USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=23 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 106 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 99 SER OG : rot -65:sc= 0.00647 USER MOD Set 2.2: A 118 THR OG1 : rot 180:sc= 0.00618 USER MOD Set 3.1: A 41 ASN : amide:sc= -8.52! C(o=-9!,f=-8.2!) USER MOD Set 3.2: A 44 SER OG : rot 180:sc= -0.448 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0595 X(o=-0.06,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 36 SER OG : rot 180:sc= -0.09 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00459 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 90:sc= -0.221 USER MOD Single : A 57 GLN : amide:sc= -0.0956 X(o=-0.096,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.0561 X(o=0.056,f=-0.055) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 60:sc= -0.418 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -4.48! K(o=-4.5!,f=-2.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -18:sc= 0.562 USER MOD Single : A 83 ASN : amide:sc= -1.05 K(o=-1,f=-4.5!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 125:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0504 USER MOD Single : A 101 GLN : amide:sc= -6.78! C(o=-6.8!,f=-5.7!) USER MOD Single : A 103 SER OG : rot 88:sc= 0.365 USER MOD Single : A 105 MET CE :methyl 177:sc= -1.72 (180deg=-1.76) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -170:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.191 K(o=0.19,f=-1.4!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -160:sc= 0.0942 USER MOD Single : A 124 ASN : amide:sc=-0.000183 X(o=-0.00018,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 1.158 17.306 8.791 1.00 0.00 N ATOM 340 CA VAL A 27 0.792 15.896 8.736 1.00 0.00 C ATOM 341 C VAL A 27 -0.080 15.508 9.925 1.00 0.00 C ATOM 342 O VAL A 27 -0.081 16.165 10.966 1.00 0.00 O ATOM 343 CB VAL A 27 2.039 14.992 8.712 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.544 14.817 7.288 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.128 15.564 9.607 1.00 0.00 C ATOM 0 HA VAL A 27 0.230 15.751 7.813 1.00 0.00 H new ATOM 0 HB VAL A 27 1.763 14.010 9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.425 14.176 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.764 14.360 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.805 15.790 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.002 14.913 9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.404 16.558 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.759 15.632 10.631 1.00 0.00 H new ATOM 355 N PRO A 28 -0.841 14.415 9.769 1.00 0.00 N ATOM 356 CA PRO A 28 -1.732 13.914 10.820 1.00 0.00 C ATOM 357 C PRO A 28 -0.964 13.330 12.002 1.00 0.00 C ATOM 358 O PRO A 28 0.094 12.725 11.828 1.00 0.00 O ATOM 359 CB PRO A 28 -2.536 12.820 10.113 1.00 0.00 C ATOM 360 CG PRO A 28 -1.659 12.368 8.996 1.00 0.00 C ATOM 361 CD PRO A 28 -0.891 13.583 8.555 1.00 0.00 C ATOM 0 HA PRO A 28 -2.347 14.708 11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.769 11.999 10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.485 13.204 9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.984 11.578 9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.250 11.961 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.108 13.322 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.391 14.099 7.735 1.00 0.00 H new ATOM 369 N SER A 29 -1.503 13.516 13.202 1.00 0.00 N ATOM 370 CA SER A 29 -0.866 13.011 14.413 1.00 0.00 C ATOM 371 C SER A 29 -1.828 12.131 15.205 1.00 0.00 C ATOM 372 O SER A 29 -1.799 12.112 16.435 1.00 0.00 O ATOM 373 CB SER A 29 -0.385 14.173 15.284 1.00 0.00 C ATOM 374 OG SER A 29 0.735 13.794 16.065 1.00 0.00 O ATOM 0 H SER A 29 -2.379 14.013 13.362 1.00 0.00 H new ATOM 0 HA SER A 29 -0.007 12.408 14.118 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.122 15.021 14.652 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.194 14.501 15.937 1.00 0.00 H new ATOM 0 HG SER A 29 1.025 14.554 16.612 1.00 0.00 H new ATOM 380 N ALA A 30 -2.679 11.402 14.490 1.00 0.00 N ATOM 381 CA ALA A 30 -3.648 10.517 15.126 1.00 0.00 C ATOM 382 C ALA A 30 -3.820 9.229 14.329 1.00 0.00 C ATOM 383 O ALA A 30 -3.862 9.232 13.098 1.00 0.00 O ATOM 384 CB ALA A 30 -4.986 11.226 15.282 1.00 0.00 C ATOM 0 H ALA A 30 -2.717 11.407 13.471 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.270 10.254 16.114 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.700 10.554 15.758 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.857 12.115 15.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.360 11.517 14.300 1.00 0.00 H new ATOM 390 N PRO A 31 -3.920 8.099 15.044 1.00 0.00 N ATOM 391 CA PRO A 31 -4.089 6.781 14.424 1.00 0.00 C ATOM 392 C PRO A 31 -5.463 6.614 13.783 1.00 0.00 C ATOM 393 O PRO A 31 -6.401 7.360 14.064 1.00 0.00 O ATOM 394 CB PRO A 31 -3.925 5.813 15.598 1.00 0.00 C ATOM 395 CG PRO A 31 -4.304 6.607 16.800 1.00 0.00 C ATOM 396 CD PRO A 31 -3.878 8.020 16.514 1.00 0.00 C ATOM 0 HA PRO A 31 -3.377 6.616 13.616 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.566 4.939 15.483 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.900 5.449 15.671 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.377 6.552 16.981 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.810 6.224 17.693 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.551 8.743 16.975 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.879 8.224 16.899 1.00 0.00 H new ATOM 404 N PRO A 32 -5.587 5.611 12.901 1.00 0.00 N ATOM 405 CA PRO A 32 -6.843 5.322 12.203 1.00 0.00 C ATOM 406 C PRO A 32 -7.910 4.762 13.138 1.00 0.00 C ATOM 407 O PRO A 32 -7.670 4.586 14.332 1.00 0.00 O ATOM 408 CB PRO A 32 -6.438 4.272 11.165 1.00 0.00 C ATOM 409 CG PRO A 32 -5.231 3.615 11.741 1.00 0.00 C ATOM 410 CD PRO A 32 -4.510 4.682 12.518 1.00 0.00 C ATOM 0 HA PRO A 32 -7.286 6.220 11.772 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.239 3.552 10.997 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.217 4.732 10.202 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.511 2.783 12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.595 3.208 10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.004 4.271 13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.750 5.176 11.913 1.00 0.00 H new ATOM 418 N GLN A 33 -9.087 4.485 12.586 1.00 0.00 N ATOM 419 CA GLN A 33 -10.190 3.945 13.372 1.00 0.00 C ATOM 420 C GLN A 33 -10.670 2.617 12.797 1.00 0.00 C ATOM 421 O GLN A 33 -10.436 2.316 11.627 1.00 0.00 O ATOM 422 CB GLN A 33 -11.348 4.943 13.416 1.00 0.00 C ATOM 423 CG GLN A 33 -10.999 6.250 14.110 1.00 0.00 C ATOM 424 CD GLN A 33 -12.223 7.085 14.432 1.00 0.00 C ATOM 425 OE1 GLN A 33 -12.973 6.775 15.358 1.00 0.00 O ATOM 426 NE2 GLN A 33 -12.431 8.151 13.668 1.00 0.00 N ATOM 0 H GLN A 33 -9.301 4.625 11.599 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.829 3.771 14.386 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.671 5.157 12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.193 4.484 13.928 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.458 6.034 15.032 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.328 6.827 13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.783 8.370 12.911 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.238 8.751 13.838 1.00 0.00 H new ATOM 435 N ASN A 34 -11.341 1.826 13.628 1.00 0.00 N ATOM 436 CA ASN A 34 -11.853 0.528 13.201 1.00 0.00 C ATOM 437 C ASN A 34 -10.724 -0.359 12.684 1.00 0.00 C ATOM 438 O ASN A 34 -10.884 -1.071 11.693 1.00 0.00 O ATOM 439 CB ASN A 34 -12.914 0.707 12.114 1.00 0.00 C ATOM 440 CG ASN A 34 -13.952 -0.398 12.131 1.00 0.00 C ATOM 441 OD1 ASN A 34 -13.621 -1.573 12.289 1.00 0.00 O ATOM 442 ND2 ASN A 34 -15.216 -0.026 11.968 1.00 0.00 N ATOM 0 H ASN A 34 -11.543 2.060 14.600 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.306 0.042 14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.409 1.669 12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.430 0.732 11.138 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.958 -0.726 11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.445 0.960 11.840 1.00 0.00 H new ATOM 449 N VAL A 35 -9.583 -0.311 13.364 1.00 0.00 N ATOM 450 CA VAL A 35 -8.427 -1.111 12.976 1.00 0.00 C ATOM 451 C VAL A 35 -8.517 -2.521 13.550 1.00 0.00 C ATOM 452 O VAL A 35 -8.207 -2.746 14.720 1.00 0.00 O ATOM 453 CB VAL A 35 -7.112 -0.461 13.443 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.932 -1.377 13.155 1.00 0.00 C ATOM 455 CG2 VAL A 35 -6.921 0.893 12.776 1.00 0.00 C ATOM 0 H VAL A 35 -9.434 0.274 14.187 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.430 -1.164 11.887 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.166 -0.305 14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.011 -0.901 13.492 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.067 -2.321 13.683 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.871 -1.566 12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.987 1.338 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.887 0.764 11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.752 1.548 13.038 1.00 0.00 H new ATOM 465 N SER A 36 -8.942 -3.467 12.719 1.00 0.00 N ATOM 466 CA SER A 36 -9.075 -4.855 13.144 1.00 0.00 C ATOM 467 C SER A 36 -8.592 -5.806 12.054 1.00 0.00 C ATOM 468 O SER A 36 -8.536 -5.445 10.878 1.00 0.00 O ATOM 469 CB SER A 36 -10.531 -5.164 13.498 1.00 0.00 C ATOM 470 OG SER A 36 -10.707 -6.543 13.775 1.00 0.00 O ATOM 0 H SER A 36 -9.200 -3.297 11.747 1.00 0.00 H new ATOM 0 HA SER A 36 -8.454 -5.000 14.028 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.831 -4.575 14.365 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.179 -4.870 12.673 1.00 0.00 H new ATOM 0 HG SER A 36 -11.645 -6.714 14.000 1.00 0.00 H new ATOM 476 N LEU A 37 -8.242 -7.024 12.453 1.00 0.00 N ATOM 477 CA LEU A 37 -7.763 -8.030 11.512 1.00 0.00 C ATOM 478 C LEU A 37 -8.658 -9.265 11.531 1.00 0.00 C ATOM 479 O LEU A 37 -8.986 -9.788 12.595 1.00 0.00 O ATOM 480 CB LEU A 37 -6.323 -8.424 11.845 1.00 0.00 C ATOM 481 CG LEU A 37 -5.291 -7.297 11.800 1.00 0.00 C ATOM 482 CD1 LEU A 37 -4.020 -7.707 12.529 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.982 -6.915 10.360 1.00 0.00 C ATOM 0 H LEU A 37 -8.281 -7.339 13.422 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.793 -7.599 10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.309 -8.863 12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.011 -9.203 11.150 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.710 -6.426 12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.297 -6.892 12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.254 -7.931 13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.597 -8.592 12.054 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.246 -6.111 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.584 -7.781 9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.895 -6.579 9.869 1.00 0.00 H new ATOM 495 N GLU A 38 -9.047 -9.726 10.346 1.00 0.00 N ATOM 496 CA GLU A 38 -9.903 -10.901 10.228 1.00 0.00 C ATOM 497 C GLU A 38 -9.121 -12.091 9.680 1.00 0.00 C ATOM 498 O GLU A 38 -8.049 -11.928 9.097 1.00 0.00 O ATOM 499 CB GLU A 38 -11.098 -10.599 9.321 1.00 0.00 C ATOM 500 CG GLU A 38 -12.345 -10.176 10.078 1.00 0.00 C ATOM 501 CD GLU A 38 -12.601 -11.028 11.306 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.227 -12.099 11.165 1.00 0.00 O ATOM 503 OE2 GLU A 38 -12.173 -10.624 12.407 1.00 0.00 O ATOM 0 H GLU A 38 -8.783 -9.304 9.455 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.267 -11.156 11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.822 -9.809 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.326 -11.485 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.246 -9.133 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.207 -10.236 9.413 1.00 0.00 H new ATOM 510 N VAL A 39 -9.666 -13.288 9.871 1.00 0.00 N ATOM 511 CA VAL A 39 -9.021 -14.506 9.396 1.00 0.00 C ATOM 512 C VAL A 39 -9.831 -15.158 8.282 1.00 0.00 C ATOM 513 O VAL A 39 -10.764 -15.919 8.541 1.00 0.00 O ATOM 514 CB VAL A 39 -8.828 -15.522 10.538 1.00 0.00 C ATOM 515 CG1 VAL A 39 -8.217 -16.811 10.009 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.966 -14.926 11.640 1.00 0.00 C ATOM 0 H VAL A 39 -10.553 -13.440 10.351 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.044 -14.216 9.009 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.805 -15.758 10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.088 -17.516 10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.877 -17.245 9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.247 -16.596 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.840 -15.657 12.439 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.990 -14.659 11.234 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.450 -14.034 12.038 1.00 0.00 H new ATOM 526 N VAL A 40 -9.469 -14.856 7.039 1.00 0.00 N ATOM 527 CA VAL A 40 -10.162 -15.413 5.883 1.00 0.00 C ATOM 528 C VAL A 40 -9.901 -16.910 5.757 1.00 0.00 C ATOM 529 O VAL A 40 -10.826 -17.697 5.563 1.00 0.00 O ATOM 530 CB VAL A 40 -9.731 -14.716 4.580 1.00 0.00 C ATOM 531 CG1 VAL A 40 -10.533 -15.244 3.400 1.00 0.00 C ATOM 532 CG2 VAL A 40 -9.884 -13.208 4.707 1.00 0.00 C ATOM 0 H VAL A 40 -8.699 -14.228 6.807 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.227 -15.244 6.040 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.679 -14.938 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.214 -14.739 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.367 -16.316 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.593 -15.055 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.575 -12.731 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.927 -12.964 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.260 -12.847 5.525 1.00 0.00 H new ATOM 542 N ASN A 41 -8.634 -17.296 5.867 1.00 0.00 N ATOM 543 CA ASN A 41 -8.251 -18.699 5.765 1.00 0.00 C ATOM 544 C ASN A 41 -6.873 -18.933 6.377 1.00 0.00 C ATOM 545 O ASN A 41 -6.271 -18.021 6.943 1.00 0.00 O ATOM 546 CB ASN A 41 -8.253 -19.145 4.301 1.00 0.00 C ATOM 547 CG ASN A 41 -9.585 -18.893 3.622 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.599 -19.495 3.977 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.589 -18.000 2.640 1.00 0.00 N ATOM 0 H ASN A 41 -7.855 -16.657 6.027 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.980 -19.290 6.319 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.467 -18.616 3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.016 -20.208 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.456 -17.789 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.725 -17.525 2.379 1.00 0.00 H new ATOM 556 N SER A 42 -6.379 -20.161 6.258 1.00 0.00 N ATOM 557 CA SER A 42 -5.074 -20.516 6.802 1.00 0.00 C ATOM 558 C SER A 42 -3.960 -19.774 6.070 1.00 0.00 C ATOM 559 O SER A 42 -2.989 -19.329 6.683 1.00 0.00 O ATOM 560 CB SER A 42 -4.849 -22.026 6.700 1.00 0.00 C ATOM 561 OG SER A 42 -6.028 -22.741 7.028 1.00 0.00 O ATOM 0 H SER A 42 -6.863 -20.927 5.790 1.00 0.00 H new ATOM 0 HA SER A 42 -5.054 -20.223 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.534 -22.282 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.042 -22.323 7.370 1.00 0.00 H new ATOM 0 HG SER A 42 -5.858 -23.703 6.953 1.00 0.00 H new ATOM 567 N ARG A 43 -4.108 -19.645 4.756 1.00 0.00 N ATOM 568 CA ARG A 43 -3.115 -18.958 3.939 1.00 0.00 C ATOM 569 C ARG A 43 -3.693 -17.678 3.343 1.00 0.00 C ATOM 570 O ARG A 43 -3.283 -17.243 2.266 1.00 0.00 O ATOM 571 CB ARG A 43 -2.620 -19.877 2.821 1.00 0.00 C ATOM 572 CG ARG A 43 -3.732 -20.409 1.932 1.00 0.00 C ATOM 573 CD ARG A 43 -3.200 -21.390 0.899 1.00 0.00 C ATOM 574 NE ARG A 43 -3.994 -21.380 -0.326 1.00 0.00 N ATOM 575 CZ ARG A 43 -3.526 -21.762 -1.509 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.274 -22.183 -1.625 1.00 0.00 N ATOM 577 NH2 ARG A 43 -4.310 -21.724 -2.578 1.00 0.00 N ATOM 0 H ARG A 43 -4.906 -20.007 4.234 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.274 -18.692 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.903 -19.333 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.086 -20.718 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.487 -20.900 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.224 -19.578 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.165 -21.141 0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.198 -22.395 1.321 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.962 -21.062 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.668 -22.214 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.917 -22.476 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.274 -21.401 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.949 -22.018 -3.486 1.00 0.00 H new ATOM 591 N SER A 44 -4.647 -17.080 4.049 1.00 0.00 N ATOM 592 CA SER A 44 -5.284 -15.853 3.587 1.00 0.00 C ATOM 593 C SER A 44 -5.755 -15.008 4.767 1.00 0.00 C ATOM 594 O SER A 44 -6.169 -15.539 5.799 1.00 0.00 O ATOM 595 CB SER A 44 -6.468 -16.180 2.675 1.00 0.00 C ATOM 596 OG SER A 44 -6.137 -17.209 1.759 1.00 0.00 O ATOM 0 H SER A 44 -4.996 -17.425 4.943 1.00 0.00 H new ATOM 0 HA SER A 44 -4.547 -15.281 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.322 -16.487 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.768 -15.286 2.129 1.00 0.00 H new ATOM 0 HG SER A 44 -6.911 -17.401 1.189 1.00 0.00 H new ATOM 602 N ILE A 45 -5.689 -13.691 4.608 1.00 0.00 N ATOM 603 CA ILE A 45 -6.110 -12.772 5.658 1.00 0.00 C ATOM 604 C ILE A 45 -6.648 -11.473 5.070 1.00 0.00 C ATOM 605 O ILE A 45 -6.131 -10.969 4.072 1.00 0.00 O ATOM 606 CB ILE A 45 -4.950 -12.446 6.618 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.606 -13.669 7.471 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.311 -11.262 7.502 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.394 -13.469 8.354 1.00 0.00 C ATOM 0 H ILE A 45 -5.348 -13.236 3.761 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.903 -13.271 6.214 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.073 -12.180 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.463 -13.919 8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.431 -14.522 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.482 -11.044 8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.512 -10.390 6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.199 -11.502 8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.210 -14.376 8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.525 -13.249 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.573 -12.637 9.035 1.00 0.00 H new ATOM 621 N LYS A 46 -7.689 -10.934 5.695 1.00 0.00 N ATOM 622 CA LYS A 46 -8.298 -9.690 5.236 1.00 0.00 C ATOM 623 C LYS A 46 -7.985 -8.546 6.194 1.00 0.00 C ATOM 624 O LYS A 46 -8.187 -8.662 7.403 1.00 0.00 O ATOM 625 CB LYS A 46 -9.813 -9.859 5.103 1.00 0.00 C ATOM 626 CG LYS A 46 -10.548 -8.557 4.836 1.00 0.00 C ATOM 627 CD LYS A 46 -10.207 -7.994 3.466 1.00 0.00 C ATOM 628 CE LYS A 46 -11.035 -8.650 2.372 1.00 0.00 C ATOM 629 NZ LYS A 46 -12.373 -8.013 2.232 1.00 0.00 N ATOM 0 H LYS A 46 -8.129 -11.339 6.521 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.879 -9.447 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.023 -10.558 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.202 -10.305 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.623 -8.725 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.290 -7.828 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.381 -6.918 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.147 -8.146 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.501 -8.585 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.159 -9.709 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.907 -8.488 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.893 -8.097 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.256 -7.008 1.993 1.00 0.00 H new ATOM 643 N VAL A 47 -7.492 -7.439 5.646 1.00 0.00 N ATOM 644 CA VAL A 47 -7.153 -6.272 6.452 1.00 0.00 C ATOM 645 C VAL A 47 -7.920 -5.041 5.985 1.00 0.00 C ATOM 646 O VAL A 47 -7.889 -4.688 4.806 1.00 0.00 O ATOM 647 CB VAL A 47 -5.643 -5.973 6.401 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.311 -4.757 7.252 1.00 0.00 C ATOM 649 CG2 VAL A 47 -4.845 -7.186 6.855 1.00 0.00 C ATOM 0 H VAL A 47 -7.319 -7.326 4.647 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.435 -6.504 7.479 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.368 -5.751 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.240 -4.561 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.856 -3.891 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.599 -4.947 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.780 -6.958 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.121 -7.441 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.061 -8.030 6.200 1.00 0.00 H new ATOM 659 N SER A 48 -8.609 -4.390 6.917 1.00 0.00 N ATOM 660 CA SER A 48 -9.387 -3.198 6.600 1.00 0.00 C ATOM 661 C SER A 48 -9.036 -2.052 7.545 1.00 0.00 C ATOM 662 O SER A 48 -8.293 -2.235 8.509 1.00 0.00 O ATOM 663 CB SER A 48 -10.884 -3.503 6.685 1.00 0.00 C ATOM 664 OG SER A 48 -11.289 -3.699 8.029 1.00 0.00 O ATOM 0 H SER A 48 -8.644 -4.668 7.898 1.00 0.00 H new ATOM 0 HA SER A 48 -9.142 -2.895 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.451 -2.682 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.111 -4.394 6.100 1.00 0.00 H new ATOM 0 HG SER A 48 -12.250 -3.891 8.057 1.00 0.00 H new ATOM 670 N TRP A 49 -9.576 -0.873 7.260 1.00 0.00 N ATOM 671 CA TRP A 49 -9.320 0.303 8.083 1.00 0.00 C ATOM 672 C TRP A 49 -10.260 1.444 7.710 1.00 0.00 C ATOM 673 O TRP A 49 -10.761 1.507 6.587 1.00 0.00 O ATOM 674 CB TRP A 49 -7.866 0.753 7.928 1.00 0.00 C ATOM 675 CG TRP A 49 -7.487 1.062 6.512 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.507 2.285 5.906 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.034 0.130 5.523 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.094 2.171 4.600 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.797 0.859 4.342 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.803 -1.248 5.522 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.342 0.254 3.173 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.352 -1.847 4.362 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.124 -1.097 3.200 1.00 0.00 C ATOM 0 H TRP A 49 -10.194 -0.706 6.466 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.501 0.033 9.124 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.700 1.638 8.542 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.209 -0.028 8.310 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.804 3.207 6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.021 2.938 3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.974 -1.834 6.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.167 0.831 2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.172 -2.912 4.350 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.770 -1.594 2.309 1.00 0.00 H new ATOM 694 N LEU A 50 -10.496 2.344 8.658 1.00 0.00 N ATOM 695 CA LEU A 50 -11.377 3.484 8.428 1.00 0.00 C ATOM 696 C LEU A 50 -10.614 4.798 8.564 1.00 0.00 C ATOM 697 O LEU A 50 -9.557 4.869 9.191 1.00 0.00 O ATOM 698 CB LEU A 50 -12.547 3.456 9.413 1.00 0.00 C ATOM 699 CG LEU A 50 -13.734 2.575 9.021 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.504 3.199 7.868 1.00 0.00 C ATOM 701 CD2 LEU A 50 -13.260 1.176 8.654 1.00 0.00 C ATOM 0 H LEU A 50 -10.090 2.307 9.593 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.764 3.414 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.174 3.119 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.906 4.476 9.548 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.404 2.497 9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.345 2.558 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.875 4.179 8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.845 3.307 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.117 0.562 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.570 1.235 7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.753 0.728 9.509 1.00 0.00 H new ATOM 713 N PRO A 51 -11.162 5.866 7.965 1.00 0.00 N ATOM 714 CA PRO A 51 -10.551 7.197 8.007 1.00 0.00 C ATOM 715 C PRO A 51 -10.617 7.821 9.397 1.00 0.00 C ATOM 716 O PRO A 51 -11.539 7.571 10.173 1.00 0.00 O ATOM 717 CB PRO A 51 -11.395 8.006 7.017 1.00 0.00 C ATOM 718 CG PRO A 51 -12.714 7.314 6.991 1.00 0.00 C ATOM 719 CD PRO A 51 -12.421 5.854 7.200 1.00 0.00 C ATOM 0 HA PRO A 51 -9.490 7.167 7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.498 9.042 7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.937 8.023 6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.370 7.696 7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.222 7.478 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.221 5.358 7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.311 5.326 6.253 1.00 0.00 H new ATOM 727 N PRO A 52 -9.617 8.655 9.720 1.00 0.00 N ATOM 728 CA PRO A 52 -9.540 9.333 11.017 1.00 0.00 C ATOM 729 C PRO A 52 -10.614 10.403 11.177 1.00 0.00 C ATOM 730 O PRO A 52 -11.313 10.762 10.229 1.00 0.00 O ATOM 731 CB PRO A 52 -8.148 9.970 11.002 1.00 0.00 C ATOM 732 CG PRO A 52 -7.829 10.149 9.558 1.00 0.00 C ATOM 733 CD PRO A 52 -8.485 9.000 8.844 1.00 0.00 C ATOM 0 HA PRO A 52 -9.700 8.645 11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.143 10.924 11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.415 9.330 11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.206 11.103 9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.752 10.147 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.821 9.286 7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.801 8.160 8.722 1.00 0.00 H new ATOM 741 N PRO A 53 -10.751 10.927 12.404 1.00 0.00 N ATOM 742 CA PRO A 53 -11.738 11.965 12.717 1.00 0.00 C ATOM 743 C PRO A 53 -11.392 13.305 12.077 1.00 0.00 C ATOM 744 O PRO A 53 -10.238 13.733 12.095 1.00 0.00 O ATOM 745 CB PRO A 53 -11.673 12.068 14.243 1.00 0.00 C ATOM 746 CG PRO A 53 -10.304 11.599 14.596 1.00 0.00 C ATOM 747 CD PRO A 53 -9.952 10.547 13.582 1.00 0.00 C ATOM 0 HA PRO A 53 -12.728 11.715 12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.839 13.092 14.578 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.437 11.450 14.714 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.590 12.422 14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.280 11.191 15.606 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.885 10.544 13.360 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.207 9.548 13.935 1.00 0.00 H new ATOM 755 N SER A 54 -12.399 13.963 11.512 1.00 0.00 N ATOM 756 CA SER A 54 -12.201 15.253 10.863 1.00 0.00 C ATOM 757 C SER A 54 -11.212 16.110 11.648 1.00 0.00 C ATOM 758 O SER A 54 -10.225 16.600 11.100 1.00 0.00 O ATOM 759 CB SER A 54 -13.535 15.990 10.725 1.00 0.00 C ATOM 760 OG SER A 54 -14.247 15.547 9.583 1.00 0.00 O ATOM 0 H SER A 54 -13.361 13.624 11.491 1.00 0.00 H new ATOM 0 HA SER A 54 -11.790 15.072 9.870 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.138 15.828 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.356 17.063 10.652 1.00 0.00 H new ATOM 0 HG SER A 54 -15.096 16.032 9.518 1.00 0.00 H new ATOM 766 N GLY A 55 -11.486 16.287 12.937 1.00 0.00 N ATOM 767 CA GLY A 55 -10.613 17.084 13.778 1.00 0.00 C ATOM 768 C GLY A 55 -9.145 16.832 13.494 1.00 0.00 C ATOM 769 O GLY A 55 -8.464 17.675 12.909 1.00 0.00 O ATOM 0 H GLY A 55 -12.297 15.893 13.413 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.833 18.141 13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.821 16.862 14.825 1.00 0.00 H new ATOM 773 N THR A 56 -8.655 15.669 13.910 1.00 0.00 N ATOM 774 CA THR A 56 -7.258 15.309 13.700 1.00 0.00 C ATOM 775 C THR A 56 -6.925 15.241 12.214 1.00 0.00 C ATOM 776 O THR A 56 -5.759 15.310 11.827 1.00 0.00 O ATOM 777 CB THR A 56 -6.923 13.954 14.352 1.00 0.00 C ATOM 778 OG1 THR A 56 -7.447 12.885 13.557 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.495 13.875 15.759 1.00 0.00 C ATOM 0 H THR A 56 -9.205 14.960 14.395 1.00 0.00 H new ATOM 0 HA THR A 56 -6.657 16.088 14.169 1.00 0.00 H new ATOM 0 HB THR A 56 -5.839 13.863 14.412 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.776 12.608 12.898 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.246 12.910 16.199 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.071 14.672 16.369 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.579 13.986 15.718 1.00 0.00 H new ATOM 787 N GLN A 57 -7.957 15.106 11.387 1.00 0.00 N ATOM 788 CA GLN A 57 -7.773 15.029 9.943 1.00 0.00 C ATOM 789 C GLN A 57 -7.820 16.417 9.313 1.00 0.00 C ATOM 790 O GLN A 57 -8.895 16.948 9.037 1.00 0.00 O ATOM 791 CB GLN A 57 -8.846 14.136 9.318 1.00 0.00 C ATOM 792 CG GLN A 57 -8.675 13.938 7.820 1.00 0.00 C ATOM 793 CD GLN A 57 -9.971 13.559 7.130 1.00 0.00 C ATOM 794 OE1 GLN A 57 -10.605 14.387 6.475 1.00 0.00 O ATOM 795 NE2 GLN A 57 -10.372 12.301 7.274 1.00 0.00 N ATOM 0 H GLN A 57 -8.928 15.048 11.692 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.792 14.596 9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.829 13.163 9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.827 14.572 9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.287 14.856 7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.932 13.160 7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.815 11.648 7.826 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.237 11.988 6.833 1.00 0.00 H new ATOM 804 N ASN A 58 -6.646 17.000 9.089 1.00 0.00 N ATOM 805 CA ASN A 58 -6.554 18.328 8.493 1.00 0.00 C ATOM 806 C ASN A 58 -5.892 18.262 7.120 1.00 0.00 C ATOM 807 O ASN A 58 -5.188 19.186 6.713 1.00 0.00 O ATOM 808 CB ASN A 58 -5.765 19.267 9.407 1.00 0.00 C ATOM 809 CG ASN A 58 -4.452 18.661 9.864 1.00 0.00 C ATOM 810 OD1 ASN A 58 -4.347 18.147 10.978 1.00 0.00 O ATOM 811 ND2 ASN A 58 -3.443 18.719 9.003 1.00 0.00 N ATOM 0 H ASN A 58 -5.746 16.574 9.311 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.565 18.716 8.372 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.567 20.201 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.371 19.515 10.279 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.535 18.328 9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.576 19.155 8.090 1.00 0.00 H new ATOM 818 N GLY A 59 -6.124 17.163 6.408 1.00 0.00 N ATOM 819 CA GLY A 59 -5.543 16.997 5.089 1.00 0.00 C ATOM 820 C GLY A 59 -6.315 16.009 4.236 1.00 0.00 C ATOM 821 O GLY A 59 -6.904 15.060 4.753 1.00 0.00 O ATOM 0 H GLY A 59 -6.704 16.385 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.513 17.963 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.512 16.658 5.189 1.00 0.00 H new ATOM 825 N PHE A 60 -6.313 16.233 2.926 1.00 0.00 N ATOM 826 CA PHE A 60 -7.021 15.356 2.000 1.00 0.00 C ATOM 827 C PHE A 60 -6.334 13.997 1.905 1.00 0.00 C ATOM 828 O PHE A 60 -5.245 13.879 1.342 1.00 0.00 O ATOM 829 CB PHE A 60 -7.098 16.000 0.614 1.00 0.00 C ATOM 830 CG PHE A 60 -8.181 15.425 -0.254 1.00 0.00 C ATOM 831 CD1 PHE A 60 -9.515 15.680 0.020 1.00 0.00 C ATOM 832 CD2 PHE A 60 -7.865 14.630 -1.344 1.00 0.00 C ATOM 833 CE1 PHE A 60 -10.514 15.154 -0.777 1.00 0.00 C ATOM 834 CE2 PHE A 60 -8.859 14.100 -2.144 1.00 0.00 C ATOM 835 CZ PHE A 60 -10.185 14.362 -1.860 1.00 0.00 C ATOM 0 H PHE A 60 -5.829 17.014 2.482 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.031 15.206 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.265 17.071 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.138 15.879 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.777 16.297 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.830 14.422 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.550 15.362 -0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.599 13.482 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.964 13.948 -2.484 1.00 0.00 H new ATOM 845 N ILE A 61 -6.977 12.976 2.460 1.00 0.00 N ATOM 846 CA ILE A 61 -6.429 11.625 2.437 1.00 0.00 C ATOM 847 C ILE A 61 -6.469 11.039 1.030 1.00 0.00 C ATOM 848 O ILE A 61 -7.538 10.884 0.440 1.00 0.00 O ATOM 849 CB ILE A 61 -7.194 10.691 3.393 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.179 11.256 4.815 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.590 9.295 3.365 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.165 10.582 5.743 1.00 0.00 C ATOM 0 H ILE A 61 -7.878 13.058 2.931 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.393 11.699 2.767 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.230 10.624 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.175 11.153 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.400 12.323 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.141 8.646 4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.649 8.893 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.546 9.344 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.100 11.033 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.175 10.707 5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.932 9.519 5.812 1.00 0.00 H new ATOM 864 N THR A 62 -5.295 10.713 0.497 1.00 0.00 N ATOM 865 CA THR A 62 -5.195 10.142 -0.840 1.00 0.00 C ATOM 866 C THR A 62 -5.210 8.619 -0.791 1.00 0.00 C ATOM 867 O THR A 62 -5.819 7.966 -1.638 1.00 0.00 O ATOM 868 CB THR A 62 -3.914 10.609 -1.556 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.766 10.292 -0.761 1.00 0.00 O ATOM 870 CG2 THR A 62 -3.956 12.107 -1.819 1.00 0.00 C ATOM 0 H THR A 62 -4.400 10.835 0.971 1.00 0.00 H new ATOM 0 HA THR A 62 -6.063 10.493 -1.398 1.00 0.00 H new ATOM 0 HB THR A 62 -3.849 10.090 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.955 10.590 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.041 12.413 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.815 12.342 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.043 12.640 -0.872 1.00 0.00 H new ATOM 878 N GLY A 63 -4.536 8.057 0.208 1.00 0.00 N ATOM 879 CA GLY A 63 -4.485 6.614 0.349 1.00 0.00 C ATOM 880 C GLY A 63 -4.119 6.181 1.755 1.00 0.00 C ATOM 881 O GLY A 63 -4.270 6.948 2.707 1.00 0.00 O ATOM 0 H GLY A 63 -4.025 8.576 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.454 6.192 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.757 6.209 -0.354 1.00 0.00 H new ATOM 885 N TYR A 64 -3.639 4.950 1.888 1.00 0.00 N ATOM 886 CA TYR A 64 -3.254 4.415 3.189 1.00 0.00 C ATOM 887 C TYR A 64 -2.106 3.420 3.051 1.00 0.00 C ATOM 888 O TYR A 64 -2.023 2.680 2.070 1.00 0.00 O ATOM 889 CB TYR A 64 -4.452 3.740 3.859 1.00 0.00 C ATOM 890 CG TYR A 64 -5.584 4.690 4.176 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.391 5.202 3.168 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.848 5.076 5.485 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.425 6.072 3.452 1.00 0.00 C ATOM 894 CE2 TYR A 64 -6.882 5.944 5.779 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.667 6.439 4.760 1.00 0.00 C ATOM 896 OH TYR A 64 -8.698 7.304 5.048 1.00 0.00 O ATOM 0 H TYR A 64 -3.507 4.303 1.110 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.918 5.245 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.824 2.950 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.120 3.263 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.206 4.914 2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.234 4.691 6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.041 6.463 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.074 6.233 6.802 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.546 6.914 4.748 1.00 0.00 H new ATOM 906 N LYS A 65 -1.222 3.407 4.042 1.00 0.00 N ATOM 907 CA LYS A 65 -0.078 2.502 4.036 1.00 0.00 C ATOM 908 C LYS A 65 -0.344 1.282 4.912 1.00 0.00 C ATOM 909 O LYS A 65 -1.097 1.357 5.884 1.00 0.00 O ATOM 910 CB LYS A 65 1.177 3.230 4.524 1.00 0.00 C ATOM 911 CG LYS A 65 1.930 3.951 3.420 1.00 0.00 C ATOM 912 CD LYS A 65 3.263 4.488 3.913 1.00 0.00 C ATOM 913 CE LYS A 65 3.934 5.363 2.865 1.00 0.00 C ATOM 914 NZ LYS A 65 5.406 5.450 3.074 1.00 0.00 N ATOM 0 H LYS A 65 -1.275 4.013 4.861 1.00 0.00 H new ATOM 0 HA LYS A 65 0.080 2.164 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.893 3.952 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.844 2.509 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.097 3.268 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.323 4.773 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.109 5.064 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.919 3.656 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.731 4.961 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.503 6.364 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.826 6.055 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.600 5.858 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.821 4.498 3.018 1.00 0.00 H new ATOM 928 N ILE A 66 0.278 0.161 4.562 1.00 0.00 N ATOM 929 CA ILE A 66 0.110 -1.073 5.319 1.00 0.00 C ATOM 930 C ILE A 66 1.451 -1.754 5.565 1.00 0.00 C ATOM 931 O ILE A 66 2.067 -2.289 4.642 1.00 0.00 O ATOM 932 CB ILE A 66 -0.826 -2.056 4.591 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.126 -1.355 4.191 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.117 -3.262 5.472 1.00 0.00 C ATOM 935 CD1 ILE A 66 -2.772 -1.940 2.954 1.00 0.00 C ATOM 0 H ILE A 66 0.903 0.082 3.759 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.336 -0.799 6.275 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.330 -2.404 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.831 -1.412 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.922 -0.298 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.780 -3.947 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.184 -3.772 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.596 -2.932 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.688 -1.394 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.085 -1.858 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.008 -2.990 3.129 1.00 0.00 H new ATOM 947 N ARG A 67 1.899 -1.732 6.817 1.00 0.00 N ATOM 948 CA ARG A 67 3.168 -2.348 7.185 1.00 0.00 C ATOM 949 C ARG A 67 2.944 -3.721 7.813 1.00 0.00 C ATOM 950 O ARG A 67 2.253 -3.847 8.825 1.00 0.00 O ATOM 951 CB ARG A 67 3.932 -1.449 8.158 1.00 0.00 C ATOM 952 CG ARG A 67 4.830 -0.433 7.471 1.00 0.00 C ATOM 953 CD ARG A 67 6.092 -1.082 6.927 1.00 0.00 C ATOM 954 NE ARG A 67 7.093 -0.092 6.538 1.00 0.00 N ATOM 955 CZ ARG A 67 7.854 0.564 7.407 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.728 0.337 8.707 1.00 0.00 N ATOM 957 NH2 ARG A 67 8.742 1.450 6.976 1.00 0.00 N ATOM 0 H ARG A 67 1.402 -1.294 7.593 1.00 0.00 H new ATOM 0 HA ARG A 67 3.759 -2.474 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.217 -0.921 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.539 -2.072 8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.285 0.044 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.099 0.352 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.513 -1.745 7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.839 -1.700 6.065 1.00 0.00 H new ATOM 0 HE ARG A 67 7.214 0.106 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.045 -0.343 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.314 0.842 9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.841 1.628 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.326 1.953 7.644 1.00 0.00 H new ATOM 971 N HIS A 68 3.532 -4.747 7.207 1.00 0.00 N ATOM 972 CA HIS A 68 3.396 -6.110 7.706 1.00 0.00 C ATOM 973 C HIS A 68 4.764 -6.716 8.010 1.00 0.00 C ATOM 974 O HIS A 68 5.659 -6.706 7.165 1.00 0.00 O ATOM 975 CB HIS A 68 2.656 -6.978 6.689 1.00 0.00 C ATOM 976 CG HIS A 68 3.514 -7.424 5.545 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.362 -6.949 4.260 1.00 0.00 N ATOM 978 CD2 HIS A 68 4.539 -8.307 5.499 1.00 0.00 C ATOM 979 CE1 HIS A 68 4.255 -7.521 3.472 1.00 0.00 C ATOM 980 NE2 HIS A 68 4.982 -8.349 4.200 1.00 0.00 N ATOM 0 H HIS A 68 4.107 -4.660 6.369 1.00 0.00 H new ATOM 0 HA HIS A 68 2.819 -6.076 8.630 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.256 -7.856 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.805 -6.420 6.298 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.935 -8.873 6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.371 -7.342 2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.748 -8.926 3.854 1.00 0.00 H new ATOM 989 N ARG A 69 4.917 -7.242 9.220 1.00 0.00 N ATOM 990 CA ARG A 69 6.176 -7.850 9.635 1.00 0.00 C ATOM 991 C ARG A 69 5.927 -9.146 10.402 1.00 0.00 C ATOM 992 O ARG A 69 4.887 -9.313 11.039 1.00 0.00 O ATOM 993 CB ARG A 69 6.975 -6.877 10.504 1.00 0.00 C ATOM 994 CG ARG A 69 6.305 -6.552 11.829 1.00 0.00 C ATOM 995 CD ARG A 69 7.221 -5.741 12.732 1.00 0.00 C ATOM 996 NE ARG A 69 6.562 -5.359 13.979 1.00 0.00 N ATOM 997 CZ ARG A 69 7.071 -4.486 14.841 1.00 0.00 C ATOM 998 NH1 ARG A 69 8.237 -3.906 14.593 1.00 0.00 N ATOM 999 NH2 ARG A 69 6.412 -4.190 15.954 1.00 0.00 N ATOM 0 H ARG A 69 4.185 -7.260 9.931 1.00 0.00 H new ATOM 0 HA ARG A 69 6.751 -8.083 8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.960 -7.302 10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.131 -5.952 9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.386 -5.995 11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.022 -7.477 12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.115 -6.322 12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.548 -4.844 12.205 1.00 0.00 H new ATOM 0 HE ARG A 69 5.662 -5.786 14.199 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.746 -4.130 13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.625 -3.236 15.257 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.514 -4.633 16.148 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.804 -3.520 16.616 1.00 0.00 H new ATOM 1013 N LYS A 70 6.888 -10.060 10.335 1.00 0.00 N ATOM 1014 CA LYS A 70 6.775 -11.342 11.022 1.00 0.00 C ATOM 1015 C LYS A 70 7.576 -11.335 12.320 1.00 0.00 C ATOM 1016 O LYS A 70 8.562 -10.608 12.451 1.00 0.00 O ATOM 1017 CB LYS A 70 7.262 -12.474 10.115 1.00 0.00 C ATOM 1018 CG LYS A 70 6.646 -13.823 10.444 1.00 0.00 C ATOM 1019 CD LYS A 70 6.714 -14.771 9.258 1.00 0.00 C ATOM 1020 CE LYS A 70 5.964 -16.065 9.534 1.00 0.00 C ATOM 1021 NZ LYS A 70 6.791 -17.030 10.310 1.00 0.00 N ATOM 0 H LYS A 70 7.755 -9.937 9.812 1.00 0.00 H new ATOM 0 HA LYS A 70 5.725 -11.506 11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.034 -12.222 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.347 -12.550 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.167 -14.264 11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.607 -13.686 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.292 -14.285 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.756 -14.995 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.050 -15.845 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.665 -16.520 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.245 -17.899 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.651 -17.260 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.055 -16.606 11.222 1.00 0.00 H new ATOM 1133 N MET A 77 8.060 -4.448 5.609 1.00 0.00 N ATOM 1134 CA MET A 77 7.644 -4.385 4.212 1.00 0.00 C ATOM 1135 C MET A 77 6.521 -3.370 4.025 1.00 0.00 C ATOM 1136 O MET A 77 5.484 -3.450 4.683 1.00 0.00 O ATOM 1137 CB MET A 77 7.186 -5.763 3.732 1.00 0.00 C ATOM 1138 CG MET A 77 7.419 -5.998 2.248 1.00 0.00 C ATOM 1139 SD MET A 77 6.314 -5.023 1.209 1.00 0.00 S ATOM 1140 CE MET A 77 6.890 -5.484 -0.423 1.00 0.00 C ATOM 0 HA MET A 77 8.500 -4.067 3.617 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.712 -6.530 4.300 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.124 -5.879 3.948 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.452 -5.753 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.281 -7.056 2.026 1.00 0.00 H new ATOM 0 HE1 MET A 77 6.302 -4.961 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 77 7.940 -5.212 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 77 6.778 -6.560 -0.558 1.00 0.00 H new ATOM 1150 N GLU A 78 6.735 -2.416 3.125 1.00 0.00 N ATOM 1151 CA GLU A 78 5.740 -1.385 2.853 1.00 0.00 C ATOM 1152 C GLU A 78 4.800 -1.818 1.732 1.00 0.00 C ATOM 1153 O GLU A 78 5.230 -2.394 0.733 1.00 0.00 O ATOM 1154 CB GLU A 78 6.426 -0.069 2.479 1.00 0.00 C ATOM 1155 CG GLU A 78 5.659 1.165 2.924 1.00 0.00 C ATOM 1156 CD GLU A 78 4.680 1.654 1.875 1.00 0.00 C ATOM 1157 OE1 GLU A 78 5.085 2.464 1.016 1.00 0.00 O ATOM 1158 OE2 GLU A 78 3.508 1.224 1.913 1.00 0.00 O ATOM 0 H GLU A 78 7.588 -2.335 2.572 1.00 0.00 H new ATOM 0 HA GLU A 78 5.152 -1.235 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.421 -0.048 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.560 -0.033 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.118 0.940 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.365 1.962 3.156 1.00 0.00 H new ATOM 1165 N THR A 79 3.512 -1.536 1.906 1.00 0.00 N ATOM 1166 CA THR A 79 2.510 -1.897 0.911 1.00 0.00 C ATOM 1167 C THR A 79 1.244 -1.064 1.079 1.00 0.00 C ATOM 1168 O THR A 79 0.539 -1.184 2.081 1.00 0.00 O ATOM 1169 CB THR A 79 2.144 -3.390 0.998 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.325 -4.192 0.882 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.157 -3.771 -0.095 1.00 0.00 C ATOM 0 H THR A 79 3.139 -1.059 2.727 1.00 0.00 H new ATOM 0 HA THR A 79 2.948 -1.695 -0.066 1.00 0.00 H new ATOM 0 HB THR A 79 1.676 -3.570 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.047 -3.657 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.914 -4.830 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.247 -3.180 0.014 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.602 -3.576 -1.071 1.00 0.00 H new ATOM 1179 N LEU A 80 0.961 -0.221 0.092 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.222 0.632 0.130 1.00 0.00 C ATOM 1181 C LEU A 80 -1.161 0.312 -1.029 1.00 0.00 C ATOM 1182 O LEU A 80 -0.719 0.107 -2.159 1.00 0.00 O ATOM 1183 CB LEU A 80 0.186 2.105 0.080 1.00 0.00 C ATOM 1184 CG LEU A 80 0.733 2.605 -1.257 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -0.405 2.981 -2.193 1.00 0.00 C ATOM 1186 CD2 LEU A 80 1.664 3.790 -1.043 1.00 0.00 C ATOM 0 H LEU A 80 1.534 -0.110 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.750 0.439 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.681 2.711 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.941 2.278 0.846 1.00 0.00 H new ATOM 0 HG LEU A 80 1.304 1.799 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.004 3.335 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.032 2.108 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.004 3.771 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.044 4.133 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.117 4.600 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.499 3.487 -0.410 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.458 0.274 -0.740 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.459 -0.019 -1.759 1.00 0.00 C ATOM 1200 C GLU A 81 -4.409 1.161 -1.943 1.00 0.00 C ATOM 1201 O GLU A 81 -5.327 1.381 -1.152 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.251 -1.272 -1.382 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.123 -1.803 -2.508 1.00 0.00 C ATOM 1204 CD GLU A 81 -4.395 -2.800 -3.389 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -3.717 -2.364 -4.342 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -4.503 -4.016 -3.125 1.00 0.00 O ATOM 0 H GLU A 81 -2.840 0.442 0.191 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.940 -0.196 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.555 -2.052 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.881 -1.048 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.008 -2.277 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.469 -0.969 -3.119 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.185 1.939 -3.012 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.010 3.110 -3.326 1.00 0.00 C ATOM 1215 C PRO A 82 -6.414 2.725 -3.778 1.00 0.00 C ATOM 1216 O PRO A 82 -7.371 3.467 -3.563 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.247 3.786 -4.468 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.468 2.687 -5.106 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.109 1.737 -3.997 1.00 0.00 C ATOM 0 HA PRO A 82 -5.157 3.750 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.929 4.252 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.590 4.572 -4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.057 2.186 -5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.573 3.075 -5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.074 0.705 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.130 1.964 -3.575 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.530 1.559 -4.406 1.00 0.00 N ATOM 1228 CA ASN A 83 -7.818 1.075 -4.889 1.00 0.00 C ATOM 1229 C ASN A 83 -8.910 1.304 -3.848 1.00 0.00 C ATOM 1230 O ASN A 83 -9.822 2.103 -4.055 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.731 -0.413 -5.234 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.523 -0.737 -6.092 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.696 -1.573 -5.727 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -6.416 -0.075 -7.238 1.00 0.00 N ATOM 0 H ASN A 83 -5.747 0.932 -4.592 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.074 1.635 -5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.686 -0.995 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.638 -0.715 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.624 -0.251 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.126 0.609 -7.500 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.809 0.596 -2.727 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.788 0.722 -1.653 1.00 0.00 C ATOM 1243 C ASN A 84 -9.110 0.651 -0.288 1.00 0.00 C ATOM 1244 O ASN A 84 -7.888 0.523 -0.196 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.845 -0.378 -1.767 1.00 0.00 C ATOM 1246 CG ASN A 84 -11.876 -0.080 -2.839 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.741 0.777 -2.662 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -11.788 -0.790 -3.958 1.00 0.00 N ATOM 0 H ASN A 84 -8.060 -0.070 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.272 1.694 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.356 -1.326 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.347 -0.497 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.455 -0.635 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.054 -1.491 -4.061 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.910 0.734 0.769 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.388 0.679 2.130 1.00 0.00 C ATOM 1257 C LEU A 85 -9.380 -0.754 2.652 1.00 0.00 C ATOM 1258 O LEU A 85 -9.759 -1.011 3.795 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.224 1.566 3.054 1.00 0.00 C ATOM 1260 CG LEU A 85 -10.679 2.904 2.469 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -11.977 3.356 3.119 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.596 3.959 2.645 1.00 0.00 C ATOM 0 H LEU A 85 -10.923 0.840 0.710 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.362 1.046 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.108 1.006 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.645 1.765 3.956 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.858 2.771 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.286 4.310 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.752 2.610 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.825 3.473 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.937 4.904 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.385 4.090 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.689 3.639 2.132 1.00 0.00 H new ATOM 1274 N TRP A 86 -8.944 -1.683 1.809 1.00 0.00 N ATOM 1275 CA TRP A 86 -8.884 -3.091 2.187 1.00 0.00 C ATOM 1276 C TRP A 86 -7.826 -3.828 1.375 1.00 0.00 C ATOM 1277 O TRP A 86 -7.590 -3.508 0.210 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.250 -3.751 1.988 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.697 -3.772 0.558 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.494 -2.854 -0.065 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.374 -4.760 -0.427 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.686 -3.212 -1.377 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.009 -4.377 -1.625 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.609 -5.929 -0.414 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -10.902 -5.124 -2.795 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.504 -6.669 -1.576 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.147 -6.264 -2.754 1.00 0.00 C ATOM 0 H TRP A 86 -8.627 -1.487 0.860 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.610 -3.148 3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.210 -4.773 2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -10.992 -3.221 2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -11.912 -1.976 0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.243 -2.694 -2.057 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.109 -6.248 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.398 -4.814 -3.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.916 -7.575 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.044 -6.864 -3.646 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.191 -4.816 1.996 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.156 -5.597 1.331 1.00 0.00 C ATOM 1300 C TYR A 87 -6.267 -7.074 1.698 1.00 0.00 C ATOM 1301 O TYR A 87 -6.209 -7.440 2.873 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.769 -5.070 1.706 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.650 -5.674 0.887 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.384 -7.036 0.938 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -2.859 -4.881 0.065 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.362 -7.592 0.192 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -1.837 -5.429 -0.685 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.592 -6.784 -0.618 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.573 -7.333 -1.362 1.00 0.00 O ATOM 0 H TYR A 87 -7.375 -5.095 2.960 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.297 -5.497 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.755 -3.987 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.586 -5.272 2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.986 -7.671 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.046 -3.819 0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.168 -8.653 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.233 -4.799 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.129 -6.629 -1.879 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.427 -7.918 0.685 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.546 -9.356 0.898 1.00 0.00 C ATOM 1321 C LEU A 88 -5.230 -10.063 0.592 1.00 0.00 C ATOM 1322 O LEU A 88 -4.837 -10.191 -0.568 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.662 -9.931 0.024 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.125 -11.346 0.371 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -6.983 -12.337 0.206 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.675 -11.395 1.789 1.00 0.00 C ATOM 0 H LEU A 88 -6.477 -7.631 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.792 -9.523 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.522 -9.264 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.324 -9.925 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.923 -11.625 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.331 -13.339 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.635 -12.322 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.163 -12.061 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.000 -12.410 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.897 -11.095 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.523 -10.715 1.874 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.552 -10.521 1.639 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.280 -11.217 1.482 1.00 0.00 C ATOM 1340 C PHE A 89 -3.498 -12.718 1.320 1.00 0.00 C ATOM 1341 O PHE A 89 -4.468 -13.276 1.834 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.376 -10.948 2.687 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.946 -9.514 2.805 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -2.775 -8.575 3.398 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -0.713 -9.104 2.324 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -2.382 -7.255 3.508 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -0.315 -7.785 2.431 1.00 0.00 C ATOM 1348 CZ PHE A 89 -1.150 -6.859 3.025 1.00 0.00 C ATOM 0 H PHE A 89 -4.862 -10.423 2.606 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.796 -10.839 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.901 -11.238 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.491 -11.580 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.739 -8.878 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.055 -9.824 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.038 -6.533 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.648 -7.479 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.840 -5.828 3.112 1.00 0.00 H new ATOM 1358 N THR A 90 -2.587 -13.368 0.601 1.00 0.00 N ATOM 1359 CA THR A 90 -2.679 -14.804 0.369 1.00 0.00 C ATOM 1360 C THR A 90 -1.300 -15.415 0.151 1.00 0.00 C ATOM 1361 O THR A 90 -0.397 -14.763 -0.371 1.00 0.00 O ATOM 1362 CB THR A 90 -3.567 -15.121 -0.849 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.167 -14.320 -1.967 1.00 0.00 O ATOM 1364 CG2 THR A 90 -5.032 -14.863 -0.533 1.00 0.00 C ATOM 0 H THR A 90 -1.777 -12.922 0.170 1.00 0.00 H new ATOM 0 HA THR A 90 -3.130 -15.240 1.261 1.00 0.00 H new ATOM 0 HB THR A 90 -3.446 -16.176 -1.095 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.735 -14.528 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.639 -15.094 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.341 -15.494 0.300 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.167 -13.815 -0.264 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.144 -16.673 0.555 1.00 0.00 N ATOM 1373 CA GLY A 91 0.129 -17.351 0.394 1.00 0.00 C ATOM 1374 C GLY A 91 0.869 -17.513 1.707 1.00 0.00 C ATOM 1375 O GLY A 91 2.085 -17.708 1.723 1.00 0.00 O ATOM 0 H GLY A 91 -1.876 -17.234 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.039 -18.333 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.751 -16.789 -0.303 1.00 0.00 H new ATOM 1379 N LEU A 92 0.136 -17.432 2.811 1.00 0.00 N ATOM 1380 CA LEU A 92 0.730 -17.570 4.136 1.00 0.00 C ATOM 1381 C LEU A 92 0.813 -19.037 4.546 1.00 0.00 C ATOM 1382 O LEU A 92 0.304 -19.915 3.849 1.00 0.00 O ATOM 1383 CB LEU A 92 -0.085 -16.787 5.167 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.585 -15.411 4.723 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.586 -14.858 5.725 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.583 -14.452 4.546 1.00 0.00 C ATOM 0 H LEU A 92 -0.871 -17.271 2.815 1.00 0.00 H new ATOM 0 HA LEU A 92 1.741 -17.164 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.947 -17.390 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.525 -16.659 6.061 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.088 -15.520 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.931 -13.879 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.437 -15.535 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.109 -14.763 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.209 -13.478 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.114 -14.347 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.263 -14.843 3.789 1.00 0.00 H new ATOM 1398 N GLU A 93 1.456 -19.294 5.681 1.00 0.00 N ATOM 1399 CA GLU A 93 1.604 -20.655 6.183 1.00 0.00 C ATOM 1400 C GLU A 93 0.757 -20.868 7.434 1.00 0.00 C ATOM 1401 O GLU A 93 0.458 -19.923 8.164 1.00 0.00 O ATOM 1402 CB GLU A 93 3.073 -20.952 6.491 1.00 0.00 C ATOM 1403 CG GLU A 93 3.957 -20.997 5.256 1.00 0.00 C ATOM 1404 CD GLU A 93 5.393 -20.608 5.552 1.00 0.00 C ATOM 1405 OE1 GLU A 93 5.608 -19.793 6.473 1.00 0.00 O ATOM 1406 OE2 GLU A 93 6.300 -21.119 4.863 1.00 0.00 O ATOM 0 H GLU A 93 1.882 -18.578 6.270 1.00 0.00 H new ATOM 0 HA GLU A 93 1.257 -21.340 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.454 -20.191 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.140 -21.908 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.936 -22.002 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.551 -20.326 4.499 1.00 0.00 H new ATOM 1413 N LYS A 94 0.373 -22.117 7.675 1.00 0.00 N ATOM 1414 CA LYS A 94 -0.439 -22.457 8.838 1.00 0.00 C ATOM 1415 C LYS A 94 0.379 -22.356 10.121 1.00 0.00 C ATOM 1416 O LYS A 94 1.606 -22.274 10.082 1.00 0.00 O ATOM 1417 CB LYS A 94 -1.007 -23.871 8.693 1.00 0.00 C ATOM 1418 CG LYS A 94 0.026 -24.966 8.897 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.606 -26.346 8.841 1.00 0.00 C ATOM 1420 CE LYS A 94 0.441 -27.444 8.953 1.00 0.00 C ATOM 1421 NZ LYS A 94 0.845 -27.684 10.366 1.00 0.00 N ATOM 0 H LYS A 94 0.611 -22.911 7.080 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.262 -21.745 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.813 -24.005 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.446 -23.977 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.798 -24.887 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.518 -24.829 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.330 -26.449 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.154 -26.459 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.047 -28.366 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.318 -27.171 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.559 -28.439 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.245 -26.811 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.013 -27.970 10.921 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.309 -22.363 11.259 1.00 0.00 N ATOM 1436 CA GLY A 95 0.370 -22.273 12.538 1.00 0.00 C ATOM 1437 C GLY A 95 1.509 -21.273 12.520 1.00 0.00 C ATOM 1438 O GLY A 95 2.679 -21.653 12.560 1.00 0.00 O ATOM 0 H GLY A 95 -1.325 -22.429 11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.347 -21.988 13.308 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.757 -23.255 12.811 1.00 0.00 H new ATOM 1442 N SER A 96 1.166 -19.990 12.458 1.00 0.00 N ATOM 1443 CA SER A 96 2.169 -18.932 12.429 1.00 0.00 C ATOM 1444 C SER A 96 1.610 -17.637 13.010 1.00 0.00 C ATOM 1445 O SER A 96 0.453 -17.580 13.425 1.00 0.00 O ATOM 1446 CB SER A 96 2.650 -18.695 10.996 1.00 0.00 C ATOM 1447 OG SER A 96 1.752 -17.858 10.288 1.00 0.00 O ATOM 0 H SER A 96 0.202 -19.658 12.427 1.00 0.00 H new ATOM 0 HA SER A 96 3.014 -19.250 13.041 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.640 -18.240 11.012 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.746 -19.650 10.479 1.00 0.00 H new ATOM 0 HG SER A 96 2.239 -17.090 9.923 1.00 0.00 H new ATOM 1453 N GLN A 97 2.440 -16.600 13.036 1.00 0.00 N ATOM 1454 CA GLN A 97 2.029 -15.305 13.567 1.00 0.00 C ATOM 1455 C GLN A 97 2.484 -14.172 12.653 1.00 0.00 C ATOM 1456 O GLN A 97 3.679 -13.997 12.412 1.00 0.00 O ATOM 1457 CB GLN A 97 2.599 -15.103 14.972 1.00 0.00 C ATOM 1458 CG GLN A 97 1.926 -13.979 15.745 1.00 0.00 C ATOM 1459 CD GLN A 97 2.274 -13.996 17.220 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.432 -13.815 17.599 1.00 0.00 O ATOM 1461 NE2 GLN A 97 1.271 -14.215 18.063 1.00 0.00 N ATOM 0 H GLN A 97 3.401 -16.631 12.696 1.00 0.00 H new ATOM 0 HA GLN A 97 0.940 -15.290 13.618 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.497 -16.031 15.534 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.666 -14.893 14.896 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.221 -13.021 15.317 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.845 -14.060 15.630 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.327 -14.360 17.706 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.445 -14.238 19.068 1.00 0.00 H new ATOM 1470 N TYR A 98 1.524 -13.406 12.147 1.00 0.00 N ATOM 1471 CA TYR A 98 1.826 -12.292 11.256 1.00 0.00 C ATOM 1472 C TYR A 98 1.319 -10.976 11.839 1.00 0.00 C ATOM 1473 O TYR A 98 0.222 -10.912 12.394 1.00 0.00 O ATOM 1474 CB TYR A 98 1.201 -12.527 9.880 1.00 0.00 C ATOM 1475 CG TYR A 98 1.969 -13.511 9.027 1.00 0.00 C ATOM 1476 CD1 TYR A 98 3.043 -13.096 8.248 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.622 -14.856 9.000 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.747 -13.991 7.467 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.321 -15.759 8.222 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.382 -15.322 7.457 1.00 0.00 C ATOM 1481 OH TYR A 98 4.082 -16.217 6.681 1.00 0.00 O ATOM 0 H TYR A 98 0.531 -13.536 12.338 1.00 0.00 H new ATOM 0 HA TYR A 98 2.909 -12.229 11.149 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.182 -12.890 10.010 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.135 -11.575 9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.332 -12.055 8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.791 -15.202 9.598 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.579 -13.651 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 98 2.038 -16.801 8.213 1.00 0.00 H new ATOM 0 HH TYR A 98 3.699 -17.113 6.788 1.00 0.00 H new ATOM 1491 N SER A 99 2.126 -9.928 11.708 1.00 0.00 N ATOM 1492 CA SER A 99 1.762 -8.613 12.223 1.00 0.00 C ATOM 1493 C SER A 99 1.377 -7.671 11.087 1.00 0.00 C ATOM 1494 O SER A 99 1.723 -7.904 9.928 1.00 0.00 O ATOM 1495 CB SER A 99 2.921 -8.018 13.025 1.00 0.00 C ATOM 1496 OG SER A 99 3.270 -8.854 14.114 1.00 0.00 O ATOM 0 H SER A 99 3.036 -9.964 11.250 1.00 0.00 H new ATOM 0 HA SER A 99 0.900 -8.733 12.879 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.785 -7.883 12.375 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.643 -7.031 13.395 1.00 0.00 H new ATOM 0 HG SER A 99 2.528 -8.885 14.753 1.00 0.00 H new ATOM 1502 N PHE A 100 0.659 -6.606 11.427 1.00 0.00 N ATOM 1503 CA PHE A 100 0.226 -5.628 10.436 1.00 0.00 C ATOM 1504 C PHE A 100 0.158 -4.230 11.045 1.00 0.00 C ATOM 1505 O PHE A 100 0.333 -4.059 12.251 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.141 -6.017 9.868 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.088 -7.185 8.926 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -0.620 -7.028 7.631 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.506 -8.441 9.335 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -0.571 -8.101 6.762 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.459 -9.519 8.470 1.00 0.00 C ATOM 1512 CZ PHE A 100 -0.990 -9.348 7.182 1.00 0.00 C ATOM 0 H PHE A 100 0.365 -6.398 12.381 1.00 0.00 H new ATOM 0 HA PHE A 100 0.958 -5.618 9.628 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.814 -6.255 10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.567 -5.159 9.347 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.290 -6.055 7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.873 -8.580 10.341 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.205 -7.965 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.788 -10.493 8.801 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.951 -10.188 6.505 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.098 -3.236 10.201 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.188 -1.853 10.656 1.00 0.00 C ATOM 1524 C GLN A 101 -0.896 -0.985 9.621 1.00 0.00 C ATOM 1525 O GLN A 101 -0.689 -1.142 8.417 1.00 0.00 O ATOM 1526 CB GLN A 101 1.207 -1.295 10.938 1.00 0.00 C ATOM 1527 CG GLN A 101 1.225 0.206 11.180 1.00 0.00 C ATOM 1528 CD GLN A 101 2.600 0.813 10.980 1.00 0.00 C ATOM 1529 OE1 GLN A 101 2.829 1.558 10.027 1.00 0.00 O ATOM 1530 NE2 GLN A 101 3.523 0.497 11.880 1.00 0.00 N ATOM 0 H GLN A 101 -0.247 -3.362 9.200 1.00 0.00 H new ATOM 0 HA GLN A 101 -0.771 -1.837 11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.622 -1.800 11.810 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.859 -1.527 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.518 0.688 10.505 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.886 0.411 12.196 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.289 -0.125 12.654 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.466 0.876 11.798 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.733 -0.069 10.097 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.471 0.826 9.213 1.00 0.00 C ATOM 1541 C VAL A 102 -2.276 2.283 9.618 1.00 0.00 C ATOM 1542 O VAL A 102 -2.291 2.616 10.802 1.00 0.00 O ATOM 1543 CB VAL A 102 -3.977 0.500 9.216 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.713 1.373 8.211 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.203 -0.975 8.920 1.00 0.00 C ATOM 0 H VAL A 102 -1.917 0.073 11.090 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.076 0.676 8.208 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.376 0.713 10.208 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.775 1.129 8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.578 2.422 8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.314 1.194 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.272 -1.188 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.790 -1.217 7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.709 -1.579 9.681 1.00 0.00 H new ATOM 1555 N SER A 103 -2.095 3.147 8.625 1.00 0.00 N ATOM 1556 CA SER A 103 -1.894 4.570 8.877 1.00 0.00 C ATOM 1557 C SER A 103 -2.536 5.412 7.779 1.00 0.00 C ATOM 1558 O SER A 103 -2.389 5.121 6.592 1.00 0.00 O ATOM 1559 CB SER A 103 -0.400 4.886 8.971 1.00 0.00 C ATOM 1560 OG SER A 103 -0.184 6.160 9.553 1.00 0.00 O ATOM 0 H SER A 103 -2.083 2.887 7.639 1.00 0.00 H new ATOM 0 HA SER A 103 -2.371 4.817 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.100 4.122 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.044 4.857 7.976 1.00 0.00 H new ATOM 0 HG SER A 103 -0.136 6.070 10.528 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.248 6.458 8.185 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.911 7.345 7.237 1.00 0.00 C ATOM 1568 C ALA A 104 -2.914 8.298 6.587 1.00 0.00 C ATOM 1569 O ALA A 104 -2.192 9.019 7.275 1.00 0.00 O ATOM 1570 CB ALA A 104 -5.017 8.127 7.931 1.00 0.00 C ATOM 0 H ALA A 104 -3.380 6.712 9.164 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.352 6.732 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.504 8.785 7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.750 7.433 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.590 8.723 8.737 1.00 0.00 H new ATOM 1576 N MET A 105 -2.880 8.295 5.259 1.00 0.00 N ATOM 1577 CA MET A 105 -1.971 9.161 4.516 1.00 0.00 C ATOM 1578 C MET A 105 -2.712 10.368 3.949 1.00 0.00 C ATOM 1579 O MET A 105 -3.873 10.268 3.553 1.00 0.00 O ATOM 1580 CB MET A 105 -1.301 8.381 3.383 1.00 0.00 C ATOM 1581 CG MET A 105 0.006 7.721 3.791 1.00 0.00 C ATOM 1582 SD MET A 105 1.038 7.291 2.376 1.00 0.00 S ATOM 1583 CE MET A 105 -0.138 6.407 1.355 1.00 0.00 C ATOM 0 H MET A 105 -3.471 7.703 4.675 1.00 0.00 H new ATOM 0 HA MET A 105 -1.205 9.518 5.204 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.989 7.615 3.024 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.113 9.057 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.558 8.393 4.448 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.210 6.820 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.337 6.122 0.416 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.474 5.512 1.878 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.994 7.049 1.148 1.00 0.00 H new ATOM 1593 N THR A 106 -2.033 11.511 3.914 1.00 0.00 N ATOM 1594 CA THR A 106 -2.626 12.737 3.397 1.00 0.00 C ATOM 1595 C THR A 106 -1.739 13.372 2.333 1.00 0.00 C ATOM 1596 O THR A 106 -0.581 12.989 2.166 1.00 0.00 O ATOM 1597 CB THR A 106 -2.870 13.761 4.522 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.632 14.093 5.160 1.00 0.00 O ATOM 1599 CG2 THR A 106 -3.845 13.210 5.552 1.00 0.00 C ATOM 0 H THR A 106 -1.071 11.612 4.238 1.00 0.00 H new ATOM 0 HA THR A 106 -3.582 12.461 2.952 1.00 0.00 H new ATOM 0 HB THR A 106 -3.302 14.659 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.726 14.946 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.002 13.950 6.337 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.796 12.986 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.436 12.299 5.989 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.289 14.345 1.613 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.546 15.034 0.565 1.00 0.00 C ATOM 1609 C VAL A 107 -0.235 15.598 1.101 1.00 0.00 C ATOM 1610 O VAL A 107 0.657 15.957 0.333 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.373 16.181 -0.047 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -3.544 15.628 -0.844 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -2.857 17.128 1.040 1.00 0.00 C ATOM 0 H VAL A 107 -3.247 14.674 1.737 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.332 14.297 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.734 16.743 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.117 16.452 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.170 14.994 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.186 15.041 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.439 17.932 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.480 16.581 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.999 17.551 1.563 1.00 0.00 H new ATOM 1623 N ASN A 108 -0.125 15.671 2.423 1.00 0.00 N ATOM 1624 CA ASN A 108 1.079 16.191 3.062 1.00 0.00 C ATOM 1625 C ASN A 108 2.096 15.078 3.294 1.00 0.00 C ATOM 1626 O ASN A 108 3.209 15.121 2.771 1.00 0.00 O ATOM 1627 CB ASN A 108 0.726 16.860 4.393 1.00 0.00 C ATOM 1628 CG ASN A 108 -0.228 18.025 4.219 1.00 0.00 C ATOM 1629 OD1 ASN A 108 0.188 19.144 3.918 1.00 0.00 O ATOM 1630 ND2 ASN A 108 -1.517 17.767 4.408 1.00 0.00 N ATOM 0 H ASN A 108 -0.854 15.377 3.073 1.00 0.00 H new ATOM 0 HA ASN A 108 1.523 16.931 2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.278 16.123 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.639 17.210 4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.207 18.511 4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -1.817 16.824 4.656 1.00 0.00 H new ATOM 1637 N GLY A 109 1.705 14.080 4.081 1.00 0.00 N ATOM 1638 CA GLY A 109 2.594 12.969 4.367 1.00 0.00 C ATOM 1639 C GLY A 109 1.875 11.805 5.021 1.00 0.00 C ATOM 1640 O GLY A 109 0.685 11.589 4.787 1.00 0.00 O ATOM 0 H GLY A 109 0.789 14.021 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.058 12.631 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.397 13.309 5.020 1.00 0.00 H new ATOM 1644 N THR A 110 2.598 11.051 5.843 1.00 0.00 N ATOM 1645 CA THR A 110 2.024 9.901 6.530 1.00 0.00 C ATOM 1646 C THR A 110 2.070 10.085 8.042 1.00 0.00 C ATOM 1647 O THR A 110 3.119 10.390 8.609 1.00 0.00 O ATOM 1648 CB THR A 110 2.760 8.600 6.160 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.228 8.669 4.808 1.00 0.00 O ATOM 1650 CG2 THR A 110 1.846 7.395 6.325 1.00 0.00 C ATOM 0 H THR A 110 3.583 11.216 6.049 1.00 0.00 H new ATOM 0 HA THR A 110 0.986 9.826 6.207 1.00 0.00 H new ATOM 0 HB THR A 110 3.610 8.486 6.833 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.696 7.839 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.388 6.488 6.058 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.516 7.328 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.979 7.504 5.674 1.00 0.00 H new ATOM 1658 N GLY A 111 0.925 9.898 8.692 1.00 0.00 N ATOM 1659 CA GLY A 111 0.857 10.048 10.134 1.00 0.00 C ATOM 1660 C GLY A 111 1.526 8.902 10.868 1.00 0.00 C ATOM 1661 O GLY A 111 2.190 8.056 10.268 1.00 0.00 O ATOM 0 H GLY A 111 0.043 9.645 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.332 10.986 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.187 10.112 10.441 1.00 0.00 H new ATOM 1665 N PRO A 112 1.353 8.865 12.197 1.00 0.00 N ATOM 1666 CA PRO A 112 1.938 7.820 13.043 1.00 0.00 C ATOM 1667 C PRO A 112 1.283 6.461 12.821 1.00 0.00 C ATOM 1668 O PRO A 112 0.083 6.358 12.565 1.00 0.00 O ATOM 1669 CB PRO A 112 1.667 8.320 14.464 1.00 0.00 C ATOM 1670 CG PRO A 112 0.471 9.199 14.334 1.00 0.00 C ATOM 1671 CD PRO A 112 0.574 9.840 12.978 1.00 0.00 C ATOM 0 HA PRO A 112 2.995 7.664 12.827 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.477 7.491 15.146 1.00 0.00 H new ATOM 0 HB3 PRO A 112 2.521 8.869 14.860 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.449 8.622 14.424 1.00 0.00 H new ATOM 0 HG3 PRO A 112 0.453 9.952 15.121 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.409 10.012 12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 112 1.075 10.807 13.028 1.00 0.00 H new ATOM 1679 N PRO A 113 2.087 5.392 12.923 1.00 0.00 N ATOM 1680 CA PRO A 113 1.606 4.020 12.738 1.00 0.00 C ATOM 1681 C PRO A 113 0.697 3.566 13.875 1.00 0.00 C ATOM 1682 O PRO A 113 1.054 3.672 15.048 1.00 0.00 O ATOM 1683 CB PRO A 113 2.894 3.192 12.721 1.00 0.00 C ATOM 1684 CG PRO A 113 3.876 4.003 13.493 1.00 0.00 C ATOM 1685 CD PRO A 113 3.527 5.441 13.226 1.00 0.00 C ATOM 0 HA PRO A 113 1.005 3.918 11.835 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.742 2.214 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.239 3.017 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.816 3.778 14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.896 3.784 13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.735 6.072 14.090 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.100 5.845 12.391 1.00 0.00 H new ATOM 1693 N SER A 114 -0.480 3.061 13.520 1.00 0.00 N ATOM 1694 CA SER A 114 -1.442 2.594 14.512 1.00 0.00 C ATOM 1695 C SER A 114 -0.859 1.453 15.339 1.00 0.00 C ATOM 1696 O SER A 114 0.273 1.027 15.118 1.00 0.00 O ATOM 1697 CB SER A 114 -2.731 2.136 13.826 1.00 0.00 C ATOM 1698 OG SER A 114 -2.672 0.758 13.499 1.00 0.00 O ATOM 0 H SER A 114 -0.791 2.965 12.553 1.00 0.00 H new ATOM 0 HA SER A 114 -1.670 3.424 15.181 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.582 2.321 14.482 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.893 2.721 12.921 1.00 0.00 H new ATOM 0 HG SER A 114 -3.432 0.525 12.926 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.643 0.963 16.295 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.205 -0.128 17.157 1.00 0.00 C ATOM 1706 C ASN A 115 -0.759 -1.330 16.330 1.00 0.00 C ATOM 1707 O ASN A 115 -1.356 -1.643 15.300 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.332 -0.539 18.107 1.00 0.00 C ATOM 1709 CG ASN A 115 -3.050 0.657 18.703 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -3.943 1.232 18.081 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -2.661 1.036 19.915 1.00 0.00 N ATOM 0 H ASN A 115 -2.584 1.304 16.491 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.355 0.224 17.742 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.049 -1.159 17.569 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.922 -1.151 18.910 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.107 1.834 20.368 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.916 0.529 20.393 1.00 0.00 H new ATOM 1718 N TRP A 116 0.293 -1.999 16.788 1.00 0.00 N ATOM 1719 CA TRP A 116 0.818 -3.168 16.090 1.00 0.00 C ATOM 1720 C TRP A 116 -0.023 -4.404 16.388 1.00 0.00 C ATOM 1721 O TRP A 116 0.215 -5.106 17.371 1.00 0.00 O ATOM 1722 CB TRP A 116 2.272 -3.416 16.493 1.00 0.00 C ATOM 1723 CG TRP A 116 3.255 -2.613 15.695 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.967 -1.529 16.124 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.633 -2.830 14.331 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.764 -1.059 15.108 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.578 -1.841 13.998 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.265 -3.765 13.360 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 5.158 -1.761 12.735 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.842 -3.685 12.107 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.780 -2.689 11.803 1.00 0.00 C ATOM 0 H TRP A 116 0.799 -1.753 17.639 1.00 0.00 H new ATOM 0 HA TRP A 116 0.773 -2.972 15.019 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.394 -3.180 17.550 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.499 -4.476 16.375 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.912 -1.104 17.115 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.392 -0.258 15.170 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.543 -4.536 13.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.881 -0.994 12.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.565 -4.403 11.349 1.00 0.00 H new ATOM 0 HH2 TRP A 116 5.213 -2.653 10.814 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.008 -4.664 15.535 1.00 0.00 N ATOM 1743 CA TYR A 117 -1.886 -5.815 15.709 1.00 0.00 C ATOM 1744 C TYR A 117 -1.223 -7.088 15.192 1.00 0.00 C ATOM 1745 O TYR A 117 -0.250 -7.036 14.440 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.212 -5.585 14.982 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.067 -4.507 15.608 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.925 -3.176 15.237 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.019 -4.820 16.571 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.703 -2.188 15.807 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -5.803 -3.839 17.146 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.641 -2.524 16.761 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.420 -1.543 17.331 1.00 0.00 O ATOM 0 H TYR A 117 -1.218 -4.093 14.716 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.080 -5.935 16.775 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.007 -5.318 13.945 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.774 -6.519 14.965 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.193 -2.909 14.489 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.148 -5.848 16.875 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.578 -1.158 15.508 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.539 -4.100 17.893 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.030 -1.947 17.983 1.00 0.00 H new ATOM 1763 N THR A 118 -1.760 -8.234 15.601 1.00 0.00 N ATOM 1764 CA THR A 118 -1.222 -9.522 15.182 1.00 0.00 C ATOM 1765 C THR A 118 -2.332 -10.555 15.020 1.00 0.00 C ATOM 1766 O THR A 118 -3.270 -10.601 15.815 1.00 0.00 O ATOM 1767 CB THR A 118 -0.185 -10.053 16.189 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.845 -9.079 16.392 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.431 -11.354 15.696 1.00 0.00 C ATOM 0 H THR A 118 -2.567 -8.296 16.222 1.00 0.00 H new ATOM 0 HA THR A 118 -0.734 -9.363 14.220 1.00 0.00 H new ATOM 0 HB THR A 118 -0.694 -10.245 17.134 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.499 -9.424 17.035 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.160 -11.710 16.424 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.351 -12.102 15.571 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.926 -11.183 14.740 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.218 -11.383 13.987 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.211 -12.417 13.724 1.00 0.00 C ATOM 1779 C ALA A 119 -2.547 -13.771 13.499 1.00 0.00 C ATOM 1780 O ALA A 119 -1.597 -13.885 12.725 1.00 0.00 O ATOM 1781 CB ALA A 119 -4.062 -12.038 12.520 1.00 0.00 C ATOM 0 H ALA A 119 -1.448 -11.358 13.319 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.855 -12.498 14.599 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.799 -12.819 12.335 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.573 -11.096 12.718 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.423 -11.927 11.644 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.053 -14.794 14.181 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.506 -16.140 14.056 1.00 0.00 C ATOM 1789 C GLU A 120 -3.421 -17.022 13.211 1.00 0.00 C ATOM 1790 O GLU A 120 -4.612 -17.153 13.495 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.310 -16.765 15.438 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.077 -16.257 16.167 1.00 0.00 C ATOM 1793 CD GLU A 120 -0.581 -17.227 17.221 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -1.331 -18.164 17.566 1.00 0.00 O ATOM 1795 OE2 GLU A 120 0.558 -17.050 17.701 1.00 0.00 O ATOM 0 H GLU A 120 -3.840 -14.716 14.825 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.539 -16.067 13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.191 -16.563 16.047 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.238 -17.847 15.331 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.282 -16.074 15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.306 -15.301 16.638 1.00 0.00 H new ATOM 1802 N THR A 121 -2.855 -17.626 12.170 1.00 0.00 N ATOM 1803 CA THR A 121 -3.619 -18.494 11.283 1.00 0.00 C ATOM 1804 C THR A 121 -4.135 -19.721 12.025 1.00 0.00 C ATOM 1805 O THR A 121 -3.470 -20.270 12.905 1.00 0.00 O ATOM 1806 CB THR A 121 -2.772 -18.953 10.081 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.709 -19.803 10.527 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.195 -17.758 9.338 1.00 0.00 C ATOM 0 H THR A 121 -1.871 -17.530 11.921 1.00 0.00 H new ATOM 0 HA THR A 121 -4.465 -17.910 10.920 1.00 0.00 H new ATOM 0 HB THR A 121 -3.418 -19.507 9.400 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.003 -19.828 9.848 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.601 -18.107 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.007 -17.129 8.975 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.563 -17.181 10.013 1.00 0.00 H new ATOM 1816 N PRO A 122 -5.348 -20.166 11.664 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.979 -21.335 12.283 1.00 0.00 C ATOM 1818 C PRO A 122 -5.282 -22.638 11.906 1.00 0.00 C ATOM 1819 O PRO A 122 -5.376 -23.095 10.768 1.00 0.00 O ATOM 1820 CB PRO A 122 -7.403 -21.308 11.721 1.00 0.00 C ATOM 1821 CG PRO A 122 -7.286 -20.578 10.428 1.00 0.00 C ATOM 1822 CD PRO A 122 -6.196 -19.561 10.623 1.00 0.00 C ATOM 0 HA PRO A 122 -5.934 -21.294 13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.789 -22.316 11.573 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -8.088 -20.801 12.401 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -7.041 -21.261 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -8.228 -20.095 10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.639 -19.387 9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.597 -18.598 10.940 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.584 -23.230 12.870 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.871 -24.480 12.638 1.00 0.00 C ATOM 1832 C GLU A 123 -4.666 -25.396 11.711 1.00 0.00 C ATOM 1833 O GLU A 123 -4.106 -26.031 10.819 1.00 0.00 O ATOM 1834 CB GLU A 123 -3.598 -25.192 13.965 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.438 -24.598 14.746 1.00 0.00 C ATOM 1836 CD GLU A 123 -1.941 -25.519 15.843 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -1.099 -26.393 15.547 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -2.393 -25.366 16.997 1.00 0.00 O ATOM 0 H GLU A 123 -4.497 -22.864 13.818 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.921 -24.243 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.497 -25.153 14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.392 -26.244 13.768 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.618 -24.379 14.062 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.748 -23.650 15.185 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.975 -25.458 11.932 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.848 -26.297 11.118 1.00 0.00 C ATOM 1847 C ASN A 124 -7.898 -25.454 10.401 1.00 0.00 C ATOM 1848 O ASN A 124 -8.122 -25.612 9.201 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.533 -27.352 11.989 1.00 0.00 C ATOM 1850 CG ASN A 124 -8.676 -28.042 11.269 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -8.577 -28.359 10.084 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -9.769 -28.278 11.986 1.00 0.00 N ATOM 0 H ASN A 124 -6.454 -24.938 12.667 1.00 0.00 H new ATOM 0 HA ASN A 124 -6.235 -26.797 10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -6.799 -28.097 12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.910 -26.881 12.897 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -10.571 -28.740 11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.807 -27.998 12.966 1.00 0.00 H new