USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=27 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 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.1) USER MOD Single : A 34 ASN :FLIP amide:sc= -3.38! C(o=-4!,f=-3.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 99:sc= 0.354 USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 0.471 (180deg=0.387) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -74:sc= 0.569 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.531 F(o=-1.5!,f=-0.53) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 70:sc= -0.808 USER MOD Single : A 65 LYS NZ :NH3+ -166:sc=-0.00754 (180deg=-0.109) USER MOD Single : A 68 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.28) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.022) 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 -145:sc= 0.138 USER MOD Single : A 97 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.05) USER MOD Single : A 98 TYR OH : rot 120:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -3.77! C(o=-3.8!,f=-5.6!) USER MOD Single : A 103 SER OG : rot 135:sc= 0.0789 USER MOD Single : A 105 MET CE :methyl 145:sc= -1.36 (180deg=-2.59) USER MOD Single : A 106 THR OG1 : rot 170:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.6) USER MOD Single : A 110 THR OG1 : rot 110:sc= -1.11 USER MOD Single : A 114 SER OG : rot 110:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.54) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -77:sc= 0.779 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 0.684 16.815 8.963 1.00 0.00 N ATOM 340 CA VAL A 27 0.387 15.416 9.246 1.00 0.00 C ATOM 341 C VAL A 27 -0.563 15.284 10.431 1.00 0.00 C ATOM 342 O VAL A 27 -0.593 16.125 11.330 1.00 0.00 O ATOM 343 CB VAL A 27 1.671 14.618 9.541 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.675 14.784 8.410 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.275 15.052 10.868 1.00 0.00 C ATOM 0 HA VAL A 27 -0.089 15.008 8.355 1.00 0.00 H new ATOM 0 HB VAL A 27 1.412 13.562 9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.576 14.213 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.239 14.420 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.931 15.838 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.181 14.478 11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.520 16.113 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.557 14.876 11.669 1.00 0.00 H new ATOM 355 N PRO A 28 -1.358 14.205 10.434 1.00 0.00 N ATOM 356 CA PRO A 28 -2.324 13.936 11.504 1.00 0.00 C ATOM 357 C PRO A 28 -1.646 13.562 12.817 1.00 0.00 C ATOM 358 O PRO A 28 -0.446 13.288 12.851 1.00 0.00 O ATOM 359 CB PRO A 28 -3.133 12.754 10.964 1.00 0.00 C ATOM 360 CG PRO A 28 -2.216 12.075 10.006 1.00 0.00 C ATOM 361 CD PRO A 28 -1.376 13.162 9.395 1.00 0.00 C ATOM 0 HA PRO A 28 -2.928 14.813 11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.436 12.082 11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.044 13.091 10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.593 11.341 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.778 11.540 9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.371 12.810 9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.809 13.529 8.465 1.00 0.00 H new ATOM 369 N SER A 29 -2.421 13.552 13.897 1.00 0.00 N ATOM 370 CA SER A 29 -1.894 13.215 15.214 1.00 0.00 C ATOM 371 C SER A 29 -2.637 12.022 15.807 1.00 0.00 C ATOM 372 O SER A 29 -2.114 11.318 16.670 1.00 0.00 O ATOM 373 CB SER A 29 -2.003 14.417 16.154 1.00 0.00 C ATOM 374 OG SER A 29 -1.175 15.482 15.718 1.00 0.00 O ATOM 0 H SER A 29 -3.417 13.774 13.886 1.00 0.00 H new ATOM 0 HA SER A 29 -0.844 12.947 15.100 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.039 14.753 16.201 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.718 14.120 17.163 1.00 0.00 H new ATOM 0 HG SER A 29 -1.264 16.239 16.334 1.00 0.00 H new ATOM 380 N ALA A 30 -3.861 11.802 15.338 1.00 0.00 N ATOM 381 CA ALA A 30 -4.676 10.694 15.819 1.00 0.00 C ATOM 382 C ALA A 30 -4.703 9.552 14.809 1.00 0.00 C ATOM 383 O ALA A 30 -4.770 9.764 13.598 1.00 0.00 O ATOM 384 CB ALA A 30 -6.090 11.170 16.118 1.00 0.00 C ATOM 0 H ALA A 30 -4.310 12.377 14.625 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.228 10.319 16.739 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.688 10.332 16.476 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.059 11.946 16.882 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.538 11.573 15.210 1.00 0.00 H new ATOM 390 N PRO A 31 -4.648 8.312 15.316 1.00 0.00 N ATOM 391 CA PRO A 31 -4.664 7.111 14.474 1.00 0.00 C ATOM 392 C PRO A 31 -6.019 6.886 13.811 1.00 0.00 C ATOM 393 O PRO A 31 -7.011 7.540 14.134 1.00 0.00 O ATOM 394 CB PRO A 31 -4.357 5.982 15.461 1.00 0.00 C ATOM 395 CG PRO A 31 -4.808 6.501 16.783 1.00 0.00 C ATOM 396 CD PRO A 31 -4.566 7.985 16.749 1.00 0.00 C ATOM 0 HA PRO A 31 -3.953 7.181 13.651 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.886 5.067 15.193 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.293 5.743 15.471 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.863 6.281 16.950 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.253 6.033 17.596 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.313 8.527 17.328 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.592 8.243 17.165 1.00 0.00 H new ATOM 404 N PRO A 32 -6.065 5.939 12.863 1.00 0.00 N ATOM 405 CA PRO A 32 -7.293 5.606 12.135 1.00 0.00 C ATOM 406 C PRO A 32 -8.319 4.906 13.021 1.00 0.00 C ATOM 407 O PRO A 32 -8.067 4.658 14.200 1.00 0.00 O ATOM 408 CB PRO A 32 -6.807 4.663 11.032 1.00 0.00 C ATOM 409 CG PRO A 32 -5.557 4.059 11.573 1.00 0.00 C ATOM 410 CD PRO A 32 -4.921 5.121 12.427 1.00 0.00 C ATOM 0 HA PRO A 32 -7.800 6.496 11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.551 3.899 10.808 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.616 5.203 10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.777 3.166 12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.890 3.755 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.389 4.690 13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.198 5.710 11.863 1.00 0.00 H new ATOM 418 N GLN A 33 -9.474 4.591 12.444 1.00 0.00 N ATOM 419 CA GLN A 33 -10.538 3.920 13.183 1.00 0.00 C ATOM 420 C GLN A 33 -10.853 2.561 12.567 1.00 0.00 C ATOM 421 O GLN A 33 -10.408 2.250 11.463 1.00 0.00 O ATOM 422 CB GLN A 33 -11.797 4.788 13.206 1.00 0.00 C ATOM 423 CG GLN A 33 -11.810 5.811 14.330 1.00 0.00 C ATOM 424 CD GLN A 33 -13.129 6.553 14.427 1.00 0.00 C ATOM 425 OE1 GLN A 33 -14.158 6.080 13.945 1.00 0.00 O ATOM 426 NE2 GLN A 33 -13.104 7.724 15.055 1.00 0.00 N ATOM 0 H GLN A 33 -9.697 4.789 11.469 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.195 3.764 14.206 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.888 5.307 12.252 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.671 4.144 13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.609 5.308 15.276 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.004 6.528 14.173 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.228 8.078 15.439 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.961 8.269 15.153 1.00 0.00 H new ATOM 435 N ASN A 34 -11.624 1.754 13.290 1.00 0.00 N ATOM 436 CA ASN A 34 -11.999 0.427 12.815 1.00 0.00 C ATOM 437 C ASN A 34 -10.776 -0.337 12.316 1.00 0.00 C ATOM 438 O ASN A 34 -10.756 -0.827 11.186 1.00 0.00 O ATOM 439 CB ASN A 34 -13.037 0.537 11.697 1.00 0.00 C ATOM 440 CG ASN A 34 -14.451 0.661 12.232 1.00 0.00 C ATOM 441 OD1 ASN A 34 -14.848 1.880 12.577 1.00 0.00 O flip ATOM 442 ND2 ASN A 34 -15.177 -0.328 12.333 1.00 0.00 N flip ATOM 0 H ASN A 34 -12.001 1.996 14.206 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.433 -0.122 13.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.809 1.404 11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.970 -0.341 11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.830 -1.246 12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.126 -0.229 12.694 1.00 0.00 H new ATOM 449 N VAL A 35 -9.758 -0.434 13.165 1.00 0.00 N ATOM 450 CA VAL A 35 -8.532 -1.140 12.811 1.00 0.00 C ATOM 451 C VAL A 35 -8.534 -2.559 13.369 1.00 0.00 C ATOM 452 O VAL A 35 -8.049 -2.803 14.473 1.00 0.00 O ATOM 453 CB VAL A 35 -7.287 -0.397 13.331 1.00 0.00 C ATOM 454 CG1 VAL A 35 -6.021 -1.155 12.963 1.00 0.00 C ATOM 455 CG2 VAL A 35 -7.247 1.022 12.784 1.00 0.00 C ATOM 0 H VAL A 35 -9.758 -0.033 14.103 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.493 -1.181 11.722 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.345 -0.341 14.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.152 -0.615 13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.050 -2.150 13.408 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.952 -1.244 11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.361 1.533 13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.212 0.991 11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.139 1.560 13.103 1.00 0.00 H new ATOM 465 N SER A 36 -9.083 -3.492 12.597 1.00 0.00 N ATOM 466 CA SER A 36 -9.152 -4.887 13.016 1.00 0.00 C ATOM 467 C SER A 36 -8.596 -5.807 11.933 1.00 0.00 C ATOM 468 O SER A 36 -8.398 -5.391 10.790 1.00 0.00 O ATOM 469 CB SER A 36 -10.596 -5.274 13.338 1.00 0.00 C ATOM 470 OG SER A 36 -10.643 -6.430 14.157 1.00 0.00 O ATOM 0 H SER A 36 -9.486 -3.307 11.679 1.00 0.00 H new ATOM 0 HA SER A 36 -8.544 -5.002 13.914 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.094 -4.446 13.843 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.142 -5.458 12.413 1.00 0.00 H new ATOM 0 HG SER A 36 -11.577 -6.656 14.350 1.00 0.00 H new ATOM 476 N LEU A 37 -8.346 -7.059 12.300 1.00 0.00 N ATOM 477 CA LEU A 37 -7.813 -8.039 11.361 1.00 0.00 C ATOM 478 C LEU A 37 -8.595 -9.347 11.436 1.00 0.00 C ATOM 479 O LEU A 37 -8.716 -9.947 12.503 1.00 0.00 O ATOM 480 CB LEU A 37 -6.333 -8.299 11.650 1.00 0.00 C ATOM 481 CG LEU A 37 -5.398 -7.099 11.495 1.00 0.00 C ATOM 482 CD1 LEU A 37 -4.090 -7.343 12.232 1.00 0.00 C ATOM 483 CD2 LEU A 37 -5.138 -6.812 10.024 1.00 0.00 C ATOM 0 H LEU A 37 -8.504 -7.419 13.241 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.915 -7.634 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.243 -8.675 12.669 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.988 -9.092 10.986 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.882 -6.227 11.935 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.437 -6.479 12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.293 -7.498 13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.601 -8.227 11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.471 -5.955 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.676 -7.683 9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.081 -6.592 9.524 1.00 0.00 H new ATOM 495 N GLU A 38 -9.121 -9.782 10.296 1.00 0.00 N ATOM 496 CA GLU A 38 -9.890 -11.020 10.234 1.00 0.00 C ATOM 497 C GLU A 38 -9.166 -12.069 9.396 1.00 0.00 C ATOM 498 O GLU A 38 -8.749 -11.800 8.269 1.00 0.00 O ATOM 499 CB GLU A 38 -11.279 -10.754 9.649 1.00 0.00 C ATOM 500 CG GLU A 38 -12.230 -11.932 9.781 1.00 0.00 C ATOM 501 CD GLU A 38 -12.042 -12.960 8.683 1.00 0.00 C ATOM 502 OE1 GLU A 38 -12.041 -12.569 7.497 1.00 0.00 O ATOM 503 OE2 GLU A 38 -11.894 -14.156 9.010 1.00 0.00 O ATOM 0 H GLU A 38 -9.029 -9.297 9.404 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.998 -11.402 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.715 -9.888 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.177 -10.496 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.079 -12.409 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.257 -11.569 9.761 1.00 0.00 H new ATOM 510 N VAL A 39 -9.019 -13.266 9.955 1.00 0.00 N ATOM 511 CA VAL A 39 -8.346 -14.357 9.260 1.00 0.00 C ATOM 512 C VAL A 39 -9.319 -15.130 8.377 1.00 0.00 C ATOM 513 O VAL A 39 -10.064 -15.984 8.856 1.00 0.00 O ATOM 514 CB VAL A 39 -7.685 -15.332 10.253 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.084 -16.519 9.516 1.00 0.00 C ATOM 516 CG2 VAL A 39 -6.627 -14.615 11.079 1.00 0.00 C ATOM 0 H VAL A 39 -9.357 -13.505 10.887 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.574 -13.906 8.636 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.451 -15.707 10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.622 -17.197 10.234 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.869 -17.046 8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.330 -16.166 8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.170 -15.319 11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.861 -14.210 10.417 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.091 -13.802 11.637 1.00 0.00 H new ATOM 526 N VAL A 40 -9.306 -14.824 7.084 1.00 0.00 N ATOM 527 CA VAL A 40 -10.187 -15.491 6.132 1.00 0.00 C ATOM 528 C VAL A 40 -9.878 -16.982 6.049 1.00 0.00 C ATOM 529 O VAL A 40 -10.777 -17.817 6.125 1.00 0.00 O ATOM 530 CB VAL A 40 -10.064 -14.874 4.726 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.095 -15.479 3.785 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.216 -13.362 4.794 1.00 0.00 C ATOM 0 H VAL A 40 -8.695 -14.119 6.671 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.206 -15.353 6.494 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.072 -15.100 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.993 -15.031 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.936 -16.555 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.096 -15.285 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.126 -12.942 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.194 -13.113 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.437 -12.946 5.433 1.00 0.00 H new ATOM 542 N ASN A 41 -8.599 -17.308 5.893 1.00 0.00 N ATOM 543 CA ASN A 41 -8.170 -18.698 5.800 1.00 0.00 C ATOM 544 C ASN A 41 -6.833 -18.904 6.505 1.00 0.00 C ATOM 545 O ASN A 41 -6.291 -17.981 7.111 1.00 0.00 O ATOM 546 CB ASN A 41 -8.057 -19.122 4.334 1.00 0.00 C ATOM 547 CG ASN A 41 -9.411 -19.255 3.664 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.428 -19.452 4.328 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.429 -19.147 2.340 1.00 0.00 N ATOM 0 H ASN A 41 -7.842 -16.628 5.828 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.919 -19.317 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.457 -18.391 3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.530 -20.074 4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.311 -19.227 1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.561 -18.984 1.830 1.00 0.00 H new ATOM 556 N SER A 42 -6.307 -20.122 6.421 1.00 0.00 N ATOM 557 CA SER A 42 -5.035 -20.451 7.053 1.00 0.00 C ATOM 558 C SER A 42 -3.870 -19.844 6.277 1.00 0.00 C ATOM 559 O SER A 42 -2.749 -19.767 6.780 1.00 0.00 O ATOM 560 CB SER A 42 -4.865 -21.968 7.148 1.00 0.00 C ATOM 561 OG SER A 42 -3.647 -22.306 7.788 1.00 0.00 O ATOM 0 H SER A 42 -6.742 -20.897 5.921 1.00 0.00 H new ATOM 0 HA SER A 42 -5.038 -20.030 8.058 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.701 -22.397 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.887 -22.403 6.149 1.00 0.00 H new ATOM 0 HG SER A 42 -3.820 -22.522 8.728 1.00 0.00 H new ATOM 567 N ARG A 43 -4.144 -19.416 5.050 1.00 0.00 N ATOM 568 CA ARG A 43 -3.119 -18.817 4.203 1.00 0.00 C ATOM 569 C ARG A 43 -3.572 -17.456 3.681 1.00 0.00 C ATOM 570 O ARG A 43 -2.817 -16.758 3.004 1.00 0.00 O ATOM 571 CB ARG A 43 -2.793 -19.743 3.029 1.00 0.00 C ATOM 572 CG ARG A 43 -2.700 -21.209 3.418 1.00 0.00 C ATOM 573 CD ARG A 43 -2.402 -22.087 2.212 1.00 0.00 C ATOM 574 NE ARG A 43 -3.617 -22.458 1.492 1.00 0.00 N ATOM 575 CZ ARG A 43 -3.633 -23.295 0.460 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.505 -23.844 0.030 1.00 0.00 N ATOM 577 NH2 ARG A 43 -4.778 -23.583 -0.144 1.00 0.00 N ATOM 0 H ARG A 43 -5.067 -19.473 4.619 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.222 -18.675 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.559 -19.627 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.847 -19.433 2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.918 -21.339 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.637 -21.525 3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.728 -21.560 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.885 -22.989 2.539 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.502 -22.053 1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.622 -23.624 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.520 -24.486 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.647 -23.162 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.789 -24.226 -0.936 1.00 0.00 H new ATOM 591 N SER A 44 -4.808 -17.087 4.001 1.00 0.00 N ATOM 592 CA SER A 44 -5.363 -15.812 3.560 1.00 0.00 C ATOM 593 C SER A 44 -5.817 -14.977 4.753 1.00 0.00 C ATOM 594 O SER A 44 -6.232 -15.515 5.780 1.00 0.00 O ATOM 595 CB SER A 44 -6.538 -16.045 2.609 1.00 0.00 C ATOM 596 OG SER A 44 -6.268 -17.112 1.716 1.00 0.00 O ATOM 0 H SER A 44 -5.444 -17.652 4.564 1.00 0.00 H new ATOM 0 HA SER A 44 -4.581 -15.266 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.437 -16.267 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.738 -15.135 2.043 1.00 0.00 H new ATOM 0 HG SER A 44 -7.035 -17.242 1.120 1.00 0.00 H new ATOM 602 N ILE A 45 -5.735 -13.658 4.610 1.00 0.00 N ATOM 603 CA ILE A 45 -6.138 -12.748 5.674 1.00 0.00 C ATOM 604 C ILE A 45 -6.719 -11.458 5.104 1.00 0.00 C ATOM 605 O ILE A 45 -6.143 -10.851 4.201 1.00 0.00 O ATOM 606 CB ILE A 45 -4.955 -12.401 6.597 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.347 -13.676 7.185 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.405 -11.462 7.706 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.213 -13.415 8.151 1.00 0.00 C ATOM 0 H ILE A 45 -5.393 -13.196 3.767 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.903 -13.262 6.256 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.191 -11.895 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.128 -14.238 7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.983 -14.304 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.557 -11.226 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.795 -10.543 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.186 -11.943 8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.831 -14.364 8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.414 -12.880 7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.576 -12.813 8.984 1.00 0.00 H new ATOM 621 N LYS A 46 -7.862 -11.044 5.638 1.00 0.00 N ATOM 622 CA LYS A 46 -8.521 -9.824 5.186 1.00 0.00 C ATOM 623 C LYS A 46 -8.137 -8.639 6.066 1.00 0.00 C ATOM 624 O LYS A 46 -8.302 -8.680 7.286 1.00 0.00 O ATOM 625 CB LYS A 46 -10.040 -10.008 5.194 1.00 0.00 C ATOM 626 CG LYS A 46 -10.808 -8.735 4.880 1.00 0.00 C ATOM 627 CD LYS A 46 -11.013 -8.563 3.384 1.00 0.00 C ATOM 628 CE LYS A 46 -12.160 -7.609 3.085 1.00 0.00 C ATOM 629 NZ LYS A 46 -12.401 -7.473 1.622 1.00 0.00 N ATOM 0 H LYS A 46 -8.352 -11.536 6.385 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.191 -9.619 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.309 -10.774 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.348 -10.376 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.776 -8.760 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.267 -7.875 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.096 -8.185 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.217 -9.533 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.067 -7.968 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.938 -6.630 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.321 -7.015 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.648 -6.894 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.403 -8.415 1.181 1.00 0.00 H new ATOM 643 N VAL A 47 -7.625 -7.584 5.441 1.00 0.00 N ATOM 644 CA VAL A 47 -7.220 -6.387 6.168 1.00 0.00 C ATOM 645 C VAL A 47 -8.106 -5.200 5.809 1.00 0.00 C ATOM 646 O VAL A 47 -8.301 -4.891 4.633 1.00 0.00 O ATOM 647 CB VAL A 47 -5.752 -6.024 5.877 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.371 -4.732 6.583 1.00 0.00 C ATOM 649 CG2 VAL A 47 -4.830 -7.160 6.293 1.00 0.00 C ATOM 0 H VAL A 47 -7.481 -7.534 4.432 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.328 -6.609 7.230 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.640 -5.870 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.330 -4.492 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.011 -3.923 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.498 -4.854 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.797 -6.886 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.943 -7.348 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.089 -8.061 5.737 1.00 0.00 H new ATOM 659 N SER A 48 -8.641 -4.537 6.829 1.00 0.00 N ATOM 660 CA SER A 48 -9.510 -3.385 6.621 1.00 0.00 C ATOM 661 C SER A 48 -9.166 -2.262 7.595 1.00 0.00 C ATOM 662 O SER A 48 -8.473 -2.479 8.589 1.00 0.00 O ATOM 663 CB SER A 48 -10.976 -3.789 6.789 1.00 0.00 C ATOM 664 OG SER A 48 -11.398 -4.630 5.730 1.00 0.00 O ATOM 0 H SER A 48 -8.488 -4.778 7.808 1.00 0.00 H new ATOM 0 HA SER A 48 -9.354 -3.022 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.108 -4.304 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.601 -2.897 6.820 1.00 0.00 H new ATOM 0 HG SER A 48 -12.338 -4.875 5.862 1.00 0.00 H new ATOM 670 N TRP A 49 -9.654 -1.063 7.301 1.00 0.00 N ATOM 671 CA TRP A 49 -9.398 0.096 8.150 1.00 0.00 C ATOM 672 C TRP A 49 -10.379 1.222 7.843 1.00 0.00 C ATOM 673 O TRP A 49 -11.259 1.079 6.994 1.00 0.00 O ATOM 674 CB TRP A 49 -7.962 0.587 7.958 1.00 0.00 C ATOM 675 CG TRP A 49 -7.651 0.975 6.545 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.867 2.191 5.962 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.068 0.143 5.536 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.454 2.165 4.652 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.959 0.920 4.366 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.625 -1.183 5.508 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.428 0.414 3.183 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.098 -1.684 4.332 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.003 -0.887 3.184 1.00 0.00 C ATOM 0 H TRP A 49 -10.229 -0.867 6.482 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.535 -0.207 9.188 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.789 1.444 8.609 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.273 -0.197 8.272 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.299 3.047 6.458 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.507 2.946 3.998 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.693 -1.804 6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.354 1.026 2.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.754 -2.707 4.298 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.586 -1.308 2.281 1.00 0.00 H new ATOM 694 N LEU A 50 -10.222 2.343 8.539 1.00 0.00 N ATOM 695 CA LEU A 50 -11.094 3.495 8.341 1.00 0.00 C ATOM 696 C LEU A 50 -10.380 4.790 8.717 1.00 0.00 C ATOM 697 O LEU A 50 -9.435 4.800 9.506 1.00 0.00 O ATOM 698 CB LEU A 50 -12.370 3.343 9.171 1.00 0.00 C ATOM 699 CG LEU A 50 -13.397 2.341 8.645 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.646 2.351 9.513 1.00 0.00 C ATOM 701 CD2 LEU A 50 -13.750 2.649 7.197 1.00 0.00 C ATOM 0 H LEU A 50 -9.499 2.478 9.245 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.359 3.541 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.089 3.048 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.849 4.319 9.246 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.958 1.344 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.366 1.631 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.381 2.081 10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.088 3.347 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.482 1.925 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.169 3.653 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.851 2.590 6.583 1.00 0.00 H new ATOM 713 N PRO A 51 -10.842 5.910 8.141 1.00 0.00 N ATOM 714 CA PRO A 51 -10.264 7.231 8.403 1.00 0.00 C ATOM 715 C PRO A 51 -10.555 7.721 9.817 1.00 0.00 C ATOM 716 O PRO A 51 -11.460 7.234 10.495 1.00 0.00 O ATOM 717 CB PRO A 51 -10.953 8.130 7.373 1.00 0.00 C ATOM 718 CG PRO A 51 -12.242 7.445 7.075 1.00 0.00 C ATOM 719 CD PRO A 51 -11.965 5.972 7.190 1.00 0.00 C ATOM 0 HA PRO A 51 -9.177 7.223 8.323 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.119 9.131 7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.346 8.240 6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.018 7.752 7.776 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.597 7.698 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.834 5.427 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.700 5.536 6.227 1.00 0.00 H new ATOM 727 N PRO A 52 -9.772 8.709 10.275 1.00 0.00 N ATOM 728 CA PRO A 52 -9.928 9.288 11.613 1.00 0.00 C ATOM 729 C PRO A 52 -11.206 10.108 11.744 1.00 0.00 C ATOM 730 O PRO A 52 -11.894 10.392 10.763 1.00 0.00 O ATOM 731 CB PRO A 52 -8.698 10.188 11.755 1.00 0.00 C ATOM 732 CG PRO A 52 -8.319 10.536 10.357 1.00 0.00 C ATOM 733 CD PRO A 52 -8.674 9.338 9.521 1.00 0.00 C ATOM 0 HA PRO A 52 -10.003 8.521 12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.926 11.081 12.337 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.887 9.672 12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.855 11.422 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.255 10.760 10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.989 9.627 8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.826 8.662 9.407 1.00 0.00 H new ATOM 741 N PRO A 53 -11.534 10.499 12.985 1.00 0.00 N ATOM 742 CA PRO A 53 -12.732 11.293 13.273 1.00 0.00 C ATOM 743 C PRO A 53 -12.622 12.720 12.747 1.00 0.00 C ATOM 744 O PRO A 53 -11.556 13.332 12.804 1.00 0.00 O ATOM 745 CB PRO A 53 -12.799 11.291 14.803 1.00 0.00 C ATOM 746 CG PRO A 53 -11.392 11.077 15.243 1.00 0.00 C ATOM 747 CD PRO A 53 -10.761 10.196 14.201 1.00 0.00 C ATOM 0 HA PRO A 53 -13.619 10.881 12.793 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.194 12.233 15.183 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.453 10.500 15.170 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.861 12.025 15.326 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.358 10.606 16.225 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.703 10.422 14.071 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.831 9.142 14.470 1.00 0.00 H new ATOM 755 N SER A 54 -13.731 13.244 12.235 1.00 0.00 N ATOM 756 CA SER A 54 -13.758 14.599 11.696 1.00 0.00 C ATOM 757 C SER A 54 -13.179 15.594 12.697 1.00 0.00 C ATOM 758 O SER A 54 -13.563 15.610 13.865 1.00 0.00 O ATOM 759 CB SER A 54 -15.190 14.997 11.332 1.00 0.00 C ATOM 760 OG SER A 54 -15.626 14.323 10.165 1.00 0.00 O ATOM 0 H SER A 54 -14.622 12.751 12.182 1.00 0.00 H new ATOM 0 HA SER A 54 -13.144 14.618 10.796 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.858 14.763 12.161 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.242 16.074 11.174 1.00 0.00 H new ATOM 0 HG SER A 54 -16.544 14.593 9.955 1.00 0.00 H new ATOM 766 N GLY A 55 -12.252 16.424 12.228 1.00 0.00 N ATOM 767 CA GLY A 55 -11.634 17.411 13.094 1.00 0.00 C ATOM 768 C GLY A 55 -10.151 17.166 13.287 1.00 0.00 C ATOM 769 O GLY A 55 -9.357 18.108 13.320 1.00 0.00 O ATOM 0 H GLY A 55 -11.918 16.430 11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.783 18.405 12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.130 17.400 14.064 1.00 0.00 H new ATOM 773 N THR A 56 -9.773 15.898 13.416 1.00 0.00 N ATOM 774 CA THR A 56 -8.376 15.532 13.609 1.00 0.00 C ATOM 775 C THR A 56 -7.598 15.622 12.301 1.00 0.00 C ATOM 776 O THR A 56 -6.468 16.108 12.274 1.00 0.00 O ATOM 777 CB THR A 56 -8.242 14.106 14.176 1.00 0.00 C ATOM 778 OG1 THR A 56 -8.914 13.174 13.322 1.00 0.00 O ATOM 779 CG2 THR A 56 -8.821 14.025 15.580 1.00 0.00 C ATOM 0 H THR A 56 -10.416 15.107 13.390 1.00 0.00 H new ATOM 0 HA THR A 56 -7.960 16.240 14.325 1.00 0.00 H new ATOM 0 HB THR A 56 -7.182 13.856 14.223 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.883 13.262 13.440 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.715 13.009 15.959 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.287 14.714 16.234 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.877 14.294 15.554 1.00 0.00 H new ATOM 787 N GLN A 57 -8.211 15.152 11.220 1.00 0.00 N ATOM 788 CA GLN A 57 -7.575 15.180 9.908 1.00 0.00 C ATOM 789 C GLN A 57 -7.610 16.585 9.316 1.00 0.00 C ATOM 790 O GLN A 57 -8.543 17.349 9.560 1.00 0.00 O ATOM 791 CB GLN A 57 -8.266 14.197 8.961 1.00 0.00 C ATOM 792 CG GLN A 57 -9.778 14.171 9.110 1.00 0.00 C ATOM 793 CD GLN A 57 -10.481 13.729 7.841 1.00 0.00 C ATOM 794 OE1 GLN A 57 -10.504 14.453 6.846 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.060 12.534 7.871 1.00 0.00 N ATOM 0 H GLN A 57 -9.147 14.747 11.226 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.533 14.883 10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.015 14.458 7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.874 13.196 9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.048 13.498 9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.129 15.165 9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.016 11.967 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.549 12.183 7.047 1.00 0.00 H new ATOM 804 N ASN A 58 -6.587 16.920 8.536 1.00 0.00 N ATOM 805 CA ASN A 58 -6.501 18.234 7.910 1.00 0.00 C ATOM 806 C ASN A 58 -6.290 18.106 6.404 1.00 0.00 C ATOM 807 O ASN A 58 -6.744 18.947 5.629 1.00 0.00 O ATOM 808 CB ASN A 58 -5.360 19.043 8.529 1.00 0.00 C ATOM 809 CG ASN A 58 -4.876 20.153 7.616 1.00 0.00 C ATOM 810 OD1 ASN A 58 -4.086 19.791 6.612 1.00 0.00 O flip ATOM 811 ND2 ASN A 58 -5.210 21.322 7.811 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.806 16.299 8.323 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.443 18.755 8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.694 19.473 9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.529 18.377 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.819 21.554 8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.878 22.058 7.188 1.00 0.00 H new ATOM 818 N GLY A 59 -5.597 17.046 5.997 1.00 0.00 N ATOM 819 CA GLY A 59 -5.338 16.827 4.586 1.00 0.00 C ATOM 820 C GLY A 59 -6.067 15.613 4.045 1.00 0.00 C ATOM 821 O GLY A 59 -5.859 14.494 4.515 1.00 0.00 O ATOM 0 H GLY A 59 -5.211 16.336 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.641 17.710 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.266 16.702 4.431 1.00 0.00 H new ATOM 825 N PHE A 60 -6.925 15.833 3.055 1.00 0.00 N ATOM 826 CA PHE A 60 -7.690 14.749 2.450 1.00 0.00 C ATOM 827 C PHE A 60 -6.858 13.472 2.378 1.00 0.00 C ATOM 828 O PHE A 60 -5.821 13.431 1.716 1.00 0.00 O ATOM 829 CB PHE A 60 -8.159 15.146 1.049 1.00 0.00 C ATOM 830 CG PHE A 60 -7.067 15.718 0.191 1.00 0.00 C ATOM 831 CD1 PHE A 60 -6.784 17.074 0.219 1.00 0.00 C ATOM 832 CD2 PHE A 60 -6.323 14.900 -0.643 1.00 0.00 C ATOM 833 CE1 PHE A 60 -5.781 17.603 -0.570 1.00 0.00 C ATOM 834 CE2 PHE A 60 -5.317 15.423 -1.434 1.00 0.00 C ATOM 835 CZ PHE A 60 -5.045 16.776 -1.397 1.00 0.00 C ATOM 0 H PHE A 60 -7.108 16.753 2.654 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.562 14.559 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.579 14.271 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.962 15.878 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.354 17.725 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.531 13.841 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.572 18.662 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.745 14.774 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.259 17.187 -2.013 1.00 0.00 H new ATOM 845 N ILE A 61 -7.321 12.432 3.063 1.00 0.00 N ATOM 846 CA ILE A 61 -6.621 11.153 3.076 1.00 0.00 C ATOM 847 C ILE A 61 -6.483 10.587 1.666 1.00 0.00 C ATOM 848 O ILE A 61 -7.436 10.041 1.109 1.00 0.00 O ATOM 849 CB ILE A 61 -7.345 10.123 3.962 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.291 10.553 5.430 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.728 8.744 3.785 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.302 11.621 5.784 1.00 0.00 C ATOM 0 H ILE A 61 -8.178 12.450 3.616 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.630 11.341 3.488 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.390 10.073 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.459 9.681 6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.290 10.922 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.251 8.027 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.814 8.438 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.676 8.777 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.207 11.877 6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.121 12.509 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.308 11.248 5.591 1.00 0.00 H new ATOM 864 N THR A 62 -5.290 10.719 1.095 1.00 0.00 N ATOM 865 CA THR A 62 -5.027 10.221 -0.249 1.00 0.00 C ATOM 866 C THR A 62 -5.060 8.697 -0.287 1.00 0.00 C ATOM 867 O THR A 62 -5.654 8.101 -1.184 1.00 0.00 O ATOM 868 CB THR A 62 -3.662 10.707 -0.771 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.636 10.399 0.179 1.00 0.00 O ATOM 870 CG2 THR A 62 -3.685 12.206 -1.032 1.00 0.00 C ATOM 0 H THR A 62 -4.490 11.167 1.543 1.00 0.00 H new ATOM 0 HA THR A 62 -5.814 10.615 -0.892 1.00 0.00 H new ATOM 0 HB THR A 62 -3.453 10.194 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.771 10.710 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.710 12.526 -1.400 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.447 12.434 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.914 12.733 -0.106 1.00 0.00 H new ATOM 878 N GLY A 63 -4.416 8.072 0.695 1.00 0.00 N ATOM 879 CA GLY A 63 -4.385 6.622 0.755 1.00 0.00 C ATOM 880 C GLY A 63 -4.100 6.106 2.152 1.00 0.00 C ATOM 881 O GLY A 63 -4.284 6.823 3.136 1.00 0.00 O ATOM 0 H GLY A 63 -3.916 8.543 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.341 6.227 0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.623 6.249 0.071 1.00 0.00 H new ATOM 885 N TYR A 64 -3.651 4.859 2.240 1.00 0.00 N ATOM 886 CA TYR A 64 -3.345 4.246 3.526 1.00 0.00 C ATOM 887 C TYR A 64 -2.106 3.361 3.427 1.00 0.00 C ATOM 888 O TYR A 64 -1.934 2.619 2.460 1.00 0.00 O ATOM 889 CB TYR A 64 -4.536 3.422 4.019 1.00 0.00 C ATOM 890 CG TYR A 64 -5.694 4.263 4.505 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.488 4.971 3.611 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.997 4.348 5.858 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.547 5.741 4.050 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.055 5.115 6.307 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.827 5.809 5.399 1.00 0.00 C ATOM 896 OH TYR A 64 -8.882 6.574 5.841 1.00 0.00 O ATOM 0 H TYR A 64 -3.491 4.253 1.435 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.143 5.044 4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.880 2.777 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.206 2.770 4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.273 4.918 2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.395 3.805 6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.152 6.287 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.276 5.171 7.363 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.726 6.154 5.572 1.00 0.00 H new ATOM 906 N LYS A 65 -1.244 3.446 4.435 1.00 0.00 N ATOM 907 CA LYS A 65 -0.021 2.653 4.465 1.00 0.00 C ATOM 908 C LYS A 65 -0.221 1.375 5.274 1.00 0.00 C ATOM 909 O LYS A 65 -0.628 1.422 6.435 1.00 0.00 O ATOM 910 CB LYS A 65 1.127 3.471 5.059 1.00 0.00 C ATOM 911 CG LYS A 65 2.503 2.986 4.636 1.00 0.00 C ATOM 912 CD LYS A 65 3.596 3.931 5.106 1.00 0.00 C ATOM 913 CE LYS A 65 3.806 5.074 4.124 1.00 0.00 C ATOM 914 NZ LYS A 65 4.500 4.622 2.887 1.00 0.00 N ATOM 0 H LYS A 65 -1.370 4.057 5.242 1.00 0.00 H new ATOM 0 HA LYS A 65 0.229 2.378 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.011 4.513 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.059 3.441 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.681 1.991 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.540 2.896 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.334 4.334 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.528 3.379 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.842 5.509 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.391 5.860 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.835 5.450 2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.311 4.024 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.839 4.076 2.298 1.00 0.00 H new ATOM 928 N ILE A 66 0.069 0.236 4.654 1.00 0.00 N ATOM 929 CA ILE A 66 -0.076 -1.053 5.318 1.00 0.00 C ATOM 930 C ILE A 66 1.269 -1.758 5.451 1.00 0.00 C ATOM 931 O ILE A 66 1.825 -2.247 4.467 1.00 0.00 O ATOM 932 CB ILE A 66 -1.051 -1.971 4.558 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.348 -1.223 4.241 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.341 -3.224 5.370 1.00 0.00 C ATOM 935 CD1 ILE A 66 -3.040 -1.717 2.990 1.00 0.00 C ATOM 0 H ILE A 66 0.406 0.180 3.693 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.478 -0.852 6.311 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.587 -2.270 3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.030 -1.320 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.128 -0.161 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.032 -3.863 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.412 -3.764 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.788 -2.944 6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.951 -1.142 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.376 -1.595 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.292 -2.771 3.106 1.00 0.00 H new ATOM 947 N ARG A 67 1.787 -1.808 6.674 1.00 0.00 N ATOM 948 CA ARG A 67 3.068 -2.454 6.935 1.00 0.00 C ATOM 949 C ARG A 67 2.874 -3.747 7.723 1.00 0.00 C ATOM 950 O ARG A 67 2.170 -3.771 8.733 1.00 0.00 O ATOM 951 CB ARG A 67 3.992 -1.509 7.705 1.00 0.00 C ATOM 952 CG ARG A 67 4.832 -0.614 6.809 1.00 0.00 C ATOM 953 CD ARG A 67 6.081 -0.124 7.524 1.00 0.00 C ATOM 954 NE ARG A 67 5.849 1.133 8.232 1.00 0.00 N ATOM 955 CZ ARG A 67 6.769 1.737 8.976 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.975 1.203 9.109 1.00 0.00 N ATOM 957 NH2 ARG A 67 6.482 2.879 9.589 1.00 0.00 N ATOM 0 H ARG A 67 1.340 -1.409 7.499 1.00 0.00 H new ATOM 0 HA ARG A 67 3.526 -2.698 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.390 -0.885 8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.654 -2.099 8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.117 -1.161 5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.237 0.241 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.415 -0.883 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.884 0.011 6.799 1.00 0.00 H new ATOM 0 HE ARG A 67 4.931 1.570 8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.199 0.326 8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.679 1.669 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.555 3.293 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.188 3.343 10.160 1.00 0.00 H new ATOM 971 N HIS A 68 3.502 -4.820 7.253 1.00 0.00 N ATOM 972 CA HIS A 68 3.399 -6.116 7.913 1.00 0.00 C ATOM 973 C HIS A 68 4.780 -6.730 8.125 1.00 0.00 C ATOM 974 O HIS A 68 5.718 -6.441 7.383 1.00 0.00 O ATOM 975 CB HIS A 68 2.528 -7.064 7.088 1.00 0.00 C ATOM 976 CG HIS A 68 3.245 -7.675 5.924 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.825 -6.928 4.921 1.00 0.00 N ATOM 978 CD2 HIS A 68 3.475 -8.971 5.607 1.00 0.00 C ATOM 979 CE1 HIS A 68 4.380 -7.738 4.036 1.00 0.00 C ATOM 980 NE2 HIS A 68 4.181 -8.983 4.429 1.00 0.00 N ATOM 0 H HIS A 68 4.087 -4.817 6.418 1.00 0.00 H new ATOM 0 HA HIS A 68 2.935 -5.964 8.888 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.158 -7.860 7.735 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.657 -6.519 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.162 -9.835 6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.907 -7.434 3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.500 -9.818 3.937 1.00 0.00 H new ATOM 989 N ARG A 69 4.896 -7.577 9.142 1.00 0.00 N ATOM 990 CA ARG A 69 6.162 -8.229 9.452 1.00 0.00 C ATOM 991 C ARG A 69 5.928 -9.609 10.061 1.00 0.00 C ATOM 992 O ARG A 69 4.931 -9.836 10.747 1.00 0.00 O ATOM 993 CB ARG A 69 6.982 -7.368 10.415 1.00 0.00 C ATOM 994 CG ARG A 69 6.448 -7.367 11.838 1.00 0.00 C ATOM 995 CD ARG A 69 7.008 -6.206 12.643 1.00 0.00 C ATOM 996 NE ARG A 69 8.339 -6.497 13.170 1.00 0.00 N ATOM 997 CZ ARG A 69 8.930 -5.773 14.114 1.00 0.00 C ATOM 998 NH1 ARG A 69 8.312 -4.720 14.631 1.00 0.00 N ATOM 999 NH2 ARG A 69 10.143 -6.101 14.542 1.00 0.00 N ATOM 0 H ARG A 69 4.129 -7.828 9.765 1.00 0.00 H new ATOM 0 HA ARG A 69 6.717 -8.350 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.011 -7.727 10.423 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.004 -6.343 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.360 -7.307 11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.707 -8.307 12.325 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.054 -5.317 12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.333 -5.978 13.468 1.00 0.00 H new ATOM 0 HE ARG A 69 8.842 -7.300 12.792 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.380 -4.464 14.304 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.768 -4.166 15.356 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.622 -6.910 14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.596 -5.544 15.267 1.00 0.00 H new ATOM 1013 N LYS A 70 6.853 -10.527 9.805 1.00 0.00 N ATOM 1014 CA LYS A 70 6.750 -11.884 10.328 1.00 0.00 C ATOM 1015 C LYS A 70 7.280 -11.959 11.756 1.00 0.00 C ATOM 1016 O LYS A 70 7.919 -11.026 12.243 1.00 0.00 O ATOM 1017 CB LYS A 70 7.523 -12.857 9.434 1.00 0.00 C ATOM 1018 CG LYS A 70 7.109 -14.308 9.613 1.00 0.00 C ATOM 1019 CD LYS A 70 7.320 -15.109 8.340 1.00 0.00 C ATOM 1020 CE LYS A 70 7.590 -16.575 8.642 1.00 0.00 C ATOM 1021 NZ LYS A 70 8.281 -17.256 7.512 1.00 0.00 N ATOM 0 H LYS A 70 7.683 -10.356 9.238 1.00 0.00 H new ATOM 0 HA LYS A 70 5.697 -12.165 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.378 -12.573 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.588 -12.763 9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.684 -14.754 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.059 -14.355 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.438 -15.024 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.157 -14.691 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.200 -16.654 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.648 -17.082 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.447 -18.253 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.688 -17.203 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.192 -16.788 7.329 1.00 0.00 H new ATOM 1133 N MET A 77 8.290 -4.985 5.044 1.00 0.00 N ATOM 1134 CA MET A 77 7.862 -4.495 3.739 1.00 0.00 C ATOM 1135 C MET A 77 6.912 -3.311 3.887 1.00 0.00 C ATOM 1136 O MET A 77 6.558 -2.924 5.000 1.00 0.00 O ATOM 1137 CB MET A 77 7.180 -5.614 2.949 1.00 0.00 C ATOM 1138 CG MET A 77 8.138 -6.696 2.477 1.00 0.00 C ATOM 1139 SD MET A 77 9.398 -6.066 1.352 1.00 0.00 S ATOM 1140 CE MET A 77 8.878 -6.813 -0.191 1.00 0.00 C ATOM 0 HA MET A 77 8.747 -4.163 3.196 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.409 -6.069 3.571 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.678 -5.182 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.623 -7.149 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.573 -7.484 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.561 -6.517 -0.987 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.887 -7.898 -0.091 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.870 -6.479 -0.435 1.00 0.00 H new ATOM 1150 N GLU A 78 6.505 -2.739 2.758 1.00 0.00 N ATOM 1151 CA GLU A 78 5.598 -1.598 2.764 1.00 0.00 C ATOM 1152 C GLU A 78 4.651 -1.649 1.568 1.00 0.00 C ATOM 1153 O GLU A 78 5.076 -1.522 0.419 1.00 0.00 O ATOM 1154 CB GLU A 78 6.390 -0.289 2.747 1.00 0.00 C ATOM 1155 CG GLU A 78 7.330 -0.130 3.930 1.00 0.00 C ATOM 1156 CD GLU A 78 8.525 0.747 3.612 1.00 0.00 C ATOM 1157 OE1 GLU A 78 8.429 1.976 3.815 1.00 0.00 O ATOM 1158 OE2 GLU A 78 9.555 0.206 3.160 1.00 0.00 O ATOM 0 H GLU A 78 6.789 -3.047 1.828 1.00 0.00 H new ATOM 0 HA GLU A 78 5.004 -1.643 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.968 -0.236 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.692 0.548 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.782 0.299 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.679 -1.113 4.246 1.00 0.00 H new ATOM 1165 N THR A 79 3.365 -1.835 1.847 1.00 0.00 N ATOM 1166 CA THR A 79 2.358 -1.905 0.796 1.00 0.00 C ATOM 1167 C THR A 79 1.263 -0.867 1.014 1.00 0.00 C ATOM 1168 O THR A 79 0.792 -0.672 2.135 1.00 0.00 O ATOM 1169 CB THR A 79 1.716 -3.303 0.724 1.00 0.00 C ATOM 1170 OG1 THR A 79 2.633 -4.234 0.137 1.00 0.00 O ATOM 1171 CG2 THR A 79 0.431 -3.268 -0.090 1.00 0.00 C ATOM 0 H THR A 79 2.996 -1.940 2.792 1.00 0.00 H new ATOM 0 HA THR A 79 2.869 -1.699 -0.145 1.00 0.00 H new ATOM 0 HB THR A 79 1.476 -3.620 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.218 -5.121 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.004 -4.267 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.276 -2.581 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.651 -2.931 -1.103 1.00 0.00 H new ATOM 1179 N LEU A 80 0.861 -0.203 -0.064 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.181 0.816 0.009 1.00 0.00 C ATOM 1181 C LEU A 80 -1.139 0.701 -1.172 1.00 0.00 C ATOM 1182 O LEU A 80 -0.714 0.666 -2.327 1.00 0.00 O ATOM 1183 CB LEU A 80 0.445 2.211 0.039 1.00 0.00 C ATOM 1184 CG LEU A 80 1.220 2.627 -1.212 1.00 0.00 C ATOM 1185 CD1 LEU A 80 0.276 3.195 -2.260 1.00 0.00 C ATOM 1186 CD2 LEU A 80 2.299 3.640 -0.859 1.00 0.00 C ATOM 0 H LEU A 80 1.240 -0.352 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.746 0.658 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.348 2.939 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.118 2.267 0.894 1.00 0.00 H new ATOM 0 HG LEU A 80 1.702 1.742 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.845 3.486 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.460 2.439 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.235 4.068 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.840 3.924 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.838 4.524 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.993 3.198 -0.144 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.433 0.645 -0.875 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.451 0.536 -1.913 1.00 0.00 C ATOM 1200 C GLU A 81 -4.568 1.552 -1.690 1.00 0.00 C ATOM 1201 O GLU A 81 -5.450 1.368 -0.851 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.033 -0.879 -1.941 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.470 -0.937 -2.431 1.00 0.00 C ATOM 1204 CD GLU A 81 -5.800 -2.246 -3.122 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -5.601 -2.332 -4.352 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -6.255 -3.182 -2.434 1.00 0.00 O ATOM 0 H GLU A 81 -2.801 0.673 0.076 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.978 0.746 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.414 -1.505 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.983 -1.303 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.144 -0.797 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.648 -0.112 -3.121 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.529 2.652 -2.457 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.529 3.719 -2.362 1.00 0.00 C ATOM 1215 C PRO A 82 -6.893 3.284 -2.885 1.00 0.00 C ATOM 1216 O PRO A 82 -7.928 3.719 -2.383 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.948 4.829 -3.242 1.00 0.00 C ATOM 1218 CG PRO A 82 -4.069 4.120 -4.214 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.505 2.937 -3.476 1.00 0.00 C ATOM 0 HA PRO A 82 -5.704 4.022 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.736 5.383 -3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.383 5.549 -2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.634 3.801 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.273 4.774 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.350 2.086 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.541 3.168 -3.023 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.886 2.421 -3.896 1.00 0.00 N ATOM 1228 CA ASN A 83 -8.124 1.927 -4.487 1.00 0.00 C ATOM 1229 C ASN A 83 -9.171 1.656 -3.411 1.00 0.00 C ATOM 1230 O ASN A 83 -10.162 2.376 -3.300 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.858 0.650 -5.287 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.787 0.843 -6.345 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.776 0.142 -6.356 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -7.006 1.800 -7.240 1.00 0.00 N ATOM 0 H ASN A 83 -6.037 2.050 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.508 2.695 -5.158 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.554 -0.145 -4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.782 0.324 -5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.321 1.978 -7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.859 2.357 -7.192 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.942 0.613 -2.620 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.865 0.246 -1.552 1.00 0.00 C ATOM 1243 C ASN A 84 -9.180 0.323 -0.190 1.00 0.00 C ATOM 1244 O ASN A 84 -7.956 0.220 -0.092 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.410 -1.165 -1.782 1.00 0.00 C ATOM 1246 CG ASN A 84 -11.026 -1.329 -3.158 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -10.456 -1.983 -4.031 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -12.197 -0.734 -3.357 1.00 0.00 N ATOM 0 H ASN A 84 -8.125 0.007 -2.698 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.693 0.954 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.603 -1.888 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.158 -1.391 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.660 -0.809 -4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.633 -0.202 -2.604 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.977 0.504 0.857 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.448 0.594 2.214 1.00 0.00 C ATOM 1257 C LEU A 85 -9.238 -0.795 2.809 1.00 0.00 C ATOM 1258 O LEU A 85 -9.443 -1.005 4.005 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.397 1.403 3.100 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.978 2.673 2.477 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.302 3.032 3.133 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.991 3.825 2.596 1.00 0.00 C ATOM 0 H LEU A 85 -10.991 0.591 0.793 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.484 1.100 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.223 0.757 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.865 1.679 4.010 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.160 2.485 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.700 3.938 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.010 2.215 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.146 3.201 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.421 4.720 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.777 4.013 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.067 3.568 2.078 1.00 0.00 H new ATOM 1274 N TRP A 86 -8.825 -1.737 1.969 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.585 -3.105 2.413 1.00 0.00 C ATOM 1276 C TRP A 86 -7.635 -3.827 1.464 1.00 0.00 C ATOM 1277 O TRP A 86 -7.637 -3.575 0.259 1.00 0.00 O ATOM 1278 CB TRP A 86 -9.906 -3.870 2.512 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.645 -3.949 1.211 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.617 -3.098 0.768 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.475 -4.934 0.187 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -12.061 -3.494 -0.470 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.375 -4.618 -0.850 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.647 -6.051 0.042 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -11.470 -5.380 -2.011 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.743 -6.806 -1.111 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.648 -6.468 -2.126 1.00 0.00 C ATOM 0 H TRP A 86 -8.649 -1.579 0.977 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.122 -3.064 3.399 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.707 -4.880 2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -10.542 -3.388 3.254 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -11.983 -2.239 1.311 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.784 -3.027 -1.018 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -8.945 -6.319 0.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.168 -5.122 -2.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -9.109 -7.672 -1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.698 -7.078 -3.016 1.00 0.00 H new ATOM 1298 N TYR A 87 -6.825 -4.724 2.014 1.00 0.00 N ATOM 1299 CA TYR A 87 -5.868 -5.481 1.215 1.00 0.00 C ATOM 1300 C TYR A 87 -5.886 -6.957 1.598 1.00 0.00 C ATOM 1301 O TYR A 87 -5.447 -7.335 2.686 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.459 -4.913 1.396 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.505 -5.296 0.288 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.225 -6.629 0.015 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -2.882 -4.324 -0.486 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.354 -6.984 -0.996 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.010 -4.670 -1.501 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.749 -6.001 -1.752 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.880 -6.349 -2.760 1.00 0.00 O ATOM 0 H TYR A 87 -6.812 -4.945 3.010 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.157 -5.392 0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.519 -3.826 1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.056 -5.260 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.697 -7.401 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.083 -3.281 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.147 -8.025 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.536 -3.902 -2.094 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.542 -5.538 -3.195 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.396 -7.789 0.696 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.471 -9.226 0.937 1.00 0.00 C ATOM 1321 C LEU A 88 -5.145 -9.904 0.607 1.00 0.00 C ATOM 1322 O LEU A 88 -4.715 -9.920 -0.547 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.595 -9.844 0.104 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.119 -11.198 0.583 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -6.984 -12.205 0.682 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.823 -11.053 1.924 1.00 0.00 C ATOM 0 H LEU A 88 -6.763 -7.493 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.683 -9.382 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.429 -9.143 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.241 -9.956 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.841 -11.565 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.376 -13.163 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.523 -12.331 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.238 -11.844 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.190 -12.026 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.122 -10.663 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.662 -10.365 1.822 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.503 -10.465 1.626 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.226 -11.146 1.444 1.00 0.00 C ATOM 1340 C PHE A 89 -3.424 -12.656 1.355 1.00 0.00 C ATOM 1341 O PHE A 89 -4.288 -13.222 2.025 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.277 -10.811 2.596 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.675 -9.438 2.497 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -2.373 -8.328 2.945 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -0.412 -9.258 1.956 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -1.822 -7.064 2.855 1.00 0.00 C ATOM 1347 CE2 PHE A 89 0.144 -7.996 1.864 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.562 -6.897 2.315 1.00 0.00 C ATOM 0 H PHE A 89 -4.846 -10.462 2.587 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.787 -10.799 0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.819 -10.894 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.476 -11.549 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.358 -8.452 3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.144 -10.114 1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.377 -6.207 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.129 -7.869 1.440 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.129 -5.910 2.245 1.00 0.00 H new ATOM 1358 N THR A 90 -2.616 -13.305 0.521 1.00 0.00 N ATOM 1359 CA THR A 90 -2.702 -14.748 0.342 1.00 0.00 C ATOM 1360 C THR A 90 -1.316 -15.367 0.195 1.00 0.00 C ATOM 1361 O THR A 90 -0.351 -14.680 -0.136 1.00 0.00 O ATOM 1362 CB THR A 90 -3.548 -15.112 -0.892 1.00 0.00 C ATOM 1363 OG1 THR A 90 -2.965 -14.546 -2.071 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.976 -14.611 -0.736 1.00 0.00 C ATOM 0 H THR A 90 -1.895 -12.853 -0.041 1.00 0.00 H new ATOM 0 HA THR A 90 -3.184 -15.149 1.234 1.00 0.00 H new ATOM 0 HB THR A 90 -3.568 -16.198 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.508 -14.784 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.554 -14.880 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.427 -15.067 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.971 -13.527 -0.622 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.226 -16.671 0.441 1.00 0.00 N ATOM 1373 CA GLY A 91 0.046 -17.360 0.330 1.00 0.00 C ATOM 1374 C GLY A 91 0.911 -17.184 1.562 1.00 0.00 C ATOM 1375 O GLY A 91 2.084 -16.822 1.460 1.00 0.00 O ATOM 0 H GLY A 91 -2.011 -17.262 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.133 -18.422 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.582 -16.988 -0.543 1.00 0.00 H new ATOM 1379 N LEU A 92 0.332 -17.439 2.730 1.00 0.00 N ATOM 1380 CA LEU A 92 1.058 -17.305 3.989 1.00 0.00 C ATOM 1381 C LEU A 92 1.254 -18.665 4.652 1.00 0.00 C ATOM 1382 O LEU A 92 0.559 -19.628 4.330 1.00 0.00 O ATOM 1383 CB LEU A 92 0.307 -16.367 4.935 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.158 -15.040 4.335 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.221 -14.400 5.215 1.00 0.00 C ATOM 1386 CD2 LEU A 92 1.021 -14.096 4.148 1.00 0.00 C ATOM 0 H LEU A 92 -0.637 -17.740 2.832 1.00 0.00 H new ATOM 0 HA LEU A 92 2.039 -16.883 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.566 -16.894 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.951 -16.151 5.788 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.596 -15.239 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.540 -13.456 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.077 -15.070 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.809 -14.214 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.671 -13.157 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.489 -13.903 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.749 -14.552 3.477 1.00 0.00 H new ATOM 1398 N GLU A 93 2.203 -18.734 5.580 1.00 0.00 N ATOM 1399 CA GLU A 93 2.488 -19.976 6.289 1.00 0.00 C ATOM 1400 C GLU A 93 1.361 -20.320 7.258 1.00 0.00 C ATOM 1401 O GLU A 93 0.865 -19.459 7.984 1.00 0.00 O ATOM 1402 CB GLU A 93 3.812 -19.862 7.049 1.00 0.00 C ATOM 1403 CG GLU A 93 4.397 -21.205 7.455 1.00 0.00 C ATOM 1404 CD GLU A 93 5.865 -21.113 7.824 1.00 0.00 C ATOM 1405 OE1 GLU A 93 6.189 -20.406 8.801 1.00 0.00 O ATOM 1406 OE2 GLU A 93 6.690 -21.749 7.135 1.00 0.00 O ATOM 0 H GLU A 93 2.787 -17.945 5.858 1.00 0.00 H new ATOM 0 HA GLU A 93 2.567 -20.776 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.534 -19.333 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.658 -19.257 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.837 -21.600 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.276 -21.913 6.635 1.00 0.00 H new ATOM 1413 N LYS A 94 0.959 -21.587 7.262 1.00 0.00 N ATOM 1414 CA LYS A 94 -0.109 -22.049 8.141 1.00 0.00 C ATOM 1415 C LYS A 94 0.379 -22.151 9.582 1.00 0.00 C ATOM 1416 O LYS A 94 1.547 -22.443 9.833 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.633 -23.407 7.670 1.00 0.00 C ATOM 1418 CG LYS A 94 0.395 -24.522 7.766 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.269 -25.882 7.900 1.00 0.00 C ATOM 1420 CE LYS A 94 -0.612 -26.471 6.540 1.00 0.00 C ATOM 1421 NZ LYS A 94 -0.729 -27.954 6.591 1.00 0.00 N ATOM 0 H LYS A 94 1.357 -22.312 6.666 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.919 -21.321 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.506 -23.677 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.967 -23.320 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.029 -24.511 6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.044 -24.347 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.395 -26.561 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.177 -25.788 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.551 -26.045 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.157 -26.192 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.964 -28.316 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.174 -28.363 6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.480 -28.220 7.260 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.526 -21.911 10.527 1.00 0.00 N ATOM 1436 CA GLY A 95 -0.169 -21.983 11.932 1.00 0.00 C ATOM 1437 C GLY A 95 1.009 -21.094 12.276 1.00 0.00 C ATOM 1438 O GLY A 95 1.854 -21.460 13.094 1.00 0.00 O ATOM 0 H GLY A 95 -1.500 -21.668 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.028 -21.693 12.537 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.070 -23.014 12.191 1.00 0.00 H new ATOM 1442 N SER A 96 1.068 -19.923 11.651 1.00 0.00 N ATOM 1443 CA SER A 96 2.155 -18.981 11.892 1.00 0.00 C ATOM 1444 C SER A 96 1.611 -17.628 12.342 1.00 0.00 C ATOM 1445 O SER A 96 0.499 -17.244 11.982 1.00 0.00 O ATOM 1446 CB SER A 96 2.999 -18.809 10.628 1.00 0.00 C ATOM 1447 OG SER A 96 3.599 -20.034 10.245 1.00 0.00 O ATOM 0 H SER A 96 0.376 -19.603 10.974 1.00 0.00 H new ATOM 0 HA SER A 96 2.783 -19.384 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.373 -18.438 9.817 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.772 -18.061 10.802 1.00 0.00 H new ATOM 0 HG SER A 96 4.481 -19.859 9.856 1.00 0.00 H new ATOM 1453 N GLN A 97 2.405 -16.911 13.132 1.00 0.00 N ATOM 1454 CA GLN A 97 2.004 -15.602 13.632 1.00 0.00 C ATOM 1455 C GLN A 97 2.413 -14.499 12.661 1.00 0.00 C ATOM 1456 O GLN A 97 3.347 -14.665 11.876 1.00 0.00 O ATOM 1457 CB GLN A 97 2.625 -15.345 15.005 1.00 0.00 C ATOM 1458 CG GLN A 97 2.328 -13.960 15.558 1.00 0.00 C ATOM 1459 CD GLN A 97 2.664 -13.835 17.031 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.657 -13.210 17.403 1.00 0.00 O ATOM 1461 NE2 GLN A 97 1.834 -14.432 17.880 1.00 0.00 N ATOM 0 H GLN A 97 3.329 -17.215 13.439 1.00 0.00 H new ATOM 0 HA GLN A 97 0.918 -15.594 13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.257 -16.094 15.707 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.705 -15.476 14.936 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.896 -13.219 14.996 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.272 -13.732 15.409 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.022 -14.940 17.528 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.009 -14.382 18.884 1.00 0.00 H new ATOM 1470 N TYR A 98 1.708 -13.375 12.718 1.00 0.00 N ATOM 1471 CA TYR A 98 1.996 -12.246 11.842 1.00 0.00 C ATOM 1472 C TYR A 98 1.499 -10.940 12.454 1.00 0.00 C ATOM 1473 O TYR A 98 0.697 -10.945 13.388 1.00 0.00 O ATOM 1474 CB TYR A 98 1.349 -12.459 10.472 1.00 0.00 C ATOM 1475 CG TYR A 98 2.039 -13.510 9.633 1.00 0.00 C ATOM 1476 CD1 TYR A 98 3.206 -13.216 8.938 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.525 -14.797 9.536 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.839 -14.174 8.169 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.153 -15.761 8.771 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.309 -15.444 8.089 1.00 0.00 C ATOM 1481 OH TYR A 98 3.938 -16.401 7.325 1.00 0.00 O ATOM 0 H TYR A 98 0.932 -13.221 13.362 1.00 0.00 H new ATOM 0 HA TYR A 98 3.077 -12.180 11.720 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.307 -12.745 10.612 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.350 -11.514 9.928 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.625 -12.223 9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.619 -15.048 10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.744 -13.929 7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.741 -16.757 8.707 1.00 0.00 H new ATOM 0 HH TYR A 98 4.197 -17.156 7.894 1.00 0.00 H new ATOM 1491 N SER A 99 1.982 -9.823 11.921 1.00 0.00 N ATOM 1492 CA SER A 99 1.591 -8.508 12.416 1.00 0.00 C ATOM 1493 C SER A 99 1.204 -7.586 11.263 1.00 0.00 C ATOM 1494 O SER A 99 1.599 -7.807 10.118 1.00 0.00 O ATOM 1495 CB SER A 99 2.730 -7.884 13.223 1.00 0.00 C ATOM 1496 OG SER A 99 3.138 -8.739 14.276 1.00 0.00 O ATOM 0 H SER A 99 2.645 -9.802 11.146 1.00 0.00 H new ATOM 0 HA SER A 99 0.724 -8.634 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.576 -7.681 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.408 -6.927 13.632 1.00 0.00 H new ATOM 0 HG SER A 99 3.868 -8.317 14.775 1.00 0.00 H new ATOM 1502 N PHE A 100 0.430 -6.553 11.574 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.012 -5.597 10.565 1.00 0.00 C ATOM 1504 C PHE A 100 -0.082 -4.187 11.145 1.00 0.00 C ATOM 1505 O PHE A 100 0.013 -3.999 12.357 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.380 -6.001 10.013 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.347 -7.256 9.187 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.486 -8.498 9.785 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.175 -7.192 7.814 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.455 -9.654 9.027 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.145 -8.345 7.052 1.00 0.00 C ATOM 1512 CZ PHE A 100 -1.284 -9.577 7.659 1.00 0.00 C ATOM 0 H PHE A 100 0.095 -6.356 12.517 1.00 0.00 H new ATOM 0 HA PHE A 100 0.716 -5.602 9.753 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.071 -6.141 10.844 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.773 -5.186 9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.620 -8.564 10.855 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.063 -6.231 7.334 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.564 -10.616 9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.013 -8.282 5.982 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.259 -10.479 7.065 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.247 -3.201 10.269 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.328 -1.809 10.694 1.00 0.00 C ATOM 1524 C GLN A 101 -1.065 -0.966 9.659 1.00 0.00 C ATOM 1525 O GLN A 101 -0.893 -1.153 8.454 1.00 0.00 O ATOM 1526 CB GLN A 101 1.074 -1.242 10.926 1.00 0.00 C ATOM 1527 CG GLN A 101 1.073 0.170 11.489 1.00 0.00 C ATOM 1528 CD GLN A 101 2.429 0.585 12.025 1.00 0.00 C ATOM 1529 OE1 GLN A 101 2.652 0.605 13.236 1.00 0.00 O ATOM 1530 NE2 GLN A 101 3.346 0.919 11.124 1.00 0.00 N ATOM 0 H GLN A 101 -0.327 -3.340 9.262 1.00 0.00 H new ATOM 0 HA GLN A 101 -0.886 -1.773 11.629 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.613 -1.897 11.610 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.620 -1.248 9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.765 0.868 10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.334 0.238 12.288 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.119 0.888 10.130 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.277 1.206 11.426 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.888 -0.037 10.136 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.651 0.836 9.251 1.00 0.00 C ATOM 1541 C VAL A 102 -2.449 2.302 9.617 1.00 0.00 C ATOM 1542 O VAL A 102 -2.525 2.677 10.787 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.155 0.509 9.302 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.931 1.417 8.360 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.394 -0.955 8.961 1.00 0.00 C ATOM 0 H VAL A 102 -2.043 0.130 11.130 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.282 0.663 8.240 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.513 0.686 10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.992 1.171 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.785 2.456 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.573 1.275 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.462 -1.168 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.021 -1.160 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.870 -1.586 9.679 1.00 0.00 H new ATOM 1555 N SER A 103 -2.190 3.127 8.608 1.00 0.00 N ATOM 1556 CA SER A 103 -1.973 4.553 8.823 1.00 0.00 C ATOM 1557 C SER A 103 -2.721 5.380 7.782 1.00 0.00 C ATOM 1558 O SER A 103 -2.905 4.947 6.645 1.00 0.00 O ATOM 1559 CB SER A 103 -0.479 4.877 8.770 1.00 0.00 C ATOM 1560 OG SER A 103 -0.260 6.277 8.771 1.00 0.00 O ATOM 0 H SER A 103 -2.125 2.833 7.634 1.00 0.00 H new ATOM 0 HA SER A 103 -2.358 4.809 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.024 4.426 9.625 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.040 4.438 7.874 1.00 0.00 H new ATOM 0 HG SER A 103 0.454 6.496 9.405 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.151 6.573 8.180 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.878 7.462 7.282 1.00 0.00 C ATOM 1568 C ALA A 104 -2.932 8.444 6.599 1.00 0.00 C ATOM 1569 O ALA A 104 -2.375 9.333 7.242 1.00 0.00 O ATOM 1570 CB ALA A 104 -4.960 8.211 8.044 1.00 0.00 C ATOM 0 H ALA A 104 -3.008 6.946 9.119 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.348 6.854 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.495 8.871 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.658 7.497 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.503 8.803 8.837 1.00 0.00 H new ATOM 1576 N MET A 105 -2.756 8.277 5.292 1.00 0.00 N ATOM 1577 CA MET A 105 -1.878 9.150 4.522 1.00 0.00 C ATOM 1578 C MET A 105 -2.626 10.391 4.047 1.00 0.00 C ATOM 1579 O MET A 105 -3.688 10.292 3.431 1.00 0.00 O ATOM 1580 CB MET A 105 -1.300 8.397 3.322 1.00 0.00 C ATOM 1581 CG MET A 105 0.007 7.684 3.624 1.00 0.00 C ATOM 1582 SD MET A 105 0.799 7.027 2.142 1.00 0.00 S ATOM 1583 CE MET A 105 0.072 5.392 2.066 1.00 0.00 C ATOM 0 H MET A 105 -3.210 7.546 4.745 1.00 0.00 H new ATOM 0 HA MET A 105 -1.061 9.467 5.171 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.031 7.667 2.975 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.140 9.100 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.688 8.376 4.119 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.181 6.869 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 105 -0.074 5.107 1.024 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.737 4.675 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.890 5.397 2.579 1.00 0.00 H new ATOM 1593 N THR A 106 -2.066 11.562 4.336 1.00 0.00 N ATOM 1594 CA THR A 106 -2.681 12.822 3.940 1.00 0.00 C ATOM 1595 C THR A 106 -1.897 13.486 2.813 1.00 0.00 C ATOM 1596 O THR A 106 -0.922 12.928 2.309 1.00 0.00 O ATOM 1597 CB THR A 106 -2.777 13.798 5.128 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.523 13.858 5.816 1.00 0.00 O ATOM 1599 CG2 THR A 106 -3.871 13.369 6.093 1.00 0.00 C ATOM 0 H THR A 106 -1.187 11.663 4.843 1.00 0.00 H new ATOM 0 HA THR A 106 -3.686 12.587 3.590 1.00 0.00 H new ATOM 0 HB THR A 106 -3.024 14.786 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.540 14.593 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.920 14.073 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.829 13.354 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.649 12.372 6.475 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.329 14.681 2.423 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.666 15.422 1.356 1.00 0.00 C ATOM 1609 C VAL A 107 -0.235 15.779 1.742 1.00 0.00 C ATOM 1610 O VAL A 107 0.581 16.124 0.889 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.431 16.714 1.011 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -2.408 17.678 2.187 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -1.845 17.363 -0.233 1.00 0.00 C ATOM 0 H VAL A 107 -3.135 15.157 2.830 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.652 14.772 0.481 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.470 16.457 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.953 18.585 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.878 17.209 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.376 17.932 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.397 18.274 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.798 17.608 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.919 16.672 -1.073 1.00 0.00 H new ATOM 1623 N ASN A 108 0.062 15.692 3.035 1.00 0.00 N ATOM 1624 CA ASN A 108 1.396 16.006 3.535 1.00 0.00 C ATOM 1625 C ASN A 108 2.281 14.764 3.540 1.00 0.00 C ATOM 1626 O ASN A 108 3.222 14.656 2.754 1.00 0.00 O ATOM 1627 CB ASN A 108 1.309 16.591 4.946 1.00 0.00 C ATOM 1628 CG ASN A 108 2.565 17.346 5.337 1.00 0.00 C ATOM 1629 OD1 ASN A 108 3.411 16.829 6.067 1.00 0.00 O ATOM 1630 ND2 ASN A 108 2.691 18.575 4.852 1.00 0.00 N ATOM 0 H ASN A 108 -0.602 15.407 3.755 1.00 0.00 H new ATOM 0 HA ASN A 108 1.842 16.745 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.452 17.261 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.135 15.786 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.515 19.132 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.964 18.963 4.250 1.00 0.00 H new ATOM 1637 N GLY A 109 1.972 13.828 4.432 1.00 0.00 N ATOM 1638 CA GLY A 109 2.749 12.605 4.523 1.00 0.00 C ATOM 1639 C GLY A 109 1.980 11.478 5.184 1.00 0.00 C ATOM 1640 O GLY A 109 0.749 11.464 5.172 1.00 0.00 O ATOM 0 H GLY A 109 1.198 13.894 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.053 12.296 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.661 12.799 5.088 1.00 0.00 H new ATOM 1644 N THR A 110 2.708 10.527 5.761 1.00 0.00 N ATOM 1645 CA THR A 110 2.087 9.389 6.428 1.00 0.00 C ATOM 1646 C THR A 110 1.717 9.729 7.867 1.00 0.00 C ATOM 1647 O THR A 110 2.560 10.169 8.647 1.00 0.00 O ATOM 1648 CB THR A 110 3.018 8.161 6.425 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.315 7.774 5.079 1.00 0.00 O ATOM 1650 CG2 THR A 110 2.377 6.995 7.163 1.00 0.00 C ATOM 0 H THR A 110 3.728 10.522 5.780 1.00 0.00 H new ATOM 0 HA THR A 110 1.181 9.151 5.870 1.00 0.00 H new ATOM 0 HB THR A 110 3.942 8.432 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.253 7.975 4.880 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.052 6.139 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.179 7.283 8.195 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.440 6.726 6.675 1.00 0.00 H new ATOM 1658 N GLY A 111 0.450 9.521 8.212 1.00 0.00 N ATOM 1659 CA GLY A 111 -0.009 9.810 9.558 1.00 0.00 C ATOM 1660 C GLY A 111 0.624 8.903 10.594 1.00 0.00 C ATOM 1661 O GLY A 111 1.596 8.197 10.322 1.00 0.00 O ATOM 0 H GLY A 111 -0.267 9.158 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.218 10.848 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.093 9.703 9.600 1.00 0.00 H new ATOM 1665 N PRO A 112 0.069 8.915 11.815 1.00 0.00 N ATOM 1666 CA PRO A 112 0.570 8.093 12.921 1.00 0.00 C ATOM 1667 C PRO A 112 0.302 6.607 12.706 1.00 0.00 C ATOM 1668 O PRO A 112 -0.804 6.196 12.353 1.00 0.00 O ATOM 1669 CB PRO A 112 -0.215 8.609 14.130 1.00 0.00 C ATOM 1670 CG PRO A 112 -1.467 9.175 13.555 1.00 0.00 C ATOM 1671 CD PRO A 112 -1.091 9.731 12.210 1.00 0.00 C ATOM 0 HA PRO A 112 1.651 8.173 13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.431 7.805 14.834 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.349 9.367 14.674 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.234 8.407 13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.875 9.954 14.199 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.909 9.640 11.495 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.836 10.789 12.270 1.00 0.00 H new ATOM 1679 N PRO A 113 1.336 5.781 12.924 1.00 0.00 N ATOM 1680 CA PRO A 113 1.235 4.328 12.762 1.00 0.00 C ATOM 1681 C PRO A 113 0.367 3.683 13.836 1.00 0.00 C ATOM 1682 O PRO A 113 0.743 3.637 15.008 1.00 0.00 O ATOM 1683 CB PRO A 113 2.686 3.855 12.892 1.00 0.00 C ATOM 1684 CG PRO A 113 3.355 4.907 13.708 1.00 0.00 C ATOM 1685 CD PRO A 113 2.682 6.202 13.347 1.00 0.00 C ATOM 0 HA PRO A 113 0.766 4.055 11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.743 2.881 13.378 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.158 3.752 11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.253 4.698 14.773 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.423 4.949 13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.641 6.884 14.196 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.211 6.720 12.547 1.00 0.00 H new ATOM 1693 N SER A 114 -0.797 3.185 13.430 1.00 0.00 N ATOM 1694 CA SER A 114 -1.721 2.545 14.360 1.00 0.00 C ATOM 1695 C SER A 114 -1.023 1.437 15.143 1.00 0.00 C ATOM 1696 O SER A 114 -0.090 0.805 14.649 1.00 0.00 O ATOM 1697 CB SER A 114 -2.922 1.972 13.605 1.00 0.00 C ATOM 1698 OG SER A 114 -3.833 1.350 14.494 1.00 0.00 O ATOM 0 H SER A 114 -1.123 3.212 12.464 1.00 0.00 H new ATOM 0 HA SER A 114 -2.070 3.300 15.065 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.427 2.769 13.060 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.579 1.248 12.865 1.00 0.00 H new ATOM 0 HG SER A 114 -4.650 1.887 14.554 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.482 1.208 16.369 1.00 0.00 N ATOM 1705 CA ASN A 115 -0.903 0.178 17.223 1.00 0.00 C ATOM 1706 C ASN A 115 -0.636 -1.098 16.430 1.00 0.00 C ATOM 1707 O ASN A 115 -1.530 -1.631 15.772 1.00 0.00 O ATOM 1708 CB ASN A 115 -1.835 -0.124 18.398 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.412 1.135 19.016 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -3.517 1.556 18.675 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -1.665 1.741 19.931 1.00 0.00 N ATOM 0 H ASN A 115 -2.254 1.722 16.793 1.00 0.00 H new ATOM 0 HA ASN A 115 0.046 0.551 17.608 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.649 -0.764 18.058 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.288 -0.681 19.159 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.002 2.592 20.382 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -0.755 1.356 20.183 1.00 0.00 H new ATOM 1718 N TRP A 116 0.599 -1.583 16.499 1.00 0.00 N ATOM 1719 CA TRP A 116 0.983 -2.797 15.788 1.00 0.00 C ATOM 1720 C TRP A 116 0.181 -3.995 16.283 1.00 0.00 C ATOM 1721 O TRP A 116 0.454 -4.537 17.354 1.00 0.00 O ATOM 1722 CB TRP A 116 2.480 -3.062 15.963 1.00 0.00 C ATOM 1723 CG TRP A 116 3.333 -2.327 14.974 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.908 -1.100 15.141 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.704 -2.772 13.665 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.616 -0.755 14.014 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.507 -1.764 13.094 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.439 -3.924 12.919 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 5.043 -1.876 11.814 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.972 -4.033 11.649 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.767 -3.014 11.107 1.00 0.00 C ATOM 0 H TRP A 116 1.351 -1.155 17.039 1.00 0.00 H new ATOM 0 HA TRP A 116 0.767 -2.652 14.729 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.777 -2.775 16.972 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.666 -4.132 15.868 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.820 -0.490 16.028 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.138 0.112 13.884 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.828 -4.715 13.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.655 -1.092 11.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.773 -4.919 11.064 1.00 0.00 H new ATOM 0 HH2 TRP A 116 5.170 -3.130 10.112 1.00 0.00 H new ATOM 1742 N TYR A 117 -0.809 -4.404 15.497 1.00 0.00 N ATOM 1743 CA TYR A 117 -1.652 -5.537 15.857 1.00 0.00 C ATOM 1744 C TYR A 117 -1.002 -6.854 15.443 1.00 0.00 C ATOM 1745 O TYR A 117 -0.071 -6.875 14.638 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.028 -5.406 15.200 1.00 0.00 C ATOM 1747 CG TYR A 117 -3.879 -4.307 15.794 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.745 -2.991 15.369 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -4.820 -4.585 16.778 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.521 -1.983 15.909 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -5.601 -3.584 17.323 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.448 -2.285 16.886 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.223 -1.285 17.425 1.00 0.00 O ATOM 0 H TYR A 117 -1.047 -3.967 14.606 1.00 0.00 H new ATOM 0 HA TYR A 117 -1.772 -5.537 16.940 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -2.896 -5.217 14.135 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.557 -6.354 15.292 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.022 -2.752 14.603 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -4.943 -5.601 17.123 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.403 -0.965 15.569 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.327 -3.818 18.087 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.825 -1.665 18.099 1.00 0.00 H new ATOM 1763 N THR A 118 -1.501 -7.954 16.000 1.00 0.00 N ATOM 1764 CA THR A 118 -0.970 -9.275 15.691 1.00 0.00 C ATOM 1765 C THR A 118 -2.092 -10.258 15.376 1.00 0.00 C ATOM 1766 O THR A 118 -3.009 -10.444 16.175 1.00 0.00 O ATOM 1767 CB THR A 118 -0.128 -9.829 16.855 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.852 -8.864 17.254 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.562 -11.125 16.456 1.00 0.00 C ATOM 0 H THR A 118 -2.272 -7.955 16.667 1.00 0.00 H new ATOM 0 HA THR A 118 -0.332 -9.162 14.814 1.00 0.00 H new ATOM 0 HB THR A 118 -0.796 -10.035 17.691 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.382 -9.224 17.996 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.151 -11.497 17.295 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.188 -11.867 16.182 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.218 -10.941 15.605 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.011 -10.887 14.208 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.019 -11.853 13.789 1.00 0.00 C ATOM 1779 C ALA A 119 -2.415 -13.245 13.639 1.00 0.00 C ATOM 1780 O ALA A 119 -1.356 -13.410 13.034 1.00 0.00 O ATOM 1781 CB ALA A 119 -3.664 -11.412 12.484 1.00 0.00 C ATOM 0 H ALA A 119 -1.258 -10.745 13.535 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.786 -11.899 14.562 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.414 -12.143 12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.139 -10.441 12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.901 -11.336 11.709 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.095 -14.244 14.195 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.623 -15.622 14.123 1.00 0.00 C ATOM 1789 C GLU A 120 -3.497 -16.448 13.184 1.00 0.00 C ATOM 1790 O GLU A 120 -4.724 -16.345 13.207 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.613 -16.254 15.516 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.464 -15.782 16.391 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.370 -16.549 17.696 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -2.225 -16.326 18.578 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -0.441 -17.372 17.834 1.00 0.00 O ATOM 0 H GLU A 120 -3.973 -14.125 14.700 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.607 -15.611 13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.555 -16.028 16.015 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.559 -17.338 15.414 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.528 -15.889 15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.588 -14.721 16.606 1.00 0.00 H new ATOM 1802 N THR A 121 -2.856 -17.267 12.356 1.00 0.00 N ATOM 1803 CA THR A 121 -3.573 -18.110 11.408 1.00 0.00 C ATOM 1804 C THR A 121 -3.948 -19.448 12.035 1.00 0.00 C ATOM 1805 O THR A 121 -3.202 -20.019 12.831 1.00 0.00 O ATOM 1806 CB THR A 121 -2.736 -18.367 10.140 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.475 -18.946 10.495 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.508 -17.075 9.371 1.00 0.00 C ATOM 0 H THR A 121 -1.841 -17.364 12.323 1.00 0.00 H new ATOM 0 HA THR A 121 -4.481 -17.574 11.133 1.00 0.00 H new ATOM 0 HB THR A 121 -3.286 -19.058 9.502 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.880 -18.248 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.915 -17.282 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.469 -16.652 9.077 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.977 -16.364 10.004 1.00 0.00 H new ATOM 1816 N PRO A 122 -5.131 -19.962 11.670 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.632 -21.240 12.184 1.00 0.00 C ATOM 1818 C PRO A 122 -4.840 -22.430 11.652 1.00 0.00 C ATOM 1819 O PRO A 122 -4.920 -22.760 10.470 1.00 0.00 O ATOM 1820 CB PRO A 122 -7.075 -21.288 11.675 1.00 0.00 C ATOM 1821 CG PRO A 122 -7.076 -20.424 10.461 1.00 0.00 C ATOM 1822 CD PRO A 122 -6.072 -19.336 10.726 1.00 0.00 C ATOM 0 HA PRO A 122 -5.546 -21.303 13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.377 -22.308 11.436 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.772 -20.917 12.426 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.806 -20.997 9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -8.066 -20.006 10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.572 -19.019 9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.542 -18.451 11.155 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.076 -23.069 12.533 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.270 -24.222 12.150 1.00 0.00 C ATOM 1832 C GLU A 123 -3.994 -25.070 11.108 1.00 0.00 C ATOM 1833 O GLU A 123 -3.387 -25.549 10.152 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.941 -25.073 13.378 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.195 -24.314 14.462 1.00 0.00 C ATOM 1836 CD GLU A 123 -1.998 -25.137 15.720 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -1.144 -26.048 15.706 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -2.699 -24.870 16.719 1.00 0.00 O ATOM 0 H GLU A 123 -3.999 -22.808 13.516 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.342 -23.855 11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.868 -25.468 13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.341 -25.928 13.067 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.223 -24.004 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.745 -23.406 14.709 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.296 -25.251 11.303 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.104 -26.043 10.382 1.00 0.00 C ATOM 1847 C ASN A 124 -7.046 -25.150 9.580 1.00 0.00 C ATOM 1848 O ASN A 124 -7.804 -24.364 10.147 1.00 0.00 O ATOM 1849 CB ASN A 124 -6.909 -27.093 11.149 1.00 0.00 C ATOM 1850 CG ASN A 124 -6.084 -28.321 11.486 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -4.855 -28.269 11.510 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -6.760 -29.433 11.748 1.00 0.00 N ATOM 0 H ASN A 124 -5.814 -24.860 12.090 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.431 -26.547 9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -7.292 -26.652 12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.773 -27.391 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -6.260 -30.291 11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -7.780 -29.430 11.716 1.00 0.00 H new