.663 -28.320 1.00 42.11 H new ATOM 0 HB2 ALA A 91 7.683 -17.227 -26.859 1.00 42.11 H new ATOM 0 HB3 ALA A 91 6.745 -18.739 -26.903 1.00 42.11 H new ATOM 1396 N LEU A 92 4.149 -18.878 -27.160 1.00 45.22 N ATOM 1397 CA LEU A 92 2.971 -19.572 -27.666 1.00 61.34 C ATOM 1398 C LEU A 92 2.803 -19.339 -29.165 1.00 12.23 C ATOM 1399 O LEU A 92 3.639 -18.696 -29.801 1.00 23.23 O ATOM 1400 CB LEU A 92 1.719 -19.105 -26.922 1.00 31.42 C ATOM 1401 CG LEU A 92 1.888 -18.839 -25.426 1.00 42.13 C ATOM 1402 CD1 LEU A 92 0.550 -18.489 -24.792 1.00 53.32 C ATOM 1403 CD2 LEU A 92 2.507 -20.047 -24.737 1.00 12.34 C ATOM 0 H LEU A 92 4.847 -19.488 -26.734 1.00 45.22 H new ATOM 0 HA LEU A 92 3.109 -20.640 -27.496 1.00 61.34 H new ATOM 0 HB2 LEU A 92 1.359 -18.191 -27.395 1.00 31.42 H new ATOM 0 HB3 LEU A 92 0.942 -19.858 -27.051 1.00 31.42 H new ATOM 0 HG LEU A 92 2.560 -17.990 -25.300 1.00 42.13 H new ATOM 0 HD11 LEU A 92 0.690 -18.303 -23.727 1.00 53.32 H new ATOM 0 HD12 LEU A 92 0.145 -17.595 -25.267 1.00 53.32 H new ATOM 0 HD13 LEU A 92 -0.145 -19.318 -24.927 1.00 53.32 H new ATOM 0 HD21 LEU A 92 2.620 -19.840 -23.673 1.00 12.34 H new ATOM 0 HD22 LEU A 92 1.860 -20.914 -24.872 1.00 12.34 H new ATOM 0 HD23 LEU A 92 3.485 -20.253 -25.173 1.00 12.34 H new ATOM 1415 N PHE A 93 1.715 -19.862 -29.721 1.00 71.44 N ATOM 1416 CA PHE A 93 1.437 -19.708 -31.145 1.00 42.43 C ATOM 1417 C PHE A 93 2.566 -20.296 -31.987 1.00 55.13 C ATOM 1418 O PHE A 93 2.743 -19.932 -33.148 1.00 61.20 O ATOM 1419 CB PHE A 93 1.243 -18.231 -31.493 1.00 5.45 C ATOM 1420 CG PHE A 93 0.597 -18.010 -32.831 1.00 54.43 C ATOM 1421 CD1 PHE A 93 -0.630 -18.580 -33.126 1.00 3.31 C ATOM 1422 CD2 PHE A 93 1.220 -17.232 -33.794 1.00 3.43 C ATOM 1423 CE1 PHE A 93 -1.227 -18.379 -34.356 1.00 15.22 C ATOM 1424 CE2 PHE A 93 0.627 -17.027 -35.025 1.00 35.35 C ATOM 1425 CZ PHE A 93 -0.597 -17.601 -35.307 1.00 32.22 C ATOM 0 H PHE A 93 1.012 -20.395 -29.209 1.00 71.44 H new ATOM 0 HA PHE A 93 0.519 -20.250 -31.370 1.00 42.43 H new ATOM 0 HB2 PHE A 93 0.632 -17.761 -30.722 1.00 5.45 H new ATOM 0 HB3 PHE A 93 2.212 -17.733 -31.480 1.00 5.45 H new ATOM 0 HD1 PHE A 93 -1.127 -19.189 -32.385 1.00 3.31 H new ATOM 0 HD2 PHE A 93 2.178 -16.782 -33.580 1.00 3.43 H new ATOM 0 HE1 PHE A 93 -2.184 -18.829 -34.573 1.00 15.22 H new ATOM 0 HE2 PHE A 93 1.121 -16.417 -35.767 1.00 35.35 H new ATOM 0 HZ PHE A 93 -1.061 -17.442 -36.269 1.00 32.22 H new ATOM 1435 N ASN A 94 3.330 -21.206 -31.390 1.00 25.13 N ATOM 1436 CA ASN A 94 4.442 -21.844 -32.083 1.00 34.11 C ATOM 1437 C ASN A 94 5.569 -20.847 -32.333 1.00 54.05 C ATOM 1438 O ASN A 94 6.592 -20.867 -31.649 1.00 74.54 O ATOM 1439 CB ASN A 94 3.970 -22.440 -33.411 1.00 12.32 C ATOM 1440 CG ASN A 94 4.059 -23.954 -33.430 1.00 2.35 C ATOM 1441 OD1 ASN A 94 3.258 -24.641 -32.797 1.00 41.50 O ATOM 1442 ND2 ASN A 94 5.036 -24.480 -34.158 1.00 54.04 N ATOM 0 H ASN A 94 3.198 -21.517 -30.428 1.00 25.13 H new ATOM 0 HA ASN A 94 4.822 -22.645 -31.448 1.00 34.11 H new ATOM 0 HB2 ASN A 94 2.939 -22.137 -33.596 1.00 12.32 H new ATOM 0 HB3 ASN A 94 4.573 -22.033 -34.223 1.00 12.32 H new ATOM 0 HD21 ASN A 94 5.146 -25.493 -34.209 1.00 54.04 H new ATOM 0 HD22 ASN A 94 5.677 -23.871 -34.667 1.00 54.04 H new ATOM 1449 N ALA A 95 5.375 -19.976 -33.318 1.00 33.10 N ATOM 1450 CA ALA A 95 6.374 -18.970 -33.657 1.00 0.05 C ATOM 1451 C ALA A 95 6.747 -18.134 -32.437 1.00 42.22 C ATOM 1452 O ALA A 95 5.879 -17.572 -31.770 1.00 65.32 O ATOM 1453 CB ALA A 95 5.861 -18.074 -34.775 1.00 71.33 C ATOM 0 H ALA A 95 4.535 -19.947 -33.895 1.00 33.10 H new ATOM 0 HA ALA A 95 7.271 -19.485 -34.000 1.00 0.05 H new ATOM 0 HB1 ALA A 95 6.617 -17.327 -35.018 1.00 71.33 H new ATOM 0 HB2 ALA A 95 5.650 -18.678 -35.658 1.00 71.33 H new ATOM 0 HB3 ALA A 95 4.948 -17.574 -34.451 1.00 71.33 H new ATOM 1459 N GLU A 96 8.043 -18.059 -32.151 1.00 34.13 N ATOM 1460 CA GLU A 96 8.529 -17.292 -31.010 1.00 52.35 C ATOM 1461 C GLU A 96 8.387 -15.793 -31.260 1.00 64.24 C ATOM 1462 O GLU A 96 8.436 -15.336 -32.402 1.00 52.20 O ATOM 1463 CB GLU A 96 9.993 -17.636 -30.724 1.00 53.21 C ATOM 1464 CG GLU A 96 10.964 -17.056 -31.738 1.00 71.22 C ATOM 1465 CD GLU A 96 12.334 -17.703 -31.672 1.00 2.13 C ATOM 1466 OE1 GLU A 96 12.645 -18.326 -30.635 1.00 13.12 O ATOM 1467 OE2 GLU A 96 13.094 -17.588 -32.656 1.00 1.12 O ATOM 0 H GLU A 96 8.774 -18.519 -32.693 1.00 34.13 H new ATOM 0 HA GLU A 96 7.924 -17.556 -30.143 1.00 52.35 H new ATOM 0 HB2 GLU A 96 10.256 -17.270 -29.731 1.00 53.21 H new ATOM 0 HB3 GLU A 96 10.106 -18.720 -30.705 1.00 53.21 H new ATOM 0 HG2 GLU A 96 10.555 -17.182 -32.740 1.00 71.22 H new ATOM 0 HG3 GLU A 96 11.064 -15.984 -31.567 1.00 71.22 H new ATOM 1474 N CYS A 97 8.208 -15.035 -30.184 1.00 43.44 N ATOM 1475 CA CYS A 97 8.056 -13.588 -30.284 1.00 61.35 C ATOM 1476 C CYS A 97 9.334 -12.877 -29.849 1.00 12.11 C ATOM 1477 O CYS A 97 10.204 -13.474 -29.214 1.00 24.44 O ATOM 1478 CB CYS A 97 6.880 -13.117 -29.426 1.00 61.31 C ATOM 1479 SG CYS A 97 5.337 -12.860 -30.360 1.00 25.14 S ATOM 0 H CYS A 97 8.165 -15.399 -29.232 1.00 43.44 H new ATOM 0 HA CYS A 97 7.859 -13.339 -31.327 1.00 61.35 H new ATOM 0 HB2 CYS A 97 6.699 -13.851 -28.641 1.00 61.31 H new ATOM 0 HB3 CYS A 97 7.154 -12.184 -28.933 1.00 61.31 H new ATOM 1485 N GLN A 98 9.439 -11.598 -30.196 1.00 10.42 N ATOM 1486 CA GLN A 98 10.611 -10.805 -29.841 1.00 4.14 C ATOM 1487 C GLN A 98 10.697 -10.606 -28.331 1.00 43.00 C ATOM 1488 O GLN A 98 9.791 -10.046 -27.714 1.00 23.54 O ATOM 1489 CB GLN A 98 10.565 -9.447 -30.544 1.00 72.25 C ATOM 1490 CG GLN A 98 9.249 -8.709 -30.359 1.00 2.21 C ATOM 1491 CD GLN A 98 8.615 -8.307 -31.676 1.00 44.35 C ATOM 1492 OE1 GLN A 98 9.015 -7.322 -32.296 1.00 62.14 O ATOM 1493 NE2 GLN A 98 7.618 -9.071 -32.110 1.00 15.42 N ATOM 0 H GLN A 98 8.728 -11.089 -30.722 1.00 10.42 H new ATOM 0 HA GLN A 98 11.498 -11.347 -30.169 1.00 4.14 H new ATOM 0 HB2 GLN A 98 11.377 -8.825 -30.167 1.00 72.25 H new ATOM 0 HB3 GLN A 98 10.743 -9.593 -31.609 1.00 72.25 H new ATOM 0 HG2 GLN A 98 8.556 -9.343 -29.805 1.00 2.21 H new ATOM 0 HG3 GLN A 98 9.418 -7.818 -29.755 1.00 2.21 H new ATOM 0 HE21 GLN A 98 7.319 -9.879 -31.563 1.00 15.42 H new ATOM 0 HE22 GLN A 98 7.152 -8.850 -32.990 1.00 15.42 H new ATOM 1502 N THR A 99 11.794 -11.069 -27.740 1.00 55.42 N ATOM 1503 CA THR A 99 11.999 -10.944 -26.302 1.00 21.01 C ATOM 1504 C THR A 99 12.190 -9.487 -25.899 1.00 34.42 C ATOM 1505 O THR A 99 12.202 -9.155 -24.713 1.00 24.44 O ATOM 1506 CB THR A 99 13.220 -11.758 -25.836 1.00 45.20 C ATOM 1507 OG1 THR A 99 14.064 -12.060 -26.953 1.00 15.23 O ATOM 1508 CG2 THR A 99 12.783 -13.051 -25.161 1.00 31.52 C ATOM 0 H THR A 99 12.555 -11.534 -28.235 1.00 55.42 H new ATOM 0 HA THR A 99 11.104 -11.337 -25.820 1.00 21.01 H new ATOM 0 HB THR A 99 13.774 -11.158 -25.114 1.00 45.20 H new ATOM 0 HG1 THR A 99 14.839 -12.576 -26.647 1.00 15.23 H new ATOM 0 HG21 THR A 99 13.663 -13.609 -24.840 1.00 31.52 H new ATOM 0 HG22 THR A 99 12.165 -12.818 -24.294 1.00 31.52 H new ATOM 0 HG23 THR A 99 12.208 -13.653 -25.865 1.00 31.52 H new ATOM 1516 N THR A 100 12.340 -8.617 -26.894 1.00 3.13 N ATOM 1517 CA THR A 100 12.531 -7.194 -26.642 1.00 31.43 C ATOM 1518 C THR A 100 11.712 -6.350 -27.612 1.00 34.25 C ATOM 1519 O THR A 100 11.667 -6.631 -28.810 1.00 1.22 O ATOM 1520 CB THR A 100 14.014 -6.797 -26.760 1.00 42.24 C ATOM 1521 OG1 THR A 100 14.841 -7.963 -26.676 1.00 31.50 O ATOM 1522 CG2 THR A 100 14.401 -5.815 -25.664 1.00 42.00 C ATOM 0 H THR A 100 12.333 -8.873 -27.881 1.00 3.13 H new ATOM 0 HA THR A 100 12.192 -7.005 -25.624 1.00 31.43 H new ATOM 0 HB THR A 100 14.162 -6.315 -27.726 1.00 42.24 H new ATOM 0 HG1 THR A 100 15.783 -7.703 -26.754 1.00 31.50 H new ATOM 0 HG21 THR A 100 15.453 -5.549 -25.768 1.00 42.00 H new ATOM 0 HG22 THR A 100 13.790 -4.916 -25.748 1.00 42.00 H new ATOM 0 HG23 THR A 100 14.238 -6.275 -24.689 1.00 42.00 H new ATOM 1530 N ILE A 101 11.067 -5.313 -27.088 1.00 21.12 N ATOM 1531 CA ILE A 101 10.252 -4.426 -27.909 1.00 21.01 C ATOM 1532 C ILE A 101 10.825 -3.014 -27.928 1.00 30.40 C ATOM 1533 O ILE A 101 11.288 -2.505 -26.907 1.00 22.12 O ATOM 1534 CB ILE A 101 8.798 -4.371 -27.404 1.00 1.42 C ATOM 1535 CG1 ILE A 101 8.650 -5.187 -26.118 1.00 1.42 C ATOM 1536 CG2 ILE A 101 7.845 -4.883 -28.475 1.00 54.44 C ATOM 1537 CD1 ILE A 101 7.253 -5.151 -25.537 1.00 52.12 C ATOM 0 H ILE A 101 11.093 -5.066 -26.099 1.00 21.12 H new ATOM 0 HA ILE A 101 10.262 -4.833 -28.920 1.00 21.01 H new ATOM 0 HB ILE A 101 8.544 -3.334 -27.185 1.00 1.42 H new ATOM 0 HG12 ILE A 101 8.924 -6.222 -26.321 1.00 1.42 H new ATOM 0 HG13 ILE A 101 9.354 -4.811 -25.375 1.00 1.42 H new ATOM 0 HG21 ILE A 101 6.821 -4.838 -28.103 1.00 54.44 H new ATOM 0 HG22 ILE A 101 7.934 -4.264 -29.368 1.00 54.44 H new ATOM 0 HG23 ILE A 101 8.096 -5.914 -28.722 1.00 54.44 H new ATOM 0 HD11 ILE A 101 7.222 -5.751 -24.627 1.00 52.12 H new ATOM 0 HD12 ILE A 101 6.983 -4.121 -25.302 1.00 52.12 H new ATOM 0 HD13 ILE A 101 6.547 -5.555 -26.262 1.00 52.12 H new ATOM 1549 N LYS A 102 10.789 -2.383 -29.098 1.00 44.53 N ATOM 1550 CA LYS A 102 11.302 -1.027 -29.252 1.00 72.53 C ATOM 1551 C LYS A 102 10.213 -0.088 -29.762 1.00 64.03 C ATOM 1552 O LYS A 102 10.051 0.092 -30.970 1.00 0.53 O ATOM 1553 CB LYS A 102 12.492 -1.016 -30.214 1.00 65.12 C ATOM 1554 CG LYS A 102 13.669 -1.850 -29.737 1.00 12.23 C ATOM 1555 CD LYS A 102 14.706 -0.994 -29.029 1.00 30.34 C ATOM 1556 CE LYS A 102 15.849 -0.620 -29.960 1.00 14.04 C ATOM 1557 NZ LYS A 102 17.173 -0.991 -29.391 1.00 55.44 N ATOM 0 H LYS A 102 10.410 -2.790 -29.953 1.00 44.53 H new ATOM 0 HA LYS A 102 11.631 -0.676 -28.274 1.00 72.53 H new ATOM 0 HB2 LYS A 102 12.166 -1.386 -31.186 1.00 65.12 H new ATOM 0 HB3 LYS A 102 12.822 0.013 -30.359 1.00 65.12 H new ATOM 0 HG2 LYS A 102 13.315 -2.628 -29.061 1.00 12.23 H new ATOM 0 HG3 LYS A 102 14.129 -2.352 -30.588 1.00 12.23 H new ATOM 0 HD2 LYS A 102 14.234 -0.088 -28.649 1.00 30.34 H new ATOM 0 HD3 LYS A 102 15.099 -1.534 -28.168 1.00 30.34 H new ATOM 0 HE2 LYS A 102 15.714 -1.119 -30.920 1.00 14.04 H new ATOM 0 HE3 LYS A 102 15.824 0.453 -30.152 1.00 14.04 H new ATOM 0 HZ1 LYS A 102 17.925 -0.719 -30.056 1.00 55.44 H new ATOM 0 HZ2 LYS A 102 17.314 -0.495 -28.488 1.00 55.44 H new ATOM 0 HZ3 LYS A 102 17.207 -2.018 -29.231 1.00 55.44 H new ATOM 1571 N VAL A 103 9.470 0.508 -28.836 1.00 42.44 N ATOM 1572 CA VAL A 103 8.398 1.429 -29.192 1.00 15.13 C ATOM 1573 C VAL A 103 8.765 2.865 -28.830 1.00 55.40 C ATOM 1574 O VAL A 103 9.611 3.101 -27.967 1.00 1.15 O ATOM 1575 CB VAL A 103 7.080 1.056 -28.489 1.00 2.31 C ATOM 1576 CG1 VAL A 103 6.461 -0.174 -29.135 1.00 2.24 C ATOM 1577 CG2 VAL A 103 7.314 0.828 -27.003 1.00 64.02 C ATOM 0 H VAL A 103 9.591 0.369 -27.833 1.00 42.44 H new ATOM 0 HA VAL A 103 8.260 1.352 -30.270 1.00 15.13 H new ATOM 0 HB VAL A 103 6.382 1.886 -28.599 1.00 2.31 H new ATOM 0 HG11 VAL A 103 5.530 -0.423 -28.625 1.00 2.24 H new ATOM 0 HG12 VAL A 103 6.256 0.031 -30.186 1.00 2.24 H new ATOM 0 HG13 VAL A 103 7.153 -1.013 -29.058 1.00 2.24 H new ATOM 0 HG21 VAL A 103 6.372 0.565 -26.522 1.00 64.02 H new ATOM 0 HG22 VAL A 103 8.029 0.016 -26.868 1.00 64.02 H new ATOM 0 HG23 VAL A 103 7.709 1.739 -26.553 1.00 64.02 H new ATOM 1587 N SER A 104 8.124 3.820 -29.495 1.00 21.42 N ATOM 1588 CA SER A 104 8.384 5.233 -29.247 1.00 53.42 C ATOM 1589 C SER A 104 7.135 6.070 -29.505 1.00 41.52 C ATOM 1590 O SER A 104 6.373 5.800 -30.433 1.00 61.20 O ATOM 1591 CB SER A 104 9.532 5.724 -30.131 1.00 51.43 C ATOM 1592 OG SER A 104 10.411 4.663 -30.462 1.00 74.02 O ATOM 0 H SER A 104 7.420 3.641 -30.211 1.00 21.42 H new ATOM 0 HA SER A 104 8.666 5.347 -28.200 1.00 53.42 H new ATOM 0 HB2 SER A 104 9.130 6.165 -31.043 1.00 51.43 H new ATOM 0 HB3 SER A 104 10.083 6.509 -29.614 1.00 51.43 H new ATOM 0 HG SER A 104 11.135 5.003 -31.029 1.00 74.02 H new ATOM 1598 N LYS A 105 6.930 7.086 -28.673 1.00 74.41 N ATOM 1599 CA LYS A 105 5.775 7.965 -28.810 1.00 10.33 C ATOM 1600 C LYS A 105 6.098 9.370 -28.310 1.00 43.32 C ATOM 1601 O LYS A 105 6.792 9.555 -27.310 1.00 43.43 O ATOM 1602 CB LYS A 105 4.583 7.398 -28.034 1.00 63.41 C ATOM 1603 CG LYS A 105 3.529 6.760 -28.922 1.00 10.54 C ATOM 1604 CD LYS A 105 2.489 6.013 -28.103 1.00 1.14 C ATOM 1605 CE LYS A 105 1.159 5.928 -28.837 1.00 5.53 C ATOM 1606 NZ LYS A 105 0.138 5.181 -28.049 1.00 72.44 N ATOM 0 H LYS A 105 7.549 7.321 -27.897 1.00 74.41 H new ATOM 0 HA LYS A 105 5.518 8.025 -29.868 1.00 10.33 H new ATOM 0 HB2 LYS A 105 4.943 6.656 -27.321 1.00 63.41 H new ATOM 0 HB3 LYS A 105 4.123 8.199 -27.455 1.00 63.41 H new ATOM 0 HG2 LYS A 105 3.040 7.530 -29.518 1.00 10.54 H new ATOM 0 HG3 LYS A 105 4.007 6.072 -29.620 1.00 10.54 H new ATOM 0 HD2 LYS A 105 2.850 5.008 -27.884 1.00 1.14 H new ATOM 0 HD3 LYS A 105 2.347 6.516 -27.147 1.00 1.14 H new ATOM 0 HE2 LYS A 105 0.794 6.934 -29.044 1.00 5.53 H new ATOM 0 HE3 LYS A 105 1.306 5.437 -29.799 1.00 5.53 H new ATOM 0 HZ1 LYS A 105 -0.754 5.145 -28.582 1.00 72.44 H new ATOM 0 HZ2 LYS A 105 0.475 4.213 -27.873 1.00 72.44 H new ATOM 0 HZ3 LYS A 105 -0.021 5.663 -27.141 1.00 72.44 H new ATOM 1620 N PRO A 106 5.582 10.384 -29.020 1.00 72.35 N ATOM 1621 CA PRO A 106 5.801 11.789 -28.666 1.00 15.32 C ATOM 1622 C PRO A 106 5.072 12.185 -27.386 1.00 32.52 C ATOM 1623 O PRO A 106 4.018 11.636 -27.065 1.00 34.51 O ATOM 1624 CB PRO A 106 5.230 12.550 -29.865 1.00 10.53 C ATOM 1625 CG PRO A 106 4.220 11.627 -30.454 1.00 53.41 C ATOM 1626 CD PRO A 106 4.746 10.237 -30.223 1.00 71.10 C ATOM 0 HA PRO A 106 6.852 12.001 -28.471 1.00 15.32 H new ATOM 0 HB2 PRO A 106 4.774 13.491 -29.556 1.00 10.53 H new ATOM 0 HB3 PRO A 106 6.010 12.795 -30.586 1.00 10.53 H new ATOM 0 HG2 PRO A 106 3.247 11.760 -29.981 1.00 53.41 H new ATOM 0 HG3 PRO A 106 4.086 11.822 -31.518 1.00 53.41 H new ATOM 0 HD2 PRO A 106 3.938 9.523 -30.066 1.00 71.10 H new ATOM 0 HD3 PRO A 106 5.326 9.880 -31.074 1.00 71.10 H new ATOM 1634 N CYS A 107 5.639 13.143 -26.659 1.00 22.41 N ATOM 1635 CA CYS A 107 5.043 13.613 -25.415 1.00 72.53 C ATOM 1636 C CYS A 107 5.285 15.107 -25.227 1.00 55.54 C ATOM 1637 O CYS A 107 6.185 15.684 -25.838 1.00 75.20 O ATOM 1638 CB CYS A 107 5.616 12.838 -24.227 1.00 5.40 C ATOM 1639 SG CYS A 107 7.415 12.571 -24.310 1.00 14.20 S ATOM 0 H CYS A 107 6.511 13.609 -26.911 1.00 22.41 H new ATOM 0 HA CYS A 107 3.968 13.441 -25.468 1.00 72.53 H new ATOM 0 HB2 CYS A 107 5.382 13.377 -23.309 1.00 5.40 H new ATOM 0 HB3 CYS A 107 5.119 11.870 -24.165 1.00 5.40 H new ATOM 1645 N THR A 108 4.476 15.729 -24.374 1.00 33.54 N ATOM 1646 CA THR A 108 4.602 17.156 -24.105 1.00 33.52 C ATOM 1647 C THR A 108 5.343 17.406 -22.797 1.00 33.35 C ATOM 1648 O THR A 108 5.246 16.635 -21.843 1.00 25.43 O ATOM 1649 CB THR A 108 3.222 17.840 -24.039 1.00 45.23 C ATOM 1650 OG1 THR A 108 2.238 16.910 -23.572 1.00 40.32 O ATOM 1651 CG2 THR A 108 2.815 18.372 -25.404 1.00 14.12 C ATOM 0 H THR A 108 3.727 15.267 -23.858 1.00 33.54 H new ATOM 0 HA THR A 108 5.172 17.583 -24.930 1.00 33.52 H new ATOM 0 HB THR A 108 3.289 18.678 -23.346 1.00 45.23 H new ATOM 0 HG1 THR A 108 1.364 17.352 -23.531 1.00 40.32 H new ATOM 0 HG21 THR A 108 1.838 18.850 -25.332 1.00 14.12 H new ATOM 0 HG22 THR A 108 3.551 19.100 -25.745 1.00 14.12 H new ATOM 0 HG23 THR A 108 2.764 17.548 -26.115 1.00 14.12 H new