USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 30 ASN : amide:sc= 1.33 K(o=2.1,f=-2.6) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 168:sc= 0.726 (180deg=0) USER MOD Set 2.1: A 35 SER OG : rot -81:sc= 0.417 USER MOD Set 2.2: A 66 ASN : amide:sc= 1.68 K(o=2.1,f=-0.71) USER MOD Single : A 25 THR OG1 : rot 15:sc= 0.97 USER MOD Single : A 32 ASN : amide:sc= -3.35 K(o=-3.4,f=-4.5!) USER MOD Single : A 34 HIS : no HD1:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 170:sc= -0.989 (180deg=-1.22) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 52 SER OG : rot 180:sc=0.000138 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0351 K(o=0.035,f=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 63 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A 64 GLN : amide:sc= 0.374 X(o=0.37,f=-0.069) USER MOD Single : A 73 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.37) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 90 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.00019) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.144 11.002 4.297 1.00 23.34 N ATOM 281 CA ASP A 24 -3.123 9.860 5.199 1.00 14.41 C ATOM 282 C ASP A 24 -2.846 8.657 4.322 1.00 61.42 C ATOM 283 O ASP A 24 -3.481 8.477 3.287 1.00 53.15 O ATOM 284 CB ASP A 24 -4.417 9.731 6.038 1.00 43.23 C ATOM 285 CG ASP A 24 -5.592 10.589 5.556 1.00 54.44 C ATOM 286 OD1 ASP A 24 -5.588 11.818 5.810 1.00 42.21 O ATOM 287 OD2 ASP A 24 -6.511 10.060 4.895 1.00 75.12 O ATOM 0 HA ASP A 24 -2.350 9.968 5.960 1.00 14.41 H new ATOM 0 HB2 ASP A 24 -4.727 8.686 6.041 1.00 43.23 H new ATOM 0 HB3 ASP A 24 -4.191 9.999 7.070 1.00 43.23 H new ATOM 291 N THR A 25 -1.771 7.948 4.639 1.00 64.45 N ATOM 292 CA THR A 25 -1.089 6.964 3.813 1.00 53.11 C ATOM 293 C THR A 25 -0.109 6.221 4.738 1.00 42.43 C ATOM 294 O THR A 25 0.249 6.705 5.821 1.00 21.01 O ATOM 295 CB THR A 25 -0.412 7.742 2.651 1.00 11.10 C ATOM 296 OG1 THR A 25 -1.372 8.114 1.676 1.00 44.12 O ATOM 297 CG2 THR A 25 0.721 7.055 1.909 1.00 71.14 C ATOM 0 H THR A 25 -1.321 8.055 5.548 1.00 64.45 H new ATOM 0 HA THR A 25 -1.739 6.216 3.359 1.00 53.11 H new ATOM 0 HB THR A 25 0.036 8.586 3.175 1.00 11.10 H new ATOM 0 HG1 THR A 25 -2.273 8.008 2.047 1.00 44.12 H new ATOM 0 HG21 THR A 25 1.096 7.715 1.127 1.00 71.14 H new ATOM 0 HG22 THR A 25 1.526 6.825 2.607 1.00 71.14 H new ATOM 0 HG23 THR A 25 0.355 6.132 1.460 1.00 71.14 H new ATOM 305 N ILE A 26 0.333 5.038 4.324 1.00 74.22 N ATOM 306 CA ILE A 26 1.405 4.280 4.947 1.00 44.34 C ATOM 307 C ILE A 26 2.598 4.327 3.980 1.00 64.05 C ATOM 308 O ILE A 26 2.427 4.394 2.760 1.00 43.53 O ATOM 309 CB ILE A 26 0.904 2.857 5.285 1.00 35.33 C ATOM 310 CG1 ILE A 26 -0.153 2.803 6.412 1.00 1.44 C ATOM 311 CG2 ILE A 26 2.021 1.839 5.551 1.00 11.30 C ATOM 312 CD1 ILE A 26 0.347 3.074 7.828 1.00 22.00 C ATOM 0 H ILE A 26 -0.064 4.565 3.512 1.00 74.22 H new ATOM 0 HA ILE A 26 1.729 4.698 5.900 1.00 44.34 H new ATOM 0 HB ILE A 26 0.407 2.557 4.362 1.00 35.33 H new ATOM 0 HG12 ILE A 26 -0.934 3.527 6.182 1.00 1.44 H new ATOM 0 HG13 ILE A 26 -0.618 1.817 6.397 1.00 1.44 H new ATOM 0 HG21 ILE A 26 1.582 0.868 5.780 1.00 11.30 H new ATOM 0 HG22 ILE A 26 2.652 1.752 4.667 1.00 11.30 H new ATOM 0 HG23 ILE A 26 2.624 2.173 6.396 1.00 11.30 H new ATOM 0 HD11 ILE A 26 -0.487 3.008 8.527 1.00 22.00 H new ATOM 0 HD12 ILE A 26 1.104 2.336 8.094 1.00 22.00 H new ATOM 0 HD13 ILE A 26 0.782 4.072 7.876 1.00 22.00 H new ATOM 323 N ILE A 27 3.807 4.268 4.535 1.00 71.31 N ATOM 324 CA ILE A 27 5.088 4.160 3.839 1.00 71.45 C ATOM 325 C ILE A 27 5.763 2.927 4.438 1.00 63.13 C ATOM 326 O ILE A 27 5.430 2.527 5.556 1.00 24.10 O ATOM 327 CB ILE A 27 5.931 5.456 4.007 1.00 51.42 C ATOM 328 CG1 ILE A 27 7.045 5.659 2.947 1.00 60.02 C ATOM 329 CG2 ILE A 27 6.620 5.539 5.376 1.00 72.42 C ATOM 330 CD1 ILE A 27 6.588 6.533 1.788 1.00 64.43 C ATOM 0 H ILE A 27 3.926 4.296 5.548 1.00 71.31 H new ATOM 0 HA ILE A 27 4.969 4.049 2.761 1.00 71.45 H new ATOM 0 HB ILE A 27 5.179 6.236 3.886 1.00 51.42 H new ATOM 0 HG12 ILE A 27 7.915 6.113 3.420 1.00 60.02 H new ATOM 0 HG13 ILE A 27 7.361 4.688 2.565 1.00 60.02 H new ATOM 0 HG21 ILE A 27 7.195 6.463 5.439 1.00 72.42 H new ATOM 0 HG22 ILE A 27 5.867 5.526 6.164 1.00 72.42 H new ATOM 0 HG23 ILE A 27 7.289 4.687 5.499 1.00 72.42 H new ATOM 0 HD11 ILE A 27 7.403 6.645 1.073 1.00 64.43 H new ATOM 0 HD12 ILE A 27 5.735 6.067 1.295 1.00 64.43 H new ATOM 0 HD13 ILE A 27 6.298 7.514 2.164 1.00 64.43 H new ATOM 341 N LEU A 28 6.722 2.347 3.726 1.00 2.20 N ATOM 342 CA LEU A 28 7.475 1.186 4.178 1.00 12.13 C ATOM 343 C LEU A 28 8.922 1.403 3.803 1.00 11.53 C ATOM 344 O LEU A 28 9.198 2.137 2.850 1.00 35.22 O ATOM 345 CB LEU A 28 6.969 -0.096 3.514 1.00 43.25 C ATOM 346 CG LEU A 28 5.493 -0.372 3.831 1.00 21.13 C ATOM 347 CD1 LEU A 28 4.598 0.125 2.691 1.00 63.02 C ATOM 348 CD2 LEU A 28 5.271 -1.857 4.079 1.00 32.04 C ATOM 0 H LEU A 28 7.002 2.677 2.802 1.00 2.20 H new ATOM 0 HA LEU A 28 7.356 1.074 5.256 1.00 12.13 H new ATOM 0 HB2 LEU A 28 7.098 -0.019 2.434 1.00 43.25 H new ATOM 0 HB3 LEU A 28 7.574 -0.939 3.848 1.00 43.25 H new ATOM 0 HG LEU A 28 5.226 0.171 4.738 1.00 21.13 H new ATOM 0 HD11 LEU A 28 3.555 -0.079 2.932 1.00 63.02 H new ATOM 0 HD12 LEU A 28 4.737 1.198 2.560 1.00 63.02 H new ATOM 0 HD13 LEU A 28 4.864 -0.390 1.768 1.00 63.02 H new ATOM 0 HD21 LEU A 28 4.219 -2.035 4.302 1.00 32.04 H new ATOM 0 HD22 LEU A 28 5.554 -2.421 3.190 1.00 32.04 H new ATOM 0 HD23 LEU A 28 5.881 -2.180 4.923 1.00 32.04 H new ATOM 359 N ARG A 29 9.848 0.769 4.523 1.00 22.51 N ATOM 360 CA ARG A 29 11.288 1.007 4.352 1.00 62.31 C ATOM 361 C ARG A 29 12.055 -0.314 4.491 1.00 43.01 C ATOM 362 O ARG A 29 11.441 -1.355 4.716 1.00 13.44 O ATOM 363 CB ARG A 29 11.775 2.106 5.324 1.00 33.40 C ATOM 364 CG ARG A 29 11.060 3.440 5.034 1.00 2.33 C ATOM 365 CD ARG A 29 11.625 4.636 5.793 1.00 35.40 C ATOM 366 NE ARG A 29 12.779 5.279 5.152 1.00 35.53 N ATOM 367 CZ ARG A 29 13.332 6.397 5.633 1.00 4.03 C ATOM 368 NH1 ARG A 29 12.911 6.906 6.790 1.00 75.53 N ATOM 369 NH2 ARG A 29 14.291 7.031 4.970 1.00 13.03 N ATOM 0 H ARG A 29 9.626 0.078 5.239 1.00 22.51 H new ATOM 0 HA ARG A 29 11.486 1.382 3.348 1.00 62.31 H new ATOM 0 HB2 ARG A 29 11.584 1.800 6.353 1.00 33.40 H new ATOM 0 HB3 ARG A 29 12.853 2.235 5.225 1.00 33.40 H new ATOM 0 HG2 ARG A 29 11.117 3.644 3.965 1.00 2.33 H new ATOM 0 HG3 ARG A 29 10.004 3.334 5.282 1.00 2.33 H new ATOM 0 HD2 ARG A 29 10.835 5.377 5.916 1.00 35.40 H new ATOM 0 HD3 ARG A 29 11.916 4.311 6.792 1.00 35.40 H new ATOM 0 HE ARG A 29 13.172 4.858 4.310 1.00 35.53 H new ATOM 0 HH11 ARG A 29 12.166 6.443 7.310 1.00 75.53 H new ATOM 0 HH12 ARG A 29 13.334 7.759 7.156 1.00 75.53 H new ATOM 0 HH21 ARG A 29 14.619 6.667 4.076 1.00 13.03 H new ATOM 0 HH22 ARG A 29 14.700 7.883 5.355 1.00 13.03 H new ATOM 380 N ASN A 30 13.386 -0.279 4.355 1.00 20.51 N ATOM 381 CA ASN A 30 14.300 -1.424 4.517 1.00 74.33 C ATOM 382 C ASN A 30 14.094 -2.544 3.484 1.00 2.42 C ATOM 383 O ASN A 30 14.368 -3.712 3.755 1.00 64.24 O ATOM 384 CB ASN A 30 14.253 -1.950 5.958 1.00 24.42 C ATOM 385 CG ASN A 30 15.445 -2.844 6.275 1.00 61.43 C ATOM 386 OD1 ASN A 30 16.592 -2.455 6.057 1.00 0.01 O ATOM 387 ND2 ASN A 30 15.211 -4.014 6.825 1.00 32.52 N ATOM 0 H ASN A 30 13.879 0.582 4.119 1.00 20.51 H new ATOM 0 HA ASN A 30 15.303 -1.048 4.316 1.00 74.33 H new ATOM 0 HB2 ASN A 30 14.235 -1.109 6.651 1.00 24.42 H new ATOM 0 HB3 ASN A 30 13.329 -2.508 6.111 1.00 24.42 H new ATOM 0 HD21 ASN A 30 15.989 -4.622 7.081 1.00 32.52 H new ATOM 0 HD22 ASN A 30 14.251 -4.314 6.996 1.00 32.52 H new ATOM 393 N LEU A 31 13.590 -2.205 2.297 1.00 54.21 N ATOM 394 CA LEU A 31 13.235 -3.168 1.264 1.00 33.41 C ATOM 395 C LEU A 31 14.489 -3.523 0.460 1.00 60.43 C ATOM 396 O LEU A 31 15.589 -3.080 0.793 1.00 73.52 O ATOM 397 CB LEU A 31 12.083 -2.694 0.350 1.00 40.03 C ATOM 398 CG LEU A 31 10.916 -1.962 1.034 1.00 13.00 C ATOM 399 CD1 LEU A 31 11.257 -0.498 1.210 1.00 12.32 C ATOM 400 CD2 LEU A 31 9.650 -1.915 0.173 1.00 41.35 C ATOM 0 H LEU A 31 13.416 -1.237 2.026 1.00 54.21 H new ATOM 0 HA LEU A 31 12.851 -4.061 1.758 1.00 33.41 H new ATOM 0 HB2 LEU A 31 12.501 -2.033 -0.409 1.00 40.03 H new ATOM 0 HB3 LEU A 31 11.681 -3.564 -0.170 1.00 40.03 H new ATOM 0 HG LEU A 31 10.752 -2.507 1.964 1.00 13.00 H new ATOM 0 HD11 LEU A 31 10.426 0.013 1.695 1.00 12.32 H new ATOM 0 HD12 LEU A 31 12.151 -0.404 1.827 1.00 12.32 H new ATOM 0 HD13 LEU A 31 11.441 -0.047 0.235 1.00 12.32 H new ATOM 0 HD21 LEU A 31 8.864 -1.386 0.711 1.00 41.35 H new ATOM 0 HD22 LEU A 31 9.864 -1.395 -0.761 1.00 41.35 H new ATOM 0 HD23 LEU A 31 9.320 -2.931 -0.045 1.00 41.35 H new ATOM 411 N ASN A 32 14.330 -4.300 -0.616 1.00 54.33 N ATOM 412 CA ASN A 32 15.416 -4.666 -1.528 1.00 75.55 C ATOM 413 C ASN A 32 15.005 -4.408 -2.978 1.00 1.13 C ATOM 414 O ASN A 32 13.823 -4.165 -3.222 1.00 41.45 O ATOM 415 CB ASN A 32 15.853 -6.122 -1.265 1.00 43.24 C ATOM 416 CG ASN A 32 17.350 -6.255 -1.016 1.00 63.25 C ATOM 417 OD1 ASN A 32 18.064 -5.290 -0.774 1.00 55.41 O ATOM 418 ND2 ASN A 32 17.871 -7.455 -1.136 1.00 15.11 N ATOM 0 H ASN A 32 13.429 -4.698 -0.881 1.00 54.33 H new ATOM 0 HA ASN A 32 16.287 -4.037 -1.342 1.00 75.55 H new ATOM 0 HB2 ASN A 32 15.310 -6.509 -0.402 1.00 43.24 H new ATOM 0 HB3 ASN A 32 15.575 -6.739 -2.119 1.00 43.24 H new ATOM 0 HD21 ASN A 32 18.877 -7.588 -1.028 1.00 15.11 H new ATOM 0 HD22 ASN A 32 17.270 -8.254 -1.338 1.00 15.11 H new ATOM 424 N PRO A 33 15.912 -4.387 -3.971 1.00 13.02 N ATOM 425 CA PRO A 33 15.543 -3.922 -5.303 1.00 3.10 C ATOM 426 C PRO A 33 14.524 -4.844 -5.980 1.00 35.50 C ATOM 427 O PRO A 33 13.678 -4.344 -6.724 1.00 23.21 O ATOM 428 CB PRO A 33 16.854 -3.764 -6.078 1.00 73.43 C ATOM 429 CG PRO A 33 17.871 -4.597 -5.312 1.00 20.22 C ATOM 430 CD PRO A 33 17.338 -4.666 -3.887 1.00 12.21 C ATOM 0 HA PRO A 33 15.023 -2.965 -5.262 1.00 3.10 H new ATOM 0 HB2 PRO A 33 16.750 -4.115 -7.105 1.00 73.43 H new ATOM 0 HB3 PRO A 33 17.159 -2.719 -6.128 1.00 73.43 H new ATOM 0 HG2 PRO A 33 17.970 -5.593 -5.744 1.00 20.22 H new ATOM 0 HG3 PRO A 33 18.859 -4.137 -5.341 1.00 20.22 H new ATOM 0 HD2 PRO A 33 17.517 -5.649 -3.452 1.00 12.21 H new ATOM 0 HD3 PRO A 33 17.840 -3.939 -3.248 1.00 12.21 H new ATOM 435 N HIS A 34 14.536 -6.144 -5.667 1.00 14.01 N ATOM 436 CA HIS A 34 13.600 -7.151 -6.168 1.00 0.01 C ATOM 437 C HIS A 34 12.506 -7.514 -5.151 1.00 75.42 C ATOM 438 O HIS A 34 11.869 -8.561 -5.300 1.00 43.42 O ATOM 439 CB HIS A 34 14.393 -8.395 -6.614 1.00 35.21 C ATOM 440 CG HIS A 34 15.018 -8.223 -7.973 1.00 71.41 C ATOM 441 ND1 HIS A 34 14.643 -8.882 -9.125 1.00 64.24 N ATOM 442 CD2 HIS A 34 15.988 -7.317 -8.305 1.00 20.31 C ATOM 443 CE1 HIS A 34 15.389 -8.389 -10.131 1.00 55.31 C ATOM 444 NE2 HIS A 34 16.189 -7.406 -9.685 1.00 60.13 N ATOM 0 H HIS A 34 15.229 -6.538 -5.030 1.00 14.01 H new ATOM 0 HA HIS A 34 13.071 -6.727 -7.022 1.00 0.01 H new ATOM 0 HB2 HIS A 34 15.173 -8.606 -5.883 1.00 35.21 H new ATOM 0 HB3 HIS A 34 13.729 -9.259 -6.630 1.00 35.21 H new ATOM 0 HD2 HIS A 34 16.504 -6.655 -7.625 1.00 20.31 H new ATOM 0 HE1 HIS A 34 15.350 -8.735 -11.153 1.00 55.31 H new ATOM 0 HE2 HIS A 34 16.821 -6.835 -10.246 1.00 60.13 H new ATOM 451 N SER A 35 12.271 -6.716 -4.103 1.00 54.25 N ATOM 452 CA SER A 35 11.162 -6.984 -3.216 1.00 0.34 C ATOM 453 C SER A 35 9.846 -6.797 -3.977 1.00 75.25 C ATOM 454 O SER A 35 9.792 -6.134 -5.019 1.00 15.44 O ATOM 455 CB SER A 35 11.293 -6.117 -1.959 1.00 20.24 C ATOM 456 OG SER A 35 11.112 -4.748 -2.237 1.00 42.12 O ATOM 0 H SER A 35 12.829 -5.897 -3.861 1.00 54.25 H new ATOM 0 HA SER A 35 11.170 -8.018 -2.872 1.00 0.34 H new ATOM 0 HB2 SER A 35 10.558 -6.437 -1.221 1.00 20.24 H new ATOM 0 HB3 SER A 35 12.277 -6.269 -1.515 1.00 20.24 H new ATOM 0 HG SER A 35 11.947 -4.372 -2.587 1.00 42.12 H new ATOM 461 N THR A 36 8.781 -7.372 -3.447 1.00 52.13 N ATOM 462 CA THR A 36 7.481 -7.429 -4.100 1.00 23.10 C ATOM 463 C THR A 36 6.413 -6.765 -3.242 1.00 71.14 C ATOM 464 O THR A 36 6.556 -6.622 -2.022 1.00 13.40 O ATOM 465 CB THR A 36 7.151 -8.895 -4.445 1.00 72.45 C ATOM 466 OG1 THR A 36 7.563 -9.783 -3.423 1.00 11.00 O ATOM 467 CG2 THR A 36 7.863 -9.266 -5.739 1.00 55.32 C ATOM 0 H THR A 36 8.794 -7.822 -2.532 1.00 52.13 H new ATOM 0 HA THR A 36 7.508 -6.866 -5.033 1.00 23.10 H new ATOM 0 HB THR A 36 6.070 -8.984 -4.552 1.00 72.45 H new ATOM 0 HG1 THR A 36 7.336 -10.702 -3.677 1.00 11.00 H new ATOM 0 HG21 THR A 36 7.638 -10.301 -5.994 1.00 55.32 H new ATOM 0 HG22 THR A 36 7.523 -8.612 -6.542 1.00 55.32 H new ATOM 0 HG23 THR A 36 8.939 -9.151 -5.608 1.00 55.32 H new ATOM 475 N MET A 37 5.318 -6.358 -3.886 1.00 20.40 N ATOM 476 CA MET A 37 4.133 -5.838 -3.208 1.00 11.21 C ATOM 477 C MET A 37 3.490 -6.938 -2.349 1.00 11.13 C ATOM 478 O MET A 37 2.753 -6.674 -1.395 1.00 73.21 O ATOM 479 CB MET A 37 3.185 -5.265 -4.277 1.00 73.04 C ATOM 480 CG MET A 37 2.058 -6.166 -4.803 1.00 20.40 C ATOM 481 SD MET A 37 1.527 -5.750 -6.498 1.00 11.51 S ATOM 482 CE MET A 37 1.273 -3.950 -6.405 1.00 63.02 C ATOM 0 H MET A 37 5.230 -6.381 -4.902 1.00 20.40 H new ATOM 0 HA MET A 37 4.390 -5.034 -2.519 1.00 11.21 H new ATOM 0 HB2 MET A 37 2.728 -4.364 -3.869 1.00 73.04 H new ATOM 0 HB3 MET A 37 3.791 -4.957 -5.129 1.00 73.04 H new ATOM 0 HG2 MET A 37 2.392 -7.203 -4.779 1.00 20.40 H new ATOM 0 HG3 MET A 37 1.201 -6.091 -4.133 1.00 20.40 H new ATOM 0 HE1 MET A 37 1.122 -3.552 -7.408 1.00 63.02 H new ATOM 0 HE2 MET A 37 0.395 -3.737 -5.794 1.00 63.02 H new ATOM 0 HE3 MET A 37 2.149 -3.482 -5.957 1.00 63.02 H new ATOM 490 N ASP A 38 3.800 -8.189 -2.698 1.00 42.55 N ATOM 491 CA ASP A 38 3.269 -9.406 -2.127 1.00 55.34 C ATOM 492 C ASP A 38 3.641 -9.556 -0.660 1.00 51.22 C ATOM 493 O ASP A 38 2.811 -10.019 0.117 1.00 0.12 O ATOM 494 CB ASP A 38 3.792 -10.605 -2.919 1.00 12.14 C ATOM 495 CG ASP A 38 2.971 -10.766 -4.179 1.00 74.04 C ATOM 496 OD1 ASP A 38 1.784 -11.148 -4.031 1.00 62.35 O ATOM 497 OD2 ASP A 38 3.474 -10.431 -5.273 1.00 41.11 O ATOM 0 H ASP A 38 4.475 -8.379 -3.438 1.00 42.55 H new ATOM 0 HA ASP A 38 2.182 -9.360 -2.186 1.00 55.34 H new ATOM 0 HB2 ASP A 38 4.842 -10.459 -3.171 1.00 12.14 H new ATOM 0 HB3 ASP A 38 3.732 -11.510 -2.314 1.00 12.14 H new ATOM 501 N SER A 39 4.855 -9.128 -0.299 1.00 34.01 N ATOM 502 CA SER A 39 5.417 -9.062 1.042 1.00 63.32 C ATOM 503 C SER A 39 4.496 -8.307 1.998 1.00 31.34 C ATOM 504 O SER A 39 4.441 -8.621 3.187 1.00 42.12 O ATOM 505 CB SER A 39 6.790 -8.371 0.904 1.00 1.03 C ATOM 506 OG SER A 39 7.702 -8.685 1.936 1.00 55.34 O ATOM 0 H SER A 39 5.518 -8.793 -0.998 1.00 34.01 H new ATOM 0 HA SER A 39 5.528 -10.059 1.470 1.00 63.32 H new ATOM 0 HB2 SER A 39 7.231 -8.651 -0.053 1.00 1.03 H new ATOM 0 HB3 SER A 39 6.641 -7.292 0.882 1.00 1.03 H new ATOM 0 HG SER A 39 8.547 -8.213 1.781 1.00 55.34 H new ATOM 511 N ILE A 40 3.756 -7.322 1.491 1.00 53.24 N ATOM 512 CA ILE A 40 2.788 -6.587 2.276 1.00 12.33 C ATOM 513 C ILE A 40 1.470 -7.375 2.258 1.00 15.44 C ATOM 514 O ILE A 40 0.897 -7.640 3.313 1.00 62.34 O ATOM 515 CB ILE A 40 2.665 -5.138 1.752 1.00 2.22 C ATOM 516 CG1 ILE A 40 3.998 -4.346 1.738 1.00 22.32 C ATOM 517 CG2 ILE A 40 1.682 -4.353 2.632 1.00 35.44 C ATOM 518 CD1 ILE A 40 4.859 -4.516 0.477 1.00 62.04 C ATOM 0 H ILE A 40 3.818 -7.017 0.520 1.00 53.24 H new ATOM 0 HA ILE A 40 3.101 -6.490 3.316 1.00 12.33 H new ATOM 0 HB ILE A 40 2.324 -5.235 0.721 1.00 2.22 H new ATOM 0 HG12 ILE A 40 3.772 -3.287 1.861 1.00 22.32 H new ATOM 0 HG13 ILE A 40 4.589 -4.649 2.603 1.00 22.32 H new ATOM 0 HG21 ILE A 40 1.597 -3.332 2.261 1.00 35.44 H new ATOM 0 HG22 ILE A 40 0.704 -4.833 2.602 1.00 35.44 H new ATOM 0 HG23 ILE A 40 2.047 -4.336 3.659 1.00 35.44 H new ATOM 0 HD11 ILE A 40 5.766 -3.920 0.573 1.00 62.04 H new ATOM 0 HD12 ILE A 40 5.126 -5.566 0.358 1.00 62.04 H new ATOM 0 HD13 ILE A 40 4.296 -4.183 -0.395 1.00 62.04 H new ATOM 529 N LEU A 41 0.986 -7.760 1.069 1.00 63.01 N ATOM 530 CA LEU A 41 -0.333 -8.374 0.908 1.00 60.35 C ATOM 531 C LEU A 41 -0.499 -9.594 1.808 1.00 44.22 C ATOM 532 O LEU A 41 -1.444 -9.649 2.593 1.00 33.10 O ATOM 533 CB LEU A 41 -0.612 -8.760 -0.553 1.00 54.41 C ATOM 534 CG LEU A 41 -0.854 -7.565 -1.488 1.00 61.41 C ATOM 535 CD1 LEU A 41 -0.910 -8.062 -2.925 1.00 24.33 C ATOM 536 CD2 LEU A 41 -2.164 -6.816 -1.195 1.00 71.33 C ATOM 0 H LEU A 41 1.500 -7.653 0.194 1.00 63.01 H new ATOM 0 HA LEU A 41 -1.062 -7.620 1.207 1.00 60.35 H new ATOM 0 HB2 LEU A 41 0.232 -9.337 -0.931 1.00 54.41 H new ATOM 0 HB3 LEU A 41 -1.484 -9.413 -0.584 1.00 54.41 H new ATOM 0 HG LEU A 41 -0.030 -6.870 -1.324 1.00 61.41 H new ATOM 0 HD11 LEU A 41 -1.082 -7.219 -3.595 1.00 24.33 H new ATOM 0 HD12 LEU A 41 0.034 -8.543 -3.181 1.00 24.33 H new ATOM 0 HD13 LEU A 41 -1.723 -8.780 -3.030 1.00 24.33 H new ATOM 0 HD21 LEU A 41 -2.271 -5.985 -1.892 1.00 71.33 H new ATOM 0 HD22 LEU A 41 -3.007 -7.498 -1.311 1.00 71.33 H new ATOM 0 HD23 LEU A 41 -2.144 -6.434 -0.174 1.00 71.33 H new ATOM 547 N GLY A 42 0.416 -10.557 1.697 1.00 3.33 N ATOM 548 CA GLY A 42 0.202 -11.888 2.236 1.00 40.45 C ATOM 549 C GLY A 42 0.161 -11.923 3.760 1.00 75.01 C ATOM 550 O GLY A 42 -0.478 -12.820 4.305 1.00 14.24 O ATOM 0 H GLY A 42 1.316 -10.433 1.234 1.00 3.33 H new ATOM 0 HA2 GLY A 42 -0.735 -12.284 1.845 1.00 40.45 H new ATOM 0 HA3 GLY A 42 0.997 -12.546 1.886 1.00 40.45 H new ATOM 554 N ALA A 43 0.813 -10.975 4.448 1.00 75.21 N ATOM 555 CA ALA A 43 0.720 -10.889 5.902 1.00 40.23 C ATOM 556 C ALA A 43 -0.636 -10.311 6.295 1.00 44.33 C ATOM 557 O ALA A 43 -1.338 -10.894 7.119 1.00 3.50 O ATOM 558 CB ALA A 43 1.852 -10.029 6.490 1.00 72.31 C ATOM 0 H ALA A 43 1.405 -10.264 4.019 1.00 75.21 H new ATOM 0 HA ALA A 43 0.822 -11.895 6.310 1.00 40.23 H new ATOM 0 HB1 ALA A 43 1.751 -9.987 7.575 1.00 72.31 H new ATOM 0 HB2 ALA A 43 2.815 -10.469 6.232 1.00 72.31 H new ATOM 0 HB3 ALA A 43 1.793 -9.020 6.081 1.00 72.31 H new ATOM 564 N LEU A 44 -0.973 -9.134 5.755 1.00 4.31 N ATOM 565 CA LEU A 44 -2.011 -8.293 6.347 1.00 74.25 C ATOM 566 C LEU A 44 -3.408 -8.631 5.831 1.00 23.32 C ATOM 567 O LEU A 44 -4.377 -8.066 6.329 1.00 71.13 O ATOM 568 CB LEU A 44 -1.700 -6.794 6.150 1.00 1.53 C ATOM 569 CG LEU A 44 -0.467 -6.212 6.884 1.00 51.53 C ATOM 570 CD1 LEU A 44 -0.069 -6.958 8.165 1.00 2.21 C ATOM 571 CD2 LEU A 44 0.767 -6.088 5.993 1.00 44.32 C ATOM 0 H LEU A 44 -0.543 -8.747 4.915 1.00 4.31 H new ATOM 0 HA LEU A 44 -2.007 -8.507 7.416 1.00 74.25 H new ATOM 0 HB2 LEU A 44 -1.570 -6.616 5.083 1.00 1.53 H new ATOM 0 HB3 LEU A 44 -2.576 -6.226 6.463 1.00 1.53 H new ATOM 0 HG LEU A 44 -0.812 -5.218 7.168 1.00 51.53 H new ATOM 0 HD11 LEU A 44 0.804 -6.479 8.609 1.00 2.21 H new ATOM 0 HD12 LEU A 44 -0.897 -6.932 8.873 1.00 2.21 H new ATOM 0 HD13 LEU A 44 0.170 -7.994 7.924 1.00 2.21 H new ATOM 0 HD21 LEU A 44 1.593 -5.674 6.571 1.00 44.32 H new ATOM 0 HD22 LEU A 44 1.045 -7.073 5.617 1.00 44.32 H new ATOM 0 HD23 LEU A 44 0.545 -5.429 5.154 1.00 44.32 H new ATOM 582 N ALA A 45 -3.517 -9.527 4.845 1.00 0.14 N ATOM 583 CA ALA A 45 -4.747 -9.855 4.138 1.00 1.40 C ATOM 584 C ALA A 45 -5.997 -9.974 5.033 1.00 71.23 C ATOM 585 O ALA A 45 -6.931 -9.207 4.797 1.00 24.01 O ATOM 586 CB ALA A 45 -4.518 -11.068 3.232 1.00 20.42 C ATOM 0 H ALA A 45 -2.716 -10.062 4.509 1.00 0.14 H new ATOM 0 HA ALA A 45 -4.991 -9.000 3.508 1.00 1.40 H new ATOM 0 HB1 ALA A 45 -5.442 -11.309 2.706 1.00 20.42 H new ATOM 0 HB2 ALA A 45 -3.737 -10.839 2.507 1.00 20.42 H new ATOM 0 HB3 ALA A 45 -4.212 -11.922 3.837 1.00 20.42 H new ATOM 592 N PRO A 46 -6.069 -10.866 6.041 1.00 64.23 N ATOM 593 CA PRO A 46 -7.271 -11.008 6.861 1.00 60.21 C ATOM 594 C PRO A 46 -7.554 -9.781 7.734 1.00 42.11 C ATOM 595 O PRO A 46 -8.711 -9.502 8.044 1.00 35.30 O ATOM 596 CB PRO A 46 -7.048 -12.258 7.721 1.00 44.41 C ATOM 597 CG PRO A 46 -5.528 -12.378 7.777 1.00 73.11 C ATOM 598 CD PRO A 46 -5.081 -11.864 6.416 1.00 72.15 C ATOM 0 HA PRO A 46 -8.149 -11.101 6.222 1.00 60.21 H new ATOM 0 HB2 PRO A 46 -7.480 -12.144 8.715 1.00 44.41 H new ATOM 0 HB3 PRO A 46 -7.505 -13.141 7.274 1.00 44.41 H new ATOM 0 HG2 PRO A 46 -5.108 -11.784 8.588 1.00 73.11 H new ATOM 0 HG3 PRO A 46 -5.212 -13.408 7.940 1.00 73.11 H new ATOM 0 HD2 PRO A 46 -4.083 -11.429 6.468 1.00 72.15 H new ATOM 0 HD3 PRO A 46 -5.040 -12.671 5.685 1.00 72.15 H new ATOM 603 N TYR A 47 -6.526 -9.038 8.145 1.00 43.21 N ATOM 604 CA TYR A 47 -6.655 -7.894 9.045 1.00 23.13 C ATOM 605 C TYR A 47 -7.115 -6.636 8.296 1.00 4.43 C ATOM 606 O TYR A 47 -7.256 -5.580 8.921 1.00 63.13 O ATOM 607 CB TYR A 47 -5.339 -7.667 9.812 1.00 1.24 C ATOM 608 CG TYR A 47 -4.514 -8.901 10.149 1.00 42.31 C ATOM 609 CD1 TYR A 47 -5.107 -10.056 10.696 1.00 72.13 C ATOM 610 CD2 TYR A 47 -3.135 -8.894 9.879 1.00 40.55 C ATOM 611 CE1 TYR A 47 -4.339 -11.214 10.916 1.00 71.45 C ATOM 612 CE2 TYR A 47 -2.359 -10.043 10.092 1.00 11.53 C ATOM 613 CZ TYR A 47 -2.962 -11.218 10.589 1.00 52.42 C ATOM 614 OH TYR A 47 -2.211 -12.344 10.727 1.00 33.30 O ATOM 0 H TYR A 47 -5.564 -9.218 7.856 1.00 43.21 H new ATOM 0 HA TYR A 47 -7.432 -8.117 9.777 1.00 23.13 H new ATOM 0 HB2 TYR A 47 -4.716 -6.993 9.224 1.00 1.24 H new ATOM 0 HB3 TYR A 47 -5.574 -7.152 10.743 1.00 1.24 H new ATOM 0 HD1 TYR A 47 -6.157 -10.052 10.948 1.00 72.13 H new ATOM 0 HD2 TYR A 47 -2.668 -7.995 9.504 1.00 40.55 H new ATOM 0 HE1 TYR A 47 -4.799 -12.098 11.333 1.00 71.45 H new ATOM 0 HE2 TYR A 47 -1.301 -10.028 9.876 1.00 11.53 H new ATOM 0 HH TYR A 47 -1.289 -12.158 10.453 1.00 33.30 H new ATOM 623 N ALA A 48 -7.322 -6.719 6.978 1.00 52.54 N ATOM 624 CA ALA A 48 -7.509 -5.591 6.082 1.00 62.45 C ATOM 625 C ALA A 48 -8.496 -5.922 4.958 1.00 20.41 C ATOM 626 O ALA A 48 -8.940 -7.062 4.791 1.00 31.22 O ATOM 627 CB ALA A 48 -6.127 -5.222 5.515 1.00 14.52 C ATOM 0 H ALA A 48 -7.364 -7.615 6.493 1.00 52.54 H new ATOM 0 HA ALA A 48 -7.937 -4.749 6.625 1.00 62.45 H new ATOM 0 HB1 ALA A 48 -6.227 -4.376 4.835 1.00 14.52 H new ATOM 0 HB2 ALA A 48 -5.458 -4.954 6.333 1.00 14.52 H new ATOM 0 HB3 ALA A 48 -5.716 -6.075 4.975 1.00 14.52 H new ATOM 633 N VAL A 49 -8.796 -4.928 4.131 1.00 73.43 N ATOM 634 CA VAL A 49 -9.559 -5.010 2.902 1.00 55.55 C ATOM 635 C VAL A 49 -8.807 -4.206 1.840 1.00 15.40 C ATOM 636 O VAL A 49 -9.115 -3.050 1.546 1.00 32.44 O ATOM 637 CB VAL A 49 -11.030 -4.627 3.152 1.00 64.11 C ATOM 638 CG1 VAL A 49 -11.245 -3.253 3.796 1.00 13.13 C ATOM 639 CG2 VAL A 49 -11.839 -4.764 1.854 1.00 22.20 C ATOM 0 H VAL A 49 -8.487 -3.975 4.321 1.00 73.43 H new ATOM 0 HA VAL A 49 -9.636 -6.026 2.515 1.00 55.55 H new ATOM 0 HB VAL A 49 -11.395 -5.335 3.896 1.00 64.11 H new ATOM 0 HG11 VAL A 49 -12.312 -3.077 3.930 1.00 13.13 H new ATOM 0 HG12 VAL A 49 -10.748 -3.224 4.765 1.00 13.13 H new ATOM 0 HG13 VAL A 49 -10.828 -2.480 3.151 1.00 13.13 H new ATOM 0 HG21 VAL A 49 -12.877 -4.491 2.042 1.00 22.20 H new ATOM 0 HG22 VAL A 49 -11.422 -4.103 1.094 1.00 22.20 H new ATOM 0 HG23 VAL A 49 -11.793 -5.795 1.504 1.00 22.20 H new ATOM 649 N LEU A 50 -7.768 -4.811 1.266 1.00 64.15 N ATOM 650 CA LEU A 50 -6.949 -4.164 0.246 1.00 34.11 C ATOM 651 C LEU A 50 -6.343 -5.162 -0.724 1.00 21.14 C ATOM 652 O LEU A 50 -6.349 -6.370 -0.485 1.00 31.30 O ATOM 653 CB LEU A 50 -5.889 -3.255 0.874 1.00 54.53 C ATOM 654 CG LEU A 50 -5.002 -3.809 1.991 1.00 55.45 C ATOM 655 CD1 LEU A 50 -3.968 -4.834 1.511 1.00 11.31 C ATOM 656 CD2 LEU A 50 -4.276 -2.594 2.564 1.00 34.12 C ATOM 0 H LEU A 50 -7.472 -5.760 1.495 1.00 64.15 H new ATOM 0 HA LEU A 50 -7.612 -3.530 -0.342 1.00 34.11 H new ATOM 0 HB2 LEU A 50 -5.234 -2.912 0.073 1.00 54.53 H new ATOM 0 HB3 LEU A 50 -6.400 -2.376 1.266 1.00 54.53 H new ATOM 0 HG LEU A 50 -5.620 -4.339 2.715 1.00 55.45 H new ATOM 0 HD11 LEU A 50 -3.378 -5.180 2.360 1.00 11.31 H new ATOM 0 HD12 LEU A 50 -4.480 -5.681 1.055 1.00 11.31 H new ATOM 0 HD13 LEU A 50 -3.310 -4.370 0.776 1.00 11.31 H new ATOM 0 HD21 LEU A 50 -3.618 -2.911 3.373 1.00 34.12 H new ATOM 0 HD22 LEU A 50 -3.685 -2.120 1.780 1.00 34.12 H new ATOM 0 HD23 LEU A 50 -5.006 -1.882 2.948 1.00 34.12 H new ATOM 667 N SER A 51 -5.790 -4.629 -1.806 1.00 20.22 N ATOM 668 CA SER A 51 -5.196 -5.375 -2.898 1.00 75.21 C ATOM 669 C SER A 51 -4.076 -4.521 -3.493 1.00 61.44 C ATOM 670 O SER A 51 -3.709 -3.481 -2.933 1.00 0.13 O ATOM 671 CB SER A 51 -6.297 -5.719 -3.913 1.00 64.13 C ATOM 672 OG SER A 51 -5.851 -6.712 -4.811 1.00 62.45 O ATOM 0 H SER A 51 -5.743 -3.620 -1.949 1.00 20.22 H new ATOM 0 HA SER A 51 -4.759 -6.318 -2.569 1.00 75.21 H new ATOM 0 HB2 SER A 51 -7.187 -6.068 -3.389 1.00 64.13 H new ATOM 0 HB3 SER A 51 -6.583 -4.824 -4.465 1.00 64.13 H new ATOM 0 HG SER A 51 -6.565 -6.920 -5.449 1.00 62.45 H new ATOM 677 N SER A 52 -3.523 -4.937 -4.633 1.00 34.12 N ATOM 678 CA SER A 52 -2.448 -4.233 -5.316 1.00 43.55 C ATOM 679 C SER A 52 -2.822 -2.785 -5.674 1.00 31.10 C ATOM 680 O SER A 52 -1.937 -1.936 -5.756 1.00 44.43 O ATOM 681 CB SER A 52 -2.003 -5.067 -6.522 1.00 13.13 C ATOM 682 OG SER A 52 -3.088 -5.426 -7.358 1.00 22.40 O ATOM 0 H SER A 52 -3.818 -5.788 -5.112 1.00 34.12 H new ATOM 0 HA SER A 52 -1.599 -4.127 -4.640 1.00 43.55 H new ATOM 0 HB2 SER A 52 -1.272 -4.503 -7.101 1.00 13.13 H new ATOM 0 HB3 SER A 52 -1.503 -5.970 -6.172 1.00 13.13 H new ATOM 0 HG SER A 52 -2.757 -5.955 -8.114 1.00 22.40 H new ATOM 687 N SER A 53 -4.118 -2.466 -5.788 1.00 51.41 N ATOM 688 CA SER A 53 -4.630 -1.104 -5.918 1.00 4.52 C ATOM 689 C SER A 53 -4.144 -0.146 -4.822 1.00 34.13 C ATOM 690 O SER A 53 -4.034 1.061 -5.050 1.00 4.11 O ATOM 691 CB SER A 53 -6.153 -1.162 -5.851 1.00 53.45 C ATOM 692 OG SER A 53 -6.660 -1.693 -7.053 1.00 35.13 O ATOM 0 H SER A 53 -4.856 -3.170 -5.792 1.00 51.41 H new ATOM 0 HA SER A 53 -4.259 -0.716 -6.867 1.00 4.52 H new ATOM 0 HB2 SER A 53 -6.467 -1.779 -5.009 1.00 53.45 H new ATOM 0 HB3 SER A 53 -6.558 -0.164 -5.684 1.00 53.45 H new ATOM 0 HG SER A 53 -7.638 -1.731 -7.007 1.00 35.13 H new ATOM 697 N ASN A 54 -3.943 -0.649 -3.606 1.00 53.42 N ATOM 698 CA ASN A 54 -3.479 0.143 -2.472 1.00 55.15 C ATOM 699 C ASN A 54 -1.966 0.306 -2.542 1.00 23.40 C ATOM 700 O ASN A 54 -1.458 1.426 -2.463 1.00 63.42 O ATOM 701 CB ASN A 54 -3.852 -0.525 -1.145 1.00 73.01 C ATOM 702 CG ASN A 54 -5.351 -0.541 -0.918 1.00 1.23 C ATOM 703 OD1 ASN A 54 -6.083 -1.217 -1.637 1.00 14.34 O ATOM 704 ND2 ASN A 54 -5.826 0.183 0.073 1.00 22.13 N ATOM 0 H ASN A 54 -4.100 -1.631 -3.379 1.00 53.42 H new ATOM 0 HA ASN A 54 -3.962 1.119 -2.520 1.00 55.15 H new ATOM 0 HB2 ASN A 54 -3.473 -1.547 -1.135 1.00 73.01 H new ATOM 0 HB3 ASN A 54 -3.367 0.003 -0.324 1.00 73.01 H new ATOM 0 HD21 ASN A 54 -6.828 0.194 0.262 1.00 22.13 H new ATOM 0 HD22 ASN A 54 -5.192 0.734 0.652 1.00 22.13 H new ATOM 710 N VAL A 55 -1.256 -0.824 -2.615 1.00 23.32 N ATOM 711 CA VAL A 55 0.183 -0.954 -2.414 1.00 22.02 C ATOM 712 C VAL A 55 0.943 -0.563 -3.690 1.00 61.01 C ATOM 713 O VAL A 55 1.298 -1.370 -4.549 1.00 12.43 O ATOM 714 CB VAL A 55 0.501 -2.343 -1.823 1.00 44.13 C ATOM 715 CG1 VAL A 55 -0.058 -3.484 -2.663 1.00 63.13 C ATOM 716 CG2 VAL A 55 1.997 -2.545 -1.561 1.00 34.11 C ATOM 0 H VAL A 55 -1.697 -1.719 -2.828 1.00 23.32 H new ATOM 0 HA VAL A 55 0.546 -0.246 -1.669 1.00 22.02 H new ATOM 0 HB VAL A 55 -0.008 -2.368 -0.859 1.00 44.13 H new ATOM 0 HG11 VAL A 55 0.197 -4.437 -2.198 1.00 63.13 H new ATOM 0 HG12 VAL A 55 -1.142 -3.391 -2.728 1.00 63.13 H new ATOM 0 HG13 VAL A 55 0.371 -3.443 -3.664 1.00 63.13 H new ATOM 0 HG21 VAL A 55 2.163 -3.539 -1.146 1.00 34.11 H new ATOM 0 HG22 VAL A 55 2.547 -2.447 -2.497 1.00 34.11 H new ATOM 0 HG23 VAL A 55 2.347 -1.793 -0.854 1.00 34.11 H new ATOM 726 N ARG A 56 1.194 0.731 -3.807 1.00 1.14 N ATOM 727 CA ARG A 56 1.824 1.329 -4.970 1.00 61.11 C ATOM 728 C ARG A 56 3.341 1.247 -4.876 1.00 40.12 C ATOM 729 O ARG A 56 3.970 2.086 -4.225 1.00 11.21 O ATOM 730 CB ARG A 56 1.327 2.769 -5.152 1.00 41.45 C ATOM 731 CG ARG A 56 1.551 3.251 -6.596 1.00 72.33 C ATOM 732 CD ARG A 56 0.692 2.417 -7.570 1.00 21.33 C ATOM 733 NE ARG A 56 0.249 3.161 -8.762 1.00 74.35 N ATOM 734 CZ ARG A 56 -0.867 2.895 -9.455 1.00 64.04 C ATOM 735 NH1 ARG A 56 -1.597 1.820 -9.178 1.00 42.25 N ATOM 736 NH2 ARG A 56 -1.266 3.718 -10.420 1.00 51.11 N ATOM 0 H ARG A 56 0.960 1.408 -3.080 1.00 1.14 H new ATOM 0 HA ARG A 56 1.539 0.765 -5.858 1.00 61.11 H new ATOM 0 HB2 ARG A 56 0.267 2.825 -4.906 1.00 41.45 H new ATOM 0 HB3 ARG A 56 1.850 3.428 -4.459 1.00 41.45 H new ATOM 0 HG2 ARG A 56 1.291 4.306 -6.680 1.00 72.33 H new ATOM 0 HG3 ARG A 56 2.605 3.161 -6.859 1.00 72.33 H new ATOM 0 HD2 ARG A 56 1.264 1.546 -7.889 1.00 21.33 H new ATOM 0 HD3 ARG A 56 -0.184 2.045 -7.039 1.00 21.33 H new ATOM 0 HE ARG A 56 0.833 3.933 -9.083 1.00 74.35 H new ATOM 0 HH11 ARG A 56 -1.310 1.187 -8.431 1.00 42.25 H new ATOM 0 HH12 ARG A 56 -2.444 1.628 -9.712 1.00 42.25 H new ATOM 0 HH21 ARG A 56 -0.722 4.554 -10.634 1.00 51.11 H new ATOM 0 HH22 ARG A 56 -2.116 3.513 -10.946 1.00 51.11 H new ATOM 747 N VAL A 57 3.928 0.249 -5.532 1.00 23.34 N ATOM 748 CA VAL A 57 5.366 0.036 -5.514 1.00 33.20 C ATOM 749 C VAL A 57 6.031 1.172 -6.289 1.00 31.41 C ATOM 750 O VAL A 57 5.939 1.257 -7.514 1.00 42.15 O ATOM 751 CB VAL A 57 5.723 -1.354 -6.070 1.00 32.40 C ATOM 752 CG1 VAL A 57 7.245 -1.538 -6.068 1.00 72.12 C ATOM 753 CG2 VAL A 57 5.095 -2.462 -5.215 1.00 60.22 C ATOM 0 H VAL A 57 3.416 -0.434 -6.091 1.00 23.34 H new ATOM 0 HA VAL A 57 5.740 0.051 -4.490 1.00 33.20 H new ATOM 0 HB VAL A 57 5.335 -1.421 -7.086 1.00 32.40 H new ATOM 0 HG11 VAL A 57 7.493 -2.523 -6.462 1.00 72.12 H new ATOM 0 HG12 VAL A 57 7.705 -0.771 -6.692 1.00 72.12 H new ATOM 0 HG13 VAL A 57 7.621 -1.450 -5.049 1.00 72.12 H new ATOM 0 HG21 VAL A 57 5.361 -3.435 -5.628 1.00 60.22 H new ATOM 0 HG22 VAL A 57 5.466 -2.387 -4.193 1.00 60.22 H new ATOM 0 HG23 VAL A 57 4.011 -2.352 -5.216 1.00 60.22 H new ATOM 763 N ILE A 58 6.677 2.090 -5.580 1.00 22.03 N ATOM 764 CA ILE A 58 7.423 3.182 -6.184 1.00 63.04 C ATOM 765 C ILE A 58 8.770 2.648 -6.680 1.00 74.01 C ATOM 766 O ILE A 58 9.665 2.308 -5.900 1.00 32.42 O ATOM 767 CB ILE A 58 7.536 4.380 -5.211 1.00 31.41 C ATOM 768 CG1 ILE A 58 6.221 4.688 -4.455 1.00 51.21 C ATOM 769 CG2 ILE A 58 7.990 5.635 -5.974 1.00 34.33 C ATOM 770 CD1 ILE A 58 5.007 4.962 -5.357 1.00 73.43 C ATOM 0 H ILE A 58 6.697 2.095 -4.560 1.00 22.03 H new ATOM 0 HA ILE A 58 6.893 3.574 -7.052 1.00 63.04 H new ATOM 0 HB ILE A 58 8.275 4.096 -4.461 1.00 31.41 H new ATOM 0 HG12 ILE A 58 5.988 3.847 -3.802 1.00 51.21 H new ATOM 0 HG13 ILE A 58 6.382 5.554 -3.813 1.00 51.21 H new ATOM 0 HG21 ILE A 58 8.067 6.474 -5.282 1.00 34.33 H new ATOM 0 HG22 ILE A 58 8.962 5.451 -6.431 1.00 34.33 H new ATOM 0 HG23 ILE A 58 7.263 5.871 -6.751 1.00 34.33 H new ATOM 0 HD11 ILE A 58 4.133 5.167 -4.739 1.00 73.43 H new ATOM 0 HD12 ILE A 58 5.213 5.824 -5.992 1.00 73.43 H new ATOM 0 HD13 ILE A 58 4.813 4.090 -5.981 1.00 73.43 H new ATOM 781 N LYS A 59 8.890 2.537 -8.003 1.00 23.23 N ATOM 782 CA LYS A 59 10.061 1.996 -8.679 1.00 60.52 C ATOM 783 C LYS A 59 10.942 3.129 -9.173 1.00 13.43 C ATOM 784 O LYS A 59 10.464 4.244 -9.425 1.00 64.35 O ATOM 785 CB LYS A 59 9.642 1.085 -9.846 1.00 23.42 C ATOM 786 CG LYS A 59 8.751 -0.060 -9.348 1.00 13.34 C ATOM 787 CD LYS A 59 8.404 -1.108 -10.413 1.00 64.12 C ATOM 788 CE LYS A 59 7.554 -0.537 -11.555 1.00 40.32 C ATOM 789 NZ LYS A 59 7.000 -1.597 -12.420 1.00 20.23 N ATOM 0 H LYS A 59 8.155 2.829 -8.647 1.00 23.23 H new ATOM 0 HA LYS A 59 10.629 1.394 -7.970 1.00 60.52 H new ATOM 0 HB2 LYS A 59 9.107 1.669 -10.595 1.00 23.42 H new ATOM 0 HB3 LYS A 59 10.528 0.677 -10.332 1.00 23.42 H new ATOM 0 HG2 LYS A 59 9.251 -0.557 -8.517 1.00 13.34 H new ATOM 0 HG3 LYS A 59 7.825 0.361 -8.956 1.00 13.34 H new ATOM 0 HD2 LYS A 59 9.325 -1.521 -10.824 1.00 64.12 H new ATOM 0 HD3 LYS A 59 7.867 -1.932 -9.944 1.00 64.12 H new ATOM 0 HE2 LYS A 59 6.738 0.053 -11.138 1.00 40.32 H new ATOM 0 HE3 LYS A 59 8.162 0.139 -12.156 1.00 40.32 H new ATOM 0 HZ1 LYS A 59 6.433 -1.166 -13.178 1.00 20.23 H new ATOM 0 HZ2 LYS A 59 7.778 -2.145 -12.839 1.00 20.23 H new ATOM 0 HZ3 LYS A 59 6.398 -2.228 -11.853 1.00 20.23 H new ATOM 799 N ASP A 60 12.227 2.844 -9.333 1.00 61.24 N ATOM 800 CA ASP A 60 13.151 3.713 -10.043 1.00 15.32 C ATOM 801 C ASP A 60 12.689 3.810 -11.490 1.00 33.53 C ATOM 802 O ASP A 60 12.123 2.858 -12.034 1.00 72.53 O ATOM 803 CB ASP A 60 14.571 3.152 -9.923 1.00 14.32 C ATOM 804 CG ASP A 60 15.550 3.936 -10.800 1.00 33.54 C ATOM 805 OD1 ASP A 60 15.391 5.165 -10.920 1.00 33.43 O ATOM 806 OD2 ASP A 60 16.445 3.286 -11.386 1.00 73.52 O ATOM 0 H ASP A 60 12.660 1.995 -8.970 1.00 61.24 H new ATOM 0 HA ASP A 60 13.164 4.716 -9.616 1.00 15.32 H new ATOM 0 HB2 ASP A 60 14.895 3.195 -8.883 1.00 14.32 H new ATOM 0 HB3 ASP A 60 14.576 2.102 -10.216 1.00 14.32 H new ATOM 810 N LYS A 61 12.870 4.977 -12.104 1.00 40.42 N ATOM 811 CA LYS A 61 12.513 5.203 -13.482 1.00 34.33 C ATOM 812 C LYS A 61 13.595 4.622 -14.388 1.00 41.44 C ATOM 813 O LYS A 61 13.242 4.020 -15.400 1.00 54.45 O ATOM 814 CB LYS A 61 12.284 6.699 -13.693 1.00 11.44 C ATOM 815 CG LYS A 61 11.962 7.066 -15.148 1.00 20.41 C ATOM 816 CD LYS A 61 10.751 6.314 -15.735 1.00 21.43 C ATOM 817 CE LYS A 61 10.348 6.882 -17.103 1.00 71.41 C ATOM 818 NZ LYS A 61 9.181 7.785 -17.032 1.00 21.24 N ATOM 0 H LYS A 61 13.273 5.794 -11.645 1.00 40.42 H new ATOM 0 HA LYS A 61 11.584 4.695 -13.740 1.00 34.33 H new ATOM 0 HB2 LYS A 61 11.465 7.028 -13.053 1.00 11.44 H new ATOM 0 HB3 LYS A 61 13.174 7.244 -13.377 1.00 11.44 H new ATOM 0 HG2 LYS A 61 11.774 8.138 -15.208 1.00 20.41 H new ATOM 0 HG3 LYS A 61 12.837 6.861 -15.765 1.00 20.41 H new ATOM 0 HD2 LYS A 61 10.992 5.256 -15.835 1.00 21.43 H new ATOM 0 HD3 LYS A 61 9.908 6.385 -15.047 1.00 21.43 H new ATOM 0 HE2 LYS A 61 11.193 7.422 -17.529 1.00 71.41 H new ATOM 0 HE3 LYS A 61 10.122 6.058 -17.780 1.00 71.41 H new ATOM 0 HZ1 LYS A 61 8.956 8.137 -17.984 1.00 21.24 H new ATOM 0 HZ2 LYS A 61 8.363 7.266 -16.652 1.00 21.24 H new ATOM 0 HZ3 LYS A 61 9.401 8.588 -16.409 1.00 21.24 H new ATOM 828 N GLN A 62 14.874 4.794 -14.030 1.00 60.45 N ATOM 829 CA GLN A 62 16.002 4.444 -14.885 1.00 64.25 C ATOM 830 C GLN A 62 16.047 2.934 -15.090 1.00 20.50 C ATOM 831 O GLN A 62 16.199 2.454 -16.215 1.00 12.40 O ATOM 832 CB GLN A 62 17.327 4.929 -14.282 1.00 62.15 C ATOM 833 CG GLN A 62 17.300 6.372 -13.761 1.00 2.12 C ATOM 834 CD GLN A 62 18.671 6.843 -13.284 1.00 55.34 C ATOM 835 OE1 GLN A 62 19.715 6.420 -13.773 1.00 13.02 O ATOM 836 NE2 GLN A 62 18.725 7.818 -12.393 1.00 41.45 N ATOM 0 H GLN A 62 15.151 5.184 -13.129 1.00 60.45 H new ATOM 0 HA GLN A 62 15.866 4.938 -15.847 1.00 64.25 H new ATOM 0 HB2 GLN A 62 17.603 4.266 -13.462 1.00 62.15 H new ATOM 0 HB3 GLN A 62 18.108 4.844 -15.038 1.00 62.15 H new ATOM 0 HG2 GLN A 62 16.946 7.034 -14.551 1.00 2.12 H new ATOM 0 HG3 GLN A 62 16.587 6.446 -12.940 1.00 2.12 H new ATOM 0 HE21 GLN A 62 17.865 8.179 -11.979 1.00 41.45 H new ATOM 0 HE22 GLN A 62 19.626 8.210 -12.120 1.00 41.45 H new ATOM 843 N THR A 63 15.919 2.198 -13.991 1.00 33.30 N ATOM 844 CA THR A 63 15.960 0.748 -13.930 1.00 51.05 C ATOM 845 C THR A 63 14.528 0.234 -13.773 1.00 0.43 C ATOM 846 O THR A 63 13.566 0.960 -14.035 1.00 4.03 O ATOM 847 CB THR A 63 16.944 0.321 -12.818 1.00 75.35 C ATOM 848 OG1 THR A 63 16.511 0.704 -11.528 1.00 41.21 O ATOM 849 CG2 THR A 63 18.330 0.929 -13.033 1.00 1.40 C ATOM 0 H THR A 63 15.777 2.622 -13.074 1.00 33.30 H new ATOM 0 HA THR A 63 16.344 0.295 -14.844 1.00 51.05 H new ATOM 0 HB THR A 63 16.986 -0.767 -12.878 1.00 75.35 H new ATOM 0 HG1 THR A 63 16.822 1.613 -11.335 1.00 41.21 H new ATOM 0 HG21 THR A 63 18.996 0.608 -12.233 1.00 1.40 H new ATOM 0 HG22 THR A 63 18.728 0.597 -13.992 1.00 1.40 H new ATOM 0 HG23 THR A 63 18.255 2.016 -13.028 1.00 1.40 H new ATOM 857 N GLN A 64 14.360 -1.034 -13.393 1.00 61.45 N ATOM 858 CA GLN A 64 13.062 -1.634 -13.112 1.00 4.40 C ATOM 859 C GLN A 64 13.096 -2.216 -11.697 1.00 42.13 C ATOM 860 O GLN A 64 12.798 -3.392 -11.491 1.00 0.34 O ATOM 861 CB GLN A 64 12.730 -2.679 -14.195 1.00 73.12 C ATOM 862 CG GLN A 64 12.555 -2.067 -15.594 1.00 72.34 C ATOM 863 CD GLN A 64 11.278 -1.234 -15.689 1.00 74.32 C ATOM 864 OE1 GLN A 64 10.164 -1.753 -15.766 1.00 23.24 O ATOM 865 NE2 GLN A 64 11.396 0.077 -15.619 1.00 42.23 N ATOM 0 H GLN A 64 15.139 -1.681 -13.271 1.00 61.45 H new ATOM 0 HA GLN A 64 12.263 -0.893 -13.145 1.00 4.40 H new ATOM 0 HB2 GLN A 64 13.525 -3.424 -14.228 1.00 73.12 H new ATOM 0 HB3 GLN A 64 11.815 -3.202 -13.917 1.00 73.12 H new ATOM 0 HG2 GLN A 64 13.416 -1.441 -15.828 1.00 72.34 H new ATOM 0 HG3 GLN A 64 12.527 -2.863 -16.339 1.00 72.34 H new ATOM 0 HE21 GLN A 64 12.321 0.503 -15.555 1.00 42.23 H new ATOM 0 HE22 GLN A 64 10.563 0.665 -15.628 1.00 42.23 H new ATOM 872 N LEU A 65 13.523 -1.414 -10.719 1.00 31.31 N ATOM 873 CA LEU A 65 13.797 -1.845 -9.349 1.00 11.40 C ATOM 874 C LEU A 65 12.991 -0.984 -8.384 1.00 71.33 C ATOM 875 O LEU A 65 12.571 0.115 -8.746 1.00 64.11 O ATOM 876 CB LEU A 65 15.297 -1.723 -9.041 1.00 54.41 C ATOM 877 CG LEU A 65 16.228 -2.492 -9.997 1.00 32.14 C ATOM 878 CD1 LEU A 65 17.674 -2.235 -9.585 1.00 43.32 C ATOM 879 CD2 LEU A 65 15.948 -4.001 -10.059 1.00 63.14 C ATOM 0 H LEU A 65 13.692 -0.419 -10.864 1.00 31.31 H new ATOM 0 HA LEU A 65 13.508 -2.890 -9.234 1.00 11.40 H new ATOM 0 HB2 LEU A 65 15.571 -0.668 -9.063 1.00 54.41 H new ATOM 0 HB3 LEU A 65 15.473 -2.077 -8.025 1.00 54.41 H new ATOM 0 HG LEU A 65 16.037 -2.120 -11.004 1.00 32.14 H new ATOM 0 HD11 LEU A 65 18.344 -2.774 -10.254 1.00 43.32 H new ATOM 0 HD12 LEU A 65 17.885 -1.167 -9.643 1.00 43.32 H new ATOM 0 HD13 LEU A 65 17.828 -2.580 -8.562 1.00 43.32 H new ATOM 0 HD21 LEU A 65 16.644 -4.472 -10.753 1.00 63.14 H new ATOM 0 HD22 LEU A 65 16.074 -4.436 -9.067 1.00 63.14 H new ATOM 0 HD23 LEU A 65 14.926 -4.168 -10.401 1.00 63.14 H new ATOM 890 N ASN A 66 12.793 -1.460 -7.155 1.00 71.31 N ATOM 891 CA ASN A 66 12.135 -0.677 -6.101 1.00 12.33 C ATOM 892 C ASN A 66 13.043 0.494 -5.706 1.00 22.24 C ATOM 893 O ASN A 66 14.265 0.391 -5.823 1.00 62.43 O ATOM 894 CB ASN A 66 11.918 -1.524 -4.832 1.00 62.33 C ATOM 895 CG ASN A 66 10.854 -2.597 -4.903 1.00 35.14 C ATOM 896 OD1 ASN A 66 9.738 -2.381 -4.455 1.00 11.33 O ATOM 897 ND2 ASN A 66 11.164 -3.760 -5.442 1.00 44.31 N ATOM 0 H ASN A 66 13.081 -2.393 -6.860 1.00 71.31 H new ATOM 0 HA ASN A 66 11.175 -0.336 -6.489 1.00 12.33 H new ATOM 0 HB2 ASN A 66 12.864 -2.000 -4.575 1.00 62.33 H new ATOM 0 HB3 ASN A 66 11.667 -0.850 -4.012 1.00 62.33 H new ATOM 0 HD21 ASN A 66 10.466 -4.502 -5.491 1.00 44.31 H new ATOM 0 HD22 ASN A 66 12.102 -3.918 -5.810 1.00 44.31 H new ATOM 903 N ARG A 67 12.496 1.574 -5.134 1.00 73.43 N ATOM 904 CA ARG A 67 13.293 2.712 -4.640 1.00 0.04 C ATOM 905 C ARG A 67 13.748 2.571 -3.184 1.00 72.34 C ATOM 906 O ARG A 67 14.313 3.520 -2.640 1.00 14.04 O ATOM 907 CB ARG A 67 12.542 4.037 -4.899 1.00 2.32 C ATOM 908 CG ARG A 67 12.850 4.482 -6.332 1.00 42.22 C ATOM 909 CD ARG A 67 11.955 5.589 -6.903 1.00 22.50 C ATOM 910 NE ARG A 67 11.827 6.812 -6.093 1.00 11.12 N ATOM 911 CZ ARG A 67 12.773 7.673 -5.695 1.00 64.55 C ATOM 912 NH1 ARG A 67 14.056 7.454 -5.951 1.00 12.21 N ATOM 913 NH2 ARG A 67 12.386 8.747 -5.021 1.00 34.20 N ATOM 0 H ARG A 67 11.491 1.687 -4.999 1.00 73.43 H new ATOM 0 HA ARG A 67 14.222 2.720 -5.210 1.00 0.04 H new ATOM 0 HB2 ARG A 67 11.469 3.900 -4.765 1.00 2.32 H new ATOM 0 HB3 ARG A 67 12.857 4.800 -4.187 1.00 2.32 H new ATOM 0 HG2 ARG A 67 13.884 4.824 -6.370 1.00 42.22 H new ATOM 0 HG3 ARG A 67 12.777 3.612 -6.984 1.00 42.22 H new ATOM 0 HD2 ARG A 67 12.340 5.868 -7.884 1.00 22.50 H new ATOM 0 HD3 ARG A 67 10.958 5.176 -7.058 1.00 22.50 H new ATOM 0 HE ARG A 67 10.879 7.037 -5.791 1.00 11.12 H new ATOM 0 HH11 ARG A 67 14.339 6.617 -6.460 1.00 12.21 H new ATOM 0 HH12 ARG A 67 14.760 8.123 -5.639 1.00 12.21 H new ATOM 0 HH21 ARG A 67 11.397 8.895 -4.822 1.00 34.20 H new ATOM 0 HH22 ARG A 67 13.078 9.425 -4.701 1.00 34.20 H new ATOM 924 N GLY A 68 13.543 1.430 -2.530 1.00 14.42 N ATOM 925 CA GLY A 68 13.826 1.292 -1.104 1.00 74.12 C ATOM 926 C GLY A 68 12.786 2.011 -0.252 1.00 15.10 C ATOM 927 O GLY A 68 13.020 2.258 0.934 1.00 4.01 O ATOM 0 H GLY A 68 13.180 0.583 -2.968 1.00 14.42 H new ATOM 0 HA2 GLY A 68 13.848 0.235 -0.838 1.00 74.12 H new ATOM 0 HA3 GLY A 68 14.815 1.695 -0.888 1.00 74.12 H new ATOM 931 N PHE A 69 11.614 2.300 -0.822 1.00 15.23 N ATOM 932 CA PHE A 69 10.394 2.498 -0.063 1.00 61.23 C ATOM 933 C PHE A 69 9.213 1.957 -0.866 1.00 12.30 C ATOM 934 O PHE A 69 9.390 1.479 -1.992 1.00 33.00 O ATOM 935 CB PHE A 69 10.239 3.958 0.333 1.00 55.35 C ATOM 936 CG PHE A 69 9.922 4.927 -0.787 1.00 43.42 C ATOM 937 CD1 PHE A 69 10.913 5.346 -1.697 1.00 13.10 C ATOM 938 CD2 PHE A 69 8.624 5.453 -0.879 1.00 0.41 C ATOM 939 CE1 PHE A 69 10.604 6.317 -2.668 1.00 14.24 C ATOM 940 CE2 PHE A 69 8.327 6.449 -1.818 1.00 23.32 C ATOM 941 CZ PHE A 69 9.317 6.883 -2.716 1.00 71.15 C ATOM 0 H PHE A 69 11.492 2.402 -1.830 1.00 15.23 H new ATOM 0 HA PHE A 69 10.434 1.941 0.873 1.00 61.23 H new ATOM 0 HB2 PHE A 69 9.448 4.028 1.080 1.00 55.35 H new ATOM 0 HB3 PHE A 69 11.162 4.282 0.815 1.00 55.35 H new ATOM 0 HD1 PHE A 69 11.906 4.924 -1.650 1.00 13.10 H new ATOM 0 HD2 PHE A 69 7.849 5.087 -0.221 1.00 0.41 H new ATOM 0 HE1 PHE A 69 11.356 6.628 -3.378 1.00 14.24 H new ATOM 0 HE2 PHE A 69 7.339 6.883 -1.852 1.00 23.32 H new ATOM 0 HZ PHE A 69 9.090 7.650 -3.442 1.00 71.15 H new ATOM 950 N ALA A 70 8.021 2.033 -0.285 1.00 33.43 N ATOM 951 CA ALA A 70 6.745 1.751 -0.925 1.00 20.20 C ATOM 952 C ALA A 70 5.715 2.737 -0.383 1.00 42.44 C ATOM 953 O ALA A 70 5.956 3.363 0.651 1.00 61.04 O ATOM 954 CB ALA A 70 6.317 0.310 -0.618 1.00 44.44 C ATOM 0 H ALA A 70 7.915 2.306 0.692 1.00 33.43 H new ATOM 0 HA ALA A 70 6.829 1.859 -2.006 1.00 20.20 H new ATOM 0 HB1 ALA A 70 5.361 0.104 -1.099 1.00 44.44 H new ATOM 0 HB2 ALA A 70 7.070 -0.382 -0.996 1.00 44.44 H new ATOM 0 HB3 ALA A 70 6.215 0.182 0.460 1.00 44.44 H new ATOM 960 N PHE A 71 4.557 2.822 -1.040 1.00 40.51 N ATOM 961 CA PHE A 71 3.395 3.559 -0.558 1.00 74.43 C ATOM 962 C PHE A 71 2.198 2.615 -0.444 1.00 60.24 C ATOM 963 O PHE A 71 2.109 1.635 -1.192 1.00 22.34 O ATOM 964 CB PHE A 71 3.060 4.717 -1.508 1.00 32.44 C ATOM 965 CG PHE A 71 3.686 6.061 -1.177 1.00 13.31 C ATOM 966 CD1 PHE A 71 3.557 6.595 0.117 1.00 4.30 C ATOM 967 CD2 PHE A 71 4.317 6.833 -2.169 1.00 43.23 C ATOM 968 CE1 PHE A 71 4.087 7.858 0.421 1.00 3.50 C ATOM 969 CE2 PHE A 71 4.853 8.098 -1.868 1.00 0.21 C ATOM 970 CZ PHE A 71 4.753 8.607 -0.563 1.00 71.22 C ATOM 0 H PHE A 71 4.401 2.370 -1.941 1.00 40.51 H new ATOM 0 HA PHE A 71 3.624 3.973 0.424 1.00 74.43 H new ATOM 0 HB2 PHE A 71 3.369 4.434 -2.514 1.00 32.44 H new ATOM 0 HB3 PHE A 71 1.977 4.840 -1.529 1.00 32.44 H new ATOM 0 HD1 PHE A 71 3.046 6.029 0.882 1.00 4.30 H new ATOM 0 HD2 PHE A 71 4.391 6.449 -3.176 1.00 43.23 H new ATOM 0 HE1 PHE A 71 3.982 8.257 1.419 1.00 3.50 H new ATOM 0 HE2 PHE A 71 5.340 8.677 -2.639 1.00 0.21 H new ATOM 0 HZ PHE A 71 5.185 9.566 -0.318 1.00 71.22 H new ATOM 979 N ILE A 72 1.257 2.930 0.447 1.00 15.52 N ATOM 980 CA ILE A 72 -0.041 2.272 0.561 1.00 13.13 C ATOM 981 C ILE A 72 -1.063 3.361 0.918 1.00 23.11 C ATOM 982 O ILE A 72 -0.849 4.109 1.872 1.00 62.31 O ATOM 983 CB ILE A 72 -0.031 1.164 1.640 1.00 24.20 C ATOM 984 CG1 ILE A 72 1.122 0.144 1.527 1.00 13.34 C ATOM 985 CG2 ILE A 72 -1.365 0.395 1.596 1.00 33.10 C ATOM 986 CD1 ILE A 72 1.232 -0.740 2.777 1.00 53.21 C ATOM 0 H ILE A 72 1.384 3.676 1.131 1.00 15.52 H new ATOM 0 HA ILE A 72 -0.295 1.783 -0.379 1.00 13.13 H new ATOM 0 HB ILE A 72 0.117 1.688 2.584 1.00 24.20 H new ATOM 0 HG12 ILE A 72 0.965 -0.485 0.651 1.00 13.34 H new ATOM 0 HG13 ILE A 72 2.062 0.675 1.374 1.00 13.34 H new ATOM 0 HG21 ILE A 72 -1.360 -0.386 2.356 1.00 33.10 H new ATOM 0 HG22 ILE A 72 -2.188 1.083 1.789 1.00 33.10 H new ATOM 0 HG23 ILE A 72 -1.492 -0.057 0.612 1.00 33.10 H new ATOM 0 HD11 ILE A 72 2.056 -1.443 2.654 1.00 53.21 H new ATOM 0 HD12 ILE A 72 1.416 -0.114 3.650 1.00 53.21 H new ATOM 0 HD13 ILE A 72 0.302 -1.292 2.915 1.00 53.21 H new ATOM 997 N GLN A 73 -2.161 3.452 0.167 1.00 23.34 N ATOM 998 CA GLN A 73 -3.292 4.347 0.422 1.00 64.01 C ATOM 999 C GLN A 73 -4.338 3.649 1.273 1.00 74.03 C ATOM 1000 O GLN A 73 -4.662 2.497 0.984 1.00 63.21 O ATOM 1001 CB GLN A 73 -3.899 4.694 -0.941 1.00 73.15 C ATOM 1002 CG GLN A 73 -5.134 5.610 -0.932 1.00 4.34 C ATOM 1003 CD GLN A 73 -5.904 5.482 -2.245 1.00 35.02 C ATOM 1004 OE1 GLN A 73 -6.218 4.371 -2.681 1.00 55.22 O ATOM 1005 NE2 GLN A 73 -6.226 6.583 -2.901 1.00 20.43 N ATOM 0 H GLN A 73 -2.293 2.882 -0.669 1.00 23.34 H new ATOM 0 HA GLN A 73 -2.961 5.239 0.954 1.00 64.01 H new ATOM 0 HB2 GLN A 73 -3.127 5.169 -1.547 1.00 73.15 H new ATOM 0 HB3 GLN A 73 -4.169 3.764 -1.441 1.00 73.15 H new ATOM 0 HG2 GLN A 73 -5.783 5.348 -0.096 1.00 4.34 H new ATOM 0 HG3 GLN A 73 -4.826 6.645 -0.784 1.00 4.34 H new ATOM 0 HE21 GLN A 73 -5.960 7.495 -2.529 1.00 20.43 H new ATOM 0 HE22 GLN A 73 -6.741 6.521 -3.780 1.00 20.43 H new ATOM 1012 N LEU A 74 -4.883 4.347 2.274 1.00 33.20 N ATOM 1013 CA LEU A 74 -5.941 3.879 3.159 1.00 35.11 C ATOM 1014 C LEU A 74 -6.471 5.063 3.970 1.00 73.05 C ATOM 1015 O LEU A 74 -5.704 5.986 4.251 1.00 22.21 O ATOM 1016 CB LEU A 74 -5.445 2.740 4.075 1.00 42.23 C ATOM 1017 CG LEU A 74 -4.152 2.839 4.890 1.00 53.21 C ATOM 1018 CD1 LEU A 74 -4.043 1.577 5.758 1.00 53.23 C ATOM 1019 CD2 LEU A 74 -2.902 2.857 4.008 1.00 21.40 C ATOM 0 H LEU A 74 -4.581 5.296 2.495 1.00 33.20 H new ATOM 0 HA LEU A 74 -6.753 3.465 2.561 1.00 35.11 H new ATOM 0 HB2 LEU A 74 -6.247 2.541 4.786 1.00 42.23 H new ATOM 0 HB3 LEU A 74 -5.350 1.854 3.447 1.00 42.23 H new ATOM 0 HG LEU A 74 -4.198 3.764 5.465 1.00 53.21 H new ATOM 0 HD11 LEU A 74 -3.129 1.621 6.350 1.00 53.23 H new ATOM 0 HD12 LEU A 74 -4.904 1.518 6.423 1.00 53.23 H new ATOM 0 HD13 LEU A 74 -4.018 0.696 5.117 1.00 53.23 H new ATOM 0 HD21 LEU A 74 -2.014 2.928 4.636 1.00 21.40 H new ATOM 0 HD22 LEU A 74 -2.858 1.940 3.420 1.00 21.40 H new ATOM 0 HD23 LEU A 74 -2.942 3.716 3.338 1.00 21.40 H new ATOM 1030 N SER A 75 -7.757 5.044 4.345 1.00 12.52 N ATOM 1031 CA SER A 75 -8.377 6.107 5.141 1.00 33.43 C ATOM 1032 C SER A 75 -7.674 6.264 6.491 1.00 61.21 C ATOM 1033 O SER A 75 -7.097 5.308 7.010 1.00 52.42 O ATOM 1034 CB SER A 75 -9.859 5.793 5.394 1.00 21.04 C ATOM 1035 OG SER A 75 -10.652 5.997 4.243 1.00 12.40 O ATOM 0 H SER A 75 -8.397 4.288 4.103 1.00 12.52 H new ATOM 0 HA SER A 75 -8.285 7.035 4.576 1.00 33.43 H new ATOM 0 HB2 SER A 75 -9.958 4.759 5.723 1.00 21.04 H new ATOM 0 HB3 SER A 75 -10.229 6.422 6.204 1.00 21.04 H new ATOM 0 HG SER A 75 -11.586 5.784 4.448 1.00 12.40 H new ATOM 1040 N THR A 76 -7.812 7.430 7.127 1.00 74.41 N ATOM 1041 CA THR A 76 -7.133 7.759 8.381 1.00 12.11 C ATOM 1042 C THR A 76 -7.380 6.740 9.502 1.00 63.45 C ATOM 1043 O THR A 76 -6.497 6.537 10.337 1.00 24.23 O ATOM 1044 CB THR A 76 -7.539 9.156 8.881 1.00 53.44 C ATOM 1045 OG1 THR A 76 -7.921 10.019 7.837 1.00 53.33 O ATOM 1046 CG2 THR A 76 -6.370 9.832 9.594 1.00 60.04 C ATOM 0 H THR A 76 -8.407 8.182 6.780 1.00 74.41 H new ATOM 0 HA THR A 76 -6.069 7.736 8.143 1.00 12.11 H new ATOM 0 HB THR A 76 -8.384 8.991 9.550 1.00 53.44 H new ATOM 0 HG1 THR A 76 -8.170 10.891 8.208 1.00 53.33 H new ATOM 0 HG21 THR A 76 -6.677 10.819 9.940 1.00 60.04 H new ATOM 0 HG22 THR A 76 -6.065 9.226 10.447 1.00 60.04 H new ATOM 0 HG23 THR A 76 -5.533 9.934 8.904 1.00 60.04 H new ATOM 1054 N ILE A 77 -8.559 6.108 9.538 1.00 12.11 N ATOM 1055 CA ILE A 77 -8.882 5.033 10.474 1.00 24.33 C ATOM 1056 C ILE A 77 -7.811 3.950 10.354 1.00 20.42 C ATOM 1057 O ILE A 77 -7.121 3.625 11.321 1.00 63.24 O ATOM 1058 CB ILE A 77 -10.297 4.476 10.186 1.00 14.43 C ATOM 1059 CG1 ILE A 77 -11.374 5.542 10.484 1.00 11.10 C ATOM 1060 CG2 ILE A 77 -10.555 3.194 11.004 1.00 42.22 C ATOM 1061 CD1 ILE A 77 -12.709 5.237 9.802 1.00 31.01 C ATOM 0 H ILE A 77 -9.326 6.336 8.905 1.00 12.11 H new ATOM 0 HA ILE A 77 -8.891 5.410 11.497 1.00 24.33 H new ATOM 0 HB ILE A 77 -10.355 4.221 9.128 1.00 14.43 H new ATOM 0 HG12 ILE A 77 -11.527 5.607 11.561 1.00 11.10 H new ATOM 0 HG13 ILE A 77 -11.016 6.517 10.154 1.00 11.10 H new ATOM 0 HG21 ILE A 77 -11.555 2.819 10.787 1.00 42.22 H new ATOM 0 HG22 ILE A 77 -9.818 2.437 10.737 1.00 42.22 H new ATOM 0 HG23 ILE A 77 -10.475 3.419 12.068 1.00 42.22 H new ATOM 0 HD11 ILE A 77 -13.429 6.018 10.046 1.00 31.01 H new ATOM 0 HD12 ILE A 77 -12.566 5.200 8.722 1.00 31.01 H new ATOM 0 HD13 ILE A 77 -13.085 4.275 10.152 1.00 31.01 H new ATOM 1072 N GLU A 78 -7.671 3.402 9.152 1.00 63.41 N ATOM 1073 CA GLU A 78 -6.840 2.247 8.911 1.00 52.41 C ATOM 1074 C GLU A 78 -5.369 2.646 8.831 1.00 41.11 C ATOM 1075 O GLU A 78 -4.522 1.924 9.351 1.00 22.01 O ATOM 1076 CB GLU A 78 -7.322 1.508 7.663 1.00 41.43 C ATOM 1077 CG GLU A 78 -8.793 1.097 7.806 1.00 40.33 C ATOM 1078 CD GLU A 78 -9.184 0.008 6.811 1.00 63.14 C ATOM 1079 OE1 GLU A 78 -8.676 0.001 5.672 1.00 73.14 O ATOM 1080 OE2 GLU A 78 -9.989 -0.876 7.193 1.00 42.54 O ATOM 0 H GLU A 78 -8.138 3.756 8.317 1.00 63.41 H new ATOM 0 HA GLU A 78 -6.927 1.556 9.750 1.00 52.41 H new ATOM 0 HB2 GLU A 78 -7.202 2.147 6.788 1.00 41.43 H new ATOM 0 HB3 GLU A 78 -6.707 0.623 7.499 1.00 41.43 H new ATOM 0 HG2 GLU A 78 -8.973 0.742 8.821 1.00 40.33 H new ATOM 0 HG3 GLU A 78 -9.429 1.970 7.656 1.00 40.33 H new ATOM 1085 N ALA A 79 -5.061 3.820 8.264 1.00 0.24 N ATOM 1086 CA ALA A 79 -3.698 4.289 8.087 1.00 41.21 C ATOM 1087 C ALA A 79 -3.064 4.443 9.472 1.00 60.32 C ATOM 1088 O ALA A 79 -1.859 4.292 9.658 1.00 15.12 O ATOM 1089 CB ALA A 79 -3.682 5.661 7.390 1.00 43.31 C ATOM 0 H ALA A 79 -5.765 4.471 7.915 1.00 0.24 H new ATOM 0 HA ALA A 79 -3.149 3.574 7.474 1.00 41.21 H new ATOM 0 HB1 ALA A 79 -2.652 5.995 7.267 1.00 43.31 H new ATOM 0 HB2 ALA A 79 -4.156 5.578 6.412 1.00 43.31 H new ATOM 0 HB3 ALA A 79 -4.227 6.384 7.997 1.00 43.31 H new ATOM 1095 N ALA A 80 -3.899 4.808 10.449 1.00 14.12 N ATOM 1096 CA ALA A 80 -3.553 4.795 11.842 1.00 60.25 C ATOM 1097 C ALA A 80 -3.465 3.365 12.393 1.00 0.13 C ATOM 1098 O ALA A 80 -2.376 2.909 12.739 1.00 15.30 O ATOM 1099 CB ALA A 80 -4.546 5.655 12.623 1.00 61.03 C ATOM 0 H ALA A 80 -4.852 5.125 10.272 1.00 14.12 H new ATOM 0 HA ALA A 80 -2.558 5.224 11.962 1.00 60.25 H new ATOM 0 HB1 ALA A 80 -4.283 5.645 13.681 1.00 61.03 H new ATOM 0 HB2 ALA A 80 -4.512 6.679 12.251 1.00 61.03 H new ATOM 0 HB3 ALA A 80 -5.552 5.256 12.496 1.00 61.03 H new ATOM 1105 N GLN A 81 -4.602 2.667 12.524 1.00 31.41 N ATOM 1106 CA GLN A 81 -4.720 1.515 13.411 1.00 40.23 C ATOM 1107 C GLN A 81 -3.798 0.363 13.008 1.00 73.13 C ATOM 1108 O GLN A 81 -3.326 -0.353 13.894 1.00 44.32 O ATOM 1109 CB GLN A 81 -6.196 1.071 13.515 1.00 22.33 C ATOM 1110 CG GLN A 81 -6.644 0.132 12.384 1.00 34.44 C ATOM 1111 CD GLN A 81 -8.134 -0.226 12.385 1.00 73.01 C ATOM 1112 OE1 GLN A 81 -8.806 -0.197 13.417 1.00 24.42 O ATOM 1113 NE2 GLN A 81 -8.670 -0.613 11.236 1.00 23.20 N ATOM 0 H GLN A 81 -5.459 2.889 12.018 1.00 31.41 H new ATOM 0 HA GLN A 81 -4.385 1.824 14.401 1.00 40.23 H new ATOM 0 HB2 GLN A 81 -6.348 0.571 14.471 1.00 22.33 H new ATOM 0 HB3 GLN A 81 -6.833 1.956 13.513 1.00 22.33 H new ATOM 0 HG2 GLN A 81 -6.399 0.597 11.429 1.00 34.44 H new ATOM 0 HG3 GLN A 81 -6.065 -0.789 12.448 1.00 34.44 H new ATOM 0 HE21 GLN A 81 -8.102 -0.632 10.389 1.00 23.20 H new ATOM 0 HE22 GLN A 81 -9.651 -0.892 11.199 1.00 23.20 H new ATOM 1120 N LEU A 82 -3.561 0.192 11.698 1.00 34.40 N ATOM 1121 CA LEU A 82 -2.785 -0.917 11.154 1.00 24.04 C ATOM 1122 C LEU A 82 -1.389 -0.866 11.754 1.00 53.25 C ATOM 1123 O LEU A 82 -0.900 -1.876 12.247 1.00 34.44 O ATOM 1124 CB LEU A 82 -2.720 -0.858 9.608 1.00 40.42 C ATOM 1125 CG LEU A 82 -3.827 -1.631 8.853 1.00 13.31 C ATOM 1126 CD1 LEU A 82 -3.527 -3.133 8.791 1.00 1.43 C ATOM 1127 CD2 LEU A 82 -5.244 -1.417 9.401 1.00 75.03 C ATOM 0 H LEU A 82 -3.910 0.831 10.984 1.00 34.40 H new ATOM 0 HA LEU A 82 -3.269 -1.858 11.415 1.00 24.04 H new ATOM 0 HB2 LEU A 82 -2.761 0.187 9.302 1.00 40.42 H new ATOM 0 HB3 LEU A 82 -1.752 -1.245 9.290 1.00 40.42 H new ATOM 0 HG LEU A 82 -3.812 -1.206 7.849 1.00 13.31 H new ATOM 0 HD11 LEU A 82 -4.327 -3.642 8.253 1.00 1.43 H new ATOM 0 HD12 LEU A 82 -2.582 -3.294 8.273 1.00 1.43 H new ATOM 0 HD13 LEU A 82 -3.459 -3.532 9.803 1.00 1.43 H new ATOM 0 HD21 LEU A 82 -5.954 -1.997 8.811 1.00 75.03 H new ATOM 0 HD22 LEU A 82 -5.285 -1.742 10.440 1.00 75.03 H new ATOM 0 HD23 LEU A 82 -5.501 -0.359 9.341 1.00 75.03 H new ATOM 1138 N LEU A 83 -0.769 0.320 11.775 1.00 40.35 N ATOM 1139 CA LEU A 83 0.597 0.504 12.248 1.00 53.22 C ATOM 1140 C LEU A 83 0.798 -0.158 13.609 1.00 2.23 C ATOM 1141 O LEU A 83 1.799 -0.839 13.794 1.00 61.31 O ATOM 1142 CB LEU A 83 0.916 2.005 12.320 1.00 40.35 C ATOM 1143 CG LEU A 83 2.379 2.317 12.693 1.00 33.01 C ATOM 1144 CD1 LEU A 83 3.386 1.750 11.687 1.00 20.01 C ATOM 1145 CD2 LEU A 83 2.559 3.837 12.741 1.00 62.33 C ATOM 0 H LEU A 83 -1.211 1.184 11.460 1.00 40.35 H new ATOM 0 HA LEU A 83 1.281 0.027 11.546 1.00 53.22 H new ATOM 0 HB2 LEU A 83 0.693 2.460 11.355 1.00 40.35 H new ATOM 0 HB3 LEU A 83 0.257 2.471 13.053 1.00 40.35 H new ATOM 0 HG LEU A 83 2.573 1.849 13.658 1.00 33.01 H new ATOM 0 HD11 LEU A 83 4.398 2.002 12.004 1.00 20.01 H new ATOM 0 HD12 LEU A 83 3.281 0.666 11.638 1.00 20.01 H new ATOM 0 HD13 LEU A 83 3.197 2.178 10.702 1.00 20.01 H new ATOM 0 HD21 LEU A 83 3.590 4.073 13.004 1.00 62.33 H new ATOM 0 HD22 LEU A 83 2.327 4.262 11.764 1.00 62.33 H new ATOM 0 HD23 LEU A 83 1.888 4.259 13.489 1.00 62.33 H new ATOM 1156 N GLN A 84 -0.153 -0.004 14.532 1.00 15.13 N ATOM 1157 CA GLN A 84 -0.009 -0.472 15.902 1.00 52.24 C ATOM 1158 C GLN A 84 -0.132 -2.000 16.019 1.00 11.44 C ATOM 1159 O GLN A 84 0.344 -2.579 16.995 1.00 31.30 O ATOM 1160 CB GLN A 84 -1.066 0.241 16.763 1.00 34.13 C ATOM 1161 CG GLN A 84 -0.615 0.385 18.223 1.00 34.02 C ATOM 1162 CD GLN A 84 -1.689 1.047 19.080 1.00 52.35 C ATOM 1163 OE1 GLN A 84 -2.424 0.377 19.806 1.00 3.33 O ATOM 1164 NE2 GLN A 84 -1.842 2.359 18.995 1.00 24.32 N ATOM 0 H GLN A 84 -1.046 0.451 14.345 1.00 15.13 H new ATOM 0 HA GLN A 84 0.993 -0.230 16.256 1.00 52.24 H new ATOM 0 HB2 GLN A 84 -1.267 1.228 16.347 1.00 34.13 H new ATOM 0 HB3 GLN A 84 -2.001 -0.318 16.726 1.00 34.13 H new ATOM 0 HG2 GLN A 84 -0.379 -0.598 18.630 1.00 34.02 H new ATOM 0 HG3 GLN A 84 0.300 0.976 18.265 1.00 34.02 H new ATOM 0 HE21 GLN A 84 -1.228 2.906 18.391 1.00 24.32 H new ATOM 0 HE22 GLN A 84 -2.573 2.823 19.534 1.00 24.32 H new ATOM 1171 N ILE A 85 -0.784 -2.660 15.060 1.00 53.53 N ATOM 1172 CA ILE A 85 -0.910 -4.117 14.993 1.00 73.32 C ATOM 1173 C ILE A 85 0.365 -4.675 14.347 1.00 31.20 C ATOM 1174 O ILE A 85 0.907 -5.702 14.765 1.00 2.51 O ATOM 1175 CB ILE A 85 -2.182 -4.483 14.195 1.00 73.02 C ATOM 1176 CG1 ILE A 85 -3.439 -3.928 14.905 1.00 40.12 C ATOM 1177 CG2 ILE A 85 -2.306 -6.012 14.021 1.00 12.10 C ATOM 1178 CD1 ILE A 85 -4.677 -3.939 14.012 1.00 1.11 C ATOM 0 H ILE A 85 -1.251 -2.184 14.289 1.00 53.53 H new ATOM 0 HA ILE A 85 -1.015 -4.556 15.985 1.00 73.32 H new ATOM 0 HB ILE A 85 -2.102 -4.031 13.207 1.00 73.02 H new ATOM 0 HG12 ILE A 85 -3.636 -4.519 15.799 1.00 40.12 H new ATOM 0 HG13 ILE A 85 -3.244 -2.908 15.235 1.00 40.12 H new ATOM 0 HG21 ILE A 85 -3.209 -6.242 13.456 1.00 12.10 H new ATOM 0 HG22 ILE A 85 -1.436 -6.389 13.483 1.00 12.10 H new ATOM 0 HG23 ILE A 85 -2.360 -6.486 15.001 1.00 12.10 H new ATOM 0 HD11 ILE A 85 -5.527 -3.538 14.564 1.00 1.11 H new ATOM 0 HD12 ILE A 85 -4.495 -3.325 13.130 1.00 1.11 H new ATOM 0 HD13 ILE A 85 -4.894 -4.962 13.703 1.00 1.11 H new ATOM 1189 N LEU A 86 0.851 -3.976 13.320 1.00 52.22 N ATOM 1190 CA LEU A 86 1.955 -4.388 12.465 1.00 55.52 C ATOM 1191 C LEU A 86 3.282 -4.452 13.214 1.00 53.35 C ATOM 1192 O LEU A 86 4.146 -5.242 12.843 1.00 43.22 O ATOM 1193 CB LEU A 86 2.051 -3.412 11.285 1.00 1.24 C ATOM 1194 CG LEU A 86 1.404 -3.978 10.016 1.00 34.30 C ATOM 1195 CD1 LEU A 86 -0.111 -4.162 10.148 1.00 22.10 C ATOM 1196 CD2 LEU A 86 1.687 -3.031 8.853 1.00 74.01 C ATOM 0 H LEU A 86 0.467 -3.069 13.054 1.00 52.22 H new ATOM 0 HA LEU A 86 1.754 -5.398 12.109 1.00 55.52 H new ATOM 0 HB2 LEU A 86 1.566 -2.473 11.551 1.00 1.24 H new ATOM 0 HB3 LEU A 86 3.099 -3.185 11.087 1.00 1.24 H new ATOM 0 HG LEU A 86 1.836 -4.964 9.844 1.00 34.30 H new ATOM 0 HD11 LEU A 86 -0.511 -4.565 9.218 1.00 22.10 H new ATOM 0 HD12 LEU A 86 -0.324 -4.852 10.964 1.00 22.10 H new ATOM 0 HD13 LEU A 86 -0.578 -3.199 10.356 1.00 22.10 H new ATOM 0 HD21 LEU A 86 1.231 -3.424 7.944 1.00 74.01 H new ATOM 0 HD22 LEU A 86 1.269 -2.049 9.073 1.00 74.01 H new ATOM 0 HD23 LEU A 86 2.764 -2.943 8.710 1.00 74.01 H new ATOM 1207 N GLN A 87 3.428 -3.676 14.291 1.00 24.43 N ATOM 1208 CA GLN A 87 4.602 -3.647 15.164 1.00 51.41 C ATOM 1209 C GLN A 87 4.936 -4.999 15.799 1.00 54.31 C ATOM 1210 O GLN A 87 5.986 -5.117 16.439 1.00 21.42 O ATOM 1211 CB GLN A 87 4.352 -2.626 16.284 1.00 62.22 C ATOM 1212 CG GLN A 87 4.395 -1.190 15.762 1.00 60.24 C ATOM 1213 CD GLN A 87 5.791 -0.667 15.447 1.00 15.50 C ATOM 1214 OE1 GLN A 87 6.817 -1.208 15.856 1.00 4.24 O ATOM 1215 NE2 GLN A 87 5.842 0.378 14.645 1.00 64.05 N ATOM 0 H GLN A 87 2.702 -3.025 14.590 1.00 24.43 H new ATOM 0 HA GLN A 87 5.453 -3.375 14.540 1.00 51.41 H new ATOM 0 HB2 GLN A 87 3.381 -2.818 16.741 1.00 62.22 H new ATOM 0 HB3 GLN A 87 5.102 -2.752 17.065 1.00 62.22 H new ATOM 0 HG2 GLN A 87 3.787 -1.128 14.860 1.00 60.24 H new ATOM 0 HG3 GLN A 87 3.935 -0.535 16.502 1.00 60.24 H new ATOM 0 HE21 GLN A 87 4.979 0.812 14.317 1.00 64.05 H new ATOM 0 HE22 GLN A 87 6.744 0.753 14.352 1.00 64.05 H new ATOM 1222 N ALA A 88 4.065 -6.000 15.654 1.00 33.14 N ATOM 1223 CA ALA A 88 4.129 -7.259 16.370 1.00 15.23 C ATOM 1224 C ALA A 88 4.205 -8.463 15.425 1.00 23.32 C ATOM 1225 O ALA A 88 4.130 -9.594 15.916 1.00 21.31 O ATOM 1226 CB ALA A 88 2.921 -7.338 17.312 1.00 44.33 C ATOM 0 H ALA A 88 3.274 -5.947 15.013 1.00 33.14 H new ATOM 0 HA ALA A 88 5.049 -7.296 16.954 1.00 15.23 H new ATOM 0 HB1 ALA A 88 2.949 -8.279 17.862 1.00 44.33 H new ATOM 0 HB2 ALA A 88 2.953 -6.506 18.015 1.00 44.33 H new ATOM 0 HB3 ALA A 88 2.001 -7.286 16.729 1.00 44.33 H new ATOM 1232 N LEU A 89 4.332 -8.270 14.104 1.00 42.54 N ATOM 1233 CA LEU A 89 4.404 -9.359 13.126 1.00 41.33 C ATOM 1234 C LEU A 89 5.433 -9.068 12.032 1.00 73.14 C ATOM 1235 O LEU A 89 5.870 -7.921 11.890 1.00 21.32 O ATOM 1236 CB LEU A 89 2.998 -9.657 12.562 1.00 24.21 C ATOM 1237 CG LEU A 89 2.438 -8.594 11.585 1.00 75.42 C ATOM 1238 CD1 LEU A 89 2.561 -9.045 10.131 1.00 42.33 C ATOM 1239 CD2 LEU A 89 0.967 -8.289 11.895 1.00 53.41 C ATOM 0 H LEU A 89 4.388 -7.343 13.683 1.00 42.54 H new ATOM 0 HA LEU A 89 4.754 -10.261 13.629 1.00 41.33 H new ATOM 0 HB2 LEU A 89 3.026 -10.619 12.049 1.00 24.21 H new ATOM 0 HB3 LEU A 89 2.304 -9.761 13.396 1.00 24.21 H new ATOM 0 HG LEU A 89 3.034 -7.692 11.722 1.00 75.42 H new ATOM 0 HD11 LEU A 89 2.158 -8.273 9.475 1.00 42.33 H new ATOM 0 HD12 LEU A 89 3.611 -9.214 9.890 1.00 42.33 H new ATOM 0 HD13 LEU A 89 2.003 -9.970 9.989 1.00 42.33 H new ATOM 0 HD21 LEU A 89 0.596 -7.540 11.196 1.00 53.41 H new ATOM 0 HD22 LEU A 89 0.378 -9.201 11.797 1.00 53.41 H new ATOM 0 HD23 LEU A 89 0.881 -7.909 12.913 1.00 53.41 H new ATOM 1250 N HIS A 90 5.782 -10.093 11.248 1.00 2.14 N ATOM 1251 CA HIS A 90 6.699 -10.018 10.111 1.00 54.41 C ATOM 1252 C HIS A 90 6.118 -10.719 8.869 1.00 42.05 C ATOM 1253 O HIS A 90 5.234 -11.571 9.010 1.00 42.04 O ATOM 1254 CB HIS A 90 8.053 -10.625 10.507 1.00 73.14 C ATOM 1255 CG HIS A 90 8.849 -9.714 11.400 1.00 34.11 C ATOM 1256 ND1 HIS A 90 9.268 -9.996 12.678 1.00 63.22 N ATOM 1257 CD2 HIS A 90 9.294 -8.460 11.081 1.00 3.04 C ATOM 1258 CE1 HIS A 90 9.964 -8.938 13.120 1.00 64.14 C ATOM 1259 NE2 HIS A 90 10.011 -7.976 12.180 1.00 53.43 N ATOM 0 H HIS A 90 5.418 -11.034 11.396 1.00 2.14 H new ATOM 0 HA HIS A 90 6.841 -8.971 9.845 1.00 54.41 H new ATOM 0 HB2 HIS A 90 7.888 -11.575 11.016 1.00 73.14 H new ATOM 0 HB3 HIS A 90 8.629 -10.841 9.607 1.00 73.14 H new ATOM 0 HD2 HIS A 90 9.123 -7.939 10.151 1.00 3.04 H new ATOM 0 HE1 HIS A 90 10.423 -8.868 14.095 1.00 64.14 H new ATOM 0 HE2 HIS A 90 10.478 -7.072 12.254 1.00 53.43 H new ATOM 1266 N PRO A 91 6.586 -10.362 7.656 1.00 51.12 N ATOM 1267 CA PRO A 91 5.963 -10.769 6.396 1.00 12.10 C ATOM 1268 C PRO A 91 6.331 -12.181 5.892 1.00 12.13 C ATOM 1269 O PRO A 91 7.373 -12.731 6.261 1.00 41.35 O ATOM 1270 CB PRO A 91 6.410 -9.708 5.387 1.00 71.12 C ATOM 1271 CG PRO A 91 7.766 -9.255 5.911 1.00 13.43 C ATOM 1272 CD PRO A 91 7.553 -9.295 7.415 1.00 42.14 C ATOM 0 HA PRO A 91 4.884 -10.833 6.537 1.00 12.10 H new ATOM 0 HB2 PRO A 91 6.488 -10.120 4.381 1.00 71.12 H new ATOM 0 HB3 PRO A 91 5.703 -8.880 5.338 1.00 71.12 H new ATOM 0 HG2 PRO A 91 8.569 -9.921 5.595 1.00 13.43 H new ATOM 0 HG3 PRO A 91 8.025 -8.255 5.562 1.00 13.43 H new ATOM 0 HD2 PRO A 91 8.490 -9.492 7.937 1.00 42.14 H new ATOM 0 HD3 PRO A 91 7.179 -8.339 7.782 1.00 42.14 H new ATOM 1277 N PRO A 92 5.514 -12.750 4.977 1.00 32.43 N ATOM 1278 CA PRO A 92 5.733 -14.055 4.346 1.00 34.53 C ATOM 1279 C PRO A 92 6.772 -14.043 3.212 1.00 75.34 C ATOM 1280 O PRO A 92 6.943 -15.051 2.526 1.00 0.23 O ATOM 1281 CB PRO A 92 4.357 -14.475 3.816 1.00 34.54 C ATOM 1282 CG PRO A 92 3.742 -13.140 3.413 1.00 3.41 C ATOM 1283 CD PRO A 92 4.228 -12.222 4.534 1.00 72.31 C ATOM 0 HA PRO A 92 6.148 -14.752 5.075 1.00 34.53 H new ATOM 0 HB2 PRO A 92 4.438 -15.157 2.970 1.00 34.54 H new ATOM 0 HB3 PRO A 92 3.765 -14.982 4.578 1.00 34.54 H new ATOM 0 HG2 PRO A 92 4.089 -12.809 2.434 1.00 3.41 H new ATOM 0 HG3 PRO A 92 2.654 -13.188 3.366 1.00 3.41 H new ATOM 0 HD2 PRO A 92 4.332 -11.197 4.178 1.00 72.31 H new ATOM 0 HD3 PRO A 92 3.513 -12.203 5.356 1.00 72.31 H new ATOM 1288 N LEU A 93 7.446 -12.921 2.973 1.00 22.13 N ATOM 1289 CA LEU A 93 8.548 -12.779 2.030 1.00 0.04 C ATOM 1290 C LEU A 93 9.690 -12.170 2.821 1.00 13.42 C ATOM 1291 O LEU A 93 9.447 -11.276 3.636 1.00 0.03 O ATOM 1292 CB LEU A 93 8.134 -11.826 0.895 1.00 2.44 C ATOM 1293 CG LEU A 93 7.624 -12.548 -0.362 1.00 34.12 C ATOM 1294 CD1 LEU A 93 6.382 -11.878 -0.936 1.00 55.24 C ATOM 1295 CD2 LEU A 93 8.730 -12.584 -1.421 1.00 4.24 C ATOM 0 H LEU A 93 7.228 -12.048 3.454 1.00 22.13 H new ATOM 0 HA LEU A 93 8.829 -13.733 1.585 1.00 0.04 H new ATOM 0 HB2 LEU A 93 7.355 -11.157 1.260 1.00 2.44 H new ATOM 0 HB3 LEU A 93 8.988 -11.204 0.625 1.00 2.44 H new ATOM 0 HG LEU A 93 7.350 -13.563 -0.075 1.00 34.12 H new ATOM 0 HD11 LEU A 93 6.054 -12.419 -1.823 1.00 55.24 H new ATOM 0 HD12 LEU A 93 5.587 -11.887 -0.191 1.00 55.24 H new ATOM 0 HD13 LEU A 93 6.616 -10.848 -1.205 1.00 55.24 H new ATOM 0 HD21 LEU A 93 8.365 -13.097 -2.311 1.00 4.24 H new ATOM 0 HD22 LEU A 93 9.018 -11.565 -1.681 1.00 4.24 H new ATOM 0 HD23 LEU A 93 9.595 -13.116 -1.025 1.00 4.24 H new ATOM 1306 N THR A 94 10.922 -12.597 2.565 1.00 35.51 N ATOM 1307 CA THR A 94 12.118 -12.024 3.163 1.00 54.23 C ATOM 1308 C THR A 94 13.229 -12.148 2.112 1.00 43.25 C ATOM 1309 O THR A 94 14.109 -13.013 2.167 1.00 4.40 O ATOM 1310 CB THR A 94 12.457 -12.740 4.474 1.00 34.44 C ATOM 1311 OG1 THR A 94 11.350 -12.869 5.356 1.00 54.13 O ATOM 1312 CG2 THR A 94 13.574 -12.045 5.241 1.00 2.00 C ATOM 0 H THR A 94 11.119 -13.365 1.924 1.00 35.51 H new ATOM 0 HA THR A 94 11.981 -10.976 3.430 1.00 54.23 H new ATOM 0 HB THR A 94 12.775 -13.732 4.154 1.00 34.44 H new ATOM 0 HG1 THR A 94 11.633 -13.335 6.170 1.00 54.13 H new ATOM 0 HG21 THR A 94 13.777 -12.591 6.162 1.00 2.00 H new ATOM 0 HG22 THR A 94 14.475 -12.020 4.628 1.00 2.00 H new ATOM 0 HG23 THR A 94 13.271 -11.026 5.482 1.00 2.00 H new ATOM 1320 N ILE A 95 13.113 -11.326 1.078 1.00 72.21 N ATOM 1321 CA ILE A 95 13.923 -11.418 -0.131 1.00 2.30 C ATOM 1322 C ILE A 95 15.366 -11.088 0.224 1.00 4.11 C ATOM 1323 O ILE A 95 15.641 -10.085 0.878 1.00 31.41 O ATOM 1324 CB ILE A 95 13.349 -10.574 -1.291 1.00 15.12 C ATOM 1325 CG1 ILE A 95 14.058 -10.843 -2.641 1.00 72.35 C ATOM 1326 CG2 ILE A 95 13.337 -9.081 -0.965 1.00 53.15 C ATOM 1327 CD1 ILE A 95 15.273 -9.965 -2.988 1.00 11.00 C ATOM 0 H ILE A 95 12.439 -10.560 1.055 1.00 72.21 H new ATOM 0 HA ILE A 95 13.897 -12.438 -0.516 1.00 2.30 H new ATOM 0 HB ILE A 95 12.315 -10.898 -1.407 1.00 15.12 H new ATOM 0 HG12 ILE A 95 14.381 -11.884 -2.651 1.00 72.35 H new ATOM 0 HG13 ILE A 95 13.322 -10.730 -3.437 1.00 72.35 H new ATOM 0 HG21 ILE A 95 12.925 -8.528 -1.809 1.00 53.15 H new ATOM 0 HG22 ILE A 95 12.722 -8.906 -0.082 1.00 53.15 H new ATOM 0 HG23 ILE A 95 14.355 -8.743 -0.771 1.00 53.15 H new ATOM 0 HD11 ILE A 95 15.671 -10.261 -3.959 1.00 11.00 H new ATOM 0 HD12 ILE A 95 14.968 -8.919 -3.025 1.00 11.00 H new ATOM 0 HD13 ILE A 95 16.043 -10.092 -2.227 1.00 11.00 H new ATOM 1338 N ASP A 96 16.284 -11.951 -0.193 1.00 34.24 N ATOM 1339 CA ASP A 96 17.722 -11.909 0.112 1.00 32.51 C ATOM 1340 C ASP A 96 18.035 -11.751 1.617 1.00 35.40 C ATOM 1341 O ASP A 96 19.159 -11.440 2.007 1.00 4.34 O ATOM 1342 CB ASP A 96 18.396 -10.843 -0.768 1.00 31.44 C ATOM 1343 CG ASP A 96 19.919 -10.787 -0.616 1.00 60.11 C ATOM 1344 OD1 ASP A 96 20.587 -11.835 -0.703 1.00 72.12 O ATOM 1345 OD2 ASP A 96 20.438 -9.656 -0.424 1.00 64.21 O ATOM 0 H ASP A 96 16.039 -12.744 -0.785 1.00 34.24 H new ATOM 0 HA ASP A 96 18.149 -12.881 -0.134 1.00 32.51 H new ATOM 0 HB2 ASP A 96 18.152 -11.040 -1.812 1.00 31.44 H new ATOM 0 HB3 ASP A 96 17.980 -9.866 -0.522 1.00 31.44 H new ATOM 1349 N GLY A 97 17.058 -11.986 2.495 1.00 23.33 N ATOM 1350 CA GLY A 97 17.193 -11.866 3.940 1.00 72.45 C ATOM 1351 C GLY A 97 16.738 -10.506 4.471 1.00 32.21 C ATOM 1352 O GLY A 97 16.960 -10.229 5.646 1.00 31.53 O ATOM 0 H GLY A 97 16.123 -12.274 2.206 1.00 23.33 H new ATOM 0 HA2 GLY A 97 16.609 -12.651 4.420 1.00 72.45 H new ATOM 0 HA3 GLY A 97 18.235 -12.028 4.217 1.00 72.45 H new ATOM 1356 N LYS A 98 16.100 -9.668 3.649 1.00 13.10 N ATOM 1357 CA LYS A 98 15.629 -8.348 4.053 1.00 4.12 C ATOM 1358 C LYS A 98 14.196 -8.439 4.488 1.00 40.12 C ATOM 1359 O LYS A 98 13.416 -9.184 3.889 1.00 2.12 O ATOM 1360 CB LYS A 98 15.682 -7.365 2.887 1.00 53.25 C ATOM 1361 CG LYS A 98 17.112 -6.995 2.539 1.00 60.15 C ATOM 1362 CD LYS A 98 17.685 -5.872 3.409 1.00 20.12 C ATOM 1363 CE LYS A 98 17.394 -4.511 2.775 1.00 44.45 C ATOM 1364 NZ LYS A 98 17.859 -3.401 3.630 1.00 24.51 N ATOM 0 H LYS A 98 15.896 -9.893 2.675 1.00 13.10 H new ATOM 0 HA LYS A 98 16.272 -8.002 4.862 1.00 4.12 H new ATOM 0 HB2 LYS A 98 15.196 -7.805 2.016 1.00 53.25 H new ATOM 0 HB3 LYS A 98 15.124 -6.465 3.143 1.00 53.25 H new ATOM 0 HG2 LYS A 98 17.742 -7.879 2.640 1.00 60.15 H new ATOM 0 HG3 LYS A 98 17.155 -6.691 1.493 1.00 60.15 H new ATOM 0 HD2 LYS A 98 17.249 -5.917 4.407 1.00 20.12 H new ATOM 0 HD3 LYS A 98 18.761 -6.005 3.525 1.00 20.12 H new ATOM 0 HE2 LYS A 98 17.882 -4.451 1.802 1.00 44.45 H new ATOM 0 HE3 LYS A 98 16.323 -4.412 2.601 1.00 44.45 H new ATOM 0 HZ1 LYS A 98 17.833 -2.513 3.090 1.00 24.51 H new ATOM 0 HZ2 LYS A 98 17.239 -3.319 4.461 1.00 24.51 H new ATOM 0 HZ3 LYS A 98 18.833 -3.588 3.943 1.00 24.51 H new ATOM 1374 N THR A 99 13.813 -7.518 5.353 1.00 43.32 N ATOM 1375 CA THR A 99 12.554 -7.580 6.082 1.00 35.20 C ATOM 1376 C THR A 99 11.990 -6.159 6.178 1.00 1.42 C ATOM 1377 O THR A 99 12.720 -5.221 6.501 1.00 11.24 O ATOM 1378 CB THR A 99 12.752 -8.282 7.448 1.00 14.34 C ATOM 1379 OG1 THR A 99 13.844 -9.188 7.421 1.00 22.30 O ATOM 1380 CG2 THR A 99 11.504 -9.104 7.794 1.00 34.30 C ATOM 0 H THR A 99 14.373 -6.694 5.574 1.00 43.32 H new ATOM 0 HA THR A 99 11.818 -8.190 5.558 1.00 35.20 H new ATOM 0 HB THR A 99 12.939 -7.498 8.182 1.00 14.34 H new ATOM 0 HG1 THR A 99 13.940 -9.611 8.300 1.00 22.30 H new ATOM 0 HG21 THR A 99 11.648 -9.596 8.756 1.00 34.30 H new ATOM 0 HG22 THR A 99 10.638 -8.445 7.850 1.00 34.30 H new ATOM 0 HG23 THR A 99 11.338 -9.856 7.023 1.00 34.30 H new ATOM 1388 N ILE A 100 10.730 -5.968 5.775 1.00 62.21 N ATOM 1389 CA ILE A 100 10.162 -4.636 5.579 1.00 43.35 C ATOM 1390 C ILE A 100 9.965 -3.953 6.942 1.00 75.32 C ATOM 1391 O ILE A 100 9.325 -4.513 7.837 1.00 12.20 O ATOM 1392 CB ILE A 100 8.831 -4.710 4.791 1.00 62.33 C ATOM 1393 CG1 ILE A 100 8.824 -5.651 3.568 1.00 34.30 C ATOM 1394 CG2 ILE A 100 8.445 -3.312 4.314 1.00 75.43 C ATOM 1395 CD1 ILE A 100 9.891 -5.358 2.506 1.00 40.43 C ATOM 0 H ILE A 100 10.081 -6.729 5.577 1.00 62.21 H new ATOM 0 HA ILE A 100 10.856 -4.040 4.986 1.00 43.35 H new ATOM 0 HB ILE A 100 8.116 -5.130 5.499 1.00 62.33 H new ATOM 0 HG12 ILE A 100 8.956 -6.675 3.918 1.00 34.30 H new ATOM 0 HG13 ILE A 100 7.843 -5.599 3.097 1.00 34.30 H new ATOM 0 HG21 ILE A 100 7.508 -3.363 3.759 1.00 75.43 H new ATOM 0 HG22 ILE A 100 8.322 -2.655 5.175 1.00 75.43 H new ATOM 0 HG23 ILE A 100 9.229 -2.919 3.667 1.00 75.43 H new ATOM 0 HD11 ILE A 100 9.799 -6.075 1.691 1.00 40.43 H new ATOM 0 HD12 ILE A 100 9.751 -4.349 2.119 1.00 40.43 H new ATOM 0 HD13 ILE A 100 10.882 -5.441 2.953 1.00 40.43 H new ATOM 1406 N ASN A 101 10.474 -2.731 7.102 1.00 54.23 N ATOM 1407 CA ASN A 101 10.115 -1.885 8.240 1.00 15.34 C ATOM 1408 C ASN A 101 8.712 -1.357 8.022 1.00 14.20 C ATOM 1409 O ASN A 101 8.345 -0.950 6.915 1.00 63.14 O ATOM 1410 CB ASN A 101 10.994 -0.642 8.364 1.00 40.43 C ATOM 1411 CG ASN A 101 12.300 -0.869 9.108 1.00 23.10 C ATOM 1412 OD1 ASN A 101 13.027 -1.826 8.868 1.00 11.11 O ATOM 1413 ND2 ASN A 101 12.626 0.009 10.036 1.00 20.21 N ATOM 0 H ASN A 101 11.138 -2.304 6.456 1.00 54.23 H new ATOM 0 HA ASN A 101 10.227 -2.504 9.131 1.00 15.34 H new ATOM 0 HB2 ASN A 101 11.219 -0.270 7.365 1.00 40.43 H new ATOM 0 HB3 ASN A 101 10.430 0.138 8.875 1.00 40.43 H new ATOM 0 HD21 ASN A 101 13.492 -0.104 10.563 1.00 20.21 H new ATOM 0 HD22 ASN A 101 12.013 0.801 10.226 1.00 20.21 H new ATOM 1419 N VAL A 102 7.981 -1.247 9.121 1.00 63.02 N ATOM 1420 CA VAL A 102 6.664 -0.690 9.183 1.00 2.40 C ATOM 1421 C VAL A 102 6.844 0.743 9.683 1.00 53.55 C ATOM 1422 O VAL A 102 7.688 1.013 10.546 1.00 42.25 O ATOM 1423 CB VAL A 102 5.834 -1.545 10.154 1.00 61.32 C ATOM 1424 CG1 VAL A 102 5.676 -2.986 9.652 1.00 32.40 C ATOM 1425 CG2 VAL A 102 6.184 -1.510 11.645 1.00 73.05 C ATOM 0 H VAL A 102 8.318 -1.563 10.030 1.00 63.02 H new ATOM 0 HA VAL A 102 6.143 -0.682 8.225 1.00 2.40 H new ATOM 0 HB VAL A 102 4.876 -1.026 10.133 1.00 61.32 H new ATOM 0 HG11 VAL A 102 5.083 -3.557 10.366 1.00 32.40 H new ATOM 0 HG12 VAL A 102 5.173 -2.981 8.685 1.00 32.40 H new ATOM 0 HG13 VAL A 102 6.659 -3.445 9.547 1.00 32.40 H new ATOM 0 HG21 VAL A 102 5.507 -2.165 12.193 1.00 73.05 H new ATOM 0 HG22 VAL A 102 7.210 -1.849 11.786 1.00 73.05 H new ATOM 0 HG23 VAL A 102 6.084 -0.491 12.018 1.00 73.05 H new ATOM 1435 N GLU A 103 6.061 1.670 9.154 1.00 15.14 N ATOM 1436 CA GLU A 103 5.990 3.076 9.530 1.00 52.54 C ATOM 1437 C GLU A 103 4.814 3.665 8.741 1.00 31.30 C ATOM 1438 O GLU A 103 3.953 2.907 8.283 1.00 15.50 O ATOM 1439 CB GLU A 103 7.347 3.806 9.393 1.00 75.15 C ATOM 1440 CG GLU A 103 8.182 3.467 8.157 1.00 34.42 C ATOM 1441 CD GLU A 103 9.590 4.042 8.279 1.00 4.22 C ATOM 1442 OE1 GLU A 103 9.728 5.286 8.149 1.00 13.44 O ATOM 1443 OE2 GLU A 103 10.562 3.280 8.476 1.00 42.04 O ATOM 0 H GLU A 103 5.413 1.446 8.399 1.00 15.14 H new ATOM 0 HA GLU A 103 5.793 3.211 10.594 1.00 52.54 H new ATOM 0 HB2 GLU A 103 7.159 4.880 9.394 1.00 75.15 H new ATOM 0 HB3 GLU A 103 7.943 3.587 10.279 1.00 75.15 H new ATOM 0 HG2 GLU A 103 8.236 2.385 8.035 1.00 34.42 H new ATOM 0 HG3 GLU A 103 7.698 3.865 7.265 1.00 34.42 H new ATOM 1448 N PHE A 104 4.677 4.985 8.667 1.00 55.15 N ATOM 1449 CA PHE A 104 3.533 5.659 8.089 1.00 35.13 C ATOM 1450 C PHE A 104 3.913 7.012 7.488 1.00 41.45 C ATOM 1451 O PHE A 104 5.021 7.507 7.724 1.00 63.33 O ATOM 1452 CB PHE A 104 2.393 5.749 9.111 1.00 34.14 C ATOM 1453 CG PHE A 104 2.494 6.707 10.285 1.00 23.40 C ATOM 1454 CD1 PHE A 104 3.710 6.911 10.959 1.00 13.52 C ATOM 1455 CD2 PHE A 104 1.328 7.353 10.747 1.00 4.20 C ATOM 1456 CE1 PHE A 104 3.779 7.768 12.067 1.00 63.31 C ATOM 1457 CE2 PHE A 104 1.413 8.248 11.833 1.00 13.11 C ATOM 1458 CZ PHE A 104 2.638 8.466 12.480 1.00 64.23 C ATOM 0 H PHE A 104 5.384 5.630 9.020 1.00 55.15 H new ATOM 0 HA PHE A 104 3.166 5.064 7.253 1.00 35.13 H new ATOM 0 HB2 PHE A 104 1.486 6.004 8.562 1.00 34.14 H new ATOM 0 HB3 PHE A 104 2.247 4.750 9.521 1.00 34.14 H new ATOM 0 HD1 PHE A 104 4.601 6.403 10.620 1.00 13.52 H new ATOM 0 HD2 PHE A 104 0.377 7.163 10.272 1.00 4.20 H new ATOM 0 HE1 PHE A 104 4.710 7.889 12.600 1.00 63.31 H new ATOM 0 HE2 PHE A 104 0.529 8.769 12.169 1.00 13.11 H new ATOM 0 HZ PHE A 104 2.701 9.171 13.296 1.00 64.23 H new ATOM 1467 N ALA A 105 3.000 7.583 6.693 1.00 4.12 N ATOM 1468 CA ALA A 105 3.140 8.870 6.035 1.00 11.33 C ATOM 1469 C ALA A 105 1.791 9.585 6.096 1.00 44.53 C ATOM 1470 O ALA A 105 1.003 9.559 5.150 1.00 74.05 O ATOM 1471 CB ALA A 105 3.641 8.677 4.601 1.00 34.24 C ATOM 0 H ALA A 105 2.108 7.134 6.487 1.00 4.12 H new ATOM 0 HA ALA A 105 3.882 9.489 6.539 1.00 11.33 H new ATOM 0 HB1 ALA A 105 3.742 9.648 4.117 1.00 34.24 H new ATOM 0 HB2 ALA A 105 4.610 8.177 4.618 1.00 34.24 H new ATOM 0 HB3 ALA A 105 2.928 8.068 4.045 1.00 34.24 H new ATOM 1477 N LYS A 106 1.509 10.214 7.230 1.00 52.44 N ATOM 1478 CA LYS A 106 0.285 10.942 7.516 1.00 62.24 C ATOM 1479 C LYS A 106 0.505 12.463 7.455 1.00 34.34 C ATOM 1480 O LYS A 106 1.537 12.937 6.962 1.00 3.30 O ATOM 1481 CB LYS A 106 -0.244 10.421 8.855 1.00 41.45 C ATOM 1482 CG LYS A 106 -1.734 10.116 8.716 1.00 31.41 C ATOM 1483 CD LYS A 106 -2.395 9.995 10.081 1.00 34.23 C ATOM 1484 CE LYS A 106 -1.922 8.760 10.858 1.00 40.53 C ATOM 1485 NZ LYS A 106 -2.327 8.794 12.279 1.00 11.12 N ATOM 0 H LYS A 106 2.163 10.229 8.013 1.00 52.44 H new ATOM 0 HA LYS A 106 -0.477 10.766 6.757 1.00 62.24 H new ATOM 0 HB2 LYS A 106 0.298 9.523 9.150 1.00 41.45 H new ATOM 0 HB3 LYS A 106 -0.083 11.162 9.638 1.00 41.45 H new ATOM 0 HG2 LYS A 106 -2.219 10.906 8.142 1.00 31.41 H new ATOM 0 HG3 LYS A 106 -1.869 9.189 8.159 1.00 31.41 H new ATOM 0 HD2 LYS A 106 -2.182 10.891 10.665 1.00 34.23 H new ATOM 0 HD3 LYS A 106 -3.477 9.948 9.954 1.00 34.23 H new ATOM 0 HE2 LYS A 106 -2.328 7.863 10.390 1.00 40.53 H new ATOM 0 HE3 LYS A 106 -0.836 8.689 10.795 1.00 40.53 H new ATOM 0 HZ1 LYS A 106 -1.983 7.938 12.759 1.00 11.12 H new ATOM 0 HZ2 LYS A 106 -1.919 9.634 12.736 1.00 11.12 H new ATOM 0 HZ3 LYS A 106 -3.364 8.834 12.343 1.00 11.12 H new