USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 700 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 65 LYS NZ :NH3+ -165:sc= 0.0367 (180deg=0) USER MOD Set 1.2: A 110 THR OG1 : rot 120:sc= 0.037 USER MOD Set 2.1: A 106 THR OG1 : rot 126:sc= 0.249 USER MOD Set 2.2: A 108 ASN : amide:sc= 0.236 X(o=0.49,f=0.042) USER MOD Set 3.1: A 99 SER OG : rot 180:sc= 0.875 USER MOD Set 3.2: A 118 THR OG1 : rot -65:sc= 1.01 USER MOD Set 4.1: A 70 LYS NZ :NH3+ -150:sc= 0.0151 (180deg=0) USER MOD Set 4.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.015) USER MOD Single : A 34 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.76) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.7) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.372 USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -1.15 (180deg=-1.7) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00663 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -68:sc= 1.06 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 58 ASN : amide:sc= 0.121 X(o=0.12,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 64 TYR OH : rot 110:sc= -0.0874 USER MOD Single : A 68 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.17) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.000493 USER MOD Single : A 83 ASN : amide:sc= -0.0809 K(o=-0.081,f=-2.9!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 27:sc= 0.0163 USER MOD Single : A 97 GLN : amide:sc= -2.87! K(o=-2.9!,f=-1.6) USER MOD Single : A 101 GLN : amide:sc= -8.46! C(o=-8.5!,f=-6.6!) USER MOD Single : A 103 SER OG : rot 89:sc= 0.53 USER MOD Single : A 105 MET CE :methyl -179:sc= -7.34! (180deg=-7.43!) USER MOD Single : A 114 SER OG : rot -160:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.5!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 124 ASN : amide:sc= -0.726 K(o=-0.73,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 0.980 16.982 7.963 1.00 0.00 N ATOM 340 CA VAL A 27 0.706 15.554 8.071 1.00 0.00 C ATOM 341 C VAL A 27 -0.282 15.267 9.196 1.00 0.00 C ATOM 342 O VAL A 27 -0.316 15.955 10.216 1.00 0.00 O ATOM 343 CB VAL A 27 1.997 14.752 8.320 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.930 14.856 7.122 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.687 15.234 9.587 1.00 0.00 C ATOM 0 HA VAL A 27 0.271 15.243 7.121 1.00 0.00 H new ATOM 0 HB VAL A 27 1.733 13.703 8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.837 14.283 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.432 14.459 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.190 15.901 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.597 14.656 9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.940 16.289 9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.019 15.102 10.438 1.00 0.00 H new ATOM 355 N PRO A 28 -1.106 14.225 9.008 1.00 0.00 N ATOM 356 CA PRO A 28 -2.110 13.822 9.997 1.00 0.00 C ATOM 357 C PRO A 28 -1.481 13.224 11.251 1.00 0.00 C ATOM 358 O PRO A 28 -0.444 12.565 11.183 1.00 0.00 O ATOM 359 CB PRO A 28 -2.934 12.766 9.256 1.00 0.00 C ATOM 360 CG PRO A 28 -2.008 12.218 8.226 1.00 0.00 C ATOM 361 CD PRO A 28 -1.121 13.361 7.816 1.00 0.00 C ATOM 0 HA PRO A 28 -2.697 14.670 10.350 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.279 11.985 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.820 13.205 8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.420 11.393 8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.561 11.828 7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.120 13.019 7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.516 13.884 6.945 1.00 0.00 H new ATOM 369 N SER A 29 -2.117 13.458 12.395 1.00 0.00 N ATOM 370 CA SER A 29 -1.617 12.945 13.665 1.00 0.00 C ATOM 371 C SER A 29 -2.567 11.899 14.240 1.00 0.00 C ATOM 372 O SER A 29 -2.154 11.012 14.986 1.00 0.00 O ATOM 373 CB SER A 29 -1.434 14.089 14.665 1.00 0.00 C ATOM 374 OG SER A 29 -0.377 14.947 14.270 1.00 0.00 O ATOM 0 H SER A 29 -2.979 13.999 12.468 1.00 0.00 H new ATOM 0 HA SER A 29 -0.651 12.473 13.483 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.360 14.659 14.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.226 13.682 15.654 1.00 0.00 H new ATOM 0 HG SER A 29 -0.281 15.671 14.924 1.00 0.00 H new ATOM 380 N ALA A 30 -3.844 12.011 13.887 1.00 0.00 N ATOM 381 CA ALA A 30 -4.854 11.075 14.365 1.00 0.00 C ATOM 382 C ALA A 30 -4.865 9.803 13.525 1.00 0.00 C ATOM 383 O ALA A 30 -4.987 9.841 12.300 1.00 0.00 O ATOM 384 CB ALA A 30 -6.227 11.730 14.355 1.00 0.00 C ATOM 0 H ALA A 30 -4.203 12.741 13.272 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.603 10.799 15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.972 11.020 14.714 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.217 12.605 15.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.477 12.035 13.339 1.00 0.00 H new ATOM 390 N PRO A 31 -4.735 8.648 14.195 1.00 0.00 N ATOM 391 CA PRO A 31 -4.727 7.343 13.528 1.00 0.00 C ATOM 392 C PRO A 31 -6.094 6.973 12.962 1.00 0.00 C ATOM 393 O PRO A 31 -7.122 7.538 13.338 1.00 0.00 O ATOM 394 CB PRO A 31 -4.333 6.376 14.648 1.00 0.00 C ATOM 395 CG PRO A 31 -4.758 7.056 15.903 1.00 0.00 C ATOM 396 CD PRO A 31 -4.586 8.529 15.655 1.00 0.00 C ATOM 0 HA PRO A 31 -4.051 7.326 12.673 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.830 5.413 14.532 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.260 6.184 14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.794 6.819 16.143 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.152 6.729 16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.336 9.116 16.185 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.610 8.882 15.990 1.00 0.00 H new ATOM 404 N PRO A 32 -6.109 6.002 12.037 1.00 0.00 N ATOM 405 CA PRO A 32 -7.344 5.535 11.400 1.00 0.00 C ATOM 406 C PRO A 32 -8.238 4.764 12.365 1.00 0.00 C ATOM 407 O PRO A 32 -7.836 4.457 13.486 1.00 0.00 O ATOM 408 CB PRO A 32 -6.842 4.614 10.285 1.00 0.00 C ATOM 409 CG PRO A 32 -5.507 4.147 10.752 1.00 0.00 C ATOM 410 CD PRO A 32 -4.922 5.285 11.541 1.00 0.00 C ATOM 0 HA PRO A 32 -7.957 6.363 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.522 3.776 10.127 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.766 5.146 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.600 3.253 11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.867 3.888 9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.297 4.927 12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.296 5.925 10.919 1.00 0.00 H new ATOM 418 N GLN A 33 -9.452 4.454 11.921 1.00 0.00 N ATOM 419 CA GLN A 33 -10.403 3.719 12.746 1.00 0.00 C ATOM 420 C GLN A 33 -10.701 2.350 12.145 1.00 0.00 C ATOM 421 O GLN A 33 -10.344 2.072 11.001 1.00 0.00 O ATOM 422 CB GLN A 33 -11.700 4.515 12.899 1.00 0.00 C ATOM 423 CG GLN A 33 -11.620 5.613 13.948 1.00 0.00 C ATOM 424 CD GLN A 33 -12.981 6.174 14.310 1.00 0.00 C ATOM 425 OE1 GLN A 33 -13.864 5.447 14.766 1.00 0.00 O ATOM 426 NE2 GLN A 33 -13.158 7.474 14.109 1.00 0.00 N ATOM 0 H GLN A 33 -9.800 4.701 10.994 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.956 3.574 13.729 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.959 4.960 11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.507 3.831 13.161 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.143 5.219 14.845 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.986 6.419 13.578 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.399 8.039 13.729 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.053 7.908 14.335 1.00 0.00 H new ATOM 435 N ASN A 34 -11.357 1.496 12.925 1.00 0.00 N ATOM 436 CA ASN A 34 -11.702 0.155 12.469 1.00 0.00 C ATOM 437 C ASN A 34 -10.447 -0.643 12.127 1.00 0.00 C ATOM 438 O ASN A 34 -10.374 -1.287 11.080 1.00 0.00 O ATOM 439 CB ASN A 34 -12.622 0.229 11.249 1.00 0.00 C ATOM 440 CG ASN A 34 -13.203 -1.122 10.881 1.00 0.00 C ATOM 441 OD1 ASN A 34 -13.625 -1.886 11.749 1.00 0.00 O ATOM 442 ND2 ASN A 34 -13.228 -1.423 9.587 1.00 0.00 N ATOM 0 H ASN A 34 -11.660 1.709 13.875 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.225 -0.354 13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.434 0.928 11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.064 0.625 10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.608 -2.318 9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.867 -0.759 8.902 1.00 0.00 H new ATOM 449 N VAL A 35 -9.461 -0.596 13.018 1.00 0.00 N ATOM 450 CA VAL A 35 -8.210 -1.315 12.811 1.00 0.00 C ATOM 451 C VAL A 35 -8.244 -2.682 13.486 1.00 0.00 C ATOM 452 O VAL A 35 -8.021 -2.796 14.691 1.00 0.00 O ATOM 453 CB VAL A 35 -7.008 -0.518 13.352 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.701 -1.164 12.920 1.00 0.00 C ATOM 455 CG2 VAL A 35 -7.077 0.929 12.888 1.00 0.00 C ATOM 0 H VAL A 35 -9.505 -0.068 13.889 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.095 -1.446 11.735 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.047 -0.528 14.441 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.863 -0.587 13.311 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.653 -2.182 13.307 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.649 -1.187 11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.220 1.478 13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.063 0.963 11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.997 1.385 13.253 1.00 0.00 H new ATOM 465 N SER A 36 -8.524 -3.717 12.700 1.00 0.00 N ATOM 466 CA SER A 36 -8.591 -5.077 13.222 1.00 0.00 C ATOM 467 C SER A 36 -8.283 -6.094 12.128 1.00 0.00 C ATOM 468 O SER A 36 -8.401 -5.799 10.938 1.00 0.00 O ATOM 469 CB SER A 36 -9.975 -5.351 13.815 1.00 0.00 C ATOM 470 OG SER A 36 -9.901 -6.301 14.864 1.00 0.00 O ATOM 0 H SER A 36 -8.708 -3.640 11.700 1.00 0.00 H new ATOM 0 HA SER A 36 -7.842 -5.176 14.007 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.403 -4.422 14.191 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.642 -5.717 13.035 1.00 0.00 H new ATOM 0 HG SER A 36 -10.798 -6.458 15.227 1.00 0.00 H new ATOM 476 N LEU A 37 -7.887 -7.294 12.539 1.00 0.00 N ATOM 477 CA LEU A 37 -7.561 -8.357 11.595 1.00 0.00 C ATOM 478 C LEU A 37 -8.683 -9.389 11.528 1.00 0.00 C ATOM 479 O LEU A 37 -9.456 -9.540 12.473 1.00 0.00 O ATOM 480 CB LEU A 37 -6.251 -9.038 11.995 1.00 0.00 C ATOM 481 CG LEU A 37 -5.003 -8.153 11.979 1.00 0.00 C ATOM 482 CD1 LEU A 37 -3.855 -8.837 12.704 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.608 -7.815 10.549 1.00 0.00 C ATOM 0 H LEU A 37 -7.784 -7.555 13.520 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.444 -7.909 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.369 -9.447 12.998 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.083 -9.881 11.324 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.232 -7.224 12.501 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.976 -8.193 12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.140 -9.028 13.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.625 -9.782 12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.719 -7.185 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.397 -8.734 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.425 -7.283 10.062 1.00 0.00 H new ATOM 495 N GLU A 38 -8.763 -10.096 10.405 1.00 0.00 N ATOM 496 CA GLU A 38 -9.790 -11.114 10.217 1.00 0.00 C ATOM 497 C GLU A 38 -9.210 -12.353 9.541 1.00 0.00 C ATOM 498 O GLU A 38 -8.867 -12.326 8.359 1.00 0.00 O ATOM 499 CB GLU A 38 -10.945 -10.557 9.381 1.00 0.00 C ATOM 500 CG GLU A 38 -12.245 -11.324 9.553 1.00 0.00 C ATOM 501 CD GLU A 38 -13.257 -11.006 8.469 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.160 -11.601 7.376 1.00 0.00 O ATOM 503 OE2 GLU A 38 -14.145 -10.163 8.715 1.00 0.00 O ATOM 0 H GLU A 38 -8.130 -9.983 9.613 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.167 -11.399 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.109 -9.514 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.661 -10.571 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.035 -12.394 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.675 -11.089 10.527 1.00 0.00 H new ATOM 510 N VAL A 39 -9.103 -13.439 10.300 1.00 0.00 N ATOM 511 CA VAL A 39 -8.565 -14.689 9.776 1.00 0.00 C ATOM 512 C VAL A 39 -9.522 -15.320 8.771 1.00 0.00 C ATOM 513 O VAL A 39 -10.452 -16.035 9.146 1.00 0.00 O ATOM 514 CB VAL A 39 -8.286 -15.698 10.906 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.702 -16.984 10.341 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.355 -15.090 11.944 1.00 0.00 C ATOM 0 H VAL A 39 -9.382 -13.478 11.280 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.627 -14.445 9.277 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.229 -15.940 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.511 -17.685 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.408 -17.426 9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.767 -16.763 9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.168 -15.816 12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.411 -14.818 11.471 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.817 -14.200 12.370 1.00 0.00 H new ATOM 526 N VAL A 40 -9.289 -15.052 7.490 1.00 0.00 N ATOM 527 CA VAL A 40 -10.129 -15.595 6.429 1.00 0.00 C ATOM 528 C VAL A 40 -9.828 -17.070 6.191 1.00 0.00 C ATOM 529 O VAL A 40 -10.730 -17.906 6.189 1.00 0.00 O ATOM 530 CB VAL A 40 -9.937 -14.823 5.111 1.00 0.00 C ATOM 531 CG1 VAL A 40 -10.983 -15.242 4.089 1.00 0.00 C ATOM 532 CG2 VAL A 40 -9.993 -13.323 5.358 1.00 0.00 C ATOM 0 H VAL A 40 -8.525 -14.462 7.162 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.163 -15.487 6.757 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.953 -15.065 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.831 -14.686 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.890 -16.310 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.978 -15.031 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.855 -12.794 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.961 -13.060 5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.202 -13.039 6.052 1.00 0.00 H new ATOM 542 N ASN A 41 -8.552 -17.383 5.989 1.00 0.00 N ATOM 543 CA ASN A 41 -8.130 -18.758 5.749 1.00 0.00 C ATOM 544 C ASN A 41 -6.718 -18.994 6.276 1.00 0.00 C ATOM 545 O ASN A 41 -6.067 -18.074 6.771 1.00 0.00 O ATOM 546 CB ASN A 41 -8.189 -19.078 4.254 1.00 0.00 C ATOM 547 CG ASN A 41 -9.590 -18.942 3.688 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.522 -19.605 4.143 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.743 -18.078 2.691 1.00 0.00 N ATOM 0 H ASN A 41 -7.792 -16.703 5.987 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.813 -19.419 6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.516 -18.410 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.830 -20.094 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.662 -17.942 2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.941 -17.550 2.346 1.00 0.00 H new ATOM 556 N SER A 42 -6.251 -20.234 6.165 1.00 0.00 N ATOM 557 CA SER A 42 -4.917 -20.592 6.633 1.00 0.00 C ATOM 558 C SER A 42 -3.847 -19.818 5.869 1.00 0.00 C ATOM 559 O SER A 42 -2.854 -19.376 6.447 1.00 0.00 O ATOM 560 CB SER A 42 -4.685 -22.096 6.474 1.00 0.00 C ATOM 561 OG SER A 42 -4.847 -22.498 5.125 1.00 0.00 O ATOM 0 H SER A 42 -6.776 -21.007 5.756 1.00 0.00 H new ATOM 0 HA SER A 42 -4.847 -20.330 7.689 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.681 -22.350 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.384 -22.644 7.106 1.00 0.00 H new ATOM 0 HG SER A 42 -4.692 -23.463 5.050 1.00 0.00 H new ATOM 567 N ARG A 43 -4.058 -19.657 4.567 1.00 0.00 N ATOM 568 CA ARG A 43 -3.112 -18.938 3.723 1.00 0.00 C ATOM 569 C ARG A 43 -3.750 -17.680 3.141 1.00 0.00 C ATOM 570 O ARG A 43 -3.462 -17.292 2.009 1.00 0.00 O ATOM 571 CB ARG A 43 -2.616 -19.841 2.592 1.00 0.00 C ATOM 572 CG ARG A 43 -3.725 -20.621 1.905 1.00 0.00 C ATOM 573 CD ARG A 43 -3.178 -21.506 0.796 1.00 0.00 C ATOM 574 NE ARG A 43 -3.110 -20.803 -0.482 1.00 0.00 N ATOM 575 CZ ARG A 43 -4.170 -20.560 -1.245 1.00 0.00 C ATOM 576 NH1 ARG A 43 -5.373 -20.962 -0.861 1.00 0.00 N ATOM 577 NH2 ARG A 43 -4.027 -19.914 -2.395 1.00 0.00 N ATOM 0 H ARG A 43 -4.876 -20.015 4.074 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.264 -18.642 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.100 -19.231 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.884 -20.543 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.247 -21.235 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.457 -19.927 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.183 -21.857 1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.810 -22.388 0.691 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.198 -20.481 -0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.487 -21.459 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.185 -20.774 -1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.103 -19.603 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.841 -19.728 -2.980 1.00 0.00 H new ATOM 591 N SER A 44 -4.618 -17.047 3.924 1.00 0.00 N ATOM 592 CA SER A 44 -5.300 -15.835 3.485 1.00 0.00 C ATOM 593 C SER A 44 -5.730 -14.990 4.681 1.00 0.00 C ATOM 594 O SER A 44 -6.125 -15.521 5.719 1.00 0.00 O ATOM 595 CB SER A 44 -6.520 -16.191 2.633 1.00 0.00 C ATOM 596 OG SER A 44 -6.240 -17.282 1.773 1.00 0.00 O ATOM 0 H SER A 44 -4.865 -17.353 4.865 1.00 0.00 H new ATOM 0 HA SER A 44 -4.602 -15.253 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.360 -16.441 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.820 -15.326 2.042 1.00 0.00 H new ATOM 0 HG SER A 44 -7.036 -17.491 1.240 1.00 0.00 H new ATOM 602 N ILE A 45 -5.650 -13.673 4.526 1.00 0.00 N ATOM 603 CA ILE A 45 -6.032 -12.755 5.592 1.00 0.00 C ATOM 604 C ILE A 45 -6.634 -11.474 5.024 1.00 0.00 C ATOM 605 O ILE A 45 -6.185 -10.965 3.997 1.00 0.00 O ATOM 606 CB ILE A 45 -4.827 -12.392 6.480 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.334 -13.626 7.238 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.200 -11.281 7.451 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.325 -13.308 8.319 1.00 0.00 C ATOM 0 H ILE A 45 -5.324 -13.218 3.673 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.779 -13.268 6.198 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.019 -12.034 5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.189 -14.132 7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.887 -14.323 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.338 -11.036 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.508 -10.397 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.021 -11.613 8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.020 -14.230 8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.453 -12.830 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.774 -12.635 9.049 1.00 0.00 H new ATOM 621 N LYS A 46 -7.655 -10.957 5.700 1.00 0.00 N ATOM 622 CA LYS A 46 -8.319 -9.733 5.266 1.00 0.00 C ATOM 623 C LYS A 46 -8.057 -8.595 6.248 1.00 0.00 C ATOM 624 O LYS A 46 -8.225 -8.754 7.457 1.00 0.00 O ATOM 625 CB LYS A 46 -9.825 -9.967 5.130 1.00 0.00 C ATOM 626 CG LYS A 46 -10.495 -9.046 4.125 1.00 0.00 C ATOM 627 CD LYS A 46 -10.989 -7.769 4.783 1.00 0.00 C ATOM 628 CE LYS A 46 -11.835 -6.941 3.828 1.00 0.00 C ATOM 629 NZ LYS A 46 -11.324 -7.011 2.431 1.00 0.00 N ATOM 0 H LYS A 46 -8.041 -11.367 6.551 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.912 -9.452 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.998 -11.002 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.295 -9.831 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.791 -8.798 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.333 -9.564 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.575 -8.018 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.137 -7.179 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.866 -7.295 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.845 -5.903 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.633 -6.168 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.285 -7.050 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.697 -7.864 1.967 1.00 0.00 H new ATOM 643 N VAL A 47 -7.647 -7.447 5.719 1.00 0.00 N ATOM 644 CA VAL A 47 -7.365 -6.281 6.548 1.00 0.00 C ATOM 645 C VAL A 47 -8.152 -5.065 6.073 1.00 0.00 C ATOM 646 O VAL A 47 -8.117 -4.712 4.894 1.00 0.00 O ATOM 647 CB VAL A 47 -5.863 -5.940 6.545 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.605 -4.657 7.320 1.00 0.00 C ATOM 649 CG2 VAL A 47 -5.054 -7.092 7.121 1.00 0.00 C ATOM 0 H VAL A 47 -7.503 -7.299 4.720 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.671 -6.534 7.563 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.546 -5.783 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.539 -4.432 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.154 -3.836 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.937 -4.782 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.995 -6.834 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.371 -7.283 8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.215 -7.986 6.519 1.00 0.00 H new ATOM 659 N SER A 48 -8.862 -4.427 6.999 1.00 0.00 N ATOM 660 CA SER A 48 -9.661 -3.252 6.674 1.00 0.00 C ATOM 661 C SER A 48 -9.326 -2.092 7.607 1.00 0.00 C ATOM 662 O SER A 48 -8.683 -2.279 8.640 1.00 0.00 O ATOM 663 CB SER A 48 -11.152 -3.582 6.766 1.00 0.00 C ATOM 664 OG SER A 48 -11.938 -2.553 6.189 1.00 0.00 O ATOM 0 H SER A 48 -8.900 -4.705 7.980 1.00 0.00 H new ATOM 0 HA SER A 48 -9.425 -2.953 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.351 -4.525 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.434 -3.718 7.810 1.00 0.00 H new ATOM 0 HG SER A 48 -12.887 -2.788 6.259 1.00 0.00 H new ATOM 670 N TRP A 49 -9.767 -0.896 7.235 1.00 0.00 N ATOM 671 CA TRP A 49 -9.515 0.295 8.039 1.00 0.00 C ATOM 672 C TRP A 49 -10.504 1.403 7.695 1.00 0.00 C ATOM 673 O TRP A 49 -11.297 1.273 6.762 1.00 0.00 O ATOM 674 CB TRP A 49 -8.083 0.786 7.823 1.00 0.00 C ATOM 675 CG TRP A 49 -7.779 1.122 6.394 1.00 0.00 C ATOM 676 CD1 TRP A 49 -8.075 2.286 5.745 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.121 0.283 5.438 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.641 2.222 4.443 1.00 0.00 N ATOM 679 CE2 TRP A 49 -7.052 1.004 4.230 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.582 -1.005 5.486 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.466 0.476 3.082 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.002 -1.527 4.346 1.00 0.00 C ATOM 683 CH2 TRP A 49 -5.947 -0.787 3.157 1.00 0.00 C ATOM 0 H TRP A 49 -10.300 -0.725 6.383 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.646 0.030 9.088 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.912 1.668 8.440 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.388 0.019 8.164 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.577 3.133 6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.741 2.962 3.748 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.618 -1.582 6.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.423 1.044 2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.584 -2.522 4.371 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.486 -1.223 2.283 1.00 0.00 H new ATOM 694 N LEU A 50 -10.451 2.493 8.452 1.00 0.00 N ATOM 695 CA LEU A 50 -11.343 3.625 8.226 1.00 0.00 C ATOM 696 C LEU A 50 -10.625 4.945 8.493 1.00 0.00 C ATOM 697 O LEU A 50 -9.647 5.009 9.238 1.00 0.00 O ATOM 698 CB LEU A 50 -12.578 3.514 9.122 1.00 0.00 C ATOM 699 CG LEU A 50 -13.616 2.471 8.706 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.830 2.532 9.620 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.028 2.677 7.256 1.00 0.00 C ATOM 0 H LEU A 50 -9.800 2.617 9.227 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.656 3.606 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.248 3.285 10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.065 4.488 9.158 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.166 1.482 8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.558 1.783 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.523 2.335 10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.281 3.523 9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.767 1.926 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.459 3.671 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.154 2.582 6.612 1.00 0.00 H new ATOM 713 N PRO A 51 -11.122 6.025 7.872 1.00 0.00 N ATOM 714 CA PRO A 51 -10.546 7.364 8.029 1.00 0.00 C ATOM 715 C PRO A 51 -10.780 7.936 9.423 1.00 0.00 C ATOM 716 O PRO A 51 -11.717 7.558 10.126 1.00 0.00 O ATOM 717 CB PRO A 51 -11.287 8.194 6.978 1.00 0.00 C ATOM 718 CG PRO A 51 -12.582 7.485 6.779 1.00 0.00 C ATOM 719 CD PRO A 51 -12.286 6.023 6.970 1.00 0.00 C ATOM 0 HA PRO A 51 -9.463 7.360 7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.444 9.217 7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.721 8.252 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.329 7.829 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.982 7.675 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.133 5.496 7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.060 5.532 6.024 1.00 0.00 H new ATOM 727 N PRO A 52 -9.909 8.870 9.834 1.00 0.00 N ATOM 728 CA PRO A 52 -10.001 9.515 11.147 1.00 0.00 C ATOM 729 C PRO A 52 -11.202 10.449 11.251 1.00 0.00 C ATOM 730 O PRO A 52 -11.858 10.767 10.260 1.00 0.00 O ATOM 731 CB PRO A 52 -8.696 10.309 11.244 1.00 0.00 C ATOM 732 CG PRO A 52 -8.302 10.564 9.830 1.00 0.00 C ATOM 733 CD PRO A 52 -8.768 9.368 9.048 1.00 0.00 C ATOM 0 HA PRO A 52 -10.135 8.789 11.949 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.840 11.242 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.928 9.745 11.774 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.762 11.478 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.223 10.691 9.742 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.066 9.641 8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.984 8.616 8.958 1.00 0.00 H new ATOM 741 N PRO A 53 -11.497 10.899 12.479 1.00 0.00 N ATOM 742 CA PRO A 53 -12.620 11.804 12.742 1.00 0.00 C ATOM 743 C PRO A 53 -12.382 13.201 12.180 1.00 0.00 C ATOM 744 O PRO A 53 -11.243 13.661 12.095 1.00 0.00 O ATOM 745 CB PRO A 53 -12.691 11.847 14.270 1.00 0.00 C ATOM 746 CG PRO A 53 -11.310 11.521 14.723 1.00 0.00 C ATOM 747 CD PRO A 53 -10.757 10.560 13.706 1.00 0.00 C ATOM 0 HA PRO A 53 -13.540 11.460 12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.002 12.830 14.624 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.414 11.127 14.653 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.697 12.420 14.784 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.321 11.074 15.717 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.682 10.687 13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.922 9.524 14.001 1.00 0.00 H new ATOM 755 N SER A 54 -13.464 13.873 11.797 1.00 0.00 N ATOM 756 CA SER A 54 -13.372 15.217 11.240 1.00 0.00 C ATOM 757 C SER A 54 -12.542 16.124 12.144 1.00 0.00 C ATOM 758 O SER A 54 -12.214 15.762 13.273 1.00 0.00 O ATOM 759 CB SER A 54 -14.769 15.809 11.049 1.00 0.00 C ATOM 760 OG SER A 54 -15.432 15.965 12.291 1.00 0.00 O ATOM 0 H SER A 54 -14.414 13.508 11.863 1.00 0.00 H new ATOM 0 HA SER A 54 -12.878 15.149 10.271 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.693 16.775 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.356 15.160 10.399 1.00 0.00 H new ATOM 0 HG SER A 54 -16.322 16.347 12.141 1.00 0.00 H new ATOM 766 N GLY A 55 -12.206 17.307 11.638 1.00 0.00 N ATOM 767 CA GLY A 55 -11.418 18.248 12.412 1.00 0.00 C ATOM 768 C GLY A 55 -9.932 17.959 12.337 1.00 0.00 C ATOM 769 O GLY A 55 -9.127 18.859 12.097 1.00 0.00 O ATOM 0 H GLY A 55 -12.466 17.630 10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.607 19.259 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.739 18.216 13.453 1.00 0.00 H new ATOM 773 N THR A 56 -9.565 16.698 12.545 1.00 0.00 N ATOM 774 CA THR A 56 -8.166 16.292 12.503 1.00 0.00 C ATOM 775 C THR A 56 -7.666 16.190 11.067 1.00 0.00 C ATOM 776 O THR A 56 -6.542 16.588 10.762 1.00 0.00 O ATOM 777 CB THR A 56 -7.952 14.939 13.207 1.00 0.00 C ATOM 778 OG1 THR A 56 -8.504 13.882 12.415 1.00 0.00 O ATOM 779 CG2 THR A 56 -8.597 14.938 14.585 1.00 0.00 C ATOM 0 H THR A 56 -10.218 15.940 12.744 1.00 0.00 H new ATOM 0 HA THR A 56 -7.598 17.060 13.029 1.00 0.00 H new ATOM 0 HB THR A 56 -6.880 14.781 13.325 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.481 13.962 12.397 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.433 13.972 15.063 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.153 15.725 15.195 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.668 15.116 14.486 1.00 0.00 H new ATOM 787 N GLN A 57 -8.508 15.654 10.189 1.00 0.00 N ATOM 788 CA GLN A 57 -8.150 15.499 8.784 1.00 0.00 C ATOM 789 C GLN A 57 -7.388 16.720 8.279 1.00 0.00 C ATOM 790 O GLN A 57 -7.981 17.760 7.994 1.00 0.00 O ATOM 791 CB GLN A 57 -9.404 15.280 7.937 1.00 0.00 C ATOM 792 CG GLN A 57 -9.975 13.875 8.048 1.00 0.00 C ATOM 793 CD GLN A 57 -11.278 13.713 7.290 1.00 0.00 C ATOM 794 OE1 GLN A 57 -11.772 14.657 6.673 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.842 12.511 7.331 1.00 0.00 N ATOM 0 H GLN A 57 -9.442 15.320 10.426 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.503 14.626 8.694 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.166 15.998 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.168 15.486 6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.246 13.160 7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.138 13.635 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.398 11.757 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.719 12.342 6.839 1.00 0.00 H new ATOM 804 N ASN A 58 -6.070 16.586 8.170 1.00 0.00 N ATOM 805 CA ASN A 58 -5.227 17.680 7.700 1.00 0.00 C ATOM 806 C ASN A 58 -4.779 17.441 6.261 1.00 0.00 C ATOM 807 O ASN A 58 -3.600 17.211 5.997 1.00 0.00 O ATOM 808 CB ASN A 58 -4.005 17.836 8.607 1.00 0.00 C ATOM 809 CG ASN A 58 -3.492 19.262 8.646 1.00 0.00 C ATOM 810 OD1 ASN A 58 -3.615 19.951 9.659 1.00 0.00 O ATOM 811 ND2 ASN A 58 -2.913 19.712 7.539 1.00 0.00 N ATOM 0 H ASN A 58 -5.563 15.732 8.400 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.814 18.598 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.263 17.518 9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.210 17.176 8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.548 20.664 7.505 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.833 19.106 6.723 1.00 0.00 H new ATOM 818 N GLY A 59 -5.730 17.499 5.333 1.00 0.00 N ATOM 819 CA GLY A 59 -5.414 17.287 3.933 1.00 0.00 C ATOM 820 C GLY A 59 -6.205 16.146 3.326 1.00 0.00 C ATOM 821 O GLY A 59 -6.961 15.467 4.020 1.00 0.00 O ATOM 0 H GLY A 59 -6.713 17.689 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.616 18.202 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.349 17.081 3.832 1.00 0.00 H new ATOM 825 N PHE A 60 -6.033 15.935 2.025 1.00 0.00 N ATOM 826 CA PHE A 60 -6.739 14.870 1.323 1.00 0.00 C ATOM 827 C PHE A 60 -6.056 13.524 1.547 1.00 0.00 C ATOM 828 O PHE A 60 -4.890 13.343 1.197 1.00 0.00 O ATOM 829 CB PHE A 60 -6.810 15.176 -0.174 1.00 0.00 C ATOM 830 CG PHE A 60 -7.865 14.390 -0.898 1.00 0.00 C ATOM 831 CD1 PHE A 60 -9.157 14.878 -1.009 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.566 13.162 -1.467 1.00 0.00 C ATOM 833 CE1 PHE A 60 -10.131 14.157 -1.675 1.00 0.00 C ATOM 834 CE2 PHE A 60 -8.535 12.437 -2.134 1.00 0.00 C ATOM 835 CZ PHE A 60 -9.819 12.935 -2.237 1.00 0.00 C ATOM 0 H PHE A 60 -5.411 16.488 1.436 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.751 14.815 1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.004 16.240 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.840 14.968 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.406 15.833 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.564 12.767 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.134 14.549 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.289 11.482 -2.574 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.578 12.369 -2.757 1.00 0.00 H new ATOM 845 N ILE A 61 -6.790 12.585 2.134 1.00 0.00 N ATOM 846 CA ILE A 61 -6.255 11.256 2.405 1.00 0.00 C ATOM 847 C ILE A 61 -5.910 10.528 1.110 1.00 0.00 C ATOM 848 O ILE A 61 -6.728 9.789 0.562 1.00 0.00 O ATOM 849 CB ILE A 61 -7.251 10.402 3.211 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.510 11.036 4.579 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.725 8.983 3.370 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.713 10.461 5.294 1.00 0.00 C ATOM 0 H ILE A 61 -7.756 12.720 2.431 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.348 11.395 2.994 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.194 10.360 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.628 10.903 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.652 12.109 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.440 8.392 3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.587 8.534 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.770 9.006 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.836 10.958 6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.606 10.618 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.566 9.393 5.453 1.00 0.00 H new ATOM 864 N THR A 62 -4.690 10.741 0.626 1.00 0.00 N ATOM 865 CA THR A 62 -4.235 10.105 -0.604 1.00 0.00 C ATOM 866 C THR A 62 -4.457 8.597 -0.558 1.00 0.00 C ATOM 867 O THR A 62 -5.130 8.033 -1.419 1.00 0.00 O ATOM 868 CB THR A 62 -2.742 10.385 -0.862 1.00 0.00 C ATOM 869 OG1 THR A 62 -1.974 10.053 0.299 1.00 0.00 O ATOM 870 CG2 THR A 62 -2.520 11.846 -1.223 1.00 0.00 C ATOM 0 H THR A 62 -4.000 11.349 1.067 1.00 0.00 H new ATOM 0 HA THR A 62 -4.823 10.531 -1.417 1.00 0.00 H new ATOM 0 HB THR A 62 -2.418 9.767 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.026 10.232 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.459 12.020 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.083 12.088 -2.124 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.859 12.479 -0.403 1.00 0.00 H new ATOM 878 N GLY A 63 -3.887 7.950 0.453 1.00 0.00 N ATOM 879 CA GLY A 63 -4.035 6.513 0.592 1.00 0.00 C ATOM 880 C GLY A 63 -3.823 6.044 2.018 1.00 0.00 C ATOM 881 O GLY A 63 -3.898 6.836 2.957 1.00 0.00 O ATOM 0 H GLY A 63 -3.325 8.395 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.031 6.220 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.321 6.012 -0.062 1.00 0.00 H new ATOM 885 N TYR A 64 -3.560 4.752 2.181 1.00 0.00 N ATOM 886 CA TYR A 64 -3.341 4.177 3.503 1.00 0.00 C ATOM 887 C TYR A 64 -2.106 3.282 3.510 1.00 0.00 C ATOM 888 O TYR A 64 -1.971 2.382 2.680 1.00 0.00 O ATOM 889 CB TYR A 64 -4.568 3.377 3.943 1.00 0.00 C ATOM 890 CG TYR A 64 -5.745 4.240 4.338 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.501 4.900 3.377 1.00 0.00 C ATOM 892 CD2 TYR A 64 -6.102 4.395 5.672 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.576 5.690 3.732 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.177 5.182 6.037 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.910 5.828 5.064 1.00 0.00 C ATOM 896 OH TYR A 64 -8.982 6.613 5.422 1.00 0.00 O ATOM 0 H TYR A 64 -3.493 4.083 1.414 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.178 4.995 4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.870 2.715 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.294 2.743 4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.243 4.793 2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.529 3.891 6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.152 6.197 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.442 5.291 7.078 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.709 6.044 5.750 1.00 0.00 H new ATOM 906 N LYS A 65 -1.206 3.534 4.454 1.00 0.00 N ATOM 907 CA LYS A 65 0.018 2.751 4.574 1.00 0.00 C ATOM 908 C LYS A 65 -0.250 1.425 5.279 1.00 0.00 C ATOM 909 O LYS A 65 -0.747 1.400 6.405 1.00 0.00 O ATOM 910 CB LYS A 65 1.081 3.542 5.340 1.00 0.00 C ATOM 911 CG LYS A 65 2.502 3.232 4.903 1.00 0.00 C ATOM 912 CD LYS A 65 2.956 4.155 3.784 1.00 0.00 C ATOM 913 CE LYS A 65 4.455 4.406 3.842 1.00 0.00 C ATOM 914 NZ LYS A 65 4.787 5.599 4.668 1.00 0.00 N ATOM 0 H LYS A 65 -1.301 4.275 5.148 1.00 0.00 H new ATOM 0 HA LYS A 65 0.384 2.540 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.894 4.608 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.983 3.330 6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.175 3.332 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.563 2.196 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.697 3.716 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.424 5.104 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.954 3.529 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.839 4.546 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.769 5.888 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.145 6.380 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.680 5.364 5.676 1.00 0.00 H new ATOM 928 N ILE A 66 0.082 0.326 4.610 1.00 0.00 N ATOM 929 CA ILE A 66 -0.121 -1.002 5.174 1.00 0.00 C ATOM 930 C ILE A 66 1.205 -1.736 5.342 1.00 0.00 C ATOM 931 O ILE A 66 1.810 -2.177 4.364 1.00 0.00 O ATOM 932 CB ILE A 66 -1.057 -1.851 4.293 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.278 -1.031 3.871 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.487 -3.107 5.035 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.861 -1.456 2.542 1.00 0.00 C ATOM 0 H ILE A 66 0.493 0.329 3.676 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.583 -0.863 6.151 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.515 -2.150 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.046 -1.116 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.998 0.021 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.148 -3.697 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.607 -3.698 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.014 -2.828 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.723 -0.832 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.108 -1.344 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.173 -2.499 2.598 1.00 0.00 H new ATOM 947 N ARG A 67 1.649 -1.866 6.588 1.00 0.00 N ATOM 948 CA ARG A 67 2.903 -2.548 6.884 1.00 0.00 C ATOM 949 C ARG A 67 2.649 -3.852 7.636 1.00 0.00 C ATOM 950 O ARG A 67 1.945 -3.871 8.646 1.00 0.00 O ATOM 951 CB ARG A 67 3.819 -1.642 7.709 1.00 0.00 C ATOM 952 CG ARG A 67 5.290 -2.012 7.612 1.00 0.00 C ATOM 953 CD ARG A 67 6.184 -0.851 8.019 1.00 0.00 C ATOM 954 NE ARG A 67 7.592 -1.236 8.070 1.00 0.00 N ATOM 955 CZ ARG A 67 8.573 -0.397 8.382 1.00 0.00 C ATOM 956 NH1 ARG A 67 8.300 0.868 8.671 1.00 0.00 N ATOM 957 NH2 ARG A 67 9.829 -0.822 8.407 1.00 0.00 N ATOM 0 H ARG A 67 1.159 -1.508 7.408 1.00 0.00 H new ATOM 0 HA ARG A 67 3.391 -2.783 5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.690 -0.611 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.511 -1.683 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.493 -2.871 8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.524 -2.313 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.058 -0.031 7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.874 -0.480 8.996 1.00 0.00 H new ATOM 0 HE ARG A 67 7.835 -2.203 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.335 1.198 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.055 1.511 8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.043 -1.795 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.581 -0.176 8.647 1.00 0.00 H new ATOM 971 N HIS A 68 3.226 -4.940 7.135 1.00 0.00 N ATOM 972 CA HIS A 68 3.061 -6.248 7.759 1.00 0.00 C ATOM 973 C HIS A 68 4.415 -6.907 8.003 1.00 0.00 C ATOM 974 O HIS A 68 5.260 -6.961 7.109 1.00 0.00 O ATOM 975 CB HIS A 68 2.193 -7.150 6.882 1.00 0.00 C ATOM 976 CG HIS A 68 2.921 -7.722 5.705 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.310 -6.965 4.620 1.00 0.00 N ATOM 978 CD2 HIS A 68 3.332 -8.985 5.447 1.00 0.00 C ATOM 979 CE1 HIS A 68 3.928 -7.738 3.745 1.00 0.00 C ATOM 980 NE2 HIS A 68 3.955 -8.969 4.223 1.00 0.00 N ATOM 0 H HIS A 68 3.811 -4.942 6.300 1.00 0.00 H new ATOM 0 HA HIS A 68 2.567 -6.105 8.720 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.803 -7.967 7.489 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.335 -6.580 6.526 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.196 -9.846 6.085 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.341 -7.418 2.800 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.371 -9.776 3.759 1.00 0.00 H new ATOM 989 N ARG A 69 4.615 -7.407 9.218 1.00 0.00 N ATOM 990 CA ARG A 69 5.867 -8.061 9.580 1.00 0.00 C ATOM 991 C ARG A 69 5.603 -9.354 10.346 1.00 0.00 C ATOM 992 O ARG A 69 4.685 -9.428 11.163 1.00 0.00 O ATOM 993 CB ARG A 69 6.732 -7.122 10.423 1.00 0.00 C ATOM 994 CG ARG A 69 6.065 -6.676 11.714 1.00 0.00 C ATOM 995 CD ARG A 69 7.090 -6.213 12.739 1.00 0.00 C ATOM 996 NE ARG A 69 6.542 -5.206 13.644 1.00 0.00 N ATOM 997 CZ ARG A 69 7.292 -4.381 14.366 1.00 0.00 C ATOM 998 NH1 ARG A 69 8.614 -4.444 14.290 1.00 0.00 N ATOM 999 NH2 ARG A 69 6.720 -3.491 15.167 1.00 0.00 N ATOM 0 H ARG A 69 3.926 -7.372 9.969 1.00 0.00 H new ATOM 0 HA ARG A 69 6.399 -8.306 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.670 -7.623 10.663 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.983 -6.242 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.367 -5.865 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.482 -7.499 12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.437 -7.069 13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.959 -5.803 12.224 1.00 0.00 H new ATOM 0 HE ARG A 69 5.528 -5.132 13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.058 -5.127 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.188 -3.809 14.845 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.703 -3.440 15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.297 -2.858 15.721 1.00 0.00 H new ATOM 1013 N LYS A 70 6.415 -10.370 10.077 1.00 0.00 N ATOM 1014 CA LYS A 70 6.272 -11.661 10.741 1.00 0.00 C ATOM 1015 C LYS A 70 7.310 -11.822 11.847 1.00 0.00 C ATOM 1016 O LYS A 70 8.408 -11.269 11.769 1.00 0.00 O ATOM 1017 CB LYS A 70 6.412 -12.798 9.727 1.00 0.00 C ATOM 1018 CG LYS A 70 6.751 -14.137 10.357 1.00 0.00 C ATOM 1019 CD LYS A 70 6.191 -15.293 9.545 1.00 0.00 C ATOM 1020 CE LYS A 70 7.203 -15.803 8.530 1.00 0.00 C ATOM 1021 NZ LYS A 70 7.050 -15.132 7.210 1.00 0.00 N ATOM 0 H LYS A 70 7.180 -10.325 9.403 1.00 0.00 H new ATOM 0 HA LYS A 70 5.279 -11.702 11.189 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.480 -12.894 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.188 -12.538 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.833 -14.239 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.351 -14.175 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.905 -16.104 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.286 -14.972 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.212 -15.636 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.083 -16.879 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.342 -15.783 6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.055 -14.863 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.646 -14.280 7.182 1.00 0.00 H new ATOM 1133 N MET A 77 7.637 -6.037 4.801 1.00 0.00 N ATOM 1134 CA MET A 77 7.476 -5.289 3.560 1.00 0.00 C ATOM 1135 C MET A 77 6.344 -4.274 3.679 1.00 0.00 C ATOM 1136 O MET A 77 5.250 -4.604 4.135 1.00 0.00 O ATOM 1137 CB MET A 77 7.201 -6.244 2.397 1.00 0.00 C ATOM 1138 CG MET A 77 6.851 -5.535 1.098 1.00 0.00 C ATOM 1139 SD MET A 77 7.287 -6.502 -0.360 1.00 0.00 S ATOM 1140 CE MET A 77 7.489 -5.205 -1.578 1.00 0.00 C ATOM 0 HA MET A 77 8.403 -4.750 3.367 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.079 -6.869 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.382 -6.910 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.782 -5.322 1.082 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.368 -4.576 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.761 -5.646 -2.537 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.553 -4.656 -1.683 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.276 -4.523 -1.256 1.00 0.00 H new ATOM 1150 N GLU A 78 6.615 -3.040 3.267 1.00 0.00 N ATOM 1151 CA GLU A 78 5.618 -1.978 3.329 1.00 0.00 C ATOM 1152 C GLU A 78 4.846 -1.879 2.017 1.00 0.00 C ATOM 1153 O GLU A 78 5.436 -1.837 0.937 1.00 0.00 O ATOM 1154 CB GLU A 78 6.287 -0.638 3.642 1.00 0.00 C ATOM 1155 CG GLU A 78 5.365 0.558 3.470 1.00 0.00 C ATOM 1156 CD GLU A 78 4.562 0.859 4.721 1.00 0.00 C ATOM 1157 OE1 GLU A 78 3.495 0.237 4.905 1.00 0.00 O ATOM 1158 OE2 GLU A 78 5.000 1.717 5.515 1.00 0.00 O ATOM 0 H GLU A 78 7.516 -2.751 2.887 1.00 0.00 H new ATOM 0 HA GLU A 78 4.915 -2.220 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.656 -0.657 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.154 -0.514 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.957 1.433 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.683 0.370 2.641 1.00 0.00 H new ATOM 1165 N THR A 79 3.521 -1.842 2.118 1.00 0.00 N ATOM 1166 CA THR A 79 2.666 -1.749 0.941 1.00 0.00 C ATOM 1167 C THR A 79 1.455 -0.864 1.209 1.00 0.00 C ATOM 1168 O THR A 79 0.907 -0.861 2.312 1.00 0.00 O ATOM 1169 CB THR A 79 2.182 -3.140 0.488 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.276 -4.063 0.487 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.566 -3.072 -0.901 1.00 0.00 C ATOM 0 H THR A 79 3.016 -1.875 3.004 1.00 0.00 H new ATOM 0 HA THR A 79 3.267 -1.305 0.148 1.00 0.00 H new ATOM 0 HB THR A 79 1.421 -3.482 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.960 -4.945 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.232 -4.065 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.715 -2.391 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.309 -2.711 -1.611 1.00 0.00 H new ATOM 1179 N LEU A 80 1.040 -0.113 0.194 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.108 0.777 0.320 1.00 0.00 C ATOM 1181 C LEU A 80 -1.019 0.667 -0.899 1.00 0.00 C ATOM 1182 O LEU A 80 -0.547 0.566 -2.031 1.00 0.00 O ATOM 1183 CB LEU A 80 0.359 2.223 0.492 1.00 0.00 C ATOM 1184 CG LEU A 80 1.079 2.843 -0.706 1.00 0.00 C ATOM 1185 CD1 LEU A 80 0.083 3.521 -1.634 1.00 0.00 C ATOM 1186 CD2 LEU A 80 2.135 3.834 -0.239 1.00 0.00 C ATOM 0 H LEU A 80 1.482 -0.103 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.674 0.477 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.509 2.839 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.025 2.269 1.354 1.00 0.00 H new ATOM 0 HG LEU A 80 1.576 2.046 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.613 3.957 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.636 2.786 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.443 4.307 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.637 4.265 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.660 4.628 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.866 3.320 0.385 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.326 0.688 -0.658 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.302 0.592 -1.737 1.00 0.00 C ATOM 1200 C GLU A 81 -4.355 1.690 -1.618 1.00 0.00 C ATOM 1201 O GLU A 81 -5.284 1.610 -0.815 1.00 0.00 O ATOM 1202 CB GLU A 81 -3.978 -0.781 -1.723 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.156 -0.890 -2.676 1.00 0.00 C ATOM 1204 CD GLU A 81 -4.734 -1.266 -4.084 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -3.697 -0.748 -4.550 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -5.440 -2.077 -4.718 1.00 0.00 O ATOM 0 H GLU A 81 -2.733 0.771 0.274 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.774 0.720 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.241 -1.542 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.319 -0.998 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.856 -1.636 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.687 0.061 -2.702 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.207 2.742 -2.437 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.134 3.878 -2.444 1.00 0.00 C ATOM 1215 C PRO A 82 -6.501 3.506 -3.008 1.00 0.00 C ATOM 1216 O PRO A 82 -7.531 3.975 -2.524 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.441 4.897 -3.350 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.571 4.081 -4.243 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.123 2.904 -3.421 1.00 0.00 C ATOM 0 HA PRO A 82 -5.332 4.248 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.166 5.474 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.855 5.609 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.117 3.754 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.717 4.661 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.999 2.011 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.165 3.094 -2.936 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.503 2.661 -4.034 1.00 0.00 N ATOM 1228 CA ASN A 83 -7.744 2.227 -4.664 1.00 0.00 C ATOM 1229 C ASN A 83 -8.841 2.025 -3.623 1.00 0.00 C ATOM 1230 O ASN A 83 -9.809 2.782 -3.572 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.519 0.929 -5.442 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.504 1.092 -6.557 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.472 0.420 -6.575 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -6.792 1.988 -7.493 1.00 0.00 N ATOM 0 H ASN A 83 -5.659 2.263 -4.446 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.063 3.007 -5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.180 0.152 -4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.466 0.592 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.146 2.142 -8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.659 2.522 -7.438 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.682 0.998 -2.795 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.658 0.696 -1.755 1.00 0.00 C ATOM 1243 C ASN A 84 -9.032 0.817 -0.369 1.00 0.00 C ATOM 1244 O ASN A 84 -7.827 1.034 -0.237 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.224 -0.712 -1.950 1.00 0.00 C ATOM 1246 CG ASN A 84 -10.861 -0.896 -3.314 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -11.796 -0.182 -3.676 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -10.355 -1.857 -4.079 1.00 0.00 N ATOM 0 H ASN A 84 -7.886 0.361 -2.824 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.469 1.420 -1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.425 -1.442 -1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.965 -0.913 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.742 -2.027 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.579 -2.425 -3.738 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.858 0.675 0.662 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.386 0.767 2.039 1.00 0.00 C ATOM 1257 C LEU A 85 -9.208 -0.620 2.648 1.00 0.00 C ATOM 1258 O LEU A 85 -9.193 -0.775 3.869 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.366 1.585 2.882 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.902 2.863 2.236 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.167 3.328 2.941 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.844 3.956 2.260 1.00 0.00 C ATOM 0 H LEU A 85 -10.858 0.496 0.570 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.418 1.267 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.213 0.948 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.874 1.853 3.817 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.149 2.646 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.534 4.239 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.928 2.551 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.947 3.528 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.242 4.858 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.566 4.171 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.964 3.623 1.709 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.072 -1.624 1.790 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.893 -2.999 2.244 1.00 0.00 C ATOM 1276 C TRP A 86 -7.879 -3.732 1.373 1.00 0.00 C ATOM 1277 O TRP A 86 -7.782 -3.482 0.171 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.230 -3.742 2.226 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.762 -3.975 0.844 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.623 -3.172 0.151 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.469 -5.085 -0.011 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.883 -3.717 -1.084 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.186 -4.890 -1.208 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.670 -6.224 0.117 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -11.127 -5.793 -2.266 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.612 -7.119 -0.934 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.337 -6.899 -2.114 1.00 0.00 C ATOM 0 H TRP A 86 -9.082 -1.513 0.776 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.514 -2.971 3.266 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.111 -4.702 2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -10.962 -3.172 2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.038 -2.245 0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.495 -3.314 -1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.108 -6.402 1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.686 -5.626 -3.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.998 -8.003 -0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.270 -7.617 -2.918 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.125 -4.637 1.986 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.116 -5.405 1.266 1.00 0.00 C ATOM 1300 C TYR A 87 -6.053 -6.840 1.781 1.00 0.00 C ATOM 1301 O TYR A 87 -5.734 -7.081 2.946 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.744 -4.742 1.405 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.782 -5.102 0.296 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.567 -6.428 -0.060 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -3.087 -4.118 -0.395 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.688 -6.763 -1.072 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.207 -4.443 -1.409 1.00 0.00 C ATOM 1308 CZ TYR A 87 -2.011 -5.767 -1.743 1.00 0.00 C ATOM 1309 OH TYR A 87 -1.134 -6.095 -2.752 1.00 0.00 O ATOM 0 H TYR A 87 -7.193 -4.857 2.980 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.397 -5.427 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.873 -3.660 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.307 -5.029 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.096 -7.210 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.237 -3.081 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.532 -7.799 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.676 -3.665 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.741 -5.277 -3.122 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.360 -7.790 0.904 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.338 -9.202 1.268 1.00 0.00 C ATOM 1321 C LEU A 88 -4.990 -9.832 0.929 1.00 0.00 C ATOM 1322 O LEU A 88 -4.567 -9.831 -0.227 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.460 -9.952 0.547 1.00 0.00 C ATOM 1324 CG LEU A 88 -7.774 -11.354 1.069 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -8.829 -11.292 2.163 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.233 -12.256 -0.067 1.00 0.00 C ATOM 0 H LEU A 88 -6.627 -7.608 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.492 -9.276 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.368 -9.352 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.198 -10.029 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.863 -11.775 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.040 -12.299 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.462 -10.681 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.742 -10.851 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.452 -13.250 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.131 -11.839 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.445 -12.326 -0.817 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.322 -10.369 1.944 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.023 -11.003 1.753 1.00 0.00 C ATOM 1340 C PHE A 89 -3.162 -12.522 1.698 1.00 0.00 C ATOM 1341 O PHE A 89 -3.644 -13.149 2.641 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.069 -10.609 2.882 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.479 -9.237 2.716 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.297 -9.057 2.016 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.106 -8.128 3.262 1.00 0.00 C ATOM 1346 CE1 PHE A 89 0.249 -7.797 1.861 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -1.565 -6.866 3.110 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.386 -6.700 2.410 1.00 0.00 C ATOM 0 H PHE A 89 -4.658 -10.378 2.907 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.614 -10.658 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.603 -10.654 3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.261 -11.339 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.204 -9.912 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.027 -8.252 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.170 -7.670 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.064 -6.009 3.538 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.039 -5.714 2.292 1.00 0.00 H new ATOM 1358 N THR A 90 -2.736 -13.109 0.583 1.00 0.00 N ATOM 1359 CA THR A 90 -2.814 -14.553 0.402 1.00 0.00 C ATOM 1360 C THR A 90 -1.424 -15.168 0.287 1.00 0.00 C ATOM 1361 O THR A 90 -0.435 -14.461 0.097 1.00 0.00 O ATOM 1362 CB THR A 90 -3.629 -14.918 -0.853 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.205 -14.120 -1.963 1.00 0.00 O ATOM 1364 CG2 THR A 90 -5.117 -14.710 -0.611 1.00 0.00 C ATOM 0 H THR A 90 -2.334 -12.606 -0.208 1.00 0.00 H new ATOM 0 HA THR A 90 -3.315 -14.956 1.282 1.00 0.00 H new ATOM 0 HB THR A 90 -3.457 -15.971 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.727 -14.360 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.672 -14.974 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.443 -15.342 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.303 -13.665 -0.364 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.356 -16.491 0.404 1.00 0.00 N ATOM 1373 CA GLY A 91 -0.082 -17.179 0.310 1.00 0.00 C ATOM 1374 C GLY A 91 0.723 -17.086 1.591 1.00 0.00 C ATOM 1375 O GLY A 91 1.853 -16.595 1.589 1.00 0.00 O ATOM 0 H GLY A 91 -2.160 -17.098 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.256 -18.228 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.497 -16.755 -0.511 1.00 0.00 H new ATOM 1379 N LEU A 92 0.142 -17.557 2.688 1.00 0.00 N ATOM 1380 CA LEU A 92 0.812 -17.523 3.984 1.00 0.00 C ATOM 1381 C LEU A 92 1.067 -18.935 4.502 1.00 0.00 C ATOM 1382 O LEU A 92 0.260 -19.839 4.289 1.00 0.00 O ATOM 1383 CB LEU A 92 -0.028 -16.741 4.994 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.599 -15.409 4.504 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.587 -14.849 5.515 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.521 -14.413 4.241 1.00 0.00 C ATOM 0 H LEU A 92 -0.792 -17.967 2.707 1.00 0.00 H new ATOM 0 HA LEU A 92 1.772 -17.024 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.857 -17.373 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.585 -16.549 5.875 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.129 -15.584 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.983 -13.901 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.406 -15.555 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.081 -14.688 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.096 -13.471 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.079 -14.241 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.191 -14.812 3.480 1.00 0.00 H new ATOM 1398 N GLU A 93 2.193 -19.115 5.186 1.00 0.00 N ATOM 1399 CA GLU A 93 2.552 -20.417 5.735 1.00 0.00 C ATOM 1400 C GLU A 93 1.815 -20.676 7.046 1.00 0.00 C ATOM 1401 O GLU A 93 2.091 -20.041 8.064 1.00 0.00 O ATOM 1402 CB GLU A 93 4.063 -20.500 5.962 1.00 0.00 C ATOM 1403 CG GLU A 93 4.546 -21.891 6.340 1.00 0.00 C ATOM 1404 CD GLU A 93 4.076 -22.956 5.368 1.00 0.00 C ATOM 1405 OE1 GLU A 93 4.609 -23.008 4.241 1.00 0.00 O ATOM 1406 OE2 GLU A 93 3.173 -23.737 5.736 1.00 0.00 O ATOM 0 H GLU A 93 2.871 -18.376 5.373 1.00 0.00 H new ATOM 0 HA GLU A 93 2.257 -21.181 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.576 -20.180 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.343 -19.801 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.635 -21.895 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.190 -22.135 7.341 1.00 0.00 H new ATOM 1413 N LYS A 94 0.874 -21.614 7.013 1.00 0.00 N ATOM 1414 CA LYS A 94 0.096 -21.959 8.197 1.00 0.00 C ATOM 1415 C LYS A 94 0.986 -22.024 9.434 1.00 0.00 C ATOM 1416 O LYS A 94 2.178 -22.315 9.338 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.612 -23.301 7.994 1.00 0.00 C ATOM 1418 CG LYS A 94 0.339 -24.482 7.901 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.401 -25.771 7.585 1.00 0.00 C ATOM 1420 CE LYS A 94 0.501 -26.773 6.881 1.00 0.00 C ATOM 1421 NZ LYS A 94 1.454 -27.419 7.824 1.00 0.00 N ATOM 0 H LYS A 94 0.632 -22.149 6.179 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.651 -21.180 8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.304 -23.466 8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.209 -23.253 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.084 -24.290 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.877 -24.592 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.782 -26.209 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.264 -25.552 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.110 -27.538 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.057 -26.268 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.051 -28.095 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.055 -26.692 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.923 -27.922 8.564 1.00 0.00 H new ATOM 1435 N GLY A 95 0.399 -21.752 10.595 1.00 0.00 N ATOM 1436 CA GLY A 95 1.154 -21.786 11.834 1.00 0.00 C ATOM 1437 C GLY A 95 2.240 -20.729 11.881 1.00 0.00 C ATOM 1438 O GLY A 95 3.413 -21.044 12.081 1.00 0.00 O ATOM 0 H GLY A 95 -0.586 -21.509 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 95 0.474 -21.642 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.605 -22.771 11.954 1.00 0.00 H new ATOM 1442 N SER A 96 1.849 -19.473 11.694 1.00 0.00 N ATOM 1443 CA SER A 96 2.799 -18.366 11.710 1.00 0.00 C ATOM 1444 C SER A 96 2.165 -17.115 12.309 1.00 0.00 C ATOM 1445 O SER A 96 0.950 -16.928 12.239 1.00 0.00 O ATOM 1446 CB SER A 96 3.295 -18.072 10.293 1.00 0.00 C ATOM 1447 OG SER A 96 4.445 -18.841 9.985 1.00 0.00 O ATOM 0 H SER A 96 0.881 -19.196 11.530 1.00 0.00 H new ATOM 0 HA SER A 96 3.647 -18.655 12.331 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.505 -18.291 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.527 -17.011 10.198 1.00 0.00 H new ATOM 0 HG SER A 96 4.437 -19.667 10.512 1.00 0.00 H new ATOM 1453 N GLN A 97 2.996 -16.262 12.899 1.00 0.00 N ATOM 1454 CA GLN A 97 2.518 -15.029 13.511 1.00 0.00 C ATOM 1455 C GLN A 97 2.810 -13.828 12.618 1.00 0.00 C ATOM 1456 O GLN A 97 3.966 -13.449 12.429 1.00 0.00 O ATOM 1457 CB GLN A 97 3.167 -14.829 14.882 1.00 0.00 C ATOM 1458 CG GLN A 97 2.400 -13.879 15.786 1.00 0.00 C ATOM 1459 CD GLN A 97 2.868 -13.939 17.227 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.756 -14.718 17.571 1.00 0.00 O ATOM 1461 NE2 GLN A 97 2.271 -13.113 18.079 1.00 0.00 N ATOM 0 H GLN A 97 4.004 -16.403 12.966 1.00 0.00 H new ATOM 0 HA GLN A 97 1.438 -15.112 13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.256 -15.796 15.377 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.179 -14.448 14.743 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.511 -12.860 15.414 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.338 -14.120 15.743 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.539 -12.483 17.751 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.545 -13.108 19.062 1.00 0.00 H new ATOM 1470 N TYR A 98 1.755 -13.234 12.070 1.00 0.00 N ATOM 1471 CA TYR A 98 1.899 -12.078 11.194 1.00 0.00 C ATOM 1472 C TYR A 98 1.320 -10.825 11.845 1.00 0.00 C ATOM 1473 O TYR A 98 0.406 -10.905 12.665 1.00 0.00 O ATOM 1474 CB TYR A 98 1.205 -12.337 9.855 1.00 0.00 C ATOM 1475 CG TYR A 98 1.916 -13.355 8.993 1.00 0.00 C ATOM 1476 CD1 TYR A 98 2.932 -12.973 8.126 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.571 -14.700 9.045 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.583 -13.900 7.335 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.218 -15.635 8.260 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.222 -15.230 7.406 1.00 0.00 C ATOM 1481 OH TYR A 98 3.870 -16.157 6.621 1.00 0.00 O ATOM 0 H TYR A 98 0.791 -13.534 12.217 1.00 0.00 H new ATOM 0 HA TYR A 98 2.963 -11.917 11.020 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.187 -12.679 10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.129 -11.398 9.307 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.218 -11.933 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.783 -15.020 9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.370 -13.586 6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.939 -16.677 8.315 1.00 0.00 H new ATOM 0 HH TYR A 98 3.498 -17.047 6.791 1.00 0.00 H new ATOM 1491 N SER A 99 1.859 -9.669 11.472 1.00 0.00 N ATOM 1492 CA SER A 99 1.400 -8.399 12.021 1.00 0.00 C ATOM 1493 C SER A 99 0.987 -7.443 10.906 1.00 0.00 C ATOM 1494 O SER A 99 1.348 -7.632 9.745 1.00 0.00 O ATOM 1495 CB SER A 99 2.498 -7.761 12.875 1.00 0.00 C ATOM 1496 OG SER A 99 2.571 -8.372 14.151 1.00 0.00 O ATOM 0 H SER A 99 2.614 -9.586 10.792 1.00 0.00 H new ATOM 0 HA SER A 99 0.530 -8.596 12.648 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.458 -7.855 12.368 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.301 -6.695 12.989 1.00 0.00 H new ATOM 0 HG SER A 99 3.281 -7.948 14.677 1.00 0.00 H new ATOM 1502 N PHE A 100 0.226 -6.415 11.269 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.239 -5.429 10.300 1.00 0.00 C ATOM 1504 C PHE A 100 -0.257 -4.032 10.913 1.00 0.00 C ATOM 1505 O PHE A 100 -0.100 -3.872 12.123 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.636 -5.796 9.797 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.684 -7.103 9.059 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.602 -8.304 9.745 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.810 -7.131 7.680 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.646 -9.510 9.069 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.854 -8.333 6.999 1.00 0.00 C ATOM 1512 CZ PHE A 100 -1.771 -9.524 7.694 1.00 0.00 C ATOM 0 H PHE A 100 -0.081 -6.243 12.226 1.00 0.00 H new ATOM 0 HA PHE A 100 0.453 -5.429 9.458 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.318 -5.842 10.646 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.997 -5.004 9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.503 -8.298 10.820 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.875 -6.203 7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.583 -10.439 9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.953 -8.341 5.924 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.804 -10.464 7.163 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.449 -3.024 10.068 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.487 -1.640 10.525 1.00 0.00 C ATOM 1524 C GLN A 101 -1.161 -0.743 9.493 1.00 0.00 C ATOM 1525 O GLN A 101 -1.058 -0.979 8.289 1.00 0.00 O ATOM 1526 CB GLN A 101 0.929 -1.136 10.810 1.00 0.00 C ATOM 1527 CG GLN A 101 0.970 0.087 11.711 1.00 0.00 C ATOM 1528 CD GLN A 101 2.364 0.669 11.843 1.00 0.00 C ATOM 1529 OE1 GLN A 101 2.896 1.257 10.900 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.965 0.507 13.016 1.00 0.00 N ATOM 0 H GLN A 101 -0.581 -3.140 9.063 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.070 -1.604 11.445 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.505 -1.937 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.418 -0.897 9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.299 0.849 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.598 -0.182 12.699 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.487 0.013 13.770 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.904 0.876 13.163 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.851 0.287 9.971 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.542 1.221 9.090 1.00 0.00 C ATOM 1541 C VAL A 102 -2.356 2.659 9.558 1.00 0.00 C ATOM 1542 O VAL A 102 -2.343 2.936 10.757 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.048 0.909 9.011 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.730 1.819 8.001 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.271 -0.554 8.659 1.00 0.00 C ATOM 0 H VAL A 102 -1.947 0.496 10.965 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.102 1.105 8.099 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.492 1.095 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.793 1.584 7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.600 2.859 8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.286 1.668 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.341 -0.757 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.814 -0.770 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.818 -1.185 9.424 1.00 0.00 H new ATOM 1555 N SER A 103 -2.211 3.573 8.603 1.00 0.00 N ATOM 1556 CA SER A 103 -2.022 4.984 8.918 1.00 0.00 C ATOM 1557 C SER A 103 -2.579 5.868 7.806 1.00 0.00 C ATOM 1558 O SER A 103 -2.252 5.689 6.633 1.00 0.00 O ATOM 1559 CB SER A 103 -0.538 5.287 9.130 1.00 0.00 C ATOM 1560 OG SER A 103 -0.336 6.653 9.449 1.00 0.00 O ATOM 0 H SER A 103 -2.221 3.361 7.605 1.00 0.00 H new ATOM 0 HA SER A 103 -2.565 5.201 9.838 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.147 4.661 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.020 5.035 8.228 1.00 0.00 H new ATOM 0 HG SER A 103 -0.389 6.773 10.420 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.423 6.822 8.184 1.00 0.00 N ATOM 1567 CA ALA A 104 -4.025 7.736 7.221 1.00 0.00 C ATOM 1568 C ALA A 104 -3.027 8.800 6.776 1.00 0.00 C ATOM 1569 O ALA A 104 -2.594 9.630 7.574 1.00 0.00 O ATOM 1570 CB ALA A 104 -5.265 8.388 7.815 1.00 0.00 C ATOM 0 H ALA A 104 -3.706 6.982 9.151 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.317 7.159 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.704 9.068 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.991 7.618 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.989 8.946 8.710 1.00 0.00 H new ATOM 1576 N MET A 105 -2.666 8.768 5.497 1.00 0.00 N ATOM 1577 CA MET A 105 -1.719 9.731 4.947 1.00 0.00 C ATOM 1578 C MET A 105 -2.405 10.659 3.950 1.00 0.00 C ATOM 1579 O MET A 105 -3.309 10.247 3.221 1.00 0.00 O ATOM 1580 CB MET A 105 -0.557 9.004 4.268 1.00 0.00 C ATOM 1581 CG MET A 105 -0.940 8.336 2.958 1.00 0.00 C ATOM 1582 SD MET A 105 0.346 7.232 2.339 1.00 0.00 S ATOM 1583 CE MET A 105 -0.136 5.687 3.106 1.00 0.00 C ATOM 0 H MET A 105 -3.015 8.086 4.823 1.00 0.00 H new ATOM 0 HA MET A 105 -1.332 10.333 5.769 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.247 9.716 4.082 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.163 8.250 4.949 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.862 7.771 3.098 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.146 9.102 2.211 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.575 4.908 2.833 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.145 5.806 4.189 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.132 5.406 2.763 1.00 0.00 H new ATOM 1593 N THR A 106 -1.971 11.916 3.922 1.00 0.00 N ATOM 1594 CA THR A 106 -2.545 12.902 3.015 1.00 0.00 C ATOM 1595 C THR A 106 -1.509 13.392 2.009 1.00 0.00 C ATOM 1596 O THR A 106 -0.381 12.901 1.976 1.00 0.00 O ATOM 1597 CB THR A 106 -3.108 14.112 3.785 1.00 0.00 C ATOM 1598 OG1 THR A 106 -2.065 14.747 4.532 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.224 13.682 4.726 1.00 0.00 C ATOM 0 H THR A 106 -1.224 12.275 4.517 1.00 0.00 H new ATOM 0 HA THR A 106 -3.358 12.408 2.484 1.00 0.00 H new ATOM 0 HB THR A 106 -3.516 14.818 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.028 15.698 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.606 14.553 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.030 13.226 4.151 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.836 12.959 5.443 1.00 0.00 H new ATOM 1607 N VAL A 107 -1.900 14.364 1.191 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.004 14.922 0.184 1.00 0.00 C ATOM 1609 C VAL A 107 0.291 15.419 0.817 1.00 0.00 C ATOM 1610 O VAL A 107 1.313 15.544 0.144 1.00 0.00 O ATOM 1611 CB VAL A 107 -1.670 16.084 -0.577 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -2.853 15.581 -1.390 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -2.102 17.175 0.390 1.00 0.00 C ATOM 0 H VAL A 107 -2.831 14.781 1.206 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.777 14.120 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.941 16.510 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.311 16.416 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.510 14.838 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.587 15.129 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.571 17.988 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.815 16.766 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.230 17.555 0.923 1.00 0.00 H new ATOM 1623 N ASN A 108 0.240 15.700 2.115 1.00 0.00 N ATOM 1624 CA ASN A 108 1.410 16.183 2.839 1.00 0.00 C ATOM 1625 C ASN A 108 2.372 15.039 3.144 1.00 0.00 C ATOM 1626 O ASN A 108 3.527 15.056 2.721 1.00 0.00 O ATOM 1627 CB ASN A 108 0.984 16.867 4.140 1.00 0.00 C ATOM 1628 CG ASN A 108 -0.146 17.857 3.930 1.00 0.00 C ATOM 1629 OD1 ASN A 108 -1.250 17.674 4.443 1.00 0.00 O ATOM 1630 ND2 ASN A 108 0.126 18.912 3.172 1.00 0.00 N ATOM 0 H ASN A 108 -0.599 15.602 2.687 1.00 0.00 H new ATOM 0 HA ASN A 108 1.924 16.907 2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.671 16.110 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.840 17.384 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -0.595 19.612 2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.056 19.023 2.767 1.00 0.00 H new ATOM 1637 N GLY A 109 1.886 14.045 3.881 1.00 0.00 N ATOM 1638 CA GLY A 109 2.716 12.907 4.230 1.00 0.00 C ATOM 1639 C GLY A 109 1.930 11.803 4.909 1.00 0.00 C ATOM 1640 O GLY A 109 0.701 11.764 4.828 1.00 0.00 O ATOM 0 H GLY A 109 0.933 14.008 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.185 12.513 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.519 13.236 4.890 1.00 0.00 H new ATOM 1644 N THR A 110 2.638 10.901 5.581 1.00 0.00 N ATOM 1645 CA THR A 110 2.000 9.789 6.275 1.00 0.00 C ATOM 1646 C THR A 110 1.985 10.018 7.782 1.00 0.00 C ATOM 1647 O THR A 110 3.035 10.097 8.418 1.00 0.00 O ATOM 1648 CB THR A 110 2.712 8.457 5.976 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.324 8.508 4.682 1.00 0.00 O ATOM 1650 CG2 THR A 110 1.732 7.295 6.033 1.00 0.00 C ATOM 0 H THR A 110 3.655 10.919 5.659 1.00 0.00 H new ATOM 0 HA THR A 110 0.975 9.734 5.908 1.00 0.00 H new ATOM 0 HB THR A 110 3.479 8.302 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.291 8.375 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.258 6.365 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.290 7.241 7.028 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.945 7.446 5.294 1.00 0.00 H new ATOM 1658 N GLY A 111 0.787 10.122 8.349 1.00 0.00 N ATOM 1659 CA GLY A 111 0.659 10.340 9.778 1.00 0.00 C ATOM 1660 C GLY A 111 1.295 9.231 10.592 1.00 0.00 C ATOM 1661 O GLY A 111 1.966 8.347 10.060 1.00 0.00 O ATOM 0 H GLY A 111 -0.097 10.059 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.123 11.291 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.397 10.418 10.038 1.00 0.00 H new ATOM 1665 N PRO A 112 1.087 9.271 11.917 1.00 0.00 N ATOM 1666 CA PRO A 112 1.639 8.270 12.835 1.00 0.00 C ATOM 1667 C PRO A 112 0.974 6.907 12.673 1.00 0.00 C ATOM 1668 O PRO A 112 -0.224 6.801 12.412 1.00 0.00 O ATOM 1669 CB PRO A 112 1.335 8.852 14.218 1.00 0.00 C ATOM 1670 CG PRO A 112 0.153 9.733 14.007 1.00 0.00 C ATOM 1671 CD PRO A 112 0.298 10.296 12.620 1.00 0.00 C ATOM 0 HA PRO A 112 2.699 8.092 12.656 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.118 8.065 14.940 1.00 0.00 H new ATOM 0 HB3 PRO A 112 2.184 9.415 14.606 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.775 9.170 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 112 0.123 10.530 14.750 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.671 10.452 12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.807 11.260 12.629 1.00 0.00 H new ATOM 1679 N PRO A 113 1.769 5.838 12.832 1.00 0.00 N ATOM 1680 CA PRO A 113 1.279 4.462 12.708 1.00 0.00 C ATOM 1681 C PRO A 113 0.357 4.070 13.858 1.00 0.00 C ATOM 1682 O PRO A 113 0.579 4.458 15.005 1.00 0.00 O ATOM 1683 CB PRO A 113 2.560 3.625 12.740 1.00 0.00 C ATOM 1684 CG PRO A 113 3.542 4.464 13.482 1.00 0.00 C ATOM 1685 CD PRO A 113 3.207 5.890 13.144 1.00 0.00 C ATOM 0 HA PRO A 113 0.684 4.320 11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.397 2.671 13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.912 3.401 11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.471 4.290 14.556 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.563 4.223 13.187 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.413 6.560 13.979 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.789 6.249 12.296 1.00 0.00 H new ATOM 1693 N SER A 114 -0.678 3.297 13.544 1.00 0.00 N ATOM 1694 CA SER A 114 -1.635 2.855 14.551 1.00 0.00 C ATOM 1695 C SER A 114 -1.092 1.662 15.331 1.00 0.00 C ATOM 1696 O SER A 114 -0.073 1.078 14.963 1.00 0.00 O ATOM 1697 CB SER A 114 -2.966 2.485 13.892 1.00 0.00 C ATOM 1698 OG SER A 114 -2.896 1.206 13.285 1.00 0.00 O ATOM 0 H SER A 114 -0.875 2.964 12.600 1.00 0.00 H new ATOM 0 HA SER A 114 -1.798 3.678 15.247 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.760 2.494 14.639 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.225 3.233 13.143 1.00 0.00 H new ATOM 0 HG SER A 114 -3.610 1.120 12.619 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.779 1.306 16.411 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.366 0.183 17.245 1.00 0.00 C ATOM 1706 C ASN A 115 -0.937 -1.003 16.386 1.00 0.00 C ATOM 1707 O ASN A 115 -1.487 -1.234 15.310 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.505 -0.233 18.177 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.703 0.743 19.320 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -1.905 1.660 19.513 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -3.771 0.549 20.085 1.00 0.00 N ATOM 0 H ASN A 115 -2.625 1.779 16.730 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.513 0.502 17.845 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.429 -0.310 17.605 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.297 -1.224 18.581 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.956 1.174 20.870 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.406 -0.225 19.888 1.00 0.00 H new ATOM 1718 N TRP A 116 0.048 -1.751 16.870 1.00 0.00 N ATOM 1719 CA TRP A 116 0.551 -2.913 16.147 1.00 0.00 C ATOM 1720 C TRP A 116 -0.297 -4.146 16.442 1.00 0.00 C ATOM 1721 O TRP A 116 -0.164 -4.765 17.498 1.00 0.00 O ATOM 1722 CB TRP A 116 2.009 -3.181 16.522 1.00 0.00 C ATOM 1723 CG TRP A 116 2.989 -2.437 15.665 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.778 -1.389 16.044 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.281 -2.684 14.286 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.543 -0.969 14.983 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.257 -1.748 13.893 1.00 0.00 C ATOM 1728 CE3 TRP A 116 2.814 -3.605 13.344 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.773 -1.708 12.600 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.326 -3.564 12.061 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.298 -2.622 11.699 1.00 0.00 C ATOM 0 H TRP A 116 0.514 -1.574 17.760 1.00 0.00 H new ATOM 0 HA TRP A 116 0.491 -2.700 15.080 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.165 -2.904 17.565 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.206 -4.250 16.443 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.798 -0.954 17.032 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.215 -0.202 15.003 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.066 -4.336 13.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.521 -0.982 12.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.971 -4.270 11.325 1.00 0.00 H new ATOM 0 HH2 TRP A 116 4.680 -2.617 10.689 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.169 -4.498 15.503 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.040 -5.656 15.664 1.00 0.00 C ATOM 1744 C TYR A 117 -1.360 -6.924 15.156 1.00 0.00 C ATOM 1745 O TYR A 117 -0.515 -6.875 14.262 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.357 -5.436 14.918 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.244 -4.388 15.551 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.984 -3.034 15.379 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.343 -4.752 16.320 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.791 -2.073 15.956 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -6.156 -3.797 16.900 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.876 -2.459 16.715 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.683 -1.505 17.291 1.00 0.00 O ATOM 0 H TYR A 117 -1.291 -3.998 14.623 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.248 -5.778 16.727 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.139 -5.143 13.891 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.900 -6.380 14.871 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.136 -2.728 14.784 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.565 -5.799 16.467 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.574 -1.025 15.814 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -7.006 -4.097 17.495 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.402 -1.944 17.791 1.00 0.00 H new ATOM 1763 N THR A 118 -1.735 -8.061 15.734 1.00 0.00 N ATOM 1764 CA THR A 118 -1.163 -9.342 15.342 1.00 0.00 C ATOM 1765 C THR A 118 -2.239 -10.418 15.244 1.00 0.00 C ATOM 1766 O THR A 118 -3.196 -10.424 16.017 1.00 0.00 O ATOM 1767 CB THR A 118 -0.083 -9.803 16.339 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.973 -8.837 16.399 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.484 -11.156 15.935 1.00 0.00 C ATOM 0 H THR A 118 -2.433 -8.120 16.476 1.00 0.00 H new ATOM 0 HA THR A 118 -0.706 -9.198 14.363 1.00 0.00 H new ATOM 0 HB THR A 118 -0.544 -9.898 17.322 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.432 -8.799 15.534 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.245 -11.461 16.654 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.317 -11.896 15.918 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.931 -11.082 14.943 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.075 -11.326 14.287 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.032 -12.408 14.090 1.00 0.00 C ATOM 1779 C ALA A 119 -2.321 -13.712 13.745 1.00 0.00 C ATOM 1780 O ALA A 119 -1.364 -13.722 12.973 1.00 0.00 O ATOM 1781 CB ALA A 119 -4.025 -12.041 12.997 1.00 0.00 C ATOM 0 H ALA A 119 -1.289 -11.334 13.637 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.574 -12.556 15.024 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.734 -12.858 12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.563 -11.137 13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.490 -11.865 12.064 1.00 0.00 H new ATOM 1787 N GLU A 120 -2.797 -14.811 14.324 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.205 -16.120 14.078 1.00 0.00 C ATOM 1789 C GLU A 120 -3.083 -16.948 13.145 1.00 0.00 C ATOM 1790 O GLU A 120 -4.294 -17.054 13.344 1.00 0.00 O ATOM 1791 CB GLU A 120 -1.998 -16.867 15.398 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.030 -16.176 16.343 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.639 -14.961 17.016 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -2.862 -14.974 17.268 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -0.893 -13.998 17.290 1.00 0.00 O ATOM 0 H GLU A 120 -3.590 -14.820 14.966 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.238 -15.968 13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.961 -16.980 15.896 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.630 -17.870 15.184 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.704 -16.884 17.105 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.141 -15.873 15.789 1.00 0.00 H new ATOM 1802 N THR A 121 -2.465 -17.533 12.123 1.00 0.00 N ATOM 1803 CA THR A 121 -3.189 -18.350 11.158 1.00 0.00 C ATOM 1804 C THR A 121 -3.483 -19.736 11.720 1.00 0.00 C ATOM 1805 O THR A 121 -2.677 -20.322 12.443 1.00 0.00 O ATOM 1806 CB THR A 121 -2.399 -18.498 9.843 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.057 -18.911 10.122 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.382 -17.187 9.072 1.00 0.00 C ATOM 0 H THR A 121 -1.464 -17.456 11.943 1.00 0.00 H new ATOM 0 HA THR A 121 -4.129 -17.838 10.953 1.00 0.00 H new ATOM 0 HB THR A 121 -2.891 -19.254 9.232 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.562 -19.004 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.819 -17.316 8.148 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.404 -16.890 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.911 -16.414 9.679 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.663 -20.275 11.381 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.090 -21.600 11.841 1.00 0.00 C ATOM 1818 C PRO A 122 -4.282 -22.723 11.201 1.00 0.00 C ATOM 1819 O PRO A 122 -4.248 -22.855 9.978 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.554 -21.674 11.400 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.648 -20.742 10.242 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.673 -19.632 10.523 1.00 0.00 C ATOM 0 HA PRO A 122 -4.948 -21.725 12.915 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -6.831 -22.689 11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.226 -21.375 12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.402 -21.251 9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.661 -20.354 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.232 -19.243 9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.153 -18.793 11.027 1.00 0.00 H new ATOM 1830 N GLU A 123 -3.635 -23.531 12.035 1.00 0.00 N ATOM 1831 CA GLU A 123 -2.827 -24.643 11.548 1.00 0.00 C ATOM 1832 C GLU A 123 -3.593 -25.457 10.509 1.00 0.00 C ATOM 1833 O GLU A 123 -3.031 -25.880 9.500 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.407 -25.545 12.711 1.00 0.00 C ATOM 1835 CG GLU A 123 -1.140 -25.084 13.411 1.00 0.00 C ATOM 1836 CD GLU A 123 0.117 -25.620 12.755 1.00 0.00 C ATOM 1837 OE1 GLU A 123 0.034 -26.669 12.083 1.00 0.00 O ATOM 1838 OE2 GLU A 123 1.184 -24.992 12.915 1.00 0.00 O ATOM 0 H GLU A 123 -3.655 -23.436 13.050 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.934 -24.232 11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.218 -25.588 13.438 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.258 -26.558 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.107 -23.994 13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.167 -25.405 14.452 1.00 0.00 H new ATOM 1845 N ASN A 124 -4.879 -25.673 10.766 1.00 0.00 N ATOM 1846 CA ASN A 124 -5.723 -26.438 9.854 1.00 0.00 C ATOM 1847 C ASN A 124 -6.018 -25.639 8.588 1.00 0.00 C ATOM 1848 O ASN A 124 -6.035 -26.188 7.487 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.032 -26.826 10.543 1.00 0.00 C ATOM 1850 CG ASN A 124 -7.753 -25.629 11.132 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -8.032 -24.654 10.435 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -8.059 -25.699 12.423 1.00 0.00 N ATOM 0 H ASN A 124 -5.360 -25.330 11.598 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.186 -27.344 9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -7.684 -27.322 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -6.823 -27.546 11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.545 -24.924 12.875 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -7.808 -26.528 12.962 1.00 0.00 H new