USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 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 110 GLN : amide:sc= 0.0631 X(o=-3.2,f=-2.7) USER MOD Set 1.2: A 112 GLN : amide:sc= -3.28 K(o=-3.2,f=-0.22) USER MOD Set 2.1: A 103 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.35) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= 0.00184 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.122 X(o=-0.75,f=-0.45) USER MOD Set 3.2: A 68 MET CE :methyl 174:sc= -0.631 (180deg=-0.677) USER MOD Set 3.3: A 99 THR OG1 : rot 100:sc= 0 USER MOD Set 4.1: A 33 THR OG1 : rot 80:sc= -0.442 USER MOD Set 4.2: A 62 TYR OH : rot 74:sc= -0.0682 USER MOD Set 5.1: A 40 SER OG : rot 144:sc= 0.147 USER MOD Set 5.2: A 44 ASN : amide:sc= 0.108 K(o=0.53,f=-1.6!) USER MOD Set 5.3: A 45 SER OG : rot -82:sc= 0.347 USER MOD Set 5.4: A 47 HIS : no HD1:sc= -0.0702 K(o=0.53,f=-0.71) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 29 SER OG : rot -38:sc= 0.146 USER MOD Single : A 38 CYS SG : rot -105:sc= 0.0398 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.364 K(o=0.36,f=-0.53) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0408) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= -0.0019 (180deg=-0.0251) USER MOD Single : A 65 HIS : no HE2:sc= -0.129 X(o=-0.13,f=-0.47) USER MOD Single : A 66 ASN : amide:sc= -0.106 K(o=-0.11,f=-3.3!) USER MOD Single : A 67 ASN : amide:sc= -0.189 K(o=-0.19,f=-7.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00801 X(o=-0.008,f=-0.4) USER MOD Single : A 76 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.27) USER MOD Single : A 77 MET CE :methyl -159:sc= -0.444 (180deg=-1.59) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= -0.0142 (180deg=-0.143) USER MOD Single : A 85 HIS : no HD1:sc= 0.255 K(o=0.26,f=-1.2) USER MOD Single : A 102 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.71) USER MOD Single : A 116 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.11) USER MOD Single : A 118 LYS NZ :NH3+ -140:sc= 0.643 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.086 -14.963 -0.184 1.00 14.25 N ATOM 238 CA VAL A 17 5.465 -13.617 -0.179 1.00 21.33 C ATOM 239 C VAL A 17 4.385 -13.527 0.935 1.00 43.30 C ATOM 240 O VAL A 17 3.398 -14.269 0.874 1.00 15.23 O ATOM 241 CB VAL A 17 4.824 -13.267 -1.589 1.00 32.50 C ATOM 242 CG1 VAL A 17 4.142 -11.871 -1.570 1.00 4.02 C ATOM 243 CG2 VAL A 17 5.884 -13.361 -2.723 1.00 2.40 C ATOM 0 HA VAL A 17 6.251 -12.889 0.023 1.00 21.33 H new ATOM 0 HB VAL A 17 4.050 -14.007 -1.794 1.00 32.50 H new ATOM 0 HG11 VAL A 17 3.713 -11.662 -2.550 1.00 4.02 H new ATOM 0 HG12 VAL A 17 3.352 -11.862 -0.819 1.00 4.02 H new ATOM 0 HG13 VAL A 17 4.882 -11.108 -1.327 1.00 4.02 H new ATOM 0 HG21 VAL A 17 5.418 -13.116 -3.678 1.00 2.40 H new ATOM 0 HG22 VAL A 17 6.693 -12.659 -2.524 1.00 2.40 H new ATOM 0 HG23 VAL A 17 6.284 -14.374 -2.764 1.00 2.40 H new ATOM 253 N PRO A 18 4.582 -12.650 1.990 1.00 41.35 N ATOM 254 CA PRO A 18 3.600 -12.455 3.103 1.00 53.15 C ATOM 255 C PRO A 18 2.170 -12.144 2.605 1.00 75.11 C ATOM 256 O PRO A 18 2.015 -11.525 1.542 1.00 31.54 O ATOM 257 CB PRO A 18 4.193 -11.245 3.881 1.00 75.22 C ATOM 258 CG PRO A 18 5.669 -11.349 3.640 1.00 70.52 C ATOM 259 CD PRO A 18 5.798 -11.803 2.199 1.00 54.03 C ATOM 0 HA PRO A 18 3.481 -13.357 3.704 1.00 53.15 H new ATOM 0 HB2 PRO A 18 3.794 -10.300 3.514 1.00 75.22 H new ATOM 0 HB3 PRO A 18 3.957 -11.299 4.944 1.00 75.22 H new ATOM 0 HG2 PRO A 18 6.164 -10.391 3.798 1.00 70.52 H new ATOM 0 HG3 PRO A 18 6.131 -12.063 4.322 1.00 70.52 H new ATOM 0 HD2 PRO A 18 5.821 -10.957 1.512 1.00 54.03 H new ATOM 0 HD3 PRO A 18 6.715 -12.370 2.037 1.00 54.03 H new ATOM 267 N ALA A 19 1.146 -12.585 3.381 1.00 61.21 N ATOM 268 CA ALA A 19 -0.279 -12.310 3.098 1.00 42.35 C ATOM 269 C ALA A 19 -0.541 -10.815 2.905 1.00 44.32 C ATOM 270 O ALA A 19 -1.273 -10.425 1.998 1.00 75.31 O ATOM 271 CB ALA A 19 -1.164 -12.851 4.229 1.00 21.52 C ATOM 0 H ALA A 19 1.291 -13.143 4.223 1.00 61.21 H new ATOM 0 HA ALA A 19 -0.529 -12.819 2.167 1.00 42.35 H new ATOM 0 HB1 ALA A 19 -2.210 -12.640 4.005 1.00 21.52 H new ATOM 0 HB2 ALA A 19 -1.022 -13.928 4.319 1.00 21.52 H new ATOM 0 HB3 ALA A 19 -0.890 -12.369 5.168 1.00 21.52 H new ATOM 277 N PHE A 20 0.084 -9.992 3.774 1.00 35.31 N ATOM 278 CA PHE A 20 0.055 -8.527 3.671 1.00 73.10 C ATOM 279 C PHE A 20 0.486 -8.035 2.273 1.00 50.22 C ATOM 280 O PHE A 20 -0.225 -7.245 1.658 1.00 45.24 O ATOM 281 CB PHE A 20 0.957 -7.870 4.760 1.00 15.13 C ATOM 282 CG PHE A 20 0.943 -6.339 4.699 1.00 14.22 C ATOM 283 CD1 PHE A 20 -0.148 -5.619 5.186 1.00 15.33 C ATOM 284 CD2 PHE A 20 1.981 -5.625 4.093 1.00 43.00 C ATOM 285 CE1 PHE A 20 -0.192 -4.240 5.078 1.00 23.13 C ATOM 286 CE2 PHE A 20 1.928 -4.249 3.977 1.00 21.11 C ATOM 287 CZ PHE A 20 0.842 -3.558 4.469 1.00 41.24 C ATOM 0 H PHE A 20 0.624 -10.333 4.569 1.00 35.31 H new ATOM 0 HA PHE A 20 -0.979 -8.224 3.833 1.00 73.10 H new ATOM 0 HB2 PHE A 20 0.622 -8.193 5.746 1.00 15.13 H new ATOM 0 HB3 PHE A 20 1.981 -8.224 4.639 1.00 15.13 H new ATOM 0 HD1 PHE A 20 -0.968 -6.144 5.653 1.00 15.33 H new ATOM 0 HD2 PHE A 20 2.839 -6.158 3.709 1.00 43.00 H new ATOM 0 HE1 PHE A 20 -1.038 -3.696 5.471 1.00 23.13 H new ATOM 0 HE2 PHE A 20 2.737 -3.715 3.501 1.00 21.11 H new ATOM 0 HZ PHE A 20 0.800 -2.483 4.378 1.00 41.24 H new ATOM 297 N LEU A 21 1.633 -8.537 1.780 1.00 62.21 N ATOM 298 CA LEU A 21 2.280 -8.005 0.566 1.00 20.04 C ATOM 299 C LEU A 21 1.630 -8.543 -0.723 1.00 72.13 C ATOM 300 O LEU A 21 1.641 -7.850 -1.738 1.00 4.53 O ATOM 301 CB LEU A 21 3.814 -8.299 0.586 1.00 43.22 C ATOM 302 CG LEU A 21 4.658 -7.508 1.645 1.00 34.21 C ATOM 303 CD1 LEU A 21 6.138 -7.951 1.617 1.00 41.15 C ATOM 304 CD2 LEU A 21 4.533 -5.978 1.437 1.00 34.31 C ATOM 0 H LEU A 21 2.134 -9.316 2.207 1.00 62.21 H new ATOM 0 HA LEU A 21 2.134 -6.925 0.567 1.00 20.04 H new ATOM 0 HB2 LEU A 21 3.956 -9.365 0.762 1.00 43.22 H new ATOM 0 HB3 LEU A 21 4.217 -8.083 -0.403 1.00 43.22 H new ATOM 0 HG LEU A 21 4.255 -7.742 2.630 1.00 34.21 H new ATOM 0 HD11 LEU A 21 6.701 -7.387 2.361 1.00 41.15 H new ATOM 0 HD12 LEU A 21 6.204 -9.015 1.843 1.00 41.15 H new ATOM 0 HD13 LEU A 21 6.555 -7.764 0.628 1.00 41.15 H new ATOM 0 HD21 LEU A 21 5.130 -5.459 2.187 1.00 34.31 H new ATOM 0 HD22 LEU A 21 4.892 -5.716 0.442 1.00 34.31 H new ATOM 0 HD23 LEU A 21 3.489 -5.682 1.535 1.00 34.31 H new ATOM 316 N THR A 22 1.088 -9.784 -0.692 1.00 20.12 N ATOM 317 CA THR A 22 0.353 -10.343 -1.846 1.00 61.32 C ATOM 318 C THR A 22 -1.026 -9.654 -2.014 1.00 24.03 C ATOM 319 O THR A 22 -1.463 -9.422 -3.147 1.00 51.04 O ATOM 320 CB THR A 22 0.203 -11.910 -1.752 1.00 43.22 C ATOM 321 OG1 THR A 22 -0.303 -12.459 -2.987 1.00 34.21 O ATOM 322 CG2 THR A 22 -0.712 -12.350 -0.601 1.00 53.22 C ATOM 0 H THR A 22 1.146 -10.409 0.112 1.00 20.12 H new ATOM 0 HA THR A 22 0.946 -10.135 -2.737 1.00 61.32 H new ATOM 0 HB THR A 22 1.204 -12.294 -1.557 1.00 43.22 H new ATOM 0 HG1 THR A 22 -0.385 -13.432 -2.903 1.00 34.21 H new ATOM 0 HG21 THR A 22 -0.778 -13.438 -0.584 1.00 53.22 H new ATOM 0 HG22 THR A 22 -0.302 -11.997 0.345 1.00 53.22 H new ATOM 0 HG23 THR A 22 -1.707 -11.928 -0.745 1.00 53.22 H new ATOM 330 N LYS A 23 -1.689 -9.314 -0.878 1.00 1.34 N ATOM 331 CA LYS A 23 -2.970 -8.578 -0.887 1.00 33.23 C ATOM 332 C LYS A 23 -2.737 -7.108 -1.255 1.00 24.20 C ATOM 333 O LYS A 23 -3.571 -6.505 -1.923 1.00 12.14 O ATOM 334 CB LYS A 23 -3.699 -8.683 0.489 1.00 30.20 C ATOM 335 CG LYS A 23 -4.142 -10.108 0.930 1.00 21.42 C ATOM 336 CD LYS A 23 -5.444 -10.642 0.269 1.00 21.43 C ATOM 337 CE LYS A 23 -5.301 -11.024 -1.212 1.00 22.21 C ATOM 338 NZ LYS A 23 -6.535 -11.665 -1.740 1.00 21.31 N ATOM 0 H LYS A 23 -1.351 -9.542 0.057 1.00 1.34 H new ATOM 0 HA LYS A 23 -3.612 -9.035 -1.640 1.00 33.23 H new ATOM 0 HB2 LYS A 23 -3.040 -8.277 1.257 1.00 30.20 H new ATOM 0 HB3 LYS A 23 -4.582 -8.045 0.457 1.00 30.20 H new ATOM 0 HG2 LYS A 23 -3.333 -10.805 0.711 1.00 21.42 H new ATOM 0 HG3 LYS A 23 -4.279 -10.108 2.011 1.00 21.42 H new ATOM 0 HD2 LYS A 23 -5.785 -11.516 0.824 1.00 21.43 H new ATOM 0 HD3 LYS A 23 -6.220 -9.882 0.361 1.00 21.43 H new ATOM 0 HE2 LYS A 23 -5.076 -10.132 -1.797 1.00 22.21 H new ATOM 0 HE3 LYS A 23 -4.458 -11.705 -1.332 1.00 22.21 H new ATOM 0 HZ1 LYS A 23 -6.399 -11.908 -2.742 1.00 21.31 H new ATOM 0 HZ2 LYS A 23 -6.736 -12.530 -1.198 1.00 21.31 H new ATOM 0 HZ3 LYS A 23 -7.335 -11.006 -1.649 1.00 21.31 H new ATOM 352 N LEU A 24 -1.601 -6.550 -0.779 1.00 52.35 N ATOM 353 CA LEU A 24 -1.158 -5.189 -1.114 1.00 24.41 C ATOM 354 C LEU A 24 -0.880 -5.056 -2.616 1.00 13.22 C ATOM 355 O LEU A 24 -1.358 -4.119 -3.240 1.00 23.05 O ATOM 356 CB LEU A 24 0.112 -4.793 -0.305 1.00 74.02 C ATOM 357 CG LEU A 24 0.698 -3.368 -0.601 1.00 3.13 C ATOM 358 CD1 LEU A 24 -0.307 -2.250 -0.246 1.00 22.11 C ATOM 359 CD2 LEU A 24 2.066 -3.165 0.093 1.00 34.41 C ATOM 0 H LEU A 24 -0.966 -7.039 -0.148 1.00 52.35 H new ATOM 0 HA LEU A 24 -1.966 -4.509 -0.844 1.00 24.41 H new ATOM 0 HB2 LEU A 24 -0.124 -4.854 0.757 1.00 74.02 H new ATOM 0 HB3 LEU A 24 0.889 -5.532 -0.501 1.00 74.02 H new ATOM 0 HG LEU A 24 0.871 -3.302 -1.675 1.00 3.13 H new ATOM 0 HD11 LEU A 24 0.137 -1.279 -0.465 1.00 22.11 H new ATOM 0 HD12 LEU A 24 -1.215 -2.376 -0.836 1.00 22.11 H new ATOM 0 HD13 LEU A 24 -0.553 -2.305 0.814 1.00 22.11 H new ATOM 0 HD21 LEU A 24 2.444 -2.168 -0.133 1.00 34.41 H new ATOM 0 HD22 LEU A 24 1.947 -3.273 1.171 1.00 34.41 H new ATOM 0 HD23 LEU A 24 2.772 -3.911 -0.270 1.00 34.41 H new ATOM 371 N TRP A 25 -0.102 -5.998 -3.185 1.00 14.52 N ATOM 372 CA TRP A 25 0.216 -5.995 -4.626 1.00 25.43 C ATOM 373 C TRP A 25 -1.068 -6.107 -5.483 1.00 4.42 C ATOM 374 O TRP A 25 -1.215 -5.366 -6.468 1.00 31.41 O ATOM 375 CB TRP A 25 1.260 -7.107 -4.969 1.00 24.55 C ATOM 376 CG TRP A 25 1.499 -7.335 -6.458 1.00 12.41 C ATOM 377 CD1 TRP A 25 1.559 -8.544 -7.091 1.00 3.43 C ATOM 378 CD2 TRP A 25 1.672 -6.340 -7.500 1.00 2.44 C ATOM 379 NE1 TRP A 25 1.742 -8.372 -8.434 1.00 33.32 N ATOM 380 CE2 TRP A 25 1.812 -7.037 -8.713 1.00 61.13 C ATOM 381 CE3 TRP A 25 1.710 -4.933 -7.531 1.00 2.11 C ATOM 382 CZ2 TRP A 25 1.980 -6.394 -9.926 1.00 4.31 C ATOM 383 CZ3 TRP A 25 1.878 -4.296 -8.738 1.00 11.10 C ATOM 384 CH2 TRP A 25 2.008 -5.028 -9.923 1.00 45.22 C ATOM 0 H TRP A 25 0.318 -6.771 -2.668 1.00 14.52 H new ATOM 0 HA TRP A 25 0.675 -5.038 -4.874 1.00 25.43 H new ATOM 0 HB2 TRP A 25 2.210 -6.849 -4.500 1.00 24.55 H new ATOM 0 HB3 TRP A 25 0.929 -8.045 -4.523 1.00 24.55 H new ATOM 0 HD1 TRP A 25 1.474 -9.502 -6.599 1.00 3.43 H new ATOM 0 HE1 TRP A 25 1.815 -9.123 -9.120 1.00 33.32 H new ATOM 0 HE3 TRP A 25 1.609 -4.362 -6.620 1.00 2.11 H new ATOM 0 HZ2 TRP A 25 2.085 -6.953 -10.844 1.00 4.31 H new ATOM 0 HZ3 TRP A 25 1.910 -3.217 -8.772 1.00 11.10 H new ATOM 0 HH2 TRP A 25 2.133 -4.501 -10.857 1.00 45.22 H new ATOM 395 N THR A 26 -1.998 -7.005 -5.088 1.00 74.00 N ATOM 396 CA THR A 26 -3.332 -7.094 -5.710 1.00 24.32 C ATOM 397 C THR A 26 -4.038 -5.716 -5.675 1.00 62.13 C ATOM 398 O THR A 26 -4.431 -5.192 -6.708 1.00 21.12 O ATOM 399 CB THR A 26 -4.227 -8.164 -4.988 1.00 40.41 C ATOM 400 OG1 THR A 26 -3.566 -9.434 -4.956 1.00 32.35 O ATOM 401 CG2 THR A 26 -5.593 -8.338 -5.672 1.00 64.33 C ATOM 0 H THR A 26 -1.845 -7.679 -4.338 1.00 74.00 H new ATOM 0 HA THR A 26 -3.193 -7.402 -6.746 1.00 24.32 H new ATOM 0 HB THR A 26 -4.391 -7.798 -3.975 1.00 40.41 H new ATOM 0 HG1 THR A 26 -2.838 -9.407 -4.300 1.00 32.35 H new ATOM 0 HG21 THR A 26 -6.175 -9.088 -5.136 1.00 64.33 H new ATOM 0 HG22 THR A 26 -6.128 -7.388 -5.663 1.00 64.33 H new ATOM 0 HG23 THR A 26 -5.445 -8.661 -6.702 1.00 64.33 H new ATOM 409 N LEU A 27 -4.064 -5.131 -4.466 1.00 31.02 N ATOM 410 CA LEU A 27 -4.745 -3.868 -4.126 1.00 44.12 C ATOM 411 C LEU A 27 -4.276 -2.672 -4.987 1.00 20.54 C ATOM 412 O LEU A 27 -5.091 -1.977 -5.605 1.00 13.11 O ATOM 413 CB LEU A 27 -4.484 -3.601 -2.610 1.00 34.42 C ATOM 414 CG LEU A 27 -5.027 -2.284 -2.016 1.00 30.22 C ATOM 415 CD1 LEU A 27 -6.524 -2.151 -2.293 1.00 24.14 C ATOM 416 CD2 LEU A 27 -4.699 -2.174 -0.504 1.00 25.42 C ATOM 0 H LEU A 27 -3.590 -5.543 -3.662 1.00 31.02 H new ATOM 0 HA LEU A 27 -5.810 -3.968 -4.336 1.00 44.12 H new ATOM 0 HB2 LEU A 27 -4.913 -4.428 -2.044 1.00 34.42 H new ATOM 0 HB3 LEU A 27 -3.407 -3.626 -2.444 1.00 34.42 H new ATOM 0 HG LEU A 27 -4.527 -1.449 -2.507 1.00 30.22 H new ATOM 0 HD11 LEU A 27 -6.891 -1.217 -1.868 1.00 24.14 H new ATOM 0 HD12 LEU A 27 -6.696 -2.152 -3.369 1.00 24.14 H new ATOM 0 HD13 LEU A 27 -7.054 -2.989 -1.840 1.00 24.14 H new ATOM 0 HD21 LEU A 27 -5.094 -1.236 -0.113 1.00 25.42 H new ATOM 0 HD22 LEU A 27 -5.154 -3.009 0.029 1.00 25.42 H new ATOM 0 HD23 LEU A 27 -3.618 -2.199 -0.363 1.00 25.42 H new ATOM 428 N VAL A 28 -2.955 -2.469 -5.004 1.00 53.32 N ATOM 429 CA VAL A 28 -2.285 -1.365 -5.717 1.00 14.15 C ATOM 430 C VAL A 28 -2.535 -1.431 -7.241 1.00 63.05 C ATOM 431 O VAL A 28 -2.689 -0.397 -7.908 1.00 4.33 O ATOM 432 CB VAL A 28 -0.737 -1.406 -5.397 1.00 21.13 C ATOM 433 CG1 VAL A 28 0.069 -0.397 -6.230 1.00 42.31 C ATOM 434 CG2 VAL A 28 -0.477 -1.180 -3.892 1.00 25.21 C ATOM 0 H VAL A 28 -2.302 -3.079 -4.512 1.00 53.32 H new ATOM 0 HA VAL A 28 -2.705 -0.421 -5.370 1.00 14.15 H new ATOM 0 HB VAL A 28 -0.393 -2.403 -5.674 1.00 21.13 H new ATOM 0 HG11 VAL A 28 1.125 -0.470 -5.968 1.00 42.31 H new ATOM 0 HG12 VAL A 28 -0.058 -0.617 -7.290 1.00 42.31 H new ATOM 0 HG13 VAL A 28 -0.287 0.612 -6.023 1.00 42.31 H new ATOM 0 HG21 VAL A 28 0.595 -1.213 -3.699 1.00 25.21 H new ATOM 0 HG22 VAL A 28 -0.869 -0.207 -3.597 1.00 25.21 H new ATOM 0 HG23 VAL A 28 -0.974 -1.961 -3.316 1.00 25.21 H new ATOM 444 N SER A 29 -2.602 -2.664 -7.769 1.00 31.30 N ATOM 445 CA SER A 29 -2.755 -2.914 -9.211 1.00 11.15 C ATOM 446 C SER A 29 -4.242 -3.078 -9.599 1.00 13.51 C ATOM 447 O SER A 29 -4.562 -3.176 -10.786 1.00 15.44 O ATOM 448 CB SER A 29 -1.950 -4.182 -9.590 1.00 44.52 C ATOM 449 OG SER A 29 -1.874 -4.377 -11.001 1.00 11.15 O ATOM 0 H SER A 29 -2.552 -3.515 -7.209 1.00 31.30 H new ATOM 0 HA SER A 29 -2.370 -2.056 -9.762 1.00 11.15 H new ATOM 0 HB2 SER A 29 -0.942 -4.105 -9.182 1.00 44.52 H new ATOM 0 HB3 SER A 29 -2.414 -5.054 -9.130 1.00 44.52 H new ATOM 0 HG SER A 29 -2.726 -4.123 -11.413 1.00 11.15 H new ATOM 455 N ASP A 30 -5.145 -3.110 -8.597 1.00 51.21 N ATOM 456 CA ASP A 30 -6.575 -3.420 -8.811 1.00 13.13 C ATOM 457 C ASP A 30 -7.362 -2.158 -9.256 1.00 12.14 C ATOM 458 O ASP A 30 -7.268 -1.110 -8.602 1.00 32.21 O ATOM 459 CB ASP A 30 -7.175 -4.028 -7.518 1.00 4.12 C ATOM 460 CG ASP A 30 -8.598 -4.562 -7.706 1.00 61.14 C ATOM 461 OD1 ASP A 30 -8.765 -5.734 -8.121 1.00 74.33 O ATOM 462 OD2 ASP A 30 -9.557 -3.826 -7.436 1.00 73.15 O ATOM 0 H ASP A 30 -4.906 -2.923 -7.623 1.00 51.21 H new ATOM 0 HA ASP A 30 -6.660 -4.151 -9.615 1.00 13.13 H new ATOM 0 HB2 ASP A 30 -6.533 -4.838 -7.173 1.00 4.12 H new ATOM 0 HB3 ASP A 30 -7.179 -3.269 -6.735 1.00 4.12 H new ATOM 467 N PRO A 31 -8.173 -2.244 -10.372 1.00 42.34 N ATOM 468 CA PRO A 31 -8.898 -1.081 -10.929 1.00 10.01 C ATOM 469 C PRO A 31 -10.217 -0.745 -10.187 1.00 5.31 C ATOM 470 O PRO A 31 -10.827 0.277 -10.487 1.00 12.15 O ATOM 471 CB PRO A 31 -9.165 -1.520 -12.386 1.00 42.14 C ATOM 472 CG PRO A 31 -9.364 -3.003 -12.293 1.00 24.02 C ATOM 473 CD PRO A 31 -8.423 -3.473 -11.193 1.00 10.33 C ATOM 0 HA PRO A 31 -8.322 -0.160 -10.834 1.00 10.01 H new ATOM 0 HB2 PRO A 31 -10.045 -1.025 -12.796 1.00 42.14 H new ATOM 0 HB3 PRO A 31 -8.327 -1.271 -13.037 1.00 42.14 H new ATOM 0 HG2 PRO A 31 -10.399 -3.245 -12.053 1.00 24.02 H new ATOM 0 HG3 PRO A 31 -9.134 -3.490 -13.241 1.00 24.02 H new ATOM 0 HD2 PRO A 31 -8.873 -4.266 -10.596 1.00 10.33 H new ATOM 0 HD3 PRO A 31 -7.496 -3.872 -11.605 1.00 10.33 H new ATOM 481 N ASP A 32 -10.681 -1.621 -9.268 1.00 60.32 N ATOM 482 CA ASP A 32 -11.881 -1.354 -8.424 1.00 13.02 C ATOM 483 C ASP A 32 -11.515 -0.447 -7.233 1.00 74.24 C ATOM 484 O ASP A 32 -12.358 0.300 -6.726 1.00 13.13 O ATOM 485 CB ASP A 32 -12.511 -2.695 -7.938 1.00 42.34 C ATOM 486 CG ASP A 32 -13.699 -2.534 -6.965 1.00 60.14 C ATOM 487 OD1 ASP A 32 -14.837 -2.312 -7.432 1.00 35.02 O ATOM 488 OD2 ASP A 32 -13.512 -2.662 -5.731 1.00 40.32 O ATOM 0 H ASP A 32 -10.244 -2.525 -9.087 1.00 60.32 H new ATOM 0 HA ASP A 32 -12.623 -0.830 -9.027 1.00 13.02 H new ATOM 0 HB2 ASP A 32 -12.845 -3.260 -8.808 1.00 42.34 H new ATOM 0 HB3 ASP A 32 -11.738 -3.289 -7.451 1.00 42.34 H new ATOM 493 N THR A 33 -10.248 -0.513 -6.805 1.00 41.15 N ATOM 494 CA THR A 33 -9.732 0.267 -5.669 1.00 1.44 C ATOM 495 C THR A 33 -8.836 1.443 -6.118 1.00 24.43 C ATOM 496 O THR A 33 -8.246 2.115 -5.268 1.00 34.40 O ATOM 497 CB THR A 33 -8.964 -0.678 -4.690 1.00 25.33 C ATOM 498 OG1 THR A 33 -8.077 -1.537 -5.423 1.00 52.32 O ATOM 499 CG2 THR A 33 -9.924 -1.549 -3.864 1.00 74.41 C ATOM 0 H THR A 33 -9.546 -1.113 -7.239 1.00 41.15 H new ATOM 0 HA THR A 33 -10.584 0.709 -5.153 1.00 1.44 H new ATOM 0 HB THR A 33 -8.398 -0.042 -4.009 1.00 25.33 H new ATOM 0 HG1 THR A 33 -7.260 -1.046 -5.651 1.00 52.32 H new ATOM 0 HG21 THR A 33 -9.350 -2.191 -3.196 1.00 74.41 H new ATOM 0 HG22 THR A 33 -10.581 -0.909 -3.275 1.00 74.41 H new ATOM 0 HG23 THR A 33 -10.523 -2.166 -4.534 1.00 74.41 H new ATOM 507 N ASP A 34 -8.820 1.721 -7.443 1.00 31.13 N ATOM 508 CA ASP A 34 -7.948 2.751 -8.070 1.00 31.40 C ATOM 509 C ASP A 34 -8.156 4.155 -7.456 1.00 61.04 C ATOM 510 O ASP A 34 -7.210 4.951 -7.380 1.00 14.22 O ATOM 511 CB ASP A 34 -8.205 2.803 -9.609 1.00 41.25 C ATOM 512 CG ASP A 34 -9.571 3.420 -9.993 1.00 53.00 C ATOM 513 OD1 ASP A 34 -10.609 2.917 -9.520 1.00 13.21 O ATOM 514 OD2 ASP A 34 -9.614 4.408 -10.757 1.00 50.32 O ATOM 0 H ASP A 34 -9.415 1.235 -8.114 1.00 31.13 H new ATOM 0 HA ASP A 34 -6.916 2.461 -7.875 1.00 31.40 H new ATOM 0 HB2 ASP A 34 -7.410 3.380 -10.081 1.00 41.25 H new ATOM 0 HB3 ASP A 34 -8.147 1.792 -10.012 1.00 41.25 H new ATOM 519 N ALA A 35 -9.405 4.432 -7.023 1.00 20.21 N ATOM 520 CA ALA A 35 -9.812 5.737 -6.472 1.00 1.32 C ATOM 521 C ALA A 35 -9.065 6.101 -5.171 1.00 75.31 C ATOM 522 O ALA A 35 -8.701 7.265 -4.972 1.00 12.44 O ATOM 523 CB ALA A 35 -11.332 5.764 -6.248 1.00 41.54 C ATOM 0 H ALA A 35 -10.162 3.749 -7.047 1.00 20.21 H new ATOM 0 HA ALA A 35 -9.538 6.493 -7.207 1.00 1.32 H new ATOM 0 HB1 ALA A 35 -11.623 6.732 -5.841 1.00 41.54 H new ATOM 0 HB2 ALA A 35 -11.843 5.602 -7.197 1.00 41.54 H new ATOM 0 HB3 ALA A 35 -11.610 4.977 -5.547 1.00 41.54 H new ATOM 529 N LEU A 36 -8.820 5.102 -4.297 1.00 30.30 N ATOM 530 CA LEU A 36 -8.203 5.334 -2.966 1.00 61.01 C ATOM 531 C LEU A 36 -6.782 4.755 -2.886 1.00 1.31 C ATOM 532 O LEU A 36 -6.101 4.948 -1.876 1.00 42.32 O ATOM 533 CB LEU A 36 -9.090 4.747 -1.831 1.00 32.12 C ATOM 534 CG LEU A 36 -10.507 5.382 -1.668 1.00 20.04 C ATOM 535 CD1 LEU A 36 -11.250 4.758 -0.471 1.00 51.24 C ATOM 536 CD2 LEU A 36 -10.430 6.924 -1.541 1.00 25.32 C ATOM 0 H LEU A 36 -9.039 4.124 -4.486 1.00 30.30 H new ATOM 0 HA LEU A 36 -8.131 6.413 -2.830 1.00 61.01 H new ATOM 0 HB2 LEU A 36 -9.211 3.678 -2.008 1.00 32.12 H new ATOM 0 HB3 LEU A 36 -8.555 4.855 -0.887 1.00 32.12 H new ATOM 0 HG LEU A 36 -11.076 5.162 -2.571 1.00 20.04 H new ATOM 0 HD11 LEU A 36 -12.235 5.215 -0.376 1.00 51.24 H new ATOM 0 HD12 LEU A 36 -11.361 3.686 -0.631 1.00 51.24 H new ATOM 0 HD13 LEU A 36 -10.680 4.931 0.442 1.00 51.24 H new ATOM 0 HD21 LEU A 36 -11.435 7.331 -1.429 1.00 25.32 H new ATOM 0 HD22 LEU A 36 -9.833 7.188 -0.668 1.00 25.32 H new ATOM 0 HD23 LEU A 36 -9.968 7.340 -2.436 1.00 25.32 H new ATOM 548 N ILE A 37 -6.366 3.989 -3.916 1.00 31.02 N ATOM 549 CA ILE A 37 -4.981 3.499 -4.033 1.00 4.50 C ATOM 550 C ILE A 37 -4.673 3.039 -5.472 1.00 74.42 C ATOM 551 O ILE A 37 -5.473 2.337 -6.092 1.00 34.10 O ATOM 552 CB ILE A 37 -4.697 2.344 -3.008 1.00 42.41 C ATOM 553 CG1 ILE A 37 -3.202 1.873 -3.041 1.00 34.11 C ATOM 554 CG2 ILE A 37 -5.686 1.169 -3.206 1.00 53.12 C ATOM 555 CD1 ILE A 37 -2.819 0.904 -1.930 1.00 42.31 C ATOM 0 H ILE A 37 -6.974 3.697 -4.681 1.00 31.02 H new ATOM 0 HA ILE A 37 -4.318 4.331 -3.795 1.00 4.50 H new ATOM 0 HB ILE A 37 -4.864 2.747 -2.009 1.00 42.41 H new ATOM 0 HG12 ILE A 37 -3.005 1.399 -4.003 1.00 34.11 H new ATOM 0 HG13 ILE A 37 -2.557 2.749 -2.979 1.00 34.11 H new ATOM 0 HG21 ILE A 37 -5.467 0.383 -2.483 1.00 53.12 H new ATOM 0 HG22 ILE A 37 -6.706 1.523 -3.058 1.00 53.12 H new ATOM 0 HG23 ILE A 37 -5.582 0.772 -4.216 1.00 53.12 H new ATOM 0 HD11 ILE A 37 -1.768 0.632 -2.031 1.00 42.31 H new ATOM 0 HD12 ILE A 37 -2.980 1.379 -0.962 1.00 42.31 H new ATOM 0 HD13 ILE A 37 -3.435 0.007 -2.001 1.00 42.31 H new ATOM 567 N CYS A 38 -3.506 3.456 -5.987 1.00 44.24 N ATOM 568 CA CYS A 38 -2.988 2.994 -7.286 1.00 43.35 C ATOM 569 C CYS A 38 -1.481 3.284 -7.381 1.00 54.32 C ATOM 570 O CYS A 38 -0.972 4.187 -6.705 1.00 75.04 O ATOM 571 CB CYS A 38 -3.768 3.660 -8.442 1.00 45.32 C ATOM 572 SG CYS A 38 -3.926 5.453 -8.298 1.00 45.15 S ATOM 0 H CYS A 38 -2.895 4.123 -5.516 1.00 44.24 H new ATOM 0 HA CYS A 38 -3.131 1.917 -7.369 1.00 43.35 H new ATOM 0 HB2 CYS A 38 -3.270 3.426 -9.383 1.00 45.32 H new ATOM 0 HB3 CYS A 38 -4.765 3.222 -8.491 1.00 45.32 H new ATOM 0 HG CYS A 38 -5.137 5.754 -7.935 1.00 45.15 H new ATOM 578 N TRP A 39 -0.788 2.516 -8.245 1.00 64.31 N ATOM 579 CA TRP A 39 0.677 2.611 -8.422 1.00 4.42 C ATOM 580 C TRP A 39 1.037 3.838 -9.264 1.00 23.31 C ATOM 581 O TRP A 39 0.255 4.260 -10.123 1.00 22.52 O ATOM 582 CB TRP A 39 1.274 1.307 -9.054 1.00 71.41 C ATOM 583 CG TRP A 39 0.653 0.857 -10.369 1.00 24.22 C ATOM 584 CD1 TRP A 39 -0.585 0.300 -10.556 1.00 25.52 C ATOM 585 CD2 TRP A 39 1.261 0.893 -11.668 1.00 53.21 C ATOM 586 NE1 TRP A 39 -0.785 0.022 -11.884 1.00 42.30 N ATOM 587 CE2 TRP A 39 0.333 0.376 -12.587 1.00 55.44 C ATOM 588 CE3 TRP A 39 2.501 1.327 -12.138 1.00 4.52 C ATOM 589 CZ2 TRP A 39 0.608 0.281 -13.947 1.00 43.02 C ATOM 590 CZ3 TRP A 39 2.779 1.234 -13.484 1.00 52.43 C ATOM 591 CH2 TRP A 39 1.835 0.717 -14.378 1.00 52.32 C ATOM 0 H TRP A 39 -1.226 1.813 -8.840 1.00 64.31 H new ATOM 0 HA TRP A 39 1.122 2.724 -7.433 1.00 4.42 H new ATOM 0 HB2 TRP A 39 2.341 1.460 -9.213 1.00 71.41 H new ATOM 0 HB3 TRP A 39 1.172 0.497 -8.331 1.00 71.41 H new ATOM 0 HD1 TRP A 39 -1.301 0.108 -9.770 1.00 25.52 H new ATOM 0 HE1 TRP A 39 -1.632 -0.384 -12.283 1.00 42.30 H new ATOM 0 HE3 TRP A 39 3.234 1.731 -11.455 1.00 4.52 H new ATOM 0 HZ2 TRP A 39 -0.118 -0.121 -14.638 1.00 43.02 H new ATOM 0 HZ3 TRP A 39 3.738 1.565 -13.854 1.00 52.43 H new ATOM 0 HH2 TRP A 39 2.077 0.660 -15.429 1.00 52.32 H new ATOM 602 N SER A 40 2.230 4.393 -9.006 1.00 34.33 N ATOM 603 CA SER A 40 2.773 5.529 -9.761 1.00 22.34 C ATOM 604 C SER A 40 3.269 5.017 -11.132 1.00 62.04 C ATOM 605 O SER A 40 3.747 3.895 -11.191 1.00 60.42 O ATOM 606 CB SER A 40 3.947 6.150 -8.963 1.00 1.42 C ATOM 607 OG SER A 40 3.566 6.497 -7.640 1.00 75.22 O ATOM 0 H SER A 40 2.848 4.064 -8.264 1.00 34.33 H new ATOM 0 HA SER A 40 2.008 6.290 -9.914 1.00 22.34 H new ATOM 0 HB2 SER A 40 4.776 5.443 -8.928 1.00 1.42 H new ATOM 0 HB3 SER A 40 4.308 7.038 -9.481 1.00 1.42 H new ATOM 0 HG SER A 40 4.315 6.332 -7.030 1.00 75.22 H new ATOM 613 N PRO A 41 3.194 5.817 -12.250 1.00 22.41 N ATOM 614 CA PRO A 41 3.724 5.389 -13.589 1.00 54.24 C ATOM 615 C PRO A 41 5.241 5.020 -13.573 1.00 62.44 C ATOM 616 O PRO A 41 5.757 4.446 -14.542 1.00 53.42 O ATOM 617 CB PRO A 41 3.433 6.616 -14.492 1.00 4.23 C ATOM 618 CG PRO A 41 2.300 7.333 -13.806 1.00 44.43 C ATOM 619 CD PRO A 41 2.566 7.166 -12.322 1.00 43.42 C ATOM 0 HA PRO A 41 3.252 4.471 -13.938 1.00 54.24 H new ATOM 0 HB2 PRO A 41 4.310 7.257 -14.584 1.00 4.23 H new ATOM 0 HB3 PRO A 41 3.155 6.309 -15.500 1.00 4.23 H new ATOM 0 HG2 PRO A 41 2.274 8.386 -14.085 1.00 44.43 H new ATOM 0 HG3 PRO A 41 1.337 6.905 -14.084 1.00 44.43 H new ATOM 0 HD2 PRO A 41 3.229 7.942 -11.940 1.00 43.42 H new ATOM 0 HD3 PRO A 41 1.647 7.216 -11.738 1.00 43.42 H new ATOM 627 N SER A 42 5.927 5.384 -12.465 1.00 34.21 N ATOM 628 CA SER A 42 7.299 4.946 -12.146 1.00 10.24 C ATOM 629 C SER A 42 7.341 3.414 -11.886 1.00 22.31 C ATOM 630 O SER A 42 8.236 2.703 -12.361 1.00 55.15 O ATOM 631 CB SER A 42 7.786 5.718 -10.891 1.00 10.22 C ATOM 632 OG SER A 42 7.526 7.108 -11.012 1.00 44.20 O ATOM 0 H SER A 42 5.532 6.002 -11.756 1.00 34.21 H new ATOM 0 HA SER A 42 7.954 5.159 -12.991 1.00 10.24 H new ATOM 0 HB2 SER A 42 7.287 5.328 -10.004 1.00 10.22 H new ATOM 0 HB3 SER A 42 8.855 5.556 -10.753 1.00 10.22 H new ATOM 0 HG SER A 42 7.841 7.571 -10.208 1.00 44.20 H new ATOM 638 N GLY A 43 6.340 2.940 -11.113 1.00 31.20 N ATOM 639 CA GLY A 43 6.162 1.515 -10.794 1.00 53.41 C ATOM 640 C GLY A 43 6.777 1.091 -9.459 1.00 21.22 C ATOM 641 O GLY A 43 6.488 0.000 -8.967 1.00 71.42 O ATOM 0 H GLY A 43 5.632 3.542 -10.693 1.00 31.20 H new ATOM 0 HA2 GLY A 43 5.096 1.288 -10.779 1.00 53.41 H new ATOM 0 HA3 GLY A 43 6.604 0.917 -11.591 1.00 53.41 H new ATOM 645 N ASN A 44 7.587 1.986 -8.859 1.00 21.23 N ATOM 646 CA ASN A 44 8.411 1.700 -7.656 1.00 74.34 C ATOM 647 C ASN A 44 7.767 2.275 -6.376 1.00 21.32 C ATOM 648 O ASN A 44 8.349 2.209 -5.280 1.00 64.34 O ATOM 649 CB ASN A 44 9.856 2.266 -7.854 1.00 24.54 C ATOM 650 CG ASN A 44 9.928 3.746 -8.262 1.00 62.01 C ATOM 651 OD1 ASN A 44 9.026 4.544 -8.003 1.00 64.23 O ATOM 652 ND2 ASN A 44 11.018 4.125 -8.893 1.00 51.13 N ATOM 0 H ASN A 44 7.692 2.943 -9.197 1.00 21.23 H new ATOM 0 HA ASN A 44 8.467 0.619 -7.531 1.00 74.34 H new ATOM 0 HB2 ASN A 44 10.411 2.134 -6.925 1.00 24.54 H new ATOM 0 HB3 ASN A 44 10.361 1.671 -8.615 1.00 24.54 H new ATOM 0 HD21 ASN A 44 11.130 5.098 -9.179 1.00 51.13 H new ATOM 0 HD22 ASN A 44 11.752 3.446 -9.097 1.00 51.13 H new ATOM 659 N SER A 45 6.546 2.799 -6.530 1.00 64.02 N ATOM 660 CA SER A 45 5.837 3.550 -5.491 1.00 51.14 C ATOM 661 C SER A 45 4.324 3.510 -5.765 1.00 65.42 C ATOM 662 O SER A 45 3.903 3.188 -6.885 1.00 42.24 O ATOM 663 CB SER A 45 6.362 5.009 -5.463 1.00 2.33 C ATOM 664 OG SER A 45 6.360 5.603 -6.758 1.00 53.30 O ATOM 0 H SER A 45 6.014 2.711 -7.396 1.00 64.02 H new ATOM 0 HA SER A 45 6.018 3.099 -4.515 1.00 51.14 H new ATOM 0 HB2 SER A 45 5.744 5.604 -4.791 1.00 2.33 H new ATOM 0 HB3 SER A 45 7.375 5.022 -5.060 1.00 2.33 H new ATOM 0 HG SER A 45 7.168 5.333 -7.243 1.00 53.30 H new ATOM 670 N PHE A 46 3.507 3.814 -4.731 1.00 44.14 N ATOM 671 CA PHE A 46 2.037 3.869 -4.866 1.00 65.55 C ATOM 672 C PHE A 46 1.447 4.946 -3.946 1.00 22.42 C ATOM 673 O PHE A 46 1.952 5.167 -2.848 1.00 40.12 O ATOM 674 CB PHE A 46 1.399 2.481 -4.571 1.00 63.31 C ATOM 675 CG PHE A 46 1.618 1.913 -3.156 1.00 64.24 C ATOM 676 CD1 PHE A 46 2.788 1.222 -2.830 1.00 14.43 C ATOM 677 CD2 PHE A 46 0.644 2.049 -2.159 1.00 3.12 C ATOM 678 CE1 PHE A 46 2.978 0.692 -1.562 1.00 30.43 C ATOM 679 CE2 PHE A 46 0.837 1.516 -0.893 1.00 72.13 C ATOM 680 CZ PHE A 46 2.004 0.840 -0.598 1.00 31.42 C ATOM 0 H PHE A 46 3.844 4.025 -3.792 1.00 44.14 H new ATOM 0 HA PHE A 46 1.802 4.135 -5.897 1.00 65.55 H new ATOM 0 HB2 PHE A 46 0.326 2.554 -4.747 1.00 63.31 H new ATOM 0 HB3 PHE A 46 1.793 1.764 -5.292 1.00 63.31 H new ATOM 0 HD1 PHE A 46 3.557 1.098 -3.578 1.00 14.43 H new ATOM 0 HD2 PHE A 46 -0.272 2.577 -2.379 1.00 3.12 H new ATOM 0 HE1 PHE A 46 3.890 0.163 -1.330 1.00 30.43 H new ATOM 0 HE2 PHE A 46 0.074 1.630 -0.137 1.00 72.13 H new ATOM 0 HZ PHE A 46 2.154 0.427 0.389 1.00 31.42 H new ATOM 690 N HIS A 47 0.351 5.587 -4.407 1.00 3.43 N ATOM 691 CA HIS A 47 -0.328 6.673 -3.674 1.00 11.24 C ATOM 692 C HIS A 47 -1.611 6.133 -3.023 1.00 25.21 C ATOM 693 O HIS A 47 -2.300 5.290 -3.601 1.00 4.15 O ATOM 694 CB HIS A 47 -0.663 7.849 -4.628 1.00 50.24 C ATOM 695 CG HIS A 47 0.549 8.533 -5.213 1.00 54.52 C ATOM 696 ND1 HIS A 47 0.985 9.778 -4.814 1.00 32.11 N ATOM 697 CD2 HIS A 47 1.418 8.130 -6.176 1.00 63.33 C ATOM 698 CE1 HIS A 47 2.065 10.102 -5.503 1.00 61.12 C ATOM 699 NE2 HIS A 47 2.346 9.124 -6.332 1.00 44.22 N ATOM 0 H HIS A 47 -0.087 5.364 -5.301 1.00 3.43 H new ATOM 0 HA HIS A 47 0.339 7.045 -2.897 1.00 11.24 H new ATOM 0 HB2 HIS A 47 -1.285 7.476 -5.442 1.00 50.24 H new ATOM 0 HB3 HIS A 47 -1.256 8.585 -4.085 1.00 50.24 H new ATOM 0 HD2 HIS A 47 1.383 7.197 -6.719 1.00 63.33 H new ATOM 0 HE1 HIS A 47 2.624 11.020 -5.401 1.00 61.12 H new ATOM 0 HE2 HIS A 47 3.129 9.107 -6.986 1.00 44.22 H new ATOM 708 N VAL A 48 -1.908 6.645 -1.819 1.00 64.12 N ATOM 709 CA VAL A 48 -3.084 6.276 -1.016 1.00 14.32 C ATOM 710 C VAL A 48 -3.871 7.560 -0.731 1.00 3.42 C ATOM 711 O VAL A 48 -3.330 8.512 -0.154 1.00 22.22 O ATOM 712 CB VAL A 48 -2.680 5.568 0.346 1.00 71.13 C ATOM 713 CG1 VAL A 48 -3.915 5.309 1.246 1.00 4.14 C ATOM 714 CG2 VAL A 48 -1.894 4.253 0.082 1.00 35.15 C ATOM 0 H VAL A 48 -1.322 7.345 -1.365 1.00 64.12 H new ATOM 0 HA VAL A 48 -3.687 5.559 -1.572 1.00 14.32 H new ATOM 0 HB VAL A 48 -2.023 6.251 0.885 1.00 71.13 H new ATOM 0 HG11 VAL A 48 -3.597 4.823 2.169 1.00 4.14 H new ATOM 0 HG12 VAL A 48 -4.398 6.257 1.483 1.00 4.14 H new ATOM 0 HG13 VAL A 48 -4.619 4.664 0.720 1.00 4.14 H new ATOM 0 HG21 VAL A 48 -1.630 3.790 1.033 1.00 35.15 H new ATOM 0 HG22 VAL A 48 -2.514 3.568 -0.496 1.00 35.15 H new ATOM 0 HG23 VAL A 48 -0.985 4.478 -0.476 1.00 35.15 H new ATOM 724 N PHE A 49 -5.140 7.568 -1.151 1.00 70.42 N ATOM 725 CA PHE A 49 -6.032 8.725 -1.016 1.00 55.33 C ATOM 726 C PHE A 49 -7.035 8.475 0.107 1.00 64.03 C ATOM 727 O PHE A 49 -7.512 7.337 0.267 1.00 45.13 O ATOM 728 CB PHE A 49 -6.775 8.995 -2.351 1.00 15.13 C ATOM 729 CG PHE A 49 -5.829 9.308 -3.505 1.00 51.43 C ATOM 730 CD1 PHE A 49 -5.291 8.281 -4.286 1.00 71.23 C ATOM 731 CD2 PHE A 49 -5.450 10.618 -3.785 1.00 4.02 C ATOM 732 CE1 PHE A 49 -4.404 8.560 -5.307 1.00 13.13 C ATOM 733 CE2 PHE A 49 -4.570 10.896 -4.811 1.00 65.22 C ATOM 734 CZ PHE A 49 -4.044 9.869 -5.567 1.00 52.42 C ATOM 0 H PHE A 49 -5.581 6.765 -1.598 1.00 70.42 H new ATOM 0 HA PHE A 49 -5.436 9.604 -0.771 1.00 55.33 H new ATOM 0 HB2 PHE A 49 -7.377 8.124 -2.608 1.00 15.13 H new ATOM 0 HB3 PHE A 49 -7.463 9.830 -2.216 1.00 15.13 H new ATOM 0 HD1 PHE A 49 -5.572 7.257 -4.089 1.00 71.23 H new ATOM 0 HD2 PHE A 49 -5.850 11.427 -3.192 1.00 4.02 H new ATOM 0 HE1 PHE A 49 -3.993 7.757 -5.901 1.00 13.13 H new ATOM 0 HE2 PHE A 49 -4.293 11.918 -5.022 1.00 65.22 H new ATOM 0 HZ PHE A 49 -3.349 10.088 -6.364 1.00 52.42 H new ATOM 744 N ASP A 50 -7.372 9.571 0.825 1.00 54.12 N ATOM 745 CA ASP A 50 -8.339 9.589 1.940 1.00 0.02 C ATOM 746 C ASP A 50 -8.171 8.384 2.891 1.00 54.11 C ATOM 747 O ASP A 50 -8.981 7.471 2.874 1.00 64.34 O ATOM 748 CB ASP A 50 -9.790 9.713 1.390 1.00 11.25 C ATOM 749 CG ASP A 50 -10.051 11.098 0.769 1.00 55.04 C ATOM 750 OD1 ASP A 50 -9.521 11.379 -0.328 1.00 34.41 O ATOM 751 OD2 ASP A 50 -10.771 11.921 1.387 1.00 20.15 O ATOM 0 H ASP A 50 -6.967 10.489 0.638 1.00 54.12 H new ATOM 0 HA ASP A 50 -8.131 10.469 2.549 1.00 0.02 H new ATOM 0 HB2 ASP A 50 -9.962 8.941 0.640 1.00 11.25 H new ATOM 0 HB3 ASP A 50 -10.501 9.537 2.197 1.00 11.25 H new ATOM 756 N GLN A 51 -7.086 8.415 3.698 1.00 13.22 N ATOM 757 CA GLN A 51 -6.683 7.312 4.610 1.00 65.21 C ATOM 758 C GLN A 51 -7.814 6.860 5.572 1.00 22.20 C ATOM 759 O GLN A 51 -7.826 5.702 6.001 1.00 22.43 O ATOM 760 CB GLN A 51 -5.414 7.718 5.407 1.00 51.34 C ATOM 761 CG GLN A 51 -4.176 7.997 4.517 1.00 44.52 C ATOM 762 CD GLN A 51 -2.952 8.461 5.310 1.00 71.13 C ATOM 763 OE1 GLN A 51 -2.751 9.655 5.535 1.00 24.14 O ATOM 764 NE2 GLN A 51 -2.127 7.513 5.738 1.00 61.24 N ATOM 0 H GLN A 51 -6.455 9.216 3.737 1.00 13.22 H new ATOM 0 HA GLN A 51 -6.462 6.450 3.981 1.00 65.21 H new ATOM 0 HB2 GLN A 51 -5.635 8.609 5.994 1.00 51.34 H new ATOM 0 HB3 GLN A 51 -5.170 6.924 6.113 1.00 51.34 H new ATOM 0 HG2 GLN A 51 -3.922 7.091 3.966 1.00 44.52 H new ATOM 0 HG3 GLN A 51 -4.432 8.757 3.779 1.00 44.52 H new ATOM 0 HE21 GLN A 51 -2.325 6.534 5.533 1.00 61.24 H new ATOM 0 HE22 GLN A 51 -1.295 7.764 6.272 1.00 61.24 H new ATOM 773 N GLY A 52 -8.754 7.774 5.895 1.00 50.41 N ATOM 774 CA GLY A 52 -9.950 7.430 6.685 1.00 13.20 C ATOM 775 C GLY A 52 -10.931 6.537 5.915 1.00 41.43 C ATOM 776 O GLY A 52 -11.373 5.506 6.425 1.00 61.43 O ATOM 0 H GLY A 52 -8.705 8.755 5.620 1.00 50.41 H new ATOM 0 HA2 GLY A 52 -9.643 6.922 7.599 1.00 13.20 H new ATOM 0 HA3 GLY A 52 -10.458 8.346 6.985 1.00 13.20 H new ATOM 780 N GLN A 53 -11.228 6.945 4.658 1.00 74.24 N ATOM 781 CA GLN A 53 -12.175 6.238 3.756 1.00 31.13 C ATOM 782 C GLN A 53 -11.565 4.909 3.259 1.00 11.25 C ATOM 783 O GLN A 53 -12.261 3.900 3.113 1.00 24.44 O ATOM 784 CB GLN A 53 -12.518 7.164 2.552 1.00 25.43 C ATOM 785 CG GLN A 53 -13.545 6.605 1.530 1.00 71.34 C ATOM 786 CD GLN A 53 -14.976 6.500 2.067 1.00 62.03 C ATOM 787 OE1 GLN A 53 -15.390 7.270 2.933 1.00 64.01 O ATOM 788 NE2 GLN A 53 -15.755 5.559 1.549 1.00 51.10 N ATOM 0 H GLN A 53 -10.816 7.778 4.237 1.00 74.24 H new ATOM 0 HA GLN A 53 -13.087 6.002 4.305 1.00 31.13 H new ATOM 0 HB2 GLN A 53 -12.901 8.107 2.943 1.00 25.43 H new ATOM 0 HB3 GLN A 53 -11.594 7.392 2.020 1.00 25.43 H new ATOM 0 HG2 GLN A 53 -13.547 7.245 0.647 1.00 71.34 H new ATOM 0 HG3 GLN A 53 -13.217 5.617 1.207 1.00 71.34 H new ATOM 0 HE21 GLN A 53 -15.390 4.932 0.832 1.00 51.10 H new ATOM 0 HE22 GLN A 53 -16.719 5.463 1.868 1.00 51.10 H new ATOM 797 N PHE A 54 -10.249 4.946 3.010 1.00 12.34 N ATOM 798 CA PHE A 54 -9.429 3.793 2.605 1.00 34.33 C ATOM 799 C PHE A 54 -9.444 2.723 3.703 1.00 75.10 C ATOM 800 O PHE A 54 -9.695 1.547 3.437 1.00 12.20 O ATOM 801 CB PHE A 54 -7.980 4.298 2.299 1.00 42.32 C ATOM 802 CG PHE A 54 -6.921 3.226 2.006 1.00 52.20 C ATOM 803 CD1 PHE A 54 -6.698 2.758 0.711 1.00 73.43 C ATOM 804 CD2 PHE A 54 -6.130 2.698 3.034 1.00 11.24 C ATOM 805 CE1 PHE A 54 -5.729 1.799 0.462 1.00 43.35 C ATOM 806 CE2 PHE A 54 -5.165 1.743 2.775 1.00 63.50 C ATOM 807 CZ PHE A 54 -4.967 1.293 1.492 1.00 25.41 C ATOM 0 H PHE A 54 -9.707 5.807 3.087 1.00 12.34 H new ATOM 0 HA PHE A 54 -9.835 3.331 1.705 1.00 34.33 H new ATOM 0 HB2 PHE A 54 -8.028 4.971 1.443 1.00 42.32 H new ATOM 0 HB3 PHE A 54 -7.639 4.889 3.149 1.00 42.32 H new ATOM 0 HD1 PHE A 54 -7.287 3.147 -0.106 1.00 73.43 H new ATOM 0 HD2 PHE A 54 -6.277 3.043 4.047 1.00 11.24 H new ATOM 0 HE1 PHE A 54 -5.570 1.446 -0.546 1.00 43.35 H new ATOM 0 HE2 PHE A 54 -4.565 1.350 3.583 1.00 63.50 H new ATOM 0 HZ PHE A 54 -4.215 0.544 1.291 1.00 25.41 H new ATOM 817 N ALA A 55 -9.195 3.151 4.942 1.00 73.45 N ATOM 818 CA ALA A 55 -9.216 2.255 6.105 1.00 62.15 C ATOM 819 C ALA A 55 -10.615 1.641 6.324 1.00 41.33 C ATOM 820 O ALA A 55 -10.743 0.498 6.760 1.00 13.41 O ATOM 821 CB ALA A 55 -8.750 3.005 7.359 1.00 22.32 C ATOM 0 H ALA A 55 -8.974 4.121 5.169 1.00 73.45 H new ATOM 0 HA ALA A 55 -8.527 1.433 5.909 1.00 62.15 H new ATOM 0 HB1 ALA A 55 -8.770 2.330 8.215 1.00 22.32 H new ATOM 0 HB2 ALA A 55 -7.734 3.370 7.208 1.00 22.32 H new ATOM 0 HB3 ALA A 55 -9.414 3.848 7.546 1.00 22.32 H new ATOM 827 N LYS A 56 -11.641 2.429 5.985 1.00 60.43 N ATOM 828 CA LYS A 56 -13.061 2.076 6.160 1.00 53.13 C ATOM 829 C LYS A 56 -13.525 0.917 5.241 1.00 43.34 C ATOM 830 O LYS A 56 -14.091 -0.064 5.728 1.00 55.21 O ATOM 831 CB LYS A 56 -13.897 3.352 5.865 1.00 13.03 C ATOM 832 CG LYS A 56 -15.428 3.149 5.710 1.00 71.44 C ATOM 833 CD LYS A 56 -16.026 4.102 4.650 1.00 0.24 C ATOM 834 CE LYS A 56 -17.535 3.930 4.469 1.00 42.43 C ATOM 835 NZ LYS A 56 -17.906 2.575 3.999 1.00 23.35 N ATOM 0 H LYS A 56 -11.508 3.352 5.572 1.00 60.43 H new ATOM 0 HA LYS A 56 -13.204 1.721 7.181 1.00 53.13 H new ATOM 0 HB2 LYS A 56 -13.726 4.067 6.670 1.00 13.03 H new ATOM 0 HB3 LYS A 56 -13.517 3.806 4.950 1.00 13.03 H new ATOM 0 HG2 LYS A 56 -15.631 2.116 5.427 1.00 71.44 H new ATOM 0 HG3 LYS A 56 -15.917 3.319 6.669 1.00 71.44 H new ATOM 0 HD2 LYS A 56 -15.816 5.132 4.937 1.00 0.24 H new ATOM 0 HD3 LYS A 56 -15.530 3.930 3.695 1.00 0.24 H new ATOM 0 HE2 LYS A 56 -18.035 4.131 5.416 1.00 42.43 H new ATOM 0 HE3 LYS A 56 -17.897 4.669 3.755 1.00 42.43 H new ATOM 0 HZ1 LYS A 56 -18.929 2.540 3.813 1.00 23.35 H new ATOM 0 HZ2 LYS A 56 -17.387 2.357 3.125 1.00 23.35 H new ATOM 0 HZ3 LYS A 56 -17.663 1.876 4.729 1.00 23.35 H new ATOM 849 N GLU A 57 -13.333 1.067 3.912 1.00 61.33 N ATOM 850 CA GLU A 57 -13.903 0.129 2.899 1.00 62.23 C ATOM 851 C GLU A 57 -12.842 -0.795 2.263 1.00 22.55 C ATOM 852 O GLU A 57 -13.131 -1.953 1.947 1.00 70.10 O ATOM 853 CB GLU A 57 -14.682 0.919 1.793 1.00 20.12 C ATOM 854 CG GLU A 57 -13.902 2.098 1.164 1.00 32.44 C ATOM 855 CD GLU A 57 -14.461 2.601 -0.179 1.00 21.11 C ATOM 856 OE1 GLU A 57 -15.579 3.148 -0.196 1.00 5.34 O ATOM 857 OE2 GLU A 57 -13.768 2.487 -1.216 1.00 3.42 O ATOM 0 H GLU A 57 -12.788 1.828 3.507 1.00 61.33 H new ATOM 0 HA GLU A 57 -14.597 -0.520 3.433 1.00 62.23 H new ATOM 0 HB2 GLU A 57 -14.963 0.225 1.001 1.00 20.12 H new ATOM 0 HB3 GLU A 57 -15.607 1.303 2.224 1.00 20.12 H new ATOM 0 HG2 GLU A 57 -13.894 2.928 1.871 1.00 32.44 H new ATOM 0 HG3 GLU A 57 -12.866 1.793 1.018 1.00 32.44 H new ATOM 864 N VAL A 58 -11.621 -0.286 2.104 1.00 11.32 N ATOM 865 CA VAL A 58 -10.558 -0.973 1.344 1.00 63.21 C ATOM 866 C VAL A 58 -9.832 -2.031 2.209 1.00 73.44 C ATOM 867 O VAL A 58 -9.669 -3.189 1.786 1.00 32.30 O ATOM 868 CB VAL A 58 -9.534 0.075 0.794 1.00 73.00 C ATOM 869 CG1 VAL A 58 -8.357 -0.606 0.086 1.00 72.52 C ATOM 870 CG2 VAL A 58 -10.238 1.108 -0.121 1.00 15.44 C ATOM 0 H VAL A 58 -11.334 0.611 2.494 1.00 11.32 H new ATOM 0 HA VAL A 58 -11.025 -1.495 0.509 1.00 63.21 H new ATOM 0 HB VAL A 58 -9.120 0.617 1.644 1.00 73.00 H new ATOM 0 HG11 VAL A 58 -7.666 0.152 -0.283 1.00 72.52 H new ATOM 0 HG12 VAL A 58 -7.838 -1.259 0.788 1.00 72.52 H new ATOM 0 HG13 VAL A 58 -8.729 -1.197 -0.751 1.00 72.52 H new ATOM 0 HG21 VAL A 58 -9.505 1.825 -0.491 1.00 15.44 H new ATOM 0 HG22 VAL A 58 -10.699 0.593 -0.964 1.00 15.44 H new ATOM 0 HG23 VAL A 58 -11.006 1.633 0.447 1.00 15.44 H new ATOM 880 N LEU A 59 -9.402 -1.615 3.419 1.00 54.11 N ATOM 881 CA LEU A 59 -8.646 -2.486 4.344 1.00 11.35 C ATOM 882 C LEU A 59 -9.450 -3.747 4.790 1.00 61.05 C ATOM 883 O LEU A 59 -8.890 -4.833 4.741 1.00 32.20 O ATOM 884 CB LEU A 59 -8.102 -1.703 5.580 1.00 25.14 C ATOM 885 CG LEU A 59 -6.945 -0.688 5.310 1.00 43.25 C ATOM 886 CD1 LEU A 59 -6.414 -0.092 6.633 1.00 13.24 C ATOM 887 CD2 LEU A 59 -5.806 -1.323 4.484 1.00 33.35 C ATOM 0 H LEU A 59 -9.567 -0.675 3.780 1.00 54.11 H new ATOM 0 HA LEU A 59 -7.789 -2.843 3.773 1.00 11.35 H new ATOM 0 HB2 LEU A 59 -8.932 -1.161 6.033 1.00 25.14 H new ATOM 0 HB3 LEU A 59 -7.755 -2.427 6.317 1.00 25.14 H new ATOM 0 HG LEU A 59 -7.357 0.127 4.714 1.00 43.25 H new ATOM 0 HD11 LEU A 59 -5.609 0.611 6.418 1.00 13.24 H new ATOM 0 HD12 LEU A 59 -7.222 0.427 7.148 1.00 13.24 H new ATOM 0 HD13 LEU A 59 -6.035 -0.894 7.267 1.00 13.24 H new ATOM 0 HD21 LEU A 59 -5.022 -0.585 4.318 1.00 33.35 H new ATOM 0 HD22 LEU A 59 -5.394 -2.174 5.026 1.00 33.35 H new ATOM 0 HD23 LEU A 59 -6.197 -1.659 3.524 1.00 33.35 H new ATOM 899 N PRO A 60 -10.764 -3.662 5.238 1.00 33.32 N ATOM 900 CA PRO A 60 -11.552 -4.883 5.602 1.00 63.33 C ATOM 901 C PRO A 60 -11.854 -5.797 4.385 1.00 53.14 C ATOM 902 O PRO A 60 -12.233 -6.963 4.563 1.00 22.11 O ATOM 903 CB PRO A 60 -12.855 -4.306 6.222 1.00 42.14 C ATOM 904 CG PRO A 60 -12.987 -2.949 5.612 1.00 74.41 C ATOM 905 CD PRO A 60 -11.569 -2.430 5.462 1.00 31.13 C ATOM 0 HA PRO A 60 -11.002 -5.531 6.284 1.00 63.33 H new ATOM 0 HB2 PRO A 60 -13.717 -4.932 5.990 1.00 42.14 H new ATOM 0 HB3 PRO A 60 -12.787 -4.248 7.308 1.00 42.14 H new ATOM 0 HG2 PRO A 60 -13.490 -3.000 4.646 1.00 74.41 H new ATOM 0 HG3 PRO A 60 -13.581 -2.290 6.246 1.00 74.41 H new ATOM 0 HD2 PRO A 60 -11.483 -1.737 4.625 1.00 31.13 H new ATOM 0 HD3 PRO A 60 -11.242 -1.895 6.353 1.00 31.13 H new ATOM 913 N LYS A 61 -11.701 -5.250 3.163 1.00 33.22 N ATOM 914 CA LYS A 61 -11.917 -5.994 1.908 1.00 13.21 C ATOM 915 C LYS A 61 -10.723 -6.928 1.597 1.00 11.23 C ATOM 916 O LYS A 61 -10.907 -8.135 1.385 1.00 21.14 O ATOM 917 CB LYS A 61 -12.158 -4.987 0.745 1.00 12.42 C ATOM 918 CG LYS A 61 -12.429 -5.624 -0.635 1.00 25.23 C ATOM 919 CD LYS A 61 -12.666 -4.561 -1.740 1.00 54.25 C ATOM 920 CE LYS A 61 -12.762 -5.182 -3.144 1.00 22.53 C ATOM 921 NZ LYS A 61 -13.866 -6.176 -3.243 1.00 43.41 N ATOM 0 H LYS A 61 -11.424 -4.279 3.019 1.00 33.22 H new ATOM 0 HA LYS A 61 -12.798 -6.626 2.020 1.00 13.21 H new ATOM 0 HB2 LYS A 61 -13.005 -4.352 1.006 1.00 12.42 H new ATOM 0 HB3 LYS A 61 -11.286 -4.338 0.662 1.00 12.42 H new ATOM 0 HG2 LYS A 61 -11.583 -6.253 -0.914 1.00 25.23 H new ATOM 0 HG3 LYS A 61 -13.301 -6.274 -0.567 1.00 25.23 H new ATOM 0 HD2 LYS A 61 -13.585 -4.016 -1.524 1.00 54.25 H new ATOM 0 HD3 LYS A 61 -11.853 -3.835 -1.722 1.00 54.25 H new ATOM 0 HE2 LYS A 61 -12.919 -4.393 -3.879 1.00 22.53 H new ATOM 0 HE3 LYS A 61 -11.817 -5.665 -3.392 1.00 22.53 H new ATOM 0 HZ1 LYS A 61 -13.938 -6.519 -4.222 1.00 43.41 H new ATOM 0 HZ2 LYS A 61 -13.670 -6.977 -2.609 1.00 43.41 H new ATOM 0 HZ3 LYS A 61 -14.763 -5.727 -2.967 1.00 43.41 H new ATOM 935 N TYR A 62 -9.500 -6.357 1.568 1.00 62.33 N ATOM 936 CA TYR A 62 -8.255 -7.107 1.231 1.00 2.24 C ATOM 937 C TYR A 62 -7.639 -7.764 2.467 1.00 34.43 C ATOM 938 O TYR A 62 -7.254 -8.939 2.442 1.00 15.51 O ATOM 939 CB TYR A 62 -7.218 -6.173 0.546 1.00 73.42 C ATOM 940 CG TYR A 62 -7.629 -5.810 -0.876 1.00 61.55 C ATOM 941 CD1 TYR A 62 -8.657 -4.902 -1.108 1.00 13.13 C ATOM 942 CD2 TYR A 62 -7.036 -6.423 -1.983 1.00 2.02 C ATOM 943 CE1 TYR A 62 -9.070 -4.610 -2.386 1.00 30.20 C ATOM 944 CE2 TYR A 62 -7.460 -6.135 -3.263 1.00 13.33 C ATOM 945 CZ TYR A 62 -8.476 -5.230 -3.455 1.00 42.13 C ATOM 946 OH TYR A 62 -8.906 -4.956 -4.726 1.00 4.02 O ATOM 0 H TYR A 62 -9.340 -5.371 1.775 1.00 62.33 H new ATOM 0 HA TYR A 62 -8.531 -7.898 0.534 1.00 2.24 H new ATOM 0 HB2 TYR A 62 -7.106 -5.262 1.135 1.00 73.42 H new ATOM 0 HB3 TYR A 62 -6.245 -6.663 0.528 1.00 73.42 H new ATOM 0 HD1 TYR A 62 -9.138 -4.419 -0.271 1.00 13.13 H new ATOM 0 HD2 TYR A 62 -6.235 -7.132 -1.834 1.00 2.02 H new ATOM 0 HE1 TYR A 62 -9.861 -3.893 -2.548 1.00 30.20 H new ATOM 0 HE2 TYR A 62 -6.996 -6.618 -4.110 1.00 13.33 H new ATOM 0 HH TYR A 62 -8.592 -4.067 -4.993 1.00 4.02 H new ATOM 956 N PHE A 63 -7.544 -6.987 3.535 1.00 11.54 N ATOM 957 CA PHE A 63 -6.973 -7.430 4.816 1.00 31.43 C ATOM 958 C PHE A 63 -8.126 -7.775 5.781 1.00 41.13 C ATOM 959 O PHE A 63 -9.307 -7.660 5.416 1.00 53.13 O ATOM 960 CB PHE A 63 -6.043 -6.309 5.368 1.00 33.13 C ATOM 961 CG PHE A 63 -5.004 -5.841 4.336 1.00 64.42 C ATOM 962 CD1 PHE A 63 -3.827 -6.560 4.117 1.00 61.42 C ATOM 963 CD2 PHE A 63 -5.229 -4.704 3.552 1.00 11.12 C ATOM 964 CE1 PHE A 63 -2.914 -6.149 3.157 1.00 24.40 C ATOM 965 CE2 PHE A 63 -4.313 -4.303 2.587 1.00 54.22 C ATOM 966 CZ PHE A 63 -3.158 -5.027 2.393 1.00 5.02 C ATOM 0 H PHE A 63 -7.863 -6.018 3.546 1.00 11.54 H new ATOM 0 HA PHE A 63 -6.367 -8.327 4.693 1.00 31.43 H new ATOM 0 HB2 PHE A 63 -6.650 -5.458 5.678 1.00 33.13 H new ATOM 0 HB3 PHE A 63 -5.528 -6.674 6.257 1.00 33.13 H new ATOM 0 HD1 PHE A 63 -3.625 -7.446 4.701 1.00 61.42 H new ATOM 0 HD2 PHE A 63 -6.131 -4.128 3.699 1.00 11.12 H new ATOM 0 HE1 PHE A 63 -2.005 -6.712 3.007 1.00 24.40 H new ATOM 0 HE2 PHE A 63 -4.507 -3.424 1.990 1.00 54.22 H new ATOM 0 HZ PHE A 63 -2.444 -4.717 1.644 1.00 5.02 H new ATOM 976 N LYS A 64 -7.801 -8.198 7.006 1.00 1.21 N ATOM 977 CA LYS A 64 -8.811 -8.662 7.985 1.00 64.45 C ATOM 978 C LYS A 64 -8.883 -7.673 9.163 1.00 41.30 C ATOM 979 O LYS A 64 -9.081 -8.057 10.320 1.00 21.10 O ATOM 980 CB LYS A 64 -8.465 -10.120 8.418 1.00 34.13 C ATOM 981 CG LYS A 64 -6.998 -10.331 8.856 1.00 45.34 C ATOM 982 CD LYS A 64 -6.656 -11.808 9.158 1.00 51.02 C ATOM 983 CE LYS A 64 -6.896 -12.745 7.952 1.00 43.14 C ATOM 984 NZ LYS A 64 -6.181 -12.301 6.717 1.00 21.13 N ATOM 0 H LYS A 64 -6.842 -8.232 7.353 1.00 1.21 H new ATOM 0 HA LYS A 64 -9.806 -8.686 7.542 1.00 64.45 H new ATOM 0 HB2 LYS A 64 -9.121 -10.406 9.241 1.00 34.13 H new ATOM 0 HB3 LYS A 64 -8.683 -10.793 7.588 1.00 34.13 H new ATOM 0 HG2 LYS A 64 -6.336 -9.965 8.071 1.00 45.34 H new ATOM 0 HG3 LYS A 64 -6.802 -9.731 9.744 1.00 45.34 H new ATOM 0 HD2 LYS A 64 -5.612 -11.878 9.463 1.00 51.02 H new ATOM 0 HD3 LYS A 64 -7.257 -12.149 10.001 1.00 51.02 H new ATOM 0 HE2 LYS A 64 -6.571 -13.753 8.211 1.00 43.14 H new ATOM 0 HE3 LYS A 64 -7.965 -12.798 7.747 1.00 43.14 H new ATOM 0 HZ1 LYS A 64 -6.324 -13.002 5.962 1.00 21.13 H new ATOM 0 HZ2 LYS A 64 -6.556 -11.381 6.410 1.00 21.13 H new ATOM 0 HZ3 LYS A 64 -5.165 -12.211 6.918 1.00 21.13 H new ATOM 998 N HIS A 65 -8.802 -6.372 8.819 1.00 31.10 N ATOM 999 CA HIS A 65 -8.835 -5.261 9.789 1.00 54.34 C ATOM 1000 C HIS A 65 -9.278 -3.981 9.068 1.00 41.20 C ATOM 1001 O HIS A 65 -9.167 -3.892 7.848 1.00 75.34 O ATOM 1002 CB HIS A 65 -7.448 -5.039 10.457 1.00 55.13 C ATOM 1003 CG HIS A 65 -6.347 -4.632 9.505 1.00 42.24 C ATOM 1004 ND1 HIS A 65 -6.078 -3.321 9.161 1.00 21.44 N ATOM 1005 CD2 HIS A 65 -5.453 -5.379 8.821 1.00 63.33 C ATOM 1006 CE1 HIS A 65 -5.072 -3.290 8.308 1.00 35.42 C ATOM 1007 NE2 HIS A 65 -4.673 -4.524 8.083 1.00 31.42 N ATOM 0 H HIS A 65 -8.711 -6.061 7.852 1.00 31.10 H new ATOM 0 HA HIS A 65 -9.543 -5.514 10.579 1.00 54.34 H new ATOM 0 HB2 HIS A 65 -7.548 -4.272 11.225 1.00 55.13 H new ATOM 0 HB3 HIS A 65 -7.152 -5.958 10.962 1.00 55.13 H new ATOM 0 HD1 HIS A 65 -6.579 -2.505 9.512 1.00 21.44 H new ATOM 0 HD2 HIS A 65 -5.367 -6.455 8.850 1.00 63.33 H new ATOM 0 HE1 HIS A 65 -4.647 -2.400 7.868 1.00 35.42 H new ATOM 1016 N ASN A 66 -9.727 -2.986 9.844 1.00 24.21 N ATOM 1017 CA ASN A 66 -10.138 -1.670 9.315 1.00 5.00 C ATOM 1018 C ASN A 66 -9.164 -0.579 9.794 1.00 20.02 C ATOM 1019 O ASN A 66 -9.203 0.544 9.312 1.00 11.34 O ATOM 1020 CB ASN A 66 -11.609 -1.337 9.716 1.00 42.11 C ATOM 1021 CG ASN A 66 -11.897 -1.348 11.230 1.00 30.41 C ATOM 1022 OD1 ASN A 66 -11.041 -1.045 12.063 1.00 43.25 O ATOM 1023 ND2 ASN A 66 -13.116 -1.702 11.598 1.00 23.52 N ATOM 0 H ASN A 66 -9.817 -3.066 10.857 1.00 24.21 H new ATOM 0 HA ASN A 66 -10.101 -1.707 8.226 1.00 5.00 H new ATOM 0 HB2 ASN A 66 -11.862 -0.353 9.322 1.00 42.11 H new ATOM 0 HB3 ASN A 66 -12.272 -2.054 9.231 1.00 42.11 H new ATOM 0 HD21 ASN A 66 -13.363 -1.728 12.587 1.00 23.52 H new ATOM 0 HD22 ASN A 66 -13.810 -1.949 10.893 1.00 23.52 H new ATOM 1030 N ASN A 67 -8.290 -0.937 10.754 1.00 5.52 N ATOM 1031 CA ASN A 67 -7.332 0.000 11.372 1.00 73.04 C ATOM 1032 C ASN A 67 -6.178 0.344 10.401 1.00 33.40 C ATOM 1033 O ASN A 67 -5.446 -0.549 9.953 1.00 11.45 O ATOM 1034 CB ASN A 67 -6.801 -0.611 12.697 1.00 4.23 C ATOM 1035 CG ASN A 67 -5.783 0.276 13.416 1.00 22.03 C ATOM 1036 OD1 ASN A 67 -4.578 0.100 13.276 1.00 50.30 O ATOM 1037 ND2 ASN A 67 -6.258 1.246 14.178 1.00 14.10 N ATOM 0 H ASN A 67 -8.228 -1.886 11.124 1.00 5.52 H new ATOM 0 HA ASN A 67 -7.842 0.937 11.596 1.00 73.04 H new ATOM 0 HB2 ASN A 67 -7.643 -0.798 13.364 1.00 4.23 H new ATOM 0 HB3 ASN A 67 -6.343 -1.577 12.484 1.00 4.23 H new ATOM 0 HD21 ASN A 67 -5.617 1.871 14.667 1.00 14.10 H new ATOM 0 HD22 ASN A 67 -7.266 1.370 14.277 1.00 14.10 H new ATOM 1044 N MET A 68 -6.039 1.655 10.088 1.00 43.53 N ATOM 1045 CA MET A 68 -5.009 2.173 9.160 1.00 23.10 C ATOM 1046 C MET A 68 -3.603 2.067 9.771 1.00 11.31 C ATOM 1047 O MET A 68 -2.635 1.779 9.063 1.00 74.22 O ATOM 1048 CB MET A 68 -5.312 3.648 8.765 1.00 12.24 C ATOM 1049 CG MET A 68 -4.390 4.223 7.688 1.00 41.10 C ATOM 1050 SD MET A 68 -4.468 3.249 6.173 1.00 44.52 S ATOM 1051 CE MET A 68 -3.500 4.254 5.062 1.00 20.41 C ATOM 0 H MET A 68 -6.640 2.383 10.474 1.00 43.53 H new ATOM 0 HA MET A 68 -5.037 1.557 8.261 1.00 23.10 H new ATOM 0 HB2 MET A 68 -6.342 3.712 8.414 1.00 12.24 H new ATOM 0 HB3 MET A 68 -5.240 4.271 9.657 1.00 12.24 H new ATOM 0 HG2 MET A 68 -4.674 5.254 7.475 1.00 41.10 H new ATOM 0 HG3 MET A 68 -3.365 4.244 8.057 1.00 41.10 H new ATOM 0 HE1 MET A 68 -3.369 3.728 4.116 1.00 20.41 H new ATOM 0 HE2 MET A 68 -4.014 5.199 4.884 1.00 20.41 H new ATOM 0 HE3 MET A 68 -2.524 4.450 5.506 1.00 20.41 H new ATOM 1061 N ALA A 69 -3.519 2.295 11.096 1.00 73.50 N ATOM 1062 CA ALA A 69 -2.247 2.254 11.847 1.00 55.34 C ATOM 1063 C ALA A 69 -1.550 0.881 11.728 1.00 34.30 C ATOM 1064 O ALA A 69 -0.328 0.815 11.756 1.00 41.34 O ATOM 1065 CB ALA A 69 -2.487 2.621 13.321 1.00 33.03 C ATOM 0 H ALA A 69 -4.329 2.513 11.676 1.00 73.50 H new ATOM 0 HA ALA A 69 -1.577 2.992 11.405 1.00 55.34 H new ATOM 0 HB1 ALA A 69 -1.542 2.587 13.863 1.00 33.03 H new ATOM 0 HB2 ALA A 69 -2.905 3.626 13.382 1.00 33.03 H new ATOM 0 HB3 ALA A 69 -3.185 1.911 13.764 1.00 33.03 H new ATOM 1071 N SER A 70 -2.359 -0.194 11.585 1.00 20.43 N ATOM 1072 CA SER A 70 -1.882 -1.571 11.348 1.00 50.41 C ATOM 1073 C SER A 70 -1.188 -1.682 9.979 1.00 1.24 C ATOM 1074 O SER A 70 -0.072 -2.208 9.876 1.00 20.20 O ATOM 1075 CB SER A 70 -3.086 -2.542 11.412 1.00 71.45 C ATOM 1076 OG SER A 70 -2.712 -3.883 11.140 1.00 42.52 O ATOM 0 H SER A 70 -3.376 -0.125 11.632 1.00 20.43 H new ATOM 0 HA SER A 70 -1.155 -1.832 12.117 1.00 50.41 H new ATOM 0 HB2 SER A 70 -3.541 -2.488 12.401 1.00 71.45 H new ATOM 0 HB3 SER A 70 -3.843 -2.226 10.695 1.00 71.45 H new ATOM 0 HG SER A 70 -3.502 -4.460 11.193 1.00 42.52 H new ATOM 1082 N PHE A 71 -1.865 -1.125 8.953 1.00 73.50 N ATOM 1083 CA PHE A 71 -1.438 -1.179 7.544 1.00 23.14 C ATOM 1084 C PHE A 71 -0.102 -0.435 7.357 1.00 75.42 C ATOM 1085 O PHE A 71 0.864 -0.989 6.815 1.00 62.23 O ATOM 1086 CB PHE A 71 -2.555 -0.543 6.655 1.00 0.23 C ATOM 1087 CG PHE A 71 -2.193 -0.375 5.174 1.00 62.03 C ATOM 1088 CD1 PHE A 71 -2.130 -1.479 4.332 1.00 32.13 C ATOM 1089 CD2 PHE A 71 -1.906 0.884 4.630 1.00 35.23 C ATOM 1090 CE1 PHE A 71 -1.788 -1.340 3.000 1.00 11.12 C ATOM 1091 CE2 PHE A 71 -1.566 1.023 3.292 1.00 51.11 C ATOM 1092 CZ PHE A 71 -1.505 -0.092 2.481 1.00 14.51 C ATOM 0 H PHE A 71 -2.739 -0.617 9.086 1.00 73.50 H new ATOM 0 HA PHE A 71 -1.284 -2.216 7.246 1.00 23.14 H new ATOM 0 HB2 PHE A 71 -3.450 -1.161 6.726 1.00 0.23 H new ATOM 0 HB3 PHE A 71 -2.810 0.435 7.064 1.00 0.23 H new ATOM 0 HD1 PHE A 71 -2.352 -2.460 4.724 1.00 32.13 H new ATOM 0 HD2 PHE A 71 -1.950 1.759 5.261 1.00 35.23 H new ATOM 0 HE1 PHE A 71 -1.742 -2.211 2.363 1.00 11.12 H new ATOM 0 HE2 PHE A 71 -1.350 2.000 2.887 1.00 51.11 H new ATOM 0 HZ PHE A 71 -1.236 0.012 1.440 1.00 14.51 H new ATOM 1102 N VAL A 72 -0.077 0.826 7.825 1.00 1.22 N ATOM 1103 CA VAL A 72 1.105 1.694 7.764 1.00 62.23 C ATOM 1104 C VAL A 72 2.272 1.106 8.600 1.00 14.22 C ATOM 1105 O VAL A 72 3.412 1.119 8.138 1.00 10.12 O ATOM 1106 CB VAL A 72 0.754 3.158 8.235 1.00 10.42 C ATOM 1107 CG1 VAL A 72 1.968 4.109 8.109 1.00 53.43 C ATOM 1108 CG2 VAL A 72 -0.470 3.715 7.457 1.00 10.35 C ATOM 0 H VAL A 72 -0.885 1.272 8.259 1.00 1.22 H new ATOM 0 HA VAL A 72 1.431 1.744 6.725 1.00 62.23 H new ATOM 0 HB VAL A 72 0.491 3.104 9.291 1.00 10.42 H new ATOM 0 HG11 VAL A 72 1.685 5.107 8.443 1.00 53.43 H new ATOM 0 HG12 VAL A 72 2.786 3.738 8.726 1.00 53.43 H new ATOM 0 HG13 VAL A 72 2.290 4.153 7.068 1.00 53.43 H new ATOM 0 HG21 VAL A 72 -0.691 4.725 7.801 1.00 10.35 H new ATOM 0 HG22 VAL A 72 -0.245 3.736 6.391 1.00 10.35 H new ATOM 0 HG23 VAL A 72 -1.335 3.075 7.633 1.00 10.35 H new ATOM 1118 N ARG A 73 1.963 0.549 9.807 1.00 61.21 N ATOM 1119 CA ARG A 73 2.982 -0.070 10.710 1.00 60.50 C ATOM 1120 C ARG A 73 3.740 -1.206 10.005 1.00 0.01 C ATOM 1121 O ARG A 73 4.970 -1.311 10.131 1.00 41.02 O ATOM 1122 CB ARG A 73 2.337 -0.618 12.017 1.00 24.14 C ATOM 1123 CG ARG A 73 3.328 -1.271 13.014 1.00 73.25 C ATOM 1124 CD ARG A 73 2.656 -1.789 14.304 1.00 3.24 C ATOM 1125 NE ARG A 73 3.649 -2.395 15.227 1.00 4.20 N ATOM 1126 CZ ARG A 73 3.599 -2.366 16.577 1.00 73.33 C ATOM 1127 NH1 ARG A 73 2.603 -1.755 17.217 1.00 20.12 N ATOM 1128 NH2 ARG A 73 4.564 -2.956 17.278 1.00 33.21 N ATOM 0 H ARG A 73 1.014 0.516 10.178 1.00 61.21 H new ATOM 0 HA ARG A 73 3.685 0.721 10.971 1.00 60.50 H new ATOM 0 HB2 ARG A 73 1.824 0.201 12.522 1.00 24.14 H new ATOM 0 HB3 ARG A 73 1.578 -1.353 11.749 1.00 24.14 H new ATOM 0 HG2 ARG A 73 3.834 -2.100 12.520 1.00 73.25 H new ATOM 0 HG3 ARG A 73 4.094 -0.543 13.281 1.00 73.25 H new ATOM 0 HD2 ARG A 73 2.146 -0.967 14.805 1.00 3.24 H new ATOM 0 HD3 ARG A 73 1.896 -2.528 14.049 1.00 3.24 H new ATOM 0 HE ARG A 73 4.441 -2.877 14.803 1.00 4.20 H new ATOM 0 HH11 ARG A 73 1.861 -1.298 16.687 1.00 20.12 H new ATOM 0 HH12 ARG A 73 2.583 -1.744 18.237 1.00 20.12 H new ATOM 0 HH21 ARG A 73 5.331 -3.424 16.796 1.00 33.21 H new ATOM 0 HH22 ARG A 73 4.536 -2.940 18.298 1.00 33.21 H new ATOM 1142 N GLN A 74 2.984 -2.017 9.233 1.00 51.12 N ATOM 1143 CA GLN A 74 3.535 -3.109 8.418 1.00 5.41 C ATOM 1144 C GLN A 74 4.581 -2.557 7.433 1.00 3.13 C ATOM 1145 O GLN A 74 5.714 -3.031 7.402 1.00 73.44 O ATOM 1146 CB GLN A 74 2.404 -3.826 7.636 1.00 3.21 C ATOM 1147 CG GLN A 74 1.446 -4.698 8.471 1.00 41.44 C ATOM 1148 CD GLN A 74 2.127 -5.945 9.043 1.00 2.01 C ATOM 1149 OE1 GLN A 74 2.661 -5.931 10.146 1.00 24.51 O ATOM 1150 NE2 GLN A 74 2.120 -7.032 8.286 1.00 11.22 N ATOM 0 H GLN A 74 1.970 -1.928 9.161 1.00 51.12 H new ATOM 0 HA GLN A 74 4.013 -3.829 9.082 1.00 5.41 H new ATOM 0 HB2 GLN A 74 1.815 -3.070 7.117 1.00 3.21 H new ATOM 0 HB3 GLN A 74 2.861 -4.455 6.872 1.00 3.21 H new ATOM 0 HG2 GLN A 74 1.040 -4.103 9.289 1.00 41.44 H new ATOM 0 HG3 GLN A 74 0.604 -5.002 7.850 1.00 41.44 H new ATOM 0 HE21 GLN A 74 1.668 -7.014 7.372 1.00 11.22 H new ATOM 0 HE22 GLN A 74 2.567 -7.887 8.617 1.00 11.22 H new ATOM 1159 N LEU A 75 4.187 -1.505 6.688 1.00 22.03 N ATOM 1160 CA LEU A 75 5.025 -0.866 5.662 1.00 51.14 C ATOM 1161 C LEU A 75 6.291 -0.229 6.274 1.00 73.25 C ATOM 1162 O LEU A 75 7.363 -0.318 5.680 1.00 2.33 O ATOM 1163 CB LEU A 75 4.178 0.182 4.891 1.00 34.40 C ATOM 1164 CG LEU A 75 2.998 -0.414 4.055 1.00 43.23 C ATOM 1165 CD1 LEU A 75 2.018 0.679 3.608 1.00 24.24 C ATOM 1166 CD2 LEU A 75 3.518 -1.216 2.842 1.00 4.11 C ATOM 0 H LEU A 75 3.268 -1.073 6.785 1.00 22.03 H new ATOM 0 HA LEU A 75 5.370 -1.629 4.964 1.00 51.14 H new ATOM 0 HB2 LEU A 75 3.773 0.898 5.606 1.00 34.40 H new ATOM 0 HB3 LEU A 75 4.835 0.737 4.221 1.00 34.40 H new ATOM 0 HG LEU A 75 2.456 -1.101 4.704 1.00 43.23 H new ATOM 0 HD11 LEU A 75 1.211 0.230 3.030 1.00 24.24 H new ATOM 0 HD12 LEU A 75 1.603 1.176 4.485 1.00 24.24 H new ATOM 0 HD13 LEU A 75 2.543 1.409 2.992 1.00 24.24 H new ATOM 0 HD21 LEU A 75 2.673 -1.617 2.282 1.00 4.11 H new ATOM 0 HD22 LEU A 75 4.103 -0.561 2.197 1.00 4.11 H new ATOM 0 HD23 LEU A 75 4.145 -2.037 3.190 1.00 4.11 H new ATOM 1178 N ASN A 76 6.157 0.380 7.482 1.00 30.31 N ATOM 1179 CA ASN A 76 7.316 0.893 8.258 1.00 41.34 C ATOM 1180 C ASN A 76 8.332 -0.233 8.536 1.00 34.01 C ATOM 1181 O ASN A 76 9.539 -0.056 8.358 1.00 1.52 O ATOM 1182 CB ASN A 76 6.885 1.540 9.615 1.00 71.22 C ATOM 1183 CG ASN A 76 6.214 2.905 9.473 1.00 20.32 C ATOM 1184 OD1 ASN A 76 6.889 3.928 9.353 1.00 33.44 O ATOM 1185 ND2 ASN A 76 4.897 2.944 9.561 1.00 33.34 N ATOM 0 H ASN A 76 5.257 0.527 7.939 1.00 30.31 H new ATOM 0 HA ASN A 76 7.779 1.666 7.644 1.00 41.34 H new ATOM 0 HB2 ASN A 76 6.201 0.863 10.126 1.00 71.22 H new ATOM 0 HB3 ASN A 76 7.764 1.644 10.250 1.00 71.22 H new ATOM 0 HD21 ASN A 76 4.410 3.840 9.530 1.00 33.34 H new ATOM 0 HD22 ASN A 76 4.367 2.078 9.660 1.00 33.34 H new ATOM 1192 N MET A 77 7.815 -1.401 8.943 1.00 3.22 N ATOM 1193 CA MET A 77 8.644 -2.577 9.265 1.00 25.45 C ATOM 1194 C MET A 77 9.207 -3.238 7.990 1.00 34.42 C ATOM 1195 O MET A 77 10.259 -3.864 8.043 1.00 54.11 O ATOM 1196 CB MET A 77 7.837 -3.578 10.131 1.00 34.53 C ATOM 1197 CG MET A 77 7.471 -3.023 11.520 1.00 54.11 C ATOM 1198 SD MET A 77 6.579 -4.203 12.554 1.00 42.11 S ATOM 1199 CE MET A 77 5.097 -4.503 11.594 1.00 31.25 C ATOM 0 H MET A 77 6.814 -1.560 9.059 1.00 3.22 H new ATOM 0 HA MET A 77 9.504 -2.246 9.847 1.00 25.45 H new ATOM 0 HB2 MET A 77 6.923 -3.850 9.603 1.00 34.53 H new ATOM 0 HB3 MET A 77 8.418 -4.492 10.254 1.00 34.53 H new ATOM 0 HG2 MET A 77 8.383 -2.719 12.033 1.00 54.11 H new ATOM 0 HG3 MET A 77 6.862 -2.128 11.396 1.00 54.11 H new ATOM 0 HE1 MET A 77 4.314 -4.892 12.245 1.00 31.25 H new ATOM 0 HE2 MET A 77 4.762 -3.570 11.141 1.00 31.25 H new ATOM 0 HE3 MET A 77 5.312 -5.230 10.810 1.00 31.25 H new ATOM 1209 N TYR A 78 8.515 -3.050 6.847 1.00 35.23 N ATOM 1210 CA TYR A 78 8.996 -3.502 5.519 1.00 41.25 C ATOM 1211 C TYR A 78 9.911 -2.435 4.865 1.00 62.44 C ATOM 1212 O TYR A 78 10.384 -2.619 3.735 1.00 2.23 O ATOM 1213 CB TYR A 78 7.796 -3.857 4.592 1.00 1.54 C ATOM 1214 CG TYR A 78 7.095 -5.188 4.930 1.00 53.44 C ATOM 1215 CD1 TYR A 78 7.782 -6.396 4.808 1.00 52.43 C ATOM 1216 CD2 TYR A 78 5.760 -5.241 5.345 1.00 53.15 C ATOM 1217 CE1 TYR A 78 7.170 -7.602 5.089 1.00 4.30 C ATOM 1218 CE2 TYR A 78 5.146 -6.448 5.631 1.00 52.12 C ATOM 1219 CZ TYR A 78 5.855 -7.620 5.500 1.00 41.24 C ATOM 1220 OH TYR A 78 5.244 -8.818 5.788 1.00 62.52 O ATOM 0 H TYR A 78 7.609 -2.582 6.816 1.00 35.23 H new ATOM 0 HA TYR A 78 9.591 -4.404 5.662 1.00 41.25 H new ATOM 0 HB2 TYR A 78 7.063 -3.052 4.644 1.00 1.54 H new ATOM 0 HB3 TYR A 78 8.150 -3.899 3.562 1.00 1.54 H new ATOM 0 HD1 TYR A 78 8.813 -6.388 4.487 1.00 52.43 H new ATOM 0 HD2 TYR A 78 5.199 -4.324 5.444 1.00 53.15 H new ATOM 0 HE1 TYR A 78 7.719 -8.526 4.987 1.00 4.30 H new ATOM 0 HE2 TYR A 78 4.116 -6.470 5.955 1.00 52.12 H new ATOM 0 HH TYR A 78 4.318 -8.655 6.064 1.00 62.52 H new ATOM 1230 N GLY A 79 10.146 -1.325 5.586 1.00 23.30 N ATOM 1231 CA GLY A 79 11.124 -0.315 5.188 1.00 11.32 C ATOM 1232 C GLY A 79 10.641 0.670 4.129 1.00 53.25 C ATOM 1233 O GLY A 79 11.462 1.390 3.559 1.00 34.43 O ATOM 0 H GLY A 79 9.662 -1.109 6.457 1.00 23.30 H new ATOM 0 HA2 GLY A 79 11.425 0.245 6.073 1.00 11.32 H new ATOM 0 HA3 GLY A 79 12.014 -0.821 4.813 1.00 11.32 H new ATOM 1237 N PHE A 80 9.312 0.711 3.860 1.00 24.12 N ATOM 1238 CA PHE A 80 8.709 1.668 2.897 1.00 4.05 C ATOM 1239 C PHE A 80 8.792 3.085 3.474 1.00 43.13 C ATOM 1240 O PHE A 80 8.648 3.268 4.682 1.00 40.05 O ATOM 1241 CB PHE A 80 7.214 1.317 2.595 1.00 54.12 C ATOM 1242 CG PHE A 80 6.994 0.086 1.703 1.00 63.50 C ATOM 1243 CD1 PHE A 80 7.405 -1.188 2.108 1.00 44.02 C ATOM 1244 CD2 PHE A 80 6.363 0.203 0.457 1.00 54.03 C ATOM 1245 CE1 PHE A 80 7.197 -2.300 1.298 1.00 73.12 C ATOM 1246 CE2 PHE A 80 6.158 -0.909 -0.345 1.00 62.10 C ATOM 1247 CZ PHE A 80 6.576 -2.156 0.075 1.00 33.34 C ATOM 0 H PHE A 80 8.634 0.089 4.299 1.00 24.12 H new ATOM 0 HA PHE A 80 9.266 1.605 1.962 1.00 4.05 H new ATOM 0 HB2 PHE A 80 6.698 1.156 3.541 1.00 54.12 H new ATOM 0 HB3 PHE A 80 6.745 2.178 2.119 1.00 54.12 H new ATOM 0 HD1 PHE A 80 7.891 -1.311 3.064 1.00 44.02 H new ATOM 0 HD2 PHE A 80 6.032 1.173 0.117 1.00 54.03 H new ATOM 0 HE1 PHE A 80 7.522 -3.276 1.627 1.00 73.12 H new ATOM 0 HE2 PHE A 80 5.669 -0.799 -1.302 1.00 62.10 H new ATOM 0 HZ PHE A 80 6.417 -3.019 -0.554 1.00 33.34 H new ATOM 1257 N ARG A 81 8.999 4.082 2.608 1.00 51.12 N ATOM 1258 CA ARG A 81 9.155 5.479 3.029 1.00 4.52 C ATOM 1259 C ARG A 81 7.843 6.231 2.793 1.00 72.32 C ATOM 1260 O ARG A 81 7.319 6.259 1.673 1.00 74.02 O ATOM 1261 CB ARG A 81 10.327 6.147 2.251 1.00 45.43 C ATOM 1262 CG ARG A 81 10.595 7.632 2.614 1.00 70.31 C ATOM 1263 CD ARG A 81 11.865 8.196 1.945 1.00 60.10 C ATOM 1264 NE ARG A 81 12.095 9.617 2.267 1.00 75.31 N ATOM 1265 CZ ARG A 81 13.244 10.291 2.042 1.00 41.01 C ATOM 1266 NH1 ARG A 81 14.303 9.686 1.487 1.00 32.44 N ATOM 1267 NH2 ARG A 81 13.322 11.577 2.376 1.00 24.30 N ATOM 0 H ARG A 81 9.063 3.945 1.599 1.00 51.12 H new ATOM 0 HA ARG A 81 9.393 5.515 4.092 1.00 4.52 H new ATOM 0 HB2 ARG A 81 11.237 5.575 2.433 1.00 45.43 H new ATOM 0 HB3 ARG A 81 10.118 6.082 1.183 1.00 45.43 H new ATOM 0 HG2 ARG A 81 9.736 8.234 2.316 1.00 70.31 H new ATOM 0 HG3 ARG A 81 10.689 7.725 3.696 1.00 70.31 H new ATOM 0 HD2 ARG A 81 12.728 7.611 2.263 1.00 60.10 H new ATOM 0 HD3 ARG A 81 11.783 8.081 0.864 1.00 60.10 H new ATOM 0 HE ARG A 81 11.325 10.132 2.694 1.00 75.31 H new ATOM 0 HH11 ARG A 81 14.249 8.701 1.227 1.00 32.44 H new ATOM 0 HH12 ARG A 81 15.163 10.210 1.324 1.00 32.44 H new ATOM 0 HH21 ARG A 81 12.519 12.044 2.797 1.00 24.30 H new ATOM 0 HH22 ARG A 81 14.185 12.095 2.211 1.00 24.30 H new ATOM 1281 N LYS A 82 7.324 6.802 3.884 1.00 74.11 N ATOM 1282 CA LYS A 82 6.172 7.707 3.892 1.00 11.25 C ATOM 1283 C LYS A 82 6.548 9.035 3.204 1.00 23.30 C ATOM 1284 O LYS A 82 7.397 9.778 3.707 1.00 4.25 O ATOM 1285 CB LYS A 82 5.771 7.949 5.380 1.00 43.22 C ATOM 1286 CG LYS A 82 4.718 9.052 5.628 1.00 31.11 C ATOM 1287 CD LYS A 82 3.341 8.725 5.025 1.00 53.44 C ATOM 1288 CE LYS A 82 2.321 9.843 5.277 1.00 3.52 C ATOM 1289 NZ LYS A 82 2.094 10.081 6.726 1.00 65.20 N ATOM 0 H LYS A 82 7.707 6.642 4.816 1.00 74.11 H new ATOM 0 HA LYS A 82 5.333 7.275 3.347 1.00 11.25 H new ATOM 0 HB2 LYS A 82 5.391 7.013 5.790 1.00 43.22 H new ATOM 0 HB3 LYS A 82 6.671 8.201 5.941 1.00 43.22 H new ATOM 0 HG2 LYS A 82 4.609 9.206 6.702 1.00 31.11 H new ATOM 0 HG3 LYS A 82 5.078 9.990 5.206 1.00 31.11 H new ATOM 0 HD2 LYS A 82 3.444 8.564 3.952 1.00 53.44 H new ATOM 0 HD3 LYS A 82 2.970 7.793 5.453 1.00 53.44 H new ATOM 0 HE2 LYS A 82 2.671 10.764 4.810 1.00 3.52 H new ATOM 0 HE3 LYS A 82 1.375 9.584 4.801 1.00 3.52 H new ATOM 0 HZ1 LYS A 82 1.293 10.732 6.849 1.00 65.20 H new ATOM 0 HZ2 LYS A 82 1.882 9.178 7.197 1.00 65.20 H new ATOM 0 HZ3 LYS A 82 2.948 10.499 7.147 1.00 65.20 H new ATOM 1303 N VAL A 83 5.932 9.311 2.045 1.00 25.31 N ATOM 1304 CA VAL A 83 6.148 10.543 1.263 1.00 73.55 C ATOM 1305 C VAL A 83 4.770 11.197 1.027 1.00 30.34 C ATOM 1306 O VAL A 83 3.975 10.706 0.226 1.00 0.55 O ATOM 1307 CB VAL A 83 6.871 10.232 -0.114 1.00 51.41 C ATOM 1308 CG1 VAL A 83 7.060 11.507 -0.973 1.00 60.50 C ATOM 1309 CG2 VAL A 83 8.220 9.496 0.122 1.00 14.23 C ATOM 0 H VAL A 83 5.259 8.676 1.616 1.00 25.31 H new ATOM 0 HA VAL A 83 6.800 11.222 1.812 1.00 73.55 H new ATOM 0 HB VAL A 83 6.220 9.567 -0.681 1.00 51.41 H new ATOM 0 HG11 VAL A 83 7.559 11.246 -1.906 1.00 60.50 H new ATOM 0 HG12 VAL A 83 6.087 11.946 -1.192 1.00 60.50 H new ATOM 0 HG13 VAL A 83 7.668 12.228 -0.426 1.00 60.50 H new ATOM 0 HG21 VAL A 83 8.697 9.294 -0.837 1.00 14.23 H new ATOM 0 HG22 VAL A 83 8.875 10.122 0.728 1.00 14.23 H new ATOM 0 HG23 VAL A 83 8.035 8.555 0.641 1.00 14.23 H new ATOM 1319 N VAL A 84 4.494 12.304 1.732 1.00 70.15 N ATOM 1320 CA VAL A 84 3.164 12.949 1.746 1.00 73.02 C ATOM 1321 C VAL A 84 3.249 14.260 0.938 1.00 24.43 C ATOM 1322 O VAL A 84 4.085 15.121 1.222 1.00 71.41 O ATOM 1323 CB VAL A 84 2.643 13.183 3.224 1.00 4.43 C ATOM 1324 CG1 VAL A 84 3.678 13.928 4.102 1.00 20.34 C ATOM 1325 CG2 VAL A 84 1.251 13.877 3.228 1.00 42.35 C ATOM 0 H VAL A 84 5.185 12.781 2.311 1.00 70.15 H new ATOM 0 HA VAL A 84 2.431 12.292 1.278 1.00 73.02 H new ATOM 0 HB VAL A 84 2.514 12.202 3.681 1.00 4.43 H new ATOM 0 HG11 VAL A 84 3.274 14.064 5.105 1.00 20.34 H new ATOM 0 HG12 VAL A 84 4.596 13.343 4.157 1.00 20.34 H new ATOM 0 HG13 VAL A 84 3.894 14.902 3.663 1.00 20.34 H new ATOM 0 HG21 VAL A 84 0.921 14.024 4.256 1.00 42.35 H new ATOM 0 HG22 VAL A 84 1.325 14.843 2.729 1.00 42.35 H new ATOM 0 HG23 VAL A 84 0.531 13.251 2.701 1.00 42.35 H new ATOM 1335 N HIS A 85 2.393 14.382 -0.093 1.00 54.22 N ATOM 1336 CA HIS A 85 2.485 15.466 -1.099 1.00 33.04 C ATOM 1337 C HIS A 85 1.558 16.646 -0.752 1.00 75.35 C ATOM 1338 O HIS A 85 1.824 17.774 -1.166 1.00 62.10 O ATOM 1339 CB HIS A 85 2.141 14.907 -2.506 1.00 12.20 C ATOM 1340 CG HIS A 85 3.098 13.843 -3.002 1.00 12.22 C ATOM 1341 ND1 HIS A 85 3.830 13.973 -4.160 1.00 31.53 N ATOM 1342 CD2 HIS A 85 3.416 12.617 -2.506 1.00 40.31 C ATOM 1343 CE1 HIS A 85 4.550 12.884 -4.349 1.00 45.41 C ATOM 1344 NE2 HIS A 85 4.318 12.048 -3.362 1.00 33.33 N ATOM 0 H HIS A 85 1.620 13.737 -0.255 1.00 54.22 H new ATOM 0 HA HIS A 85 3.508 15.842 -1.097 1.00 33.04 H new ATOM 0 HB2 HIS A 85 1.134 14.492 -2.483 1.00 12.20 H new ATOM 0 HB3 HIS A 85 2.130 15.731 -3.219 1.00 12.20 H new ATOM 0 HD2 HIS A 85 3.027 12.174 -1.601 1.00 40.31 H new ATOM 0 HE1 HIS A 85 5.220 12.708 -5.178 1.00 45.41 H new ATOM 0 HE2 HIS A 85 4.741 11.126 -3.252 1.00 33.33 H new ATOM 1504 N ARG A 96 -7.502 16.426 0.808 1.00 62.14 N ATOM 1505 CA ARG A 96 -7.468 14.966 0.985 1.00 75.13 C ATOM 1506 C ARG A 96 -6.094 14.479 1.487 1.00 50.23 C ATOM 1507 O ARG A 96 -5.108 15.231 1.525 1.00 21.32 O ATOM 1508 CB ARG A 96 -7.785 14.282 -0.376 1.00 23.30 C ATOM 1509 CG ARG A 96 -6.779 14.624 -1.507 1.00 73.20 C ATOM 1510 CD ARG A 96 -7.053 13.861 -2.809 1.00 31.33 C ATOM 1511 NE ARG A 96 -8.414 14.087 -3.323 1.00 14.13 N ATOM 1512 CZ ARG A 96 -8.951 13.452 -4.378 1.00 13.22 C ATOM 1513 NH1 ARG A 96 -8.252 12.551 -5.062 1.00 64.33 N ATOM 1514 NH2 ARG A 96 -10.200 13.712 -4.729 1.00 71.13 N ATOM 0 HA ARG A 96 -8.213 14.700 1.735 1.00 75.13 H new ATOM 0 HB2 ARG A 96 -7.800 13.202 -0.232 1.00 23.30 H new ATOM 0 HB3 ARG A 96 -8.786 14.575 -0.693 1.00 23.30 H new ATOM 0 HG2 ARG A 96 -6.816 15.695 -1.706 1.00 73.20 H new ATOM 0 HG3 ARG A 96 -5.769 14.398 -1.167 1.00 73.20 H new ATOM 0 HD2 ARG A 96 -6.328 14.166 -3.564 1.00 31.33 H new ATOM 0 HD3 ARG A 96 -6.906 12.795 -2.639 1.00 31.33 H new ATOM 0 HE ARG A 96 -8.992 14.777 -2.843 1.00 14.13 H new ATOM 0 HH11 ARG A 96 -7.294 12.333 -4.788 1.00 64.33 H new ATOM 0 HH12 ARG A 96 -8.674 12.077 -5.861 1.00 64.33 H new ATOM 0 HH21 ARG A 96 -10.748 14.390 -4.200 1.00 71.13 H new ATOM 0 HH22 ARG A 96 -10.615 13.234 -5.529 1.00 71.13 H new ATOM 1528 N ASP A 97 -6.040 13.202 1.845 1.00 40.52 N ATOM 1529 CA ASP A 97 -4.779 12.534 2.171 1.00 21.11 C ATOM 1530 C ASP A 97 -4.167 12.006 0.872 1.00 63.22 C ATOM 1531 O ASP A 97 -4.844 11.308 0.128 1.00 22.35 O ATOM 1532 CB ASP A 97 -5.017 11.367 3.159 1.00 54.41 C ATOM 1533 CG ASP A 97 -5.755 11.790 4.445 1.00 64.53 C ATOM 1534 OD1 ASP A 97 -5.328 12.762 5.094 1.00 12.12 O ATOM 1535 OD2 ASP A 97 -6.753 11.131 4.822 1.00 22.41 O ATOM 0 H ASP A 97 -6.861 12.601 1.918 1.00 40.52 H new ATOM 0 HA ASP A 97 -4.101 13.242 2.648 1.00 21.11 H new ATOM 0 HB2 ASP A 97 -5.593 10.589 2.658 1.00 54.41 H new ATOM 0 HB3 ASP A 97 -4.056 10.928 3.429 1.00 54.41 H new ATOM 1540 N ASP A 98 -2.919 12.391 0.574 1.00 64.24 N ATOM 1541 CA ASP A 98 -2.125 11.752 -0.499 1.00 74.01 C ATOM 1542 C ASP A 98 -0.826 11.237 0.121 1.00 44.21 C ATOM 1543 O ASP A 98 0.061 12.015 0.489 1.00 62.44 O ATOM 1544 CB ASP A 98 -1.821 12.691 -1.693 1.00 50.10 C ATOM 1545 CG ASP A 98 -0.981 11.972 -2.782 1.00 4.32 C ATOM 1546 OD1 ASP A 98 -1.544 11.172 -3.556 1.00 41.24 O ATOM 1547 OD2 ASP A 98 0.247 12.167 -2.844 1.00 22.42 O ATOM 0 H ASP A 98 -2.431 13.144 1.059 1.00 64.24 H new ATOM 0 HA ASP A 98 -2.717 10.938 -0.917 1.00 74.01 H new ATOM 0 HB2 ASP A 98 -2.756 13.044 -2.127 1.00 50.10 H new ATOM 0 HB3 ASP A 98 -1.283 13.570 -1.338 1.00 50.10 H new ATOM 1552 N THR A 99 -0.757 9.912 0.247 1.00 24.41 N ATOM 1553 CA THR A 99 0.310 9.203 0.933 1.00 42.11 C ATOM 1554 C THR A 99 0.978 8.213 -0.037 1.00 34.33 C ATOM 1555 O THR A 99 0.392 7.194 -0.404 1.00 3.04 O ATOM 1556 CB THR A 99 -0.285 8.461 2.170 1.00 3.11 C ATOM 1557 OG1 THR A 99 -0.765 9.434 3.111 1.00 24.31 O ATOM 1558 CG2 THR A 99 0.735 7.551 2.852 1.00 32.31 C ATOM 0 H THR A 99 -1.466 9.288 -0.139 1.00 24.41 H new ATOM 0 HA THR A 99 1.069 9.906 1.278 1.00 42.11 H new ATOM 0 HB THR A 99 -1.099 7.827 1.818 1.00 3.11 H new ATOM 0 HG1 THR A 99 -1.737 9.524 3.021 1.00 24.31 H new ATOM 0 HG21 THR A 99 0.270 7.059 3.706 1.00 32.31 H new ATOM 0 HG22 THR A 99 1.082 6.798 2.144 1.00 32.31 H new ATOM 0 HG23 THR A 99 1.582 8.146 3.193 1.00 32.31 H new ATOM 1566 N GLU A 100 2.208 8.535 -0.437 1.00 41.12 N ATOM 1567 CA GLU A 100 2.989 7.718 -1.367 1.00 21.34 C ATOM 1568 C GLU A 100 4.016 6.907 -0.570 1.00 61.53 C ATOM 1569 O GLU A 100 4.889 7.479 0.086 1.00 23.54 O ATOM 1570 CB GLU A 100 3.688 8.597 -2.442 1.00 71.05 C ATOM 1571 CG GLU A 100 4.647 7.810 -3.373 1.00 53.32 C ATOM 1572 CD GLU A 100 5.260 8.657 -4.495 1.00 70.15 C ATOM 1573 OE1 GLU A 100 5.907 9.678 -4.189 1.00 12.12 O ATOM 1574 OE2 GLU A 100 5.091 8.315 -5.688 1.00 31.12 O ATOM 0 H GLU A 100 2.694 9.375 -0.123 1.00 41.12 H new ATOM 0 HA GLU A 100 2.320 7.040 -1.897 1.00 21.34 H new ATOM 0 HB2 GLU A 100 2.926 9.084 -3.050 1.00 71.05 H new ATOM 0 HB3 GLU A 100 4.249 9.386 -1.942 1.00 71.05 H new ATOM 0 HG2 GLU A 100 5.451 7.383 -2.773 1.00 53.32 H new ATOM 0 HG3 GLU A 100 4.103 6.976 -3.817 1.00 53.32 H new ATOM 1581 N PHE A 101 3.869 5.579 -0.592 1.00 24.12 N ATOM 1582 CA PHE A 101 4.862 4.663 -0.027 1.00 63.31 C ATOM 1583 C PHE A 101 5.770 4.178 -1.167 1.00 41.43 C ATOM 1584 O PHE A 101 5.296 3.567 -2.135 1.00 50.14 O ATOM 1585 CB PHE A 101 4.180 3.462 0.671 1.00 43.41 C ATOM 1586 CG PHE A 101 3.344 3.813 1.903 1.00 0.02 C ATOM 1587 CD1 PHE A 101 3.962 4.112 3.121 1.00 14.41 C ATOM 1588 CD2 PHE A 101 1.944 3.823 1.852 1.00 51.13 C ATOM 1589 CE1 PHE A 101 3.208 4.402 4.247 1.00 53.32 C ATOM 1590 CE2 PHE A 101 1.194 4.115 2.979 1.00 35.14 C ATOM 1591 CZ PHE A 101 1.828 4.408 4.174 1.00 63.52 C ATOM 0 H PHE A 101 3.060 5.111 -1.001 1.00 24.12 H new ATOM 0 HA PHE A 101 5.451 5.183 0.728 1.00 63.31 H new ATOM 0 HB2 PHE A 101 3.538 2.959 -0.052 1.00 43.41 H new ATOM 0 HB3 PHE A 101 4.950 2.748 0.965 1.00 43.41 H new ATOM 0 HD1 PHE A 101 5.040 4.117 3.185 1.00 14.41 H new ATOM 0 HD2 PHE A 101 1.443 3.600 0.922 1.00 51.13 H new ATOM 0 HE1 PHE A 101 3.700 4.624 5.183 1.00 53.32 H new ATOM 0 HE2 PHE A 101 0.115 4.114 2.926 1.00 35.14 H new ATOM 0 HZ PHE A 101 1.243 4.642 5.051 1.00 63.52 H new ATOM 1601 N GLN A 102 7.069 4.462 -1.037 1.00 23.44 N ATOM 1602 CA GLN A 102 8.089 4.100 -2.034 1.00 1.22 C ATOM 1603 C GLN A 102 9.100 3.152 -1.381 1.00 64.21 C ATOM 1604 O GLN A 102 9.374 3.265 -0.182 1.00 61.25 O ATOM 1605 CB GLN A 102 8.789 5.376 -2.587 1.00 53.41 C ATOM 1606 CG GLN A 102 9.538 6.219 -1.538 1.00 14.42 C ATOM 1607 CD GLN A 102 10.229 7.456 -2.116 1.00 54.44 C ATOM 1608 OE1 GLN A 102 9.764 8.062 -3.082 1.00 23.50 O ATOM 1609 NE2 GLN A 102 11.354 7.830 -1.534 1.00 64.33 N ATOM 0 H GLN A 102 7.449 4.955 -0.229 1.00 23.44 H new ATOM 0 HA GLN A 102 7.619 3.596 -2.879 1.00 1.22 H new ATOM 0 HB2 GLN A 102 9.495 5.077 -3.361 1.00 53.41 H new ATOM 0 HB3 GLN A 102 8.038 6.004 -3.066 1.00 53.41 H new ATOM 0 HG2 GLN A 102 8.833 6.535 -0.769 1.00 14.42 H new ATOM 0 HG3 GLN A 102 10.284 5.593 -1.049 1.00 14.42 H new ATOM 0 HE21 GLN A 102 11.713 7.307 -0.735 1.00 64.33 H new ATOM 0 HE22 GLN A 102 11.863 8.642 -1.883 1.00 64.33 H new ATOM 1618 N HIS A 103 9.623 2.200 -2.160 1.00 52.22 N ATOM 1619 CA HIS A 103 10.599 1.217 -1.662 1.00 74.25 C ATOM 1620 C HIS A 103 11.441 0.686 -2.847 1.00 54.24 C ATOM 1621 O HIS A 103 10.867 0.330 -3.873 1.00 22.52 O ATOM 1622 CB HIS A 103 9.849 0.066 -0.931 1.00 21.23 C ATOM 1623 CG HIS A 103 10.735 -0.846 -0.140 1.00 54.05 C ATOM 1624 ND1 HIS A 103 11.143 -2.093 -0.561 1.00 15.14 N ATOM 1625 CD2 HIS A 103 11.290 -0.666 1.070 1.00 1.41 C ATOM 1626 CE1 HIS A 103 11.910 -2.624 0.372 1.00 51.53 C ATOM 1627 NE2 HIS A 103 12.008 -1.783 1.363 1.00 14.13 N ATOM 0 H HIS A 103 9.386 2.087 -3.146 1.00 52.22 H new ATOM 0 HA HIS A 103 11.276 1.685 -0.947 1.00 74.25 H new ATOM 0 HB2 HIS A 103 9.106 0.500 -0.262 1.00 21.23 H new ATOM 0 HB3 HIS A 103 9.307 -0.525 -1.670 1.00 21.23 H new ATOM 0 HD2 HIS A 103 11.185 0.207 1.696 1.00 1.41 H new ATOM 0 HE1 HIS A 103 12.379 -3.595 0.323 1.00 51.53 H new ATOM 0 HE2 HIS A 103 12.538 -1.938 2.221 1.00 14.13 H new ATOM 1636 N PRO A 104 12.818 0.613 -2.723 1.00 1.14 N ATOM 1637 CA PRO A 104 13.714 0.196 -3.848 1.00 54.21 C ATOM 1638 C PRO A 104 13.465 -1.265 -4.284 1.00 52.42 C ATOM 1639 O PRO A 104 13.523 -1.585 -5.474 1.00 44.42 O ATOM 1640 CB PRO A 104 15.144 0.384 -3.256 1.00 52.13 C ATOM 1641 CG PRO A 104 14.953 0.285 -1.771 1.00 53.05 C ATOM 1642 CD PRO A 104 13.609 0.927 -1.498 1.00 51.34 C ATOM 0 HA PRO A 104 13.546 0.779 -4.753 1.00 54.21 H new ATOM 0 HB2 PRO A 104 15.828 -0.383 -3.620 1.00 52.13 H new ATOM 0 HB3 PRO A 104 15.567 1.348 -3.538 1.00 52.13 H new ATOM 0 HG2 PRO A 104 14.967 -0.754 -1.441 1.00 53.05 H new ATOM 0 HG3 PRO A 104 15.751 0.800 -1.236 1.00 53.05 H new ATOM 0 HD2 PRO A 104 13.142 0.516 -0.603 1.00 51.34 H new ATOM 0 HD3 PRO A 104 13.701 2.002 -1.345 1.00 51.34 H new ATOM 1650 N CYS A 105 13.146 -2.137 -3.297 1.00 0.41 N ATOM 1651 CA CYS A 105 12.894 -3.579 -3.531 1.00 0.03 C ATOM 1652 C CYS A 105 11.409 -3.831 -3.900 1.00 73.40 C ATOM 1653 O CYS A 105 10.989 -4.979 -4.060 1.00 14.54 O ATOM 1654 CB CYS A 105 13.299 -4.396 -2.276 1.00 0.23 C ATOM 1655 SG CYS A 105 14.791 -3.791 -1.445 1.00 73.05 S ATOM 0 H CYS A 105 13.056 -1.861 -2.319 1.00 0.41 H new ATOM 0 HA CYS A 105 13.503 -3.907 -4.374 1.00 0.03 H new ATOM 0 HB2 CYS A 105 12.472 -4.385 -1.566 1.00 0.23 H new ATOM 0 HB3 CYS A 105 13.455 -5.435 -2.567 1.00 0.23 H new ATOM 0 HG CYS A 105 15.044 -4.536 -0.410 1.00 73.05 H new ATOM 1661 N PHE A 106 10.630 -2.739 -4.028 1.00 74.20 N ATOM 1662 CA PHE A 106 9.226 -2.781 -4.462 1.00 51.23 C ATOM 1663 C PHE A 106 9.140 -2.124 -5.845 1.00 54.11 C ATOM 1664 O PHE A 106 9.244 -0.905 -5.964 1.00 11.51 O ATOM 1665 CB PHE A 106 8.311 -2.033 -3.454 1.00 55.15 C ATOM 1666 CG PHE A 106 6.820 -1.996 -3.832 1.00 12.15 C ATOM 1667 CD1 PHE A 106 5.992 -3.084 -3.565 1.00 50.35 C ATOM 1668 CD2 PHE A 106 6.253 -0.874 -4.453 1.00 70.12 C ATOM 1669 CE1 PHE A 106 4.650 -3.061 -3.904 1.00 61.31 C ATOM 1670 CE2 PHE A 106 4.912 -0.853 -4.791 1.00 24.44 C ATOM 1671 CZ PHE A 106 4.112 -1.946 -4.517 1.00 62.30 C ATOM 0 H PHE A 106 10.964 -1.796 -3.830 1.00 74.20 H new ATOM 0 HA PHE A 106 8.885 -3.815 -4.509 1.00 51.23 H new ATOM 0 HB2 PHE A 106 8.411 -2.505 -2.477 1.00 55.15 H new ATOM 0 HB3 PHE A 106 8.670 -1.009 -3.352 1.00 55.15 H new ATOM 0 HD1 PHE A 106 6.404 -3.960 -3.086 1.00 50.35 H new ATOM 0 HD2 PHE A 106 6.871 -0.015 -4.670 1.00 70.12 H new ATOM 0 HE1 PHE A 106 4.024 -3.914 -3.689 1.00 61.31 H new ATOM 0 HE2 PHE A 106 4.490 0.018 -5.269 1.00 24.44 H new ATOM 0 HZ PHE A 106 3.065 -1.928 -4.782 1.00 62.30 H new ATOM 1681 N LEU A 107 9.023 -2.952 -6.876 1.00 42.44 N ATOM 1682 CA LEU A 107 8.734 -2.516 -8.250 1.00 50.52 C ATOM 1683 C LEU A 107 7.401 -3.180 -8.671 1.00 33.43 C ATOM 1684 O LEU A 107 6.920 -4.089 -7.968 1.00 60.23 O ATOM 1685 CB LEU A 107 9.925 -2.909 -9.177 1.00 71.22 C ATOM 1686 CG LEU A 107 11.337 -2.379 -8.732 1.00 54.24 C ATOM 1687 CD1 LEU A 107 12.488 -3.096 -9.476 1.00 33.10 C ATOM 1688 CD2 LEU A 107 11.434 -0.850 -8.898 1.00 42.32 C ATOM 0 H LEU A 107 9.127 -3.963 -6.787 1.00 42.44 H new ATOM 0 HA LEU A 107 8.625 -1.434 -8.325 1.00 50.52 H new ATOM 0 HB2 LEU A 107 9.969 -3.996 -9.241 1.00 71.22 H new ATOM 0 HB3 LEU A 107 9.718 -2.539 -10.181 1.00 71.22 H new ATOM 0 HG LEU A 107 11.447 -2.612 -7.673 1.00 54.24 H new ATOM 0 HD11 LEU A 107 13.444 -2.698 -9.137 1.00 33.10 H new ATOM 0 HD12 LEU A 107 12.446 -4.165 -9.268 1.00 33.10 H new ATOM 0 HD13 LEU A 107 12.386 -2.931 -10.549 1.00 33.10 H new ATOM 0 HD21 LEU A 107 12.421 -0.512 -8.583 1.00 42.32 H new ATOM 0 HD22 LEU A 107 11.277 -0.587 -9.944 1.00 42.32 H new ATOM 0 HD23 LEU A 107 10.672 -0.368 -8.285 1.00 42.32 H new ATOM 1700 N ARG A 108 6.819 -2.724 -9.800 1.00 51.13 N ATOM 1701 CA ARG A 108 5.481 -3.163 -10.255 1.00 65.44 C ATOM 1702 C ARG A 108 5.458 -4.690 -10.511 1.00 32.42 C ATOM 1703 O ARG A 108 5.028 -5.461 -9.645 1.00 40.31 O ATOM 1704 CB ARG A 108 5.058 -2.373 -11.532 1.00 65.41 C ATOM 1705 CG ARG A 108 3.610 -2.667 -12.025 1.00 5.53 C ATOM 1706 CD ARG A 108 3.435 -2.542 -13.549 1.00 32.34 C ATOM 1707 NE ARG A 108 4.350 -3.439 -14.277 1.00 32.53 N ATOM 1708 CZ ARG A 108 4.127 -4.739 -14.544 1.00 52.42 C ATOM 1709 NH1 ARG A 108 3.007 -5.354 -14.171 1.00 75.31 N ATOM 1710 NH2 ARG A 108 5.049 -5.433 -15.184 1.00 51.31 N ATOM 0 H ARG A 108 7.260 -2.044 -10.420 1.00 51.13 H new ATOM 0 HA ARG A 108 4.760 -2.949 -9.466 1.00 65.44 H new ATOM 0 HB2 ARG A 108 5.150 -1.306 -11.330 1.00 65.41 H new ATOM 0 HB3 ARG A 108 5.756 -2.607 -12.336 1.00 65.41 H new ATOM 0 HG2 ARG A 108 3.329 -3.674 -11.718 1.00 5.53 H new ATOM 0 HG3 ARG A 108 2.922 -1.980 -11.532 1.00 5.53 H new ATOM 0 HD2 ARG A 108 2.405 -2.776 -13.818 1.00 32.34 H new ATOM 0 HD3 ARG A 108 3.617 -1.511 -13.853 1.00 32.34 H new ATOM 0 HE ARG A 108 5.229 -3.040 -14.607 1.00 32.53 H new ATOM 0 HH11 ARG A 108 2.286 -4.838 -13.667 1.00 75.31 H new ATOM 0 HH12 ARG A 108 2.870 -6.341 -14.390 1.00 75.31 H new ATOM 0 HH21 ARG A 108 5.919 -4.983 -15.470 1.00 51.31 H new ATOM 0 HH22 ARG A 108 4.892 -6.419 -15.392 1.00 51.31 H new ATOM 1724 N GLY A 109 5.973 -5.124 -11.677 1.00 60.24 N ATOM 1725 CA GLY A 109 6.010 -6.541 -12.045 1.00 11.10 C ATOM 1726 C GLY A 109 7.240 -7.233 -11.484 1.00 63.42 C ATOM 1727 O GLY A 109 8.063 -7.764 -12.238 1.00 60.13 O ATOM 0 H GLY A 109 6.371 -4.503 -12.382 1.00 60.24 H new ATOM 0 HA2 GLY A 109 5.113 -7.037 -11.675 1.00 11.10 H new ATOM 0 HA3 GLY A 109 6.002 -6.636 -13.131 1.00 11.10 H new ATOM 1731 N GLN A 110 7.354 -7.220 -10.147 1.00 15.20 N ATOM 1732 CA GLN A 110 8.560 -7.652 -9.429 1.00 54.13 C ATOM 1733 C GLN A 110 8.148 -8.197 -8.042 1.00 52.25 C ATOM 1734 O GLN A 110 8.883 -8.073 -7.057 1.00 43.24 O ATOM 1735 CB GLN A 110 9.531 -6.431 -9.318 1.00 64.24 C ATOM 1736 CG GLN A 110 11.032 -6.765 -9.215 1.00 24.32 C ATOM 1737 CD GLN A 110 11.602 -7.362 -10.506 1.00 23.13 C ATOM 1738 OE1 GLN A 110 11.620 -8.578 -10.692 1.00 72.22 O ATOM 1739 NE2 GLN A 110 12.052 -6.505 -11.417 1.00 1.12 N ATOM 0 H GLN A 110 6.605 -6.907 -9.530 1.00 15.20 H new ATOM 0 HA GLN A 110 9.077 -8.452 -9.959 1.00 54.13 H new ATOM 0 HB2 GLN A 110 9.381 -5.793 -10.189 1.00 64.24 H new ATOM 0 HB3 GLN A 110 9.249 -5.847 -8.442 1.00 64.24 H new ATOM 0 HG2 GLN A 110 11.584 -5.859 -8.966 1.00 24.32 H new ATOM 0 HG3 GLN A 110 11.187 -7.468 -8.397 1.00 24.32 H new ATOM 0 HE21 GLN A 110 12.023 -5.502 -11.232 1.00 1.12 H new ATOM 0 HE22 GLN A 110 12.426 -6.850 -12.301 1.00 1.12 H new ATOM 1748 N GLU A 111 6.971 -8.859 -8.014 1.00 53.22 N ATOM 1749 CA GLU A 111 6.326 -9.380 -6.783 1.00 14.15 C ATOM 1750 C GLU A 111 7.154 -10.486 -6.083 1.00 4.10 C ATOM 1751 O GLU A 111 6.954 -10.756 -4.893 1.00 61.21 O ATOM 1752 CB GLU A 111 4.906 -9.911 -7.119 1.00 24.13 C ATOM 1753 CG GLU A 111 4.886 -11.010 -8.194 1.00 35.00 C ATOM 1754 CD GLU A 111 3.484 -11.537 -8.500 1.00 61.13 C ATOM 1755 OE1 GLU A 111 2.813 -10.988 -9.401 1.00 4.41 O ATOM 1756 OE2 GLU A 111 3.047 -12.513 -7.851 1.00 31.31 O ATOM 0 H GLU A 111 6.432 -9.051 -8.858 1.00 53.22 H new ATOM 0 HA GLU A 111 6.261 -8.548 -6.082 1.00 14.15 H new ATOM 0 HB2 GLU A 111 4.450 -10.300 -6.208 1.00 24.13 H new ATOM 0 HB3 GLU A 111 4.288 -9.078 -7.454 1.00 24.13 H new ATOM 0 HG2 GLU A 111 5.327 -10.619 -9.111 1.00 35.00 H new ATOM 0 HG3 GLU A 111 5.514 -11.839 -7.867 1.00 35.00 H new ATOM 1763 N GLN A 112 8.082 -11.133 -6.825 1.00 63.04 N ATOM 1764 CA GLN A 112 8.974 -12.171 -6.241 1.00 73.31 C ATOM 1765 C GLN A 112 10.051 -11.555 -5.308 1.00 0.31 C ATOM 1766 O GLN A 112 10.794 -12.291 -4.662 1.00 71.01 O ATOM 1767 CB GLN A 112 9.633 -13.072 -7.342 1.00 14.22 C ATOM 1768 CG GLN A 112 10.911 -12.533 -8.025 1.00 35.14 C ATOM 1769 CD GLN A 112 10.707 -11.250 -8.828 1.00 73.14 C ATOM 1770 OE1 GLN A 112 10.366 -11.286 -10.008 1.00 31.41 O ATOM 1771 NE2 GLN A 112 10.936 -10.109 -8.207 1.00 25.04 N ATOM 0 H GLN A 112 8.235 -10.960 -7.819 1.00 63.04 H new ATOM 0 HA GLN A 112 8.338 -12.813 -5.631 1.00 73.31 H new ATOM 0 HB2 GLN A 112 9.872 -14.036 -6.892 1.00 14.22 H new ATOM 0 HB3 GLN A 112 8.889 -13.258 -8.116 1.00 14.22 H new ATOM 0 HG2 GLN A 112 11.667 -12.352 -7.261 1.00 35.14 H new ATOM 0 HG3 GLN A 112 11.306 -13.303 -8.688 1.00 35.14 H new ATOM 0 HE21 GLN A 112 11.218 -10.110 -7.227 1.00 25.04 H new ATOM 0 HE22 GLN A 112 10.831 -9.226 -8.707 1.00 25.04 H new ATOM 1780 N LEU A 113 10.153 -10.203 -5.282 1.00 12.43 N ATOM 1781 CA LEU A 113 11.039 -9.468 -4.342 1.00 62.05 C ATOM 1782 C LEU A 113 10.321 -9.163 -3.009 1.00 41.30 C ATOM 1783 O LEU A 113 10.996 -8.856 -2.027 1.00 4.04 O ATOM 1784 CB LEU A 113 11.595 -8.137 -4.964 1.00 61.04 C ATOM 1785 CG LEU A 113 12.775 -8.260 -5.988 1.00 50.32 C ATOM 1786 CD1 LEU A 113 13.328 -6.859 -6.382 1.00 12.14 C ATOM 1787 CD2 LEU A 113 13.893 -9.180 -5.443 1.00 71.52 C ATOM 0 H LEU A 113 9.627 -9.593 -5.908 1.00 12.43 H new ATOM 0 HA LEU A 113 11.885 -10.126 -4.144 1.00 62.05 H new ATOM 0 HB2 LEU A 113 10.770 -7.626 -5.460 1.00 61.04 H new ATOM 0 HB3 LEU A 113 11.923 -7.494 -4.147 1.00 61.04 H new ATOM 0 HG LEU A 113 12.384 -8.722 -6.894 1.00 50.32 H new ATOM 0 HD11 LEU A 113 14.145 -6.977 -7.093 1.00 12.14 H new ATOM 0 HD12 LEU A 113 12.533 -6.269 -6.838 1.00 12.14 H new ATOM 0 HD13 LEU A 113 13.693 -6.348 -5.491 1.00 12.14 H new ATOM 0 HD21 LEU A 113 14.698 -9.247 -6.175 1.00 71.52 H new ATOM 0 HD22 LEU A 113 14.282 -8.768 -4.512 1.00 71.52 H new ATOM 0 HD23 LEU A 113 13.488 -10.175 -5.258 1.00 71.52 H new ATOM 1799 N LEU A 114 8.970 -9.261 -2.980 1.00 64.42 N ATOM 1800 CA LEU A 114 8.165 -8.998 -1.756 1.00 34.30 C ATOM 1801 C LEU A 114 8.532 -9.983 -0.623 1.00 53.13 C ATOM 1802 O LEU A 114 8.599 -9.612 0.551 1.00 22.40 O ATOM 1803 CB LEU A 114 6.646 -9.072 -2.079 1.00 55.55 C ATOM 1804 CG LEU A 114 6.099 -8.002 -3.080 1.00 2.22 C ATOM 1805 CD1 LEU A 114 4.601 -8.238 -3.391 1.00 2.45 C ATOM 1806 CD2 LEU A 114 6.356 -6.569 -2.556 1.00 35.32 C ATOM 0 H LEU A 114 8.410 -9.521 -3.792 1.00 64.42 H new ATOM 0 HA LEU A 114 8.397 -7.991 -1.409 1.00 34.30 H new ATOM 0 HB2 LEU A 114 6.430 -10.061 -2.483 1.00 55.55 H new ATOM 0 HB3 LEU A 114 6.092 -8.981 -1.144 1.00 55.55 H new ATOM 0 HG LEU A 114 6.644 -8.110 -4.018 1.00 2.22 H new ATOM 0 HD11 LEU A 114 4.250 -7.478 -4.089 1.00 2.45 H new ATOM 0 HD12 LEU A 114 4.473 -9.225 -3.834 1.00 2.45 H new ATOM 0 HD13 LEU A 114 4.024 -8.177 -2.468 1.00 2.45 H new ATOM 0 HD21 LEU A 114 5.966 -5.845 -3.271 1.00 35.32 H new ATOM 0 HD22 LEU A 114 5.856 -6.437 -1.597 1.00 35.32 H new ATOM 0 HD23 LEU A 114 7.428 -6.414 -2.431 1.00 35.32 H new ATOM 1818 N GLU A 115 8.820 -11.231 -1.013 1.00 45.40 N ATOM 1819 CA GLU A 115 9.245 -12.301 -0.083 1.00 1.31 C ATOM 1820 C GLU A 115 10.687 -12.097 0.426 1.00 51.33 C ATOM 1821 O GLU A 115 11.100 -12.711 1.414 1.00 31.44 O ATOM 1822 CB GLU A 115 9.114 -13.668 -0.776 1.00 2.21 C ATOM 1823 CG GLU A 115 9.944 -13.849 -2.054 1.00 5.31 C ATOM 1824 CD GLU A 115 9.641 -15.173 -2.765 1.00 74.03 C ATOM 1825 OE1 GLU A 115 10.215 -16.211 -2.377 1.00 62.14 O ATOM 1826 OE2 GLU A 115 8.822 -15.179 -3.705 1.00 4.30 O ATOM 0 H GLU A 115 8.767 -11.535 -1.985 1.00 45.40 H new ATOM 0 HA GLU A 115 8.591 -12.262 0.788 1.00 1.31 H new ATOM 0 HB2 GLU A 115 9.401 -14.444 -0.066 1.00 2.21 H new ATOM 0 HB3 GLU A 115 8.064 -13.832 -1.020 1.00 2.21 H new ATOM 0 HG2 GLU A 115 9.745 -13.021 -2.734 1.00 5.31 H new ATOM 0 HG3 GLU A 115 11.004 -13.808 -1.804 1.00 5.31 H new ATOM 1833 N ASN A 116 11.435 -11.226 -0.262 1.00 30.51 N ATOM 1834 CA ASN A 116 12.824 -10.876 0.097 1.00 11.14 C ATOM 1835 C ASN A 116 12.851 -9.567 0.915 1.00 44.21 C ATOM 1836 O ASN A 116 13.897 -9.189 1.446 1.00 64.13 O ATOM 1837 CB ASN A 116 13.679 -10.735 -1.184 1.00 4.33 C ATOM 1838 CG ASN A 116 13.758 -12.036 -1.991 1.00 44.33 C ATOM 1839 OD1 ASN A 116 14.648 -12.864 -1.798 1.00 11.32 O ATOM 1840 ND2 ASN A 116 12.827 -12.232 -2.893 1.00 23.32 N ATOM 0 H ASN A 116 11.095 -10.738 -1.091 1.00 30.51 H new ATOM 0 HA ASN A 116 13.244 -11.672 0.711 1.00 11.14 H new ATOM 0 HB2 ASN A 116 13.259 -9.949 -1.811 1.00 4.33 H new ATOM 0 HB3 ASN A 116 14.686 -10.421 -0.910 1.00 4.33 H new ATOM 0 HD21 ASN A 116 12.830 -13.085 -3.452 1.00 23.32 H new ATOM 0 HD22 ASN A 116 12.099 -11.532 -3.035 1.00 23.32 H new ATOM 1847 N ILE A 117 11.686 -8.893 1.026 1.00 63.31 N ATOM 1848 CA ILE A 117 11.525 -7.701 1.880 1.00 1.24 C ATOM 1849 C ILE A 117 11.118 -8.186 3.283 1.00 62.32 C ATOM 1850 O ILE A 117 10.180 -8.986 3.409 1.00 55.33 O ATOM 1851 CB ILE A 117 10.430 -6.697 1.325 1.00 71.11 C ATOM 1852 CG1 ILE A 117 10.733 -6.260 -0.144 1.00 14.11 C ATOM 1853 CG2 ILE A 117 10.291 -5.458 2.243 1.00 64.35 C ATOM 1854 CD1 ILE A 117 9.662 -5.378 -0.780 1.00 32.23 C ATOM 0 H ILE A 117 10.836 -9.160 0.528 1.00 63.31 H new ATOM 0 HA ILE A 117 12.468 -7.155 1.899 1.00 1.24 H new ATOM 0 HB ILE A 117 9.480 -7.231 1.322 1.00 71.11 H new ATOM 0 HG12 ILE A 117 11.682 -5.725 -0.161 1.00 14.11 H new ATOM 0 HG13 ILE A 117 10.859 -7.153 -0.756 1.00 14.11 H new ATOM 0 HG21 ILE A 117 9.533 -4.788 1.837 1.00 64.35 H new ATOM 0 HG22 ILE A 117 9.995 -5.777 3.242 1.00 64.35 H new ATOM 0 HG23 ILE A 117 11.246 -4.936 2.296 1.00 64.35 H new ATOM 0 HD11 ILE A 117 9.957 -5.124 -1.798 1.00 32.23 H new ATOM 0 HD12 ILE A 117 8.714 -5.915 -0.800 1.00 32.23 H new ATOM 0 HD13 ILE A 117 9.549 -4.464 -0.196 1.00 32.23 H new ATOM 1866 N LYS A 118 11.811 -7.692 4.327 1.00 11.01 N ATOM 1867 CA LYS A 118 11.656 -8.187 5.707 1.00 24.24 C ATOM 1868 C LYS A 118 10.869 -7.175 6.540 1.00 31.42 C ATOM 1869 O LYS A 118 11.057 -5.969 6.387 1.00 50.50 O ATOM 1870 CB LYS A 118 13.047 -8.439 6.367 1.00 41.23 C ATOM 1871 CG LYS A 118 13.972 -9.375 5.575 1.00 30.12 C ATOM 1872 CD LYS A 118 13.308 -10.727 5.245 1.00 4.05 C ATOM 1873 CE LYS A 118 14.271 -11.691 4.562 1.00 61.54 C ATOM 1874 NZ LYS A 118 14.849 -11.134 3.314 1.00 54.44 N ATOM 0 H LYS A 118 12.493 -6.939 4.237 1.00 11.01 H new ATOM 0 HA LYS A 118 11.112 -9.131 5.671 1.00 24.24 H new ATOM 0 HB2 LYS A 118 13.550 -7.481 6.501 1.00 41.23 H new ATOM 0 HB3 LYS A 118 12.892 -8.859 7.361 1.00 41.23 H new ATOM 0 HG2 LYS A 118 14.270 -8.885 4.648 1.00 30.12 H new ATOM 0 HG3 LYS A 118 14.881 -9.552 6.149 1.00 30.12 H new ATOM 0 HD2 LYS A 118 12.934 -11.180 6.163 1.00 4.05 H new ATOM 0 HD3 LYS A 118 12.446 -10.558 4.599 1.00 4.05 H new ATOM 0 HE2 LYS A 118 15.078 -11.942 5.251 1.00 61.54 H new ATOM 0 HE3 LYS A 118 13.748 -12.619 4.333 1.00 61.54 H new ATOM 0 HZ1 LYS A 118 14.898 -11.880 2.591 1.00 54.44 H new ATOM 0 HZ2 LYS A 118 14.249 -10.357 2.970 1.00 54.44 H new ATOM 0 HZ3 LYS A 118 15.806 -10.774 3.505 1.00 54.44 H new ATOM 1888 N ARG A 119 9.993 -7.697 7.411 1.00 22.24 N ATOM 1889 CA ARG A 119 9.289 -6.912 8.449 1.00 74.14 C ATOM 1890 C ARG A 119 10.087 -6.934 9.772 1.00 73.04 C ATOM 1891 O ARG A 119 9.613 -6.450 10.804 1.00 12.25 O ATOM 1892 CB ARG A 119 7.856 -7.469 8.678 1.00 24.44 C ATOM 1893 CG ARG A 119 7.785 -8.981 8.999 1.00 44.30 C ATOM 1894 CD ARG A 119 6.375 -9.409 9.446 1.00 62.01 C ATOM 1895 NE ARG A 119 5.986 -8.757 10.705 1.00 13.44 N ATOM 1896 CZ ARG A 119 4.743 -8.630 11.180 1.00 44.11 C ATOM 1897 NH1 ARG A 119 3.682 -9.129 10.531 1.00 4.12 N ATOM 1898 NH2 ARG A 119 4.567 -8.005 12.335 1.00 73.14 N ATOM 0 H ARG A 119 9.747 -8.687 7.419 1.00 22.24 H new ATOM 0 HA ARG A 119 9.209 -5.881 8.104 1.00 74.14 H new ATOM 0 HB2 ARG A 119 7.395 -6.917 9.497 1.00 24.44 H new ATOM 0 HB3 ARG A 119 7.260 -7.274 7.786 1.00 24.44 H new ATOM 0 HG2 ARG A 119 8.075 -9.553 8.118 1.00 44.30 H new ATOM 0 HG3 ARG A 119 8.502 -9.219 9.784 1.00 44.30 H new ATOM 0 HD2 ARG A 119 5.654 -9.158 8.668 1.00 62.01 H new ATOM 0 HD3 ARG A 119 6.345 -10.491 9.572 1.00 62.01 H new ATOM 0 HE ARG A 119 6.738 -8.363 11.271 1.00 13.44 H new ATOM 0 HH11 ARG A 119 3.810 -9.623 9.648 1.00 4.12 H new ATOM 0 HH12 ARG A 119 2.746 -9.015 10.920 1.00 4.12 H new ATOM 0 HH21 ARG A 119 5.371 -7.633 12.841 1.00 73.14 H new ATOM 0 HH22 ARG A 119 3.628 -7.896 12.718 1.00 73.14 H new