USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 79 THR OG1 : rot -89:sc= 0.896 USER MOD Set 1.2: A 81 THR OG1 : rot 171:sc= 0.379 USER MOD Set 2.1: A 42 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 43 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0438 X(o=-0.044,f=-0.0015) USER MOD Single : A 35 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.059) USER MOD Single : A 37 MET CE :methyl -133:sc= 0 (180deg=-0.0554) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -158:sc= 0.359 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.144 USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0.348 (180deg=0.262) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.83 K(o=-2.8,f=-7!) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.013 (180deg=-0.229) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00674 USER MOD Single : A 104 THR OG1 : 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= -0.0372 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 30.254 -26.590 -24.287 1.00 52.33 N ATOM 258 CA ALA A 19 29.917 -27.582 -25.300 1.00 72.14 C ATOM 259 C ALA A 19 28.419 -27.871 -25.308 1.00 41.24 C ATOM 260 O ALA A 19 27.970 -28.846 -25.909 1.00 54.43 O ATOM 261 CB ALA A 19 30.701 -28.864 -25.065 1.00 10.41 C ATOM 0 HA ALA A 19 30.188 -27.176 -26.275 1.00 72.14 H new ATOM 0 HB1 ALA A 19 30.439 -29.596 -25.829 1.00 10.41 H new ATOM 0 HB2 ALA A 19 31.769 -28.652 -25.116 1.00 10.41 H new ATOM 0 HB3 ALA A 19 30.458 -29.264 -24.081 1.00 10.41 H new ATOM 267 N GLU A 20 27.653 -27.016 -24.639 1.00 74.14 N ATOM 268 CA GLU A 20 26.205 -27.181 -24.568 1.00 32.41 C ATOM 269 C GLU A 20 25.561 -26.024 -23.810 1.00 23.41 C ATOM 270 O GLU A 20 24.921 -26.225 -22.779 1.00 1.41 O ATOM 271 CB GLU A 20 25.853 -28.508 -23.892 1.00 61.44 C ATOM 272 CG GLU A 20 24.551 -29.116 -24.387 1.00 31.12 C ATOM 273 CD GLU A 20 24.747 -30.486 -25.008 1.00 73.11 C ATOM 274 OE1 GLU A 20 24.930 -31.462 -24.251 1.00 22.14 O ATOM 275 OE2 GLU A 20 24.717 -30.582 -26.254 1.00 0.52 O ATOM 0 H GLU A 20 28.010 -26.202 -24.138 1.00 74.14 H new ATOM 0 HA GLU A 20 25.816 -27.186 -25.586 1.00 32.41 H new ATOM 0 HB2 GLU A 20 26.663 -29.218 -24.060 1.00 61.44 H new ATOM 0 HB3 GLU A 20 25.785 -28.351 -22.816 1.00 61.44 H new ATOM 0 HG2 GLU A 20 23.851 -29.195 -23.555 1.00 31.12 H new ATOM 0 HG3 GLU A 20 24.099 -28.449 -25.121 1.00 31.12 H new ATOM 282 N TRP A 21 25.737 -24.814 -24.328 1.00 0.23 N ATOM 283 CA TRP A 21 25.174 -23.625 -23.700 1.00 52.02 C ATOM 284 C TRP A 21 23.652 -23.632 -23.784 1.00 52.24 C ATOM 285 O TRP A 21 23.081 -23.677 -24.875 1.00 62.20 O ATOM 286 CB TRP A 21 25.728 -22.363 -24.363 1.00 62.14 C ATOM 287 CG TRP A 21 27.209 -22.207 -24.202 1.00 35.40 C ATOM 288 CD1 TRP A 21 28.167 -22.473 -25.138 1.00 72.41 C ATOM 289 CD2 TRP A 21 27.902 -21.754 -23.035 1.00 42.41 C ATOM 290 NE1 TRP A 21 29.414 -22.212 -24.624 1.00 13.44 N ATOM 291 CE2 TRP A 21 29.278 -21.769 -23.334 1.00 64.23 C ATOM 292 CE3 TRP A 21 27.494 -21.334 -21.765 1.00 61.22 C ATOM 293 CZ2 TRP A 21 30.246 -21.381 -22.411 1.00 2.10 C ATOM 294 CZ3 TRP A 21 28.456 -20.950 -20.850 1.00 15.42 C ATOM 295 CH2 TRP A 21 29.817 -20.975 -21.176 1.00 20.52 C ATOM 0 H TRP A 21 26.265 -24.631 -25.181 1.00 0.23 H new ATOM 0 HA TRP A 21 25.460 -23.631 -22.648 1.00 52.02 H new ATOM 0 HB2 TRP A 21 25.486 -22.384 -25.426 1.00 62.14 H new ATOM 0 HB3 TRP A 21 25.230 -21.491 -23.939 1.00 62.14 H new ATOM 0 HD1 TRP A 21 27.973 -22.836 -26.137 1.00 72.41 H new ATOM 0 HE1 TRP A 21 30.297 -22.329 -25.121 1.00 13.44 H new ATOM 0 HE3 TRP A 21 26.446 -21.310 -21.504 1.00 61.22 H new ATOM 0 HZ2 TRP A 21 31.297 -21.400 -22.660 1.00 2.10 H new ATOM 0 HZ3 TRP A 21 28.152 -20.625 -19.866 1.00 15.42 H new ATOM 0 HH2 TRP A 21 30.543 -20.668 -20.438 1.00 20.52 H new ATOM 306 N LEU A 22 22.999 -23.592 -22.629 1.00 42.50 N ATOM 307 CA LEU A 22 21.541 -23.593 -22.573 1.00 3.04 C ATOM 308 C LEU A 22 21.009 -22.216 -22.191 1.00 41.12 C ATOM 309 O LEU A 22 21.133 -21.788 -21.044 1.00 40.44 O ATOM 310 CB LEU A 22 21.051 -24.638 -21.569 1.00 33.15 C ATOM 311 CG LEU A 22 21.834 -24.728 -20.258 1.00 43.13 C ATOM 312 CD1 LEU A 22 20.885 -24.735 -19.069 1.00 60.13 C ATOM 313 CD2 LEU A 22 22.715 -25.968 -20.247 1.00 53.43 C ATOM 0 H LEU A 22 23.456 -23.558 -21.718 1.00 42.50 H new ATOM 0 HA LEU A 22 21.164 -23.845 -23.564 1.00 3.04 H new ATOM 0 HB2 LEU A 22 20.009 -24.425 -21.332 1.00 33.15 H new ATOM 0 HB3 LEU A 22 21.075 -25.615 -22.051 1.00 33.15 H new ATOM 0 HG LEU A 22 22.476 -23.850 -20.179 1.00 43.13 H new ATOM 0 HD11 LEU A 22 21.460 -24.799 -18.145 1.00 60.13 H new ATOM 0 HD12 LEU A 22 20.297 -23.817 -19.067 1.00 60.13 H new ATOM 0 HD13 LEU A 22 20.217 -25.593 -19.142 1.00 60.13 H new ATOM 0 HD21 LEU A 22 23.265 -26.016 -19.307 1.00 53.43 H new ATOM 0 HD22 LEU A 22 22.093 -26.857 -20.349 1.00 53.43 H new ATOM 0 HD23 LEU A 22 23.420 -25.921 -21.077 1.00 53.43 H new ATOM 325 N TYR A 23 20.415 -21.528 -23.159 1.00 2.21 N ATOM 326 CA TYR A 23 19.862 -20.199 -22.926 1.00 21.34 C ATOM 327 C TYR A 23 18.430 -20.105 -23.442 1.00 4.22 C ATOM 328 O TYR A 23 17.985 -20.940 -24.227 1.00 52.21 O ATOM 329 CB TYR A 23 20.731 -19.138 -23.603 1.00 2.25 C ATOM 330 CG TYR A 23 21.617 -19.687 -24.698 1.00 51.42 C ATOM 331 CD1 TYR A 23 21.070 -20.268 -25.834 1.00 55.25 C ATOM 332 CD2 TYR A 23 23.001 -19.625 -24.594 1.00 65.24 C ATOM 333 CE1 TYR A 23 21.876 -20.773 -26.836 1.00 75.44 C ATOM 334 CE2 TYR A 23 23.815 -20.126 -25.594 1.00 44.42 C ATOM 335 CZ TYR A 23 23.247 -20.698 -26.711 1.00 73.24 C ATOM 336 OH TYR A 23 24.052 -21.198 -27.709 1.00 73.21 O ATOM 0 H TYR A 23 20.304 -21.869 -24.114 1.00 2.21 H new ATOM 0 HA TYR A 23 19.852 -20.021 -21.851 1.00 21.34 H new ATOM 0 HB2 TYR A 23 20.086 -18.366 -24.023 1.00 2.25 H new ATOM 0 HB3 TYR A 23 21.355 -18.657 -22.850 1.00 2.25 H new ATOM 0 HD1 TYR A 23 19.996 -20.326 -25.936 1.00 55.25 H new ATOM 0 HD2 TYR A 23 23.449 -19.178 -23.718 1.00 65.24 H new ATOM 0 HE1 TYR A 23 21.435 -21.224 -27.712 1.00 75.44 H new ATOM 0 HE2 TYR A 23 24.889 -20.069 -25.500 1.00 44.42 H new ATOM 0 HH TYR A 23 24.993 -21.066 -27.467 1.00 73.21 H new ATOM 346 N GLY A 24 17.712 -19.079 -22.993 1.00 11.32 N ATOM 347 CA GLY A 24 16.337 -18.893 -23.420 1.00 22.04 C ATOM 348 C GLY A 24 15.852 -17.473 -23.206 1.00 33.02 C ATOM 349 O GLY A 24 15.182 -16.902 -24.067 1.00 31.45 O ATOM 0 H GLY A 24 18.058 -18.374 -22.342 1.00 11.32 H new ATOM 0 HA2 GLY A 24 16.250 -19.148 -24.476 1.00 22.04 H new ATOM 0 HA3 GLY A 24 15.693 -19.580 -22.872 1.00 22.04 H new ATOM 353 N SER A 25 16.188 -16.901 -22.053 1.00 75.03 N ATOM 354 CA SER A 25 15.776 -15.541 -21.727 1.00 22.21 C ATOM 355 C SER A 25 16.458 -14.531 -22.647 1.00 75.30 C ATOM 356 O SER A 25 17.680 -14.531 -22.790 1.00 74.23 O ATOM 357 CB SER A 25 16.106 -15.222 -20.269 1.00 11.53 C ATOM 358 OG SER A 25 17.135 -14.250 -20.178 1.00 52.32 O ATOM 0 H SER A 25 16.744 -17.358 -21.330 1.00 75.03 H new ATOM 0 HA SER A 25 14.698 -15.470 -21.873 1.00 22.21 H new ATOM 0 HB2 SER A 25 15.212 -14.858 -19.762 1.00 11.53 H new ATOM 0 HB3 SER A 25 16.415 -16.132 -19.756 1.00 11.53 H new ATOM 0 HG SER A 25 17.326 -14.063 -19.235 1.00 52.32 H new ATOM 364 N CYS A 26 15.657 -13.672 -23.269 1.00 12.40 N ATOM 365 CA CYS A 26 16.180 -12.658 -24.174 1.00 2.10 C ATOM 366 C CYS A 26 15.904 -11.256 -23.639 1.00 54.20 C ATOM 367 O CYS A 26 14.783 -10.944 -23.231 1.00 14.15 O ATOM 368 CB CYS A 26 15.560 -12.817 -25.564 1.00 45.35 C ATOM 369 SG CYS A 26 16.530 -13.862 -26.696 1.00 74.50 S ATOM 0 H CYS A 26 14.643 -13.659 -23.162 1.00 12.40 H new ATOM 0 HA CYS A 26 17.259 -12.793 -24.247 1.00 2.10 H new ATOM 0 HB2 CYS A 26 14.562 -13.243 -25.458 1.00 45.35 H new ATOM 0 HB3 CYS A 26 15.439 -11.830 -26.011 1.00 45.35 H new ATOM 375 N VAL A 27 16.931 -10.413 -23.644 1.00 42.54 N ATOM 376 CA VAL A 27 16.798 -9.042 -23.162 1.00 31.42 C ATOM 377 C VAL A 27 16.589 -8.070 -24.317 1.00 21.45 C ATOM 378 O VAL A 27 17.449 -7.930 -25.187 1.00 5.11 O ATOM 379 CB VAL A 27 18.038 -8.609 -22.357 1.00 22.44 C ATOM 380 CG1 VAL A 27 17.806 -7.253 -21.709 1.00 25.23 C ATOM 381 CG2 VAL A 27 18.386 -9.657 -21.311 1.00 62.52 C ATOM 0 H VAL A 27 17.865 -10.654 -23.976 1.00 42.54 H new ATOM 0 HA VAL A 27 15.924 -9.018 -22.511 1.00 31.42 H new ATOM 0 HB VAL A 27 18.881 -8.518 -23.041 1.00 22.44 H new ATOM 0 HG11 VAL A 27 18.692 -6.963 -21.145 1.00 25.23 H new ATOM 0 HG12 VAL A 27 17.608 -6.510 -22.481 1.00 25.23 H new ATOM 0 HG13 VAL A 27 16.951 -7.313 -21.036 1.00 25.23 H new ATOM 0 HG21 VAL A 27 19.264 -9.335 -20.752 1.00 62.52 H new ATOM 0 HG22 VAL A 27 17.546 -9.782 -20.628 1.00 62.52 H new ATOM 0 HG23 VAL A 27 18.597 -10.606 -21.803 1.00 62.52 H new ATOM 391 N ALA A 28 15.443 -7.400 -24.320 1.00 52.11 N ATOM 392 CA ALA A 28 15.122 -6.438 -25.367 1.00 4.43 C ATOM 393 C ALA A 28 15.657 -5.052 -25.022 1.00 52.32 C ATOM 394 O ALA A 28 15.665 -4.652 -23.859 1.00 21.44 O ATOM 395 CB ALA A 28 13.617 -6.384 -25.591 1.00 32.21 C ATOM 0 H ALA A 28 14.720 -7.505 -23.608 1.00 52.11 H new ATOM 0 HA ALA A 28 15.604 -6.766 -26.288 1.00 4.43 H new ATOM 0 HB1 ALA A 28 13.392 -5.662 -26.375 1.00 32.21 H new ATOM 0 HB2 ALA A 28 13.258 -7.369 -25.890 1.00 32.21 H new ATOM 0 HB3 ALA A 28 13.122 -6.083 -24.668 1.00 32.21 H new ATOM 401 N ASN A 29 16.104 -4.325 -26.041 1.00 24.33 N ATOM 402 CA ASN A 29 16.642 -2.984 -25.845 1.00 12.40 C ATOM 403 C ASN A 29 16.029 -2.001 -26.837 1.00 53.00 C ATOM 404 O ASN A 29 16.683 -1.055 -27.275 1.00 53.43 O ATOM 405 CB ASN A 29 18.165 -2.996 -25.998 1.00 15.10 C ATOM 406 CG ASN A 29 18.851 -3.768 -24.888 1.00 35.01 C ATOM 407 OD1 ASN A 29 19.012 -4.986 -24.970 1.00 43.13 O ATOM 408 ND2 ASN A 29 19.260 -3.060 -23.840 1.00 71.51 N ATOM 0 H ASN A 29 16.104 -4.642 -27.010 1.00 24.33 H new ATOM 0 HA ASN A 29 16.386 -2.661 -24.836 1.00 12.40 H new ATOM 0 HB2 ASN A 29 18.427 -3.437 -26.960 1.00 15.10 H new ATOM 0 HB3 ASN A 29 18.535 -1.971 -26.006 1.00 15.10 H new ATOM 0 HD21 ASN A 29 19.728 -3.525 -23.062 1.00 71.51 H new ATOM 0 HD22 ASN A 29 19.106 -2.052 -23.814 1.00 71.51 H new ATOM 415 N ASN A 30 14.767 -2.232 -27.185 1.00 62.22 N ATOM 416 CA ASN A 30 14.063 -1.366 -28.126 1.00 61.20 C ATOM 417 C ASN A 30 12.630 -1.114 -27.665 1.00 24.34 C ATOM 418 O ASN A 30 11.676 -1.575 -28.288 1.00 13.02 O ATOM 419 CB ASN A 30 14.059 -1.992 -29.522 1.00 65.51 C ATOM 420 CG ASN A 30 15.427 -1.956 -30.175 1.00 61.51 C ATOM 421 OD1 ASN A 30 15.979 -0.885 -30.426 1.00 21.23 O ATOM 422 ND2 ASN A 30 15.980 -3.131 -30.455 1.00 40.41 N ATOM 0 H ASN A 30 14.211 -3.010 -26.830 1.00 62.22 H new ATOM 0 HA ASN A 30 14.587 -0.411 -28.165 1.00 61.20 H new ATOM 0 HB2 ASN A 30 13.719 -3.025 -29.453 1.00 65.51 H new ATOM 0 HB3 ASN A 30 13.344 -1.463 -30.152 1.00 65.51 H new ATOM 0 HD21 ASN A 30 16.899 -3.170 -30.896 1.00 40.41 H new ATOM 0 HD22 ASN A 30 15.486 -3.994 -30.229 1.00 40.41 H new ATOM 429 N GLY A 31 12.489 -0.374 -26.569 1.00 34.11 N ATOM 430 CA GLY A 31 11.170 -0.072 -26.043 1.00 23.11 C ATOM 431 C GLY A 31 10.563 -1.242 -25.294 1.00 61.24 C ATOM 432 O GLY A 31 10.412 -1.196 -24.073 1.00 71.04 O ATOM 0 H GLY A 31 13.264 0.021 -26.036 1.00 34.11 H new ATOM 0 HA2 GLY A 31 11.236 0.788 -25.376 1.00 23.11 H new ATOM 0 HA3 GLY A 31 10.511 0.211 -26.864 1.00 23.11 H new ATOM 436 N ASP A 32 10.210 -2.292 -26.028 1.00 34.11 N ATOM 437 CA ASP A 32 9.615 -3.479 -25.426 1.00 72.14 C ATOM 438 C ASP A 32 9.999 -4.733 -26.204 1.00 74.43 C ATOM 439 O ASP A 32 10.317 -5.768 -25.617 1.00 61.05 O ATOM 440 CB ASP A 32 8.093 -3.342 -25.375 1.00 43.52 C ATOM 441 CG ASP A 32 7.396 -4.674 -25.176 1.00 34.32 C ATOM 442 OD1 ASP A 32 7.898 -5.492 -24.376 1.00 73.01 O ATOM 443 OD2 ASP A 32 6.350 -4.899 -25.818 1.00 21.21 O ATOM 0 H ASP A 32 10.326 -2.345 -27.040 1.00 34.11 H new ATOM 0 HA ASP A 32 9.998 -3.572 -24.410 1.00 72.14 H new ATOM 0 HB2 ASP A 32 7.819 -2.668 -24.564 1.00 43.52 H new ATOM 0 HB3 ASP A 32 7.741 -2.886 -26.301 1.00 43.52 H new ATOM 448 N CYS A 33 9.964 -4.636 -27.529 1.00 31.41 N ATOM 449 CA CYS A 33 10.307 -5.763 -28.389 1.00 45.30 C ATOM 450 C CYS A 33 11.260 -5.330 -29.498 1.00 23.32 C ATOM 451 O CYS A 33 11.228 -4.185 -29.947 1.00 61.31 O ATOM 452 CB CYS A 33 9.042 -6.371 -28.996 1.00 23.20 C ATOM 453 SG CYS A 33 7.817 -5.141 -29.549 1.00 52.20 S ATOM 0 H CYS A 33 9.701 -3.788 -28.031 1.00 31.41 H new ATOM 0 HA CYS A 33 10.806 -6.515 -27.779 1.00 45.30 H new ATOM 0 HB2 CYS A 33 9.323 -6.995 -29.844 1.00 23.20 H new ATOM 0 HB3 CYS A 33 8.577 -7.025 -28.259 1.00 23.20 H new ATOM 459 N GLY A 34 12.108 -6.255 -29.937 1.00 51.14 N ATOM 460 CA GLY A 34 13.058 -5.949 -30.991 1.00 52.25 C ATOM 461 C GLY A 34 14.388 -6.651 -30.795 1.00 3.32 C ATOM 462 O GLY A 34 14.678 -7.149 -29.706 1.00 64.52 O ATOM 0 H GLY A 34 12.154 -7.210 -29.582 1.00 51.14 H new ATOM 0 HA2 GLY A 34 12.635 -6.240 -31.953 1.00 52.25 H new ATOM 0 HA3 GLY A 34 13.221 -4.872 -31.027 1.00 52.25 H new ATOM 466 N GLN A 35 15.196 -6.692 -31.849 1.00 71.11 N ATOM 467 CA GLN A 35 16.500 -7.340 -31.786 1.00 15.12 C ATOM 468 C GLN A 35 17.295 -6.849 -30.581 1.00 53.25 C ATOM 469 O GLN A 35 17.385 -5.648 -30.331 1.00 15.34 O ATOM 470 CB GLN A 35 17.286 -7.076 -33.072 1.00 70.20 C ATOM 471 CG GLN A 35 17.627 -5.610 -33.287 1.00 41.12 C ATOM 472 CD GLN A 35 19.060 -5.283 -32.914 1.00 14.43 C ATOM 473 OE1 GLN A 35 19.316 -4.625 -31.906 1.00 33.23 O ATOM 474 NE2 GLN A 35 20.003 -5.743 -33.728 1.00 62.35 N ATOM 0 H GLN A 35 14.971 -6.284 -32.756 1.00 71.11 H new ATOM 0 HA GLN A 35 16.340 -8.413 -31.679 1.00 15.12 H new ATOM 0 HB2 GLN A 35 18.209 -7.655 -33.049 1.00 70.20 H new ATOM 0 HB3 GLN A 35 16.706 -7.434 -33.922 1.00 70.20 H new ATOM 0 HG2 GLN A 35 17.460 -5.352 -34.333 1.00 41.12 H new ATOM 0 HG3 GLN A 35 16.952 -4.993 -32.694 1.00 41.12 H new ATOM 0 HE21 GLN A 35 19.745 -6.285 -34.553 1.00 62.35 H new ATOM 0 HE22 GLN A 35 20.985 -5.555 -33.528 1.00 62.35 H new ATOM 483 N GLY A 36 17.870 -7.788 -29.835 1.00 20.12 N ATOM 484 CA GLY A 36 18.649 -7.432 -28.664 1.00 34.03 C ATOM 485 C GLY A 36 19.736 -8.444 -28.360 1.00 14.11 C ATOM 486 O GLY A 36 20.417 -8.923 -29.265 1.00 33.41 O ATOM 0 H GLY A 36 17.810 -8.789 -30.021 1.00 20.12 H new ATOM 0 HA2 GLY A 36 19.102 -6.452 -28.817 1.00 34.03 H new ATOM 0 HA3 GLY A 36 17.986 -7.346 -27.803 1.00 34.03 H new ATOM 490 N MET A 37 19.898 -8.769 -27.081 1.00 54.14 N ATOM 491 CA MET A 37 20.910 -9.732 -26.661 1.00 2.32 C ATOM 492 C MET A 37 20.336 -10.713 -25.643 1.00 63.24 C ATOM 493 O MET A 37 19.228 -10.524 -25.140 1.00 61.40 O ATOM 494 CB MET A 37 22.117 -9.005 -26.064 1.00 15.51 C ATOM 495 CG MET A 37 23.443 -9.430 -26.671 1.00 10.31 C ATOM 496 SD MET A 37 23.561 -9.033 -28.426 1.00 60.11 S ATOM 497 CE MET A 37 23.935 -7.283 -28.353 1.00 42.11 C ATOM 0 H MET A 37 19.343 -8.380 -26.319 1.00 54.14 H new ATOM 0 HA MET A 37 21.231 -10.293 -27.538 1.00 2.32 H new ATOM 0 HB2 MET A 37 21.990 -7.932 -26.204 1.00 15.51 H new ATOM 0 HB3 MET A 37 22.144 -9.185 -24.989 1.00 15.51 H new ATOM 0 HG2 MET A 37 24.257 -8.940 -26.136 1.00 10.31 H new ATOM 0 HG3 MET A 37 23.573 -10.504 -26.536 1.00 10.31 H new ATOM 0 HE1 MET A 37 23.295 -6.745 -29.052 1.00 42.11 H new ATOM 0 HE2 MET A 37 23.759 -6.915 -27.342 1.00 42.11 H new ATOM 0 HE3 MET A 37 24.979 -7.123 -28.620 1.00 42.11 H new ATOM 507 N ARG A 38 21.097 -11.761 -25.345 1.00 62.24 N ATOM 508 CA ARG A 38 20.664 -12.773 -24.388 1.00 24.30 C ATOM 509 C ARG A 38 21.848 -13.310 -23.591 1.00 3.22 C ATOM 510 O ARG A 38 22.955 -13.436 -24.114 1.00 4.20 O ATOM 511 CB ARG A 38 19.961 -13.922 -25.113 1.00 44.02 C ATOM 512 CG ARG A 38 20.002 -15.237 -24.353 1.00 35.54 C ATOM 513 CD ARG A 38 18.912 -16.187 -24.824 1.00 55.44 C ATOM 514 NE ARG A 38 19.356 -17.022 -25.937 1.00 53.44 N ATOM 515 CZ ARG A 38 18.526 -17.630 -26.776 1.00 54.31 C ATOM 516 NH1 ARG A 38 17.214 -17.498 -26.629 1.00 61.44 N ATOM 517 NH2 ARG A 38 19.005 -18.373 -27.765 1.00 21.44 N ATOM 0 H ARG A 38 22.016 -11.932 -25.752 1.00 62.24 H new ATOM 0 HA ARG A 38 19.964 -12.306 -23.695 1.00 24.30 H new ATOM 0 HB2 ARG A 38 18.921 -13.647 -25.290 1.00 44.02 H new ATOM 0 HB3 ARG A 38 20.424 -14.062 -26.090 1.00 44.02 H new ATOM 0 HG2 ARG A 38 20.977 -15.705 -24.487 1.00 35.54 H new ATOM 0 HG3 ARG A 38 19.884 -15.046 -23.286 1.00 35.54 H new ATOM 0 HD2 ARG A 38 18.603 -16.823 -23.995 1.00 55.44 H new ATOM 0 HD3 ARG A 38 18.037 -15.612 -25.129 1.00 55.44 H new ATOM 0 HE ARG A 38 20.359 -17.145 -26.077 1.00 53.44 H new ATOM 0 HH11 ARG A 38 16.841 -16.928 -25.870 1.00 61.44 H new ATOM 0 HH12 ARG A 38 16.579 -17.966 -27.275 1.00 61.44 H new ATOM 0 HH21 ARG A 38 20.013 -18.478 -27.882 1.00 21.44 H new ATOM 0 HH22 ARG A 38 18.366 -18.839 -28.408 1.00 21.44 H new ATOM 531 N GLU A 39 21.607 -13.624 -22.323 1.00 32.14 N ATOM 532 CA GLU A 39 22.655 -14.146 -21.452 1.00 42.45 C ATOM 533 C GLU A 39 22.321 -15.560 -20.986 1.00 60.12 C ATOM 534 O GLU A 39 21.332 -15.779 -20.289 1.00 25.25 O ATOM 535 CB GLU A 39 22.846 -13.231 -20.242 1.00 62.30 C ATOM 536 CG GLU A 39 23.957 -12.209 -20.420 1.00 62.12 C ATOM 537 CD GLU A 39 23.474 -10.784 -20.246 1.00 3.51 C ATOM 538 OE1 GLU A 39 22.719 -10.302 -21.117 1.00 34.05 O ATOM 539 OE2 GLU A 39 23.848 -10.148 -19.238 1.00 53.01 O ATOM 0 H GLU A 39 20.696 -13.526 -21.875 1.00 32.14 H new ATOM 0 HA GLU A 39 23.583 -14.180 -22.023 1.00 42.45 H new ATOM 0 HB2 GLU A 39 21.911 -12.708 -20.042 1.00 62.30 H new ATOM 0 HB3 GLU A 39 23.063 -13.842 -19.366 1.00 62.30 H new ATOM 0 HG2 GLU A 39 24.749 -12.410 -19.699 1.00 62.12 H new ATOM 0 HG3 GLU A 39 24.393 -12.322 -21.413 1.00 62.12 H new ATOM 546 N GLY A 40 23.154 -16.519 -21.380 1.00 61.20 N ATOM 547 CA GLY A 40 22.932 -17.900 -20.995 1.00 63.11 C ATOM 548 C GLY A 40 23.882 -18.360 -19.908 1.00 11.53 C ATOM 549 O GLY A 40 25.012 -17.879 -19.817 1.00 15.14 O ATOM 0 H GLY A 40 23.979 -16.363 -21.959 1.00 61.20 H new ATOM 0 HA2 GLY A 40 21.905 -18.016 -20.649 1.00 63.11 H new ATOM 0 HA3 GLY A 40 23.048 -18.541 -21.869 1.00 63.11 H new ATOM 553 N THR A 41 23.424 -19.291 -19.077 1.00 41.22 N ATOM 554 CA THR A 41 24.238 -19.814 -17.988 1.00 22.44 C ATOM 555 C THR A 41 24.390 -21.327 -18.092 1.00 13.42 C ATOM 556 O THR A 41 23.413 -22.046 -18.300 1.00 52.45 O ATOM 557 CB THR A 41 23.635 -19.461 -16.615 1.00 74.12 C ATOM 558 OG1 THR A 41 24.363 -20.123 -15.576 1.00 14.14 O ATOM 559 CG2 THR A 41 22.168 -19.864 -16.550 1.00 24.32 C ATOM 0 H THR A 41 22.491 -19.699 -19.138 1.00 41.22 H new ATOM 0 HA THR A 41 25.219 -19.347 -18.075 1.00 22.44 H new ATOM 0 HB THR A 41 23.706 -18.382 -16.477 1.00 74.12 H new ATOM 0 HG1 THR A 41 23.975 -19.892 -14.706 1.00 14.14 H new ATOM 0 HG21 THR A 41 21.763 -19.605 -15.572 1.00 24.32 H new ATOM 0 HG22 THR A 41 21.611 -19.337 -17.324 1.00 24.32 H new ATOM 0 HG23 THR A 41 22.079 -20.939 -16.707 1.00 24.32 H new ATOM 567 N CYS A 42 25.621 -21.805 -17.945 1.00 12.53 N ATOM 568 CA CYS A 42 25.901 -23.233 -18.020 1.00 53.15 C ATOM 569 C CYS A 42 26.767 -23.681 -16.847 1.00 31.34 C ATOM 570 O CYS A 42 27.938 -23.315 -16.751 1.00 21.01 O ATOM 571 CB CYS A 42 26.598 -23.568 -19.341 1.00 25.13 C ATOM 572 SG CYS A 42 27.230 -25.275 -19.436 1.00 64.23 S ATOM 0 H CYS A 42 26.441 -21.223 -17.773 1.00 12.53 H new ATOM 0 HA CYS A 42 24.952 -23.767 -17.971 1.00 53.15 H new ATOM 0 HB2 CYS A 42 25.898 -23.405 -20.160 1.00 25.13 H new ATOM 0 HB3 CYS A 42 27.427 -22.876 -19.488 1.00 25.13 H new ATOM 0 HG CYS A 42 27.800 -25.463 -20.589 1.00 64.23 H new ATOM 578 N ASN A 43 26.182 -24.477 -15.956 1.00 23.11 N ATOM 579 CA ASN A 43 26.900 -24.973 -14.788 1.00 73.52 C ATOM 580 C ASN A 43 27.289 -23.829 -13.859 1.00 62.33 C ATOM 581 O ASN A 43 26.636 -23.591 -12.844 1.00 52.01 O ATOM 582 CB ASN A 43 28.152 -25.741 -15.221 1.00 62.15 C ATOM 583 CG ASN A 43 27.821 -26.958 -16.064 1.00 63.44 C ATOM 584 OD1 ASN A 43 26.722 -27.506 -15.978 1.00 40.13 O ATOM 585 ND2 ASN A 43 28.773 -27.386 -16.885 1.00 14.24 N ATOM 0 H ASN A 43 25.214 -24.791 -16.021 1.00 23.11 H new ATOM 0 HA ASN A 43 26.236 -25.647 -14.246 1.00 73.52 H new ATOM 0 HB2 ASN A 43 28.805 -25.077 -15.787 1.00 62.15 H new ATOM 0 HB3 ASN A 43 28.706 -26.055 -14.337 1.00 62.15 H new ATOM 0 HD21 ASN A 43 28.608 -28.200 -17.477 1.00 14.24 H new ATOM 0 HD22 ASN A 43 29.669 -26.901 -16.924 1.00 14.24 H new ATOM 592 N GLU A 44 28.357 -23.121 -14.216 1.00 61.13 N ATOM 593 CA GLU A 44 28.832 -22.001 -13.413 1.00 24.34 C ATOM 594 C GLU A 44 29.499 -20.945 -14.292 1.00 70.05 C ATOM 595 O GLU A 44 30.414 -20.249 -13.857 1.00 44.21 O ATOM 596 CB GLU A 44 29.817 -22.487 -12.349 1.00 32.34 C ATOM 597 CG GLU A 44 30.898 -23.407 -12.894 1.00 53.24 C ATOM 598 CD GLU A 44 32.287 -23.010 -12.435 1.00 31.33 C ATOM 599 OE1 GLU A 44 32.855 -22.061 -13.013 1.00 62.44 O ATOM 600 OE2 GLU A 44 32.806 -23.650 -11.497 1.00 2.53 O ATOM 0 H GLU A 44 28.908 -23.303 -15.055 1.00 61.13 H new ATOM 0 HA GLU A 44 27.970 -21.550 -12.921 1.00 24.34 H new ATOM 0 HB2 GLU A 44 30.289 -21.623 -11.881 1.00 32.34 H new ATOM 0 HB3 GLU A 44 29.266 -23.011 -11.568 1.00 32.34 H new ATOM 0 HG2 GLU A 44 30.693 -24.430 -12.577 1.00 53.24 H new ATOM 0 HG3 GLU A 44 30.863 -23.398 -13.983 1.00 53.24 H new ATOM 607 N GLN A 45 29.030 -20.836 -15.532 1.00 4.13 N ATOM 608 CA GLN A 45 29.582 -19.867 -16.473 1.00 11.32 C ATOM 609 C GLN A 45 28.468 -19.125 -17.203 1.00 41.33 C ATOM 610 O GLN A 45 27.307 -19.537 -17.173 1.00 63.10 O ATOM 611 CB GLN A 45 30.491 -20.567 -17.483 1.00 23.32 C ATOM 612 CG GLN A 45 31.454 -21.559 -16.850 1.00 12.13 C ATOM 613 CD GLN A 45 32.358 -22.226 -17.868 1.00 12.10 C ATOM 614 OE1 GLN A 45 31.912 -22.626 -18.942 1.00 72.45 O ATOM 615 NE2 GLN A 45 33.637 -22.348 -17.533 1.00 25.01 N ATOM 0 H GLN A 45 28.271 -21.405 -15.907 1.00 4.13 H new ATOM 0 HA GLN A 45 30.169 -19.142 -15.909 1.00 11.32 H new ATOM 0 HB2 GLN A 45 29.874 -21.089 -18.214 1.00 23.32 H new ATOM 0 HB3 GLN A 45 31.063 -19.815 -18.027 1.00 23.32 H new ATOM 0 HG2 GLN A 45 32.065 -21.044 -16.109 1.00 12.13 H new ATOM 0 HG3 GLN A 45 30.886 -22.323 -16.319 1.00 12.13 H new ATOM 0 HE21 GLN A 45 33.963 -22.001 -16.631 1.00 25.01 H new ATOM 0 HE22 GLN A 45 34.293 -22.788 -18.178 1.00 25.01 H new ATOM 624 N THR A 46 28.827 -18.025 -17.860 1.00 1.45 N ATOM 625 CA THR A 46 27.859 -17.224 -18.597 1.00 12.44 C ATOM 626 C THR A 46 28.226 -17.138 -20.072 1.00 74.33 C ATOM 627 O THR A 46 29.388 -17.305 -20.444 1.00 53.11 O ATOM 628 CB THR A 46 27.756 -15.798 -18.022 1.00 10.14 C ATOM 629 OG1 THR A 46 29.000 -15.420 -17.422 1.00 62.20 O ATOM 630 CG2 THR A 46 26.642 -15.711 -16.987 1.00 65.55 C ATOM 0 H THR A 46 29.782 -17.669 -17.896 1.00 1.45 H new ATOM 0 HA THR A 46 26.894 -17.721 -18.494 1.00 12.44 H new ATOM 0 HB THR A 46 27.526 -15.116 -18.841 1.00 10.14 H new ATOM 0 HG1 THR A 46 28.926 -14.512 -17.061 1.00 62.20 H new ATOM 0 HG21 THR A 46 26.588 -14.695 -16.595 1.00 65.55 H new ATOM 0 HG22 THR A 46 25.691 -15.971 -17.453 1.00 65.55 H new ATOM 0 HG23 THR A 46 26.848 -16.404 -16.171 1.00 65.55 H new ATOM 638 N ARG A 47 27.229 -16.877 -20.912 1.00 43.22 N ATOM 639 CA ARG A 47 27.448 -16.770 -22.349 1.00 61.31 C ATOM 640 C ARG A 47 26.498 -15.750 -22.969 1.00 45.31 C ATOM 641 O ARG A 47 25.454 -15.431 -22.400 1.00 42.01 O ATOM 642 CB ARG A 47 27.258 -18.133 -23.019 1.00 64.13 C ATOM 643 CG ARG A 47 27.709 -18.167 -24.470 1.00 10.15 C ATOM 644 CD ARG A 47 29.170 -17.769 -24.608 1.00 32.11 C ATOM 645 NE ARG A 47 29.848 -18.532 -25.653 1.00 4.53 N ATOM 646 CZ ARG A 47 31.036 -18.204 -26.149 1.00 1.21 C ATOM 647 NH1 ARG A 47 31.674 -17.132 -25.697 1.00 42.03 N ATOM 648 NH2 ARG A 47 31.588 -18.947 -27.099 1.00 24.15 N ATOM 0 H ARG A 47 26.262 -16.736 -20.621 1.00 43.22 H new ATOM 0 HA ARG A 47 28.472 -16.433 -22.511 1.00 61.31 H new ATOM 0 HB2 ARG A 47 27.813 -18.885 -22.457 1.00 64.13 H new ATOM 0 HB3 ARG A 47 26.205 -18.410 -22.968 1.00 64.13 H new ATOM 0 HG2 ARG A 47 27.564 -19.169 -24.874 1.00 10.15 H new ATOM 0 HG3 ARG A 47 27.089 -17.492 -25.061 1.00 10.15 H new ATOM 0 HD2 ARG A 47 29.236 -16.705 -24.835 1.00 32.11 H new ATOM 0 HD3 ARG A 47 29.680 -17.924 -23.657 1.00 32.11 H new ATOM 0 HE ARG A 47 29.384 -19.362 -26.022 1.00 4.53 H new ATOM 0 HH11 ARG A 47 31.252 -16.558 -24.967 1.00 42.03 H new ATOM 0 HH12 ARG A 47 32.586 -16.882 -26.079 1.00 42.03 H new ATOM 0 HH21 ARG A 47 31.100 -19.771 -27.450 1.00 24.15 H new ATOM 0 HH22 ARG A 47 32.500 -18.694 -27.479 1.00 24.15 H new ATOM 662 N LYS A 48 26.866 -15.241 -24.140 1.00 50.11 N ATOM 663 CA LYS A 48 26.047 -14.258 -24.840 1.00 33.44 C ATOM 664 C LYS A 48 25.776 -14.697 -26.275 1.00 1.14 C ATOM 665 O LYS A 48 26.635 -15.297 -26.924 1.00 0.00 O ATOM 666 CB LYS A 48 26.738 -12.892 -24.835 1.00 32.33 C ATOM 667 CG LYS A 48 28.237 -12.970 -24.601 1.00 34.40 C ATOM 668 CD LYS A 48 28.876 -11.592 -24.608 1.00 5.31 C ATOM 669 CE LYS A 48 29.201 -11.120 -23.200 1.00 52.13 C ATOM 670 NZ LYS A 48 30.668 -10.993 -22.981 1.00 45.24 N ATOM 0 H LYS A 48 27.727 -15.493 -24.625 1.00 50.11 H new ATOM 0 HA LYS A 48 25.094 -14.179 -24.317 1.00 33.44 H new ATOM 0 HB2 LYS A 48 26.553 -12.397 -25.788 1.00 32.33 H new ATOM 0 HB3 LYS A 48 26.290 -12.270 -24.060 1.00 32.33 H new ATOM 0 HG2 LYS A 48 28.432 -13.457 -23.646 1.00 34.40 H new ATOM 0 HG3 LYS A 48 28.695 -13.588 -25.373 1.00 34.40 H new ATOM 0 HD2 LYS A 48 29.788 -11.616 -25.204 1.00 5.31 H new ATOM 0 HD3 LYS A 48 28.202 -10.880 -25.085 1.00 5.31 H new ATOM 0 HE2 LYS A 48 28.723 -10.157 -23.021 1.00 52.13 H new ATOM 0 HE3 LYS A 48 28.786 -11.822 -22.477 1.00 52.13 H new ATOM 0 HZ1 LYS A 48 30.847 -10.669 -22.009 1.00 45.24 H new ATOM 0 HZ2 LYS A 48 31.122 -11.917 -23.127 1.00 45.24 H new ATOM 0 HZ3 LYS A 48 31.061 -10.304 -23.654 1.00 45.24 H new ATOM 684 N VAL A 49 24.579 -14.394 -26.765 1.00 62.34 N ATOM 685 CA VAL A 49 24.197 -14.756 -28.125 1.00 41.14 C ATOM 686 C VAL A 49 23.227 -13.736 -28.714 1.00 61.33 C ATOM 687 O VAL A 49 22.380 -13.188 -28.007 1.00 71.25 O ATOM 688 CB VAL A 49 23.547 -16.152 -28.174 1.00 51.35 C ATOM 689 CG1 VAL A 49 24.473 -17.193 -27.564 1.00 24.13 C ATOM 690 CG2 VAL A 49 22.204 -16.139 -27.461 1.00 1.44 C ATOM 0 H VAL A 49 23.857 -13.899 -26.241 1.00 62.34 H new ATOM 0 HA VAL A 49 25.112 -14.768 -28.717 1.00 41.14 H new ATOM 0 HB VAL A 49 23.376 -16.418 -29.217 1.00 51.35 H new ATOM 0 HG11 VAL A 49 23.998 -18.173 -27.607 1.00 24.13 H new ATOM 0 HG12 VAL A 49 25.409 -17.219 -28.122 1.00 24.13 H new ATOM 0 HG13 VAL A 49 24.677 -16.934 -26.525 1.00 24.13 H new ATOM 0 HG21 VAL A 49 21.759 -17.133 -27.505 1.00 1.44 H new ATOM 0 HG22 VAL A 49 22.348 -15.852 -26.419 1.00 1.44 H new ATOM 0 HG23 VAL A 49 21.541 -15.423 -27.947 1.00 1.44 H new ATOM 700 N LYS A 50 23.357 -13.485 -30.011 1.00 41.15 N ATOM 701 CA LYS A 50 22.492 -12.532 -30.697 1.00 65.35 C ATOM 702 C LYS A 50 21.079 -13.090 -30.849 1.00 22.52 C ATOM 703 O LYS A 50 20.875 -14.121 -31.492 1.00 71.11 O ATOM 704 CB LYS A 50 23.067 -12.188 -32.073 1.00 63.43 C ATOM 705 CG LYS A 50 24.263 -11.254 -32.016 1.00 45.21 C ATOM 706 CD LYS A 50 23.834 -9.797 -32.062 1.00 42.53 C ATOM 707 CE LYS A 50 24.925 -8.878 -31.536 1.00 41.42 C ATOM 708 NZ LYS A 50 26.059 -8.760 -32.493 1.00 32.24 N ATOM 0 H LYS A 50 24.054 -13.928 -30.610 1.00 41.15 H new ATOM 0 HA LYS A 50 22.443 -11.625 -30.094 1.00 65.35 H new ATOM 0 HB2 LYS A 50 23.360 -13.110 -32.576 1.00 63.43 H new ATOM 0 HB3 LYS A 50 22.286 -11.729 -32.679 1.00 63.43 H new ATOM 0 HG2 LYS A 50 24.828 -11.439 -31.102 1.00 45.21 H new ATOM 0 HG3 LYS A 50 24.931 -11.464 -32.852 1.00 45.21 H new ATOM 0 HD2 LYS A 50 23.588 -9.521 -33.087 1.00 42.53 H new ATOM 0 HD3 LYS A 50 22.928 -9.664 -31.470 1.00 42.53 H new ATOM 0 HE2 LYS A 50 24.507 -7.890 -31.345 1.00 41.42 H new ATOM 0 HE3 LYS A 50 25.292 -9.258 -30.583 1.00 41.42 H new ATOM 0 HZ1 LYS A 50 26.782 -8.125 -32.098 1.00 32.24 H new ATOM 0 HZ2 LYS A 50 26.475 -9.699 -32.656 1.00 32.24 H new ATOM 0 HZ3 LYS A 50 25.714 -8.373 -33.394 1.00 32.24 H new ATOM 722 N CYS A 51 20.110 -12.402 -30.257 1.00 32.53 N ATOM 723 CA CYS A 51 18.717 -12.828 -30.327 1.00 73.21 C ATOM 724 C CYS A 51 17.788 -11.628 -30.475 1.00 14.25 C ATOM 725 O CYS A 51 18.220 -10.479 -30.373 1.00 42.31 O ATOM 726 CB CYS A 51 18.342 -13.627 -29.077 1.00 45.40 C ATOM 727 SG CYS A 51 17.926 -12.595 -27.634 1.00 33.24 S ATOM 0 H CYS A 51 20.263 -11.547 -29.723 1.00 32.53 H new ATOM 0 HA CYS A 51 18.602 -13.464 -31.204 1.00 73.21 H new ATOM 0 HB2 CYS A 51 17.491 -14.268 -29.310 1.00 45.40 H new ATOM 0 HB3 CYS A 51 19.173 -14.282 -28.815 1.00 45.40 H new ATOM 733 N ARG A 52 16.510 -11.901 -30.715 1.00 3.22 N ATOM 734 CA ARG A 52 15.520 -10.844 -30.878 1.00 64.22 C ATOM 735 C ARG A 52 14.241 -11.173 -30.113 1.00 35.04 C ATOM 736 O ARG A 52 13.826 -12.330 -30.045 1.00 61.54 O ATOM 737 CB ARG A 52 15.201 -10.638 -32.361 1.00 31.13 C ATOM 738 CG ARG A 52 14.190 -11.632 -32.908 1.00 71.43 C ATOM 739 CD ARG A 52 14.710 -13.059 -32.826 1.00 40.20 C ATOM 740 NE ARG A 52 14.327 -13.850 -33.991 1.00 30.11 N ATOM 741 CZ ARG A 52 14.908 -13.736 -35.180 1.00 65.22 C ATOM 742 NH1 ARG A 52 15.893 -12.868 -35.360 1.00 23.44 N ATOM 743 NH2 ARG A 52 14.504 -14.492 -36.194 1.00 43.42 N ATOM 0 H ARG A 52 16.136 -12.846 -30.801 1.00 3.22 H new ATOM 0 HA ARG A 52 15.939 -9.923 -30.472 1.00 64.22 H new ATOM 0 HB2 ARG A 52 14.819 -9.627 -32.505 1.00 31.13 H new ATOM 0 HB3 ARG A 52 16.123 -10.716 -32.937 1.00 31.13 H new ATOM 0 HG2 ARG A 52 13.258 -11.550 -32.348 1.00 71.43 H new ATOM 0 HG3 ARG A 52 13.961 -11.386 -33.945 1.00 71.43 H new ATOM 0 HD2 ARG A 52 15.796 -13.044 -32.740 1.00 40.20 H new ATOM 0 HD3 ARG A 52 14.325 -13.534 -31.923 1.00 40.20 H new ATOM 0 HE ARG A 52 13.572 -14.528 -33.887 1.00 30.11 H new ATOM 0 HH11 ARG A 52 16.207 -12.285 -34.584 1.00 23.44 H new ATOM 0 HH12 ARG A 52 16.337 -12.783 -36.274 1.00 23.44 H new ATOM 0 HH21 ARG A 52 13.746 -15.162 -36.061 1.00 43.42 H new ATOM 0 HH22 ARG A 52 14.951 -14.403 -37.106 1.00 43.42 H new ATOM 757 N VAL A 53 13.622 -10.148 -29.537 1.00 3.14 N ATOM 758 CA VAL A 53 12.391 -10.328 -28.776 1.00 72.24 C ATOM 759 C VAL A 53 11.191 -9.772 -29.534 1.00 1.50 C ATOM 760 O VAL A 53 10.835 -8.599 -29.409 1.00 13.42 O ATOM 761 CB VAL A 53 12.477 -9.644 -27.398 1.00 44.12 C ATOM 762 CG1 VAL A 53 11.303 -10.055 -26.523 1.00 63.32 C ATOM 763 CG2 VAL A 53 13.799 -9.973 -26.722 1.00 22.55 C ATOM 0 H VAL A 53 13.952 -9.184 -29.583 1.00 3.14 H new ATOM 0 HA VAL A 53 12.261 -11.401 -28.632 1.00 72.24 H new ATOM 0 HB VAL A 53 12.429 -8.565 -27.544 1.00 44.12 H new ATOM 0 HG11 VAL A 53 11.381 -9.562 -25.554 1.00 63.32 H new ATOM 0 HG12 VAL A 53 10.370 -9.762 -27.005 1.00 63.32 H new ATOM 0 HG13 VAL A 53 11.315 -11.136 -26.382 1.00 63.32 H new ATOM 0 HG21 VAL A 53 13.843 -9.482 -25.750 1.00 22.55 H new ATOM 0 HG22 VAL A 53 13.880 -11.052 -26.587 1.00 22.55 H new ATOM 0 HG23 VAL A 53 14.623 -9.622 -27.343 1.00 22.55 H new ATOM 773 N PRO A 54 10.549 -10.633 -30.338 1.00 2.03 N ATOM 774 CA PRO A 54 9.378 -10.250 -31.132 1.00 12.43 C ATOM 775 C PRO A 54 8.150 -9.992 -30.265 1.00 54.13 C ATOM 776 O PRO A 54 7.972 -10.619 -29.220 1.00 43.20 O ATOM 777 CB PRO A 54 9.150 -11.464 -32.035 1.00 42.44 C ATOM 778 CG PRO A 54 9.746 -12.608 -31.290 1.00 62.41 C ATOM 779 CD PRO A 54 10.918 -12.044 -30.534 1.00 43.14 C ATOM 0 HA PRO A 54 9.541 -9.321 -31.678 1.00 12.43 H new ATOM 0 HB2 PRO A 54 8.088 -11.624 -32.223 1.00 42.44 H new ATOM 0 HB3 PRO A 54 9.629 -11.331 -33.005 1.00 42.44 H new ATOM 0 HG2 PRO A 54 9.019 -13.051 -30.609 1.00 62.41 H new ATOM 0 HG3 PRO A 54 10.065 -13.395 -31.973 1.00 62.41 H new ATOM 0 HD2 PRO A 54 11.067 -12.556 -29.584 1.00 43.14 H new ATOM 0 HD3 PRO A 54 11.845 -12.142 -31.098 1.00 43.14 H new ATOM 787 N CYS A 55 7.303 -9.066 -30.705 1.00 33.14 N ATOM 788 CA CYS A 55 6.091 -8.727 -29.971 1.00 25.41 C ATOM 789 C CYS A 55 4.961 -9.694 -30.307 1.00 61.33 C ATOM 790 O CYS A 55 4.539 -9.795 -31.457 1.00 75.41 O ATOM 791 CB CYS A 55 5.662 -7.293 -30.291 1.00 31.40 C ATOM 792 SG CYS A 55 6.023 -6.095 -28.966 1.00 72.20 S ATOM 0 H CYS A 55 7.435 -8.537 -31.567 1.00 33.14 H new ATOM 0 HA CYS A 55 6.307 -8.807 -28.906 1.00 25.41 H new ATOM 0 HB2 CYS A 55 6.163 -6.971 -31.204 1.00 31.40 H new ATOM 0 HB3 CYS A 55 4.591 -7.282 -30.494 1.00 31.40 H new ATOM 798 N ASN A 56 4.477 -10.404 -29.292 1.00 64.51 N ATOM 799 CA ASN A 56 3.396 -11.364 -29.481 1.00 10.24 C ATOM 800 C ASN A 56 3.035 -12.041 -28.161 1.00 32.31 C ATOM 801 O ASN A 56 1.859 -12.248 -27.860 1.00 1.23 O ATOM 802 CB ASN A 56 3.795 -12.418 -30.514 1.00 72.52 C ATOM 803 CG ASN A 56 2.846 -12.459 -31.697 1.00 40.22 C ATOM 804 OD1 ASN A 56 3.271 -12.400 -32.851 1.00 32.25 O ATOM 805 ND2 ASN A 56 1.553 -12.557 -31.413 1.00 52.13 N ATOM 0 H ASN A 56 4.816 -10.332 -28.333 1.00 64.51 H new ATOM 0 HA ASN A 56 2.522 -10.823 -29.844 1.00 10.24 H new ATOM 0 HB2 ASN A 56 4.805 -12.211 -30.869 1.00 72.52 H new ATOM 0 HB3 ASN A 56 3.820 -13.398 -30.038 1.00 72.52 H new ATOM 0 HD21 ASN A 56 0.866 -12.586 -32.167 1.00 52.13 H new ATOM 0 HD22 ASN A 56 1.246 -12.603 -30.441 1.00 52.13 H new ATOM 944 N CYS A 65 13.520 -2.989 -9.801 1.00 11.14 N ATOM 945 CA CYS A 65 14.434 -1.929 -10.207 1.00 22.41 C ATOM 946 C CYS A 65 15.346 -2.401 -11.336 1.00 5.54 C ATOM 947 O CYS A 65 15.854 -3.523 -11.312 1.00 4.14 O ATOM 948 CB CYS A 65 15.276 -1.467 -9.016 1.00 50.45 C ATOM 949 SG CYS A 65 15.453 0.342 -8.888 1.00 62.04 S ATOM 0 HA CYS A 65 13.839 -1.090 -10.569 1.00 22.41 H new ATOM 0 HB2 CYS A 65 14.825 -1.843 -8.098 1.00 50.45 H new ATOM 0 HB3 CYS A 65 16.267 -1.914 -9.090 1.00 50.45 H new ATOM 955 N LYS A 66 15.551 -1.536 -12.325 1.00 15.13 N ATOM 956 CA LYS A 66 16.403 -1.862 -13.461 1.00 62.53 C ATOM 957 C LYS A 66 17.811 -1.307 -13.264 1.00 11.13 C ATOM 958 O LYS A 66 17.987 -0.214 -12.726 1.00 13.15 O ATOM 959 CB LYS A 66 15.800 -1.304 -14.752 1.00 63.41 C ATOM 960 CG LYS A 66 15.442 -2.375 -15.770 1.00 12.51 C ATOM 961 CD LYS A 66 16.167 -2.159 -17.087 1.00 44.33 C ATOM 962 CE LYS A 66 16.384 -3.471 -17.825 1.00 43.44 C ATOM 963 NZ LYS A 66 15.924 -3.392 -19.240 1.00 32.54 N ATOM 0 H LYS A 66 15.138 -0.604 -12.361 1.00 15.13 H new ATOM 0 HA LYS A 66 16.467 -2.948 -13.535 1.00 62.53 H new ATOM 0 HB2 LYS A 66 14.904 -0.733 -14.507 1.00 63.41 H new ATOM 0 HB3 LYS A 66 16.508 -0.608 -15.203 1.00 63.41 H new ATOM 0 HG2 LYS A 66 15.696 -3.357 -15.371 1.00 12.51 H new ATOM 0 HG3 LYS A 66 14.366 -2.370 -15.941 1.00 12.51 H new ATOM 0 HD2 LYS A 66 15.590 -1.479 -17.714 1.00 44.33 H new ATOM 0 HD3 LYS A 66 17.129 -1.682 -16.900 1.00 44.33 H new ATOM 0 HE2 LYS A 66 17.442 -3.731 -17.801 1.00 43.44 H new ATOM 0 HE3 LYS A 66 15.848 -4.270 -17.312 1.00 43.44 H new ATOM 0 HZ1 LYS A 66 16.088 -4.305 -19.710 1.00 32.54 H new ATOM 0 HZ2 LYS A 66 14.909 -3.169 -19.263 1.00 32.54 H new ATOM 0 HZ3 LYS A 66 16.454 -2.647 -19.736 1.00 32.54 H new ATOM 977 N TYR A 67 18.809 -2.065 -13.705 1.00 52.55 N ATOM 978 CA TYR A 67 20.199 -1.650 -13.576 1.00 51.20 C ATOM 979 C TYR A 67 20.983 -1.972 -14.843 1.00 23.44 C ATOM 980 O TYR A 67 20.676 -2.931 -15.552 1.00 10.23 O ATOM 981 CB TYR A 67 20.849 -2.335 -12.372 1.00 61.13 C ATOM 982 CG TYR A 67 20.576 -1.637 -11.058 1.00 75.43 C ATOM 983 CD1 TYR A 67 19.336 -1.737 -10.441 1.00 13.22 C ATOM 984 CD2 TYR A 67 21.559 -0.881 -10.434 1.00 25.43 C ATOM 985 CE1 TYR A 67 19.082 -1.101 -9.241 1.00 52.45 C ATOM 986 CE2 TYR A 67 21.316 -0.243 -9.234 1.00 0.43 C ATOM 987 CZ TYR A 67 20.075 -0.355 -8.641 1.00 53.04 C ATOM 988 OH TYR A 67 19.827 0.279 -7.446 1.00 0.44 O ATOM 0 H TYR A 67 18.680 -2.971 -14.155 1.00 52.55 H new ATOM 0 HA TYR A 67 20.217 -0.571 -13.424 1.00 51.20 H new ATOM 0 HB2 TYR A 67 20.488 -3.362 -12.310 1.00 61.13 H new ATOM 0 HB3 TYR A 67 21.926 -2.385 -12.531 1.00 61.13 H new ATOM 0 HD1 TYR A 67 18.557 -2.322 -10.907 1.00 13.22 H new ATOM 0 HD2 TYR A 67 22.531 -0.790 -10.896 1.00 25.43 H new ATOM 0 HE1 TYR A 67 18.111 -1.187 -8.775 1.00 52.45 H new ATOM 0 HE2 TYR A 67 22.093 0.340 -8.762 1.00 0.43 H new ATOM 0 HH TYR A 67 20.461 1.018 -7.330 1.00 0.44 H new ATOM 998 N LYS A 68 22.001 -1.164 -15.124 1.00 11.44 N ATOM 999 CA LYS A 68 22.834 -1.362 -16.303 1.00 3.23 C ATOM 1000 C LYS A 68 24.029 -2.255 -15.984 1.00 3.02 C ATOM 1001 O LYS A 68 25.047 -1.786 -15.475 1.00 21.44 O ATOM 1002 CB LYS A 68 23.321 -0.014 -16.842 1.00 1.00 C ATOM 1003 CG LYS A 68 24.288 -0.138 -18.006 1.00 2.30 C ATOM 1004 CD LYS A 68 25.648 0.449 -17.666 1.00 53.12 C ATOM 1005 CE LYS A 68 26.290 1.109 -18.878 1.00 53.54 C ATOM 1006 NZ LYS A 68 27.177 0.169 -19.616 1.00 71.23 N ATOM 0 H LYS A 68 22.268 -0.365 -14.549 1.00 11.44 H new ATOM 0 HA LYS A 68 22.229 -1.854 -17.064 1.00 3.23 H new ATOM 0 HB2 LYS A 68 22.459 0.574 -17.157 1.00 1.00 H new ATOM 0 HB3 LYS A 68 23.805 0.537 -16.036 1.00 1.00 H new ATOM 0 HG2 LYS A 68 24.401 -1.188 -18.276 1.00 2.30 H new ATOM 0 HG3 LYS A 68 23.878 0.373 -18.877 1.00 2.30 H new ATOM 0 HD2 LYS A 68 25.539 1.182 -16.866 1.00 53.12 H new ATOM 0 HD3 LYS A 68 26.302 -0.338 -17.290 1.00 53.12 H new ATOM 0 HE2 LYS A 68 25.511 1.475 -19.547 1.00 53.54 H new ATOM 0 HE3 LYS A 68 26.867 1.976 -18.556 1.00 53.54 H new ATOM 0 HZ1 LYS A 68 27.595 0.656 -20.434 1.00 71.23 H new ATOM 0 HZ2 LYS A 68 27.935 -0.161 -18.985 1.00 71.23 H new ATOM 0 HZ3 LYS A 68 26.622 -0.646 -19.945 1.00 71.23 H new ATOM 1020 N PHE A 69 23.898 -3.542 -16.287 1.00 43.44 N ATOM 1021 CA PHE A 69 24.967 -4.500 -16.031 1.00 72.23 C ATOM 1022 C PHE A 69 25.925 -4.574 -17.216 1.00 51.11 C ATOM 1023 O PHE A 69 25.500 -4.590 -18.371 1.00 21.20 O ATOM 1024 CB PHE A 69 24.381 -5.885 -15.746 1.00 25.41 C ATOM 1025 CG PHE A 69 24.525 -6.314 -14.314 1.00 22.23 C ATOM 1026 CD1 PHE A 69 24.348 -5.405 -13.285 1.00 14.31 C ATOM 1027 CD2 PHE A 69 24.840 -7.626 -13.998 1.00 44.42 C ATOM 1028 CE1 PHE A 69 24.478 -5.795 -11.966 1.00 15.55 C ATOM 1029 CE2 PHE A 69 24.971 -8.023 -12.681 1.00 25.32 C ATOM 1030 CZ PHE A 69 24.792 -7.106 -11.663 1.00 52.24 C ATOM 0 H PHE A 69 23.062 -3.946 -16.710 1.00 43.44 H new ATOM 0 HA PHE A 69 25.524 -4.162 -15.157 1.00 72.23 H new ATOM 0 HB2 PHE A 69 23.324 -5.885 -16.012 1.00 25.41 H new ATOM 0 HB3 PHE A 69 24.872 -6.617 -16.387 1.00 25.41 H new ATOM 0 HD1 PHE A 69 24.105 -4.378 -13.516 1.00 14.31 H new ATOM 0 HD2 PHE A 69 24.985 -8.346 -14.790 1.00 44.42 H new ATOM 0 HE1 PHE A 69 24.334 -5.076 -11.173 1.00 15.55 H new ATOM 0 HE2 PHE A 69 25.213 -9.049 -12.447 1.00 25.32 H new ATOM 0 HZ PHE A 69 24.897 -7.413 -10.633 1.00 52.24 H new ATOM 1040 N GLY A 70 27.220 -4.619 -16.921 1.00 32.14 N ATOM 1041 CA GLY A 70 28.219 -4.689 -17.971 1.00 11.12 C ATOM 1042 C GLY A 70 28.869 -6.055 -18.062 1.00 12.25 C ATOM 1043 O GLY A 70 28.468 -6.889 -18.872 1.00 52.02 O ATOM 0 H GLY A 70 27.596 -4.608 -15.973 1.00 32.14 H new ATOM 0 HA2 GLY A 70 27.755 -4.447 -18.927 1.00 11.12 H new ATOM 0 HA3 GLY A 70 28.986 -3.936 -17.789 1.00 11.12 H new ATOM 1047 N ASN A 71 29.879 -6.284 -17.227 1.00 72.44 N ATOM 1048 CA ASN A 71 30.588 -7.559 -17.219 1.00 34.14 C ATOM 1049 C ASN A 71 31.153 -7.857 -15.833 1.00 21.34 C ATOM 1050 O ASN A 71 31.537 -6.946 -15.099 1.00 21.13 O ATOM 1051 CB ASN A 71 31.719 -7.545 -18.251 1.00 51.53 C ATOM 1052 CG ASN A 71 32.047 -8.933 -18.767 1.00 25.51 C ATOM 1053 OD1 ASN A 71 33.055 -9.527 -18.385 1.00 13.54 O ATOM 1054 ND2 ASN A 71 31.195 -9.455 -19.642 1.00 12.21 N ATOM 0 H ASN A 71 30.224 -5.605 -16.549 1.00 72.44 H new ATOM 0 HA ASN A 71 29.878 -8.343 -17.480 1.00 34.14 H new ATOM 0 HB2 ASN A 71 31.436 -6.907 -19.088 1.00 51.53 H new ATOM 0 HB3 ASN A 71 32.611 -7.107 -17.803 1.00 51.53 H new ATOM 0 HD21 ASN A 71 31.364 -10.385 -20.026 1.00 12.21 H new ATOM 0 HD22 ASN A 71 30.372 -8.926 -19.930 1.00 12.21 H new ATOM 1061 N TRP A 72 31.202 -9.137 -15.484 1.00 33.15 N ATOM 1062 CA TRP A 72 31.722 -9.555 -14.186 1.00 11.31 C ATOM 1063 C TRP A 72 33.223 -9.308 -14.095 1.00 71.01 C ATOM 1064 O TRP A 72 33.932 -9.357 -15.100 1.00 14.41 O ATOM 1065 CB TRP A 72 31.420 -11.035 -13.946 1.00 72.13 C ATOM 1066 CG TRP A 72 30.024 -11.428 -14.329 1.00 2.13 C ATOM 1067 CD1 TRP A 72 29.617 -11.943 -15.526 1.00 4.20 C ATOM 1068 CD2 TRP A 72 28.853 -11.333 -13.511 1.00 1.24 C ATOM 1069 NE1 TRP A 72 28.262 -12.175 -15.501 1.00 62.20 N ATOM 1070 CE2 TRP A 72 27.771 -11.810 -14.276 1.00 0.11 C ATOM 1071 CE3 TRP A 72 28.614 -10.896 -12.205 1.00 2.41 C ATOM 1072 CZ2 TRP A 72 26.472 -11.858 -13.777 1.00 73.40 C ATOM 1073 CZ3 TRP A 72 27.324 -10.943 -11.712 1.00 54.03 C ATOM 1074 CH2 TRP A 72 26.267 -11.423 -12.497 1.00 73.14 C ATOM 0 H TRP A 72 30.889 -9.903 -16.080 1.00 33.15 H new ATOM 0 HA TRP A 72 31.229 -8.961 -13.416 1.00 11.31 H new ATOM 0 HB2 TRP A 72 32.128 -11.639 -14.513 1.00 72.13 H new ATOM 0 HB3 TRP A 72 31.578 -11.264 -12.892 1.00 72.13 H new ATOM 0 HD1 TRP A 72 30.264 -12.139 -16.368 1.00 4.20 H new ATOM 0 HE1 TRP A 72 27.712 -12.557 -16.270 1.00 62.20 H new ATOM 0 HE3 TRP A 72 29.423 -10.528 -11.592 1.00 2.41 H new ATOM 0 HZ2 TRP A 72 25.655 -12.226 -14.380 1.00 73.40 H new ATOM 0 HZ3 TRP A 72 27.127 -10.604 -10.706 1.00 54.03 H new ATOM 0 HH2 TRP A 72 25.270 -11.450 -12.082 1.00 73.14 H new ATOM 1085 N GLY A 73 33.703 -9.043 -12.883 1.00 51.30 N ATOM 1086 CA GLY A 73 35.118 -8.792 -12.685 1.00 41.11 C ATOM 1087 C GLY A 73 35.940 -10.066 -12.699 1.00 45.32 C ATOM 1088 O GLY A 73 35.495 -11.093 -13.210 1.00 53.02 O ATOM 0 H GLY A 73 33.137 -8.998 -12.036 1.00 51.30 H new ATOM 0 HA2 GLY A 73 35.478 -8.122 -13.466 1.00 41.11 H new ATOM 0 HA3 GLY A 73 35.263 -8.280 -11.734 1.00 41.11 H new ATOM 1092 N GLU A 74 37.144 -9.999 -12.139 1.00 64.24 N ATOM 1093 CA GLU A 74 38.030 -11.155 -12.092 1.00 64.54 C ATOM 1094 C GLU A 74 37.633 -12.100 -10.962 1.00 41.44 C ATOM 1095 O GLU A 74 37.374 -11.668 -9.838 1.00 64.44 O ATOM 1096 CB GLU A 74 39.482 -10.706 -11.912 1.00 60.41 C ATOM 1097 CG GLU A 74 39.751 -10.045 -10.571 1.00 40.13 C ATOM 1098 CD GLU A 74 40.453 -10.970 -9.595 1.00 11.13 C ATOM 1099 OE1 GLU A 74 40.291 -12.201 -9.722 1.00 51.55 O ATOM 1100 OE2 GLU A 74 41.167 -10.461 -8.704 1.00 4.51 O ATOM 0 H GLU A 74 37.528 -9.156 -11.712 1.00 64.24 H new ATOM 0 HA GLU A 74 37.938 -11.690 -13.037 1.00 64.54 H new ATOM 0 HB2 GLU A 74 40.137 -11.570 -12.020 1.00 60.41 H new ATOM 0 HB3 GLU A 74 39.740 -10.009 -12.710 1.00 60.41 H new ATOM 0 HG2 GLU A 74 40.361 -9.155 -10.725 1.00 40.13 H new ATOM 0 HG3 GLU A 74 38.807 -9.714 -10.137 1.00 40.13 H new ATOM 1107 N CYS A 75 37.587 -13.392 -11.267 1.00 64.14 N ATOM 1108 CA CYS A 75 37.221 -14.399 -10.280 1.00 14.05 C ATOM 1109 C CYS A 75 38.426 -14.788 -9.426 1.00 30.31 C ATOM 1110 O CYS A 75 39.470 -15.179 -9.950 1.00 52.43 O ATOM 1111 CB CYS A 75 36.651 -15.639 -10.971 1.00 75.41 C ATOM 1112 SG CYS A 75 35.148 -15.320 -11.948 1.00 54.04 S ATOM 0 H CYS A 75 37.799 -13.766 -12.192 1.00 64.14 H new ATOM 0 HA CYS A 75 36.458 -13.972 -9.629 1.00 14.05 H new ATOM 0 HB2 CYS A 75 37.414 -16.060 -11.625 1.00 75.41 H new ATOM 0 HB3 CYS A 75 36.427 -16.392 -10.216 1.00 75.41 H new ATOM 1118 N ASP A 76 38.273 -14.677 -8.112 1.00 55.42 N ATOM 1119 CA ASP A 76 39.346 -15.018 -7.186 1.00 23.20 C ATOM 1120 C ASP A 76 39.162 -16.429 -6.636 1.00 3.15 C ATOM 1121 O ASP A 76 38.259 -16.682 -5.840 1.00 33.25 O ATOM 1122 CB ASP A 76 39.394 -14.011 -6.035 1.00 11.03 C ATOM 1123 CG ASP A 76 40.630 -13.133 -6.085 1.00 73.14 C ATOM 1124 OD1 ASP A 76 41.739 -13.654 -5.841 1.00 63.34 O ATOM 1125 OD2 ASP A 76 40.487 -11.927 -6.371 1.00 3.13 O ATOM 0 H ASP A 76 37.416 -14.353 -7.664 1.00 55.42 H new ATOM 0 HA ASP A 76 40.289 -14.980 -7.732 1.00 23.20 H new ATOM 0 HB2 ASP A 76 38.504 -13.383 -6.068 1.00 11.03 H new ATOM 0 HB3 ASP A 76 39.371 -14.547 -5.086 1.00 11.03 H new ATOM 1130 N ALA A 77 40.026 -17.343 -7.068 1.00 15.42 N ATOM 1131 CA ALA A 77 39.958 -18.729 -6.618 1.00 2.25 C ATOM 1132 C ALA A 77 40.159 -18.826 -5.109 1.00 50.44 C ATOM 1133 O ALA A 77 39.827 -19.839 -4.494 1.00 40.54 O ATOM 1134 CB ALA A 77 40.996 -19.570 -7.345 1.00 2.14 C ATOM 0 H ALA A 77 40.780 -17.149 -7.728 1.00 15.42 H new ATOM 0 HA ALA A 77 38.965 -19.114 -6.852 1.00 2.25 H new ATOM 0 HB1 ALA A 77 40.935 -20.602 -7.000 1.00 2.14 H new ATOM 0 HB2 ALA A 77 40.807 -19.534 -8.418 1.00 2.14 H new ATOM 0 HB3 ALA A 77 41.992 -19.177 -7.139 1.00 2.14 H new ATOM 1140 N ALA A 78 40.703 -17.767 -4.519 1.00 55.04 N ATOM 1141 CA ALA A 78 40.946 -17.734 -3.081 1.00 61.55 C ATOM 1142 C ALA A 78 39.634 -17.708 -2.305 1.00 35.41 C ATOM 1143 O ALA A 78 39.564 -18.179 -1.169 1.00 31.20 O ATOM 1144 CB ALA A 78 41.800 -16.528 -2.719 1.00 11.33 C ATOM 0 H ALA A 78 40.984 -16.920 -5.014 1.00 55.04 H new ATOM 0 HA ALA A 78 41.483 -18.642 -2.806 1.00 61.55 H new ATOM 0 HB1 ALA A 78 41.974 -16.515 -1.643 1.00 11.33 H new ATOM 0 HB2 ALA A 78 42.755 -16.589 -3.240 1.00 11.33 H new ATOM 0 HB3 ALA A 78 41.283 -15.615 -3.014 1.00 11.33 H new ATOM 1150 N THR A 79 38.595 -17.155 -2.923 1.00 5.02 N ATOM 1151 CA THR A 79 37.287 -17.066 -2.288 1.00 14.14 C ATOM 1152 C THR A 79 36.236 -17.832 -3.083 1.00 70.52 C ATOM 1153 O THR A 79 35.166 -18.155 -2.568 1.00 60.23 O ATOM 1154 CB THR A 79 36.833 -15.602 -2.138 1.00 11.23 C ATOM 1155 OG1 THR A 79 35.555 -15.547 -1.492 1.00 33.35 O ATOM 1156 CG2 THR A 79 36.750 -14.919 -3.495 1.00 52.51 C ATOM 0 H THR A 79 38.635 -16.762 -3.863 1.00 5.02 H new ATOM 0 HA THR A 79 37.386 -17.511 -1.298 1.00 14.14 H new ATOM 0 HB THR A 79 37.570 -15.078 -1.529 1.00 11.23 H new ATOM 0 HG1 THR A 79 34.845 -15.594 -2.166 1.00 33.35 H new ATOM 0 HG21 THR A 79 36.427 -13.886 -3.363 1.00 52.51 H new ATOM 0 HG22 THR A 79 37.730 -14.935 -3.971 1.00 52.51 H new ATOM 0 HG23 THR A 79 36.033 -15.446 -4.124 1.00 52.51 H new ATOM 1164 N SER A 80 36.549 -18.121 -4.342 1.00 62.32 N ATOM 1165 CA SER A 80 35.630 -18.848 -5.211 1.00 24.32 C ATOM 1166 C SER A 80 34.354 -18.045 -5.445 1.00 11.31 C ATOM 1167 O SER A 80 33.255 -18.599 -5.478 1.00 71.14 O ATOM 1168 CB SER A 80 35.287 -20.208 -4.603 1.00 2.51 C ATOM 1169 OG SER A 80 36.345 -20.684 -3.789 1.00 72.21 O ATOM 0 H SER A 80 37.432 -17.863 -4.783 1.00 62.32 H new ATOM 0 HA SER A 80 36.122 -19.002 -6.171 1.00 24.32 H new ATOM 0 HB2 SER A 80 34.376 -20.125 -4.010 1.00 2.51 H new ATOM 0 HB3 SER A 80 35.085 -20.925 -5.399 1.00 2.51 H new ATOM 0 HG SER A 80 36.100 -21.554 -3.411 1.00 72.21 H new ATOM 1175 N THR A 81 34.507 -16.735 -5.604 1.00 65.44 N ATOM 1176 CA THR A 81 33.369 -15.854 -5.833 1.00 3.53 C ATOM 1177 C THR A 81 33.769 -14.644 -6.669 1.00 1.54 C ATOM 1178 O THR A 81 34.890 -14.146 -6.565 1.00 31.54 O ATOM 1179 CB THR A 81 32.760 -15.366 -4.504 1.00 13.54 C ATOM 1180 OG1 THR A 81 33.786 -15.239 -3.513 1.00 13.43 O ATOM 1181 CG2 THR A 81 31.690 -16.331 -4.013 1.00 25.11 C ATOM 0 H THR A 81 35.409 -16.260 -5.578 1.00 65.44 H new ATOM 0 HA THR A 81 32.623 -16.436 -6.375 1.00 3.53 H new ATOM 0 HB THR A 81 32.299 -14.393 -4.676 1.00 13.54 H new ATOM 0 HG1 THR A 81 33.421 -14.794 -2.720 1.00 13.43 H new ATOM 0 HG21 THR A 81 31.274 -15.966 -3.074 1.00 25.11 H new ATOM 0 HG22 THR A 81 30.897 -16.404 -4.757 1.00 25.11 H new ATOM 0 HG23 THR A 81 32.132 -17.315 -3.856 1.00 25.11 H new ATOM 1189 N LYS A 82 32.845 -14.173 -7.499 1.00 10.41 N ATOM 1190 CA LYS A 82 33.098 -13.018 -8.354 1.00 13.02 C ATOM 1191 C LYS A 82 32.322 -11.800 -7.866 1.00 24.41 C ATOM 1192 O LYS A 82 31.322 -11.930 -7.160 1.00 14.44 O ATOM 1193 CB LYS A 82 32.716 -13.335 -9.800 1.00 73.12 C ATOM 1194 CG LYS A 82 31.293 -13.841 -9.957 1.00 40.13 C ATOM 1195 CD LYS A 82 30.738 -13.528 -11.336 1.00 51.34 C ATOM 1196 CE LYS A 82 30.398 -14.798 -12.101 1.00 65.44 C ATOM 1197 NZ LYS A 82 31.460 -15.154 -13.084 1.00 53.45 N ATOM 0 H LYS A 82 31.912 -14.574 -7.598 1.00 10.41 H new ATOM 0 HA LYS A 82 34.163 -12.790 -8.309 1.00 13.02 H new ATOM 0 HB2 LYS A 82 32.842 -12.437 -10.405 1.00 73.12 H new ATOM 0 HB3 LYS A 82 33.404 -14.084 -10.193 1.00 73.12 H new ATOM 0 HG2 LYS A 82 31.268 -14.918 -9.790 1.00 40.13 H new ATOM 0 HG3 LYS A 82 30.658 -13.386 -9.197 1.00 40.13 H new ATOM 0 HD2 LYS A 82 29.845 -12.911 -11.239 1.00 51.34 H new ATOM 0 HD3 LYS A 82 31.468 -12.947 -11.900 1.00 51.34 H new ATOM 0 HE2 LYS A 82 30.263 -15.620 -11.398 1.00 65.44 H new ATOM 0 HE3 LYS A 82 29.450 -14.665 -12.622 1.00 65.44 H new ATOM 0 HZ1 LYS A 82 31.199 -16.034 -13.573 1.00 53.45 H new ATOM 0 HZ2 LYS A 82 31.560 -14.388 -13.780 1.00 53.45 H new ATOM 0 HZ3 LYS A 82 32.363 -15.289 -12.586 1.00 53.45 H new ATOM 1211 N SER A 83 32.787 -10.615 -8.251 1.00 2.13 N ATOM 1212 CA SER A 83 32.137 -9.373 -7.851 1.00 2.11 C ATOM 1213 C SER A 83 31.719 -8.561 -9.073 1.00 45.30 C ATOM 1214 O SER A 83 32.366 -8.615 -10.119 1.00 4.25 O ATOM 1215 CB SER A 83 33.073 -8.543 -6.969 1.00 52.24 C ATOM 1216 OG SER A 83 32.837 -8.795 -5.595 1.00 54.43 O ATOM 0 H SER A 83 33.611 -10.490 -8.839 1.00 2.13 H new ATOM 0 HA SER A 83 31.243 -9.627 -7.281 1.00 2.11 H new ATOM 0 HB2 SER A 83 34.109 -8.777 -7.212 1.00 52.24 H new ATOM 0 HB3 SER A 83 32.929 -7.483 -7.177 1.00 52.24 H new ATOM 0 HG SER A 83 33.449 -8.254 -5.053 1.00 54.43 H new ATOM 1222 N ARG A 84 30.632 -7.809 -8.932 1.00 1.31 N ATOM 1223 CA ARG A 84 30.126 -6.986 -10.024 1.00 51.00 C ATOM 1224 C ARG A 84 29.297 -5.822 -9.489 1.00 22.14 C ATOM 1225 O ARG A 84 28.615 -5.946 -8.471 1.00 2.44 O ATOM 1226 CB ARG A 84 29.280 -7.831 -10.978 1.00 1.21 C ATOM 1227 CG ARG A 84 28.192 -7.043 -11.689 1.00 10.15 C ATOM 1228 CD ARG A 84 28.771 -6.149 -12.774 1.00 24.20 C ATOM 1229 NE ARG A 84 28.024 -6.254 -14.026 1.00 32.22 N ATOM 1230 CZ ARG A 84 27.981 -7.358 -14.765 1.00 63.14 C ATOM 1231 NH1 ARG A 84 28.636 -8.444 -14.380 1.00 10.34 N ATOM 1232 NH2 ARG A 84 27.279 -7.375 -15.891 1.00 21.30 N ATOM 0 H ARG A 84 30.085 -7.753 -8.073 1.00 1.31 H new ATOM 0 HA ARG A 84 30.981 -6.582 -10.567 1.00 51.00 H new ATOM 0 HB2 ARG A 84 29.933 -8.286 -11.723 1.00 1.21 H new ATOM 0 HB3 ARG A 84 28.820 -8.645 -10.418 1.00 1.21 H new ATOM 0 HG2 ARG A 84 27.471 -7.732 -12.130 1.00 10.15 H new ATOM 0 HG3 ARG A 84 27.650 -6.434 -10.965 1.00 10.15 H new ATOM 0 HD2 ARG A 84 28.764 -5.114 -12.433 1.00 24.20 H new ATOM 0 HD3 ARG A 84 29.812 -6.419 -12.949 1.00 24.20 H new ATOM 0 HE ARG A 84 27.508 -5.436 -14.350 1.00 32.22 H new ATOM 0 HH11 ARG A 84 29.175 -8.434 -13.514 1.00 10.34 H new ATOM 0 HH12 ARG A 84 28.601 -9.289 -14.949 1.00 10.34 H new ATOM 0 HH21 ARG A 84 26.773 -6.541 -16.189 1.00 21.30 H new ATOM 0 HH22 ARG A 84 27.246 -8.222 -16.458 1.00 21.30 H new ATOM 1246 N THR A 85 29.363 -4.688 -10.182 1.00 41.35 N ATOM 1247 CA THR A 85 28.621 -3.501 -9.775 1.00 64.12 C ATOM 1248 C THR A 85 27.679 -3.036 -10.881 1.00 70.32 C ATOM 1249 O THR A 85 28.108 -2.780 -12.007 1.00 53.42 O ATOM 1250 CB THR A 85 29.569 -2.346 -9.403 1.00 64.42 C ATOM 1251 OG1 THR A 85 30.855 -2.559 -9.995 1.00 24.30 O ATOM 1252 CG2 THR A 85 29.714 -2.228 -7.895 1.00 52.44 C ATOM 0 H THR A 85 29.922 -4.567 -11.027 1.00 41.35 H new ATOM 0 HA THR A 85 28.037 -3.778 -8.897 1.00 64.12 H new ATOM 0 HB THR A 85 29.142 -1.418 -9.784 1.00 64.42 H new ATOM 0 HG1 THR A 85 31.452 -1.820 -9.755 1.00 24.30 H new ATOM 0 HG21 THR A 85 30.388 -1.405 -7.658 1.00 52.44 H new ATOM 0 HG22 THR A 85 28.738 -2.037 -7.449 1.00 52.44 H new ATOM 0 HG23 THR A 85 30.120 -3.157 -7.495 1.00 52.44 H new ATOM 1260 N GLY A 86 26.396 -2.927 -10.553 1.00 11.40 N ATOM 1261 CA GLY A 86 25.414 -2.491 -11.530 1.00 24.52 C ATOM 1262 C GLY A 86 24.992 -1.050 -11.323 1.00 71.01 C ATOM 1263 O GLY A 86 24.795 -0.609 -10.191 1.00 14.34 O ATOM 0 H GLY A 86 26.018 -3.133 -9.628 1.00 11.40 H new ATOM 0 HA2 GLY A 86 25.827 -2.605 -12.532 1.00 24.52 H new ATOM 0 HA3 GLY A 86 24.537 -3.135 -11.472 1.00 24.52 H new ATOM 1267 N THR A 87 24.850 -0.313 -12.420 1.00 72.14 N ATOM 1268 CA THR A 87 24.450 1.087 -12.356 1.00 12.43 C ATOM 1269 C THR A 87 22.933 1.224 -12.322 1.00 13.32 C ATOM 1270 O THR A 87 22.214 0.432 -12.934 1.00 34.32 O ATOM 1271 CB THR A 87 25.001 1.885 -13.551 1.00 61.14 C ATOM 1272 OG1 THR A 87 26.431 1.819 -13.568 1.00 71.00 O ATOM 1273 CG2 THR A 87 24.556 3.338 -13.484 1.00 23.43 C ATOM 0 H THR A 87 25.006 -0.663 -13.365 1.00 72.14 H new ATOM 0 HA THR A 87 24.869 1.493 -11.435 1.00 12.43 H new ATOM 0 HB THR A 87 24.607 1.443 -14.466 1.00 61.14 H new ATOM 0 HG1 THR A 87 26.773 2.328 -14.333 1.00 71.00 H new ATOM 0 HG21 THR A 87 24.958 3.881 -14.339 1.00 23.43 H new ATOM 0 HG22 THR A 87 23.467 3.386 -13.503 1.00 23.43 H new ATOM 0 HG23 THR A 87 24.924 3.789 -12.562 1.00 23.43 H new ATOM 1281 N LEU A 88 22.450 2.232 -11.606 1.00 74.03 N ATOM 1282 CA LEU A 88 21.015 2.473 -11.495 1.00 42.50 C ATOM 1283 C LEU A 88 20.487 3.197 -12.729 1.00 14.41 C ATOM 1284 O LEU A 88 20.924 4.302 -13.047 1.00 51.43 O ATOM 1285 CB LEU A 88 20.713 3.295 -10.240 1.00 40.13 C ATOM 1286 CG LEU A 88 19.234 3.559 -9.950 1.00 70.42 C ATOM 1287 CD1 LEU A 88 18.517 2.261 -9.616 1.00 12.54 C ATOM 1288 CD2 LEU A 88 19.084 4.562 -8.816 1.00 52.54 C ATOM 0 H LEU A 88 23.030 2.896 -11.093 1.00 74.03 H new ATOM 0 HA LEU A 88 20.514 1.508 -11.421 1.00 42.50 H new ATOM 0 HB2 LEU A 88 21.145 2.782 -9.381 1.00 40.13 H new ATOM 0 HB3 LEU A 88 21.222 4.255 -10.327 1.00 40.13 H new ATOM 0 HG LEU A 88 18.777 3.982 -10.844 1.00 70.42 H new ATOM 0 HD11 LEU A 88 17.466 2.468 -9.413 1.00 12.54 H new ATOM 0 HD12 LEU A 88 18.595 1.575 -10.459 1.00 12.54 H new ATOM 0 HD13 LEU A 88 18.975 1.808 -8.736 1.00 12.54 H new ATOM 0 HD21 LEU A 88 18.026 4.738 -8.623 1.00 52.54 H new ATOM 0 HD22 LEU A 88 19.556 4.167 -7.916 1.00 52.54 H new ATOM 0 HD23 LEU A 88 19.563 5.501 -9.095 1.00 52.54 H new ATOM 1300 N GLN A 89 19.543 2.564 -13.419 1.00 42.23 N ATOM 1301 CA GLN A 89 18.955 3.148 -14.619 1.00 15.33 C ATOM 1302 C GLN A 89 17.648 3.865 -14.290 1.00 73.45 C ATOM 1303 O GLN A 89 17.598 5.094 -14.238 1.00 1.11 O ATOM 1304 CB GLN A 89 18.705 2.064 -15.669 1.00 45.25 C ATOM 1305 CG GLN A 89 19.590 2.193 -16.898 1.00 41.03 C ATOM 1306 CD GLN A 89 19.995 0.849 -17.470 1.00 33.41 C ATOM 1307 OE1 GLN A 89 20.036 -0.155 -16.757 1.00 3.51 O ATOM 1308 NE2 GLN A 89 20.299 0.821 -18.762 1.00 73.10 N ATOM 0 H GLN A 89 19.170 1.649 -13.168 1.00 42.23 H new ATOM 0 HA GLN A 89 19.658 3.878 -15.021 1.00 15.33 H new ATOM 0 HB2 GLN A 89 18.867 1.086 -15.216 1.00 45.25 H new ATOM 0 HB3 GLN A 89 17.660 2.103 -15.978 1.00 45.25 H new ATOM 0 HG2 GLN A 89 19.063 2.765 -17.662 1.00 41.03 H new ATOM 0 HG3 GLN A 89 20.485 2.758 -16.638 1.00 41.03 H new ATOM 0 HE21 GLN A 89 20.252 1.676 -19.316 1.00 73.10 H new ATOM 0 HE22 GLN A 89 20.580 -0.056 -19.201 1.00 73.10 H new ATOM 1317 N LYS A 90 16.593 3.089 -14.071 1.00 61.04 N ATOM 1318 CA LYS A 90 15.286 3.648 -13.747 1.00 2.45 C ATOM 1319 C LYS A 90 14.532 2.745 -12.776 1.00 24.24 C ATOM 1320 O LYS A 90 14.836 1.558 -12.653 1.00 43.04 O ATOM 1321 CB LYS A 90 14.461 3.844 -15.022 1.00 72.52 C ATOM 1322 CG LYS A 90 14.938 3.000 -16.190 1.00 75.45 C ATOM 1323 CD LYS A 90 14.796 1.515 -15.900 1.00 32.42 C ATOM 1324 CE LYS A 90 13.821 0.850 -16.861 1.00 35.15 C ATOM 1325 NZ LYS A 90 12.464 1.456 -16.781 1.00 44.31 N ATOM 0 H LYS A 90 16.617 2.070 -14.112 1.00 61.04 H new ATOM 0 HA LYS A 90 15.442 4.615 -13.269 1.00 2.45 H new ATOM 0 HB2 LYS A 90 13.419 3.602 -14.811 1.00 72.52 H new ATOM 0 HB3 LYS A 90 14.493 4.895 -15.307 1.00 72.52 H new ATOM 0 HG2 LYS A 90 14.365 3.254 -17.082 1.00 75.45 H new ATOM 0 HG3 LYS A 90 15.981 3.231 -16.405 1.00 75.45 H new ATOM 0 HD2 LYS A 90 15.771 1.033 -15.978 1.00 32.42 H new ATOM 0 HD3 LYS A 90 14.452 1.375 -14.875 1.00 32.42 H new ATOM 0 HE2 LYS A 90 14.198 0.938 -17.880 1.00 35.15 H new ATOM 0 HE3 LYS A 90 13.757 -0.214 -16.635 1.00 35.15 H new ATOM 0 HZ1 LYS A 90 11.760 0.780 -17.139 1.00 44.31 H new ATOM 0 HZ2 LYS A 90 12.246 1.691 -15.791 1.00 44.31 H new ATOM 0 HZ3 LYS A 90 12.436 2.322 -17.356 1.00 44.31 H new ATOM 1339 N ALA A 91 13.549 3.313 -12.088 1.00 53.32 N ATOM 1340 CA ALA A 91 12.750 2.558 -11.130 1.00 42.33 C ATOM 1341 C ALA A 91 11.280 2.538 -11.536 1.00 63.42 C ATOM 1342 O ALA A 91 10.657 3.588 -11.702 1.00 41.24 O ATOM 1343 CB ALA A 91 12.906 3.143 -9.734 1.00 65.32 C ATOM 0 H ALA A 91 13.286 4.295 -12.176 1.00 53.32 H new ATOM 0 HA ALA A 91 13.112 1.530 -11.123 1.00 42.33 H new ATOM 0 HB1 ALA A 91 12.304 2.569 -9.030 1.00 65.32 H new ATOM 0 HB2 ALA A 91 13.954 3.099 -9.436 1.00 65.32 H new ATOM 0 HB3 ALA A 91 12.573 4.181 -9.735 1.00 65.32 H new ATOM 1349 N LEU A 92 10.731 1.339 -11.695 1.00 24.40 N ATOM 1350 CA LEU A 92 9.332 1.182 -12.082 1.00 23.15 C ATOM 1351 C LEU A 92 8.478 0.783 -10.883 1.00 60.25 C ATOM 1352 O LEU A 92 7.312 1.167 -10.784 1.00 63.40 O ATOM 1353 CB LEU A 92 9.204 0.132 -13.187 1.00 20.35 C ATOM 1354 CG LEU A 92 10.003 -1.156 -12.986 1.00 30.23 C ATOM 1355 CD1 LEU A 92 9.280 -2.335 -13.616 1.00 40.25 C ATOM 1356 CD2 LEU A 92 11.402 -1.013 -13.568 1.00 11.00 C ATOM 0 H LEU A 92 11.233 0.461 -11.562 1.00 24.40 H new ATOM 0 HA LEU A 92 8.973 2.141 -12.457 1.00 23.15 H new ATOM 0 HB2 LEU A 92 8.151 -0.130 -13.291 1.00 20.35 H new ATOM 0 HB3 LEU A 92 9.514 0.585 -14.129 1.00 20.35 H new ATOM 0 HG LEU A 92 10.094 -1.341 -11.916 1.00 30.23 H new ATOM 0 HD11 LEU A 92 9.863 -3.243 -13.463 1.00 40.25 H new ATOM 0 HD12 LEU A 92 8.300 -2.451 -13.153 1.00 40.25 H new ATOM 0 HD13 LEU A 92 9.157 -2.158 -14.685 1.00 40.25 H new ATOM 0 HD21 LEU A 92 11.956 -1.939 -13.416 1.00 11.00 H new ATOM 0 HD22 LEU A 92 11.332 -0.803 -14.635 1.00 11.00 H new ATOM 0 HD23 LEU A 92 11.921 -0.194 -13.070 1.00 11.00 H new ATOM 1368 N PHE A 93 9.065 0.011 -9.975 1.00 54.40 N ATOM 1369 CA PHE A 93 8.357 -0.439 -8.782 1.00 42.13 C ATOM 1370 C PHE A 93 8.595 0.516 -7.615 1.00 71.42 C ATOM 1371 O PHE A 93 9.720 0.953 -7.377 1.00 14.33 O ATOM 1372 CB PHE A 93 8.805 -1.851 -8.400 1.00 12.23 C ATOM 1373 CG PHE A 93 7.931 -2.498 -7.363 1.00 70.22 C ATOM 1374 CD1 PHE A 93 7.980 -2.085 -6.042 1.00 41.24 C ATOM 1375 CD2 PHE A 93 7.061 -3.519 -7.711 1.00 65.45 C ATOM 1376 CE1 PHE A 93 7.176 -2.677 -5.086 1.00 41.25 C ATOM 1377 CE2 PHE A 93 6.255 -4.114 -6.760 1.00 34.53 C ATOM 1378 CZ PHE A 93 6.314 -3.694 -5.445 1.00 51.13 C ATOM 0 H PHE A 93 10.029 -0.316 -10.042 1.00 54.40 H new ATOM 0 HA PHE A 93 7.290 -0.452 -9.006 1.00 42.13 H new ATOM 0 HB2 PHE A 93 8.816 -2.474 -9.294 1.00 12.23 H new ATOM 0 HB3 PHE A 93 9.828 -1.810 -8.027 1.00 12.23 H new ATOM 0 HD1 PHE A 93 8.654 -1.291 -5.755 1.00 41.24 H new ATOM 0 HD2 PHE A 93 7.013 -3.853 -8.737 1.00 65.45 H new ATOM 0 HE1 PHE A 93 7.222 -2.344 -4.060 1.00 41.25 H new ATOM 0 HE2 PHE A 93 5.579 -4.907 -7.044 1.00 34.53 H new ATOM 0 HZ PHE A 93 5.687 -4.160 -4.699 1.00 51.13 H new ATOM 1388 N ASN A 94 7.526 0.834 -6.893 1.00 3.40 N ATOM 1389 CA ASN A 94 7.617 1.739 -5.751 1.00 31.41 C ATOM 1390 C ASN A 94 8.637 1.231 -4.736 1.00 13.14 C ATOM 1391 O ASN A 94 8.348 0.332 -3.947 1.00 33.14 O ATOM 1392 CB ASN A 94 6.249 1.891 -5.084 1.00 13.11 C ATOM 1393 CG ASN A 94 5.647 3.264 -5.307 1.00 45.22 C ATOM 1394 OD1 ASN A 94 5.889 4.193 -4.536 1.00 44.12 O ATOM 1395 ND2 ASN A 94 4.857 3.399 -6.367 1.00 32.12 N ATOM 0 H ASN A 94 6.587 0.480 -7.077 1.00 3.40 H new ATOM 0 HA ASN A 94 7.946 2.712 -6.115 1.00 31.41 H new ATOM 0 HB2 ASN A 94 5.571 1.132 -5.475 1.00 13.11 H new ATOM 0 HB3 ASN A 94 6.347 1.710 -4.014 1.00 13.11 H new ATOM 0 HD21 ASN A 94 4.423 4.300 -6.568 1.00 32.12 H new ATOM 0 HD22 ASN A 94 4.684 2.602 -6.979 1.00 32.12 H new ATOM 1402 N VAL A 95 9.831 1.815 -4.761 1.00 61.25 N ATOM 1403 CA VAL A 95 10.893 1.424 -3.842 1.00 70.53 C ATOM 1404 C VAL A 95 12.116 2.320 -4.004 1.00 4.44 C ATOM 1405 O VAL A 95 12.389 2.824 -5.092 1.00 23.33 O ATOM 1406 CB VAL A 95 11.314 -0.042 -4.061 1.00 41.52 C ATOM 1407 CG1 VAL A 95 11.991 -0.208 -5.413 1.00 14.01 C ATOM 1408 CG2 VAL A 95 12.227 -0.508 -2.937 1.00 44.24 C ATOM 0 H VAL A 95 10.087 2.561 -5.408 1.00 61.25 H new ATOM 0 HA VAL A 95 10.495 1.534 -2.833 1.00 70.53 H new ATOM 0 HB VAL A 95 10.419 -0.664 -4.052 1.00 41.52 H new ATOM 0 HG11 VAL A 95 12.281 -1.250 -5.549 1.00 14.01 H new ATOM 0 HG12 VAL A 95 11.300 0.083 -6.204 1.00 14.01 H new ATOM 0 HG13 VAL A 95 12.878 0.424 -5.456 1.00 14.01 H new ATOM 0 HG21 VAL A 95 12.514 -1.545 -3.108 1.00 44.24 H new ATOM 0 HG22 VAL A 95 13.120 0.116 -2.911 1.00 44.24 H new ATOM 0 HG23 VAL A 95 11.702 -0.429 -1.985 1.00 44.24 H new ATOM 1418 N GLU A 96 12.849 2.513 -2.911 1.00 44.33 N ATOM 1419 CA GLU A 96 14.043 3.351 -2.932 1.00 13.33 C ATOM 1420 C GLU A 96 15.258 2.553 -3.395 1.00 50.14 C ATOM 1421 O GLU A 96 15.710 1.634 -2.712 1.00 55.33 O ATOM 1422 CB GLU A 96 14.304 3.938 -1.543 1.00 1.00 C ATOM 1423 CG GLU A 96 15.525 4.840 -1.484 1.00 33.50 C ATOM 1424 CD GLU A 96 15.193 6.240 -1.006 1.00 34.24 C ATOM 1425 OE1 GLU A 96 14.141 6.773 -1.418 1.00 22.32 O ATOM 1426 OE2 GLU A 96 15.984 6.802 -0.218 1.00 52.34 O ATOM 0 H GLU A 96 12.637 2.101 -2.002 1.00 44.33 H new ATOM 0 HA GLU A 96 13.874 4.165 -3.637 1.00 13.33 H new ATOM 0 HB2 GLU A 96 13.428 4.505 -1.227 1.00 1.00 H new ATOM 0 HB3 GLU A 96 14.430 3.123 -0.831 1.00 1.00 H new ATOM 0 HG2 GLU A 96 16.266 4.399 -0.818 1.00 33.50 H new ATOM 0 HG3 GLU A 96 15.979 4.896 -2.473 1.00 33.50 H new ATOM 1433 N CYS A 97 15.782 2.910 -4.563 1.00 65.01 N ATOM 1434 CA CYS A 97 16.944 2.229 -5.121 1.00 54.10 C ATOM 1435 C CYS A 97 18.190 3.104 -5.016 1.00 54.41 C ATOM 1436 O CYS A 97 18.111 4.328 -5.116 1.00 61.32 O ATOM 1437 CB CYS A 97 16.690 1.859 -6.584 1.00 71.14 C ATOM 1438 SG CYS A 97 15.276 0.736 -6.832 1.00 30.21 S ATOM 0 H CYS A 97 15.420 3.668 -5.142 1.00 65.01 H new ATOM 0 HA CYS A 97 17.111 1.318 -4.546 1.00 54.10 H new ATOM 0 HB2 CYS A 97 16.520 2.772 -7.154 1.00 71.14 H new ATOM 0 HB3 CYS A 97 17.587 1.392 -6.991 1.00 71.14 H new ATOM 1444 N GLN A 98 19.339 2.465 -4.813 1.00 44.32 N ATOM 1445 CA GLN A 98 20.600 3.185 -4.694 1.00 31.14 C ATOM 1446 C GLN A 98 21.213 3.442 -6.067 1.00 14.51 C ATOM 1447 O GLN A 98 20.961 2.702 -7.017 1.00 34.43 O ATOM 1448 CB GLN A 98 21.580 2.396 -3.824 1.00 23.53 C ATOM 1449 CG GLN A 98 21.512 2.758 -2.348 1.00 73.51 C ATOM 1450 CD GLN A 98 20.930 1.642 -1.502 1.00 32.52 C ATOM 1451 OE1 GLN A 98 21.642 0.993 -0.736 1.00 23.34 O ATOM 1452 NE2 GLN A 98 19.629 1.414 -1.637 1.00 34.14 N ATOM 0 H GLN A 98 19.421 1.452 -4.728 1.00 44.32 H new ATOM 0 HA GLN A 98 20.398 4.147 -4.222 1.00 31.14 H new ATOM 0 HB2 GLN A 98 21.378 1.331 -3.938 1.00 23.53 H new ATOM 0 HB3 GLN A 98 22.594 2.568 -4.185 1.00 23.53 H new ATOM 0 HG2 GLN A 98 22.513 2.997 -1.989 1.00 73.51 H new ATOM 0 HG3 GLN A 98 20.907 3.656 -2.225 1.00 73.51 H new ATOM 0 HE21 GLN A 98 19.077 1.977 -2.284 1.00 34.14 H new ATOM 0 HE22 GLN A 98 19.181 0.676 -1.093 1.00 34.14 H new ATOM 1461 N GLN A 99 22.018 4.495 -6.162 1.00 44.32 N ATOM 1462 CA GLN A 99 22.665 4.849 -7.420 1.00 62.12 C ATOM 1463 C GLN A 99 23.399 3.650 -8.011 1.00 0.31 C ATOM 1464 O GLN A 99 23.420 3.460 -9.228 1.00 74.12 O ATOM 1465 CB GLN A 99 23.643 6.006 -7.207 1.00 13.12 C ATOM 1466 CG GLN A 99 24.023 6.726 -8.492 1.00 32.35 C ATOM 1467 CD GLN A 99 23.308 8.053 -8.652 1.00 12.10 C ATOM 1468 OE1 GLN A 99 22.339 8.337 -7.947 1.00 13.21 O ATOM 1469 NE2 GLN A 99 23.782 8.872 -9.582 1.00 40.33 N ATOM 0 H GLN A 99 22.238 5.117 -5.384 1.00 44.32 H new ATOM 0 HA GLN A 99 21.892 5.161 -8.122 1.00 62.12 H new ATOM 0 HB2 GLN A 99 23.200 6.723 -6.516 1.00 13.12 H new ATOM 0 HB3 GLN A 99 24.547 5.624 -6.733 1.00 13.12 H new ATOM 0 HG2 GLN A 99 25.100 6.894 -8.505 1.00 32.35 H new ATOM 0 HG3 GLN A 99 23.790 6.087 -9.344 1.00 32.35 H new ATOM 0 HE21 GLN A 99 24.588 8.595 -10.143 1.00 40.33 H new ATOM 0 HE22 GLN A 99 23.341 9.779 -9.736 1.00 40.33 H new ATOM 1478 N THR A 100 24.001 2.844 -7.142 1.00 62.14 N ATOM 1479 CA THR A 100 24.737 1.664 -7.578 1.00 74.30 C ATOM 1480 C THR A 100 24.662 0.553 -6.536 1.00 62.53 C ATOM 1481 O THR A 100 24.575 0.818 -5.337 1.00 31.32 O ATOM 1482 CB THR A 100 26.216 1.995 -7.853 1.00 64.55 C ATOM 1483 OG1 THR A 100 26.346 3.365 -8.250 1.00 31.34 O ATOM 1484 CG2 THR A 100 26.780 1.091 -8.939 1.00 64.24 C ATOM 0 H THR A 100 23.993 2.987 -6.132 1.00 62.14 H new ATOM 0 HA THR A 100 24.270 1.324 -8.502 1.00 74.30 H new ATOM 0 HB THR A 100 26.780 1.828 -6.935 1.00 64.55 H new ATOM 0 HG1 THR A 100 27.289 3.568 -8.421 1.00 31.34 H new ATOM 0 HG21 THR A 100 27.826 1.343 -9.116 1.00 64.24 H new ATOM 0 HG22 THR A 100 26.707 0.051 -8.621 1.00 64.24 H new ATOM 0 HG23 THR A 100 26.213 1.230 -9.859 1.00 64.24 H new ATOM 1492 N VAL A 101 24.696 -0.691 -7.002 1.00 34.21 N ATOM 1493 CA VAL A 101 24.634 -1.843 -6.111 1.00 3.33 C ATOM 1494 C VAL A 101 25.634 -2.915 -6.526 1.00 33.32 C ATOM 1495 O VAL A 101 25.888 -3.114 -7.715 1.00 4.23 O ATOM 1496 CB VAL A 101 23.221 -2.457 -6.084 1.00 63.45 C ATOM 1497 CG1 VAL A 101 22.189 -1.404 -5.715 1.00 43.43 C ATOM 1498 CG2 VAL A 101 22.891 -3.090 -7.428 1.00 21.25 C ATOM 0 H VAL A 101 24.766 -0.927 -7.992 1.00 34.21 H new ATOM 0 HA VAL A 101 24.885 -1.484 -5.113 1.00 3.33 H new ATOM 0 HB VAL A 101 23.197 -3.238 -5.324 1.00 63.45 H new ATOM 0 HG11 VAL A 101 21.197 -1.856 -5.701 1.00 43.43 H new ATOM 0 HG12 VAL A 101 22.418 -1.000 -4.729 1.00 43.43 H new ATOM 0 HG13 VAL A 101 22.211 -0.600 -6.450 1.00 43.43 H new ATOM 0 HG21 VAL A 101 21.890 -3.519 -7.392 1.00 21.25 H new ATOM 0 HG22 VAL A 101 22.932 -2.330 -8.208 1.00 21.25 H new ATOM 0 HG23 VAL A 101 23.614 -3.875 -7.648 1.00 21.25 H new ATOM 1508 N SER A 102 26.200 -3.604 -5.541 1.00 55.11 N ATOM 1509 CA SER A 102 27.176 -4.655 -5.803 1.00 65.42 C ATOM 1510 C SER A 102 26.514 -6.029 -5.781 1.00 63.53 C ATOM 1511 O SER A 102 25.472 -6.220 -5.153 1.00 63.44 O ATOM 1512 CB SER A 102 28.304 -4.602 -4.771 1.00 72.21 C ATOM 1513 OG SER A 102 27.786 -4.499 -3.456 1.00 14.15 O ATOM 0 H SER A 102 25.999 -3.453 -4.552 1.00 55.11 H new ATOM 0 HA SER A 102 27.594 -4.489 -6.796 1.00 65.42 H new ATOM 0 HB2 SER A 102 28.920 -5.498 -4.854 1.00 72.21 H new ATOM 0 HB3 SER A 102 28.951 -3.750 -4.978 1.00 72.21 H new ATOM 0 HG SER A 102 28.526 -4.469 -2.814 1.00 14.15 H new ATOM 1519 N VAL A 103 27.128 -6.985 -6.471 1.00 40.11 N ATOM 1520 CA VAL A 103 26.599 -8.344 -6.530 1.00 65.22 C ATOM 1521 C VAL A 103 27.719 -9.373 -6.425 1.00 11.14 C ATOM 1522 O VAL A 103 28.897 -9.045 -6.569 1.00 23.32 O ATOM 1523 CB VAL A 103 25.817 -8.585 -7.835 1.00 70.32 C ATOM 1524 CG1 VAL A 103 24.781 -7.493 -8.046 1.00 51.30 C ATOM 1525 CG2 VAL A 103 26.768 -8.664 -9.020 1.00 22.33 C ATOM 0 H VAL A 103 27.991 -6.845 -6.996 1.00 40.11 H new ATOM 0 HA VAL A 103 25.922 -8.458 -5.683 1.00 65.22 H new ATOM 0 HB VAL A 103 25.295 -9.538 -7.753 1.00 70.32 H new ATOM 0 HG11 VAL A 103 24.239 -7.680 -8.973 1.00 51.30 H new ATOM 0 HG12 VAL A 103 24.081 -7.489 -7.210 1.00 51.30 H new ATOM 0 HG13 VAL A 103 25.279 -6.525 -8.106 1.00 51.30 H new ATOM 0 HG21 VAL A 103 26.198 -8.835 -9.933 1.00 22.33 H new ATOM 0 HG22 VAL A 103 27.320 -7.728 -9.106 1.00 22.33 H new ATOM 0 HG23 VAL A 103 27.468 -9.486 -8.870 1.00 22.33 H new ATOM 1535 N THR A 104 27.344 -10.622 -6.171 1.00 74.10 N ATOM 1536 CA THR A 104 28.315 -11.702 -6.044 1.00 73.40 C ATOM 1537 C THR A 104 27.823 -12.969 -6.733 1.00 31.40 C ATOM 1538 O THR A 104 26.620 -13.213 -6.821 1.00 72.11 O ATOM 1539 CB THR A 104 28.615 -12.017 -4.567 1.00 14.10 C ATOM 1540 OG1 THR A 104 28.490 -10.831 -3.776 1.00 40.11 O ATOM 1541 CG2 THR A 104 30.014 -12.593 -4.408 1.00 23.30 C ATOM 0 H THR A 104 26.374 -10.911 -6.049 1.00 74.10 H new ATOM 0 HA THR A 104 29.230 -11.362 -6.528 1.00 73.40 H new ATOM 0 HB THR A 104 27.893 -12.759 -4.225 1.00 14.10 H new ATOM 0 HG1 THR A 104 28.681 -11.042 -2.838 1.00 40.11 H new ATOM 0 HG21 THR A 104 30.202 -12.807 -3.356 1.00 23.30 H new ATOM 0 HG22 THR A 104 30.096 -13.513 -4.986 1.00 23.30 H new ATOM 0 HG23 THR A 104 30.748 -11.872 -4.768 1.00 23.30 H new ATOM 1549 N LYS A 105 28.761 -13.775 -7.220 1.00 73.15 N ATOM 1550 CA LYS A 105 28.423 -15.019 -7.900 1.00 60.43 C ATOM 1551 C LYS A 105 29.474 -16.091 -7.627 1.00 50.33 C ATOM 1552 O LYS A 105 30.662 -15.807 -7.480 1.00 43.40 O ATOM 1553 CB LYS A 105 28.299 -14.784 -9.408 1.00 35.01 C ATOM 1554 CG LYS A 105 26.889 -14.970 -9.938 1.00 60.54 C ATOM 1555 CD LYS A 105 26.892 -15.622 -11.312 1.00 45.35 C ATOM 1556 CE LYS A 105 25.789 -15.061 -12.196 1.00 63.31 C ATOM 1557 NZ LYS A 105 25.245 -16.091 -13.125 1.00 3.34 N ATOM 0 H LYS A 105 29.762 -13.588 -7.156 1.00 73.15 H new ATOM 0 HA LYS A 105 27.465 -15.366 -7.513 1.00 60.43 H new ATOM 0 HB2 LYS A 105 28.634 -13.773 -9.638 1.00 35.01 H new ATOM 0 HB3 LYS A 105 28.968 -15.468 -9.930 1.00 35.01 H new ATOM 0 HG2 LYS A 105 26.316 -15.585 -9.244 1.00 60.54 H new ATOM 0 HG3 LYS A 105 26.390 -14.003 -9.994 1.00 60.54 H new ATOM 0 HD2 LYS A 105 27.859 -15.463 -11.789 1.00 45.35 H new ATOM 0 HD3 LYS A 105 26.762 -16.699 -11.205 1.00 45.35 H new ATOM 0 HE2 LYS A 105 24.984 -14.674 -11.571 1.00 63.31 H new ATOM 0 HE3 LYS A 105 26.177 -14.221 -12.772 1.00 63.31 H new ATOM 0 HZ1 LYS A 105 24.496 -15.670 -13.710 1.00 3.34 H new ATOM 0 HZ2 LYS A 105 26.008 -16.442 -13.739 1.00 3.34 H new ATOM 0 HZ3 LYS A 105 24.851 -16.881 -12.575 1.00 3.34 H new ATOM 1571 N PRO A 106 29.027 -17.354 -7.559 1.00 43.34 N ATOM 1572 CA PRO A 106 29.913 -18.494 -7.305 1.00 21.03 C ATOM 1573 C PRO A 106 30.839 -18.781 -8.481 1.00 24.42 C ATOM 1574 O PRO A 106 30.632 -19.738 -9.228 1.00 62.42 O ATOM 1575 CB PRO A 106 28.942 -19.659 -7.092 1.00 23.04 C ATOM 1576 CG PRO A 106 27.711 -19.265 -7.833 1.00 24.22 C ATOM 1577 CD PRO A 106 27.623 -17.767 -7.725 1.00 23.24 C ATOM 0 HA PRO A 106 30.576 -18.314 -6.459 1.00 21.03 H new ATOM 0 HB2 PRO A 106 29.353 -20.593 -7.476 1.00 23.04 H new ATOM 0 HB3 PRO A 106 28.735 -19.813 -6.033 1.00 23.04 H new ATOM 0 HG2 PRO A 106 27.766 -19.578 -8.876 1.00 24.22 H new ATOM 0 HG3 PRO A 106 26.829 -19.740 -7.404 1.00 24.22 H new ATOM 0 HD2 PRO A 106 27.177 -17.325 -8.616 1.00 23.24 H new ATOM 0 HD3 PRO A 106 27.011 -17.460 -6.877 1.00 23.24 H new ATOM 1585 N CYS A 107 31.862 -17.949 -8.641 1.00 41.43 N ATOM 1586 CA CYS A 107 32.821 -18.113 -9.727 1.00 21.14 C ATOM 1587 C CYS A 107 34.239 -18.259 -9.182 1.00 31.31 C ATOM 1588 O CYS A 107 34.605 -17.626 -8.191 1.00 3.34 O ATOM 1589 CB CYS A 107 32.751 -16.920 -10.682 1.00 44.24 C ATOM 1590 SG CYS A 107 34.002 -16.952 -12.006 1.00 54.55 S ATOM 0 H CYS A 107 32.049 -17.153 -8.031 1.00 41.43 H new ATOM 0 HA CYS A 107 32.564 -19.021 -10.272 1.00 21.14 H new ATOM 0 HB2 CYS A 107 31.760 -16.888 -11.134 1.00 44.24 H new ATOM 0 HB3 CYS A 107 32.869 -16.001 -10.108 1.00 44.24 H new ATOM 1596 N THR A 108 35.036 -19.099 -9.837 1.00 3.33 N ATOM 1597 CA THR A 108 36.413 -19.330 -9.419 1.00 52.15 C ATOM 1598 C THR A 108 37.352 -19.365 -10.620 1.00 44.21 C ATOM 1599 O THR A 108 36.948 -19.720 -11.729 1.00 4.43 O ATOM 1600 CB THR A 108 36.548 -20.648 -8.636 1.00 12.14 C ATOM 1601 OG1 THR A 108 37.930 -21.000 -8.504 1.00 54.42 O ATOM 1602 CG2 THR A 108 35.797 -21.772 -9.334 1.00 12.21 C ATOM 0 H THR A 108 34.750 -19.630 -10.659 1.00 3.33 H new ATOM 0 HA THR A 108 36.691 -18.501 -8.768 1.00 52.15 H new ATOM 0 HB THR A 108 36.114 -20.503 -7.646 1.00 12.14 H new ATOM 0 HG1 THR A 108 38.008 -21.839 -8.003 1.00 54.42 H new ATOM 0 HG21 THR A 108 35.907 -22.693 -8.762 1.00 12.21 H new ATOM 0 HG22 THR A 108 34.741 -21.514 -9.406 1.00 12.21 H new ATOM 0 HG23 THR A 108 36.205 -21.915 -10.335 1.00 12.21 H new ATOM 1610 N THR A 109 38.609 -18.996 -10.393 1.00 51.22 N ATOM 1611 CA THR A 109 39.606 -18.987 -11.455 1.00 43.21 C ATOM 1612 C THR A 109 40.591 -20.138 -11.295 1.00 33.43 C ATOM 1613 O THR A 109 40.622 -20.806 -10.261 1.00 51.32 O ATOM 1614 CB THR A 109 40.386 -17.659 -11.480 1.00 43.14 C ATOM 1615 OG1 THR A 109 41.214 -17.599 -12.648 1.00 60.21 O ATOM 1616 CG2 THR A 109 41.248 -17.512 -10.235 1.00 42.43 C ATOM 0 H THR A 109 38.960 -18.699 -9.482 1.00 51.22 H new ATOM 0 HA THR A 109 39.067 -19.102 -12.395 1.00 43.21 H new ATOM 0 HB THR A 109 39.665 -16.842 -11.502 1.00 43.14 H new ATOM 0 HG1 THR A 109 41.705 -16.751 -12.658 1.00 60.21 H new ATOM 0 HG21 THR A 109 41.789 -16.566 -10.276 1.00 42.43 H new ATOM 0 HG22 THR A 109 40.613 -17.529 -9.349 1.00 42.43 H new ATOM 0 HG23 THR A 109 41.960 -18.336 -10.186 1.00 42.43 H new