USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 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 115 ASN : amide:sc= -0.0136 K(o=-0.014,f=-0.79) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.836 K(o=-1.4,f=-4.8) USER MOD Set 2.2: A 106 THR OG1 : rot -59:sc= -0.584 USER MOD Set 3.1: A 99 SER OG : rot 180:sc= 0.418 USER MOD Set 3.2: A 118 THR OG1 : rot -69:sc= 0.449 USER MOD Set 4.1: A 68 HIS : no HD1:sc= -0.217 K(o=0.76,f=0.0029) USER MOD Set 4.2: A 79 THR OG1 : rot -10:sc= 0.975 USER MOD Set 5.1: A 41 ASN : amide:sc= -3.99! C(o=-4.4!,f=-4.6!) USER MOD Set 5.2: A 44 SER OG : rot 180:sc= -0.364 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.011) USER MOD Single : A 34 ASN : amide:sc= -1.67! C(o=-1.7!,f=-1.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0436) 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 -52:sc= 0.011 USER MOD Single : A 57 GLN : amide:sc= -0.0507 K(o=-0.051,f=-0.68) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -2:sc= -0.977 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 83 ASN : amide:sc= -3.75! C(o=-3.8!,f=-7!) USER MOD Single : A 84 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.14) 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 21:sc= 0.264 USER MOD Single : A 97 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.53) USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -5.08 X(o=-5.1,f=-5.5!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.299 USER MOD Single : A 105 MET CE :methyl -139:sc= -7.1! (180deg=-11.6!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -122:sc= 1.07 USER MOD Single : A 121 THR OG1 : rot 175:sc= 0.469 USER MOD Single : A 124 ASN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 1.169 17.315 9.121 1.00 0.00 N ATOM 340 CA VAL A 27 0.717 15.931 9.055 1.00 0.00 C ATOM 341 C VAL A 27 -0.427 15.678 10.031 1.00 0.00 C ATOM 342 O VAL A 27 -0.602 16.392 11.019 1.00 0.00 O ATOM 343 CB VAL A 27 1.865 14.951 9.362 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.674 14.666 8.106 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.755 15.502 10.466 1.00 0.00 C ATOM 0 HA VAL A 27 0.366 15.761 8.037 1.00 0.00 H new ATOM 0 HB VAL A 27 1.435 14.012 9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.480 13.972 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.026 14.225 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.096 15.596 7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.561 14.797 10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.179 16.455 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.164 15.649 11.370 1.00 0.00 H new ATOM 355 N PRO A 28 -1.225 14.638 9.751 1.00 0.00 N ATOM 356 CA PRO A 28 -2.366 14.266 10.593 1.00 0.00 C ATOM 357 C PRO A 28 -1.931 13.696 11.939 1.00 0.00 C ATOM 358 O PRO A 28 -0.971 12.929 12.019 1.00 0.00 O ATOM 359 CB PRO A 28 -3.083 13.196 9.766 1.00 0.00 C ATOM 360 CG PRO A 28 -2.023 12.617 8.895 1.00 0.00 C ATOM 361 CD PRO A 28 -1.075 13.743 8.591 1.00 0.00 C ATOM 0 HA PRO A 28 -2.991 15.126 10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.529 12.435 10.406 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.890 13.628 9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.508 11.799 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.450 12.209 7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.050 13.388 8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.334 14.246 7.659 1.00 0.00 H new ATOM 369 N SER A 29 -2.644 14.074 12.995 1.00 0.00 N ATOM 370 CA SER A 29 -2.330 13.603 14.339 1.00 0.00 C ATOM 371 C SER A 29 -3.445 12.712 14.877 1.00 0.00 C ATOM 372 O SER A 29 -3.843 12.829 16.036 1.00 0.00 O ATOM 373 CB SER A 29 -2.110 14.789 15.280 1.00 0.00 C ATOM 374 OG SER A 29 -1.144 15.684 14.755 1.00 0.00 O ATOM 0 H SER A 29 -3.444 14.705 12.946 1.00 0.00 H new ATOM 0 HA SER A 29 -1.413 13.016 14.286 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.052 15.315 15.434 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.784 14.428 16.255 1.00 0.00 H new ATOM 0 HG SER A 29 -1.023 16.434 15.374 1.00 0.00 H new ATOM 380 N ALA A 30 -3.946 11.823 14.026 1.00 0.00 N ATOM 381 CA ALA A 30 -5.014 10.910 14.416 1.00 0.00 C ATOM 382 C ALA A 30 -4.918 9.594 13.652 1.00 0.00 C ATOM 383 O ALA A 30 -4.949 9.559 12.421 1.00 0.00 O ATOM 384 CB ALA A 30 -6.372 11.558 14.186 1.00 0.00 C ATOM 0 H ALA A 30 -3.630 11.715 13.062 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.902 10.692 15.478 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.160 10.866 14.481 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.446 12.468 14.781 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.483 11.805 13.130 1.00 0.00 H new ATOM 390 N PRO A 31 -4.797 8.485 14.396 1.00 0.00 N ATOM 391 CA PRO A 31 -4.694 7.145 13.808 1.00 0.00 C ATOM 392 C PRO A 31 -6.000 6.691 13.167 1.00 0.00 C ATOM 393 O PRO A 31 -7.076 7.218 13.452 1.00 0.00 O ATOM 394 CB PRO A 31 -4.350 6.258 15.007 1.00 0.00 C ATOM 395 CG PRO A 31 -4.891 6.989 16.187 1.00 0.00 C ATOM 396 CD PRO A 31 -4.753 8.452 15.867 1.00 0.00 C ATOM 0 HA PRO A 31 -3.957 7.107 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.802 5.271 14.912 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.274 6.109 15.093 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.933 6.725 16.365 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.339 6.734 17.091 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.561 9.037 16.306 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.818 8.861 16.250 1.00 0.00 H new ATOM 404 N PRO A 32 -5.908 5.690 12.279 1.00 0.00 N ATOM 405 CA PRO A 32 -7.074 5.143 11.579 1.00 0.00 C ATOM 406 C PRO A 32 -7.995 4.362 12.510 1.00 0.00 C ATOM 407 O PRO A 32 -7.533 3.677 13.422 1.00 0.00 O ATOM 408 CB PRO A 32 -6.455 4.211 10.534 1.00 0.00 C ATOM 409 CG PRO A 32 -5.135 3.824 11.106 1.00 0.00 C ATOM 410 CD PRO A 32 -4.658 5.016 11.890 1.00 0.00 C ATOM 0 HA PRO A 32 -7.699 5.928 11.153 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.083 3.337 10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.338 4.714 9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.229 2.948 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.428 3.567 10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.075 4.717 12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.022 5.665 11.288 1.00 0.00 H new ATOM 418 N GLN A 33 -9.298 4.470 12.273 1.00 0.00 N ATOM 419 CA GLN A 33 -10.283 3.773 13.092 1.00 0.00 C ATOM 420 C GLN A 33 -10.689 2.452 12.448 1.00 0.00 C ATOM 421 O GLN A 33 -10.492 2.247 11.251 1.00 0.00 O ATOM 422 CB GLN A 33 -11.517 4.653 13.300 1.00 0.00 C ATOM 423 CG GLN A 33 -11.232 5.927 14.078 1.00 0.00 C ATOM 424 CD GLN A 33 -12.459 6.804 14.232 1.00 0.00 C ATOM 425 OE1 GLN A 33 -13.196 6.693 15.212 1.00 0.00 O ATOM 426 NE2 GLN A 33 -12.684 7.683 13.262 1.00 0.00 N ATOM 0 H GLN A 33 -9.696 5.033 11.521 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.829 3.560 14.060 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.933 4.917 12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.278 4.078 13.827 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.850 5.667 15.065 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.449 6.490 13.571 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.046 7.740 12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.494 8.301 13.311 1.00 0.00 H new ATOM 435 N ASN A 34 -11.256 1.558 13.252 1.00 0.00 N ATOM 436 CA ASN A 34 -11.689 0.254 12.761 1.00 0.00 C ATOM 437 C ASN A 34 -10.509 -0.537 12.206 1.00 0.00 C ATOM 438 O ASN A 34 -10.535 -0.993 11.063 1.00 0.00 O ATOM 439 CB ASN A 34 -12.758 0.423 11.679 1.00 0.00 C ATOM 440 CG ASN A 34 -14.155 0.525 12.258 1.00 0.00 C ATOM 441 OD1 ASN A 34 -14.394 1.274 13.205 1.00 0.00 O ATOM 442 ND2 ASN A 34 -15.088 -0.231 11.690 1.00 0.00 N ATOM 0 H ASN A 34 -11.426 1.712 14.246 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.113 -0.300 13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.543 1.319 11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.713 -0.422 10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.047 -0.205 12.037 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.846 -0.838 10.907 1.00 0.00 H new ATOM 449 N VAL A 35 -9.474 -0.698 13.025 1.00 0.00 N ATOM 450 CA VAL A 35 -8.284 -1.436 12.618 1.00 0.00 C ATOM 451 C VAL A 35 -8.232 -2.806 13.284 1.00 0.00 C ATOM 452 O VAL A 35 -7.555 -2.990 14.296 1.00 0.00 O ATOM 453 CB VAL A 35 -6.998 -0.661 12.961 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.768 -1.495 12.634 1.00 0.00 C ATOM 455 CG2 VAL A 35 -6.963 0.668 12.221 1.00 0.00 C ATOM 0 H VAL A 35 -9.436 -0.327 13.974 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.345 -1.563 11.537 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.994 -0.455 14.031 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.869 -0.931 12.883 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.790 -2.418 13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.763 -1.735 11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.047 1.202 12.475 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.991 0.487 11.146 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.826 1.268 12.510 1.00 0.00 H new ATOM 465 N SER A 36 -8.951 -3.765 12.710 1.00 0.00 N ATOM 466 CA SER A 36 -8.990 -5.119 13.251 1.00 0.00 C ATOM 467 C SER A 36 -8.572 -6.137 12.195 1.00 0.00 C ATOM 468 O SER A 36 -8.676 -5.883 10.994 1.00 0.00 O ATOM 469 CB SER A 36 -10.394 -5.445 13.764 1.00 0.00 C ATOM 470 OG SER A 36 -10.589 -4.941 15.073 1.00 0.00 O ATOM 0 H SER A 36 -9.514 -3.630 11.871 1.00 0.00 H new ATOM 0 HA SER A 36 -8.286 -5.173 14.082 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.138 -5.018 13.092 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.544 -6.525 13.761 1.00 0.00 H new ATOM 0 HG SER A 36 -11.494 -5.161 15.377 1.00 0.00 H new ATOM 476 N LEU A 37 -8.099 -7.292 12.650 1.00 0.00 N ATOM 477 CA LEU A 37 -7.665 -8.351 11.746 1.00 0.00 C ATOM 478 C LEU A 37 -8.692 -9.478 11.694 1.00 0.00 C ATOM 479 O LEU A 37 -9.202 -9.913 12.725 1.00 0.00 O ATOM 480 CB LEU A 37 -6.309 -8.902 12.189 1.00 0.00 C ATOM 481 CG LEU A 37 -5.166 -7.889 12.269 1.00 0.00 C ATOM 482 CD1 LEU A 37 -4.046 -8.416 13.152 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.643 -7.564 10.878 1.00 0.00 C ATOM 0 H LEU A 37 -8.006 -7.519 13.640 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.569 -7.925 10.747 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.429 -9.362 13.170 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.018 -9.694 11.499 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.550 -6.971 12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.242 -7.682 13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.429 -8.597 14.156 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.663 -9.348 12.737 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.830 -6.842 10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.276 -8.475 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.448 -7.142 10.276 1.00 0.00 H new ATOM 495 N GLU A 38 -8.988 -9.946 10.485 1.00 0.00 N ATOM 496 CA GLU A 38 -9.953 -11.024 10.300 1.00 0.00 C ATOM 497 C GLU A 38 -9.334 -12.181 9.523 1.00 0.00 C ATOM 498 O GLU A 38 -9.133 -12.094 8.311 1.00 0.00 O ATOM 499 CB GLU A 38 -11.193 -10.507 9.566 1.00 0.00 C ATOM 500 CG GLU A 38 -12.465 -11.262 9.914 1.00 0.00 C ATOM 501 CD GLU A 38 -13.680 -10.725 9.183 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.906 -9.498 9.228 1.00 0.00 O ATOM 503 OE2 GLU A 38 -14.405 -11.533 8.565 1.00 0.00 O ATOM 0 H GLU A 38 -8.574 -9.596 9.621 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.247 -11.387 11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.331 -9.452 9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.023 -10.574 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.336 -12.316 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.636 -11.202 10.989 1.00 0.00 H new ATOM 510 N VAL A 39 -9.033 -13.267 10.229 1.00 0.00 N ATOM 511 CA VAL A 39 -8.436 -14.443 9.607 1.00 0.00 C ATOM 512 C VAL A 39 -9.410 -15.106 8.640 1.00 0.00 C ATOM 513 O VAL A 39 -10.289 -15.864 9.049 1.00 0.00 O ATOM 514 CB VAL A 39 -7.996 -15.474 10.663 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.413 -16.709 9.993 1.00 0.00 C ATOM 516 CG2 VAL A 39 -6.994 -14.856 11.626 1.00 0.00 C ATOM 0 H VAL A 39 -9.193 -13.356 11.232 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.559 -14.100 9.058 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.872 -15.780 11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.108 -17.426 10.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.166 -17.163 9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.547 -16.424 9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.694 -15.599 12.365 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.117 -14.520 11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.452 -14.006 12.131 1.00 0.00 H new ATOM 526 N VAL A 40 -9.248 -14.815 7.353 1.00 0.00 N ATOM 527 CA VAL A 40 -10.112 -15.385 6.325 1.00 0.00 C ATOM 528 C VAL A 40 -9.870 -16.882 6.173 1.00 0.00 C ATOM 529 O VAL A 40 -10.810 -17.677 6.182 1.00 0.00 O ATOM 530 CB VAL A 40 -9.892 -14.699 4.964 1.00 0.00 C ATOM 531 CG1 VAL A 40 -10.857 -15.251 3.926 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.044 -13.191 5.096 1.00 0.00 C ATOM 0 H VAL A 40 -8.527 -14.188 6.997 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.140 -15.217 6.646 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.876 -14.911 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.687 -14.755 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.695 -16.323 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.882 -15.072 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.885 -12.723 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.047 -12.956 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.309 -12.812 5.806 1.00 0.00 H new ATOM 542 N ASN A 41 -8.604 -17.261 6.032 1.00 0.00 N ATOM 543 CA ASN A 41 -8.239 -18.664 5.877 1.00 0.00 C ATOM 544 C ASN A 41 -6.802 -18.905 6.331 1.00 0.00 C ATOM 545 O ASN A 41 -6.140 -18.000 6.839 1.00 0.00 O ATOM 546 CB ASN A 41 -8.405 -19.098 4.419 1.00 0.00 C ATOM 547 CG ASN A 41 -9.841 -18.992 3.945 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.753 -19.544 4.562 1.00 0.00 O ATOM 549 ND2 ASN A 41 -10.049 -18.282 2.842 1.00 0.00 N ATOM 0 H ASN A 41 -7.814 -16.616 6.022 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.904 -19.258 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.769 -18.481 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.063 -20.127 4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.994 -18.177 2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.263 -17.842 2.363 1.00 0.00 H new ATOM 556 N SER A 42 -6.326 -20.132 6.143 1.00 0.00 N ATOM 557 CA SER A 42 -4.969 -20.494 6.536 1.00 0.00 C ATOM 558 C SER A 42 -3.942 -19.722 5.713 1.00 0.00 C ATOM 559 O SER A 42 -2.875 -19.362 6.212 1.00 0.00 O ATOM 560 CB SER A 42 -4.750 -21.998 6.364 1.00 0.00 C ATOM 561 OG SER A 42 -4.734 -22.358 4.993 1.00 0.00 O ATOM 0 H SER A 42 -6.860 -20.892 5.721 1.00 0.00 H new ATOM 0 HA SER A 42 -4.839 -20.233 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.808 -22.287 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.541 -22.545 6.878 1.00 0.00 H new ATOM 0 HG SER A 42 -4.591 -23.324 4.910 1.00 0.00 H new ATOM 567 N ARG A 43 -4.271 -19.471 4.451 1.00 0.00 N ATOM 568 CA ARG A 43 -3.377 -18.743 3.558 1.00 0.00 C ATOM 569 C ARG A 43 -4.034 -17.458 3.061 1.00 0.00 C ATOM 570 O ARG A 43 -3.776 -17.009 1.944 1.00 0.00 O ATOM 571 CB ARG A 43 -2.984 -19.620 2.368 1.00 0.00 C ATOM 572 CG ARG A 43 -4.173 -20.152 1.584 1.00 0.00 C ATOM 573 CD ARG A 43 -3.763 -20.613 0.194 1.00 0.00 C ATOM 574 NE ARG A 43 -4.865 -21.257 -0.516 1.00 0.00 N ATOM 575 CZ ARG A 43 -4.815 -21.593 -1.800 1.00 0.00 C ATOM 576 NH1 ARG A 43 -3.723 -21.347 -2.511 1.00 0.00 N ATOM 577 NH2 ARG A 43 -5.858 -22.177 -2.376 1.00 0.00 N ATOM 0 H ARG A 43 -5.150 -19.761 4.023 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.480 -18.480 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.346 -19.044 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.391 -20.461 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.625 -20.983 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.933 -19.375 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.411 -19.758 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.928 -21.309 0.274 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.720 -21.460 0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.919 -20.899 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.687 -21.606 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.700 -22.368 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.818 -22.434 -3.362 1.00 0.00 H new ATOM 591 N SER A 44 -4.883 -16.871 3.899 1.00 0.00 N ATOM 592 CA SER A 44 -5.580 -15.641 3.543 1.00 0.00 C ATOM 593 C SER A 44 -5.975 -14.860 4.793 1.00 0.00 C ATOM 594 O SER A 44 -6.411 -15.440 5.788 1.00 0.00 O ATOM 595 CB SER A 44 -6.823 -15.956 2.710 1.00 0.00 C ATOM 596 OG SER A 44 -6.579 -17.025 1.813 1.00 0.00 O ATOM 0 H SER A 44 -5.104 -17.227 4.829 1.00 0.00 H new ATOM 0 HA SER A 44 -4.902 -15.027 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.651 -16.213 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.124 -15.070 2.151 1.00 0.00 H new ATOM 0 HG SER A 44 -7.390 -17.208 1.293 1.00 0.00 H new ATOM 602 N ILE A 45 -5.819 -13.542 4.733 1.00 0.00 N ATOM 603 CA ILE A 45 -6.161 -12.681 5.859 1.00 0.00 C ATOM 604 C ILE A 45 -6.776 -11.370 5.382 1.00 0.00 C ATOM 605 O ILE A 45 -6.187 -10.654 4.571 1.00 0.00 O ATOM 606 CB ILE A 45 -4.926 -12.371 6.725 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.363 -13.659 7.329 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.284 -11.378 7.821 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.011 -13.479 7.984 1.00 0.00 C ATOM 0 H ILE A 45 -5.458 -13.047 3.917 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.890 -13.223 6.461 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.160 -11.924 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.067 -14.043 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.281 -14.412 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.401 -11.169 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.643 -10.453 7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.065 -11.800 8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.674 -14.433 8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.293 -13.125 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.091 -12.749 8.790 1.00 0.00 H new ATOM 621 N LYS A 46 -7.963 -11.059 5.891 1.00 0.00 N ATOM 622 CA LYS A 46 -8.658 -9.832 5.520 1.00 0.00 C ATOM 623 C LYS A 46 -8.300 -8.695 6.472 1.00 0.00 C ATOM 624 O LYS A 46 -8.328 -8.861 7.691 1.00 0.00 O ATOM 625 CB LYS A 46 -10.172 -10.058 5.524 1.00 0.00 C ATOM 626 CG LYS A 46 -10.976 -8.793 5.277 1.00 0.00 C ATOM 627 CD LYS A 46 -11.016 -8.438 3.800 1.00 0.00 C ATOM 628 CE LYS A 46 -12.260 -7.634 3.454 1.00 0.00 C ATOM 629 NZ LYS A 46 -12.256 -6.296 4.106 1.00 0.00 N ATOM 0 H LYS A 46 -8.464 -11.640 6.562 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.341 -9.554 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.423 -10.793 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.465 -10.483 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.992 -8.928 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.539 -7.967 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.127 -7.865 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.994 -9.351 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.323 -7.511 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.147 -8.186 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.048 -5.729 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.358 -6.411 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.359 -5.812 3.899 1.00 0.00 H new ATOM 643 N VAL A 47 -7.965 -7.540 5.907 1.00 0.00 N ATOM 644 CA VAL A 47 -7.604 -6.374 6.705 1.00 0.00 C ATOM 645 C VAL A 47 -8.277 -5.114 6.173 1.00 0.00 C ATOM 646 O VAL A 47 -8.045 -4.709 5.034 1.00 0.00 O ATOM 647 CB VAL A 47 -6.079 -6.160 6.727 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.730 -4.893 7.493 1.00 0.00 C ATOM 649 CG2 VAL A 47 -5.380 -7.368 7.332 1.00 0.00 C ATOM 0 H VAL A 47 -7.936 -7.386 4.899 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.951 -6.565 7.721 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.730 -6.044 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.648 -4.757 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.201 -4.036 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.090 -4.977 8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.303 -7.199 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.731 -7.518 8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.604 -8.254 6.738 1.00 0.00 H new ATOM 659 N SER A 48 -9.109 -4.497 7.005 1.00 0.00 N ATOM 660 CA SER A 48 -9.819 -3.284 6.617 1.00 0.00 C ATOM 661 C SER A 48 -9.521 -2.146 7.590 1.00 0.00 C ATOM 662 O SER A 48 -8.938 -2.361 8.652 1.00 0.00 O ATOM 663 CB SER A 48 -11.325 -3.543 6.563 1.00 0.00 C ATOM 664 OG SER A 48 -11.989 -2.541 5.812 1.00 0.00 O ATOM 0 H SER A 48 -9.308 -4.817 7.953 1.00 0.00 H new ATOM 0 HA SER A 48 -9.473 -2.992 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.513 -4.520 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.729 -3.571 7.575 1.00 0.00 H new ATOM 0 HG SER A 48 -12.950 -2.731 5.791 1.00 0.00 H new ATOM 670 N TRP A 49 -9.926 -0.938 7.218 1.00 0.00 N ATOM 671 CA TRP A 49 -9.703 0.235 8.056 1.00 0.00 C ATOM 672 C TRP A 49 -10.576 1.400 7.605 1.00 0.00 C ATOM 673 O TRP A 49 -11.116 1.393 6.498 1.00 0.00 O ATOM 674 CB TRP A 49 -8.229 0.641 8.019 1.00 0.00 C ATOM 675 CG TRP A 49 -7.721 0.908 6.635 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.613 2.124 6.022 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.254 -0.062 5.691 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.108 1.968 4.754 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.878 0.637 4.527 1.00 0.00 C ATOM 680 CE3 TRP A 49 -7.115 -1.452 5.717 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.374 -0.009 3.402 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.615 -2.092 4.599 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.249 -1.371 3.454 1.00 0.00 C ATOM 0 H TRP A 49 -10.411 -0.744 6.342 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.975 -0.023 9.079 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.090 1.534 8.628 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.630 -0.149 8.472 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.885 3.069 6.469 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.933 2.721 4.089 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.393 -2.016 6.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.091 0.545 2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.504 -3.166 4.608 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.861 -1.900 2.596 1.00 0.00 H new ATOM 694 N LEU A 50 -10.712 2.401 8.469 1.00 0.00 N ATOM 695 CA LEU A 50 -11.520 3.575 8.158 1.00 0.00 C ATOM 696 C LEU A 50 -10.739 4.859 8.421 1.00 0.00 C ATOM 697 O LEU A 50 -9.797 4.890 9.213 1.00 0.00 O ATOM 698 CB LEU A 50 -12.805 3.568 8.988 1.00 0.00 C ATOM 699 CG LEU A 50 -13.884 2.579 8.545 1.00 0.00 C ATOM 700 CD1 LEU A 50 -15.004 2.516 9.572 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.431 2.962 7.178 1.00 0.00 C ATOM 0 H LEU A 50 -10.273 2.423 9.390 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.778 3.538 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.544 3.350 10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.231 4.571 8.971 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.433 1.590 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.763 1.807 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.600 2.192 10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.453 3.503 9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.198 2.247 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.865 3.960 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.622 2.953 6.447 1.00 0.00 H new ATOM 713 N PRO A 51 -11.139 5.945 7.743 1.00 0.00 N ATOM 714 CA PRO A 51 -10.491 7.252 7.888 1.00 0.00 C ATOM 715 C PRO A 51 -10.760 7.883 9.250 1.00 0.00 C ATOM 716 O PRO A 51 -11.703 7.521 9.954 1.00 0.00 O ATOM 717 CB PRO A 51 -11.128 8.089 6.776 1.00 0.00 C ATOM 718 CG PRO A 51 -12.451 7.449 6.531 1.00 0.00 C ATOM 719 CD PRO A 51 -12.254 5.980 6.782 1.00 0.00 C ATOM 0 HA PRO A 51 -9.406 7.180 7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.242 9.130 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.513 8.085 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.212 7.860 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.788 7.629 5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.152 5.518 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.011 5.445 5.864 1.00 0.00 H new ATOM 727 N PRO A 52 -9.913 8.850 9.632 1.00 0.00 N ATOM 728 CA PRO A 52 -10.039 9.553 10.912 1.00 0.00 C ATOM 729 C PRO A 52 -11.258 10.469 10.953 1.00 0.00 C ATOM 730 O PRO A 52 -11.877 10.763 9.931 1.00 0.00 O ATOM 731 CB PRO A 52 -8.750 10.374 10.995 1.00 0.00 C ATOM 732 CG PRO A 52 -8.335 10.572 9.578 1.00 0.00 C ATOM 733 CD PRO A 52 -8.766 9.333 8.844 1.00 0.00 C ATOM 0 HA PRO A 52 -10.175 8.862 11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.920 11.328 11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.982 9.849 11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.804 11.460 9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.257 10.715 9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.050 9.554 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.967 8.593 8.802 1.00 0.00 H new ATOM 741 N PRO A 53 -11.611 10.932 12.161 1.00 0.00 N ATOM 742 CA PRO A 53 -12.758 11.822 12.364 1.00 0.00 C ATOM 743 C PRO A 53 -12.518 13.215 11.792 1.00 0.00 C ATOM 744 O PRO A 53 -11.411 13.537 11.360 1.00 0.00 O ATOM 745 CB PRO A 53 -12.893 11.886 13.887 1.00 0.00 C ATOM 746 CG PRO A 53 -11.528 11.588 14.401 1.00 0.00 C ATOM 747 CD PRO A 53 -10.918 10.622 13.423 1.00 0.00 C ATOM 0 HA PRO A 53 -13.652 11.457 11.858 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.233 12.869 14.213 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.620 11.160 14.251 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.932 12.497 14.474 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.573 11.155 15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.841 10.765 13.336 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.079 9.587 13.726 1.00 0.00 H new ATOM 755 N SER A 54 -13.562 14.038 11.792 1.00 0.00 N ATOM 756 CA SER A 54 -13.466 15.396 11.270 1.00 0.00 C ATOM 757 C SER A 54 -12.581 16.260 12.164 1.00 0.00 C ATOM 758 O SER A 54 -12.532 16.070 13.378 1.00 0.00 O ATOM 759 CB SER A 54 -14.857 16.021 11.153 1.00 0.00 C ATOM 760 OG SER A 54 -15.518 16.032 12.407 1.00 0.00 O ATOM 0 H SER A 54 -14.485 13.788 12.148 1.00 0.00 H new ATOM 0 HA SER A 54 -13.014 15.346 10.279 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.771 17.040 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.451 15.462 10.430 1.00 0.00 H new ATOM 0 HG SER A 54 -16.404 16.438 12.306 1.00 0.00 H new ATOM 766 N GLY A 55 -11.883 17.212 11.552 1.00 0.00 N ATOM 767 CA GLY A 55 -11.009 18.091 12.306 1.00 0.00 C ATOM 768 C GLY A 55 -9.548 17.705 12.180 1.00 0.00 C ATOM 769 O GLY A 55 -8.738 18.472 11.659 1.00 0.00 O ATOM 0 H GLY A 55 -11.907 17.390 10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.142 19.116 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.297 18.071 13.357 1.00 0.00 H new ATOM 773 N THR A 56 -9.210 16.513 12.660 1.00 0.00 N ATOM 774 CA THR A 56 -7.837 16.027 12.601 1.00 0.00 C ATOM 775 C THR A 56 -7.344 15.944 11.161 1.00 0.00 C ATOM 776 O THR A 56 -6.141 15.995 10.904 1.00 0.00 O ATOM 777 CB THR A 56 -7.703 14.640 13.258 1.00 0.00 C ATOM 778 OG1 THR A 56 -8.393 13.659 12.476 1.00 0.00 O ATOM 779 CG2 THR A 56 -8.263 14.655 14.672 1.00 0.00 C ATOM 0 H THR A 56 -9.868 15.866 13.094 1.00 0.00 H new ATOM 0 HA THR A 56 -7.225 16.742 13.151 1.00 0.00 H new ATOM 0 HB THR A 56 -6.644 14.386 13.307 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.310 13.961 12.307 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.157 13.665 15.116 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.716 15.382 15.272 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.318 14.929 14.643 1.00 0.00 H new ATOM 787 N GLN A 57 -8.280 15.818 10.226 1.00 0.00 N ATOM 788 CA GLN A 57 -7.939 15.729 8.811 1.00 0.00 C ATOM 789 C GLN A 57 -7.360 17.046 8.307 1.00 0.00 C ATOM 790 O GLN A 57 -8.007 18.090 8.384 1.00 0.00 O ATOM 791 CB GLN A 57 -9.174 15.353 7.990 1.00 0.00 C ATOM 792 CG GLN A 57 -9.462 13.861 7.973 1.00 0.00 C ATOM 793 CD GLN A 57 -10.822 13.536 7.387 1.00 0.00 C ATOM 794 OE1 GLN A 57 -11.465 14.386 6.771 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.268 12.299 7.576 1.00 0.00 N ATOM 0 H GLN A 57 -9.280 15.775 10.423 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.183 14.953 8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.041 15.877 8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.039 15.700 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.691 13.352 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.406 13.472 8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.702 11.626 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.177 12.022 7.204 1.00 0.00 H new ATOM 804 N ASN A 58 -6.137 16.990 7.791 1.00 0.00 N ATOM 805 CA ASN A 58 -5.469 18.180 7.274 1.00 0.00 C ATOM 806 C ASN A 58 -5.344 18.116 5.755 1.00 0.00 C ATOM 807 O ASN A 58 -5.713 19.056 5.051 1.00 0.00 O ATOM 808 CB ASN A 58 -4.084 18.328 7.906 1.00 0.00 C ATOM 809 CG ASN A 58 -3.233 17.084 7.731 1.00 0.00 C ATOM 810 OD1 ASN A 58 -3.483 16.055 8.357 1.00 0.00 O ATOM 811 ND2 ASN A 58 -2.221 17.176 6.877 1.00 0.00 N ATOM 0 H ASN A 58 -5.588 16.134 7.719 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.074 19.049 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.573 19.181 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.194 18.543 8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.613 16.373 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.051 18.050 6.380 1.00 0.00 H new ATOM 818 N GLY A 59 -4.821 17.001 5.255 1.00 0.00 N ATOM 819 CA GLY A 59 -4.656 16.835 3.823 1.00 0.00 C ATOM 820 C GLY A 59 -5.578 15.775 3.252 1.00 0.00 C ATOM 821 O GLY A 59 -6.062 14.906 3.978 1.00 0.00 O ATOM 0 H GLY A 59 -4.508 16.209 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.848 17.786 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.622 16.566 3.608 1.00 0.00 H new ATOM 825 N PHE A 60 -5.824 15.847 1.948 1.00 0.00 N ATOM 826 CA PHE A 60 -6.696 14.888 1.281 1.00 0.00 C ATOM 827 C PHE A 60 -6.033 13.516 1.198 1.00 0.00 C ATOM 828 O PHE A 60 -5.125 13.301 0.396 1.00 0.00 O ATOM 829 CB PHE A 60 -7.051 15.381 -0.124 1.00 0.00 C ATOM 830 CG PHE A 60 -7.497 14.284 -1.048 1.00 0.00 C ATOM 831 CD1 PHE A 60 -8.751 13.711 -0.910 1.00 0.00 C ATOM 832 CD2 PHE A 60 -6.663 13.827 -2.055 1.00 0.00 C ATOM 833 CE1 PHE A 60 -9.165 12.702 -1.760 1.00 0.00 C ATOM 834 CE2 PHE A 60 -7.071 12.819 -2.908 1.00 0.00 C ATOM 835 CZ PHE A 60 -8.323 12.255 -2.760 1.00 0.00 C ATOM 0 H PHE A 60 -5.432 16.560 1.333 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.610 14.796 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.842 16.127 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.183 15.879 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.413 14.056 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.682 14.263 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.145 12.264 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.411 12.473 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.643 11.466 -3.425 1.00 0.00 H new ATOM 845 N ILE A 61 -6.495 12.592 2.034 1.00 0.00 N ATOM 846 CA ILE A 61 -5.948 11.241 2.056 1.00 0.00 C ATOM 847 C ILE A 61 -5.904 10.643 0.654 1.00 0.00 C ATOM 848 O ILE A 61 -6.934 10.502 -0.006 1.00 0.00 O ATOM 849 CB ILE A 61 -6.771 10.315 2.971 1.00 0.00 C ATOM 850 CG1 ILE A 61 -6.820 10.879 4.393 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.182 8.912 2.973 1.00 0.00 C ATOM 852 CD1 ILE A 61 -7.965 10.336 5.219 1.00 0.00 C ATOM 0 H ILE A 61 -7.246 12.754 2.705 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.934 11.318 2.448 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.789 10.260 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.880 10.654 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.902 11.965 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.775 8.270 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.194 8.511 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.155 8.949 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.938 10.779 6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.911 10.584 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.873 9.253 5.301 1.00 0.00 H new ATOM 864 N THR A 62 -4.703 10.290 0.204 1.00 0.00 N ATOM 865 CA THR A 62 -4.524 9.706 -1.119 1.00 0.00 C ATOM 866 C THR A 62 -4.352 8.194 -1.034 1.00 0.00 C ATOM 867 O THR A 62 -4.312 7.506 -2.053 1.00 0.00 O ATOM 868 CB THR A 62 -3.305 10.311 -1.839 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.096 9.876 -1.207 1.00 0.00 O ATOM 870 CG2 THR A 62 -3.369 11.831 -1.829 1.00 0.00 C ATOM 0 H THR A 62 -3.840 10.399 0.737 1.00 0.00 H new ATOM 0 HA THR A 62 -5.424 9.934 -1.690 1.00 0.00 H new ATOM 0 HB THR A 62 -3.317 9.969 -2.874 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.326 10.264 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.497 12.235 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.275 12.160 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.380 12.188 -0.799 1.00 0.00 H new ATOM 878 N GLY A 63 -4.250 7.682 0.189 1.00 0.00 N ATOM 879 CA GLY A 63 -4.084 6.254 0.384 1.00 0.00 C ATOM 880 C GLY A 63 -3.772 5.897 1.824 1.00 0.00 C ATOM 881 O GLY A 63 -3.944 6.718 2.725 1.00 0.00 O ATOM 0 H GLY A 63 -4.279 8.231 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.994 5.740 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.281 5.894 -0.259 1.00 0.00 H new ATOM 885 N TYR A 64 -3.313 4.670 2.041 1.00 0.00 N ATOM 886 CA TYR A 64 -2.980 4.205 3.383 1.00 0.00 C ATOM 887 C TYR A 64 -1.771 3.275 3.352 1.00 0.00 C ATOM 888 O TYR A 64 -1.637 2.440 2.458 1.00 0.00 O ATOM 889 CB TYR A 64 -4.176 3.486 4.008 1.00 0.00 C ATOM 890 CG TYR A 64 -5.269 4.421 4.474 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.143 5.008 3.567 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.428 4.717 5.822 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.142 5.863 3.989 1.00 0.00 C ATOM 894 CE2 TYR A 64 -6.426 5.570 6.253 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.280 6.141 5.333 1.00 0.00 C ATOM 896 OH TYR A 64 -8.275 6.991 5.757 1.00 0.00 O ATOM 0 H TYR A 64 -3.163 3.979 1.306 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.731 5.075 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.591 2.789 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.831 2.893 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.039 4.792 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.760 4.273 6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.812 6.312 3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.537 5.788 7.305 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.768 7.330 4.981 1.00 0.00 H new ATOM 906 N LYS A 65 -0.893 3.425 4.338 1.00 0.00 N ATOM 907 CA LYS A 65 0.305 2.598 4.428 1.00 0.00 C ATOM 908 C LYS A 65 0.030 1.328 5.227 1.00 0.00 C ATOM 909 O LYS A 65 -0.530 1.381 6.322 1.00 0.00 O ATOM 910 CB LYS A 65 1.445 3.385 5.078 1.00 0.00 C ATOM 911 CG LYS A 65 2.823 2.821 4.776 1.00 0.00 C ATOM 912 CD LYS A 65 3.924 3.732 5.293 1.00 0.00 C ATOM 913 CE LYS A 65 4.101 4.952 4.403 1.00 0.00 C ATOM 914 NZ LYS A 65 5.492 5.481 4.458 1.00 0.00 N ATOM 0 H LYS A 65 -0.988 4.112 5.086 1.00 0.00 H new ATOM 0 HA LYS A 65 0.598 2.314 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.402 4.419 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.296 3.399 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.921 1.835 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.935 2.688 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.687 4.052 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.862 3.179 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.852 4.690 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.404 5.731 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.572 6.312 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.721 5.754 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.156 4.746 4.139 1.00 0.00 H new ATOM 928 N ILE A 66 0.429 0.188 4.672 1.00 0.00 N ATOM 929 CA ILE A 66 0.228 -1.095 5.335 1.00 0.00 C ATOM 930 C ILE A 66 1.549 -1.835 5.513 1.00 0.00 C ATOM 931 O ILE A 66 2.089 -2.400 4.561 1.00 0.00 O ATOM 932 CB ILE A 66 -0.746 -1.989 4.546 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.098 -1.290 4.384 1.00 0.00 C ATOM 934 CG2 ILE A 66 -0.919 -3.330 5.245 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.900 -1.792 3.204 1.00 0.00 C ATOM 0 H ILE A 66 0.893 0.127 3.766 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.200 -0.881 6.314 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.329 -2.168 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.681 -1.429 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.933 -0.219 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.610 -3.951 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.046 -3.831 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.317 -3.169 6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.846 -1.252 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.337 -1.629 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.097 -2.857 3.324 1.00 0.00 H new ATOM 947 N ARG A 67 2.064 -1.829 6.738 1.00 0.00 N ATOM 948 CA ARG A 67 3.322 -2.501 7.041 1.00 0.00 C ATOM 949 C ARG A 67 3.072 -3.847 7.714 1.00 0.00 C ATOM 950 O ARG A 67 2.448 -3.917 8.774 1.00 0.00 O ATOM 951 CB ARG A 67 4.190 -1.621 7.943 1.00 0.00 C ATOM 952 CG ARG A 67 5.006 -0.588 7.183 1.00 0.00 C ATOM 953 CD ARG A 67 6.251 -0.183 7.957 1.00 0.00 C ATOM 954 NE ARG A 67 6.770 1.110 7.520 1.00 0.00 N ATOM 955 CZ ARG A 67 7.475 1.281 6.407 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.742 0.247 5.621 1.00 0.00 N ATOM 957 NH2 ARG A 67 7.913 2.490 6.077 1.00 0.00 N ATOM 0 H ARG A 67 1.630 -1.366 7.537 1.00 0.00 H new ATOM 0 HA ARG A 67 3.846 -2.676 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.550 -1.109 8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.866 -2.257 8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.295 -0.993 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.393 0.293 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.018 -0.139 9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.021 -0.944 7.830 1.00 0.00 H new ATOM 0 HE ARG A 67 6.581 1.927 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.406 -0.683 5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.284 0.382 4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.708 3.288 6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.454 2.621 5.222 1.00 0.00 H new ATOM 971 N HIS A 68 3.561 -4.915 7.092 1.00 0.00 N ATOM 972 CA HIS A 68 3.390 -6.259 7.630 1.00 0.00 C ATOM 973 C HIS A 68 4.732 -6.850 8.052 1.00 0.00 C ATOM 974 O HIS A 68 5.629 -7.029 7.228 1.00 0.00 O ATOM 975 CB HIS A 68 2.723 -7.166 6.595 1.00 0.00 C ATOM 976 CG HIS A 68 3.295 -7.024 5.218 1.00 0.00 C ATOM 977 ND1 HIS A 68 4.371 -7.762 4.771 1.00 0.00 N ATOM 978 CD2 HIS A 68 2.934 -6.226 4.187 1.00 0.00 C ATOM 979 CE1 HIS A 68 4.648 -7.422 3.525 1.00 0.00 C ATOM 980 NE2 HIS A 68 3.790 -6.492 3.147 1.00 0.00 N ATOM 0 H HIS A 68 4.079 -4.875 6.214 1.00 0.00 H new ATOM 0 HA HIS A 68 2.749 -6.192 8.509 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.822 -8.203 6.915 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.657 -6.943 6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.123 -5.512 4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.441 -7.834 2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.767 -6.044 2.231 1.00 0.00 H new ATOM 989 N ARG A 69 4.862 -7.151 9.340 1.00 0.00 N ATOM 990 CA ARG A 69 6.095 -7.719 9.871 1.00 0.00 C ATOM 991 C ARG A 69 5.842 -9.096 10.478 1.00 0.00 C ATOM 992 O ARG A 69 4.759 -9.368 10.998 1.00 0.00 O ATOM 993 CB ARG A 69 6.699 -6.789 10.925 1.00 0.00 C ATOM 994 CG ARG A 69 7.464 -7.520 12.016 1.00 0.00 C ATOM 995 CD ARG A 69 8.556 -6.646 12.612 1.00 0.00 C ATOM 996 NE ARG A 69 8.887 -7.038 13.979 1.00 0.00 N ATOM 997 CZ ARG A 69 8.034 -6.956 14.994 1.00 0.00 C ATOM 998 NH1 ARG A 69 6.805 -6.499 14.796 1.00 0.00 N ATOM 999 NH2 ARG A 69 8.409 -7.333 16.210 1.00 0.00 N ATOM 0 H ARG A 69 4.129 -7.011 10.035 1.00 0.00 H new ATOM 0 HA ARG A 69 6.799 -7.828 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.369 -6.084 10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.900 -6.205 11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.774 -7.828 12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.906 -8.428 11.606 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.449 -6.709 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.233 -5.605 12.602 1.00 0.00 H new ATOM 0 HE ARG A 69 9.825 -7.394 14.165 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.513 -6.209 13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.152 -6.437 15.577 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.353 -7.686 16.366 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.753 -7.270 16.989 1.00 0.00 H new ATOM 1013 N LYS A 70 6.847 -9.962 10.407 1.00 0.00 N ATOM 1014 CA LYS A 70 6.735 -11.311 10.950 1.00 0.00 C ATOM 1015 C LYS A 70 7.555 -11.453 12.228 1.00 0.00 C ATOM 1016 O LYS A 70 8.492 -10.690 12.465 1.00 0.00 O ATOM 1017 CB LYS A 70 7.200 -12.339 9.915 1.00 0.00 C ATOM 1018 CG LYS A 70 6.662 -13.738 10.164 1.00 0.00 C ATOM 1019 CD LYS A 70 7.207 -14.732 9.153 1.00 0.00 C ATOM 1020 CE LYS A 70 6.610 -16.117 9.355 1.00 0.00 C ATOM 1021 NZ LYS A 70 7.236 -17.127 8.458 1.00 0.00 N ATOM 0 H LYS A 70 7.749 -9.754 9.979 1.00 0.00 H new ATOM 0 HA LYS A 70 5.688 -11.494 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.889 -12.010 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.289 -12.373 9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.930 -14.058 11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.573 -13.725 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.987 -14.384 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.292 -14.786 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.742 -16.422 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.537 -16.081 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.802 -18.057 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.088 -16.850 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.256 -17.180 8.654 1.00 0.00 H new ATOM 1133 N MET A 77 8.484 -4.338 5.682 1.00 0.00 N ATOM 1134 CA MET A 77 8.013 -4.117 4.320 1.00 0.00 C ATOM 1135 C MET A 77 6.683 -3.370 4.319 1.00 0.00 C ATOM 1136 O MET A 77 5.925 -3.435 5.286 1.00 0.00 O ATOM 1137 CB MET A 77 7.861 -5.451 3.587 1.00 0.00 C ATOM 1138 CG MET A 77 7.681 -5.303 2.085 1.00 0.00 C ATOM 1139 SD MET A 77 9.222 -4.904 1.237 1.00 0.00 S ATOM 1140 CE MET A 77 8.615 -3.891 -0.109 1.00 0.00 C ATOM 0 HA MET A 77 8.753 -3.507 3.801 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.741 -6.065 3.780 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.004 -5.985 3.996 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.276 -6.230 1.678 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.948 -4.521 1.886 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.453 -3.566 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 77 7.921 -4.471 -0.717 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.102 -3.019 0.295 1.00 0.00 H new ATOM 1150 N GLU A 78 6.408 -2.660 3.229 1.00 0.00 N ATOM 1151 CA GLU A 78 5.170 -1.900 3.106 1.00 0.00 C ATOM 1152 C GLU A 78 4.535 -2.113 1.735 1.00 0.00 C ATOM 1153 O GLU A 78 5.172 -2.627 0.815 1.00 0.00 O ATOM 1154 CB GLU A 78 5.436 -0.410 3.330 1.00 0.00 C ATOM 1155 CG GLU A 78 6.779 0.057 2.794 1.00 0.00 C ATOM 1156 CD GLU A 78 6.756 0.300 1.297 1.00 0.00 C ATOM 1157 OE1 GLU A 78 5.863 1.038 0.830 1.00 0.00 O ATOM 1158 OE2 GLU A 78 7.631 -0.246 0.593 1.00 0.00 O ATOM 0 H GLU A 78 7.025 -2.595 2.420 1.00 0.00 H new ATOM 0 HA GLU A 78 4.477 -2.257 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.644 0.167 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.387 -0.198 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.070 0.976 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.538 -0.690 3.026 1.00 0.00 H new ATOM 1165 N THR A 79 3.273 -1.715 1.605 1.00 0.00 N ATOM 1166 CA THR A 79 2.550 -1.864 0.349 1.00 0.00 C ATOM 1167 C THR A 79 1.339 -0.940 0.299 1.00 0.00 C ATOM 1168 O THR A 79 0.388 -1.103 1.065 1.00 0.00 O ATOM 1169 CB THR A 79 2.083 -3.316 0.138 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.216 -4.179 -0.007 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.195 -3.426 -1.093 1.00 0.00 C ATOM 0 H THR A 79 2.731 -1.287 2.355 1.00 0.00 H new ATOM 0 HA THR A 79 3.243 -1.594 -0.448 1.00 0.00 H new ATOM 0 HB THR A 79 1.505 -3.619 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.028 -3.639 -0.106 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.878 -4.461 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.318 -2.791 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.752 -3.106 -1.973 1.00 0.00 H new ATOM 1179 N LEU A 80 1.378 0.031 -0.608 1.00 0.00 N ATOM 1180 CA LEU A 80 0.282 0.982 -0.758 1.00 0.00 C ATOM 1181 C LEU A 80 -0.766 0.455 -1.734 1.00 0.00 C ATOM 1182 O LEU A 80 -0.430 -0.124 -2.767 1.00 0.00 O ATOM 1183 CB LEU A 80 0.814 2.331 -1.243 1.00 0.00 C ATOM 1184 CG LEU A 80 1.174 3.341 -0.153 1.00 0.00 C ATOM 1185 CD1 LEU A 80 1.707 4.625 -0.770 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.034 3.631 0.726 1.00 0.00 C ATOM 0 H LEU A 80 2.156 0.180 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.189 1.113 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.700 2.152 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.065 2.781 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 80 1.957 2.910 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.958 5.332 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.599 4.404 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.946 5.060 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.241 4.352 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.838 4.041 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.371 2.708 1.197 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.036 0.662 -1.400 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.132 0.209 -2.249 1.00 0.00 C ATOM 1200 C GLU A 81 -4.175 1.309 -2.424 1.00 0.00 C ATOM 1201 O GLU A 81 -5.001 1.561 -1.546 1.00 0.00 O ATOM 1202 CB GLU A 81 -3.785 -1.039 -1.652 1.00 0.00 C ATOM 1203 CG GLU A 81 -4.975 -1.544 -2.451 1.00 0.00 C ATOM 1204 CD GLU A 81 -4.564 -2.423 -3.617 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -3.628 -2.037 -4.348 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -5.179 -3.494 -3.798 1.00 0.00 O ATOM 0 H GLU A 81 -2.331 1.140 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.722 -0.037 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.040 -1.832 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.108 -0.818 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.638 -2.106 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.544 -0.693 -2.825 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.137 1.981 -3.584 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.072 3.064 -3.902 1.00 0.00 C ATOM 1215 C PRO A 82 -6.492 2.558 -4.129 1.00 0.00 C ATOM 1216 O PRO A 82 -7.456 3.313 -4.013 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.502 3.656 -5.194 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.736 2.540 -5.816 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.180 1.734 -4.675 1.00 0.00 C ATOM 0 HA PRO A 82 -5.155 3.783 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.296 4.007 -5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.858 4.511 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.380 1.929 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.936 2.922 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.119 0.675 -4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.174 2.057 -4.408 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.612 1.274 -4.452 1.00 0.00 N ATOM 1228 CA ASN A 83 -7.916 0.666 -4.695 1.00 0.00 C ATOM 1229 C ASN A 83 -8.922 1.094 -3.631 1.00 0.00 C ATOM 1230 O ASN A 83 -9.795 1.923 -3.886 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.795 -0.859 -4.714 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.964 -1.359 -5.880 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -6.059 -2.174 -5.707 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -7.270 -0.869 -7.076 1.00 0.00 N ATOM 0 H ASN A 83 -5.823 0.635 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.273 1.008 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.346 -1.197 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.791 -1.299 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.746 -1.167 -7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.029 -0.195 -7.172 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.793 0.523 -2.438 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.691 0.846 -1.335 1.00 0.00 C ATOM 1243 C ASN A 84 -8.965 0.754 0.003 1.00 0.00 C ATOM 1244 O ASN A 84 -7.765 0.477 0.053 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.897 -0.096 -1.340 1.00 0.00 C ATOM 1246 CG ASN A 84 -11.870 0.215 -2.460 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.603 1.202 -2.404 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -11.880 -0.628 -3.486 1.00 0.00 N ATOM 0 H ASN A 84 -8.076 -0.165 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.038 1.871 -1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.550 -1.125 -1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.414 -0.025 -0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.513 -0.470 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.255 -1.434 -3.490 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.698 0.987 1.086 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.125 0.929 2.426 1.00 0.00 C ATOM 1257 C LEU A 85 -9.094 -0.505 2.944 1.00 0.00 C ATOM 1258 O LEU A 85 -9.270 -0.748 4.138 1.00 0.00 O ATOM 1259 CB LEU A 85 -9.926 1.813 3.383 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.357 3.175 2.838 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -11.599 3.671 3.563 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.225 4.183 2.966 1.00 0.00 C ATOM 0 H LEU A 85 -10.691 1.218 1.062 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.101 1.298 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.819 1.267 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.329 1.976 4.281 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.599 3.062 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.891 4.642 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.412 2.960 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.385 3.768 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.550 5.147 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.952 4.292 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.361 3.833 2.401 1.00 0.00 H new ATOM 1274 N TRP A 86 -8.867 -1.450 2.039 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.811 -2.861 2.406 1.00 0.00 C ATOM 1276 C TRP A 86 -7.816 -3.612 1.528 1.00 0.00 C ATOM 1277 O TRP A 86 -7.686 -3.327 0.337 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.197 -3.496 2.286 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.718 -3.524 0.881 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.652 -2.690 0.336 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.335 -4.434 -0.157 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.873 -3.027 -0.978 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.077 -4.092 -1.304 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.437 -5.502 -0.228 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -10.947 -4.783 -2.507 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.310 -6.186 -1.422 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.061 -5.824 -2.548 1.00 0.00 C ATOM 0 H TRP A 86 -8.719 -1.266 1.047 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.477 -2.929 3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.157 -4.515 2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -10.897 -2.945 2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.144 -1.884 0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.525 -2.559 -1.608 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -8.853 -5.788 0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.525 -4.506 -3.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.620 -7.014 -1.488 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -9.938 -6.378 -3.467 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.117 -4.572 2.122 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.132 -5.363 1.394 1.00 0.00 C ATOM 1300 C TYR A 87 -6.246 -6.841 1.754 1.00 0.00 C ATOM 1301 O TYR A 87 -6.047 -7.229 2.907 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.719 -4.860 1.695 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.705 -5.233 0.638 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.506 -6.560 0.275 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -2.945 -4.259 0.002 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.581 -6.905 -0.691 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.018 -4.595 -0.966 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.839 -5.919 -1.308 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.916 -6.258 -2.271 1.00 0.00 O ATOM 0 H TYR A 87 -7.214 -4.822 3.106 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.330 -5.251 0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.743 -3.775 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.396 -5.263 2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.085 -7.334 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.081 -3.221 0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.439 -7.941 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.437 -3.825 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.480 -5.447 -2.606 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.566 -7.663 0.761 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.706 -9.099 0.971 1.00 0.00 C ATOM 1321 C LEU A 88 -5.417 -9.831 0.609 1.00 0.00 C ATOM 1322 O LEU A 88 -5.080 -9.970 -0.567 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.867 -9.646 0.138 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.409 -11.012 0.558 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -7.269 -11.993 0.781 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -9.260 -10.886 1.814 1.00 0.00 C ATOM 0 H LEU A 88 -6.733 -7.359 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.914 -9.268 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.685 -8.926 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.544 -9.709 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.038 -11.394 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.674 -12.960 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.701 -12.107 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.613 -11.616 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.637 -11.868 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.654 -10.482 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.099 -10.218 1.620 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.703 -10.299 1.626 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.451 -11.017 1.415 1.00 0.00 C ATOM 1340 C PHE A 89 -3.705 -12.512 1.246 1.00 0.00 C ATOM 1341 O PHE A 89 -4.612 -13.074 1.861 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.498 -10.780 2.588 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.901 -9.402 2.606 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.807 -9.096 1.812 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.433 -8.412 3.416 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.255 -7.829 1.825 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -1.886 -7.143 3.434 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.795 -6.851 2.638 1.00 0.00 C ATOM 0 H PHE A 89 -4.969 -10.194 2.605 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.993 -10.638 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.035 -10.947 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.694 -11.515 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.381 -9.857 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.285 -8.635 4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.597 -7.604 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.311 -6.380 4.070 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.365 -5.860 2.651 1.00 0.00 H new ATOM 1358 N THR A 90 -2.896 -13.153 0.407 1.00 0.00 N ATOM 1359 CA THR A 90 -3.033 -14.581 0.155 1.00 0.00 C ATOM 1360 C THR A 90 -1.669 -15.245 0.001 1.00 0.00 C ATOM 1361 O THR A 90 -0.670 -14.579 -0.266 1.00 0.00 O ATOM 1362 CB THR A 90 -3.868 -14.851 -1.111 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.519 -13.915 -2.137 1.00 0.00 O ATOM 1364 CG2 THR A 90 -5.356 -14.749 -0.810 1.00 0.00 C ATOM 0 H THR A 90 -2.139 -12.704 -0.109 1.00 0.00 H new ATOM 0 HA THR A 90 -3.547 -15.006 1.017 1.00 0.00 H new ATOM 0 HB THR A 90 -3.651 -15.863 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.053 -14.094 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.925 -14.944 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.625 -15.482 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.586 -13.748 -0.445 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.636 -16.564 0.170 1.00 0.00 N ATOM 1373 CA GLY A 91 -0.389 -17.296 0.045 1.00 0.00 C ATOM 1374 C GLY A 91 0.426 -17.275 1.323 1.00 0.00 C ATOM 1375 O GLY A 91 1.649 -17.421 1.291 1.00 0.00 O ATOM 0 H GLY A 91 -2.450 -17.138 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.604 -18.329 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.201 -16.868 -0.765 1.00 0.00 H new ATOM 1379 N LEU A 92 -0.251 -17.093 2.451 1.00 0.00 N ATOM 1380 CA LEU A 92 0.418 -17.052 3.747 1.00 0.00 C ATOM 1381 C LEU A 92 0.684 -18.461 4.267 1.00 0.00 C ATOM 1382 O LEU A 92 -0.058 -19.394 3.965 1.00 0.00 O ATOM 1383 CB LEU A 92 -0.429 -16.274 4.756 1.00 0.00 C ATOM 1384 CG LEU A 92 -1.036 -14.964 4.254 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -2.138 -14.493 5.191 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.040 -13.897 4.115 1.00 0.00 C ATOM 0 H LEU A 92 -1.263 -16.971 2.495 1.00 0.00 H new ATOM 0 HA LEU A 92 1.375 -16.546 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.239 -16.920 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.189 -16.055 5.626 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.473 -15.141 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.558 -13.559 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.921 -15.249 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.725 -14.332 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.410 -12.971 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.506 -13.722 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.795 -14.232 3.404 1.00 0.00 H new ATOM 1398 N GLU A 93 1.747 -18.605 5.052 1.00 0.00 N ATOM 1399 CA GLU A 93 2.110 -19.900 5.616 1.00 0.00 C ATOM 1400 C GLU A 93 1.211 -20.250 6.799 1.00 0.00 C ATOM 1401 O GLU A 93 0.939 -19.409 7.656 1.00 0.00 O ATOM 1402 CB GLU A 93 3.575 -19.898 6.057 1.00 0.00 C ATOM 1403 CG GLU A 93 4.551 -20.191 4.930 1.00 0.00 C ATOM 1404 CD GLU A 93 4.785 -18.990 4.034 1.00 0.00 C ATOM 1405 OE1 GLU A 93 3.978 -18.778 3.105 1.00 0.00 O ATOM 1406 OE2 GLU A 93 5.774 -18.263 4.261 1.00 0.00 O ATOM 0 H GLU A 93 2.372 -17.842 5.312 1.00 0.00 H new ATOM 0 HA GLU A 93 1.973 -20.655 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.814 -18.926 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.709 -20.639 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.502 -20.515 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.171 -21.018 4.331 1.00 0.00 H new ATOM 1413 N LYS A 94 0.753 -21.497 6.838 1.00 0.00 N ATOM 1414 CA LYS A 94 -0.114 -21.960 7.915 1.00 0.00 C ATOM 1415 C LYS A 94 0.659 -22.073 9.225 1.00 0.00 C ATOM 1416 O LYS A 94 1.861 -22.336 9.227 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.730 -23.314 7.555 1.00 0.00 C ATOM 1418 CG LYS A 94 0.292 -24.430 7.419 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.339 -25.699 6.870 1.00 0.00 C ATOM 1420 CE LYS A 94 0.662 -26.843 6.822 1.00 0.00 C ATOM 1421 NZ LYS A 94 0.773 -27.539 8.134 1.00 0.00 N ATOM 0 H LYS A 94 0.968 -22.205 6.136 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.911 -21.228 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.456 -23.589 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.277 -23.217 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.098 -24.108 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.739 -24.636 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.188 -25.983 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.726 -25.510 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.360 -27.558 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.639 -26.458 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.465 -28.312 8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.086 -26.863 8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.154 -27.929 8.400 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.040 -21.875 10.339 1.00 0.00 N ATOM 1436 CA GLY A 95 0.597 -21.960 11.640 1.00 0.00 C ATOM 1437 C GLY A 95 1.751 -20.989 11.785 1.00 0.00 C ATOM 1438 O GLY A 95 2.895 -21.398 11.983 1.00 0.00 O ATOM 0 H GLY A 95 -1.036 -21.657 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.142 -21.760 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.959 -22.976 11.798 1.00 0.00 H new ATOM 1442 N SER A 96 1.452 -19.697 11.686 1.00 0.00 N ATOM 1443 CA SER A 96 2.474 -18.665 11.803 1.00 0.00 C ATOM 1444 C SER A 96 1.882 -17.374 12.362 1.00 0.00 C ATOM 1445 O SER A 96 0.666 -17.188 12.365 1.00 0.00 O ATOM 1446 CB SER A 96 3.116 -18.396 10.440 1.00 0.00 C ATOM 1447 OG SER A 96 4.146 -19.330 10.168 1.00 0.00 O ATOM 0 H SER A 96 0.510 -19.341 11.525 1.00 0.00 H new ATOM 0 HA SER A 96 3.238 -19.023 12.493 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.357 -18.450 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.523 -17.385 10.419 1.00 0.00 H new ATOM 0 HG SER A 96 4.023 -20.125 10.728 1.00 0.00 H new ATOM 1453 N GLN A 97 2.753 -16.487 12.834 1.00 0.00 N ATOM 1454 CA GLN A 97 2.316 -15.215 13.397 1.00 0.00 C ATOM 1455 C GLN A 97 2.699 -14.056 12.483 1.00 0.00 C ATOM 1456 O GLN A 97 3.831 -13.976 12.006 1.00 0.00 O ATOM 1457 CB GLN A 97 2.928 -15.010 14.784 1.00 0.00 C ATOM 1458 CG GLN A 97 2.200 -13.971 15.622 1.00 0.00 C ATOM 1459 CD GLN A 97 2.965 -13.593 16.875 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.967 -12.880 16.814 1.00 0.00 O ATOM 1461 NE2 GLN A 97 2.495 -14.070 18.022 1.00 0.00 N ATOM 0 H GLN A 97 3.764 -16.626 12.838 1.00 0.00 H new ATOM 0 HA GLN A 97 1.230 -15.240 13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.926 -15.961 15.317 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.970 -14.709 14.672 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.031 -13.078 15.020 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.220 -14.357 15.902 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.661 -14.657 18.027 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.968 -13.849 18.898 1.00 0.00 H new ATOM 1470 N TYR A 98 1.748 -13.160 12.242 1.00 0.00 N ATOM 1471 CA TYR A 98 1.985 -12.006 11.382 1.00 0.00 C ATOM 1472 C TYR A 98 1.449 -10.730 12.024 1.00 0.00 C ATOM 1473 O TYR A 98 0.429 -10.749 12.712 1.00 0.00 O ATOM 1474 CB TYR A 98 1.330 -12.218 10.017 1.00 0.00 C ATOM 1475 CG TYR A 98 1.994 -13.294 9.187 1.00 0.00 C ATOM 1476 CD1 TYR A 98 3.289 -13.133 8.713 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.325 -14.473 8.879 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.899 -14.114 7.954 1.00 0.00 C ATOM 1479 CE2 TYR A 98 1.927 -15.459 8.122 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.214 -15.275 7.662 1.00 0.00 C ATOM 1481 OH TYR A 98 3.818 -16.254 6.907 1.00 0.00 O ATOM 0 H TYR A 98 0.806 -13.211 12.630 1.00 0.00 H new ATOM 0 HA TYR A 98 3.061 -11.899 11.248 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.282 -12.479 10.163 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.351 -11.279 9.464 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.829 -12.226 8.941 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.317 -14.621 9.238 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.906 -13.972 7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.393 -16.369 7.892 1.00 0.00 H new ATOM 0 HH TYR A 98 4.786 -16.231 7.055 1.00 0.00 H new ATOM 1491 N SER A 99 2.145 -9.621 11.791 1.00 0.00 N ATOM 1492 CA SER A 99 1.742 -8.335 12.348 1.00 0.00 C ATOM 1493 C SER A 99 1.329 -7.369 11.241 1.00 0.00 C ATOM 1494 O SER A 99 1.700 -7.543 10.080 1.00 0.00 O ATOM 1495 CB SER A 99 2.882 -7.731 13.169 1.00 0.00 C ATOM 1496 OG SER A 99 2.899 -8.259 14.484 1.00 0.00 O ATOM 0 H SER A 99 2.990 -9.588 11.221 1.00 0.00 H new ATOM 0 HA SER A 99 0.884 -8.502 12.999 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.834 -7.935 12.680 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.770 -6.648 13.210 1.00 0.00 H new ATOM 0 HG SER A 99 3.638 -7.858 14.988 1.00 0.00 H new ATOM 1502 N PHE A 100 0.560 -6.350 11.610 1.00 0.00 N ATOM 1503 CA PHE A 100 0.096 -5.356 10.649 1.00 0.00 C ATOM 1504 C PHE A 100 -0.195 -4.027 11.340 1.00 0.00 C ATOM 1505 O PHE A 100 -0.480 -3.987 12.536 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.160 -5.857 9.932 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.003 -7.224 9.332 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -0.990 -8.352 10.137 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -0.866 -7.383 7.962 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -0.846 -9.612 9.588 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -0.722 -8.640 7.407 1.00 0.00 C ATOM 1512 CZ PHE A 100 -0.711 -9.756 8.221 1.00 0.00 C ATOM 0 H PHE A 100 0.245 -6.191 12.567 1.00 0.00 H new ATOM 0 HA PHE A 100 0.887 -5.199 9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.990 -5.872 10.638 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.425 -5.152 9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.094 -8.245 11.207 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.872 -6.514 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.839 -10.483 10.227 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.618 -8.750 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.597 -10.739 7.789 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.120 -2.942 10.576 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.374 -1.611 11.114 1.00 0.00 C ATOM 1524 C GLN A 101 -0.948 -0.690 10.043 1.00 0.00 C ATOM 1525 O GLN A 101 -0.340 -0.489 8.991 1.00 0.00 O ATOM 1526 CB GLN A 101 0.915 -1.012 11.680 1.00 0.00 C ATOM 1527 CG GLN A 101 0.690 0.239 12.514 1.00 0.00 C ATOM 1528 CD GLN A 101 1.882 0.580 13.387 1.00 0.00 C ATOM 1529 OE1 GLN A 101 1.970 0.144 14.535 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.807 1.364 12.847 1.00 0.00 N ATOM 0 H GLN A 101 0.114 -2.959 9.583 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.106 -1.705 11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.416 -1.762 12.293 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.587 -0.773 10.856 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.477 1.079 11.853 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -0.188 0.098 13.144 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.694 1.703 11.892 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.631 1.628 13.387 1.00 0.00 H new ATOM 1539 N VAL A 102 -2.123 -0.133 10.316 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.780 0.767 9.375 1.00 0.00 C ATOM 1541 C VAL A 102 -2.519 2.225 9.736 1.00 0.00 C ATOM 1542 O VAL A 102 -2.449 2.581 10.913 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.300 0.524 9.333 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.979 1.542 8.429 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.600 -0.894 8.873 1.00 0.00 C ATOM 0 H VAL A 102 -2.640 -0.289 11.181 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.359 0.558 8.391 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.698 0.646 10.340 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.053 1.354 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.792 2.547 8.808 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.579 1.455 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.679 -1.048 8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.189 -1.047 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.147 -1.604 9.565 1.00 0.00 H new ATOM 1555 N SER A 103 -2.376 3.066 8.716 1.00 0.00 N ATOM 1556 CA SER A 103 -2.120 4.486 8.926 1.00 0.00 C ATOM 1557 C SER A 103 -2.673 5.314 7.770 1.00 0.00 C ATOM 1558 O SER A 103 -2.544 4.939 6.606 1.00 0.00 O ATOM 1559 CB SER A 103 -0.618 4.738 9.075 1.00 0.00 C ATOM 1560 OG SER A 103 0.055 4.552 7.842 1.00 0.00 O ATOM 0 H SER A 103 -2.433 2.788 7.736 1.00 0.00 H new ATOM 0 HA SER A 103 -2.625 4.790 9.843 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.450 5.753 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.205 4.062 9.824 1.00 0.00 H new ATOM 0 HG SER A 103 1.013 4.721 7.963 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.291 6.443 8.103 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.863 7.326 7.095 1.00 0.00 C ATOM 1568 C ALA A 104 -2.832 8.337 6.601 1.00 0.00 C ATOM 1569 O ALA A 104 -2.330 9.152 7.374 1.00 0.00 O ATOM 1570 CB ALA A 104 -5.083 8.044 7.652 1.00 0.00 C ATOM 0 H ALA A 104 -3.408 6.767 9.063 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.171 6.715 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.500 8.700 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.833 7.311 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.792 8.637 8.519 1.00 0.00 H new ATOM 1576 N MET A 105 -2.522 8.276 5.311 1.00 0.00 N ATOM 1577 CA MET A 105 -1.551 9.187 4.715 1.00 0.00 C ATOM 1578 C MET A 105 -2.252 10.351 4.021 1.00 0.00 C ATOM 1579 O MET A 105 -3.328 10.187 3.445 1.00 0.00 O ATOM 1580 CB MET A 105 -0.666 8.440 3.715 1.00 0.00 C ATOM 1581 CG MET A 105 0.522 7.742 4.359 1.00 0.00 C ATOM 1582 SD MET A 105 1.818 7.341 3.171 1.00 0.00 S ATOM 1583 CE MET A 105 1.102 5.914 2.359 1.00 0.00 C ATOM 0 H MET A 105 -2.928 7.606 4.658 1.00 0.00 H new ATOM 0 HA MET A 105 -0.927 9.586 5.514 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.270 7.701 3.189 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.302 9.145 2.967 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.935 8.381 5.140 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.182 6.827 4.843 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.875 5.163 2.195 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.315 5.495 2.986 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.680 6.215 1.400 1.00 0.00 H new ATOM 1593 N THR A 106 -1.635 11.527 4.079 1.00 0.00 N ATOM 1594 CA THR A 106 -2.201 12.718 3.458 1.00 0.00 C ATOM 1595 C THR A 106 -1.201 13.370 2.509 1.00 0.00 C ATOM 1596 O THR A 106 -0.067 12.911 2.374 1.00 0.00 O ATOM 1597 CB THR A 106 -2.636 13.750 4.515 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.525 14.098 5.347 1.00 0.00 O ATOM 1599 CG2 THR A 106 -3.767 13.202 5.373 1.00 0.00 C ATOM 0 H THR A 106 -0.743 11.680 4.550 1.00 0.00 H new ATOM 0 HA THR A 106 -3.077 12.395 2.895 1.00 0.00 H new ATOM 0 HB THR A 106 -2.993 14.640 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.182 13.293 5.788 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.057 13.948 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.622 12.966 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.432 12.298 5.882 1.00 0.00 H new ATOM 1607 N VAL A 107 -1.629 14.445 1.854 1.00 0.00 N ATOM 1608 CA VAL A 107 -0.771 15.161 0.918 1.00 0.00 C ATOM 1609 C VAL A 107 0.488 15.673 1.609 1.00 0.00 C ATOM 1610 O VAL A 107 1.449 16.075 0.954 1.00 0.00 O ATOM 1611 CB VAL A 107 -1.510 16.351 0.276 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -1.833 17.406 1.323 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -0.683 16.944 -0.854 1.00 0.00 C ATOM 0 H VAL A 107 -2.565 14.839 1.955 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.492 14.452 0.138 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.449 15.990 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.355 18.239 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.468 16.970 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.908 17.766 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.220 17.783 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.273 17.291 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.509 16.183 -1.615 1.00 0.00 H new ATOM 1623 N ASN A 108 0.477 15.654 2.938 1.00 0.00 N ATOM 1624 CA ASN A 108 1.618 16.116 3.719 1.00 0.00 C ATOM 1625 C ASN A 108 2.549 14.957 4.062 1.00 0.00 C ATOM 1626 O ASN A 108 3.673 14.882 3.567 1.00 0.00 O ATOM 1627 CB ASN A 108 1.142 16.799 5.003 1.00 0.00 C ATOM 1628 CG ASN A 108 0.908 18.285 4.815 1.00 0.00 C ATOM 1629 OD1 ASN A 108 1.800 19.100 5.051 1.00 0.00 O ATOM 1630 ND2 ASN A 108 -0.297 18.645 4.389 1.00 0.00 N ATOM 0 H ASN A 108 -0.310 15.323 3.496 1.00 0.00 H new ATOM 0 HA ASN A 108 2.170 16.836 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.219 16.328 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.883 16.647 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -0.513 19.631 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -1.006 17.935 4.206 1.00 0.00 H new ATOM 1637 N GLY A 109 2.071 14.053 4.912 1.00 0.00 N ATOM 1638 CA GLY A 109 2.872 12.909 5.306 1.00 0.00 C ATOM 1639 C GLY A 109 2.034 11.787 5.887 1.00 0.00 C ATOM 1640 O GLY A 109 0.870 11.617 5.523 1.00 0.00 O ATOM 0 H GLY A 109 1.143 14.093 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.420 12.538 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.612 13.224 6.041 1.00 0.00 H new ATOM 1644 N THR A 110 2.627 11.017 6.795 1.00 0.00 N ATOM 1645 CA THR A 110 1.929 9.904 7.426 1.00 0.00 C ATOM 1646 C THR A 110 1.624 10.205 8.889 1.00 0.00 C ATOM 1647 O THR A 110 2.520 10.531 9.666 1.00 0.00 O ATOM 1648 CB THR A 110 2.752 8.605 7.342 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.511 8.584 6.128 1.00 0.00 O ATOM 1650 CG2 THR A 110 1.844 7.385 7.399 1.00 0.00 C ATOM 0 H THR A 110 3.589 11.144 7.109 1.00 0.00 H new ATOM 0 HA THR A 110 0.994 9.769 6.883 1.00 0.00 H new ATOM 0 HB THR A 110 3.430 8.574 8.195 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.033 7.756 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.447 6.479 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.288 7.388 8.337 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.145 7.412 6.563 1.00 0.00 H new ATOM 1658 N GLY A 111 0.351 10.093 9.259 1.00 0.00 N ATOM 1659 CA GLY A 111 -0.049 10.356 10.628 1.00 0.00 C ATOM 1660 C GLY A 111 0.561 9.375 11.610 1.00 0.00 C ATOM 1661 O GLY A 111 1.508 8.655 11.293 1.00 0.00 O ATOM 0 H GLY A 111 -0.409 9.825 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.246 11.369 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.136 10.310 10.701 1.00 0.00 H new ATOM 1665 N PRO A 112 0.014 9.338 12.834 1.00 0.00 N ATOM 1666 CA PRO A 112 0.495 8.443 13.890 1.00 0.00 C ATOM 1667 C PRO A 112 0.179 6.980 13.598 1.00 0.00 C ATOM 1668 O PRO A 112 -0.888 6.641 13.086 1.00 0.00 O ATOM 1669 CB PRO A 112 -0.265 8.917 15.131 1.00 0.00 C ATOM 1670 CG PRO A 112 -1.503 9.552 14.597 1.00 0.00 C ATOM 1671 CD PRO A 112 -1.118 10.168 13.281 1.00 0.00 C ATOM 0 HA PRO A 112 1.579 8.484 13.996 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.501 8.084 15.793 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.326 9.627 15.710 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.295 8.814 14.466 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.882 10.307 15.285 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.942 10.141 12.568 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.830 11.213 13.395 1.00 0.00 H new ATOM 1679 N PRO A 113 1.127 6.091 13.931 1.00 0.00 N ATOM 1680 CA PRO A 113 0.971 4.650 13.715 1.00 0.00 C ATOM 1681 C PRO A 113 -0.071 4.033 14.642 1.00 0.00 C ATOM 1682 O PRO A 113 -0.109 4.333 15.835 1.00 0.00 O ATOM 1683 CB PRO A 113 2.362 4.092 14.028 1.00 0.00 C ATOM 1684 CG PRO A 113 2.968 5.086 14.957 1.00 0.00 C ATOM 1685 CD PRO A 113 2.423 6.425 14.545 1.00 0.00 C ATOM 0 HA PRO A 113 0.623 4.425 12.707 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.299 3.106 14.489 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.958 3.982 13.122 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.709 4.861 15.992 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.056 5.070 14.890 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.303 7.090 15.400 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.084 6.928 13.840 1.00 0.00 H new ATOM 1693 N SER A 114 -0.915 3.170 14.085 1.00 0.00 N ATOM 1694 CA SER A 114 -1.960 2.514 14.862 1.00 0.00 C ATOM 1695 C SER A 114 -1.398 1.322 15.630 1.00 0.00 C ATOM 1696 O SER A 114 -0.367 0.761 15.260 1.00 0.00 O ATOM 1697 CB SER A 114 -3.095 2.055 13.944 1.00 0.00 C ATOM 1698 OG SER A 114 -2.613 1.188 12.932 1.00 0.00 O ATOM 0 H SER A 114 -0.895 2.909 13.099 1.00 0.00 H new ATOM 0 HA SER A 114 -2.352 3.235 15.580 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.858 1.545 14.531 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.571 2.923 13.488 1.00 0.00 H new ATOM 0 HG SER A 114 -2.834 1.558 12.052 1.00 0.00 H new ATOM 1704 N ASN A 115 -2.085 0.940 16.702 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.655 -0.186 17.524 1.00 0.00 C ATOM 1706 C ASN A 115 -1.201 -1.353 16.653 1.00 0.00 C ATOM 1707 O ASN A 115 -1.856 -1.699 15.670 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.791 -0.634 18.446 1.00 0.00 C ATOM 1709 CG ASN A 115 -3.259 0.476 19.368 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -4.054 1.330 18.975 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -2.766 0.468 20.601 1.00 0.00 N ATOM 0 H ASN A 115 -2.941 1.393 17.022 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.811 0.141 18.131 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.630 -0.979 17.842 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.457 -1.482 19.043 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.044 1.190 21.266 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.109 -0.260 20.883 1.00 0.00 H new ATOM 1718 N TRP A 116 -0.077 -1.957 17.022 1.00 0.00 N ATOM 1719 CA TRP A 116 0.464 -3.087 16.275 1.00 0.00 C ATOM 1720 C TRP A 116 -0.322 -4.360 16.568 1.00 0.00 C ATOM 1721 O TRP A 116 -0.041 -5.065 17.538 1.00 0.00 O ATOM 1722 CB TRP A 116 1.940 -3.293 16.620 1.00 0.00 C ATOM 1723 CG TRP A 116 2.869 -2.513 15.740 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.622 -1.431 16.099 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.143 -2.754 14.356 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.347 -0.984 15.020 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.072 -1.780 13.939 1.00 0.00 C ATOM 1728 CE3 TRP A 116 2.697 -3.698 13.428 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.559 -1.725 12.636 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.181 -3.642 12.135 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.104 -2.662 11.749 1.00 0.00 C ATOM 0 H TRP A 116 0.477 -1.683 17.833 1.00 0.00 H new ATOM 0 HA TRP A 116 0.374 -2.864 15.212 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.107 -3.005 17.658 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.180 -4.353 16.541 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.644 -0.992 17.085 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.986 -0.189 15.023 1.00 0.00 H new ATOM 0 HE3 TRP A 116 1.986 -4.458 13.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.270 -0.970 12.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.842 -4.366 11.410 1.00 0.00 H new ATOM 0 HH2 TRP A 116 4.464 -2.646 10.731 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.307 -4.650 15.725 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.135 -5.838 15.896 1.00 0.00 C ATOM 1744 C TYR A 117 -1.480 -7.056 15.252 1.00 0.00 C ATOM 1745 O TYR A 117 -0.745 -6.935 14.271 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.521 -5.610 15.291 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.215 -4.373 15.814 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.938 -3.120 15.283 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.149 -4.458 16.840 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.568 -1.987 15.759 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -5.786 -3.330 17.321 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.492 -2.097 16.777 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.124 -0.971 17.253 1.00 0.00 O ATOM 0 H TYR A 117 -1.552 -4.079 14.916 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.239 -6.027 16.964 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.427 -5.533 14.208 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.145 -6.480 15.496 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.217 -3.030 14.484 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.381 -5.422 17.268 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.338 -1.020 15.336 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.510 -3.413 18.118 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.745 -1.222 17.968 1.00 0.00 H new ATOM 1763 N THR A 118 -1.752 -8.231 15.811 1.00 0.00 N ATOM 1764 CA THR A 118 -1.190 -9.472 15.293 1.00 0.00 C ATOM 1765 C THR A 118 -2.281 -10.508 15.045 1.00 0.00 C ATOM 1766 O THR A 118 -3.276 -10.561 15.767 1.00 0.00 O ATOM 1767 CB THR A 118 -0.147 -10.063 16.260 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.903 -9.115 16.486 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.438 -11.352 15.703 1.00 0.00 C ATOM 0 H THR A 118 -2.358 -8.349 16.623 1.00 0.00 H new ATOM 0 HA THR A 118 -0.702 -9.229 14.349 1.00 0.00 H new ATOM 0 HB THR A 118 -0.644 -10.287 17.204 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.428 -9.006 15.666 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.172 -11.751 16.403 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.359 -12.081 15.559 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.921 -11.149 14.747 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.087 -11.331 14.020 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.053 -12.368 13.679 1.00 0.00 C ATOM 1779 C ALA A 119 -2.353 -13.676 13.329 1.00 0.00 C ATOM 1780 O ALA A 119 -1.424 -13.697 12.522 1.00 0.00 O ATOM 1781 CB ALA A 119 -3.931 -11.911 12.523 1.00 0.00 C ATOM 0 H ALA A 119 -1.269 -11.300 13.411 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.682 -12.545 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.648 -12.695 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.467 -11.006 12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.308 -11.705 11.653 1.00 0.00 H new ATOM 1787 N GLU A 120 -2.805 -14.766 13.942 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.220 -16.079 13.695 1.00 0.00 C ATOM 1789 C GLU A 120 -3.102 -16.901 12.760 1.00 0.00 C ATOM 1790 O GLU A 120 -4.323 -16.938 12.912 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.019 -16.828 15.014 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.191 -16.060 16.031 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.978 -14.955 16.708 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -3.177 -15.165 16.986 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -1.395 -13.879 16.960 1.00 0.00 O ATOM 0 H GLU A 120 -3.574 -14.766 14.613 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.251 -15.933 13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.994 -17.052 15.447 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.534 -17.782 14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.818 -16.751 16.787 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.321 -15.630 15.535 1.00 0.00 H new ATOM 1802 N THR A 121 -2.474 -17.559 11.790 1.00 0.00 N ATOM 1803 CA THR A 121 -3.200 -18.379 10.829 1.00 0.00 C ATOM 1804 C THR A 121 -3.456 -19.776 11.380 1.00 0.00 C ATOM 1805 O THR A 121 -2.619 -20.360 12.069 1.00 0.00 O ATOM 1806 CB THR A 121 -2.433 -18.496 9.498 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.060 -18.814 9.751 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.521 -17.201 8.706 1.00 0.00 C ATOM 0 H THR A 121 -1.464 -17.540 11.650 1.00 0.00 H new ATOM 0 HA THR A 121 -4.154 -17.883 10.648 1.00 0.00 H new ATOM 0 HB THR A 121 -2.889 -19.293 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.599 -18.973 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.972 -17.309 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.566 -16.977 8.490 1.00 0.00 H new ATOM 0 HG23 THR A 121 -2.089 -16.388 9.289 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.638 -20.328 11.071 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.031 -21.666 11.525 1.00 0.00 C ATOM 1818 C PRO A 122 -4.227 -22.768 10.843 1.00 0.00 C ATOM 1819 O PRO A 122 -4.359 -22.991 9.640 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.506 -21.756 11.128 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.651 -20.810 9.987 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.683 -19.690 10.253 1.00 0.00 C ATOM 0 HA PRO A 122 -4.854 -21.803 12.592 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -6.776 -22.771 10.837 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.157 -21.478 11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.428 -21.303 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.672 -20.435 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.276 -19.283 9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.159 -18.865 10.782 1.00 0.00 H new ATOM 1830 N GLU A 123 -3.396 -23.455 11.621 1.00 0.00 N ATOM 1831 CA GLU A 123 -2.571 -24.534 11.090 1.00 0.00 C ATOM 1832 C GLU A 123 -3.355 -25.375 10.087 1.00 0.00 C ATOM 1833 O GLU A 123 -2.823 -25.788 9.057 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.061 -25.422 12.227 1.00 0.00 C ATOM 1835 CG GLU A 123 -1.190 -24.685 13.231 1.00 0.00 C ATOM 1836 CD GLU A 123 -0.278 -25.616 14.006 1.00 0.00 C ATOM 1837 OE1 GLU A 123 0.381 -26.466 13.372 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -0.224 -25.494 15.248 1.00 0.00 O ATOM 0 H GLU A 123 -3.276 -23.284 12.619 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.720 -24.087 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -2.914 -25.856 12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.492 -26.249 11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.586 -23.944 12.707 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.827 -24.142 13.929 1.00 0.00 H new ATOM 1845 N ASN A 124 -4.623 -25.625 10.396 1.00 0.00 N ATOM 1846 CA ASN A 124 -5.481 -26.417 9.522 1.00 0.00 C ATOM 1847 C ASN A 124 -5.936 -25.598 8.318 1.00 0.00 C ATOM 1848 O ASN A 124 -6.981 -24.949 8.355 1.00 0.00 O ATOM 1849 CB ASN A 124 -6.699 -26.928 10.295 1.00 0.00 C ATOM 1850 CG ASN A 124 -7.325 -28.148 9.646 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -7.108 -29.278 10.083 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -8.108 -27.923 8.597 1.00 0.00 N ATOM 0 H ASN A 124 -5.079 -25.291 11.245 1.00 0.00 H new ATOM 0 HA ASN A 124 -4.904 -27.269 9.162 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -6.402 -27.174 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.443 -26.134 10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.558 -28.704 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -8.260 -26.969 8.269 1.00 0.00 H new