USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 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= -0.598 K(o=0.005,f=-2.4) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.603 K(o=0.005,f=-5.7!) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.0744 X(o=-2.2,f=-1.9) USER MOD Set 2.2: A 77 MET CE :methyl -175:sc= -2.16! (180deg=-1.87!) USER MOD Set 3.1: A 51 GLN : amide:sc= -1.32 K(o=-1.8,f=-6.1!) USER MOD Set 3.2: A 68 MET CE :methyl -121:sc= -0.158 (180deg=-1.49!) USER MOD Set 3.3: A 82 LYS NZ :NH3+ 168:sc= -0.0978 (180deg=-0.735) USER MOD Set 3.4: A 99 THR OG1 : rot 110:sc= -0.239 USER MOD Set 4.1: A 40 SER OG : rot -68:sc= 0.437 USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 45 SER OG : rot -4:sc= 0.0156 USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.177 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 86:sc= 0.637 USER MOD Single : A 29 SER OG : rot -18:sc= 0.299 USER MOD Single : A 33 THR OG1 : rot -91:sc= -0.794 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.585 USER MOD Single : A 44 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 47 HIS : +bothHN:sc= 0.0315 K(o=0.031,f=-3.1!) USER MOD Single : A 53 GLN : amide:sc= 0.616 K(o=0.62,f=-0.42) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0.259 (180deg=-0.37) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0586) USER MOD Single : A 65 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.12 K(o=-0.12,f=-6.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.19) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.576 USER MOD Single : A 85 HIS : no HD1:sc= 0.0474 K(o=0.047,f=-1.2) USER MOD Single : A 102 GLN : amide:sc= -0.848 X(o=-0.85,f=-0.4) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -1.03 F(o=-3.2,f=-1) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.107 F(o=-1.6!,f=-0.11) USER MOD Single : A 118 LYS NZ :NH3+ -122:sc= 0.858 (180deg=-0.376) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.390 -14.727 0.112 1.00 32.30 N ATOM 238 CA VAL A 17 5.701 -13.439 0.249 1.00 64.12 C ATOM 239 C VAL A 17 4.800 -13.483 1.498 1.00 14.11 C ATOM 240 O VAL A 17 4.004 -14.419 1.638 1.00 31.21 O ATOM 241 CB VAL A 17 4.821 -13.066 -1.014 1.00 74.42 C ATOM 242 CG1 VAL A 17 4.270 -11.622 -0.887 1.00 44.11 C ATOM 243 CG2 VAL A 17 5.611 -13.241 -2.331 1.00 72.15 C ATOM 0 HA VAL A 17 6.469 -12.671 0.341 1.00 64.12 H new ATOM 0 HB VAL A 17 3.978 -13.756 -1.046 1.00 74.42 H new ATOM 0 HG11 VAL A 17 3.668 -11.384 -1.764 1.00 44.11 H new ATOM 0 HG12 VAL A 17 3.653 -11.545 0.008 1.00 44.11 H new ATOM 0 HG13 VAL A 17 5.101 -10.920 -0.816 1.00 44.11 H new ATOM 0 HG21 VAL A 17 4.974 -12.976 -3.175 1.00 72.15 H new ATOM 0 HG22 VAL A 17 6.487 -12.592 -2.319 1.00 72.15 H new ATOM 0 HG23 VAL A 17 5.930 -14.279 -2.429 1.00 72.15 H new ATOM 253 N PRO A 18 4.944 -12.513 2.448 1.00 33.42 N ATOM 254 CA PRO A 18 3.998 -12.357 3.568 1.00 72.11 C ATOM 255 C PRO A 18 2.605 -11.938 3.041 1.00 53.10 C ATOM 256 O PRO A 18 2.511 -11.196 2.050 1.00 75.03 O ATOM 257 CB PRO A 18 4.648 -11.253 4.458 1.00 1.23 C ATOM 258 CG PRO A 18 6.071 -11.159 3.986 1.00 10.13 C ATOM 259 CD PRO A 18 6.023 -11.497 2.513 1.00 73.32 C ATOM 0 HA PRO A 18 3.831 -13.278 4.127 1.00 72.11 H new ATOM 0 HB2 PRO A 18 4.131 -10.300 4.345 1.00 1.23 H new ATOM 0 HB3 PRO A 18 4.599 -11.518 5.514 1.00 1.23 H new ATOM 0 HG2 PRO A 18 6.474 -10.159 4.148 1.00 10.13 H new ATOM 0 HG3 PRO A 18 6.713 -11.853 4.529 1.00 10.13 H new ATOM 0 HD2 PRO A 18 5.793 -10.623 1.904 1.00 73.32 H new ATOM 0 HD3 PRO A 18 6.974 -11.893 2.157 1.00 73.32 H new ATOM 267 N ALA A 19 1.550 -12.435 3.720 1.00 35.14 N ATOM 268 CA ALA A 19 0.131 -12.194 3.383 1.00 64.41 C ATOM 269 C ALA A 19 -0.171 -10.711 3.143 1.00 53.05 C ATOM 270 O ALA A 19 -0.908 -10.378 2.218 1.00 43.14 O ATOM 271 CB ALA A 19 -0.783 -12.751 4.492 1.00 24.32 C ATOM 0 H ALA A 19 1.665 -13.031 4.540 1.00 35.14 H new ATOM 0 HA ALA A 19 -0.070 -12.718 2.448 1.00 64.41 H new ATOM 0 HB1 ALA A 19 -1.825 -12.567 4.231 1.00 24.32 H new ATOM 0 HB2 ALA A 19 -0.619 -13.824 4.594 1.00 24.32 H new ATOM 0 HB3 ALA A 19 -0.552 -12.257 5.436 1.00 24.32 H new ATOM 277 N PHE A 20 0.442 -9.840 3.976 1.00 41.24 N ATOM 278 CA PHE A 20 0.325 -8.378 3.867 1.00 73.14 C ATOM 279 C PHE A 20 0.695 -7.849 2.460 1.00 62.42 C ATOM 280 O PHE A 20 -0.041 -7.044 1.903 1.00 65.45 O ATOM 281 CB PHE A 20 1.212 -7.679 4.940 1.00 0.34 C ATOM 282 CG PHE A 20 1.106 -6.157 4.909 1.00 64.13 C ATOM 283 CD1 PHE A 20 0.004 -5.517 5.467 1.00 43.24 C ATOM 284 CD2 PHE A 20 2.076 -5.371 4.286 1.00 32.41 C ATOM 285 CE1 PHE A 20 -0.122 -4.148 5.407 1.00 71.12 C ATOM 286 CE2 PHE A 20 1.946 -4.001 4.224 1.00 72.04 C ATOM 287 CZ PHE A 20 0.848 -3.389 4.785 1.00 61.50 C ATOM 0 H PHE A 20 1.036 -10.141 4.748 1.00 41.24 H new ATOM 0 HA PHE A 20 -0.724 -8.137 4.039 1.00 73.14 H new ATOM 0 HB2 PHE A 20 0.925 -8.037 5.929 1.00 0.34 H new ATOM 0 HB3 PHE A 20 2.252 -7.968 4.786 1.00 0.34 H new ATOM 0 HD1 PHE A 20 -0.762 -6.102 5.954 1.00 43.24 H new ATOM 0 HD2 PHE A 20 2.942 -5.844 3.846 1.00 32.41 H new ATOM 0 HE1 PHE A 20 -0.982 -3.666 5.848 1.00 71.12 H new ATOM 0 HE2 PHE A 20 2.705 -3.408 3.736 1.00 72.04 H new ATOM 0 HZ PHE A 20 0.746 -2.315 4.738 1.00 61.50 H new ATOM 297 N LEU A 21 1.814 -8.343 1.893 1.00 11.30 N ATOM 298 CA LEU A 21 2.392 -7.802 0.640 1.00 12.44 C ATOM 299 C LEU A 21 1.683 -8.416 -0.570 1.00 15.23 C ATOM 300 O LEU A 21 1.597 -7.792 -1.634 1.00 52.31 O ATOM 301 CB LEU A 21 3.919 -8.078 0.579 1.00 74.24 C ATOM 302 CG LEU A 21 4.777 -7.407 1.701 1.00 53.01 C ATOM 303 CD1 LEU A 21 6.250 -7.827 1.584 1.00 21.35 C ATOM 304 CD2 LEU A 21 4.633 -5.868 1.680 1.00 1.20 C ATOM 0 H LEU A 21 2.342 -9.123 2.285 1.00 11.30 H new ATOM 0 HA LEU A 21 2.243 -6.722 0.622 1.00 12.44 H new ATOM 0 HB2 LEU A 21 4.076 -9.156 0.623 1.00 74.24 H new ATOM 0 HB3 LEU A 21 4.292 -7.741 -0.388 1.00 74.24 H new ATOM 0 HG LEU A 21 4.400 -7.756 2.662 1.00 53.01 H new ATOM 0 HD11 LEU A 21 6.829 -7.349 2.374 1.00 21.35 H new ATOM 0 HD12 LEU A 21 6.328 -8.910 1.681 1.00 21.35 H new ATOM 0 HD13 LEU A 21 6.640 -7.521 0.613 1.00 21.35 H new ATOM 0 HD21 LEU A 21 5.243 -5.435 2.473 1.00 1.20 H new ATOM 0 HD22 LEU A 21 4.966 -5.485 0.716 1.00 1.20 H new ATOM 0 HD23 LEU A 21 3.589 -5.598 1.837 1.00 1.20 H new ATOM 316 N THR A 22 1.201 -9.649 -0.372 1.00 32.12 N ATOM 317 CA THR A 22 0.330 -10.357 -1.306 1.00 43.40 C ATOM 318 C THR A 22 -0.983 -9.572 -1.545 1.00 42.51 C ATOM 319 O THR A 22 -1.368 -9.323 -2.695 1.00 61.24 O ATOM 320 CB THR A 22 0.022 -11.779 -0.735 1.00 0.45 C ATOM 321 OG1 THR A 22 1.246 -12.483 -0.513 1.00 5.13 O ATOM 322 CG2 THR A 22 -0.862 -12.608 -1.660 1.00 51.22 C ATOM 0 H THR A 22 1.414 -10.192 0.465 1.00 32.12 H new ATOM 0 HA THR A 22 0.837 -10.450 -2.267 1.00 43.40 H new ATOM 0 HB THR A 22 -0.520 -11.634 0.200 1.00 0.45 H new ATOM 0 HG1 THR A 22 1.636 -12.200 0.340 1.00 5.13 H new ATOM 0 HG21 THR A 22 -1.042 -13.585 -1.212 1.00 51.22 H new ATOM 0 HG22 THR A 22 -1.813 -12.096 -1.810 1.00 51.22 H new ATOM 0 HG23 THR A 22 -0.364 -12.736 -2.621 1.00 51.22 H new ATOM 330 N LYS A 23 -1.643 -9.175 -0.435 1.00 42.31 N ATOM 331 CA LYS A 23 -2.890 -8.391 -0.479 1.00 31.40 C ATOM 332 C LYS A 23 -2.604 -6.975 -1.006 1.00 5.41 C ATOM 333 O LYS A 23 -3.342 -6.468 -1.850 1.00 22.12 O ATOM 334 CB LYS A 23 -3.549 -8.312 0.935 1.00 35.44 C ATOM 335 CG LYS A 23 -3.895 -9.660 1.631 1.00 53.45 C ATOM 336 CD LYS A 23 -5.122 -10.417 1.051 1.00 61.12 C ATOM 337 CE LYS A 23 -4.848 -11.172 -0.255 1.00 42.13 C ATOM 338 NZ LYS A 23 -6.060 -11.879 -0.752 1.00 5.10 N ATOM 0 H LYS A 23 -1.326 -9.389 0.510 1.00 42.31 H new ATOM 0 HA LYS A 23 -3.585 -8.891 -1.153 1.00 31.40 H new ATOM 0 HB2 LYS A 23 -2.879 -7.755 1.590 1.00 35.44 H new ATOM 0 HB3 LYS A 23 -4.467 -7.730 0.849 1.00 35.44 H new ATOM 0 HG2 LYS A 23 -3.025 -10.314 1.571 1.00 53.45 H new ATOM 0 HG3 LYS A 23 -4.076 -9.467 2.688 1.00 53.45 H new ATOM 0 HD2 LYS A 23 -5.480 -11.126 1.797 1.00 61.12 H new ATOM 0 HD3 LYS A 23 -5.926 -9.701 0.880 1.00 61.12 H new ATOM 0 HE2 LYS A 23 -4.500 -10.471 -1.014 1.00 42.13 H new ATOM 0 HE3 LYS A 23 -4.046 -11.893 -0.096 1.00 42.13 H new ATOM 0 HZ1 LYS A 23 -5.833 -12.377 -1.636 1.00 5.10 H new ATOM 0 HZ2 LYS A 23 -6.378 -12.566 -0.039 1.00 5.10 H new ATOM 0 HZ3 LYS A 23 -6.817 -11.188 -0.928 1.00 5.10 H new ATOM 352 N LEU A 24 -1.492 -6.379 -0.504 1.00 23.02 N ATOM 353 CA LEU A 24 -1.051 -5.009 -0.838 1.00 52.23 C ATOM 354 C LEU A 24 -0.889 -4.803 -2.357 1.00 70.32 C ATOM 355 O LEU A 24 -1.483 -3.887 -2.900 1.00 21.33 O ATOM 356 CB LEU A 24 0.278 -4.670 -0.103 1.00 44.24 C ATOM 357 CG LEU A 24 0.832 -3.219 -0.297 1.00 10.03 C ATOM 358 CD1 LEU A 24 -0.152 -2.162 0.249 1.00 4.24 C ATOM 359 CD2 LEU A 24 2.234 -3.074 0.336 1.00 55.04 C ATOM 0 H LEU A 24 -0.870 -6.848 0.154 1.00 23.02 H new ATOM 0 HA LEU A 24 -1.832 -4.328 -0.499 1.00 52.23 H new ATOM 0 HB2 LEU A 24 0.131 -4.839 0.964 1.00 44.24 H new ATOM 0 HB3 LEU A 24 1.041 -5.374 -0.435 1.00 44.24 H new ATOM 0 HG LEU A 24 0.933 -3.040 -1.367 1.00 10.03 H new ATOM 0 HD11 LEU A 24 0.264 -1.166 0.098 1.00 4.24 H new ATOM 0 HD12 LEU A 24 -1.102 -2.242 -0.279 1.00 4.24 H new ATOM 0 HD13 LEU A 24 -0.313 -2.331 1.314 1.00 4.24 H new ATOM 0 HD21 LEU A 24 2.597 -2.057 0.188 1.00 55.04 H new ATOM 0 HD22 LEU A 24 2.175 -3.286 1.404 1.00 55.04 H new ATOM 0 HD23 LEU A 24 2.921 -3.777 -0.136 1.00 55.04 H new ATOM 371 N TRP A 25 -0.096 -5.666 -3.028 1.00 13.40 N ATOM 372 CA TRP A 25 0.145 -5.561 -4.486 1.00 63.22 C ATOM 373 C TRP A 25 -1.160 -5.779 -5.302 1.00 51.52 C ATOM 374 O TRP A 25 -1.460 -4.983 -6.206 1.00 15.51 O ATOM 375 CB TRP A 25 1.292 -6.525 -4.936 1.00 22.42 C ATOM 376 CG TRP A 25 1.430 -6.701 -6.448 1.00 20.22 C ATOM 377 CD1 TRP A 25 1.548 -7.887 -7.115 1.00 62.00 C ATOM 378 CD2 TRP A 25 1.421 -5.670 -7.476 1.00 64.15 C ATOM 379 NE1 TRP A 25 1.602 -7.668 -8.466 1.00 72.30 N ATOM 380 CE2 TRP A 25 1.525 -6.327 -8.714 1.00 42.45 C ATOM 381 CE3 TRP A 25 1.329 -4.264 -7.467 1.00 13.35 C ATOM 382 CZ2 TRP A 25 1.533 -5.641 -9.924 1.00 63.31 C ATOM 383 CZ3 TRP A 25 1.338 -3.582 -8.667 1.00 34.12 C ATOM 384 CH2 TRP A 25 1.437 -4.273 -9.881 1.00 11.21 C ATOM 0 H TRP A 25 0.390 -6.445 -2.583 1.00 13.40 H new ATOM 0 HA TRP A 25 0.476 -4.544 -4.697 1.00 63.22 H new ATOM 0 HB2 TRP A 25 2.237 -6.151 -4.541 1.00 22.42 H new ATOM 0 HB3 TRP A 25 1.123 -7.503 -4.485 1.00 22.42 H new ATOM 0 HD1 TRP A 25 1.592 -8.858 -6.645 1.00 62.00 H new ATOM 0 HE1 TRP A 25 1.687 -8.394 -9.177 1.00 72.30 H new ATOM 0 HE3 TRP A 25 1.252 -3.727 -6.533 1.00 13.35 H new ATOM 0 HZ2 TRP A 25 1.612 -6.167 -10.864 1.00 63.31 H new ATOM 0 HZ3 TRP A 25 1.268 -2.504 -8.670 1.00 34.12 H new ATOM 0 HH2 TRP A 25 1.438 -3.715 -10.806 1.00 11.21 H new ATOM 395 N THR A 26 -1.946 -6.821 -4.960 1.00 54.44 N ATOM 396 CA THR A 26 -3.242 -7.099 -5.633 1.00 13.33 C ATOM 397 C THR A 26 -4.225 -5.903 -5.455 1.00 45.12 C ATOM 398 O THR A 26 -5.099 -5.662 -6.291 1.00 2.22 O ATOM 399 CB THR A 26 -3.869 -8.429 -5.098 1.00 55.40 C ATOM 400 OG1 THR A 26 -2.892 -9.479 -5.197 1.00 74.13 O ATOM 401 CG2 THR A 26 -5.136 -8.858 -5.873 1.00 43.23 C ATOM 0 H THR A 26 -1.710 -7.486 -4.223 1.00 54.44 H new ATOM 0 HA THR A 26 -3.055 -7.222 -6.700 1.00 13.33 H new ATOM 0 HB THR A 26 -4.165 -8.250 -4.064 1.00 55.40 H new ATOM 0 HG1 THR A 26 -2.328 -9.478 -4.396 1.00 74.13 H new ATOM 0 HG21 THR A 26 -5.522 -9.787 -5.453 1.00 43.23 H new ATOM 0 HG22 THR A 26 -5.894 -8.079 -5.790 1.00 43.23 H new ATOM 0 HG23 THR A 26 -4.886 -9.011 -6.923 1.00 43.23 H new ATOM 409 N LEU A 27 -4.003 -5.134 -4.377 1.00 3.44 N ATOM 410 CA LEU A 27 -4.770 -3.931 -4.032 1.00 10.41 C ATOM 411 C LEU A 27 -4.301 -2.690 -4.844 1.00 50.44 C ATOM 412 O LEU A 27 -5.137 -1.938 -5.355 1.00 43.55 O ATOM 413 CB LEU A 27 -4.624 -3.700 -2.501 1.00 53.32 C ATOM 414 CG LEU A 27 -5.271 -2.426 -1.908 1.00 51.03 C ATOM 415 CD1 LEU A 27 -6.744 -2.343 -2.310 1.00 30.41 C ATOM 416 CD2 LEU A 27 -5.086 -2.374 -0.367 1.00 62.04 C ATOM 0 H LEU A 27 -3.264 -5.339 -3.704 1.00 3.44 H new ATOM 0 HA LEU A 27 -5.819 -4.076 -4.292 1.00 10.41 H new ATOM 0 HB2 LEU A 27 -5.048 -4.563 -1.988 1.00 53.32 H new ATOM 0 HB3 LEU A 27 -3.560 -3.679 -2.263 1.00 53.32 H new ATOM 0 HG LEU A 27 -4.765 -1.552 -2.319 1.00 51.03 H new ATOM 0 HD11 LEU A 27 -7.187 -1.442 -1.886 1.00 30.41 H new ATOM 0 HD12 LEU A 27 -6.823 -2.309 -3.397 1.00 30.41 H new ATOM 0 HD13 LEU A 27 -7.274 -3.219 -1.934 1.00 30.41 H new ATOM 0 HD21 LEU A 27 -5.550 -1.469 0.025 1.00 62.04 H new ATOM 0 HD22 LEU A 27 -5.556 -3.247 0.086 1.00 62.04 H new ATOM 0 HD23 LEU A 27 -4.022 -2.369 -0.128 1.00 62.04 H new ATOM 428 N VAL A 28 -2.963 -2.488 -4.939 1.00 42.32 N ATOM 429 CA VAL A 28 -2.338 -1.376 -5.713 1.00 2.34 C ATOM 430 C VAL A 28 -2.782 -1.396 -7.192 1.00 1.15 C ATOM 431 O VAL A 28 -3.054 -0.352 -7.802 1.00 34.51 O ATOM 432 CB VAL A 28 -0.755 -1.464 -5.639 1.00 14.23 C ATOM 433 CG1 VAL A 28 -0.066 -0.439 -6.571 1.00 34.55 C ATOM 434 CG2 VAL A 28 -0.248 -1.296 -4.189 1.00 12.42 C ATOM 0 H VAL A 28 -2.281 -3.092 -4.480 1.00 42.32 H new ATOM 0 HA VAL A 28 -2.672 -0.441 -5.262 1.00 2.34 H new ATOM 0 HB VAL A 28 -0.485 -2.461 -5.988 1.00 14.23 H new ATOM 0 HG11 VAL A 28 1.016 -0.539 -6.485 1.00 34.55 H new ATOM 0 HG12 VAL A 28 -0.366 -0.625 -7.602 1.00 34.55 H new ATOM 0 HG13 VAL A 28 -0.362 0.570 -6.284 1.00 34.55 H new ATOM 0 HG21 VAL A 28 0.840 -1.361 -4.174 1.00 12.42 H new ATOM 0 HG22 VAL A 28 -0.558 -0.324 -3.805 1.00 12.42 H new ATOM 0 HG23 VAL A 28 -0.667 -2.084 -3.563 1.00 12.42 H new ATOM 444 N SER A 29 -2.861 -2.614 -7.728 1.00 14.44 N ATOM 445 CA SER A 29 -3.160 -2.880 -9.137 1.00 44.05 C ATOM 446 C SER A 29 -4.684 -3.014 -9.396 1.00 53.34 C ATOM 447 O SER A 29 -5.101 -3.133 -10.552 1.00 45.13 O ATOM 448 CB SER A 29 -2.398 -4.166 -9.550 1.00 52.00 C ATOM 449 OG SER A 29 -2.684 -4.580 -10.878 1.00 74.00 O ATOM 0 H SER A 29 -2.716 -3.464 -7.183 1.00 14.44 H new ATOM 0 HA SER A 29 -2.831 -2.037 -9.744 1.00 44.05 H new ATOM 0 HB2 SER A 29 -1.326 -3.993 -9.452 1.00 52.00 H new ATOM 0 HB3 SER A 29 -2.655 -4.971 -8.861 1.00 52.00 H new ATOM 0 HG SER A 29 -3.509 -4.149 -11.184 1.00 74.00 H new ATOM 455 N ASP A 30 -5.512 -2.991 -8.332 1.00 14.34 N ATOM 456 CA ASP A 30 -6.971 -3.209 -8.450 1.00 51.41 C ATOM 457 C ASP A 30 -7.678 -1.971 -9.057 1.00 42.23 C ATOM 458 O ASP A 30 -7.574 -0.873 -8.499 1.00 15.04 O ATOM 459 CB ASP A 30 -7.576 -3.549 -7.058 1.00 63.23 C ATOM 460 CG ASP A 30 -9.099 -3.833 -7.053 1.00 74.22 C ATOM 461 OD1 ASP A 30 -9.622 -4.411 -8.028 1.00 31.22 O ATOM 462 OD2 ASP A 30 -9.768 -3.546 -6.039 1.00 62.02 O ATOM 0 H ASP A 30 -5.195 -2.823 -7.377 1.00 14.34 H new ATOM 0 HA ASP A 30 -7.134 -4.050 -9.124 1.00 51.41 H new ATOM 0 HB2 ASP A 30 -7.059 -4.421 -6.658 1.00 63.23 H new ATOM 0 HB3 ASP A 30 -7.375 -2.720 -6.380 1.00 63.23 H new ATOM 467 N PRO A 31 -8.418 -2.135 -10.217 1.00 31.44 N ATOM 468 CA PRO A 31 -9.192 -1.028 -10.845 1.00 53.14 C ATOM 469 C PRO A 31 -10.392 -0.569 -9.986 1.00 4.15 C ATOM 470 O PRO A 31 -10.860 0.567 -10.133 1.00 11.30 O ATOM 471 CB PRO A 31 -9.655 -1.633 -12.198 1.00 21.22 C ATOM 472 CG PRO A 31 -9.689 -3.113 -11.958 1.00 73.11 C ATOM 473 CD PRO A 31 -8.536 -3.395 -11.017 1.00 34.50 C ATOM 0 HA PRO A 31 -8.592 -0.125 -10.960 1.00 53.14 H new ATOM 0 HB2 PRO A 31 -10.636 -1.255 -12.486 1.00 21.22 H new ATOM 0 HB3 PRO A 31 -8.966 -1.378 -13.003 1.00 21.22 H new ATOM 0 HG2 PRO A 31 -10.639 -3.418 -11.518 1.00 73.11 H new ATOM 0 HG3 PRO A 31 -9.578 -3.665 -12.891 1.00 73.11 H new ATOM 0 HD2 PRO A 31 -8.739 -4.256 -10.381 1.00 34.50 H new ATOM 0 HD3 PRO A 31 -7.617 -3.611 -11.562 1.00 34.50 H new ATOM 481 N ASP A 32 -10.884 -1.456 -9.095 1.00 13.22 N ATOM 482 CA ASP A 32 -12.036 -1.164 -8.213 1.00 54.55 C ATOM 483 C ASP A 32 -11.647 -0.199 -7.076 1.00 55.32 C ATOM 484 O ASP A 32 -12.451 0.650 -6.664 1.00 34.01 O ATOM 485 CB ASP A 32 -12.609 -2.479 -7.626 1.00 73.01 C ATOM 486 CG ASP A 32 -13.920 -2.280 -6.842 1.00 45.02 C ATOM 487 OD1 ASP A 32 -13.873 -2.032 -5.618 1.00 35.10 O ATOM 488 OD2 ASP A 32 -15.005 -2.386 -7.452 1.00 23.22 O ATOM 0 H ASP A 32 -10.496 -2.391 -8.966 1.00 13.22 H new ATOM 0 HA ASP A 32 -12.802 -0.678 -8.816 1.00 54.55 H new ATOM 0 HB2 ASP A 32 -12.784 -3.185 -8.438 1.00 73.01 H new ATOM 0 HB3 ASP A 32 -11.866 -2.928 -6.968 1.00 73.01 H new ATOM 493 N THR A 33 -10.403 -0.319 -6.590 1.00 22.41 N ATOM 494 CA THR A 33 -9.892 0.501 -5.469 1.00 75.02 C ATOM 495 C THR A 33 -8.817 1.488 -5.967 1.00 43.54 C ATOM 496 O THR A 33 -8.157 2.139 -5.155 1.00 13.20 O ATOM 497 CB THR A 33 -9.320 -0.393 -4.322 1.00 61.24 C ATOM 498 OG1 THR A 33 -8.307 -1.257 -4.849 1.00 23.34 O ATOM 499 CG2 THR A 33 -10.418 -1.238 -3.642 1.00 3.25 C ATOM 0 H THR A 33 -9.721 -0.983 -6.957 1.00 22.41 H new ATOM 0 HA THR A 33 -10.730 1.069 -5.065 1.00 75.02 H new ATOM 0 HB THR A 33 -8.897 0.269 -3.566 1.00 61.24 H new ATOM 0 HG1 THR A 33 -8.713 -2.104 -5.129 1.00 23.34 H new ATOM 0 HG21 THR A 33 -9.974 -1.843 -2.852 1.00 3.25 H new ATOM 0 HG22 THR A 33 -11.172 -0.578 -3.213 1.00 3.25 H new ATOM 0 HG23 THR A 33 -10.884 -1.891 -4.380 1.00 3.25 H new ATOM 507 N ASP A 34 -8.707 1.620 -7.312 1.00 61.43 N ATOM 508 CA ASP A 34 -7.711 2.476 -8.003 1.00 72.13 C ATOM 509 C ASP A 34 -7.776 3.936 -7.516 1.00 15.22 C ATOM 510 O ASP A 34 -6.740 4.599 -7.354 1.00 51.22 O ATOM 511 CB ASP A 34 -7.944 2.405 -9.540 1.00 43.53 C ATOM 512 CG ASP A 34 -7.008 3.307 -10.370 1.00 51.45 C ATOM 513 OD1 ASP A 34 -5.893 2.867 -10.710 1.00 71.12 O ATOM 514 OD2 ASP A 34 -7.394 4.451 -10.703 1.00 50.03 O ATOM 0 H ASP A 34 -9.320 1.125 -7.959 1.00 61.43 H new ATOM 0 HA ASP A 34 -6.716 2.101 -7.766 1.00 72.13 H new ATOM 0 HB2 ASP A 34 -7.817 1.373 -9.867 1.00 43.53 H new ATOM 0 HB3 ASP A 34 -8.977 2.682 -9.752 1.00 43.53 H new ATOM 519 N ALA A 35 -9.005 4.412 -7.268 1.00 63.40 N ATOM 520 CA ALA A 35 -9.266 5.794 -6.843 1.00 42.51 C ATOM 521 C ALA A 35 -8.685 6.093 -5.447 1.00 22.20 C ATOM 522 O ALA A 35 -8.302 7.229 -5.177 1.00 13.01 O ATOM 523 CB ALA A 35 -10.772 6.091 -6.890 1.00 43.25 C ATOM 0 H ALA A 35 -9.849 3.846 -7.357 1.00 63.40 H new ATOM 0 HA ALA A 35 -8.756 6.456 -7.544 1.00 42.51 H new ATOM 0 HB1 ALA A 35 -10.950 7.118 -6.573 1.00 43.25 H new ATOM 0 HB2 ALA A 35 -11.138 5.957 -7.908 1.00 43.25 H new ATOM 0 HB3 ALA A 35 -11.298 5.409 -6.223 1.00 43.25 H new ATOM 529 N LEU A 36 -8.595 5.068 -4.574 1.00 72.55 N ATOM 530 CA LEU A 36 -8.074 5.235 -3.196 1.00 53.41 C ATOM 531 C LEU A 36 -6.662 4.635 -3.045 1.00 1.51 C ATOM 532 O LEU A 36 -6.032 4.813 -2.001 1.00 34.14 O ATOM 533 CB LEU A 36 -9.056 4.618 -2.154 1.00 13.53 C ATOM 534 CG LEU A 36 -10.481 5.269 -2.081 1.00 62.15 C ATOM 535 CD1 LEU A 36 -11.324 4.647 -0.943 1.00 31.24 C ATOM 536 CD2 LEU A 36 -10.396 6.810 -1.940 1.00 51.34 C ATOM 0 H LEU A 36 -8.876 4.113 -4.797 1.00 72.55 H new ATOM 0 HA LEU A 36 -7.996 6.305 -3.002 1.00 53.41 H new ATOM 0 HB2 LEU A 36 -9.174 3.558 -2.379 1.00 13.53 H new ATOM 0 HB3 LEU A 36 -8.597 4.685 -1.168 1.00 13.53 H new ATOM 0 HG LEU A 36 -10.986 5.055 -3.023 1.00 62.15 H new ATOM 0 HD11 LEU A 36 -12.306 5.119 -0.918 1.00 31.24 H new ATOM 0 HD12 LEU A 36 -11.440 3.578 -1.119 1.00 31.24 H new ATOM 0 HD13 LEU A 36 -10.821 4.806 0.011 1.00 31.24 H new ATOM 0 HD21 LEU A 36 -11.402 7.227 -1.892 1.00 51.34 H new ATOM 0 HD22 LEU A 36 -9.855 7.063 -1.028 1.00 51.34 H new ATOM 0 HD23 LEU A 36 -9.871 7.226 -2.800 1.00 51.34 H new ATOM 548 N ILE A 37 -6.195 3.887 -4.068 1.00 2.54 N ATOM 549 CA ILE A 37 -4.810 3.378 -4.135 1.00 71.22 C ATOM 550 C ILE A 37 -4.451 2.976 -5.582 1.00 31.45 C ATOM 551 O ILE A 37 -5.163 2.185 -6.203 1.00 54.33 O ATOM 552 CB ILE A 37 -4.585 2.165 -3.150 1.00 4.10 C ATOM 553 CG1 ILE A 37 -3.099 1.670 -3.161 1.00 74.53 C ATOM 554 CG2 ILE A 37 -5.573 1.005 -3.433 1.00 63.12 C ATOM 555 CD1 ILE A 37 -2.779 0.600 -2.121 1.00 25.10 C ATOM 0 H ILE A 37 -6.767 3.620 -4.869 1.00 2.54 H new ATOM 0 HA ILE A 37 -4.147 4.184 -3.820 1.00 71.22 H new ATOM 0 HB ILE A 37 -4.793 2.531 -2.145 1.00 4.10 H new ATOM 0 HG12 ILE A 37 -2.868 1.277 -4.151 1.00 74.53 H new ATOM 0 HG13 ILE A 37 -2.444 2.525 -2.997 1.00 74.53 H new ATOM 0 HG21 ILE A 37 -5.386 0.189 -2.735 1.00 63.12 H new ATOM 0 HG22 ILE A 37 -6.596 1.360 -3.311 1.00 63.12 H new ATOM 0 HG23 ILE A 37 -5.433 0.648 -4.453 1.00 63.12 H new ATOM 0 HD11 ILE A 37 -1.729 0.317 -2.201 1.00 25.10 H new ATOM 0 HD12 ILE A 37 -2.974 0.993 -1.123 1.00 25.10 H new ATOM 0 HD13 ILE A 37 -3.405 -0.275 -2.295 1.00 25.10 H new ATOM 567 N CYS A 38 -3.351 3.521 -6.116 1.00 50.34 N ATOM 568 CA CYS A 38 -2.867 3.176 -7.464 1.00 52.31 C ATOM 569 C CYS A 38 -1.338 3.285 -7.532 1.00 74.01 C ATOM 570 O CYS A 38 -0.715 3.991 -6.731 1.00 3.44 O ATOM 571 CB CYS A 38 -3.534 4.088 -8.522 1.00 42.12 C ATOM 572 SG CYS A 38 -3.311 5.854 -8.222 1.00 3.52 S ATOM 0 H CYS A 38 -2.773 4.209 -5.633 1.00 50.34 H new ATOM 0 HA CYS A 38 -3.141 2.143 -7.680 1.00 52.31 H new ATOM 0 HB2 CYS A 38 -3.128 3.844 -9.504 1.00 42.12 H new ATOM 0 HB3 CYS A 38 -4.601 3.868 -8.554 1.00 42.12 H new ATOM 0 HG CYS A 38 -3.902 6.532 -9.161 1.00 3.52 H new ATOM 578 N TRP A 39 -0.760 2.566 -8.509 1.00 24.33 N ATOM 579 CA TRP A 39 0.694 2.556 -8.804 1.00 52.42 C ATOM 580 C TRP A 39 1.123 3.893 -9.434 1.00 63.22 C ATOM 581 O TRP A 39 0.301 4.574 -10.063 1.00 43.42 O ATOM 582 CB TRP A 39 1.049 1.354 -9.751 1.00 73.54 C ATOM 583 CG TRP A 39 0.021 1.083 -10.848 1.00 35.02 C ATOM 584 CD1 TRP A 39 -0.979 0.145 -10.812 1.00 23.31 C ATOM 585 CD2 TRP A 39 -0.117 1.750 -12.121 1.00 32.01 C ATOM 586 NE1 TRP A 39 -1.718 0.193 -11.965 1.00 74.44 N ATOM 587 CE2 TRP A 39 -1.215 1.167 -12.783 1.00 60.02 C ATOM 588 CE3 TRP A 39 0.576 2.784 -12.760 1.00 71.44 C ATOM 589 CZ2 TRP A 39 -1.631 1.580 -14.046 1.00 34.31 C ATOM 590 CZ3 TRP A 39 0.165 3.196 -14.012 1.00 3.32 C ATOM 591 CH2 TRP A 39 -0.931 2.595 -14.645 1.00 31.13 C ATOM 0 H TRP A 39 -1.296 1.961 -9.132 1.00 24.33 H new ATOM 0 HA TRP A 39 1.240 2.429 -7.869 1.00 52.42 H new ATOM 0 HB2 TRP A 39 2.015 1.549 -10.217 1.00 73.54 H new ATOM 0 HB3 TRP A 39 1.162 0.454 -9.147 1.00 73.54 H new ATOM 0 HD1 TRP A 39 -1.158 -0.534 -9.992 1.00 23.31 H new ATOM 0 HE1 TRP A 39 -2.517 -0.404 -12.179 1.00 74.44 H new ATOM 0 HE3 TRP A 39 1.422 3.254 -12.280 1.00 71.44 H new ATOM 0 HZ2 TRP A 39 -2.475 1.117 -14.536 1.00 34.31 H new ATOM 0 HZ3 TRP A 39 0.696 3.993 -14.511 1.00 3.32 H new ATOM 0 HH2 TRP A 39 -1.230 2.938 -15.624 1.00 31.13 H new ATOM 602 N SER A 40 2.403 4.264 -9.244 1.00 62.21 N ATOM 603 CA SER A 40 3.012 5.434 -9.902 1.00 32.22 C ATOM 604 C SER A 40 3.288 5.128 -11.403 1.00 44.23 C ATOM 605 O SER A 40 3.474 3.958 -11.761 1.00 43.31 O ATOM 606 CB SER A 40 4.324 5.835 -9.162 1.00 12.43 C ATOM 607 OG SER A 40 5.251 4.757 -9.074 1.00 75.13 O ATOM 0 H SER A 40 3.044 3.761 -8.630 1.00 62.21 H new ATOM 0 HA SER A 40 2.318 6.273 -9.853 1.00 32.22 H new ATOM 0 HB2 SER A 40 4.791 6.670 -9.684 1.00 12.43 H new ATOM 0 HB3 SER A 40 4.080 6.183 -8.158 1.00 12.43 H new ATOM 0 HG SER A 40 4.892 4.064 -8.481 1.00 75.13 H new ATOM 613 N PRO A 41 3.321 6.167 -12.311 1.00 64.35 N ATOM 614 CA PRO A 41 3.663 5.969 -13.753 1.00 54.52 C ATOM 615 C PRO A 41 5.121 5.491 -13.940 1.00 65.04 C ATOM 616 O PRO A 41 5.443 4.822 -14.931 1.00 2.35 O ATOM 617 CB PRO A 41 3.425 7.370 -14.379 1.00 63.24 C ATOM 618 CG PRO A 41 3.553 8.331 -13.228 1.00 1.54 C ATOM 619 CD PRO A 41 3.003 7.594 -12.023 1.00 60.44 C ATOM 0 HA PRO A 41 3.062 5.192 -14.225 1.00 54.52 H new ATOM 0 HB2 PRO A 41 4.157 7.585 -15.157 1.00 63.24 H new ATOM 0 HB3 PRO A 41 2.440 7.435 -14.841 1.00 63.24 H new ATOM 0 HG2 PRO A 41 4.592 8.619 -13.071 1.00 1.54 H new ATOM 0 HG3 PRO A 41 2.993 9.247 -13.417 1.00 1.54 H new ATOM 0 HD2 PRO A 41 3.472 7.931 -11.098 1.00 60.44 H new ATOM 0 HD3 PRO A 41 1.930 7.751 -11.912 1.00 60.44 H new ATOM 627 N SER A 42 5.979 5.844 -12.962 1.00 72.03 N ATOM 628 CA SER A 42 7.368 5.370 -12.867 1.00 50.21 C ATOM 629 C SER A 42 7.398 3.910 -12.379 1.00 10.23 C ATOM 630 O SER A 42 8.347 3.166 -12.662 1.00 34.04 O ATOM 631 CB SER A 42 8.149 6.281 -11.894 1.00 41.31 C ATOM 632 OG SER A 42 7.529 6.312 -10.612 1.00 54.22 O ATOM 0 H SER A 42 5.719 6.477 -12.205 1.00 72.03 H new ATOM 0 HA SER A 42 7.836 5.410 -13.851 1.00 50.21 H new ATOM 0 HB2 SER A 42 9.174 5.922 -11.797 1.00 41.31 H new ATOM 0 HB3 SER A 42 8.202 7.291 -12.300 1.00 41.31 H new ATOM 0 HG SER A 42 8.043 6.894 -10.014 1.00 54.22 H new ATOM 638 N GLY A 43 6.345 3.524 -11.616 1.00 24.03 N ATOM 639 CA GLY A 43 6.168 2.159 -11.120 1.00 64.42 C ATOM 640 C GLY A 43 7.042 1.833 -9.918 1.00 41.13 C ATOM 641 O GLY A 43 7.031 0.706 -9.436 1.00 35.35 O ATOM 0 H GLY A 43 5.600 4.161 -11.333 1.00 24.03 H new ATOM 0 HA2 GLY A 43 5.122 2.012 -10.850 1.00 64.42 H new ATOM 0 HA3 GLY A 43 6.392 1.457 -11.923 1.00 64.42 H new ATOM 645 N ASN A 44 7.792 2.828 -9.433 1.00 60.42 N ATOM 646 CA ASN A 44 8.789 2.653 -8.360 1.00 11.23 C ATOM 647 C ASN A 44 8.158 2.771 -6.961 1.00 64.45 C ATOM 648 O ASN A 44 8.827 2.527 -5.949 1.00 65.14 O ATOM 649 CB ASN A 44 9.927 3.698 -8.546 1.00 53.12 C ATOM 650 CG ASN A 44 10.671 3.546 -9.882 1.00 62.02 C ATOM 651 OD1 ASN A 44 10.902 2.434 -10.367 1.00 22.11 O ATOM 652 ND2 ASN A 44 11.031 4.659 -10.507 1.00 31.04 N ATOM 0 H ASN A 44 7.727 3.787 -9.774 1.00 60.42 H new ATOM 0 HA ASN A 44 9.201 1.646 -8.432 1.00 11.23 H new ATOM 0 HB2 ASN A 44 9.505 4.701 -8.484 1.00 53.12 H new ATOM 0 HB3 ASN A 44 10.639 3.601 -7.727 1.00 53.12 H new ATOM 0 HD21 ASN A 44 11.509 4.607 -11.407 1.00 31.04 H new ATOM 0 HD22 ASN A 44 10.830 5.567 -10.088 1.00 31.04 H new ATOM 659 N SER A 45 6.864 3.129 -6.919 1.00 0.24 N ATOM 660 CA SER A 45 6.130 3.395 -5.675 1.00 32.40 C ATOM 661 C SER A 45 4.613 3.268 -5.919 1.00 61.51 C ATOM 662 O SER A 45 4.178 2.992 -7.046 1.00 64.53 O ATOM 663 CB SER A 45 6.489 4.815 -5.177 1.00 54.31 C ATOM 664 OG SER A 45 6.201 5.793 -6.174 1.00 53.23 O ATOM 0 H SER A 45 6.294 3.242 -7.757 1.00 0.24 H new ATOM 0 HA SER A 45 6.411 2.667 -4.914 1.00 32.40 H new ATOM 0 HB2 SER A 45 5.928 5.039 -4.270 1.00 54.31 H new ATOM 0 HB3 SER A 45 7.547 4.857 -4.916 1.00 54.31 H new ATOM 0 HG SER A 45 5.897 5.347 -6.992 1.00 53.23 H new ATOM 670 N PHE A 46 3.809 3.467 -4.859 1.00 51.51 N ATOM 671 CA PHE A 46 2.340 3.528 -4.972 1.00 11.12 C ATOM 672 C PHE A 46 1.795 4.626 -4.055 1.00 53.10 C ATOM 673 O PHE A 46 2.362 4.893 -2.990 1.00 52.53 O ATOM 674 CB PHE A 46 1.687 2.156 -4.651 1.00 32.42 C ATOM 675 CG PHE A 46 1.830 1.667 -3.203 1.00 45.32 C ATOM 676 CD1 PHE A 46 3.014 1.081 -2.756 1.00 21.01 C ATOM 677 CD2 PHE A 46 0.770 1.774 -2.295 1.00 64.21 C ATOM 678 CE1 PHE A 46 3.133 0.619 -1.459 1.00 41.41 C ATOM 679 CE2 PHE A 46 0.894 1.307 -1.001 1.00 34.43 C ATOM 680 CZ PHE A 46 2.075 0.731 -0.584 1.00 3.13 C ATOM 0 H PHE A 46 4.155 3.589 -3.907 1.00 51.51 H new ATOM 0 HA PHE A 46 2.083 3.771 -6.003 1.00 11.12 H new ATOM 0 HB2 PHE A 46 0.625 2.216 -4.890 1.00 32.42 H new ATOM 0 HB3 PHE A 46 2.121 1.406 -5.312 1.00 32.42 H new ATOM 0 HD1 PHE A 46 3.850 0.987 -3.433 1.00 21.01 H new ATOM 0 HD2 PHE A 46 -0.158 2.228 -2.611 1.00 64.21 H new ATOM 0 HE1 PHE A 46 4.058 0.169 -1.130 1.00 41.41 H new ATOM 0 HE2 PHE A 46 0.064 1.393 -0.315 1.00 34.43 H new ATOM 0 HZ PHE A 46 2.171 0.368 0.429 1.00 3.13 H new ATOM 690 N HIS A 47 0.688 5.248 -4.479 1.00 25.05 N ATOM 691 CA HIS A 47 0.051 6.368 -3.770 1.00 22.02 C ATOM 692 C HIS A 47 -1.286 5.898 -3.195 1.00 33.11 C ATOM 693 O HIS A 47 -1.996 5.109 -3.825 1.00 74.44 O ATOM 694 CB HIS A 47 -0.171 7.573 -4.721 1.00 22.41 C ATOM 695 CG HIS A 47 1.091 8.183 -5.271 1.00 43.21 C ATOM 696 ND1 HIS A 47 1.371 9.522 -5.178 1.00 12.22 N ATOM 697 CD2 HIS A 47 2.134 7.639 -5.944 1.00 14.02 C ATOM 698 CE1 HIS A 47 2.517 9.776 -5.758 1.00 31.44 C ATOM 699 NE2 HIS A 47 3.002 8.653 -6.230 1.00 14.33 N ATOM 0 H HIS A 47 0.202 4.985 -5.336 1.00 25.05 H new ATOM 0 HA HIS A 47 0.706 6.696 -2.963 1.00 22.02 H new ATOM 0 HB2 HIS A 47 -0.795 7.250 -5.554 1.00 22.41 H new ATOM 0 HB3 HIS A 47 -0.727 8.343 -4.186 1.00 22.41 H new ATOM 0 HD1 HIS A 47 0.776 10.216 -4.725 1.00 12.22 H new ATOM 0 HD2 HIS A 47 2.256 6.598 -6.205 1.00 14.02 H new ATOM 0 HE1 HIS A 47 2.984 10.747 -5.835 1.00 31.44 H new ATOM 0 HE2 HIS A 47 3.885 8.553 -6.730 1.00 14.33 H new ATOM 708 N VAL A 48 -1.617 6.407 -2.000 1.00 43.32 N ATOM 709 CA VAL A 48 -2.832 6.058 -1.260 1.00 14.11 C ATOM 710 C VAL A 48 -3.619 7.347 -0.972 1.00 62.32 C ATOM 711 O VAL A 48 -3.103 8.276 -0.330 1.00 41.42 O ATOM 712 CB VAL A 48 -2.507 5.307 0.090 1.00 10.42 C ATOM 713 CG1 VAL A 48 -3.802 4.963 0.850 1.00 33.22 C ATOM 714 CG2 VAL A 48 -1.663 4.035 -0.166 1.00 35.12 C ATOM 0 H VAL A 48 -1.033 7.087 -1.513 1.00 43.32 H new ATOM 0 HA VAL A 48 -3.426 5.377 -1.869 1.00 14.11 H new ATOM 0 HB VAL A 48 -1.916 5.979 0.712 1.00 10.42 H new ATOM 0 HG11 VAL A 48 -3.554 4.446 1.777 1.00 33.22 H new ATOM 0 HG12 VAL A 48 -4.343 5.881 1.080 1.00 33.22 H new ATOM 0 HG13 VAL A 48 -4.427 4.319 0.231 1.00 33.22 H new ATOM 0 HG21 VAL A 48 -1.455 3.539 0.782 1.00 35.12 H new ATOM 0 HG22 VAL A 48 -2.215 3.357 -0.817 1.00 35.12 H new ATOM 0 HG23 VAL A 48 -0.723 4.312 -0.644 1.00 35.12 H new ATOM 724 N PHE A 49 -4.857 7.384 -1.464 1.00 72.43 N ATOM 725 CA PHE A 49 -5.761 8.533 -1.330 1.00 42.11 C ATOM 726 C PHE A 49 -6.762 8.277 -0.208 1.00 5.14 C ATOM 727 O PHE A 49 -7.195 7.128 -0.016 1.00 3.13 O ATOM 728 CB PHE A 49 -6.523 8.762 -2.655 1.00 71.31 C ATOM 729 CG PHE A 49 -5.617 9.038 -3.847 1.00 32.32 C ATOM 730 CD1 PHE A 49 -5.208 10.333 -4.129 1.00 13.20 C ATOM 731 CD2 PHE A 49 -5.165 8.005 -4.675 1.00 12.54 C ATOM 732 CE1 PHE A 49 -4.391 10.601 -5.194 1.00 11.45 C ATOM 733 CE2 PHE A 49 -4.339 8.274 -5.748 1.00 54.11 C ATOM 734 CZ PHE A 49 -3.950 9.574 -6.005 1.00 54.52 C ATOM 0 H PHE A 49 -5.270 6.604 -1.976 1.00 72.43 H new ATOM 0 HA PHE A 49 -5.172 9.419 -1.095 1.00 42.11 H new ATOM 0 HB2 PHE A 49 -7.132 7.884 -2.869 1.00 71.31 H new ATOM 0 HB3 PHE A 49 -7.207 9.601 -2.529 1.00 71.31 H new ATOM 0 HD1 PHE A 49 -5.540 11.144 -3.497 1.00 13.20 H new ATOM 0 HD2 PHE A 49 -5.465 6.987 -4.473 1.00 12.54 H new ATOM 0 HE1 PHE A 49 -4.091 11.618 -5.400 1.00 11.45 H new ATOM 0 HE2 PHE A 49 -3.998 7.471 -6.384 1.00 54.11 H new ATOM 0 HZ PHE A 49 -3.300 9.788 -6.841 1.00 54.52 H new ATOM 744 N ASP A 50 -7.141 9.370 0.489 1.00 30.14 N ATOM 745 CA ASP A 50 -8.150 9.365 1.565 1.00 62.12 C ATOM 746 C ASP A 50 -7.871 8.259 2.602 1.00 53.43 C ATOM 747 O ASP A 50 -8.613 7.295 2.672 1.00 33.12 O ATOM 748 CB ASP A 50 -9.594 9.224 0.979 1.00 73.55 C ATOM 749 CG ASP A 50 -10.000 10.394 0.067 1.00 35.43 C ATOM 750 OD1 ASP A 50 -9.670 10.375 -1.141 1.00 64.11 O ATOM 751 OD2 ASP A 50 -10.657 11.342 0.550 1.00 53.23 O ATOM 0 H ASP A 50 -6.747 10.295 0.315 1.00 30.14 H new ATOM 0 HA ASP A 50 -8.081 10.324 2.079 1.00 62.12 H new ATOM 0 HB2 ASP A 50 -9.660 8.294 0.415 1.00 73.55 H new ATOM 0 HB3 ASP A 50 -10.306 9.150 1.801 1.00 73.55 H new ATOM 756 N GLN A 51 -6.775 8.401 3.367 1.00 0.32 N ATOM 757 CA GLN A 51 -6.309 7.386 4.349 1.00 54.04 C ATOM 758 C GLN A 51 -7.431 6.892 5.305 1.00 20.32 C ATOM 759 O GLN A 51 -7.463 5.715 5.662 1.00 23.35 O ATOM 760 CB GLN A 51 -5.082 7.931 5.147 1.00 42.55 C ATOM 761 CG GLN A 51 -3.741 7.931 4.358 1.00 21.44 C ATOM 762 CD GLN A 51 -3.142 6.529 4.099 1.00 22.00 C ATOM 763 OE1 GLN A 51 -3.849 5.539 3.952 1.00 54.51 O ATOM 764 NE2 GLN A 51 -1.822 6.439 4.049 1.00 71.13 N ATOM 0 H GLN A 51 -6.178 9.227 3.327 1.00 0.32 H new ATOM 0 HA GLN A 51 -6.003 6.510 3.777 1.00 54.04 H new ATOM 0 HB2 GLN A 51 -5.299 8.950 5.469 1.00 42.55 H new ATOM 0 HB3 GLN A 51 -4.957 7.332 6.049 1.00 42.55 H new ATOM 0 HG2 GLN A 51 -3.899 8.426 3.400 1.00 21.44 H new ATOM 0 HG3 GLN A 51 -3.012 8.526 4.908 1.00 21.44 H new ATOM 0 HE21 GLN A 51 -1.249 7.274 4.173 1.00 71.13 H new ATOM 0 HE22 GLN A 51 -1.378 5.535 3.886 1.00 71.13 H new ATOM 773 N GLY A 52 -8.355 7.795 5.674 1.00 43.02 N ATOM 774 CA GLY A 52 -9.511 7.445 6.499 1.00 74.12 C ATOM 775 C GLY A 52 -10.504 6.535 5.761 1.00 5.13 C ATOM 776 O GLY A 52 -10.899 5.495 6.297 1.00 3.52 O ATOM 0 H GLY A 52 -8.318 8.779 5.409 1.00 43.02 H new ATOM 0 HA2 GLY A 52 -9.169 6.945 7.405 1.00 74.12 H new ATOM 0 HA3 GLY A 52 -10.021 8.357 6.811 1.00 74.12 H new ATOM 780 N GLN A 53 -10.893 6.922 4.524 1.00 3.15 N ATOM 781 CA GLN A 53 -11.909 6.191 3.722 1.00 52.43 C ATOM 782 C GLN A 53 -11.355 4.829 3.259 1.00 4.33 C ATOM 783 O GLN A 53 -12.037 3.800 3.336 1.00 0.41 O ATOM 784 CB GLN A 53 -12.325 7.043 2.493 1.00 51.15 C ATOM 785 CG GLN A 53 -13.473 6.454 1.642 1.00 61.23 C ATOM 786 CD GLN A 53 -14.804 6.363 2.395 1.00 1.34 C ATOM 787 OE1 GLN A 53 -15.102 7.176 3.268 1.00 22.31 O ATOM 788 NE2 GLN A 53 -15.617 5.380 2.065 1.00 75.40 N ATOM 0 H GLN A 53 -10.516 7.745 4.054 1.00 3.15 H new ATOM 0 HA GLN A 53 -12.785 6.013 4.346 1.00 52.43 H new ATOM 0 HB2 GLN A 53 -12.623 8.032 2.841 1.00 51.15 H new ATOM 0 HB3 GLN A 53 -11.453 7.179 1.853 1.00 51.15 H new ATOM 0 HG2 GLN A 53 -13.609 7.069 0.753 1.00 61.23 H new ATOM 0 HG3 GLN A 53 -13.188 5.459 1.301 1.00 61.23 H new ATOM 0 HE21 GLN A 53 -15.348 4.718 1.337 1.00 75.40 H new ATOM 0 HE22 GLN A 53 -16.516 5.281 2.537 1.00 75.40 H new ATOM 797 N PHE A 54 -10.112 4.877 2.761 1.00 35.23 N ATOM 798 CA PHE A 54 -9.298 3.714 2.382 1.00 72.25 C ATOM 799 C PHE A 54 -9.223 2.695 3.530 1.00 2.44 C ATOM 800 O PHE A 54 -9.504 1.509 3.337 1.00 42.10 O ATOM 801 CB PHE A 54 -7.876 4.218 1.983 1.00 3.31 C ATOM 802 CG PHE A 54 -6.826 3.137 1.733 1.00 61.14 C ATOM 803 CD1 PHE A 54 -6.691 2.542 0.481 1.00 31.33 C ATOM 804 CD2 PHE A 54 -5.966 2.721 2.755 1.00 42.33 C ATOM 805 CE1 PHE A 54 -5.733 1.569 0.264 1.00 64.42 C ATOM 806 CE2 PHE A 54 -5.017 1.751 2.530 1.00 41.03 C ATOM 807 CZ PHE A 54 -4.902 1.173 1.287 1.00 42.20 C ATOM 0 H PHE A 54 -9.627 5.761 2.605 1.00 35.23 H new ATOM 0 HA PHE A 54 -9.757 3.204 1.535 1.00 72.25 H new ATOM 0 HB2 PHE A 54 -7.967 4.823 1.081 1.00 3.31 H new ATOM 0 HB3 PHE A 54 -7.511 4.875 2.772 1.00 3.31 H new ATOM 0 HD1 PHE A 54 -7.340 2.843 -0.328 1.00 31.33 H new ATOM 0 HD2 PHE A 54 -6.048 3.168 3.735 1.00 42.33 H new ATOM 0 HE1 PHE A 54 -5.636 1.118 -0.712 1.00 64.42 H new ATOM 0 HE2 PHE A 54 -4.361 1.443 3.331 1.00 41.03 H new ATOM 0 HZ PHE A 54 -4.159 0.408 1.114 1.00 42.20 H new ATOM 817 N ALA A 55 -8.855 3.171 4.725 1.00 44.31 N ATOM 818 CA ALA A 55 -8.749 2.300 5.902 1.00 23.23 C ATOM 819 C ALA A 55 -10.103 1.657 6.253 1.00 63.21 C ATOM 820 O ALA A 55 -10.169 0.490 6.624 1.00 43.24 O ATOM 821 CB ALA A 55 -8.174 3.063 7.103 1.00 74.44 C ATOM 0 H ALA A 55 -8.627 4.149 4.903 1.00 44.31 H new ATOM 0 HA ALA A 55 -8.058 1.495 5.652 1.00 23.23 H new ATOM 0 HB1 ALA A 55 -8.107 2.394 7.961 1.00 74.44 H new ATOM 0 HB2 ALA A 55 -7.180 3.436 6.855 1.00 74.44 H new ATOM 0 HB3 ALA A 55 -8.826 3.901 7.347 1.00 74.44 H new ATOM 827 N LYS A 56 -11.172 2.436 6.061 1.00 71.02 N ATOM 828 CA LYS A 56 -12.545 2.070 6.430 1.00 50.41 C ATOM 829 C LYS A 56 -13.115 0.912 5.579 1.00 10.21 C ATOM 830 O LYS A 56 -13.628 -0.060 6.141 1.00 3.02 O ATOM 831 CB LYS A 56 -13.432 3.353 6.355 1.00 72.34 C ATOM 832 CG LYS A 56 -14.966 3.128 6.396 1.00 31.32 C ATOM 833 CD LYS A 56 -15.633 3.241 5.000 1.00 44.24 C ATOM 834 CE LYS A 56 -17.117 2.841 5.014 1.00 63.25 C ATOM 835 NZ LYS A 56 -17.923 3.686 5.940 1.00 65.10 N ATOM 0 H LYS A 56 -11.106 3.360 5.635 1.00 71.02 H new ATOM 0 HA LYS A 56 -12.543 1.684 7.449 1.00 50.41 H new ATOM 0 HB2 LYS A 56 -13.159 4.007 7.183 1.00 72.34 H new ATOM 0 HB3 LYS A 56 -13.188 3.885 5.435 1.00 72.34 H new ATOM 0 HG2 LYS A 56 -15.172 2.142 6.812 1.00 31.32 H new ATOM 0 HG3 LYS A 56 -15.417 3.858 7.068 1.00 31.32 H new ATOM 0 HD2 LYS A 56 -15.541 4.266 4.641 1.00 44.24 H new ATOM 0 HD3 LYS A 56 -15.097 2.606 4.294 1.00 44.24 H new ATOM 0 HE2 LYS A 56 -17.522 2.923 4.006 1.00 63.25 H new ATOM 0 HE3 LYS A 56 -17.206 1.796 5.309 1.00 63.25 H new ATOM 0 HZ1 LYS A 56 -18.916 3.378 5.915 1.00 65.10 H new ATOM 0 HZ2 LYS A 56 -17.555 3.589 6.908 1.00 65.10 H new ATOM 0 HZ3 LYS A 56 -17.861 4.681 5.644 1.00 65.10 H new ATOM 849 N GLU A 57 -13.067 1.030 4.238 1.00 52.45 N ATOM 850 CA GLU A 57 -13.717 0.041 3.329 1.00 13.45 C ATOM 851 C GLU A 57 -12.714 -0.889 2.607 1.00 60.10 C ATOM 852 O GLU A 57 -13.005 -2.066 2.388 1.00 35.12 O ATOM 853 CB GLU A 57 -14.610 0.773 2.289 1.00 60.14 C ATOM 854 CG GLU A 57 -13.864 1.774 1.376 1.00 73.20 C ATOM 855 CD GLU A 57 -14.657 2.145 0.119 1.00 22.31 C ATOM 856 OE1 GLU A 57 -14.664 1.345 -0.833 1.00 65.14 O ATOM 857 OE2 GLU A 57 -15.294 3.214 0.080 1.00 15.51 O ATOM 0 H GLU A 57 -12.591 1.791 3.754 1.00 52.45 H new ATOM 0 HA GLU A 57 -14.330 -0.600 3.963 1.00 13.45 H new ATOM 0 HB2 GLU A 57 -15.098 0.027 1.662 1.00 60.14 H new ATOM 0 HB3 GLU A 57 -15.398 1.307 2.821 1.00 60.14 H new ATOM 0 HG2 GLU A 57 -13.646 2.680 1.942 1.00 73.20 H new ATOM 0 HG3 GLU A 57 -12.907 1.344 1.081 1.00 73.20 H new ATOM 864 N VAL A 58 -11.534 -0.365 2.281 1.00 4.40 N ATOM 865 CA VAL A 58 -10.561 -1.039 1.396 1.00 33.42 C ATOM 866 C VAL A 58 -9.702 -2.066 2.175 1.00 0.21 C ATOM 867 O VAL A 58 -9.422 -3.176 1.670 1.00 23.14 O ATOM 868 CB VAL A 58 -9.657 0.041 0.702 1.00 42.01 C ATOM 869 CG1 VAL A 58 -8.561 -0.598 -0.135 1.00 51.52 C ATOM 870 CG2 VAL A 58 -10.506 1.017 -0.148 1.00 55.24 C ATOM 0 H VAL A 58 -11.216 0.543 2.620 1.00 4.40 H new ATOM 0 HA VAL A 58 -11.107 -1.595 0.633 1.00 33.42 H new ATOM 0 HB VAL A 58 -9.173 0.615 1.492 1.00 42.01 H new ATOM 0 HG11 VAL A 58 -7.957 0.181 -0.599 1.00 51.52 H new ATOM 0 HG12 VAL A 58 -7.929 -1.216 0.503 1.00 51.52 H new ATOM 0 HG13 VAL A 58 -9.010 -1.219 -0.910 1.00 51.52 H new ATOM 0 HG21 VAL A 58 -9.853 1.754 -0.617 1.00 55.24 H new ATOM 0 HG22 VAL A 58 -11.037 0.460 -0.920 1.00 55.24 H new ATOM 0 HG23 VAL A 58 -11.226 1.526 0.493 1.00 55.24 H new ATOM 880 N LEU A 59 -9.289 -1.703 3.410 1.00 74.11 N ATOM 881 CA LEU A 59 -8.516 -2.618 4.275 1.00 1.43 C ATOM 882 C LEU A 59 -9.341 -3.878 4.667 1.00 1.35 C ATOM 883 O LEU A 59 -8.837 -4.970 4.499 1.00 52.01 O ATOM 884 CB LEU A 59 -7.931 -1.916 5.535 1.00 72.12 C ATOM 885 CG LEU A 59 -6.865 -0.808 5.288 1.00 72.20 C ATOM 886 CD1 LEU A 59 -6.279 -0.310 6.624 1.00 75.25 C ATOM 887 CD2 LEU A 59 -5.758 -1.289 4.321 1.00 72.51 C ATOM 0 H LEU A 59 -9.477 -0.791 3.826 1.00 74.11 H new ATOM 0 HA LEU A 59 -7.665 -2.945 3.677 1.00 1.43 H new ATOM 0 HB2 LEU A 59 -8.757 -1.475 6.093 1.00 72.12 H new ATOM 0 HB3 LEU A 59 -7.487 -2.679 6.174 1.00 72.12 H new ATOM 0 HG LEU A 59 -7.361 0.035 4.806 1.00 72.20 H new ATOM 0 HD11 LEU A 59 -5.536 0.464 6.430 1.00 75.25 H new ATOM 0 HD12 LEU A 59 -7.078 0.101 7.241 1.00 75.25 H new ATOM 0 HD13 LEU A 59 -5.808 -1.142 7.147 1.00 75.25 H new ATOM 0 HD21 LEU A 59 -5.032 -0.490 4.172 1.00 72.51 H new ATOM 0 HD22 LEU A 59 -5.257 -2.159 4.745 1.00 72.51 H new ATOM 0 HD23 LEU A 59 -6.203 -1.558 3.363 1.00 72.51 H new ATOM 899 N PRO A 60 -10.617 -3.784 5.188 1.00 74.54 N ATOM 900 CA PRO A 60 -11.428 -5.003 5.495 1.00 10.32 C ATOM 901 C PRO A 60 -11.842 -5.792 4.224 1.00 74.04 C ATOM 902 O PRO A 60 -12.299 -6.939 4.331 1.00 1.24 O ATOM 903 CB PRO A 60 -12.649 -4.443 6.276 1.00 32.52 C ATOM 904 CG PRO A 60 -12.767 -3.021 5.818 1.00 51.23 C ATOM 905 CD PRO A 60 -11.352 -2.547 5.565 1.00 33.11 C ATOM 0 HA PRO A 60 -10.865 -5.738 6.070 1.00 10.32 H new ATOM 0 HB2 PRO A 60 -13.555 -5.008 6.055 1.00 32.52 H new ATOM 0 HB3 PRO A 60 -12.492 -4.501 7.353 1.00 32.52 H new ATOM 0 HG2 PRO A 60 -13.370 -2.951 4.913 1.00 51.23 H new ATOM 0 HG3 PRO A 60 -13.255 -2.406 6.574 1.00 51.23 H new ATOM 0 HD2 PRO A 60 -11.317 -1.804 4.768 1.00 33.11 H new ATOM 0 HD3 PRO A 60 -10.922 -2.083 6.453 1.00 33.11 H new ATOM 913 N LYS A 61 -11.682 -5.170 3.030 1.00 23.31 N ATOM 914 CA LYS A 61 -11.889 -5.849 1.735 1.00 24.54 C ATOM 915 C LYS A 61 -10.760 -6.874 1.473 1.00 50.22 C ATOM 916 O LYS A 61 -11.035 -8.052 1.209 1.00 24.44 O ATOM 917 CB LYS A 61 -11.954 -4.811 0.575 1.00 53.41 C ATOM 918 CG LYS A 61 -12.214 -5.422 -0.826 1.00 13.02 C ATOM 919 CD LYS A 61 -12.179 -4.375 -1.974 1.00 62.11 C ATOM 920 CE LYS A 61 -12.365 -5.021 -3.366 1.00 31.41 C ATOM 921 NZ LYS A 61 -12.159 -4.058 -4.488 1.00 72.24 N ATOM 0 H LYS A 61 -11.408 -4.191 2.942 1.00 23.31 H new ATOM 0 HA LYS A 61 -12.839 -6.381 1.777 1.00 24.54 H new ATOM 0 HB2 LYS A 61 -12.742 -4.090 0.794 1.00 53.41 H new ATOM 0 HB3 LYS A 61 -11.015 -4.258 0.547 1.00 53.41 H new ATOM 0 HG2 LYS A 61 -11.467 -6.191 -1.023 1.00 13.02 H new ATOM 0 HG3 LYS A 61 -13.186 -5.915 -0.824 1.00 13.02 H new ATOM 0 HD2 LYS A 61 -12.963 -3.636 -1.812 1.00 62.11 H new ATOM 0 HD3 LYS A 61 -11.228 -3.842 -1.948 1.00 62.11 H new ATOM 0 HE2 LYS A 61 -11.665 -5.850 -3.472 1.00 31.41 H new ATOM 0 HE3 LYS A 61 -13.369 -5.441 -3.434 1.00 31.41 H new ATOM 0 HZ1 LYS A 61 -12.626 -4.418 -5.345 1.00 72.24 H new ATOM 0 HZ2 LYS A 61 -12.567 -3.136 -4.233 1.00 72.24 H new ATOM 0 HZ3 LYS A 61 -11.141 -3.948 -4.669 1.00 72.24 H new ATOM 935 N TYR A 62 -9.493 -6.412 1.528 1.00 43.44 N ATOM 936 CA TYR A 62 -8.311 -7.281 1.261 1.00 21.45 C ATOM 937 C TYR A 62 -7.796 -7.954 2.534 1.00 24.02 C ATOM 938 O TYR A 62 -7.637 -9.177 2.590 1.00 44.11 O ATOM 939 CB TYR A 62 -7.177 -6.480 0.563 1.00 35.33 C ATOM 940 CG TYR A 62 -7.435 -6.326 -0.929 1.00 62.12 C ATOM 941 CD1 TYR A 62 -8.393 -5.431 -1.400 1.00 34.20 C ATOM 942 CD2 TYR A 62 -6.773 -7.127 -1.856 1.00 41.13 C ATOM 943 CE1 TYR A 62 -8.673 -5.330 -2.740 1.00 13.22 C ATOM 944 CE2 TYR A 62 -7.059 -7.039 -3.198 1.00 42.20 C ATOM 945 CZ TYR A 62 -8.008 -6.138 -3.637 1.00 74.02 C ATOM 946 OH TYR A 62 -8.304 -6.066 -4.974 1.00 24.45 O ATOM 0 H TYR A 62 -9.255 -5.446 1.754 1.00 43.44 H new ATOM 0 HA TYR A 62 -8.640 -8.071 0.586 1.00 21.45 H new ATOM 0 HB2 TYR A 62 -7.092 -5.495 1.021 1.00 35.33 H new ATOM 0 HB3 TYR A 62 -6.225 -6.987 0.718 1.00 35.33 H new ATOM 0 HD1 TYR A 62 -8.925 -4.805 -0.698 1.00 34.20 H new ATOM 0 HD2 TYR A 62 -6.024 -7.827 -1.516 1.00 41.13 H new ATOM 0 HE1 TYR A 62 -9.410 -4.622 -3.089 1.00 13.22 H new ATOM 0 HE2 TYR A 62 -6.544 -7.672 -3.905 1.00 42.20 H new ATOM 0 HH TYR A 62 -7.744 -6.701 -5.468 1.00 24.45 H new ATOM 956 N PHE A 63 -7.549 -7.138 3.543 1.00 11.33 N ATOM 957 CA PHE A 63 -7.044 -7.582 4.851 1.00 11.14 C ATOM 958 C PHE A 63 -8.246 -7.957 5.749 1.00 53.44 C ATOM 959 O PHE A 63 -9.390 -8.004 5.271 1.00 53.13 O ATOM 960 CB PHE A 63 -6.185 -6.436 5.465 1.00 52.44 C ATOM 961 CG PHE A 63 -5.066 -5.944 4.541 1.00 21.03 C ATOM 962 CD1 PHE A 63 -3.816 -6.559 4.537 1.00 53.22 C ATOM 963 CD2 PHE A 63 -5.274 -4.876 3.662 1.00 3.45 C ATOM 964 CE1 PHE A 63 -2.817 -6.121 3.689 1.00 33.03 C ATOM 965 CE2 PHE A 63 -4.270 -4.442 2.814 1.00 50.44 C ATOM 966 CZ PHE A 63 -3.042 -5.064 2.829 1.00 1.42 C ATOM 0 H PHE A 63 -7.693 -6.130 3.486 1.00 11.33 H new ATOM 0 HA PHE A 63 -6.412 -8.465 4.756 1.00 11.14 H new ATOM 0 HB2 PHE A 63 -6.836 -5.597 5.711 1.00 52.44 H new ATOM 0 HB3 PHE A 63 -5.746 -6.784 6.400 1.00 52.44 H new ATOM 0 HD1 PHE A 63 -3.626 -7.387 5.204 1.00 53.22 H new ATOM 0 HD2 PHE A 63 -6.234 -4.382 3.645 1.00 3.45 H new ATOM 0 HE1 PHE A 63 -1.853 -6.609 3.699 1.00 33.03 H new ATOM 0 HE2 PHE A 63 -4.450 -3.616 2.141 1.00 50.44 H new ATOM 0 HZ PHE A 63 -2.256 -4.726 2.170 1.00 1.42 H new ATOM 976 N LYS A 64 -8.004 -8.227 7.040 1.00 44.24 N ATOM 977 CA LYS A 64 -9.073 -8.593 7.997 1.00 73.44 C ATOM 978 C LYS A 64 -9.067 -7.612 9.184 1.00 21.04 C ATOM 979 O LYS A 64 -9.213 -8.001 10.348 1.00 23.23 O ATOM 980 CB LYS A 64 -8.912 -10.082 8.433 1.00 54.42 C ATOM 981 CG LYS A 64 -7.506 -10.467 8.952 1.00 74.32 C ATOM 982 CD LYS A 64 -7.396 -11.962 9.351 1.00 42.52 C ATOM 983 CE LYS A 64 -8.249 -12.330 10.576 1.00 73.43 C ATOM 984 NZ LYS A 64 -7.799 -11.620 11.807 1.00 60.03 N ATOM 0 H LYS A 64 -7.072 -8.200 7.453 1.00 44.24 H new ATOM 0 HA LYS A 64 -10.050 -8.510 7.521 1.00 73.44 H new ATOM 0 HB2 LYS A 64 -9.642 -10.296 9.214 1.00 54.42 H new ATOM 0 HB3 LYS A 64 -9.156 -10.721 7.584 1.00 54.42 H new ATOM 0 HG2 LYS A 64 -6.767 -10.247 8.181 1.00 74.32 H new ATOM 0 HG3 LYS A 64 -7.261 -9.847 9.815 1.00 74.32 H new ATOM 0 HD2 LYS A 64 -7.701 -12.580 8.506 1.00 42.52 H new ATOM 0 HD3 LYS A 64 -6.353 -12.199 9.559 1.00 42.52 H new ATOM 0 HE2 LYS A 64 -9.292 -12.085 10.378 1.00 73.43 H new ATOM 0 HE3 LYS A 64 -8.200 -13.406 10.741 1.00 73.43 H new ATOM 0 HZ1 LYS A 64 -8.322 -11.985 12.629 1.00 60.03 H new ATOM 0 HZ2 LYS A 64 -6.781 -11.778 11.946 1.00 60.03 H new ATOM 0 HZ3 LYS A 64 -7.980 -10.601 11.706 1.00 60.03 H new ATOM 998 N HIS A 65 -8.957 -6.316 8.844 1.00 30.13 N ATOM 999 CA HIS A 65 -8.972 -5.192 9.803 1.00 64.35 C ATOM 1000 C HIS A 65 -9.298 -3.904 9.034 1.00 41.51 C ATOM 1001 O HIS A 65 -9.178 -3.876 7.810 1.00 21.50 O ATOM 1002 CB HIS A 65 -7.606 -5.033 10.549 1.00 13.33 C ATOM 1003 CG HIS A 65 -6.450 -4.580 9.673 1.00 0.54 C ATOM 1004 ND1 HIS A 65 -5.939 -3.291 9.683 1.00 61.30 N ATOM 1005 CD2 HIS A 65 -5.695 -5.259 8.774 1.00 2.31 C ATOM 1006 CE1 HIS A 65 -4.933 -3.211 8.834 1.00 2.20 C ATOM 1007 NE2 HIS A 65 -4.763 -4.385 8.271 1.00 64.43 N ATOM 0 H HIS A 65 -8.853 -6.012 7.876 1.00 30.13 H new ATOM 0 HA HIS A 65 -9.728 -5.395 10.562 1.00 64.35 H new ATOM 0 HB2 HIS A 65 -7.732 -4.315 11.359 1.00 13.33 H new ATOM 0 HB3 HIS A 65 -7.345 -5.987 11.006 1.00 13.33 H new ATOM 0 HD2 HIS A 65 -5.807 -6.298 8.503 1.00 2.31 H new ATOM 0 HE1 HIS A 65 -4.346 -2.326 8.635 1.00 2.20 H new ATOM 0 HE2 HIS A 65 -4.054 -4.611 7.573 1.00 64.43 H new ATOM 1016 N ASN A 66 -9.650 -2.832 9.756 1.00 53.52 N ATOM 1017 CA ASN A 66 -9.881 -1.497 9.144 1.00 63.44 C ATOM 1018 C ASN A 66 -8.952 -0.442 9.778 1.00 72.35 C ATOM 1019 O ASN A 66 -8.879 0.692 9.299 1.00 3.12 O ATOM 1020 CB ASN A 66 -11.376 -1.059 9.244 1.00 63.21 C ATOM 1021 CG ASN A 66 -11.796 -0.537 10.623 1.00 41.32 C ATOM 1022 OD1 ASN A 66 -11.739 0.666 10.897 1.00 71.03 O ATOM 1023 ND2 ASN A 66 -12.214 -1.425 11.499 1.00 73.10 N ATOM 0 H ASN A 66 -9.784 -2.853 10.767 1.00 53.52 H new ATOM 0 HA ASN A 66 -9.642 -1.577 8.084 1.00 63.44 H new ATOM 0 HB2 ASN A 66 -11.564 -0.282 8.503 1.00 63.21 H new ATOM 0 HB3 ASN A 66 -12.008 -1.908 8.983 1.00 63.21 H new ATOM 0 HD21 ASN A 66 -12.501 -1.126 12.431 1.00 73.10 H new ATOM 0 HD22 ASN A 66 -12.251 -2.412 11.246 1.00 73.10 H new ATOM 1030 N ASN A 67 -8.240 -0.841 10.856 1.00 14.54 N ATOM 1031 CA ASN A 67 -7.336 0.043 11.630 1.00 74.41 C ATOM 1032 C ASN A 67 -6.199 0.575 10.734 1.00 1.11 C ATOM 1033 O ASN A 67 -5.377 -0.208 10.230 1.00 10.41 O ATOM 1034 CB ASN A 67 -6.776 -0.735 12.853 1.00 61.41 C ATOM 1035 CG ASN A 67 -5.967 0.111 13.861 1.00 12.24 C ATOM 1036 OD1 ASN A 67 -5.271 1.063 13.507 1.00 34.42 O ATOM 1037 ND2 ASN A 67 -6.051 -0.239 15.136 1.00 40.20 N ATOM 0 H ASN A 67 -8.276 -1.794 11.217 1.00 14.54 H new ATOM 0 HA ASN A 67 -7.895 0.905 11.992 1.00 74.41 H new ATOM 0 HB2 ASN A 67 -7.610 -1.199 13.380 1.00 61.41 H new ATOM 0 HB3 ASN A 67 -6.140 -1.542 12.489 1.00 61.41 H new ATOM 0 HD21 ASN A 67 -5.534 0.283 15.843 1.00 40.20 H new ATOM 0 HD22 ASN A 67 -6.633 -1.031 15.410 1.00 40.20 H new ATOM 1044 N MET A 68 -6.197 1.912 10.547 1.00 42.11 N ATOM 1045 CA MET A 68 -5.210 2.657 9.741 1.00 1.11 C ATOM 1046 C MET A 68 -3.785 2.506 10.303 1.00 15.12 C ATOM 1047 O MET A 68 -2.851 2.175 9.562 1.00 2.10 O ATOM 1048 CB MET A 68 -5.602 4.166 9.709 1.00 71.23 C ATOM 1049 CG MET A 68 -4.676 5.103 8.892 1.00 23.10 C ATOM 1050 SD MET A 68 -4.979 5.081 7.105 1.00 64.14 S ATOM 1051 CE MET A 68 -4.150 3.604 6.514 1.00 2.32 C ATOM 0 H MET A 68 -6.902 2.519 10.965 1.00 42.11 H new ATOM 0 HA MET A 68 -5.217 2.244 8.732 1.00 1.11 H new ATOM 0 HB2 MET A 68 -6.612 4.248 9.306 1.00 71.23 H new ATOM 0 HB3 MET A 68 -5.638 4.531 10.735 1.00 71.23 H new ATOM 0 HG2 MET A 68 -4.798 6.123 9.257 1.00 23.10 H new ATOM 0 HG3 MET A 68 -3.639 4.821 9.076 1.00 23.10 H new ATOM 0 HE1 MET A 68 -3.402 3.879 5.770 1.00 2.32 H new ATOM 0 HE2 MET A 68 -3.663 3.101 7.349 1.00 2.32 H new ATOM 0 HE3 MET A 68 -4.881 2.933 6.063 1.00 2.32 H new ATOM 1061 N ALA A 69 -3.651 2.743 11.626 1.00 72.22 N ATOM 1062 CA ALA A 69 -2.365 2.678 12.347 1.00 72.30 C ATOM 1063 C ALA A 69 -1.704 1.295 12.215 1.00 64.23 C ATOM 1064 O ALA A 69 -0.478 1.200 12.141 1.00 60.43 O ATOM 1065 CB ALA A 69 -2.566 3.042 13.832 1.00 72.13 C ATOM 0 H ALA A 69 -4.439 2.986 12.226 1.00 72.22 H new ATOM 0 HA ALA A 69 -1.693 3.405 11.891 1.00 72.30 H new ATOM 0 HB1 ALA A 69 -1.609 2.990 14.352 1.00 72.13 H new ATOM 0 HB2 ALA A 69 -2.966 4.053 13.908 1.00 72.13 H new ATOM 0 HB3 ALA A 69 -3.265 2.340 14.287 1.00 72.13 H new ATOM 1071 N SER A 70 -2.537 0.234 12.186 1.00 51.21 N ATOM 1072 CA SER A 70 -2.083 -1.161 12.010 1.00 10.11 C ATOM 1073 C SER A 70 -1.449 -1.378 10.620 1.00 64.42 C ATOM 1074 O SER A 70 -0.392 -2.010 10.506 1.00 21.02 O ATOM 1075 CB SER A 70 -3.271 -2.126 12.221 1.00 14.24 C ATOM 1076 OG SER A 70 -2.881 -3.487 12.132 1.00 64.40 O ATOM 0 H SER A 70 -3.548 0.322 12.285 1.00 51.21 H new ATOM 0 HA SER A 70 -1.315 -1.368 12.755 1.00 10.11 H new ATOM 0 HB2 SER A 70 -3.717 -1.941 13.198 1.00 14.24 H new ATOM 0 HB3 SER A 70 -4.040 -1.921 11.476 1.00 14.24 H new ATOM 0 HG SER A 70 -3.663 -4.061 12.273 1.00 64.40 H new ATOM 1082 N PHE A 71 -2.095 -0.813 9.577 1.00 41.03 N ATOM 1083 CA PHE A 71 -1.643 -0.921 8.171 1.00 53.23 C ATOM 1084 C PHE A 71 -0.283 -0.221 7.982 1.00 2.00 C ATOM 1085 O PHE A 71 0.660 -0.811 7.440 1.00 31.05 O ATOM 1086 CB PHE A 71 -2.714 -0.300 7.237 1.00 21.34 C ATOM 1087 CG PHE A 71 -2.364 -0.272 5.744 1.00 13.40 C ATOM 1088 CD1 PHE A 71 -2.272 -1.451 5.006 1.00 33.23 C ATOM 1089 CD2 PHE A 71 -2.159 0.938 5.070 1.00 12.45 C ATOM 1090 CE1 PHE A 71 -1.985 -1.424 3.651 1.00 12.32 C ATOM 1091 CE2 PHE A 71 -1.867 0.960 3.716 1.00 32.22 C ATOM 1092 CZ PHE A 71 -1.782 -0.221 3.008 1.00 4.30 C ATOM 0 H PHE A 71 -2.949 -0.266 9.686 1.00 41.03 H new ATOM 0 HA PHE A 71 -1.514 -1.973 7.916 1.00 53.23 H new ATOM 0 HB2 PHE A 71 -3.644 -0.855 7.362 1.00 21.34 H new ATOM 0 HB3 PHE A 71 -2.906 0.722 7.565 1.00 21.34 H new ATOM 0 HD1 PHE A 71 -2.427 -2.400 5.498 1.00 33.23 H new ATOM 0 HD2 PHE A 71 -2.230 1.868 5.614 1.00 12.45 H new ATOM 0 HE1 PHE A 71 -1.920 -2.348 3.096 1.00 12.32 H new ATOM 0 HE2 PHE A 71 -1.706 1.903 3.214 1.00 32.22 H new ATOM 0 HZ PHE A 71 -1.557 -0.203 1.952 1.00 4.30 H new ATOM 1102 N VAL A 72 -0.208 1.034 8.461 1.00 25.55 N ATOM 1103 CA VAL A 72 1.013 1.857 8.405 1.00 50.44 C ATOM 1104 C VAL A 72 2.158 1.216 9.233 1.00 42.33 C ATOM 1105 O VAL A 72 3.310 1.218 8.785 1.00 64.21 O ATOM 1106 CB VAL A 72 0.721 3.326 8.889 1.00 43.44 C ATOM 1107 CG1 VAL A 72 1.982 4.215 8.819 1.00 3.14 C ATOM 1108 CG2 VAL A 72 -0.445 3.953 8.074 1.00 54.45 C ATOM 0 H VAL A 72 -0.997 1.508 8.900 1.00 25.55 H new ATOM 0 HA VAL A 72 1.339 1.902 7.366 1.00 50.44 H new ATOM 0 HB VAL A 72 0.420 3.272 9.935 1.00 43.44 H new ATOM 0 HG11 VAL A 72 1.738 5.221 9.161 1.00 3.14 H new ATOM 0 HG12 VAL A 72 2.760 3.794 9.456 1.00 3.14 H new ATOM 0 HG13 VAL A 72 2.340 4.259 7.790 1.00 3.14 H new ATOM 0 HG21 VAL A 72 -0.630 4.968 8.425 1.00 54.45 H new ATOM 0 HG22 VAL A 72 -0.178 3.977 7.017 1.00 54.45 H new ATOM 0 HG23 VAL A 72 -1.346 3.354 8.207 1.00 54.45 H new ATOM 1118 N ARG A 73 1.816 0.622 10.404 1.00 63.05 N ATOM 1119 CA ARG A 73 2.799 -0.067 11.280 1.00 34.40 C ATOM 1120 C ARG A 73 3.499 -1.209 10.525 1.00 52.45 C ATOM 1121 O ARG A 73 4.727 -1.336 10.598 1.00 35.35 O ATOM 1122 CB ARG A 73 2.129 -0.624 12.572 1.00 61.12 C ATOM 1123 CG ARG A 73 3.097 -1.382 13.527 1.00 21.13 C ATOM 1124 CD ARG A 73 2.416 -1.863 14.821 1.00 71.41 C ATOM 1125 NE ARG A 73 1.868 -0.753 15.617 1.00 11.33 N ATOM 1126 CZ ARG A 73 1.239 -0.876 16.807 1.00 53.52 C ATOM 1127 NH1 ARG A 73 1.061 -2.069 17.380 1.00 65.04 N ATOM 1128 NH2 ARG A 73 0.781 0.215 17.411 1.00 42.35 N ATOM 0 H ARG A 73 0.862 0.606 10.765 1.00 63.05 H new ATOM 0 HA ARG A 73 3.541 0.676 11.573 1.00 34.40 H new ATOM 0 HB2 ARG A 73 1.676 0.204 13.117 1.00 61.12 H new ATOM 0 HB3 ARG A 73 1.321 -1.297 12.286 1.00 61.12 H new ATOM 0 HG2 ARG A 73 3.516 -2.241 13.003 1.00 21.13 H new ATOM 0 HG3 ARG A 73 3.930 -0.728 13.784 1.00 21.13 H new ATOM 0 HD2 ARG A 73 1.613 -2.556 14.569 1.00 71.41 H new ATOM 0 HD3 ARG A 73 3.137 -2.416 15.423 1.00 71.41 H new ATOM 0 HE ARG A 73 1.972 0.189 15.239 1.00 11.33 H new ATOM 0 HH11 ARG A 73 1.403 -2.912 16.919 1.00 65.04 H new ATOM 0 HH12 ARG A 73 0.583 -2.137 18.279 1.00 65.04 H new ATOM 0 HH21 ARG A 73 0.906 1.129 16.976 1.00 42.35 H new ATOM 0 HH22 ARG A 73 0.304 0.138 18.309 1.00 42.35 H new ATOM 1142 N GLN A 74 2.698 -1.993 9.758 1.00 41.31 N ATOM 1143 CA GLN A 74 3.212 -3.101 8.934 1.00 74.10 C ATOM 1144 C GLN A 74 4.231 -2.565 7.914 1.00 4.33 C ATOM 1145 O GLN A 74 5.355 -3.060 7.842 1.00 75.02 O ATOM 1146 CB GLN A 74 2.067 -3.817 8.177 1.00 52.22 C ATOM 1147 CG GLN A 74 0.991 -4.489 9.047 1.00 30.42 C ATOM 1148 CD GLN A 74 1.527 -5.612 9.925 1.00 21.44 C ATOM 1149 OE1 GLN A 74 1.608 -6.765 9.493 1.00 0.24 O ATOM 1150 NE2 GLN A 74 1.856 -5.299 11.173 1.00 13.34 N ATOM 0 H GLN A 74 1.687 -1.871 9.698 1.00 41.31 H new ATOM 0 HA GLN A 74 3.691 -3.818 9.601 1.00 74.10 H new ATOM 0 HB2 GLN A 74 1.578 -3.090 7.529 1.00 52.22 H new ATOM 0 HB3 GLN A 74 2.507 -4.576 7.530 1.00 52.22 H new ATOM 0 HG2 GLN A 74 0.526 -3.734 9.681 1.00 30.42 H new ATOM 0 HG3 GLN A 74 0.210 -4.887 8.400 1.00 30.42 H new ATOM 0 HE21 GLN A 74 1.776 -4.334 11.495 1.00 13.34 H new ATOM 0 HE22 GLN A 74 2.189 -6.023 11.810 1.00 13.34 H new ATOM 1159 N LEU A 75 3.826 -1.499 7.190 1.00 22.00 N ATOM 1160 CA LEU A 75 4.630 -0.868 6.125 1.00 55.51 C ATOM 1161 C LEU A 75 6.012 -0.414 6.639 1.00 25.45 C ATOM 1162 O LEU A 75 7.020 -0.747 6.027 1.00 23.32 O ATOM 1163 CB LEU A 75 3.845 0.329 5.523 1.00 75.31 C ATOM 1164 CG LEU A 75 2.559 -0.059 4.723 1.00 72.12 C ATOM 1165 CD1 LEU A 75 1.593 1.121 4.614 1.00 51.31 C ATOM 1166 CD2 LEU A 75 2.907 -0.612 3.321 1.00 21.12 C ATOM 0 H LEU A 75 2.922 -1.049 7.331 1.00 22.00 H new ATOM 0 HA LEU A 75 4.810 -1.611 5.348 1.00 55.51 H new ATOM 0 HB2 LEU A 75 3.562 1.002 6.332 1.00 75.31 H new ATOM 0 HB3 LEU A 75 4.511 0.886 4.863 1.00 75.31 H new ATOM 0 HG LEU A 75 2.061 -0.852 5.281 1.00 72.12 H new ATOM 0 HD11 LEU A 75 0.710 0.817 4.052 1.00 51.31 H new ATOM 0 HD12 LEU A 75 1.296 1.441 5.613 1.00 51.31 H new ATOM 0 HD13 LEU A 75 2.084 1.947 4.099 1.00 51.31 H new ATOM 0 HD21 LEU A 75 1.989 -0.871 2.794 1.00 21.12 H new ATOM 0 HD22 LEU A 75 3.449 0.146 2.755 1.00 21.12 H new ATOM 0 HD23 LEU A 75 3.529 -1.501 3.425 1.00 21.12 H new ATOM 1178 N ASN A 76 6.041 0.297 7.792 1.00 61.53 N ATOM 1179 CA ASN A 76 7.307 0.778 8.410 1.00 62.35 C ATOM 1180 C ASN A 76 8.231 -0.390 8.824 1.00 30.54 C ATOM 1181 O ASN A 76 9.463 -0.239 8.816 1.00 65.40 O ATOM 1182 CB ASN A 76 7.055 1.710 9.629 1.00 71.22 C ATOM 1183 CG ASN A 76 6.406 3.047 9.250 1.00 43.33 C ATOM 1184 OD1 ASN A 76 7.079 3.980 8.816 1.00 21.14 O ATOM 1185 ND2 ASN A 76 5.114 3.172 9.450 1.00 41.13 N ATOM 0 H ASN A 76 5.203 0.552 8.315 1.00 61.53 H new ATOM 0 HA ASN A 76 7.810 1.360 7.638 1.00 62.35 H new ATOM 0 HB2 ASN A 76 6.415 1.194 10.345 1.00 71.22 H new ATOM 0 HB3 ASN A 76 8.003 1.904 10.131 1.00 71.22 H new ATOM 0 HD21 ASN A 76 4.649 4.056 9.244 1.00 41.13 H new ATOM 0 HD22 ASN A 76 4.575 2.385 9.811 1.00 41.13 H new ATOM 1192 N MET A 77 7.635 -1.552 9.180 1.00 75.50 N ATOM 1193 CA MET A 77 8.410 -2.786 9.453 1.00 43.42 C ATOM 1194 C MET A 77 9.018 -3.324 8.145 1.00 24.02 C ATOM 1195 O MET A 77 10.182 -3.719 8.117 1.00 30.13 O ATOM 1196 CB MET A 77 7.548 -3.893 10.124 1.00 41.55 C ATOM 1197 CG MET A 77 6.937 -3.511 11.474 1.00 63.01 C ATOM 1198 SD MET A 77 6.273 -4.935 12.370 1.00 32.42 S ATOM 1199 CE MET A 77 5.160 -5.681 11.171 1.00 63.50 C ATOM 0 H MET A 77 6.626 -1.661 9.285 1.00 75.50 H new ATOM 0 HA MET A 77 9.202 -2.520 10.153 1.00 43.42 H new ATOM 0 HB2 MET A 77 6.743 -4.167 9.443 1.00 41.55 H new ATOM 0 HB3 MET A 77 8.166 -4.780 10.261 1.00 41.55 H new ATOM 0 HG2 MET A 77 7.696 -3.024 12.086 1.00 63.01 H new ATOM 0 HG3 MET A 77 6.141 -2.784 11.315 1.00 63.01 H new ATOM 0 HE1 MET A 77 4.627 -6.511 11.636 1.00 63.50 H new ATOM 0 HE2 MET A 77 4.442 -4.936 10.828 1.00 63.50 H new ATOM 0 HE3 MET A 77 5.735 -6.050 10.321 1.00 63.50 H new ATOM 1209 N TYR A 78 8.235 -3.268 7.048 1.00 14.42 N ATOM 1210 CA TYR A 78 8.667 -3.768 5.722 1.00 3.21 C ATOM 1211 C TYR A 78 9.544 -2.724 4.988 1.00 31.32 C ATOM 1212 O TYR A 78 10.028 -2.991 3.886 1.00 41.40 O ATOM 1213 CB TYR A 78 7.439 -4.163 4.851 1.00 62.02 C ATOM 1214 CG TYR A 78 6.672 -5.416 5.319 1.00 52.03 C ATOM 1215 CD1 TYR A 78 7.196 -6.696 5.127 1.00 70.52 C ATOM 1216 CD2 TYR A 78 5.420 -5.321 5.930 1.00 42.40 C ATOM 1217 CE1 TYR A 78 6.499 -7.819 5.531 1.00 63.31 C ATOM 1218 CE2 TYR A 78 4.726 -6.440 6.338 1.00 63.51 C ATOM 1219 CZ TYR A 78 5.266 -7.681 6.138 1.00 10.22 C ATOM 1220 OH TYR A 78 4.568 -8.798 6.544 1.00 44.34 O ATOM 0 H TYR A 78 7.292 -2.879 7.053 1.00 14.42 H new ATOM 0 HA TYR A 78 9.272 -4.660 5.885 1.00 3.21 H new ATOM 0 HB2 TYR A 78 6.746 -3.322 4.827 1.00 62.02 H new ATOM 0 HB3 TYR A 78 7.778 -4.326 3.828 1.00 62.02 H new ATOM 0 HD1 TYR A 78 8.161 -6.810 4.655 1.00 70.52 H new ATOM 0 HD2 TYR A 78 4.984 -4.345 6.087 1.00 42.40 H new ATOM 0 HE1 TYR A 78 6.917 -8.802 5.372 1.00 63.31 H new ATOM 0 HE2 TYR A 78 3.761 -6.338 6.813 1.00 63.51 H new ATOM 0 HH TYR A 78 3.721 -8.524 6.953 1.00 44.34 H new ATOM 1230 N GLY A 79 9.734 -1.540 5.606 1.00 33.12 N ATOM 1231 CA GLY A 79 10.666 -0.521 5.110 1.00 71.24 C ATOM 1232 C GLY A 79 10.060 0.481 4.126 1.00 22.51 C ATOM 1233 O GLY A 79 10.803 1.122 3.376 1.00 32.43 O ATOM 0 H GLY A 79 9.245 -1.270 6.459 1.00 33.12 H new ATOM 0 HA2 GLY A 79 11.070 0.027 5.962 1.00 71.24 H new ATOM 0 HA3 GLY A 79 11.505 -1.021 4.626 1.00 71.24 H new ATOM 1237 N PHE A 80 8.729 0.627 4.115 1.00 74.22 N ATOM 1238 CA PHE A 80 8.040 1.609 3.253 1.00 15.41 C ATOM 1239 C PHE A 80 8.071 2.988 3.922 1.00 33.22 C ATOM 1240 O PHE A 80 7.808 3.095 5.126 1.00 73.04 O ATOM 1241 CB PHE A 80 6.575 1.184 2.987 1.00 41.12 C ATOM 1242 CG PHE A 80 6.430 -0.062 2.118 1.00 43.20 C ATOM 1243 CD1 PHE A 80 6.532 -1.342 2.668 1.00 25.20 C ATOM 1244 CD2 PHE A 80 6.186 0.045 0.751 1.00 22.11 C ATOM 1245 CE1 PHE A 80 6.392 -2.468 1.877 1.00 14.42 C ATOM 1246 CE2 PHE A 80 6.050 -1.081 -0.031 1.00 24.14 C ATOM 1247 CZ PHE A 80 6.152 -2.337 0.532 1.00 1.31 C ATOM 0 H PHE A 80 8.099 0.075 4.697 1.00 74.22 H new ATOM 0 HA PHE A 80 8.559 1.654 2.295 1.00 15.41 H new ATOM 0 HB2 PHE A 80 6.082 1.006 3.942 1.00 41.12 H new ATOM 0 HB3 PHE A 80 6.051 2.010 2.507 1.00 41.12 H new ATOM 0 HD1 PHE A 80 6.723 -1.454 3.725 1.00 25.20 H new ATOM 0 HD2 PHE A 80 6.102 1.022 0.299 1.00 22.11 H new ATOM 0 HE1 PHE A 80 6.472 -3.451 2.318 1.00 14.42 H new ATOM 0 HE2 PHE A 80 5.863 -0.980 -1.090 1.00 24.14 H new ATOM 0 HZ PHE A 80 6.043 -3.216 -0.086 1.00 1.31 H new ATOM 1257 N ARG A 81 8.393 4.031 3.144 1.00 65.44 N ATOM 1258 CA ARG A 81 8.475 5.411 3.645 1.00 3.23 C ATOM 1259 C ARG A 81 7.209 6.182 3.253 1.00 14.24 C ATOM 1260 O ARG A 81 6.844 6.204 2.077 1.00 32.31 O ATOM 1261 CB ARG A 81 9.725 6.125 3.061 1.00 0.02 C ATOM 1262 CG ARG A 81 9.905 7.603 3.508 1.00 62.11 C ATOM 1263 CD ARG A 81 11.121 8.295 2.863 1.00 41.13 C ATOM 1264 NE ARG A 81 12.385 7.593 3.148 1.00 71.03 N ATOM 1265 CZ ARG A 81 13.595 7.943 2.676 1.00 51.23 C ATOM 1266 NH1 ARG A 81 13.742 9.013 1.890 1.00 1.44 N ATOM 1267 NH2 ARG A 81 14.661 7.225 2.989 1.00 55.23 N ATOM 0 H ARG A 81 8.604 3.942 2.150 1.00 65.44 H new ATOM 0 HA ARG A 81 8.561 5.384 4.731 1.00 3.23 H new ATOM 0 HB2 ARG A 81 10.614 5.563 3.349 1.00 0.02 H new ATOM 0 HB3 ARG A 81 9.667 6.095 1.973 1.00 0.02 H new ATOM 0 HG2 ARG A 81 9.003 8.162 3.258 1.00 62.11 H new ATOM 0 HG3 ARG A 81 10.011 7.636 4.592 1.00 62.11 H new ATOM 0 HD2 ARG A 81 10.974 8.350 1.784 1.00 41.13 H new ATOM 0 HD3 ARG A 81 11.188 9.320 3.228 1.00 41.13 H new ATOM 0 HE ARG A 81 12.338 6.774 3.754 1.00 71.03 H new ATOM 0 HH11 ARG A 81 12.930 9.577 1.640 1.00 1.44 H new ATOM 0 HH12 ARG A 81 14.666 9.266 1.540 1.00 1.44 H new ATOM 0 HH21 ARG A 81 14.566 6.405 3.589 1.00 55.23 H new ATOM 0 HH22 ARG A 81 15.578 7.491 2.631 1.00 55.23 H new ATOM 1281 N LYS A 82 6.543 6.802 4.252 1.00 11.22 N ATOM 1282 CA LYS A 82 5.414 7.728 4.037 1.00 54.43 C ATOM 1283 C LYS A 82 5.995 8.998 3.378 1.00 10.35 C ATOM 1284 O LYS A 82 6.808 9.693 3.995 1.00 30.35 O ATOM 1285 CB LYS A 82 4.741 8.059 5.419 1.00 64.12 C ATOM 1286 CG LYS A 82 3.327 8.730 5.400 1.00 3.23 C ATOM 1287 CD LYS A 82 3.259 10.112 4.700 1.00 21.15 C ATOM 1288 CE LYS A 82 1.993 10.927 5.036 1.00 52.10 C ATOM 1289 NZ LYS A 82 0.709 10.259 4.691 1.00 4.41 N ATOM 0 H LYS A 82 6.777 6.672 5.236 1.00 11.22 H new ATOM 0 HA LYS A 82 4.648 7.293 3.395 1.00 54.43 H new ATOM 0 HB2 LYS A 82 4.664 7.131 5.985 1.00 64.12 H new ATOM 0 HB3 LYS A 82 5.415 8.714 5.972 1.00 64.12 H new ATOM 0 HG2 LYS A 82 2.629 8.055 4.904 1.00 3.23 H new ATOM 0 HG3 LYS A 82 2.983 8.844 6.428 1.00 3.23 H new ATOM 0 HD2 LYS A 82 4.137 10.693 4.981 1.00 21.15 H new ATOM 0 HD3 LYS A 82 3.307 9.964 3.621 1.00 21.15 H new ATOM 0 HE2 LYS A 82 1.995 11.150 6.103 1.00 52.10 H new ATOM 0 HE3 LYS A 82 2.042 11.881 4.511 1.00 52.10 H new ATOM 0 HZ1 LYS A 82 -0.080 10.776 5.129 1.00 4.41 H new ATOM 0 HZ2 LYS A 82 0.588 10.252 3.658 1.00 4.41 H new ATOM 0 HZ3 LYS A 82 0.721 9.281 5.044 1.00 4.41 H new ATOM 1303 N VAL A 83 5.599 9.274 2.129 1.00 30.32 N ATOM 1304 CA VAL A 83 6.014 10.484 1.391 1.00 60.12 C ATOM 1305 C VAL A 83 4.764 11.350 1.163 1.00 73.11 C ATOM 1306 O VAL A 83 3.756 10.864 0.636 1.00 5.42 O ATOM 1307 CB VAL A 83 6.701 10.124 0.013 1.00 65.31 C ATOM 1308 CG1 VAL A 83 7.113 11.387 -0.780 1.00 5.40 C ATOM 1309 CG2 VAL A 83 7.906 9.180 0.231 1.00 62.14 C ATOM 0 H VAL A 83 4.979 8.665 1.596 1.00 30.32 H new ATOM 0 HA VAL A 83 6.756 11.028 1.976 1.00 60.12 H new ATOM 0 HB VAL A 83 5.961 9.599 -0.592 1.00 65.31 H new ATOM 0 HG11 VAL A 83 7.581 11.091 -1.719 1.00 5.40 H new ATOM 0 HG12 VAL A 83 6.229 11.990 -0.989 1.00 5.40 H new ATOM 0 HG13 VAL A 83 7.820 11.972 -0.191 1.00 5.40 H new ATOM 0 HG21 VAL A 83 8.363 8.946 -0.730 1.00 62.14 H new ATOM 0 HG22 VAL A 83 8.640 9.669 0.872 1.00 62.14 H new ATOM 0 HG23 VAL A 83 7.566 8.259 0.705 1.00 62.14 H new ATOM 1319 N VAL A 84 4.834 12.622 1.592 1.00 43.40 N ATOM 1320 CA VAL A 84 3.713 13.574 1.509 1.00 40.04 C ATOM 1321 C VAL A 84 3.763 14.302 0.155 1.00 32.44 C ATOM 1322 O VAL A 84 4.833 14.763 -0.257 1.00 45.05 O ATOM 1323 CB VAL A 84 3.781 14.646 2.669 1.00 24.41 C ATOM 1324 CG1 VAL A 84 2.543 15.578 2.657 1.00 73.42 C ATOM 1325 CG2 VAL A 84 3.965 13.985 4.055 1.00 53.51 C ATOM 0 H VAL A 84 5.675 13.021 2.009 1.00 43.40 H new ATOM 0 HA VAL A 84 2.784 13.013 1.609 1.00 40.04 H new ATOM 0 HB VAL A 84 4.662 15.260 2.481 1.00 24.41 H new ATOM 0 HG11 VAL A 84 2.624 16.302 3.468 1.00 73.42 H new ATOM 0 HG12 VAL A 84 2.494 16.105 1.704 1.00 73.42 H new ATOM 0 HG13 VAL A 84 1.639 14.984 2.790 1.00 73.42 H new ATOM 0 HG21 VAL A 84 4.007 14.757 4.824 1.00 53.51 H new ATOM 0 HG22 VAL A 84 3.126 13.319 4.255 1.00 53.51 H new ATOM 0 HG23 VAL A 84 4.893 13.413 4.065 1.00 53.51 H new ATOM 1335 N HIS A 85 2.623 14.370 -0.553 1.00 32.21 N ATOM 1336 CA HIS A 85 2.468 15.223 -1.757 1.00 53.15 C ATOM 1337 C HIS A 85 1.248 16.133 -1.547 1.00 55.13 C ATOM 1338 O HIS A 85 1.308 17.340 -1.800 1.00 43.24 O ATOM 1339 CB HIS A 85 2.330 14.378 -3.053 1.00 53.03 C ATOM 1340 CG HIS A 85 3.500 13.459 -3.339 1.00 2.12 C ATOM 1341 ND1 HIS A 85 4.463 13.731 -4.293 1.00 62.05 N ATOM 1342 CD2 HIS A 85 3.854 12.263 -2.798 1.00 53.01 C ATOM 1343 CE1 HIS A 85 5.345 12.748 -4.321 1.00 60.35 C ATOM 1344 NE2 HIS A 85 4.999 11.853 -3.429 1.00 71.32 N ATOM 0 H HIS A 85 1.784 13.841 -0.314 1.00 32.21 H new ATOM 0 HA HIS A 85 3.364 15.829 -1.888 1.00 53.15 H new ATOM 0 HB2 HIS A 85 1.423 13.778 -2.984 1.00 53.03 H new ATOM 0 HB3 HIS A 85 2.201 15.054 -3.899 1.00 53.03 H new ATOM 0 HD2 HIS A 85 3.330 11.734 -2.016 1.00 53.01 H new ATOM 0 HE1 HIS A 85 6.206 12.692 -4.970 1.00 60.35 H new ATOM 0 HE2 HIS A 85 5.503 10.987 -3.235 1.00 71.32 H new ATOM 1504 N ARG A 96 -8.107 14.953 1.469 1.00 13.44 N ATOM 1505 CA ARG A 96 -7.456 13.635 1.484 1.00 51.32 C ATOM 1506 C ARG A 96 -5.961 13.763 1.824 1.00 45.11 C ATOM 1507 O ARG A 96 -5.404 14.864 1.872 1.00 33.04 O ATOM 1508 CB ARG A 96 -7.573 12.972 0.077 1.00 1.51 C ATOM 1509 CG ARG A 96 -6.746 13.678 -1.016 1.00 33.41 C ATOM 1510 CD ARG A 96 -6.850 12.995 -2.376 1.00 12.01 C ATOM 1511 NE ARG A 96 -6.000 13.639 -3.389 1.00 13.42 N ATOM 1512 CZ ARG A 96 -6.337 13.827 -4.671 1.00 14.44 C ATOM 1513 NH1 ARG A 96 -7.524 13.427 -5.139 1.00 32.32 N ATOM 1514 NH2 ARG A 96 -5.473 14.395 -5.492 1.00 2.44 N ATOM 0 HA ARG A 96 -7.953 13.028 2.241 1.00 51.32 H new ATOM 0 HB2 ARG A 96 -7.252 11.933 0.148 1.00 1.51 H new ATOM 0 HB3 ARG A 96 -8.621 12.962 -0.223 1.00 1.51 H new ATOM 0 HG2 ARG A 96 -7.082 14.711 -1.108 1.00 33.41 H new ATOM 0 HG3 ARG A 96 -5.700 13.709 -0.710 1.00 33.41 H new ATOM 0 HD2 ARG A 96 -6.564 11.948 -2.277 1.00 12.01 H new ATOM 0 HD3 ARG A 96 -7.887 13.012 -2.711 1.00 12.01 H new ATOM 0 HE ARG A 96 -5.082 13.968 -3.091 1.00 13.42 H new ATOM 0 HH11 ARG A 96 -8.190 12.970 -4.516 1.00 32.32 H new ATOM 0 HH12 ARG A 96 -7.763 13.579 -6.119 1.00 32.32 H new ATOM 0 HH21 ARG A 96 -4.558 14.686 -5.148 1.00 2.44 H new ATOM 0 HH22 ARG A 96 -5.720 14.543 -6.470 1.00 2.44 H new ATOM 1528 N ASP A 97 -5.342 12.615 2.096 1.00 61.43 N ATOM 1529 CA ASP A 97 -3.887 12.432 1.962 1.00 51.41 C ATOM 1530 C ASP A 97 -3.591 11.918 0.551 1.00 31.11 C ATOM 1531 O ASP A 97 -4.422 11.230 -0.049 1.00 11.30 O ATOM 1532 CB ASP A 97 -3.332 11.400 2.989 1.00 23.32 C ATOM 1533 CG ASP A 97 -3.172 11.960 4.408 1.00 0.25 C ATOM 1534 OD1 ASP A 97 -2.088 12.491 4.730 1.00 32.43 O ATOM 1535 OD2 ASP A 97 -4.121 11.851 5.219 1.00 30.22 O ATOM 0 H ASP A 97 -5.832 11.780 2.417 1.00 61.43 H new ATOM 0 HA ASP A 97 -3.406 13.392 2.151 1.00 51.41 H new ATOM 0 HB2 ASP A 97 -4.000 10.539 3.022 1.00 23.32 H new ATOM 0 HB3 ASP A 97 -2.364 11.039 2.640 1.00 23.32 H new ATOM 1540 N ASP A 98 -2.427 12.292 0.023 1.00 40.40 N ATOM 1541 CA ASP A 98 -1.761 11.544 -1.051 1.00 72.31 C ATOM 1542 C ASP A 98 -0.492 10.990 -0.428 1.00 30.15 C ATOM 1543 O ASP A 98 0.458 11.745 -0.156 1.00 4.23 O ATOM 1544 CB ASP A 98 -1.419 12.416 -2.281 1.00 3.43 C ATOM 1545 CG ASP A 98 -0.655 11.632 -3.363 1.00 0.21 C ATOM 1546 OD1 ASP A 98 -1.299 10.946 -4.179 1.00 11.21 O ATOM 1547 OD2 ASP A 98 0.591 11.678 -3.390 1.00 14.12 O ATOM 0 H ASP A 98 -1.916 13.121 0.325 1.00 40.40 H new ATOM 0 HA ASP A 98 -2.423 10.766 -1.431 1.00 72.31 H new ATOM 0 HB2 ASP A 98 -2.340 12.815 -2.707 1.00 3.43 H new ATOM 0 HB3 ASP A 98 -0.819 13.269 -1.963 1.00 3.43 H new ATOM 1552 N THR A 99 -0.498 9.690 -0.171 1.00 43.11 N ATOM 1553 CA THR A 99 0.532 9.025 0.598 1.00 71.35 C ATOM 1554 C THR A 99 1.285 8.038 -0.291 1.00 43.35 C ATOM 1555 O THR A 99 0.765 6.981 -0.640 1.00 75.00 O ATOM 1556 CB THR A 99 -0.093 8.293 1.820 1.00 33.14 C ATOM 1557 OG1 THR A 99 -0.896 9.214 2.580 1.00 60.41 O ATOM 1558 CG2 THR A 99 0.994 7.715 2.719 1.00 70.40 C ATOM 0 H THR A 99 -1.232 9.062 -0.498 1.00 43.11 H new ATOM 0 HA THR A 99 1.235 9.770 0.970 1.00 71.35 H new ATOM 0 HB THR A 99 -0.714 7.477 1.449 1.00 33.14 H new ATOM 0 HG1 THR A 99 -1.843 8.985 2.476 1.00 60.41 H new ATOM 0 HG21 THR A 99 0.533 7.208 3.567 1.00 70.40 H new ATOM 0 HG22 THR A 99 1.594 7.003 2.153 1.00 70.40 H new ATOM 0 HG23 THR A 99 1.633 8.520 3.081 1.00 70.40 H new ATOM 1566 N GLU A 100 2.518 8.391 -0.636 1.00 4.42 N ATOM 1567 CA GLU A 100 3.357 7.593 -1.522 1.00 64.24 C ATOM 1568 C GLU A 100 4.275 6.746 -0.641 1.00 65.34 C ATOM 1569 O GLU A 100 5.116 7.293 0.071 1.00 73.55 O ATOM 1570 CB GLU A 100 4.171 8.512 -2.463 1.00 21.12 C ATOM 1571 CG GLU A 100 5.146 7.764 -3.396 1.00 44.03 C ATOM 1572 CD GLU A 100 5.981 8.707 -4.266 1.00 42.11 C ATOM 1573 OE1 GLU A 100 6.850 9.406 -3.710 1.00 50.24 O ATOM 1574 OE2 GLU A 100 5.765 8.771 -5.496 1.00 35.03 O ATOM 0 H GLU A 100 2.967 9.246 -0.306 1.00 4.42 H new ATOM 0 HA GLU A 100 2.750 6.946 -2.156 1.00 64.24 H new ATOM 0 HB2 GLU A 100 3.479 9.094 -3.072 1.00 21.12 H new ATOM 0 HB3 GLU A 100 4.737 9.221 -1.859 1.00 21.12 H new ATOM 0 HG2 GLU A 100 5.813 7.146 -2.795 1.00 44.03 H new ATOM 0 HG3 GLU A 100 4.580 7.090 -4.039 1.00 44.03 H new ATOM 1581 N PHE A 101 4.065 5.426 -0.626 1.00 44.23 N ATOM 1582 CA PHE A 101 4.944 4.507 0.102 1.00 44.22 C ATOM 1583 C PHE A 101 5.971 3.946 -0.889 1.00 13.44 C ATOM 1584 O PHE A 101 5.604 3.318 -1.897 1.00 71.14 O ATOM 1585 CB PHE A 101 4.135 3.372 0.783 1.00 62.01 C ATOM 1586 CG PHE A 101 3.179 3.831 1.890 1.00 22.40 C ATOM 1587 CD1 PHE A 101 3.676 4.337 3.095 1.00 63.31 C ATOM 1588 CD2 PHE A 101 1.789 3.742 1.736 1.00 21.20 C ATOM 1589 CE1 PHE A 101 2.817 4.734 4.108 1.00 31.50 C ATOM 1590 CE2 PHE A 101 0.934 4.140 2.750 1.00 34.12 C ATOM 1591 CZ PHE A 101 1.449 4.635 3.935 1.00 31.14 C ATOM 0 H PHE A 101 3.292 4.970 -1.111 1.00 44.23 H new ATOM 0 HA PHE A 101 5.457 5.041 0.902 1.00 44.22 H new ATOM 0 HB2 PHE A 101 3.559 2.849 0.020 1.00 62.01 H new ATOM 0 HB3 PHE A 101 4.835 2.650 1.204 1.00 62.01 H new ATOM 0 HD1 PHE A 101 4.743 4.420 3.238 1.00 63.31 H new ATOM 0 HD2 PHE A 101 1.379 3.358 0.814 1.00 21.20 H new ATOM 0 HE1 PHE A 101 3.217 5.121 5.034 1.00 31.50 H new ATOM 0 HE2 PHE A 101 -0.135 4.064 2.616 1.00 34.12 H new ATOM 0 HZ PHE A 101 0.782 4.944 4.726 1.00 31.14 H new ATOM 1601 N GLN A 102 7.255 4.202 -0.600 1.00 50.34 N ATOM 1602 CA GLN A 102 8.379 3.856 -1.484 1.00 23.30 C ATOM 1603 C GLN A 102 9.295 2.843 -0.770 1.00 21.02 C ATOM 1604 O GLN A 102 9.527 2.947 0.444 1.00 75.22 O ATOM 1605 CB GLN A 102 9.166 5.137 -1.892 1.00 20.41 C ATOM 1606 CG GLN A 102 9.792 5.922 -0.716 1.00 25.52 C ATOM 1607 CD GLN A 102 10.619 7.143 -1.133 1.00 73.25 C ATOM 1608 OE1 GLN A 102 10.340 7.796 -2.139 1.00 62.15 O ATOM 1609 NE2 GLN A 102 11.646 7.458 -0.360 1.00 71.32 N ATOM 0 H GLN A 102 7.546 4.660 0.264 1.00 50.34 H new ATOM 0 HA GLN A 102 7.997 3.400 -2.397 1.00 23.30 H new ATOM 0 HB2 GLN A 102 9.960 4.853 -2.583 1.00 20.41 H new ATOM 0 HB3 GLN A 102 8.493 5.801 -2.435 1.00 20.41 H new ATOM 0 HG2 GLN A 102 8.994 6.250 -0.050 1.00 25.52 H new ATOM 0 HG3 GLN A 102 10.428 5.247 -0.143 1.00 25.52 H new ATOM 0 HE21 GLN A 102 11.852 6.898 0.467 1.00 71.32 H new ATOM 0 HE22 GLN A 102 12.231 8.261 -0.591 1.00 71.32 H new ATOM 1618 N HIS A 103 9.772 1.846 -1.527 1.00 32.33 N ATOM 1619 CA HIS A 103 10.664 0.796 -1.016 1.00 24.10 C ATOM 1620 C HIS A 103 11.542 0.259 -2.172 1.00 45.10 C ATOM 1621 O HIS A 103 11.008 0.003 -3.249 1.00 0.33 O ATOM 1622 CB HIS A 103 9.816 -0.339 -0.382 1.00 73.40 C ATOM 1623 CG HIS A 103 10.625 -1.410 0.281 1.00 33.33 C ATOM 1624 ND1 HIS A 103 11.244 -1.416 1.477 1.00 32.20 N flip ATOM 1625 CD2 HIS A 103 10.922 -2.622 -0.305 1.00 43.23 C flip ATOM 1626 CE1 HIS A 103 11.896 -2.605 1.597 1.00 40.14 C flip ATOM 1627 NE2 HIS A 103 11.691 -3.312 0.515 1.00 75.33 N flip ATOM 0 H HIS A 103 9.549 1.744 -2.517 1.00 32.33 H new ATOM 0 HA HIS A 103 11.321 1.203 -0.247 1.00 24.10 H new ATOM 0 HB2 HIS A 103 9.138 0.096 0.352 1.00 73.40 H new ATOM 0 HB3 HIS A 103 9.198 -0.793 -1.157 1.00 73.40 H new ATOM 0 HD1 HIS A 103 11.227 -0.666 2.168 1.00 32.20 H new ATOM 0 HD2 HIS A 103 10.581 -2.952 -1.275 1.00 43.23 H new ATOM 0 HE1 HIS A 103 12.486 -2.914 2.447 1.00 40.14 H new ATOM 1636 N PRO A 104 12.897 0.066 -1.971 1.00 44.11 N ATOM 1637 CA PRO A 104 13.827 -0.340 -3.063 1.00 61.35 C ATOM 1638 C PRO A 104 13.439 -1.686 -3.695 1.00 74.23 C ATOM 1639 O PRO A 104 13.418 -1.811 -4.927 1.00 41.35 O ATOM 1640 CB PRO A 104 15.216 -0.415 -2.364 1.00 23.23 C ATOM 1641 CG PRO A 104 14.895 -0.576 -0.905 1.00 21.34 C ATOM 1642 CD PRO A 104 13.634 0.233 -0.687 1.00 0.02 C ATOM 0 HA PRO A 104 13.810 0.364 -3.895 1.00 61.35 H new ATOM 0 HB2 PRO A 104 15.803 -1.255 -2.736 1.00 23.23 H new ATOM 0 HB3 PRO A 104 15.800 0.487 -2.545 1.00 23.23 H new ATOM 0 HG2 PRO A 104 14.740 -1.624 -0.649 1.00 21.34 H new ATOM 0 HG3 PRO A 104 15.710 -0.212 -0.279 1.00 21.34 H new ATOM 0 HD2 PRO A 104 13.058 -0.140 0.160 1.00 0.02 H new ATOM 0 HD3 PRO A 104 13.857 1.280 -0.484 1.00 0.02 H new ATOM 1650 N CYS A 105 13.067 -2.666 -2.841 1.00 42.41 N ATOM 1651 CA CYS A 105 12.712 -4.032 -3.287 1.00 23.45 C ATOM 1652 C CYS A 105 11.192 -4.157 -3.540 1.00 4.15 C ATOM 1653 O CYS A 105 10.660 -5.262 -3.616 1.00 1.12 O ATOM 1654 CB CYS A 105 13.195 -5.072 -2.243 1.00 60.33 C ATOM 1655 SG CYS A 105 14.938 -4.902 -1.793 1.00 41.34 S ATOM 0 H CYS A 105 13.005 -2.534 -1.831 1.00 42.41 H new ATOM 0 HA CYS A 105 13.216 -4.232 -4.233 1.00 23.45 H new ATOM 0 HB2 CYS A 105 12.587 -4.979 -1.343 1.00 60.33 H new ATOM 0 HB3 CYS A 105 13.028 -6.074 -2.638 1.00 60.33 H new ATOM 0 HG CYS A 105 15.250 -5.809 -0.916 1.00 41.34 H new ATOM 1661 N PHE A 106 10.496 -3.010 -3.669 1.00 63.44 N ATOM 1662 CA PHE A 106 9.084 -2.959 -4.088 1.00 54.21 C ATOM 1663 C PHE A 106 8.982 -2.045 -5.312 1.00 74.53 C ATOM 1664 O PHE A 106 9.069 -0.818 -5.194 1.00 12.25 O ATOM 1665 CB PHE A 106 8.152 -2.444 -2.950 1.00 32.24 C ATOM 1666 CG PHE A 106 6.641 -2.477 -3.275 1.00 33.32 C ATOM 1667 CD1 PHE A 106 6.030 -1.471 -4.040 1.00 52.34 C ATOM 1668 CD2 PHE A 106 5.831 -3.512 -2.808 1.00 23.04 C ATOM 1669 CE1 PHE A 106 4.679 -1.512 -4.326 1.00 44.53 C ATOM 1670 CE2 PHE A 106 4.473 -3.544 -3.090 1.00 23.50 C ATOM 1671 CZ PHE A 106 3.900 -2.546 -3.848 1.00 4.42 C ATOM 0 H PHE A 106 10.900 -2.092 -3.485 1.00 63.44 H new ATOM 0 HA PHE A 106 8.752 -3.968 -4.331 1.00 54.21 H new ATOM 0 HB2 PHE A 106 8.329 -3.044 -2.057 1.00 32.24 H new ATOM 0 HB3 PHE A 106 8.433 -1.419 -2.707 1.00 32.24 H new ATOM 0 HD1 PHE A 106 6.626 -0.651 -4.411 1.00 52.34 H new ATOM 0 HD2 PHE A 106 6.269 -4.302 -2.216 1.00 23.04 H new ATOM 0 HE1 PHE A 106 4.231 -0.733 -4.925 1.00 44.53 H new ATOM 0 HE2 PHE A 106 3.864 -4.353 -2.715 1.00 23.50 H new ATOM 0 HZ PHE A 106 2.843 -2.573 -4.068 1.00 4.42 H new ATOM 1681 N LEU A 107 8.828 -2.656 -6.480 1.00 5.14 N ATOM 1682 CA LEU A 107 8.457 -1.963 -7.723 1.00 42.03 C ATOM 1683 C LEU A 107 7.131 -2.590 -8.216 1.00 3.11 C ATOM 1684 O LEU A 107 6.663 -3.585 -7.632 1.00 31.51 O ATOM 1685 CB LEU A 107 9.601 -2.084 -8.778 1.00 51.20 C ATOM 1686 CG LEU A 107 11.046 -1.683 -8.305 1.00 52.53 C ATOM 1687 CD1 LEU A 107 12.100 -2.017 -9.386 1.00 60.20 C ATOM 1688 CD2 LEU A 107 11.128 -0.199 -7.897 1.00 20.13 C ATOM 0 H LEU A 107 8.957 -3.661 -6.600 1.00 5.14 H new ATOM 0 HA LEU A 107 8.313 -0.895 -7.556 1.00 42.03 H new ATOM 0 HB2 LEU A 107 9.632 -3.116 -9.129 1.00 51.20 H new ATOM 0 HB3 LEU A 107 9.340 -1.464 -9.635 1.00 51.20 H new ATOM 0 HG LEU A 107 11.268 -2.276 -7.418 1.00 52.53 H new ATOM 0 HD11 LEU A 107 13.089 -1.729 -9.031 1.00 60.20 H new ATOM 0 HD12 LEU A 107 12.085 -3.088 -9.590 1.00 60.20 H new ATOM 0 HD13 LEU A 107 11.869 -1.470 -10.300 1.00 60.20 H new ATOM 0 HD21 LEU A 107 12.143 0.035 -7.577 1.00 20.13 H new ATOM 0 HD22 LEU A 107 10.862 0.428 -8.748 1.00 20.13 H new ATOM 0 HD23 LEU A 107 10.436 -0.008 -7.077 1.00 20.13 H new ATOM 1700 N ARG A 108 6.537 -2.016 -9.275 1.00 40.22 N ATOM 1701 CA ARG A 108 5.199 -2.399 -9.761 1.00 10.13 C ATOM 1702 C ARG A 108 5.187 -3.870 -10.249 1.00 72.53 C ATOM 1703 O ARG A 108 4.622 -4.743 -9.583 1.00 30.44 O ATOM 1704 CB ARG A 108 4.743 -1.423 -10.889 1.00 42.55 C ATOM 1705 CG ARG A 108 3.353 -1.737 -11.475 1.00 13.33 C ATOM 1706 CD ARG A 108 2.936 -0.819 -12.633 1.00 54.55 C ATOM 1707 NE ARG A 108 1.723 -1.341 -13.290 1.00 1.05 N ATOM 1708 CZ ARG A 108 1.148 -0.841 -14.392 1.00 32.21 C ATOM 1709 NH1 ARG A 108 1.632 0.235 -15.006 1.00 73.02 N ATOM 1710 NH2 ARG A 108 0.058 -1.414 -14.862 1.00 64.10 N ATOM 0 H ARG A 108 6.971 -1.271 -9.820 1.00 40.22 H new ATOM 0 HA ARG A 108 4.491 -2.325 -8.936 1.00 10.13 H new ATOM 0 HB2 ARG A 108 4.737 -0.407 -10.494 1.00 42.55 H new ATOM 0 HB3 ARG A 108 5.478 -1.448 -11.694 1.00 42.55 H new ATOM 0 HG2 ARG A 108 3.343 -2.770 -11.823 1.00 13.33 H new ATOM 0 HG3 ARG A 108 2.611 -1.661 -10.681 1.00 13.33 H new ATOM 0 HD2 ARG A 108 2.750 0.188 -12.259 1.00 54.55 H new ATOM 0 HD3 ARG A 108 3.747 -0.745 -13.358 1.00 54.55 H new ATOM 0 HE ARG A 108 1.282 -2.157 -12.867 1.00 1.05 H new ATOM 0 HH11 ARG A 108 2.462 0.701 -14.639 1.00 73.02 H new ATOM 0 HH12 ARG A 108 1.174 0.594 -15.844 1.00 73.02 H new ATOM 0 HH21 ARG A 108 -0.336 -2.226 -14.388 1.00 64.10 H new ATOM 0 HH22 ARG A 108 -0.391 -1.045 -15.700 1.00 64.10 H new ATOM 1724 N GLY A 109 5.881 -4.143 -11.375 1.00 13.33 N ATOM 1725 CA GLY A 109 5.940 -5.487 -11.967 1.00 72.23 C ATOM 1726 C GLY A 109 7.068 -6.341 -11.395 1.00 41.02 C ATOM 1727 O GLY A 109 7.706 -7.108 -12.124 1.00 51.10 O ATOM 0 H GLY A 109 6.410 -3.441 -11.892 1.00 13.33 H new ATOM 0 HA2 GLY A 109 4.989 -5.993 -11.802 1.00 72.23 H new ATOM 0 HA3 GLY A 109 6.070 -5.398 -13.045 1.00 72.23 H new ATOM 1731 N GLN A 110 7.321 -6.208 -10.077 1.00 73.25 N ATOM 1732 CA GLN A 110 8.401 -6.918 -9.372 1.00 53.44 C ATOM 1733 C GLN A 110 7.807 -7.658 -8.168 1.00 75.11 C ATOM 1734 O GLN A 110 8.254 -7.501 -7.022 1.00 43.12 O ATOM 1735 CB GLN A 110 9.531 -5.925 -8.951 1.00 42.54 C ATOM 1736 CG GLN A 110 10.346 -5.345 -10.125 1.00 74.02 C ATOM 1737 CD GLN A 110 11.117 -6.406 -10.906 1.00 75.05 C ATOM 1738 OE1 GLN A 110 10.599 -6.990 -11.853 1.00 10.42 O ATOM 1739 NE2 GLN A 110 12.362 -6.653 -10.535 1.00 33.41 N ATOM 0 H GLN A 110 6.775 -5.598 -9.469 1.00 73.25 H new ATOM 0 HA GLN A 110 8.860 -7.651 -10.036 1.00 53.44 H new ATOM 0 HB2 GLN A 110 9.084 -5.101 -8.394 1.00 42.54 H new ATOM 0 HB3 GLN A 110 10.212 -6.437 -8.271 1.00 42.54 H new ATOM 0 HG2 GLN A 110 9.672 -4.823 -10.804 1.00 74.02 H new ATOM 0 HG3 GLN A 110 11.048 -4.605 -9.741 1.00 74.02 H new ATOM 0 HE21 GLN A 110 12.767 -6.153 -9.744 1.00 33.41 H new ATOM 0 HE22 GLN A 110 12.917 -7.344 -11.040 1.00 33.41 H new ATOM 1748 N GLU A 111 6.768 -8.466 -8.454 1.00 51.55 N ATOM 1749 CA GLU A 111 6.119 -9.347 -7.458 1.00 73.14 C ATOM 1750 C GLU A 111 7.113 -10.372 -6.863 1.00 43.23 C ATOM 1751 O GLU A 111 6.977 -10.783 -5.702 1.00 51.24 O ATOM 1752 CB GLU A 111 4.916 -10.092 -8.090 1.00 62.32 C ATOM 1753 CG GLU A 111 5.284 -11.017 -9.275 1.00 10.31 C ATOM 1754 CD GLU A 111 4.101 -11.858 -9.772 1.00 33.40 C ATOM 1755 OE1 GLU A 111 3.892 -12.978 -9.258 1.00 24.35 O ATOM 1756 OE2 GLU A 111 3.371 -11.402 -10.675 1.00 53.23 O ATOM 0 H GLU A 111 6.353 -8.528 -9.384 1.00 51.55 H new ATOM 0 HA GLU A 111 5.764 -8.710 -6.648 1.00 73.14 H new ATOM 0 HB2 GLU A 111 4.428 -10.688 -7.319 1.00 62.32 H new ATOM 0 HB3 GLU A 111 4.188 -9.356 -8.432 1.00 62.32 H new ATOM 0 HG2 GLU A 111 5.662 -10.410 -10.098 1.00 10.31 H new ATOM 0 HG3 GLU A 111 6.093 -11.682 -8.972 1.00 10.31 H new ATOM 1763 N GLN A 112 8.114 -10.776 -7.678 1.00 35.12 N ATOM 1764 CA GLN A 112 9.180 -11.702 -7.255 1.00 11.53 C ATOM 1765 C GLN A 112 10.045 -11.104 -6.123 1.00 33.24 C ATOM 1766 O GLN A 112 10.697 -11.841 -5.387 1.00 34.05 O ATOM 1767 CB GLN A 112 10.098 -12.123 -8.446 1.00 52.53 C ATOM 1768 CG GLN A 112 10.963 -10.999 -9.096 1.00 22.23 C ATOM 1769 CD GLN A 112 10.287 -10.227 -10.242 1.00 30.43 C ATOM 1770 OE1 GLN A 112 9.066 -10.063 -10.284 1.00 4.40 O ATOM 1771 NE2 GLN A 112 11.085 -9.741 -11.183 1.00 54.52 N ATOM 0 H GLN A 112 8.202 -10.467 -8.646 1.00 35.12 H new ATOM 0 HA GLN A 112 8.674 -12.591 -6.877 1.00 11.53 H new ATOM 0 HB2 GLN A 112 10.768 -12.909 -8.098 1.00 52.53 H new ATOM 0 HB3 GLN A 112 9.470 -12.560 -9.222 1.00 52.53 H new ATOM 0 HG2 GLN A 112 11.248 -10.288 -8.320 1.00 22.23 H new ATOM 0 HG3 GLN A 112 11.883 -11.445 -9.474 1.00 22.23 H new ATOM 0 HE21 GLN A 112 12.092 -9.891 -11.125 1.00 54.52 H new ATOM 0 HE22 GLN A 112 10.692 -9.217 -11.965 1.00 54.52 H new ATOM 1780 N LEU A 113 10.050 -9.756 -6.012 1.00 22.13 N ATOM 1781 CA LEU A 113 10.832 -9.031 -4.992 1.00 35.21 C ATOM 1782 C LEU A 113 10.024 -8.797 -3.696 1.00 72.20 C ATOM 1783 O LEU A 113 10.607 -8.378 -2.696 1.00 25.31 O ATOM 1784 CB LEU A 113 11.366 -7.685 -5.562 1.00 41.20 C ATOM 1785 CG LEU A 113 12.377 -7.788 -6.750 1.00 21.33 C ATOM 1786 CD1 LEU A 113 12.856 -6.387 -7.183 1.00 31.23 C ATOM 1787 CD2 LEU A 113 13.572 -8.702 -6.399 1.00 44.43 C ATOM 0 H LEU A 113 9.513 -9.144 -6.626 1.00 22.13 H new ATOM 0 HA LEU A 113 11.683 -9.660 -4.730 1.00 35.21 H new ATOM 0 HB2 LEU A 113 10.513 -7.090 -5.889 1.00 41.20 H new ATOM 0 HB3 LEU A 113 11.846 -7.136 -4.751 1.00 41.20 H new ATOM 0 HG LEU A 113 11.856 -8.244 -7.592 1.00 21.33 H new ATOM 0 HD11 LEU A 113 13.559 -6.482 -8.011 1.00 31.23 H new ATOM 0 HD12 LEU A 113 12.000 -5.792 -7.501 1.00 31.23 H new ATOM 0 HD13 LEU A 113 13.348 -5.895 -6.344 1.00 31.23 H new ATOM 0 HD21 LEU A 113 14.254 -8.751 -7.248 1.00 44.43 H new ATOM 0 HD22 LEU A 113 14.097 -8.298 -5.534 1.00 44.43 H new ATOM 0 HD23 LEU A 113 13.209 -9.703 -6.168 1.00 44.43 H new ATOM 1799 N LEU A 114 8.696 -9.089 -3.710 1.00 34.10 N ATOM 1800 CA LEU A 114 7.832 -8.994 -2.494 1.00 74.22 C ATOM 1801 C LEU A 114 8.326 -9.952 -1.396 1.00 51.32 C ATOM 1802 O LEU A 114 8.312 -9.623 -0.207 1.00 23.44 O ATOM 1803 CB LEU A 114 6.346 -9.328 -2.813 1.00 41.21 C ATOM 1804 CG LEU A 114 5.613 -8.411 -3.831 1.00 61.34 C ATOM 1805 CD1 LEU A 114 4.158 -8.885 -4.052 1.00 24.31 C ATOM 1806 CD2 LEU A 114 5.669 -6.939 -3.389 1.00 73.55 C ATOM 0 H LEU A 114 8.198 -9.392 -4.547 1.00 34.10 H new ATOM 0 HA LEU A 114 7.896 -7.963 -2.145 1.00 74.22 H new ATOM 0 HB2 LEU A 114 6.303 -10.351 -3.188 1.00 41.21 H new ATOM 0 HB3 LEU A 114 5.787 -9.308 -1.877 1.00 41.21 H new ATOM 0 HG LEU A 114 6.131 -8.483 -4.787 1.00 61.34 H new ATOM 0 HD11 LEU A 114 3.666 -8.227 -4.768 1.00 24.31 H new ATOM 0 HD12 LEU A 114 4.162 -9.904 -4.438 1.00 24.31 H new ATOM 0 HD13 LEU A 114 3.619 -8.858 -3.105 1.00 24.31 H new ATOM 0 HD21 LEU A 114 5.148 -6.320 -4.119 1.00 73.55 H new ATOM 0 HD22 LEU A 114 5.190 -6.833 -2.416 1.00 73.55 H new ATOM 0 HD23 LEU A 114 6.709 -6.620 -3.318 1.00 73.55 H new ATOM 1818 N GLU A 115 8.766 -11.143 -1.828 1.00 3.53 N ATOM 1819 CA GLU A 115 9.288 -12.182 -0.927 1.00 10.55 C ATOM 1820 C GLU A 115 10.742 -11.913 -0.519 1.00 52.25 C ATOM 1821 O GLU A 115 11.266 -12.566 0.388 1.00 12.53 O ATOM 1822 CB GLU A 115 9.155 -13.567 -1.587 1.00 13.33 C ATOM 1823 CG GLU A 115 9.852 -13.730 -2.946 1.00 34.50 C ATOM 1824 CD GLU A 115 9.529 -15.076 -3.597 1.00 4.11 C ATOM 1825 OE1 GLU A 115 9.975 -16.114 -3.061 1.00 22.32 O ATOM 1826 OE2 GLU A 115 8.794 -15.110 -4.604 1.00 25.50 O ATOM 0 H GLU A 115 8.770 -11.413 -2.812 1.00 3.53 H new ATOM 0 HA GLU A 115 8.692 -12.161 -0.015 1.00 10.55 H new ATOM 0 HB2 GLU A 115 9.556 -14.315 -0.903 1.00 13.33 H new ATOM 0 HB3 GLU A 115 8.095 -13.787 -1.715 1.00 13.33 H new ATOM 0 HG2 GLU A 115 9.544 -12.923 -3.611 1.00 34.50 H new ATOM 0 HG3 GLU A 115 10.930 -13.641 -2.814 1.00 34.50 H new ATOM 1833 N ASN A 116 11.384 -10.948 -1.194 1.00 1.52 N ATOM 1834 CA ASN A 116 12.733 -10.463 -0.839 1.00 31.21 C ATOM 1835 C ASN A 116 12.621 -9.335 0.201 1.00 44.43 C ATOM 1836 O ASN A 116 13.620 -8.947 0.807 1.00 60.11 O ATOM 1837 CB ASN A 116 13.502 -9.992 -2.105 1.00 13.30 C ATOM 1838 CG ASN A 116 13.891 -11.147 -3.032 1.00 71.23 C ATOM 1839 OD1 ASN A 116 12.960 -11.594 -3.853 1.00 31.04 O flip ATOM 1840 ND2 ASN A 116 15.009 -11.664 -2.977 1.00 33.12 N flip ATOM 0 H ASN A 116 10.983 -10.478 -2.006 1.00 1.52 H new ATOM 0 HA ASN A 116 13.302 -11.283 -0.400 1.00 31.21 H new ATOM 0 HB2 ASN A 116 12.884 -9.283 -2.656 1.00 13.30 H new ATOM 0 HB3 ASN A 116 14.403 -9.459 -1.799 1.00 13.30 H new ATOM 0 HD21 ASN A 116 15.709 -11.297 -2.332 1.00 33.12 H new ATOM 0 HD22 ASN A 116 15.234 -12.458 -3.576 1.00 33.12 H new ATOM 1847 N ILE A 117 11.382 -8.846 0.426 1.00 41.14 N ATOM 1848 CA ILE A 117 11.080 -7.834 1.452 1.00 42.13 C ATOM 1849 C ILE A 117 10.831 -8.543 2.789 1.00 41.15 C ATOM 1850 O ILE A 117 10.128 -9.564 2.834 1.00 0.13 O ATOM 1851 CB ILE A 117 9.807 -6.967 1.083 1.00 55.12 C ATOM 1852 CG1 ILE A 117 9.944 -6.326 -0.326 1.00 54.15 C ATOM 1853 CG2 ILE A 117 9.509 -5.884 2.157 1.00 1.21 C ATOM 1854 CD1 ILE A 117 8.708 -5.574 -0.804 1.00 1.13 C ATOM 0 H ILE A 117 10.563 -9.146 -0.103 1.00 41.14 H new ATOM 0 HA ILE A 117 11.933 -7.159 1.517 1.00 42.13 H new ATOM 0 HB ILE A 117 8.957 -7.649 1.062 1.00 55.12 H new ATOM 0 HG12 ILE A 117 10.790 -5.639 -0.317 1.00 54.15 H new ATOM 0 HG13 ILE A 117 10.177 -7.110 -1.046 1.00 54.15 H new ATOM 0 HG21 ILE A 117 8.628 -5.313 1.863 1.00 1.21 H new ATOM 0 HG22 ILE A 117 9.326 -6.365 3.118 1.00 1.21 H new ATOM 0 HG23 ILE A 117 10.364 -5.213 2.244 1.00 1.21 H new ATOM 0 HD11 ILE A 117 8.894 -5.161 -1.795 1.00 1.13 H new ATOM 0 HD12 ILE A 117 7.861 -6.258 -0.850 1.00 1.13 H new ATOM 0 HD13 ILE A 117 8.483 -4.764 -0.110 1.00 1.13 H new ATOM 1866 N LYS A 118 11.422 -8.005 3.867 1.00 42.13 N ATOM 1867 CA LYS A 118 11.270 -8.534 5.231 1.00 62.33 C ATOM 1868 C LYS A 118 10.727 -7.445 6.148 1.00 34.35 C ATOM 1869 O LYS A 118 10.973 -6.253 5.926 1.00 41.32 O ATOM 1870 CB LYS A 118 12.630 -9.057 5.775 1.00 74.10 C ATOM 1871 CG LYS A 118 13.289 -10.114 4.882 1.00 2.23 C ATOM 1872 CD LYS A 118 12.396 -11.361 4.692 1.00 31.33 C ATOM 1873 CE LYS A 118 12.962 -12.324 3.659 1.00 64.11 C ATOM 1874 NZ LYS A 118 13.077 -11.706 2.317 1.00 72.25 N ATOM 0 H LYS A 118 12.024 -7.183 3.816 1.00 42.13 H new ATOM 0 HA LYS A 118 10.568 -9.368 5.204 1.00 62.33 H new ATOM 0 HB2 LYS A 118 13.313 -8.215 5.890 1.00 74.10 H new ATOM 0 HB3 LYS A 118 12.475 -9.479 6.768 1.00 74.10 H new ATOM 0 HG2 LYS A 118 13.511 -9.677 3.908 1.00 2.23 H new ATOM 0 HG3 LYS A 118 14.241 -10.415 5.320 1.00 2.23 H new ATOM 0 HD2 LYS A 118 12.288 -11.877 5.646 1.00 31.33 H new ATOM 0 HD3 LYS A 118 11.398 -11.047 4.385 1.00 31.33 H new ATOM 0 HE2 LYS A 118 13.944 -12.666 3.984 1.00 64.11 H new ATOM 0 HE3 LYS A 118 12.322 -13.204 3.597 1.00 64.11 H new ATOM 0 HZ1 LYS A 118 12.527 -12.261 1.631 1.00 72.25 H new ATOM 0 HZ2 LYS A 118 12.710 -10.734 2.350 1.00 72.25 H new ATOM 0 HZ3 LYS A 118 14.076 -11.689 2.027 1.00 72.25 H new ATOM 1888 N ARG A 119 9.985 -7.878 7.169 1.00 35.33 N ATOM 1889 CA ARG A 119 9.509 -6.997 8.244 1.00 11.31 C ATOM 1890 C ARG A 119 10.618 -6.884 9.311 1.00 11.01 C ATOM 1891 O ARG A 119 10.915 -5.792 9.805 1.00 34.44 O ATOM 1892 CB ARG A 119 8.167 -7.526 8.848 1.00 4.14 C ATOM 1893 CG ARG A 119 8.255 -8.927 9.478 1.00 33.05 C ATOM 1894 CD ARG A 119 6.925 -9.447 10.035 1.00 2.24 C ATOM 1895 NE ARG A 119 5.976 -9.871 8.984 1.00 2.33 N ATOM 1896 CZ ARG A 119 5.014 -10.804 9.152 1.00 72.22 C ATOM 1897 NH1 ARG A 119 4.856 -11.431 10.318 1.00 52.21 N ATOM 1898 NH2 ARG A 119 4.222 -11.118 8.142 1.00 73.12 N ATOM 0 H ARG A 119 9.695 -8.850 7.276 1.00 35.33 H new ATOM 0 HA ARG A 119 9.297 -6.004 7.847 1.00 11.31 H new ATOM 0 HB2 ARG A 119 7.823 -6.822 9.606 1.00 4.14 H new ATOM 0 HB3 ARG A 119 7.412 -7.542 8.062 1.00 4.14 H new ATOM 0 HG2 ARG A 119 8.622 -9.628 8.729 1.00 33.05 H new ATOM 0 HG3 ARG A 119 8.990 -8.907 10.282 1.00 33.05 H new ATOM 0 HD2 ARG A 119 7.122 -10.289 10.698 1.00 2.24 H new ATOM 0 HD3 ARG A 119 6.462 -8.667 10.639 1.00 2.24 H new ATOM 0 HE ARG A 119 6.053 -9.428 8.068 1.00 2.33 H new ATOM 0 HH11 ARG A 119 5.468 -11.209 11.103 1.00 52.21 H new ATOM 0 HH12 ARG A 119 4.123 -12.133 10.425 1.00 52.21 H new ATOM 0 HH21 ARG A 119 4.338 -10.656 7.240 1.00 73.12 H new ATOM 0 HH22 ARG A 119 3.494 -11.822 8.264 1.00 73.12 H new