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 99 SER OG : rot 180:sc= 0.0278 USER MOD Set 1.2: A 118 THR OG1 : rot -68:sc= 0.0301 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 152:sc= -0.0323 (180deg=-0.0387) USER MOD Set 2.2: A 96 SER OG : rot 77:sc= 0 USER MOD Set 2.3: 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= -0.222 X(o=-0.22,f=-0.017) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0059 USER MOD Single : A 41 ASN : amide:sc= -9! C(o=-9!,f=-19!) USER MOD Single : A 42 SER OG : rot -85:sc= 1.2 USER MOD Single : A 44 SER OG : rot 180:sc= -1.07 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -130:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.38!) USER MOD Single : A 58 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.36) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 80:sc= -0.579 USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -1.44 (180deg=-2.1!) USER MOD Single : A 68 HIS : no HD1:sc= -4.37! K(o=-4.4!,f=-2.3) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -21:sc= 0.606 USER MOD Single : A 83 ASN : amide:sc=-0.00176 X(o=-0.0018,f=-0.0018) USER MOD Single : A 84 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.016) 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+ 149:sc= -0.0568 (180deg=-0.771) USER MOD Single : A 97 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.78) USER MOD Single : A 101 GLN : amide:sc= -7.83! C(o=-7.8!,f=-6.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -124:sc= -3.26 (180deg=-9.79!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 100:sc= -0.622 USER MOD Single : A 114 SER OG : rot -100:sc= 1.31 USER MOD Single : A 115 ASN : amide:sc= -0.0464 X(o=-0.046,f=-0.36) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -179:sc= 0.186 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 1.102 16.889 9.034 1.00 0.00 N ATOM 340 CA VAL A 27 0.635 15.531 9.287 1.00 0.00 C ATOM 341 C VAL A 27 -0.477 15.518 10.330 1.00 0.00 C ATOM 342 O VAL A 27 -0.648 16.461 11.103 1.00 0.00 O ATOM 343 CB VAL A 27 1.783 14.623 9.766 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.456 13.944 8.582 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.792 15.422 10.576 1.00 0.00 C ATOM 0 HA VAL A 27 0.248 15.148 8.343 1.00 0.00 H new ATOM 0 HB VAL A 27 1.366 13.849 10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.265 13.306 8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.725 13.338 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.861 14.701 7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.596 14.764 10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.206 16.219 9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.298 15.856 11.445 1.00 0.00 H new ATOM 355 N PRO A 28 -1.253 14.424 10.354 1.00 0.00 N ATOM 356 CA PRO A 28 -2.362 14.261 11.298 1.00 0.00 C ATOM 357 C PRO A 28 -1.879 14.070 12.732 1.00 0.00 C ATOM 358 O PRO A 28 -0.678 13.985 12.987 1.00 0.00 O ATOM 359 CB PRO A 28 -3.070 12.998 10.800 1.00 0.00 C ATOM 360 CG PRO A 28 -2.015 12.233 10.076 1.00 0.00 C ATOM 361 CD PRO A 28 -1.106 13.262 9.461 1.00 0.00 C ATOM 0 HA PRO A 28 -3.004 15.142 11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.479 12.421 11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.903 13.244 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.465 11.585 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.453 11.592 9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.074 12.914 9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.402 13.500 8.439 1.00 0.00 H new ATOM 369 N SER A 29 -2.823 14.002 13.665 1.00 0.00 N ATOM 370 CA SER A 29 -2.494 13.824 15.075 1.00 0.00 C ATOM 371 C SER A 29 -3.369 12.745 15.705 1.00 0.00 C ATOM 372 O SER A 29 -3.546 12.707 16.922 1.00 0.00 O ATOM 373 CB SER A 29 -2.666 15.143 15.831 1.00 0.00 C ATOM 374 OG SER A 29 -1.514 15.958 15.703 1.00 0.00 O ATOM 0 H SER A 29 -3.822 14.067 13.470 1.00 0.00 H new ATOM 0 HA SER A 29 -1.453 13.508 15.143 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.536 15.675 15.447 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.856 14.940 16.885 1.00 0.00 H new ATOM 0 HG SER A 29 -1.650 16.796 16.193 1.00 0.00 H new ATOM 380 N ALA A 30 -3.913 11.869 14.867 1.00 0.00 N ATOM 381 CA ALA A 30 -4.767 10.787 15.341 1.00 0.00 C ATOM 382 C ALA A 30 -4.740 9.604 14.380 1.00 0.00 C ATOM 383 O ALA A 30 -4.728 9.765 13.159 1.00 0.00 O ATOM 384 CB ALA A 30 -6.193 11.285 15.528 1.00 0.00 C ATOM 0 H ALA A 30 -3.777 11.887 13.856 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.382 10.448 16.303 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.820 10.467 15.882 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.203 12.093 16.259 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.578 11.652 14.577 1.00 0.00 H new ATOM 390 N PRO A 31 -4.728 8.385 14.941 1.00 0.00 N ATOM 391 CA PRO A 31 -4.701 7.151 14.150 1.00 0.00 C ATOM 392 C PRO A 31 -6.013 6.906 13.412 1.00 0.00 C ATOM 393 O PRO A 31 -7.020 7.575 13.648 1.00 0.00 O ATOM 394 CB PRO A 31 -4.468 6.062 15.201 1.00 0.00 C ATOM 395 CG PRO A 31 -4.998 6.639 16.468 1.00 0.00 C ATOM 396 CD PRO A 31 -4.741 8.119 16.389 1.00 0.00 C ATOM 0 HA PRO A 31 -3.939 7.183 13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.987 5.140 14.938 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.410 5.817 15.290 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.063 6.433 16.575 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.500 6.202 17.334 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.519 8.690 16.896 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.793 8.388 16.856 1.00 0.00 H new ATOM 404 N PRO A 32 -6.004 5.925 12.498 1.00 0.00 N ATOM 405 CA PRO A 32 -7.186 5.569 11.707 1.00 0.00 C ATOM 406 C PRO A 32 -8.270 4.907 12.551 1.00 0.00 C ATOM 407 O PRO A 32 -8.148 4.814 13.772 1.00 0.00 O ATOM 408 CB PRO A 32 -6.637 4.585 10.672 1.00 0.00 C ATOM 409 CG PRO A 32 -5.427 3.997 11.312 1.00 0.00 C ATOM 410 CD PRO A 32 -4.840 5.087 12.165 1.00 0.00 C ATOM 0 HA PRO A 32 -7.663 6.446 11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.370 3.816 10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.385 5.091 9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.688 3.127 11.915 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.712 3.661 10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.365 4.685 13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.079 5.652 11.627 1.00 0.00 H new ATOM 418 N GLN A 33 -9.329 4.447 11.891 1.00 0.00 N ATOM 419 CA GLN A 33 -10.433 3.793 12.582 1.00 0.00 C ATOM 420 C GLN A 33 -10.687 2.403 12.009 1.00 0.00 C ATOM 421 O GLN A 33 -10.324 2.115 10.869 1.00 0.00 O ATOM 422 CB GLN A 33 -11.702 4.641 12.477 1.00 0.00 C ATOM 423 CG GLN A 33 -11.795 5.731 13.532 1.00 0.00 C ATOM 424 CD GLN A 33 -13.153 6.405 13.556 1.00 0.00 C ATOM 425 OE1 GLN A 33 -14.180 5.751 13.739 1.00 0.00 O ATOM 426 NE2 GLN A 33 -13.164 7.720 13.372 1.00 0.00 N ATOM 0 H GLN A 33 -9.445 4.515 10.880 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.160 3.688 13.632 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.742 5.099 11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.572 3.990 12.562 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.590 5.301 14.512 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.025 6.480 13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.288 8.222 13.224 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.048 8.229 13.379 1.00 0.00 H new ATOM 435 N ASN A 34 -11.313 1.544 12.807 1.00 0.00 N ATOM 436 CA ASN A 34 -11.615 0.183 12.379 1.00 0.00 C ATOM 437 C ASN A 34 -10.335 -0.582 12.057 1.00 0.00 C ATOM 438 O ASN A 34 -10.228 -1.222 11.010 1.00 0.00 O ATOM 439 CB ASN A 34 -12.532 0.203 11.155 1.00 0.00 C ATOM 440 CG ASN A 34 -13.379 -1.051 11.046 1.00 0.00 C ATOM 441 OD1 ASN A 34 -14.174 -1.355 11.935 1.00 0.00 O ATOM 442 ND2 ASN A 34 -13.209 -1.786 9.953 1.00 0.00 N ATOM 0 H ASN A 34 -11.621 1.766 13.754 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.125 -0.325 13.198 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.184 1.075 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.928 0.310 10.254 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.749 -2.642 9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.538 -1.495 9.242 1.00 0.00 H new ATOM 449 N VAL A 35 -9.365 -0.512 12.963 1.00 0.00 N ATOM 450 CA VAL A 35 -8.093 -1.199 12.777 1.00 0.00 C ATOM 451 C VAL A 35 -8.110 -2.575 13.433 1.00 0.00 C ATOM 452 O VAL A 35 -7.753 -2.722 14.602 1.00 0.00 O ATOM 453 CB VAL A 35 -6.923 -0.381 13.356 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.598 -1.075 13.081 1.00 0.00 C ATOM 455 CG2 VAL A 35 -6.925 1.029 12.785 1.00 0.00 C ATOM 0 H VAL A 35 -9.436 0.014 13.834 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.950 -1.314 11.703 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.051 -0.311 14.436 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.784 -0.482 13.497 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.602 -2.062 13.543 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.458 -1.179 12.005 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.092 1.593 13.205 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.822 0.983 11.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.863 1.523 13.040 1.00 0.00 H new ATOM 465 N SER A 36 -8.528 -3.582 12.672 1.00 0.00 N ATOM 466 CA SER A 36 -8.595 -4.947 13.180 1.00 0.00 C ATOM 467 C SER A 36 -8.189 -5.948 12.102 1.00 0.00 C ATOM 468 O SER A 36 -8.288 -5.667 10.907 1.00 0.00 O ATOM 469 CB SER A 36 -10.007 -5.260 13.677 1.00 0.00 C ATOM 470 OG SER A 36 -10.099 -6.594 14.145 1.00 0.00 O ATOM 0 H SER A 36 -8.825 -3.478 11.702 1.00 0.00 H new ATOM 0 HA SER A 36 -7.897 -5.033 14.013 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.275 -4.571 14.478 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.723 -5.104 12.870 1.00 0.00 H new ATOM 0 HG SER A 36 -11.011 -6.768 14.459 1.00 0.00 H new ATOM 476 N LEU A 37 -7.731 -7.119 12.534 1.00 0.00 N ATOM 477 CA LEU A 37 -7.310 -8.164 11.607 1.00 0.00 C ATOM 478 C LEU A 37 -8.385 -9.236 11.470 1.00 0.00 C ATOM 479 O LEU A 37 -9.006 -9.635 12.455 1.00 0.00 O ATOM 480 CB LEU A 37 -6.000 -8.796 12.082 1.00 0.00 C ATOM 481 CG LEU A 37 -4.810 -7.847 12.227 1.00 0.00 C ATOM 482 CD1 LEU A 37 -3.576 -8.605 12.690 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.536 -7.131 10.912 1.00 0.00 C ATOM 0 H LEU A 37 -7.642 -7.368 13.519 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.153 -7.707 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.178 -9.272 13.046 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.726 -9.585 11.382 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.056 -7.099 12.981 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.739 -7.913 12.788 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.776 -9.071 13.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.327 -9.375 11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.686 -6.460 11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.311 -7.865 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.415 -6.555 10.621 1.00 0.00 H new ATOM 495 N GLU A 38 -8.599 -9.699 10.242 1.00 0.00 N ATOM 496 CA GLU A 38 -9.599 -10.727 9.977 1.00 0.00 C ATOM 497 C GLU A 38 -8.994 -11.884 9.188 1.00 0.00 C ATOM 498 O GLU A 38 -8.727 -11.762 7.992 1.00 0.00 O ATOM 499 CB GLU A 38 -10.782 -10.133 9.209 1.00 0.00 C ATOM 500 CG GLU A 38 -12.103 -10.826 9.496 1.00 0.00 C ATOM 501 CD GLU A 38 -13.297 -10.036 8.993 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.678 -9.050 9.657 1.00 0.00 O ATOM 503 OE2 GLU A 38 -13.849 -10.405 7.936 1.00 0.00 O ATOM 0 H GLU A 38 -8.094 -9.379 9.416 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.953 -11.110 10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.874 -9.076 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.576 -10.190 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.101 -11.811 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.202 -10.982 10.570 1.00 0.00 H new ATOM 510 N VAL A 39 -8.781 -13.008 9.865 1.00 0.00 N ATOM 511 CA VAL A 39 -8.208 -14.187 9.228 1.00 0.00 C ATOM 512 C VAL A 39 -9.265 -14.956 8.443 1.00 0.00 C ATOM 513 O VAL A 39 -10.310 -15.322 8.982 1.00 0.00 O ATOM 514 CB VAL A 39 -7.568 -15.130 10.264 1.00 0.00 C ATOM 515 CG1 VAL A 39 -6.945 -16.336 9.577 1.00 0.00 C ATOM 516 CG2 VAL A 39 -6.533 -14.385 11.094 1.00 0.00 C ATOM 0 H VAL A 39 -8.997 -13.127 10.855 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.437 -13.833 8.544 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.349 -15.488 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.498 -16.990 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.715 -16.882 9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.175 -16.001 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.091 -15.066 11.821 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.753 -13.996 10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.013 -13.558 11.617 1.00 0.00 H new ATOM 526 N VAL A 40 -8.987 -15.197 7.166 1.00 0.00 N ATOM 527 CA VAL A 40 -9.913 -15.924 6.306 1.00 0.00 C ATOM 528 C VAL A 40 -9.393 -17.323 5.996 1.00 0.00 C ATOM 529 O VAL A 40 -10.153 -18.290 5.982 1.00 0.00 O ATOM 530 CB VAL A 40 -10.156 -15.174 4.983 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.228 -15.874 4.161 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.540 -13.727 5.254 1.00 0.00 C ATOM 0 H VAL A 40 -8.128 -14.899 6.704 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.855 -16.002 6.850 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.230 -15.179 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.386 -15.330 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.908 -16.891 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.159 -15.903 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.708 -13.212 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.452 -13.698 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.735 -13.233 5.798 1.00 0.00 H new ATOM 542 N ASN A 41 -8.091 -17.423 5.749 1.00 0.00 N ATOM 543 CA ASN A 41 -7.468 -18.705 5.439 1.00 0.00 C ATOM 544 C ASN A 41 -6.092 -18.812 6.090 1.00 0.00 C ATOM 545 O ASN A 41 -5.513 -17.811 6.510 1.00 0.00 O ATOM 546 CB ASN A 41 -7.343 -18.882 3.924 1.00 0.00 C ATOM 547 CG ASN A 41 -8.576 -18.404 3.183 1.00 0.00 C ATOM 548 OD1 ASN A 41 -9.101 -17.325 3.459 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.045 -19.207 2.235 1.00 0.00 N ATOM 0 H ASN A 41 -7.447 -16.632 5.757 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.103 -19.496 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.472 -18.332 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.171 -19.934 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.872 -18.938 1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.578 -20.093 2.040 1.00 0.00 H new ATOM 556 N SER A 42 -5.575 -20.034 6.169 1.00 0.00 N ATOM 557 CA SER A 42 -4.269 -20.274 6.771 1.00 0.00 C ATOM 558 C SER A 42 -3.167 -19.584 5.973 1.00 0.00 C ATOM 559 O SER A 42 -2.052 -19.401 6.462 1.00 0.00 O ATOM 560 CB SER A 42 -3.990 -21.776 6.854 1.00 0.00 C ATOM 561 OG SER A 42 -5.071 -22.463 7.459 1.00 0.00 O ATOM 0 H SER A 42 -6.041 -20.873 5.824 1.00 0.00 H new ATOM 0 HA SER A 42 -4.279 -19.857 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.817 -22.173 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.079 -21.949 7.427 1.00 0.00 H new ATOM 0 HG SER A 42 -4.971 -22.436 8.434 1.00 0.00 H new ATOM 567 N ARG A 43 -3.489 -19.203 4.741 1.00 0.00 N ATOM 568 CA ARG A 43 -2.527 -18.534 3.872 1.00 0.00 C ATOM 569 C ARG A 43 -3.121 -17.256 3.287 1.00 0.00 C ATOM 570 O ARG A 43 -2.608 -16.714 2.308 1.00 0.00 O ATOM 571 CB ARG A 43 -2.089 -19.470 2.744 1.00 0.00 C ATOM 572 CG ARG A 43 -3.190 -20.403 2.265 1.00 0.00 C ATOM 573 CD ARG A 43 -2.827 -21.059 0.942 1.00 0.00 C ATOM 574 NE ARG A 43 -4.011 -21.482 0.199 1.00 0.00 N ATOM 575 CZ ARG A 43 -3.960 -22.074 -0.989 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.790 -22.311 -1.566 1.00 0.00 N ATOM 577 NH2 ARG A 43 -5.081 -22.430 -1.603 1.00 0.00 N ATOM 0 H ARG A 43 -4.408 -19.346 4.322 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.656 -18.268 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.739 -18.872 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.242 -20.066 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.370 -21.172 3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.119 -19.844 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.250 -20.360 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.188 -21.922 1.128 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.927 -21.314 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.926 -22.039 -1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.754 -22.766 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.983 -22.249 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.041 -22.885 -2.515 1.00 0.00 H new ATOM 591 N SER A 44 -4.204 -16.781 3.893 1.00 0.00 N ATOM 592 CA SER A 44 -4.870 -15.570 3.429 1.00 0.00 C ATOM 593 C SER A 44 -5.426 -14.771 4.604 1.00 0.00 C ATOM 594 O SER A 44 -5.990 -15.337 5.541 1.00 0.00 O ATOM 595 CB SER A 44 -5.999 -15.923 2.458 1.00 0.00 C ATOM 596 OG SER A 44 -5.563 -16.859 1.488 1.00 0.00 O ATOM 0 H SER A 44 -4.639 -17.216 4.706 1.00 0.00 H new ATOM 0 HA SER A 44 -4.133 -14.956 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.843 -16.334 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.353 -15.019 1.962 1.00 0.00 H new ATOM 0 HG SER A 44 -6.303 -17.069 0.881 1.00 0.00 H new ATOM 602 N ILE A 45 -5.262 -13.454 4.546 1.00 0.00 N ATOM 603 CA ILE A 45 -5.748 -12.577 5.604 1.00 0.00 C ATOM 604 C ILE A 45 -6.233 -11.247 5.037 1.00 0.00 C ATOM 605 O ILE A 45 -5.620 -10.687 4.128 1.00 0.00 O ATOM 606 CB ILE A 45 -4.656 -12.306 6.656 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.156 -13.623 7.255 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.188 -11.390 7.748 1.00 0.00 C ATOM 609 CD1 ILE A 45 -2.938 -13.461 8.138 1.00 0.00 C ATOM 0 H ILE A 45 -4.796 -12.971 3.778 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.582 -13.091 6.082 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.818 -11.809 6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.959 -14.076 7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.919 -14.314 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.405 -11.208 8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.500 -10.443 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.041 -11.862 8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.639 -14.434 8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.120 -13.037 7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.176 -12.795 8.968 1.00 0.00 H new ATOM 621 N LYS A 46 -7.337 -10.746 5.581 1.00 0.00 N ATOM 622 CA LYS A 46 -7.904 -9.480 5.132 1.00 0.00 C ATOM 623 C LYS A 46 -7.658 -8.380 6.160 1.00 0.00 C ATOM 624 O LYS A 46 -7.769 -8.605 7.365 1.00 0.00 O ATOM 625 CB LYS A 46 -9.406 -9.631 4.881 1.00 0.00 C ATOM 626 CG LYS A 46 -9.958 -8.632 3.879 1.00 0.00 C ATOM 627 CD LYS A 46 -11.440 -8.381 4.101 1.00 0.00 C ATOM 628 CE LYS A 46 -12.048 -7.584 2.957 1.00 0.00 C ATOM 629 NZ LYS A 46 -12.480 -8.463 1.836 1.00 0.00 N ATOM 0 H LYS A 46 -7.857 -11.198 6.334 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.413 -9.200 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.606 -10.641 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.937 -9.517 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.412 -7.692 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.799 -9.004 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.961 -9.334 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.582 -7.842 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.903 -7.017 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.319 -6.861 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.889 -7.882 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.659 -8.985 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.194 -9.137 2.179 1.00 0.00 H new ATOM 643 N VAL A 47 -7.326 -7.187 5.675 1.00 0.00 N ATOM 644 CA VAL A 47 -7.068 -6.051 6.551 1.00 0.00 C ATOM 645 C VAL A 47 -7.809 -4.808 6.073 1.00 0.00 C ATOM 646 O VAL A 47 -7.559 -4.307 4.977 1.00 0.00 O ATOM 647 CB VAL A 47 -5.562 -5.737 6.634 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.332 -4.400 7.323 1.00 0.00 C ATOM 649 CG2 VAL A 47 -4.824 -6.853 7.358 1.00 0.00 C ATOM 0 H VAL A 47 -7.230 -6.983 4.680 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.430 -6.327 7.541 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.167 -5.669 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.263 -4.195 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.827 -3.610 6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.742 -4.436 8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.762 -6.614 7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.220 -6.956 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.961 -7.790 6.818 1.00 0.00 H new ATOM 659 N SER A 48 -8.723 -4.315 6.902 1.00 0.00 N ATOM 660 CA SER A 48 -9.505 -3.131 6.562 1.00 0.00 C ATOM 661 C SER A 48 -9.173 -1.974 7.499 1.00 0.00 C ATOM 662 O SER A 48 -8.405 -2.130 8.449 1.00 0.00 O ATOM 663 CB SER A 48 -11.000 -3.445 6.631 1.00 0.00 C ATOM 664 OG SER A 48 -11.279 -4.724 6.088 1.00 0.00 O ATOM 0 H SER A 48 -8.941 -4.717 7.814 1.00 0.00 H new ATOM 0 HA SER A 48 -9.249 -2.836 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.335 -3.406 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.560 -2.685 6.086 1.00 0.00 H new ATOM 0 HG SER A 48 -12.241 -4.901 6.146 1.00 0.00 H new ATOM 670 N TRP A 49 -9.757 -0.813 7.225 1.00 0.00 N ATOM 671 CA TRP A 49 -9.524 0.372 8.042 1.00 0.00 C ATOM 672 C TRP A 49 -10.474 1.499 7.652 1.00 0.00 C ATOM 673 O TRP A 49 -11.286 1.350 6.738 1.00 0.00 O ATOM 674 CB TRP A 49 -8.074 0.838 7.900 1.00 0.00 C ATOM 675 CG TRP A 49 -7.676 1.117 6.482 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.780 2.307 5.820 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.114 0.186 5.551 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.315 2.172 4.534 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.901 0.880 4.344 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.768 -1.167 5.620 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.359 0.267 3.218 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.231 -1.774 4.501 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.029 -1.058 3.313 1.00 0.00 C ATOM 0 H TRP A 49 -10.396 -0.667 6.443 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.713 0.107 9.082 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.930 1.740 8.494 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.413 0.076 8.312 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.170 3.220 6.245 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.283 2.914 3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.918 -1.727 6.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.204 0.817 2.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.962 -2.819 4.542 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.605 -1.561 2.457 1.00 0.00 H new ATOM 694 N LEU A 50 -10.367 2.625 8.348 1.00 0.00 N ATOM 695 CA LEU A 50 -11.217 3.778 8.073 1.00 0.00 C ATOM 696 C LEU A 50 -10.495 5.079 8.407 1.00 0.00 C ATOM 697 O LEU A 50 -9.556 5.110 9.203 1.00 0.00 O ATOM 698 CB LEU A 50 -12.516 3.682 8.875 1.00 0.00 C ATOM 699 CG LEU A 50 -13.582 2.738 8.317 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.688 2.519 9.337 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.153 3.288 7.018 1.00 0.00 C ATOM 0 H LEU A 50 -9.700 2.764 9.107 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.453 3.778 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.271 3.363 9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.947 4.680 8.951 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.114 1.776 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.437 1.845 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.267 2.081 10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.154 3.474 9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.910 2.604 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.605 4.262 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.354 3.392 6.284 1.00 0.00 H new ATOM 713 N PRO A 51 -10.943 6.181 7.786 1.00 0.00 N ATOM 714 CA PRO A 51 -10.355 7.506 8.004 1.00 0.00 C ATOM 715 C PRO A 51 -10.653 8.051 9.397 1.00 0.00 C ATOM 716 O PRO A 51 -11.651 7.700 10.026 1.00 0.00 O ATOM 717 CB PRO A 51 -11.028 8.372 6.936 1.00 0.00 C ATOM 718 CG PRO A 51 -12.320 7.688 6.652 1.00 0.00 C ATOM 719 CD PRO A 51 -12.057 6.218 6.825 1.00 0.00 C ATOM 0 HA PRO A 51 -9.267 7.486 7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.189 9.389 7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.413 8.444 6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.100 8.028 7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.663 7.907 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.934 5.695 7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.789 5.744 5.881 1.00 0.00 H new ATOM 727 N PRO A 52 -9.768 8.930 9.891 1.00 0.00 N ATOM 728 CA PRO A 52 -9.916 9.542 11.214 1.00 0.00 C ATOM 729 C PRO A 52 -11.077 10.530 11.270 1.00 0.00 C ATOM 730 O PRO A 52 -11.658 10.900 10.249 1.00 0.00 O ATOM 731 CB PRO A 52 -8.585 10.269 11.420 1.00 0.00 C ATOM 732 CG PRO A 52 -8.087 10.544 10.043 1.00 0.00 C ATOM 733 CD PRO A 52 -8.556 9.393 9.196 1.00 0.00 C ATOM 0 HA PRO A 52 -10.136 8.801 11.983 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.721 11.192 11.984 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.881 9.654 11.980 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.479 11.490 9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.000 10.621 10.029 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.773 9.708 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.803 8.607 9.134 1.00 0.00 H new ATOM 741 N PRO A 53 -11.424 10.969 12.489 1.00 0.00 N ATOM 742 CA PRO A 53 -12.517 11.921 12.705 1.00 0.00 C ATOM 743 C PRO A 53 -12.181 13.316 12.191 1.00 0.00 C ATOM 744 O PRO A 53 -11.169 13.903 12.575 1.00 0.00 O ATOM 745 CB PRO A 53 -12.678 11.936 14.228 1.00 0.00 C ATOM 746 CG PRO A 53 -11.343 11.535 14.753 1.00 0.00 C ATOM 747 CD PRO A 53 -10.775 10.570 13.749 1.00 0.00 C ATOM 0 HA PRO A 53 -13.421 11.632 12.170 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.964 12.925 14.586 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.455 11.243 14.551 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.694 12.402 14.871 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.434 11.069 15.734 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.690 10.649 13.685 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.005 9.537 14.010 1.00 0.00 H new ATOM 755 N SER A 54 -13.037 13.844 11.321 1.00 0.00 N ATOM 756 CA SER A 54 -12.829 15.170 10.752 1.00 0.00 C ATOM 757 C SER A 54 -12.197 16.107 11.776 1.00 0.00 C ATOM 758 O SER A 54 -12.547 16.085 12.955 1.00 0.00 O ATOM 759 CB SER A 54 -14.156 15.752 10.262 1.00 0.00 C ATOM 760 OG SER A 54 -14.617 15.071 9.108 1.00 0.00 O ATOM 0 H SER A 54 -13.881 13.373 10.995 1.00 0.00 H new ATOM 0 HA SER A 54 -12.149 15.073 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.902 15.680 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.031 16.811 10.037 1.00 0.00 H new ATOM 0 HG SER A 54 -15.467 15.461 8.816 1.00 0.00 H new ATOM 766 N GLY A 55 -11.261 16.932 11.315 1.00 0.00 N ATOM 767 CA GLY A 55 -10.594 17.867 12.203 1.00 0.00 C ATOM 768 C GLY A 55 -9.113 17.575 12.345 1.00 0.00 C ATOM 769 O GLY A 55 -8.291 18.492 12.376 1.00 0.00 O ATOM 0 H GLY A 55 -10.953 16.969 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.727 18.881 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.065 17.829 13.185 1.00 0.00 H new ATOM 773 N THR A 56 -8.769 16.294 12.432 1.00 0.00 N ATOM 774 CA THR A 56 -7.378 15.883 12.575 1.00 0.00 C ATOM 775 C THR A 56 -6.725 15.672 11.213 1.00 0.00 C ATOM 776 O THR A 56 -5.505 15.753 11.082 1.00 0.00 O ATOM 777 CB THR A 56 -7.256 14.587 13.397 1.00 0.00 C ATOM 778 OG1 THR A 56 -7.757 13.478 12.641 1.00 0.00 O ATOM 779 CG2 THR A 56 -8.022 14.702 14.706 1.00 0.00 C ATOM 0 H THR A 56 -9.436 15.522 12.406 1.00 0.00 H new ATOM 0 HA THR A 56 -6.863 16.687 13.101 1.00 0.00 H new ATOM 0 HB THR A 56 -6.202 14.425 13.624 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.390 12.968 13.188 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.921 13.774 15.269 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.619 15.528 15.292 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.076 14.886 14.496 1.00 0.00 H new ATOM 787 N GLN A 57 -7.547 15.401 10.204 1.00 0.00 N ATOM 788 CA GLN A 57 -7.048 15.178 8.852 1.00 0.00 C ATOM 789 C GLN A 57 -7.084 16.468 8.039 1.00 0.00 C ATOM 790 O GLN A 57 -7.699 16.524 6.974 1.00 0.00 O ATOM 791 CB GLN A 57 -7.873 14.096 8.153 1.00 0.00 C ATOM 792 CG GLN A 57 -9.345 14.448 8.016 1.00 0.00 C ATOM 793 CD GLN A 57 -10.234 13.222 7.953 1.00 0.00 C ATOM 794 OE1 GLN A 57 -10.751 12.762 8.972 1.00 0.00 O ATOM 795 NE2 GLN A 57 -10.418 12.684 6.753 1.00 0.00 N ATOM 0 H GLN A 57 -8.560 15.331 10.297 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.013 14.845 8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.457 13.917 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.781 13.164 8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.647 15.068 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.490 15.044 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.971 13.097 5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.007 11.858 6.649 1.00 0.00 H new ATOM 804 N ASN A 58 -6.422 17.502 8.548 1.00 0.00 N ATOM 805 CA ASN A 58 -6.380 18.791 7.868 1.00 0.00 C ATOM 806 C ASN A 58 -5.769 18.654 6.477 1.00 0.00 C ATOM 807 O ASN A 58 -5.846 19.571 5.660 1.00 0.00 O ATOM 808 CB ASN A 58 -5.577 19.800 8.693 1.00 0.00 C ATOM 809 CG ASN A 58 -5.632 21.198 8.108 1.00 0.00 C ATOM 810 OD1 ASN A 58 -6.441 22.026 8.525 1.00 0.00 O ATOM 811 ND2 ASN A 58 -4.767 21.467 7.137 1.00 0.00 N ATOM 0 H ASN A 58 -5.908 17.472 9.428 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.403 19.150 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.962 19.820 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.539 19.474 8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.756 22.391 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.114 20.749 6.823 1.00 0.00 H new ATOM 818 N GLY A 59 -5.163 17.500 6.214 1.00 0.00 N ATOM 819 CA GLY A 59 -4.548 17.263 4.921 1.00 0.00 C ATOM 820 C GLY A 59 -5.306 16.241 4.097 1.00 0.00 C ATOM 821 O GLY A 59 -5.507 15.107 4.533 1.00 0.00 O ATOM 0 H GLY A 59 -5.087 16.725 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.495 18.202 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.524 16.920 5.067 1.00 0.00 H new ATOM 825 N PHE A 60 -5.731 16.643 2.904 1.00 0.00 N ATOM 826 CA PHE A 60 -6.474 15.755 2.018 1.00 0.00 C ATOM 827 C PHE A 60 -5.956 14.324 2.123 1.00 0.00 C ATOM 828 O PHE A 60 -4.747 14.090 2.151 1.00 0.00 O ATOM 829 CB PHE A 60 -6.372 16.241 0.571 1.00 0.00 C ATOM 830 CG PHE A 60 -7.411 15.647 -0.336 1.00 0.00 C ATOM 831 CD1 PHE A 60 -8.759 15.752 -0.031 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.040 14.981 -1.494 1.00 0.00 C ATOM 833 CE1 PHE A 60 -9.717 15.206 -0.864 1.00 0.00 C ATOM 834 CE2 PHE A 60 -7.994 14.434 -2.330 1.00 0.00 C ATOM 835 CZ PHE A 60 -9.334 14.545 -2.014 1.00 0.00 C ATOM 0 H PHE A 60 -5.574 17.578 2.528 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.520 15.768 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.464 17.327 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.382 15.999 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.064 16.267 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.994 14.889 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.764 15.296 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.692 13.920 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.081 14.116 -2.665 1.00 0.00 H new ATOM 845 N ILE A 61 -6.879 13.370 2.181 1.00 0.00 N ATOM 846 CA ILE A 61 -6.516 11.962 2.282 1.00 0.00 C ATOM 847 C ILE A 61 -6.111 11.399 0.924 1.00 0.00 C ATOM 848 O ILE A 61 -6.800 11.603 -0.076 1.00 0.00 O ATOM 849 CB ILE A 61 -7.676 11.121 2.848 1.00 0.00 C ATOM 850 CG1 ILE A 61 -8.085 11.639 4.228 1.00 0.00 C ATOM 851 CG2 ILE A 61 -7.279 9.654 2.923 1.00 0.00 C ATOM 852 CD1 ILE A 61 -7.069 11.344 5.309 1.00 0.00 C ATOM 0 H ILE A 61 -7.883 13.546 2.160 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.668 11.903 2.964 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.531 11.212 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.241 12.716 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.040 11.193 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.109 9.073 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.032 9.292 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.411 9.545 3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.425 11.740 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.930 10.266 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.119 11.813 5.053 1.00 0.00 H new ATOM 864 N THR A 62 -4.988 10.688 0.895 1.00 0.00 N ATOM 865 CA THR A 62 -4.491 10.095 -0.340 1.00 0.00 C ATOM 866 C THR A 62 -4.620 8.576 -0.312 1.00 0.00 C ATOM 867 O THR A 62 -4.998 7.957 -1.305 1.00 0.00 O ATOM 868 CB THR A 62 -3.017 10.469 -0.589 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.212 10.050 0.518 1.00 0.00 O ATOM 870 CG2 THR A 62 -2.867 11.968 -0.794 1.00 0.00 C ATOM 0 H THR A 62 -4.406 10.509 1.713 1.00 0.00 H new ATOM 0 HA THR A 62 -5.102 10.494 -1.150 1.00 0.00 H new ATOM 0 HB THR A 62 -2.683 9.960 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.277 10.290 0.352 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.818 12.208 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.458 12.278 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.217 12.494 0.094 1.00 0.00 H new ATOM 878 N GLY A 63 -4.305 7.981 0.835 1.00 0.00 N ATOM 879 CA GLY A 63 -4.393 6.539 0.971 1.00 0.00 C ATOM 880 C GLY A 63 -4.043 6.066 2.368 1.00 0.00 C ATOM 881 O GLY A 63 -4.183 6.813 3.337 1.00 0.00 O ATOM 0 H GLY A 63 -3.991 8.472 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.404 6.215 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.722 6.068 0.253 1.00 0.00 H new ATOM 885 N TYR A 64 -3.588 4.822 2.473 1.00 0.00 N ATOM 886 CA TYR A 64 -3.222 4.249 3.762 1.00 0.00 C ATOM 887 C TYR A 64 -2.013 3.328 3.625 1.00 0.00 C ATOM 888 O TYR A 64 -1.926 2.532 2.690 1.00 0.00 O ATOM 889 CB TYR A 64 -4.401 3.476 4.354 1.00 0.00 C ATOM 890 CG TYR A 64 -5.601 4.344 4.662 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.348 4.918 3.642 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.987 4.588 5.974 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.444 5.712 3.919 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.082 5.380 6.261 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.807 5.940 5.230 1.00 0.00 C ATOM 896 OH TYR A 64 -8.899 6.729 5.510 1.00 0.00 O ATOM 0 H TYR A 64 -3.464 4.192 1.681 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.959 5.067 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.699 2.693 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.077 2.981 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.067 4.741 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.421 4.151 6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.013 6.152 3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.369 5.560 7.287 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.719 6.204 5.398 1.00 0.00 H new ATOM 906 N LYS A 65 -1.081 3.442 4.566 1.00 0.00 N ATOM 907 CA LYS A 65 0.123 2.619 4.554 1.00 0.00 C ATOM 908 C LYS A 65 -0.065 1.367 5.404 1.00 0.00 C ATOM 909 O LYS A 65 -0.299 1.455 6.610 1.00 0.00 O ATOM 910 CB LYS A 65 1.319 3.423 5.067 1.00 0.00 C ATOM 911 CG LYS A 65 2.661 2.863 4.629 1.00 0.00 C ATOM 912 CD LYS A 65 3.788 3.850 4.888 1.00 0.00 C ATOM 913 CE LYS A 65 3.873 4.899 3.790 1.00 0.00 C ATOM 914 NZ LYS A 65 4.475 4.351 2.543 1.00 0.00 N ATOM 0 H LYS A 65 -1.137 4.096 5.346 1.00 0.00 H new ATOM 0 HA LYS A 65 0.314 2.312 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.232 4.451 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.285 3.454 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.860 1.934 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.626 2.620 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.631 4.340 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.735 3.314 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.875 5.280 3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.468 5.743 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.930 5.120 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.185 3.631 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.731 3.919 1.959 1.00 0.00 H new ATOM 928 N ILE A 66 0.040 0.205 4.770 1.00 0.00 N ATOM 929 CA ILE A 66 -0.115 -1.064 5.470 1.00 0.00 C ATOM 930 C ILE A 66 1.223 -1.781 5.612 1.00 0.00 C ATOM 931 O ILE A 66 1.784 -2.269 4.631 1.00 0.00 O ATOM 932 CB ILE A 66 -1.107 -1.991 4.742 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.467 -1.305 4.596 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.249 -3.308 5.490 1.00 0.00 C ATOM 935 CD1 ILE A 66 -3.234 -1.740 3.367 1.00 0.00 C ATOM 0 H ILE A 66 0.232 0.116 3.772 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.507 -0.832 6.460 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.719 -2.202 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.067 -1.514 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.318 -0.226 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.953 -3.952 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.279 -3.801 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.617 -3.116 6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.188 -1.214 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.654 -1.506 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.414 -2.814 3.412 1.00 0.00 H new ATOM 947 N ARG A 67 1.728 -1.842 6.840 1.00 0.00 N ATOM 948 CA ARG A 67 3.000 -2.500 7.111 1.00 0.00 C ATOM 949 C ARG A 67 2.780 -3.851 7.785 1.00 0.00 C ATOM 950 O ARG A 67 2.290 -3.922 8.913 1.00 0.00 O ATOM 951 CB ARG A 67 3.879 -1.614 7.995 1.00 0.00 C ATOM 952 CG ARG A 67 4.302 -0.316 7.327 1.00 0.00 C ATOM 953 CD ARG A 67 5.573 -0.497 6.513 1.00 0.00 C ATOM 954 NE ARG A 67 6.007 0.751 5.891 1.00 0.00 N ATOM 955 CZ ARG A 67 7.180 0.902 5.285 1.00 0.00 C ATOM 956 NH1 ARG A 67 8.031 -0.113 5.220 1.00 0.00 N ATOM 957 NH2 ARG A 67 7.503 2.069 4.743 1.00 0.00 N ATOM 0 H ARG A 67 1.275 -1.444 7.663 1.00 0.00 H new ATOM 0 HA ARG A 67 3.505 -2.666 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.339 -1.381 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.770 -2.172 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.501 0.039 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.461 0.450 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.366 -0.875 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.405 -1.248 5.741 1.00 0.00 H new ATOM 0 HE ARG A 67 5.375 1.551 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.786 -1.012 5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.931 0.005 4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.851 2.852 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.404 2.184 4.278 1.00 0.00 H new ATOM 971 N HIS A 68 3.146 -4.922 7.087 1.00 0.00 N ATOM 972 CA HIS A 68 2.988 -6.271 7.618 1.00 0.00 C ATOM 973 C HIS A 68 4.346 -6.936 7.822 1.00 0.00 C ATOM 974 O HIS A 68 5.292 -6.678 7.077 1.00 0.00 O ATOM 975 CB HIS A 68 2.130 -7.116 6.677 1.00 0.00 C ATOM 976 CG HIS A 68 2.906 -7.750 5.565 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.191 -7.103 4.381 1.00 0.00 N ATOM 978 CD2 HIS A 68 3.461 -8.981 5.461 1.00 0.00 C ATOM 979 CE1 HIS A 68 3.886 -7.908 3.597 1.00 0.00 C ATOM 980 NE2 HIS A 68 4.063 -9.054 4.230 1.00 0.00 N ATOM 0 H HIS A 68 3.554 -4.881 6.153 1.00 0.00 H new ATOM 0 HA HIS A 68 2.489 -6.198 8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.634 -7.897 7.254 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.347 -6.489 6.251 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.435 -9.760 6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.248 -7.670 2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.566 -9.862 3.863 1.00 0.00 H new ATOM 989 N ARG A 69 4.435 -7.792 8.834 1.00 0.00 N ATOM 990 CA ARG A 69 5.677 -8.493 9.137 1.00 0.00 C ATOM 991 C ARG A 69 5.442 -9.600 10.160 1.00 0.00 C ATOM 992 O ARG A 69 4.417 -9.623 10.842 1.00 0.00 O ATOM 993 CB ARG A 69 6.726 -7.511 9.664 1.00 0.00 C ATOM 994 CG ARG A 69 6.626 -7.259 11.159 1.00 0.00 C ATOM 995 CD ARG A 69 7.784 -6.409 11.659 1.00 0.00 C ATOM 996 NE ARG A 69 7.761 -6.252 13.111 1.00 0.00 N ATOM 997 CZ ARG A 69 8.233 -7.162 13.955 1.00 0.00 C ATOM 998 NH1 ARG A 69 8.762 -8.288 13.495 1.00 0.00 N ATOM 999 NH2 ARG A 69 8.177 -6.948 15.264 1.00 0.00 N ATOM 0 H ARG A 69 3.661 -8.017 9.459 1.00 0.00 H new ATOM 0 HA ARG A 69 6.043 -8.946 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.720 -7.896 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.622 -6.563 9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.683 -6.760 11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.616 -8.211 11.690 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.726 -6.868 11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.743 -5.427 11.188 1.00 0.00 H new ATOM 0 HE ARG A 69 7.361 -5.397 13.498 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.807 -8.457 12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.124 -8.985 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.771 -6.084 15.623 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.540 -7.648 15.911 1.00 0.00 H new ATOM 1013 N LYS A 70 6.397 -10.518 10.260 1.00 0.00 N ATOM 1014 CA LYS A 70 6.296 -11.629 11.200 1.00 0.00 C ATOM 1015 C LYS A 70 7.086 -11.339 12.472 1.00 0.00 C ATOM 1016 O LYS A 70 8.182 -10.778 12.421 1.00 0.00 O ATOM 1017 CB LYS A 70 6.806 -12.919 10.553 1.00 0.00 C ATOM 1018 CG LYS A 70 6.647 -14.145 11.435 1.00 0.00 C ATOM 1019 CD LYS A 70 6.880 -15.427 10.654 1.00 0.00 C ATOM 1020 CE LYS A 70 5.623 -15.868 9.919 1.00 0.00 C ATOM 1021 NZ LYS A 70 5.632 -17.330 9.633 1.00 0.00 N ATOM 0 H LYS A 70 7.250 -10.515 9.701 1.00 0.00 H new ATOM 0 HA LYS A 70 5.246 -11.753 11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.271 -13.083 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.859 -12.797 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.351 -14.091 12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.646 -14.157 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.688 -15.276 9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.201 -16.216 11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.746 -15.620 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.536 -15.315 8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.654 -17.680 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.106 -17.503 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.142 -17.829 10.390 1.00 0.00 H new ATOM 1133 N MET A 77 7.226 -4.944 5.296 1.00 0.00 N ATOM 1134 CA MET A 77 6.795 -4.863 3.906 1.00 0.00 C ATOM 1135 C MET A 77 5.720 -3.795 3.732 1.00 0.00 C ATOM 1136 O MET A 77 4.649 -3.876 4.333 1.00 0.00 O ATOM 1137 CB MET A 77 6.265 -6.218 3.434 1.00 0.00 C ATOM 1138 CG MET A 77 7.339 -7.121 2.849 1.00 0.00 C ATOM 1139 SD MET A 77 7.611 -6.827 1.091 1.00 0.00 S ATOM 1140 CE MET A 77 9.265 -6.140 1.115 1.00 0.00 C ATOM 0 HA MET A 77 7.658 -4.588 3.300 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.792 -6.727 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.491 -6.055 2.684 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.273 -6.965 3.388 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.054 -8.162 3.000 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.576 -5.906 0.097 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.272 -5.230 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.954 -6.866 1.547 1.00 0.00 H new ATOM 1150 N GLU A 78 6.013 -2.795 2.906 1.00 0.00 N ATOM 1151 CA GLU A 78 5.071 -1.711 2.655 1.00 0.00 C ATOM 1152 C GLU A 78 4.174 -2.034 1.464 1.00 0.00 C ATOM 1153 O GLU A 78 4.647 -2.486 0.420 1.00 0.00 O ATOM 1154 CB GLU A 78 5.821 -0.401 2.402 1.00 0.00 C ATOM 1155 CG GLU A 78 5.077 0.830 2.890 1.00 0.00 C ATOM 1156 CD GLU A 78 4.171 1.423 1.828 1.00 0.00 C ATOM 1157 OE1 GLU A 78 4.650 2.268 1.043 1.00 0.00 O ATOM 1158 OE2 GLU A 78 2.983 1.041 1.783 1.00 0.00 O ATOM 0 H GLU A 78 6.895 -2.713 2.400 1.00 0.00 H new ATOM 0 HA GLU A 78 4.444 -1.597 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.792 -0.447 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.010 -0.301 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.482 0.567 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.798 1.583 3.209 1.00 0.00 H new ATOM 1165 N THR A 79 2.876 -1.801 1.627 1.00 0.00 N ATOM 1166 CA THR A 79 1.912 -2.068 0.567 1.00 0.00 C ATOM 1167 C THR A 79 0.625 -1.280 0.782 1.00 0.00 C ATOM 1168 O THR A 79 -0.143 -1.565 1.702 1.00 0.00 O ATOM 1169 CB THR A 79 1.573 -3.569 0.481 1.00 0.00 C ATOM 1170 OG1 THR A 79 2.777 -4.337 0.373 1.00 0.00 O ATOM 1171 CG2 THR A 79 0.675 -3.853 -0.714 1.00 0.00 C ATOM 0 H THR A 79 2.468 -1.428 2.484 1.00 0.00 H new ATOM 0 HA THR A 79 2.376 -1.753 -0.368 1.00 0.00 H new ATOM 0 HB THR A 79 1.042 -3.852 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.502 -3.764 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.449 -4.919 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.252 -3.289 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.184 -3.555 -1.631 1.00 0.00 H new ATOM 1179 N LEU A 80 0.394 -0.289 -0.071 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.802 0.541 0.025 1.00 0.00 C ATOM 1181 C LEU A 80 -1.687 0.366 -1.205 1.00 0.00 C ATOM 1182 O LEU A 80 -1.191 0.248 -2.326 1.00 0.00 O ATOM 1183 CB LEU A 80 -0.414 2.012 0.183 1.00 0.00 C ATOM 1184 CG LEU A 80 0.433 2.608 -0.941 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -0.448 3.030 -2.107 1.00 0.00 C ATOM 1186 CD2 LEU A 80 1.245 3.788 -0.429 1.00 0.00 C ATOM 0 H LEU A 80 1.019 -0.040 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.365 0.224 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.327 2.600 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.131 2.124 1.120 1.00 0.00 H new ATOM 0 HG LEU A 80 1.125 1.843 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.172 3.452 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.984 2.162 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.164 3.779 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.842 4.200 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.571 4.556 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.905 3.455 0.372 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.998 0.352 -0.988 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.951 0.193 -2.080 1.00 0.00 C ATOM 1200 C GLU A 81 -4.977 1.323 -2.075 1.00 0.00 C ATOM 1201 O GLU A 81 -5.798 1.446 -1.166 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.663 -1.157 -1.973 1.00 0.00 C ATOM 1203 CG GLU A 81 -6.058 -1.159 -2.575 1.00 0.00 C ATOM 1204 CD GLU A 81 -6.465 -2.523 -3.099 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -6.153 -2.825 -4.270 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -7.096 -3.287 -2.339 1.00 0.00 O ATOM 0 H GLU A 81 -3.424 0.449 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.398 0.231 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.060 -1.916 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.729 -1.441 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.775 -0.835 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.100 -0.434 -3.388 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.929 2.169 -3.115 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.847 3.304 -3.255 1.00 0.00 C ATOM 1215 C PRO A 82 -7.275 2.861 -3.555 1.00 0.00 C ATOM 1216 O PRO A 82 -8.234 3.439 -3.045 1.00 0.00 O ATOM 1217 CB PRO A 82 -5.269 4.083 -4.439 1.00 0.00 C ATOM 1218 CG PRO A 82 -4.521 3.067 -5.232 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.977 2.082 -4.235 1.00 0.00 C ATOM 0 HA PRO A 82 -5.918 3.887 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.058 4.545 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.612 4.885 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.175 2.574 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.716 3.532 -5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.934 1.074 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.965 2.342 -3.924 1.00 0.00 H new ATOM 1227 N ASN A 83 -7.409 1.831 -4.385 1.00 0.00 N ATOM 1228 CA ASN A 83 -8.721 1.311 -4.752 1.00 0.00 C ATOM 1229 C ASN A 83 -9.682 1.376 -3.569 1.00 0.00 C ATOM 1230 O ASN A 83 -10.660 2.123 -3.591 1.00 0.00 O ATOM 1231 CB ASN A 83 -8.600 -0.131 -5.247 1.00 0.00 C ATOM 1232 CG ASN A 83 -7.880 -0.227 -6.578 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -8.464 0.025 -7.632 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -6.604 -0.594 -6.535 1.00 0.00 N ATOM 0 H ASN A 83 -6.625 1.340 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.119 1.931 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.066 -0.723 -4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.596 -0.564 -5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.068 -0.677 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.161 -0.793 -5.638 1.00 0.00 H new ATOM 1241 N ASN A 84 -9.396 0.590 -2.537 1.00 0.00 N ATOM 1242 CA ASN A 84 -10.235 0.557 -1.344 1.00 0.00 C ATOM 1243 C ASN A 84 -9.383 0.589 -0.079 1.00 0.00 C ATOM 1244 O ASN A 84 -8.157 0.686 -0.145 1.00 0.00 O ATOM 1245 CB ASN A 84 -11.116 -0.694 -1.349 1.00 0.00 C ATOM 1246 CG ASN A 84 -12.054 -0.736 -2.539 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -13.145 -0.167 -2.504 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -11.632 -1.413 -3.601 1.00 0.00 N ATOM 0 H ASN A 84 -8.589 -0.033 -2.502 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.872 1.441 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.483 -1.581 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.699 -0.728 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.220 -1.477 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.720 -1.869 -3.586 1.00 0.00 H new ATOM 1255 N LEU A 85 -10.041 0.506 1.072 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.345 0.524 2.354 1.00 0.00 C ATOM 1257 C LEU A 85 -9.133 -0.893 2.879 1.00 0.00 C ATOM 1258 O LEU A 85 -8.865 -1.092 4.064 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.135 1.345 3.374 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.673 2.689 2.882 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -11.813 3.165 3.769 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.560 3.726 2.838 1.00 0.00 C ATOM 0 H LEU A 85 -11.055 0.426 1.144 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.369 0.985 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.976 0.745 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.496 1.527 4.238 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.058 2.556 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.183 4.123 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.620 2.433 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.454 3.281 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.962 4.676 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.144 3.856 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.776 3.390 2.160 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.254 -1.871 1.990 1.00 0.00 N ATOM 1275 CA TRP A 86 -9.074 -3.270 2.363 1.00 0.00 C ATOM 1276 C TRP A 86 -8.059 -3.950 1.451 1.00 0.00 C ATOM 1277 O TRP A 86 -7.996 -3.665 0.255 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.410 -4.011 2.303 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.956 -4.140 0.913 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.801 -3.273 0.280 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.696 -5.199 -0.015 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -12.081 -3.730 -0.985 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.416 -4.909 -1.191 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.924 -6.363 0.032 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -11.385 -5.742 -2.306 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.896 -7.189 -1.075 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.621 -6.875 -2.232 1.00 0.00 C ATOM 0 H TRP A 86 -9.476 -1.722 1.006 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.695 -3.302 3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.285 -5.006 2.730 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.136 -3.486 2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.191 -2.363 0.711 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.687 -3.266 -1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.359 -6.612 0.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.944 -5.502 -3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -9.305 -8.093 -1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.576 -7.540 -3.082 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.268 -4.851 2.022 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.254 -5.571 1.260 1.00 0.00 C ATOM 1300 C TYR A 87 -6.208 -7.040 1.668 1.00 0.00 C ATOM 1301 O TYR A 87 -5.894 -7.370 2.813 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.881 -4.930 1.466 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.907 -5.214 0.345 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.559 -6.518 0.014 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -3.333 -4.178 -0.382 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.669 -6.782 -1.009 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.443 -4.433 -1.408 1.00 0.00 C ATOM 1308 CZ TYR A 87 -2.114 -5.736 -1.717 1.00 0.00 C ATOM 1309 OH TYR A 87 -1.227 -5.995 -2.737 1.00 0.00 O ATOM 0 H TYR A 87 -7.309 -5.101 3.010 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.520 -5.514 0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.004 -3.851 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.458 -5.290 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.992 -7.339 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.587 -3.156 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.409 -7.801 -1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.008 -3.616 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.930 -5.150 -3.134 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.522 -7.920 0.723 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.515 -9.355 0.981 1.00 0.00 C ATOM 1321 C LEU A 88 -5.173 -9.971 0.601 1.00 0.00 C ATOM 1322 O LEU A 88 -4.855 -10.114 -0.580 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.641 -10.038 0.203 1.00 0.00 C ATOM 1324 CG LEU A 88 -7.971 -11.472 0.619 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -6.709 -12.210 1.038 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.994 -11.479 1.745 1.00 0.00 C ATOM 0 H LEU A 88 -6.785 -7.664 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.674 -9.508 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.543 -9.435 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.376 -10.040 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.401 -11.989 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.963 -13.229 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.009 -12.236 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.249 -11.694 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.217 -12.508 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.591 -10.945 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.908 -10.989 1.409 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.388 -10.337 1.609 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.080 -10.939 1.381 1.00 0.00 C ATOM 1340 C PHE A 89 -3.205 -12.444 1.163 1.00 0.00 C ATOM 1341 O PHE A 89 -4.094 -13.093 1.716 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.152 -10.659 2.565 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.826 -9.204 2.739 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.738 -8.642 2.090 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.605 -8.397 3.553 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.435 -7.302 2.247 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -2.307 -7.058 3.714 1.00 0.00 C ATOM 1348 CZ PHE A 89 -1.220 -6.510 3.062 1.00 0.00 C ATOM 0 H PHE A 89 -4.635 -10.227 2.592 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.654 -10.493 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.618 -11.030 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.226 -11.217 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.119 -9.258 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.455 -8.820 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.414 -6.875 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.924 -6.440 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.984 -5.464 3.189 1.00 0.00 H new ATOM 1358 N THR A 90 -2.307 -12.995 0.351 1.00 0.00 N ATOM 1359 CA THR A 90 -2.317 -14.423 0.057 1.00 0.00 C ATOM 1360 C THR A 90 -0.901 -14.955 -0.128 1.00 0.00 C ATOM 1361 O THR A 90 -0.080 -14.340 -0.807 1.00 0.00 O ATOM 1362 CB THR A 90 -3.138 -14.730 -1.209 1.00 0.00 C ATOM 1363 OG1 THR A 90 -2.891 -13.734 -2.207 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.625 -14.779 -0.891 1.00 0.00 C ATOM 0 H THR A 90 -1.564 -12.474 -0.114 1.00 0.00 H new ATOM 0 HA THR A 90 -2.780 -14.919 0.910 1.00 0.00 H new ATOM 0 HB THR A 90 -2.831 -15.705 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.416 -13.938 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.185 -14.997 -1.801 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.814 -15.559 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.944 -13.816 -0.491 1.00 0.00 H new ATOM 1372 N GLY A 91 -0.621 -16.104 0.481 1.00 0.00 N ATOM 1373 CA GLY A 91 0.698 -16.700 0.370 1.00 0.00 C ATOM 1374 C GLY A 91 1.425 -16.750 1.699 1.00 0.00 C ATOM 1375 O GLY A 91 2.651 -16.647 1.749 1.00 0.00 O ATOM 0 H GLY A 91 -1.284 -16.632 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.604 -17.711 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.292 -16.130 -0.344 1.00 0.00 H new ATOM 1379 N LEU A 92 0.669 -16.906 2.780 1.00 0.00 N ATOM 1380 CA LEU A 92 1.249 -16.967 4.117 1.00 0.00 C ATOM 1381 C LEU A 92 1.441 -18.414 4.562 1.00 0.00 C ATOM 1382 O LEU A 92 1.126 -19.346 3.823 1.00 0.00 O ATOM 1383 CB LEU A 92 0.356 -16.229 5.116 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.343 -14.974 4.592 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.383 -14.486 5.589 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.673 -13.880 4.299 1.00 0.00 C ATOM 0 H LEU A 92 -0.347 -16.993 2.757 1.00 0.00 H new ATOM 0 HA LEU A 92 2.225 -16.483 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.405 -16.922 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.962 -15.950 5.978 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.852 -15.227 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.870 -13.592 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.128 -15.265 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.897 -14.250 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.157 -12.995 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.211 -13.629 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.379 -14.231 3.547 1.00 0.00 H new ATOM 1398 N GLU A 93 1.958 -18.591 5.774 1.00 0.00 N ATOM 1399 CA GLU A 93 2.190 -19.925 6.316 1.00 0.00 C ATOM 1400 C GLU A 93 1.069 -20.326 7.272 1.00 0.00 C ATOM 1401 O GLU A 93 0.192 -19.523 7.591 1.00 0.00 O ATOM 1402 CB GLU A 93 3.536 -19.977 7.041 1.00 0.00 C ATOM 1403 CG GLU A 93 4.709 -20.285 6.125 1.00 0.00 C ATOM 1404 CD GLU A 93 4.509 -21.559 5.329 1.00 0.00 C ATOM 1405 OE1 GLU A 93 4.616 -22.652 5.924 1.00 0.00 O ATOM 1406 OE2 GLU A 93 4.245 -21.464 4.112 1.00 0.00 O ATOM 0 H GLU A 93 2.224 -17.829 6.398 1.00 0.00 H new ATOM 0 HA GLU A 93 2.205 -20.630 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.711 -19.020 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.489 -20.734 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.857 -19.452 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.617 -20.372 6.721 1.00 0.00 H new ATOM 1413 N LYS A 94 1.105 -21.575 7.725 1.00 0.00 N ATOM 1414 CA LYS A 94 0.095 -22.085 8.644 1.00 0.00 C ATOM 1415 C LYS A 94 0.610 -22.074 10.080 1.00 0.00 C ATOM 1416 O LYS A 94 1.813 -21.968 10.317 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.313 -23.506 8.248 1.00 0.00 C ATOM 1418 CG LYS A 94 0.860 -24.390 7.861 1.00 0.00 C ATOM 1419 CD LYS A 94 0.586 -25.850 8.179 1.00 0.00 C ATOM 1420 CE LYS A 94 1.007 -26.201 9.597 1.00 0.00 C ATOM 1421 NZ LYS A 94 -0.093 -25.972 10.575 1.00 0.00 N ATOM 0 H LYS A 94 1.823 -22.253 7.470 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.777 -21.433 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.846 -23.967 9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.010 -23.455 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.063 -24.281 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.754 -24.063 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.476 -26.058 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.121 -26.484 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.316 -27.246 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.873 -25.602 9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.010 -26.653 11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.028 -25.004 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.010 -26.098 10.102 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.308 -22.184 11.034 1.00 0.00 N ATOM 1436 CA GLY A 95 0.073 -22.186 12.434 1.00 0.00 C ATOM 1437 C GLY A 95 1.246 -21.268 12.717 1.00 0.00 C ATOM 1438 O GLY A 95 2.282 -21.708 13.214 1.00 0.00 O ATOM 0 H GLY A 95 -1.310 -22.272 10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.779 -21.879 13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.329 -23.201 12.736 1.00 0.00 H new ATOM 1442 N SER A 96 1.083 -19.988 12.398 1.00 0.00 N ATOM 1443 CA SER A 96 2.138 -19.005 12.616 1.00 0.00 C ATOM 1444 C SER A 96 1.560 -17.691 13.132 1.00 0.00 C ATOM 1445 O SER A 96 0.342 -17.522 13.200 1.00 0.00 O ATOM 1446 CB SER A 96 2.912 -18.761 11.319 1.00 0.00 C ATOM 1447 OG SER A 96 3.989 -19.672 11.188 1.00 0.00 O ATOM 0 H SER A 96 0.230 -19.607 11.988 1.00 0.00 H new ATOM 0 HA SER A 96 2.819 -19.401 13.369 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.240 -18.862 10.467 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.292 -17.740 11.306 1.00 0.00 H new ATOM 0 HG SER A 96 3.645 -20.547 10.912 1.00 0.00 H new ATOM 1453 N GLN A 97 2.442 -16.765 13.493 1.00 0.00 N ATOM 1454 CA GLN A 97 2.019 -15.466 14.003 1.00 0.00 C ATOM 1455 C GLN A 97 2.448 -14.346 13.062 1.00 0.00 C ATOM 1456 O GLN A 97 3.587 -14.313 12.598 1.00 0.00 O ATOM 1457 CB GLN A 97 2.602 -15.228 15.397 1.00 0.00 C ATOM 1458 CG GLN A 97 2.259 -13.864 15.975 1.00 0.00 C ATOM 1459 CD GLN A 97 2.416 -13.813 17.482 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.308 -13.142 18.002 1.00 0.00 O ATOM 1461 NE2 GLN A 97 1.549 -14.524 18.193 1.00 0.00 N ATOM 0 H GLN A 97 3.453 -16.890 13.442 1.00 0.00 H new ATOM 0 HA GLN A 97 0.931 -15.465 14.067 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.236 -16.002 16.072 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.686 -15.332 15.351 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.901 -13.109 15.521 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.232 -13.610 15.712 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.825 -15.066 17.721 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.607 -14.528 19.211 1.00 0.00 H new ATOM 1470 N TYR A 98 1.527 -13.429 12.784 1.00 0.00 N ATOM 1471 CA TYR A 98 1.809 -12.308 11.895 1.00 0.00 C ATOM 1472 C TYR A 98 1.383 -10.988 12.531 1.00 0.00 C ATOM 1473 O TYR A 98 0.637 -10.970 13.510 1.00 0.00 O ATOM 1474 CB TYR A 98 1.092 -12.497 10.557 1.00 0.00 C ATOM 1475 CG TYR A 98 1.874 -13.325 9.563 1.00 0.00 C ATOM 1476 CD1 TYR A 98 2.254 -14.628 9.860 1.00 0.00 C ATOM 1477 CD2 TYR A 98 2.234 -12.804 8.326 1.00 0.00 C ATOM 1478 CE1 TYR A 98 2.969 -15.388 8.955 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.948 -13.557 7.414 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.313 -14.848 7.733 1.00 0.00 C ATOM 1481 OH TYR A 98 4.026 -15.601 6.828 1.00 0.00 O ATOM 0 H TYR A 98 0.579 -13.440 13.161 1.00 0.00 H new ATOM 0 HA TYR A 98 2.885 -12.277 11.722 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.128 -12.973 10.735 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.889 -11.519 10.122 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.986 -15.054 10.815 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.951 -11.793 8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.257 -16.399 9.203 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.219 -13.137 6.457 1.00 0.00 H new ATOM 0 HH TYR A 98 4.186 -15.074 6.018 1.00 0.00 H new ATOM 1491 N SER A 99 1.863 -9.885 11.966 1.00 0.00 N ATOM 1492 CA SER A 99 1.536 -8.559 12.479 1.00 0.00 C ATOM 1493 C SER A 99 1.267 -7.586 11.335 1.00 0.00 C ATOM 1494 O SER A 99 1.709 -7.799 10.206 1.00 0.00 O ATOM 1495 CB SER A 99 2.674 -8.033 13.355 1.00 0.00 C ATOM 1496 OG SER A 99 2.977 -8.943 14.398 1.00 0.00 O ATOM 0 H SER A 99 2.479 -9.883 11.153 1.00 0.00 H new ATOM 0 HA SER A 99 0.632 -8.642 13.082 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.561 -7.867 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.395 -7.069 13.779 1.00 0.00 H new ATOM 0 HG SER A 99 3.708 -8.584 14.943 1.00 0.00 H new ATOM 1502 N PHE A 100 0.539 -6.515 11.636 1.00 0.00 N ATOM 1503 CA PHE A 100 0.210 -5.508 10.634 1.00 0.00 C ATOM 1504 C PHE A 100 -0.002 -4.144 11.283 1.00 0.00 C ATOM 1505 O PHE A 100 0.050 -4.013 12.506 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.045 -5.918 9.862 1.00 0.00 C ATOM 1507 CG PHE A 100 -0.921 -7.250 9.178 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -0.986 -8.426 9.906 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -0.737 -7.325 7.807 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -0.872 -9.653 9.280 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -0.623 -8.549 7.175 1.00 0.00 C ATOM 1512 CZ PHE A 100 -0.689 -9.714 7.913 1.00 0.00 C ATOM 0 H PHE A 100 0.166 -6.323 12.566 1.00 0.00 H new ATOM 0 HA PHE A 100 1.048 -5.434 9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.890 -5.949 10.549 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.268 -5.155 9.116 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.127 -8.384 10.976 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.682 -6.417 7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.926 -10.563 9.859 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.482 -8.594 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.598 -10.671 7.422 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.239 -3.132 10.455 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.457 -1.777 10.949 1.00 0.00 C ATOM 1524 C GLN A 101 -1.057 -0.892 9.862 1.00 0.00 C ATOM 1525 O GLN A 101 -0.687 -0.991 8.691 1.00 0.00 O ATOM 1526 CB GLN A 101 0.859 -1.174 11.445 1.00 0.00 C ATOM 1527 CG GLN A 101 0.676 -0.122 12.527 1.00 0.00 C ATOM 1528 CD GLN A 101 1.960 0.620 12.842 1.00 0.00 C ATOM 1529 OE1 GLN A 101 2.519 1.308 11.988 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.435 0.484 14.075 1.00 0.00 N ATOM 0 H GLN A 101 -0.285 -3.224 9.440 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.161 -1.829 11.780 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.493 -1.973 11.830 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.386 -0.728 10.601 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -0.083 0.592 12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.305 -0.600 13.434 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.939 -0.096 14.751 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.296 0.960 14.345 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.986 -0.026 10.256 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.637 0.878 9.315 1.00 0.00 C ATOM 1541 C VAL A 102 -2.383 2.334 9.687 1.00 0.00 C ATOM 1542 O VAL A 102 -2.528 2.724 10.845 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.156 0.630 9.260 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.781 1.399 8.105 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.450 -0.858 9.141 1.00 0.00 C ATOM 0 H VAL A 102 -2.304 0.068 11.220 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.208 0.677 8.333 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.599 0.991 10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.855 1.212 8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.602 2.466 8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.335 1.071 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.528 -1.014 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.995 -1.247 8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.038 -1.381 10.004 1.00 0.00 H new ATOM 1555 N SER A 103 -2.005 3.135 8.696 1.00 0.00 N ATOM 1556 CA SER A 103 -1.727 4.549 8.919 1.00 0.00 C ATOM 1557 C SER A 103 -2.382 5.408 7.841 1.00 0.00 C ATOM 1558 O SER A 103 -2.264 5.125 6.650 1.00 0.00 O ATOM 1559 CB SER A 103 -0.218 4.798 8.938 1.00 0.00 C ATOM 1560 OG SER A 103 0.467 3.731 9.572 1.00 0.00 O ATOM 0 H SER A 103 -1.884 2.829 7.731 1.00 0.00 H new ATOM 0 HA SER A 103 -2.146 4.828 9.886 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.148 4.914 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.007 5.731 9.460 1.00 0.00 H new ATOM 0 HG SER A 103 1.430 3.913 9.570 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.074 6.459 8.270 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.746 7.360 7.343 1.00 0.00 C ATOM 1568 C ALA A 104 -2.754 8.318 6.692 1.00 0.00 C ATOM 1569 O ALA A 104 -2.095 9.103 7.374 1.00 0.00 O ATOM 1570 CB ALA A 104 -4.838 8.138 8.062 1.00 0.00 C ATOM 0 H ALA A 104 -3.183 6.707 9.253 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.201 6.759 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.332 8.807 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.569 7.442 8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.397 8.722 8.869 1.00 0.00 H new ATOM 1576 N MET A 105 -2.652 8.247 5.369 1.00 0.00 N ATOM 1577 CA MET A 105 -1.740 9.108 4.625 1.00 0.00 C ATOM 1578 C MET A 105 -2.461 10.352 4.115 1.00 0.00 C ATOM 1579 O MET A 105 -3.550 10.262 3.548 1.00 0.00 O ATOM 1580 CB MET A 105 -1.124 8.344 3.452 1.00 0.00 C ATOM 1581 CG MET A 105 0.176 7.638 3.802 1.00 0.00 C ATOM 1582 SD MET A 105 0.927 6.820 2.381 1.00 0.00 S ATOM 1583 CE MET A 105 -0.253 5.506 2.084 1.00 0.00 C ATOM 0 H MET A 105 -3.190 7.602 4.790 1.00 0.00 H new ATOM 0 HA MET A 105 -0.945 9.422 5.301 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.842 7.608 3.091 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.941 9.039 2.632 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.879 8.363 4.213 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.014 6.901 4.582 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.260 4.545 2.105 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.021 5.525 2.857 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.717 5.648 1.108 1.00 0.00 H new ATOM 1593 N THR A 106 -1.846 11.513 4.320 1.00 0.00 N ATOM 1594 CA THR A 106 -2.430 12.774 3.882 1.00 0.00 C ATOM 1595 C THR A 106 -1.684 13.337 2.678 1.00 0.00 C ATOM 1596 O THR A 106 -0.769 12.705 2.151 1.00 0.00 O ATOM 1597 CB THR A 106 -2.420 13.821 5.013 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.161 13.793 5.694 1.00 0.00 O ATOM 1599 CG2 THR A 106 -3.545 13.558 6.003 1.00 0.00 C ATOM 0 H THR A 106 -0.944 11.605 4.787 1.00 0.00 H new ATOM 0 HA THR A 106 -3.462 12.563 3.601 1.00 0.00 H new ATOM 0 HB THR A 106 -2.571 14.805 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.162 14.462 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.518 14.309 6.792 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.503 13.608 5.486 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.420 12.567 6.441 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.081 14.530 2.246 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.449 15.178 1.104 1.00 0.00 C ATOM 1609 C VAL A 107 0.027 15.451 1.374 1.00 0.00 C ATOM 1610 O VAL A 107 0.776 15.818 0.471 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.149 16.505 0.753 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -2.093 17.466 1.930 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -1.520 17.127 -0.485 1.00 0.00 C ATOM 0 H VAL A 107 -2.837 15.067 2.670 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.541 14.493 0.261 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.197 16.297 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.592 18.397 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.594 17.019 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.053 17.671 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.026 18.063 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.464 17.322 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.618 16.441 -1.327 1.00 0.00 H new ATOM 1623 N ASN A 108 0.436 15.270 2.626 1.00 0.00 N ATOM 1624 CA ASN A 108 1.823 15.497 3.016 1.00 0.00 C ATOM 1625 C ASN A 108 2.589 14.180 3.092 1.00 0.00 C ATOM 1626 O ASN A 108 3.493 13.929 2.297 1.00 0.00 O ATOM 1627 CB ASN A 108 1.883 16.213 4.367 1.00 0.00 C ATOM 1628 CG ASN A 108 3.220 16.888 4.604 1.00 0.00 C ATOM 1629 OD1 ASN A 108 4.011 16.448 5.439 1.00 0.00 O ATOM 1630 ND2 ASN A 108 3.479 17.963 3.868 1.00 0.00 N ATOM 0 H ASN A 108 -0.172 14.967 3.387 1.00 0.00 H new ATOM 0 HA ASN A 108 2.290 16.125 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 108 1.089 16.958 4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.695 15.494 5.165 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.363 18.459 3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 108 2.794 18.292 3.188 1.00 0.00 H new ATOM 1637 N GLY A 109 2.220 13.341 4.056 1.00 0.00 N ATOM 1638 CA GLY A 109 2.882 12.059 4.218 1.00 0.00 C ATOM 1639 C GLY A 109 2.074 11.092 5.060 1.00 0.00 C ATOM 1640 O GLY A 109 0.853 11.219 5.167 1.00 0.00 O ATOM 0 H GLY A 109 1.475 13.526 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.061 11.620 3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.857 12.213 4.681 1.00 0.00 H new ATOM 1644 N THR A 110 2.754 10.120 5.659 1.00 0.00 N ATOM 1645 CA THR A 110 2.092 9.125 6.493 1.00 0.00 C ATOM 1646 C THR A 110 1.971 9.608 7.934 1.00 0.00 C ATOM 1647 O THR A 110 2.957 10.015 8.547 1.00 0.00 O ATOM 1648 CB THR A 110 2.849 7.784 6.475 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.264 7.472 5.141 1.00 0.00 O ATOM 1650 CG2 THR A 110 1.975 6.662 7.015 1.00 0.00 C ATOM 0 H THR A 110 3.764 10.001 5.582 1.00 0.00 H new ATOM 0 HA THR A 110 1.095 8.977 6.077 1.00 0.00 H new ATOM 0 HB THR A 110 3.727 7.880 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.209 7.707 5.029 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.531 5.725 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.686 6.888 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.081 6.568 6.399 1.00 0.00 H new ATOM 1658 N GLY A 111 0.755 9.560 8.469 1.00 0.00 N ATOM 1659 CA GLY A 111 0.527 9.996 9.834 1.00 0.00 C ATOM 1660 C GLY A 111 1.144 9.057 10.853 1.00 0.00 C ATOM 1661 O GLY A 111 2.036 8.268 10.541 1.00 0.00 O ATOM 0 H GLY A 111 -0.077 9.227 7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.942 10.995 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.545 10.069 10.015 1.00 0.00 H new ATOM 1665 N PRO A 112 0.664 9.136 12.103 1.00 0.00 N ATOM 1666 CA PRO A 112 1.160 8.295 13.196 1.00 0.00 C ATOM 1667 C PRO A 112 0.759 6.833 13.030 1.00 0.00 C ATOM 1668 O PRO A 112 -0.392 6.510 12.736 1.00 0.00 O ATOM 1669 CB PRO A 112 0.494 8.895 14.436 1.00 0.00 C ATOM 1670 CG PRO A 112 -0.740 9.553 13.922 1.00 0.00 C ATOM 1671 CD PRO A 112 -0.400 10.053 12.545 1.00 0.00 C ATOM 0 HA PRO A 112 2.249 8.287 13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.256 8.125 15.169 1.00 0.00 H new ATOM 0 HB3 PRO A 112 1.149 9.613 14.929 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.572 8.849 13.887 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.044 10.374 14.571 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.263 10.018 11.880 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.056 11.087 12.566 1.00 0.00 H new ATOM 1679 N PRO A 113 1.729 5.927 13.223 1.00 0.00 N ATOM 1680 CA PRO A 113 1.500 4.484 13.101 1.00 0.00 C ATOM 1681 C PRO A 113 0.630 3.938 14.229 1.00 0.00 C ATOM 1682 O PRO A 113 0.972 4.061 15.405 1.00 0.00 O ATOM 1683 CB PRO A 113 2.910 3.893 13.180 1.00 0.00 C ATOM 1684 CG PRO A 113 3.701 4.901 13.940 1.00 0.00 C ATOM 1685 CD PRO A 113 3.124 6.241 13.576 1.00 0.00 C ATOM 0 HA PRO A 113 0.968 4.232 12.184 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.907 2.928 13.687 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.327 3.730 12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.630 4.724 15.013 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.757 4.847 13.677 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.180 6.942 14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.658 6.695 12.741 1.00 0.00 H new ATOM 1693 N SER A 114 -0.495 3.334 13.862 1.00 0.00 N ATOM 1694 CA SER A 114 -1.416 2.771 14.843 1.00 0.00 C ATOM 1695 C SER A 114 -0.777 1.596 15.576 1.00 0.00 C ATOM 1696 O SER A 114 0.364 1.225 15.302 1.00 0.00 O ATOM 1697 CB SER A 114 -2.709 2.319 14.160 1.00 0.00 C ATOM 1698 OG SER A 114 -2.448 1.335 13.175 1.00 0.00 O ATOM 0 H SER A 114 -0.791 3.222 12.892 1.00 0.00 H new ATOM 0 HA SER A 114 -1.651 3.547 15.572 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.397 1.919 14.905 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.200 3.177 13.701 1.00 0.00 H new ATOM 0 HG SER A 114 -2.443 1.753 12.289 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.522 1.014 16.510 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.029 -0.120 17.284 1.00 0.00 C ATOM 1706 C ASN A 115 -0.735 -1.311 16.378 1.00 0.00 C ATOM 1707 O ASN A 115 -1.521 -1.637 15.489 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.050 -0.517 18.352 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.510 0.666 19.182 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -1.747 1.600 19.427 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -3.764 0.631 19.618 1.00 0.00 N ATOM 0 H ASN A 115 -2.469 1.309 16.749 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.101 0.180 17.771 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.913 -0.978 17.872 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.611 -1.269 19.008 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.130 1.399 20.180 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.361 -0.164 19.390 1.00 0.00 H new ATOM 1718 N TRP A 116 0.402 -1.957 16.610 1.00 0.00 N ATOM 1719 CA TRP A 116 0.801 -3.113 15.815 1.00 0.00 C ATOM 1720 C TRP A 116 -0.038 -4.334 16.172 1.00 0.00 C ATOM 1721 O TRP A 116 0.268 -5.052 17.125 1.00 0.00 O ATOM 1722 CB TRP A 116 2.284 -3.417 16.028 1.00 0.00 C ATOM 1723 CG TRP A 116 3.188 -2.631 15.126 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.800 -1.445 15.412 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.578 -2.976 13.793 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.548 -1.031 14.336 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.429 -1.953 13.330 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.294 -4.050 12.945 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.995 -1.974 12.058 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.856 -4.070 11.683 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.699 -3.038 11.249 1.00 0.00 C ATOM 0 H TRP A 116 1.064 -1.700 17.342 1.00 0.00 H new ATOM 0 HA TRP A 116 0.634 -2.876 14.764 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.545 -3.207 17.065 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.456 -4.481 15.865 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.710 -0.911 16.346 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.102 -0.176 14.293 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.646 -4.851 13.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.644 -1.179 11.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.642 -4.895 11.020 1.00 0.00 H new ATOM 0 HH2 TRP A 116 5.123 -3.083 10.257 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.096 -4.566 15.403 1.00 0.00 N ATOM 1743 CA TYR A 117 -1.981 -5.700 15.641 1.00 0.00 C ATOM 1744 C TYR A 117 -1.339 -7.000 15.165 1.00 0.00 C ATOM 1745 O TYR A 117 -0.614 -7.021 14.170 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.318 -5.489 14.930 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.194 -4.445 15.586 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -4.003 -3.092 15.336 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.215 -4.813 16.454 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.800 -2.136 15.934 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -6.018 -3.864 17.055 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.807 -2.526 16.793 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.604 -1.577 17.389 1.00 0.00 O ATOM 0 H TYR A 117 -1.362 -3.983 14.609 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.156 -5.773 16.714 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.129 -5.196 13.897 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.857 -6.436 14.899 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.218 -2.782 14.662 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.383 -5.859 16.662 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.636 -1.088 15.730 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.807 -4.168 17.727 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.264 -2.018 17.963 1.00 0.00 H new ATOM 1763 N THR A 118 -1.612 -8.085 15.883 1.00 0.00 N ATOM 1764 CA THR A 118 -1.062 -9.389 15.537 1.00 0.00 C ATOM 1765 C THR A 118 -2.172 -10.393 15.245 1.00 0.00 C ATOM 1766 O THR A 118 -3.158 -10.473 15.976 1.00 0.00 O ATOM 1767 CB THR A 118 -0.170 -9.941 16.665 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.897 -9.026 16.937 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.402 -11.299 16.287 1.00 0.00 C ATOM 0 H THR A 118 -2.211 -8.086 16.708 1.00 0.00 H new ATOM 0 HA THR A 118 -0.456 -9.249 14.642 1.00 0.00 H new ATOM 0 HB THR A 118 -0.783 -10.059 17.559 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.514 -9.008 16.176 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.028 -11.669 17.099 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.413 -12.000 16.109 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.001 -11.202 15.382 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.003 -11.159 14.171 1.00 0.00 N ATOM 1778 CA ALA A 119 -2.989 -12.160 13.784 1.00 0.00 C ATOM 1779 C ALA A 119 -2.348 -13.536 13.643 1.00 0.00 C ATOM 1780 O ALA A 119 -1.309 -13.684 13.001 1.00 0.00 O ATOM 1781 CB ALA A 119 -3.669 -11.757 12.484 1.00 0.00 C ATOM 0 H ALA A 119 -1.192 -11.105 13.554 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.740 -12.217 14.572 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.403 -12.514 12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.170 -10.798 12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.922 -11.670 11.695 1.00 0.00 H new ATOM 1787 N GLU A 120 -2.974 -14.541 14.248 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.462 -15.905 14.191 1.00 0.00 C ATOM 1789 C GLU A 120 -3.282 -16.753 13.223 1.00 0.00 C ATOM 1790 O GLU A 120 -4.490 -16.921 13.395 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.480 -16.540 15.583 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.237 -16.240 16.404 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.085 -17.171 17.592 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -2.118 -17.614 18.136 1.00 0.00 O ATOM 1795 OE2 GLU A 120 0.068 -17.456 17.977 1.00 0.00 O ATOM 0 H GLU A 120 -3.836 -14.436 14.783 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.434 -15.865 13.832 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.357 -16.185 16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.585 -17.620 15.479 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.356 -16.323 15.767 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.279 -15.210 16.757 1.00 0.00 H new ATOM 1802 N THR A 121 -2.617 -17.286 12.202 1.00 0.00 N ATOM 1803 CA THR A 121 -3.282 -18.116 11.206 1.00 0.00 C ATOM 1804 C THR A 121 -3.696 -19.459 11.795 1.00 0.00 C ATOM 1805 O THR A 121 -2.999 -20.039 12.628 1.00 0.00 O ATOM 1806 CB THR A 121 -2.377 -18.361 9.984 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.374 -19.332 10.304 1.00 0.00 O ATOM 1808 CG2 THR A 121 -1.713 -17.068 9.534 1.00 0.00 C ATOM 0 H THR A 121 -1.618 -17.157 12.044 1.00 0.00 H new ATOM 0 HA THR A 121 -4.172 -17.573 10.887 1.00 0.00 H new ATOM 0 HB THR A 121 -2.997 -18.735 9.169 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.796 -19.474 9.525 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.079 -17.266 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 121 -2.479 -16.341 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.105 -16.669 10.346 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.856 -19.968 11.354 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.387 -21.250 11.824 1.00 0.00 C ATOM 1818 C PRO A 122 -4.566 -22.435 11.328 1.00 0.00 C ATOM 1819 O PRO A 122 -4.412 -22.634 10.124 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.797 -21.290 11.229 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.725 -20.414 10.026 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.737 -19.331 10.362 1.00 0.00 C ATOM 0 HA PRO A 122 -5.366 -21.325 12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.085 -22.307 10.962 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.538 -20.925 11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.403 -20.978 9.151 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.702 -19.992 9.791 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.182 -19.006 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.231 -18.449 10.771 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.041 -23.220 12.265 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.235 -24.385 11.921 1.00 0.00 C ATOM 1832 C GLU A 123 -3.939 -25.244 10.874 1.00 0.00 C ATOM 1833 O GLU A 123 -3.294 -25.913 10.069 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.945 -25.219 13.170 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.058 -24.513 14.181 1.00 0.00 C ATOM 1836 CD GLU A 123 -2.840 -23.602 15.108 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -3.623 -24.121 15.930 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -2.668 -22.368 15.010 1.00 0.00 O ATOM 0 H GLU A 123 -4.160 -23.070 13.267 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.293 -24.032 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.889 -25.482 13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.469 -26.153 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.525 -25.257 14.773 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.305 -23.928 13.652 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.268 -25.220 10.895 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.061 -25.997 9.949 1.00 0.00 C ATOM 1847 C ASN A 124 -6.771 -25.083 8.954 1.00 0.00 C ATOM 1848 O ASN A 124 -6.890 -25.409 7.774 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.087 -26.853 10.694 1.00 0.00 C ATOM 1850 CG ASN A 124 -6.436 -27.858 11.625 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -5.806 -28.817 11.178 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -6.584 -27.641 12.927 1.00 0.00 N ATOM 0 H ASN A 124 -5.818 -24.671 11.556 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.385 -26.650 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -7.748 -26.204 11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.709 -27.381 9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -6.167 -28.282 13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -7.115 -26.833 13.252 1.00 0.00 H new