USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 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 58 ASN : amide:sc= -1.74! C(o=-0.65!,f=-7.9!) USER MOD Set 1.2: A 106 THR OG1 : rot -164:sc= 1.09 USER MOD Set 1.3: A 108 ASN : amide:sc= 0 X(o=-0.65,f=-0.69) USER MOD Set 2.1: A 101 GLN : amide:sc= -3.85! C(o=-3!,f=-7.9!) USER MOD Set 2.2: A 114 SER OG : rot 31:sc= 0.882 USER MOD Set 3.1: A 99 SER OG : rot 5:sc= 0.925 USER MOD Set 3.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 70 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0) USER MOD Set 4.2: A 98 TYR OH : rot 130:sc= 1.34 USER MOD Set 5.1: A 41 ASN : amide:sc= -5.04! C(o=-6.6!,f=-6.8!) USER MOD Set 5.2: A 44 SER OG : rot 180:sc= -1.61! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.1!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.101 USER MOD Single : A 42 SER OG : rot 180:sc= 0 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= 0.00809 USER MOD Single : A 56 THR OG1 : rot 100:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 64 TYR OH : rot 110:sc= -0.144 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.77 K(o=-2.8,f=-3.7!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 12:sc= 0.822 USER MOD Single : A 83 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.1!) USER MOD Single : A 84 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.29) USER MOD Single : A 87 TYR OH : rot 165:sc= -0.0104 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 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.36! C(o=-1.4!,f=-1.3!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.551 USER MOD Single : A 105 MET CE :methyl -168:sc= -0.253 (180deg=-0.514) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.889 USER MOD Single : A 115 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.2) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0883 X(o=-0.088,f=0) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 0.356 17.205 9.337 1.00 0.00 N ATOM 340 CA VAL A 27 0.101 15.771 9.289 1.00 0.00 C ATOM 341 C VAL A 27 -0.840 15.342 10.410 1.00 0.00 C ATOM 342 O VAL A 27 -0.976 16.016 11.431 1.00 0.00 O ATOM 343 CB VAL A 27 1.408 14.964 9.393 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.048 14.803 8.023 1.00 0.00 C ATOM 345 CG2 VAL A 27 2.370 15.631 10.365 1.00 0.00 C ATOM 0 HA VAL A 27 -0.368 15.565 8.327 1.00 0.00 H new ATOM 0 HB VAL A 27 1.171 13.971 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.970 14.230 8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.361 14.278 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.272 15.786 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.288 15.047 10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.602 16.637 10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.910 15.688 11.351 1.00 0.00 H new ATOM 355 N PRO A 28 -1.505 14.193 10.217 1.00 0.00 N ATOM 356 CA PRO A 28 -2.443 13.648 11.202 1.00 0.00 C ATOM 357 C PRO A 28 -1.739 13.144 12.457 1.00 0.00 C ATOM 358 O PRO A 28 -0.924 12.223 12.396 1.00 0.00 O ATOM 359 CB PRO A 28 -3.104 12.485 10.457 1.00 0.00 C ATOM 360 CG PRO A 28 -2.105 12.079 9.429 1.00 0.00 C ATOM 361 CD PRO A 28 -1.391 13.338 9.024 1.00 0.00 C ATOM 0 HA PRO A 28 -3.147 14.402 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.334 11.661 11.133 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.043 12.792 9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.406 11.347 9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.594 11.615 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.350 13.144 8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.854 13.800 8.152 1.00 0.00 H new ATOM 369 N SER A 29 -2.059 13.753 13.595 1.00 0.00 N ATOM 370 CA SER A 29 -1.453 13.367 14.864 1.00 0.00 C ATOM 371 C SER A 29 -2.283 12.290 15.557 1.00 0.00 C ATOM 372 O SER A 29 -2.061 11.976 16.726 1.00 0.00 O ATOM 373 CB SER A 29 -1.315 14.586 15.778 1.00 0.00 C ATOM 374 OG SER A 29 -0.541 15.601 15.162 1.00 0.00 O ATOM 0 H SER A 29 -2.734 14.515 13.664 1.00 0.00 H new ATOM 0 HA SER A 29 -0.463 12.962 14.657 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.303 14.976 16.021 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.849 14.289 16.718 1.00 0.00 H new ATOM 0 HG SER A 29 -0.469 16.370 15.766 1.00 0.00 H new ATOM 380 N ALA A 30 -3.239 11.727 14.825 1.00 0.00 N ATOM 381 CA ALA A 30 -4.100 10.683 15.367 1.00 0.00 C ATOM 382 C ALA A 30 -4.216 9.510 14.400 1.00 0.00 C ATOM 383 O ALA A 30 -4.308 9.683 13.184 1.00 0.00 O ATOM 384 CB ALA A 30 -5.478 11.247 15.682 1.00 0.00 C ATOM 0 H ALA A 30 -3.437 11.976 13.856 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.649 10.317 16.289 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.111 10.457 16.086 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.384 12.048 16.416 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.927 11.641 14.770 1.00 0.00 H new ATOM 390 N PRO A 31 -4.210 8.286 14.949 1.00 0.00 N ATOM 391 CA PRO A 31 -4.313 7.060 14.152 1.00 0.00 C ATOM 392 C PRO A 31 -5.696 6.884 13.536 1.00 0.00 C ATOM 393 O PRO A 31 -6.645 7.595 13.868 1.00 0.00 O ATOM 394 CB PRO A 31 -4.035 5.951 15.170 1.00 0.00 C ATOM 395 CG PRO A 31 -4.419 6.539 16.484 1.00 0.00 C ATOM 396 CD PRO A 31 -4.102 8.006 16.391 1.00 0.00 C ATOM 0 HA PRO A 31 -3.624 7.064 13.307 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.618 5.057 14.951 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.985 5.657 15.159 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.478 6.381 16.687 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.865 6.071 17.298 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.803 8.606 16.971 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.104 8.227 16.770 1.00 0.00 H new ATOM 404 N PRO A 32 -5.817 5.913 12.618 1.00 0.00 N ATOM 405 CA PRO A 32 -7.082 5.620 11.937 1.00 0.00 C ATOM 406 C PRO A 32 -8.113 4.998 12.873 1.00 0.00 C ATOM 407 O PRO A 32 -7.935 4.992 14.090 1.00 0.00 O ATOM 408 CB PRO A 32 -6.676 4.623 10.849 1.00 0.00 C ATOM 409 CG PRO A 32 -5.441 3.975 11.371 1.00 0.00 C ATOM 410 CD PRO A 32 -4.728 5.027 12.174 1.00 0.00 C ATOM 0 HA PRO A 32 -7.557 6.522 11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.463 3.890 10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.488 5.127 9.901 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.685 3.111 11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.814 3.616 10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.193 4.594 13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.994 5.563 11.572 1.00 0.00 H new ATOM 418 N GLN A 33 -9.189 4.475 12.295 1.00 0.00 N ATOM 419 CA GLN A 33 -10.249 3.851 13.078 1.00 0.00 C ATOM 420 C GLN A 33 -10.651 2.508 12.477 1.00 0.00 C ATOM 421 O GLN A 33 -10.562 2.308 11.267 1.00 0.00 O ATOM 422 CB GLN A 33 -11.466 4.774 13.156 1.00 0.00 C ATOM 423 CG GLN A 33 -11.363 5.827 14.247 1.00 0.00 C ATOM 424 CD GLN A 33 -12.667 6.567 14.470 1.00 0.00 C ATOM 425 OE1 GLN A 33 -13.402 6.281 15.415 1.00 0.00 O ATOM 426 NE2 GLN A 33 -12.961 7.525 13.598 1.00 0.00 N ATOM 0 H GLN A 33 -9.350 4.471 11.288 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.869 3.678 14.085 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.597 5.271 12.195 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.358 4.171 13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.056 5.351 15.178 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.584 6.543 13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.322 7.728 12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.826 8.057 13.697 1.00 0.00 H new ATOM 435 N ASN A 34 -11.094 1.592 13.332 1.00 0.00 N ATOM 436 CA ASN A 34 -11.509 0.267 12.885 1.00 0.00 C ATOM 437 C ASN A 34 -10.314 -0.536 12.381 1.00 0.00 C ATOM 438 O ASN A 34 -10.349 -1.103 11.288 1.00 0.00 O ATOM 439 CB ASN A 34 -12.561 0.385 11.780 1.00 0.00 C ATOM 440 CG ASN A 34 -13.212 -0.945 11.456 1.00 0.00 C ATOM 441 OD1 ASN A 34 -12.572 -1.995 11.526 1.00 0.00 O ATOM 442 ND2 ASN A 34 -14.491 -0.907 11.100 1.00 0.00 N ATOM 0 H ASN A 34 -11.175 1.743 14.338 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.943 -0.257 13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.328 1.096 12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.095 0.787 10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.983 -1.771 10.871 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.982 -0.014 11.056 1.00 0.00 H new ATOM 449 N VAL A 35 -9.257 -0.582 13.185 1.00 0.00 N ATOM 450 CA VAL A 35 -8.051 -1.317 12.823 1.00 0.00 C ATOM 451 C VAL A 35 -8.045 -2.707 13.451 1.00 0.00 C ATOM 452 O VAL A 35 -7.570 -2.891 14.571 1.00 0.00 O ATOM 453 CB VAL A 35 -6.781 -0.563 13.259 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.535 -1.326 12.836 1.00 0.00 C ATOM 455 CG2 VAL A 35 -6.775 0.845 12.685 1.00 0.00 C ATOM 0 H VAL A 35 -9.211 -0.118 14.092 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.053 -1.412 11.737 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.779 -0.487 14.346 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.648 -0.778 13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.537 -2.312 13.300 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.526 -1.435 11.752 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.871 1.364 13.003 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.801 0.794 11.596 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.650 1.388 13.043 1.00 0.00 H new ATOM 465 N SER A 36 -8.576 -3.682 12.721 1.00 0.00 N ATOM 466 CA SER A 36 -8.635 -5.056 13.207 1.00 0.00 C ATOM 467 C SER A 36 -8.175 -6.034 12.130 1.00 0.00 C ATOM 468 O SER A 36 -8.006 -5.662 10.968 1.00 0.00 O ATOM 469 CB SER A 36 -10.057 -5.401 13.652 1.00 0.00 C ATOM 470 OG SER A 36 -10.094 -6.650 14.320 1.00 0.00 O ATOM 0 H SER A 36 -8.972 -3.546 11.791 1.00 0.00 H new ATOM 0 HA SER A 36 -7.964 -5.142 14.061 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.434 -4.620 14.313 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.716 -5.430 12.784 1.00 0.00 H new ATOM 0 HG SER A 36 -11.014 -6.846 14.596 1.00 0.00 H new ATOM 476 N LEU A 37 -7.975 -7.286 12.525 1.00 0.00 N ATOM 477 CA LEU A 37 -7.535 -8.320 11.594 1.00 0.00 C ATOM 478 C LEU A 37 -8.552 -9.454 11.519 1.00 0.00 C ATOM 479 O LEU A 37 -8.967 -9.997 12.542 1.00 0.00 O ATOM 480 CB LEU A 37 -6.172 -8.870 12.019 1.00 0.00 C ATOM 481 CG LEU A 37 -5.055 -7.839 12.189 1.00 0.00 C ATOM 482 CD1 LEU A 37 -3.888 -8.438 12.958 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.595 -7.325 10.833 1.00 0.00 C ATOM 0 H LEU A 37 -8.110 -7.610 13.483 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.447 -7.870 10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.295 -9.401 12.963 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.852 -9.604 11.279 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.446 -6.998 12.761 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.103 -7.690 13.069 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.227 -8.757 13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.496 -9.297 12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.800 -6.592 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.221 -8.157 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.434 -6.857 10.318 1.00 0.00 H new ATOM 495 N GLU A 38 -8.948 -9.807 10.300 1.00 0.00 N ATOM 496 CA GLU A 38 -9.916 -10.878 10.092 1.00 0.00 C ATOM 497 C GLU A 38 -9.263 -12.076 9.408 1.00 0.00 C ATOM 498 O GLU A 38 -8.626 -11.938 8.364 1.00 0.00 O ATOM 499 CB GLU A 38 -11.092 -10.376 9.252 1.00 0.00 C ATOM 500 CG GLU A 38 -12.255 -11.352 9.188 1.00 0.00 C ATOM 501 CD GLU A 38 -13.291 -10.958 8.154 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.861 -9.854 8.275 1.00 0.00 O ATOM 503 OE2 GLU A 38 -13.532 -11.755 7.223 1.00 0.00 O ATOM 0 H GLU A 38 -8.614 -9.368 9.442 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.285 -11.195 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.444 -9.430 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.744 -10.172 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.877 -12.348 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.729 -11.411 10.168 1.00 0.00 H new ATOM 510 N VAL A 39 -9.426 -13.252 10.006 1.00 0.00 N ATOM 511 CA VAL A 39 -8.854 -14.475 9.456 1.00 0.00 C ATOM 512 C VAL A 39 -9.778 -15.093 8.412 1.00 0.00 C ATOM 513 O VAL A 39 -10.861 -15.580 8.736 1.00 0.00 O ATOM 514 CB VAL A 39 -8.580 -15.513 10.561 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.914 -16.750 9.979 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.725 -14.905 11.662 1.00 0.00 C ATOM 0 H VAL A 39 -9.950 -13.383 10.871 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.911 -14.199 8.985 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.533 -15.814 10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.728 -17.472 10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.567 -17.196 9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.968 -16.470 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.541 -15.652 12.434 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.774 -14.574 11.244 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.246 -14.053 12.098 1.00 0.00 H new ATOM 526 N VAL A 40 -9.342 -15.069 7.157 1.00 0.00 N ATOM 527 CA VAL A 40 -10.128 -15.628 6.064 1.00 0.00 C ATOM 528 C VAL A 40 -9.765 -17.088 5.816 1.00 0.00 C ATOM 529 O VAL A 40 -10.625 -17.905 5.490 1.00 0.00 O ATOM 530 CB VAL A 40 -9.925 -14.832 4.761 1.00 0.00 C ATOM 531 CG1 VAL A 40 -10.702 -15.468 3.619 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.338 -13.381 4.955 1.00 0.00 C ATOM 0 H VAL A 40 -8.448 -14.668 6.872 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.174 -15.562 6.362 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.866 -14.854 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.546 -14.891 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.354 -16.490 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.764 -15.480 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.188 -12.833 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.390 -13.337 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.732 -12.932 5.742 1.00 0.00 H new ATOM 542 N ASN A 41 -8.485 -17.409 5.973 1.00 0.00 N ATOM 543 CA ASN A 41 -8.007 -18.771 5.767 1.00 0.00 C ATOM 544 C ASN A 41 -6.634 -18.968 6.402 1.00 0.00 C ATOM 545 O ASN A 41 -6.046 -18.028 6.937 1.00 0.00 O ATOM 546 CB ASN A 41 -7.939 -19.088 4.271 1.00 0.00 C ATOM 547 CG ASN A 41 -9.313 -19.151 3.631 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.208 -19.839 4.122 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.485 -18.430 2.529 1.00 0.00 N ATOM 0 H ASN A 41 -7.760 -16.744 6.242 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.710 -19.453 6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.341 -18.328 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.430 -20.041 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.388 -18.432 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.714 -17.874 2.158 1.00 0.00 H new ATOM 556 N SER A 42 -6.129 -20.196 6.338 1.00 0.00 N ATOM 557 CA SER A 42 -4.827 -20.518 6.910 1.00 0.00 C ATOM 558 C SER A 42 -3.703 -19.915 6.074 1.00 0.00 C ATOM 559 O SER A 42 -2.546 -19.891 6.495 1.00 0.00 O ATOM 560 CB SER A 42 -4.650 -22.034 7.007 1.00 0.00 C ATOM 561 OG SER A 42 -4.482 -22.611 5.724 1.00 0.00 O ATOM 0 H SER A 42 -6.602 -20.984 5.896 1.00 0.00 H new ATOM 0 HA SER A 42 -4.781 -20.090 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.784 -22.263 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.519 -22.474 7.496 1.00 0.00 H new ATOM 0 HG SER A 42 -4.369 -23.580 5.813 1.00 0.00 H new ATOM 567 N ARG A 43 -4.051 -19.431 4.886 1.00 0.00 N ATOM 568 CA ARG A 43 -3.072 -18.829 3.989 1.00 0.00 C ATOM 569 C ARG A 43 -3.564 -17.480 3.474 1.00 0.00 C ATOM 570 O ARG A 43 -2.881 -16.816 2.694 1.00 0.00 O ATOM 571 CB ARG A 43 -2.786 -19.763 2.812 1.00 0.00 C ATOM 572 CG ARG A 43 -4.024 -20.124 2.007 1.00 0.00 C ATOM 573 CD ARG A 43 -3.672 -20.968 0.792 1.00 0.00 C ATOM 574 NE ARG A 43 -4.817 -21.733 0.305 1.00 0.00 N ATOM 575 CZ ARG A 43 -5.373 -22.733 0.979 1.00 0.00 C ATOM 576 NH1 ARG A 43 -4.891 -23.088 2.162 1.00 0.00 N ATOM 577 NH2 ARG A 43 -6.413 -23.381 0.470 1.00 0.00 N ATOM 0 H ARG A 43 -5.004 -19.444 4.522 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.151 -18.670 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.059 -19.290 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.328 -20.678 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.724 -20.669 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.528 -19.213 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.304 -20.321 -0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.862 -21.651 1.048 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.211 -21.486 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.091 -22.593 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.320 -23.856 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.786 -23.111 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.839 -24.149 0.989 1.00 0.00 H new ATOM 591 N SER A 44 -4.752 -17.081 3.915 1.00 0.00 N ATOM 592 CA SER A 44 -5.338 -15.813 3.496 1.00 0.00 C ATOM 593 C SER A 44 -5.841 -15.022 4.700 1.00 0.00 C ATOM 594 O SER A 44 -6.238 -15.599 5.713 1.00 0.00 O ATOM 595 CB SER A 44 -6.486 -16.056 2.515 1.00 0.00 C ATOM 596 OG SER A 44 -6.137 -17.041 1.556 1.00 0.00 O ATOM 0 H SER A 44 -5.328 -17.618 4.563 1.00 0.00 H new ATOM 0 HA SER A 44 -4.563 -15.230 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.374 -16.374 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.739 -15.125 2.009 1.00 0.00 H new ATOM 0 HG SER A 44 -6.888 -17.180 0.941 1.00 0.00 H new ATOM 602 N ILE A 45 -5.822 -13.699 4.580 1.00 0.00 N ATOM 603 CA ILE A 45 -6.278 -12.829 5.657 1.00 0.00 C ATOM 604 C ILE A 45 -6.782 -11.497 5.112 1.00 0.00 C ATOM 605 O ILE A 45 -6.159 -10.896 4.237 1.00 0.00 O ATOM 606 CB ILE A 45 -5.156 -12.561 6.678 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.680 -13.875 7.302 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.638 -11.601 7.755 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.514 -13.706 8.250 1.00 0.00 C ATOM 0 H ILE A 45 -5.496 -13.206 3.748 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.096 -13.348 6.156 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.315 -12.101 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.510 -14.335 7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.394 -14.563 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.834 -11.422 8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.933 -10.657 7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.493 -12.035 8.273 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.230 -14.678 8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.669 -13.275 7.714 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.802 -13.043 9.066 1.00 0.00 H new ATOM 621 N LYS A 46 -7.914 -11.040 5.636 1.00 0.00 N ATOM 622 CA LYS A 46 -8.503 -9.777 5.205 1.00 0.00 C ATOM 623 C LYS A 46 -8.127 -8.649 6.160 1.00 0.00 C ATOM 624 O LYS A 46 -8.177 -8.811 7.380 1.00 0.00 O ATOM 625 CB LYS A 46 -10.025 -9.903 5.121 1.00 0.00 C ATOM 626 CG LYS A 46 -10.725 -8.600 4.772 1.00 0.00 C ATOM 627 CD LYS A 46 -10.804 -8.395 3.269 1.00 0.00 C ATOM 628 CE LYS A 46 -11.635 -7.171 2.916 1.00 0.00 C ATOM 629 NZ LYS A 46 -13.095 -7.466 2.943 1.00 0.00 N ATOM 0 H LYS A 46 -8.443 -11.526 6.361 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.110 -9.539 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.278 -10.654 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.405 -10.265 6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.730 -8.602 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.191 -7.766 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.799 -8.283 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.240 -9.279 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.414 -6.367 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.355 -6.815 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.627 -6.607 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.310 -8.216 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.368 -7.781 3.896 1.00 0.00 H new ATOM 643 N VAL A 47 -7.753 -7.504 5.598 1.00 0.00 N ATOM 644 CA VAL A 47 -7.372 -6.347 6.400 1.00 0.00 C ATOM 645 C VAL A 47 -8.178 -5.115 6.005 1.00 0.00 C ATOM 646 O VAL A 47 -8.103 -4.649 4.869 1.00 0.00 O ATOM 647 CB VAL A 47 -5.871 -6.033 6.254 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.474 -4.885 7.170 1.00 0.00 C ATOM 649 CG2 VAL A 47 -5.037 -7.271 6.545 1.00 0.00 C ATOM 0 H VAL A 47 -7.706 -7.353 4.590 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.584 -6.599 7.439 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.680 -5.728 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.410 -4.677 7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.048 -3.996 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.679 -5.158 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.979 -7.031 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.230 -7.609 7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.303 -8.062 5.844 1.00 0.00 H new ATOM 659 N SER A 48 -8.951 -4.592 6.952 1.00 0.00 N ATOM 660 CA SER A 48 -9.775 -3.416 6.703 1.00 0.00 C ATOM 661 C SER A 48 -9.352 -2.256 7.599 1.00 0.00 C ATOM 662 O SER A 48 -8.609 -2.441 8.563 1.00 0.00 O ATOM 663 CB SER A 48 -11.252 -3.742 6.936 1.00 0.00 C ATOM 664 OG SER A 48 -11.453 -4.301 8.223 1.00 0.00 O ATOM 0 H SER A 48 -9.023 -4.965 7.899 1.00 0.00 H new ATOM 0 HA SER A 48 -9.635 -3.120 5.663 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.849 -2.836 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.598 -4.441 6.174 1.00 0.00 H new ATOM 0 HG SER A 48 -12.405 -4.499 8.349 1.00 0.00 H new ATOM 670 N TRP A 49 -9.830 -1.060 7.274 1.00 0.00 N ATOM 671 CA TRP A 49 -9.501 0.131 8.049 1.00 0.00 C ATOM 672 C TRP A 49 -10.381 1.306 7.640 1.00 0.00 C ATOM 673 O TRP A 49 -10.780 1.422 6.480 1.00 0.00 O ATOM 674 CB TRP A 49 -8.027 0.493 7.866 1.00 0.00 C ATOM 675 CG TRP A 49 -7.654 0.763 6.439 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.671 1.970 5.802 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.211 -0.197 5.473 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.266 1.820 4.498 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.977 0.500 4.272 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.988 -1.576 5.507 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.532 -0.138 3.117 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.547 -2.207 4.360 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.322 -1.488 3.178 1.00 0.00 C ATOM 0 H TRP A 49 -10.446 -0.889 6.479 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.685 -0.088 9.101 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.799 1.374 8.466 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.410 -0.321 8.247 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.960 2.906 6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.192 2.569 3.810 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.157 -2.138 6.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.359 0.414 2.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.373 -3.273 4.374 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.976 -2.010 2.298 1.00 0.00 H new ATOM 694 N LEU A 50 -10.681 2.178 8.597 1.00 0.00 N ATOM 695 CA LEU A 50 -11.514 3.346 8.335 1.00 0.00 C ATOM 696 C LEU A 50 -10.713 4.634 8.498 1.00 0.00 C ATOM 697 O LEU A 50 -9.691 4.675 9.184 1.00 0.00 O ATOM 698 CB LEU A 50 -12.719 3.359 9.277 1.00 0.00 C ATOM 699 CG LEU A 50 -13.880 2.440 8.894 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.767 3.107 7.853 1.00 0.00 C ATOM 701 CD2 LEU A 50 -13.358 1.108 8.377 1.00 0.00 C ATOM 0 H LEU A 50 -10.359 2.098 9.562 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.866 3.287 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.378 3.084 10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.095 4.380 9.339 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.478 2.252 9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.588 2.439 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.170 4.035 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.180 3.326 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.198 0.467 8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.736 1.277 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.765 0.624 9.153 1.00 0.00 H new ATOM 713 N PRO A 51 -11.186 5.711 7.855 1.00 0.00 N ATOM 714 CA PRO A 51 -10.531 7.021 7.916 1.00 0.00 C ATOM 715 C PRO A 51 -10.653 7.667 9.292 1.00 0.00 C ATOM 716 O PRO A 51 -11.535 7.335 10.084 1.00 0.00 O ATOM 717 CB PRO A 51 -11.286 7.845 6.870 1.00 0.00 C ATOM 718 CG PRO A 51 -12.626 7.200 6.776 1.00 0.00 C ATOM 719 CD PRO A 51 -12.399 5.734 7.020 1.00 0.00 C ATOM 0 HA PRO A 51 -9.459 6.949 7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.369 8.889 7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.772 7.832 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.312 7.617 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.072 7.368 5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.246 5.276 7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.255 5.189 6.087 1.00 0.00 H new ATOM 727 N PRO A 52 -9.748 8.612 9.585 1.00 0.00 N ATOM 728 CA PRO A 52 -9.734 9.325 10.866 1.00 0.00 C ATOM 729 C PRO A 52 -10.918 10.275 11.013 1.00 0.00 C ATOM 730 O PRO A 52 -11.661 10.532 10.066 1.00 0.00 O ATOM 731 CB PRO A 52 -8.421 10.111 10.821 1.00 0.00 C ATOM 732 CG PRO A 52 -8.136 10.289 9.369 1.00 0.00 C ATOM 733 CD PRO A 52 -8.668 9.059 8.689 1.00 0.00 C ATOM 0 HA PRO A 52 -9.809 8.643 11.713 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.517 11.072 11.326 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.617 9.568 11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.618 11.187 8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.066 10.401 9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.042 9.283 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.897 8.296 8.578 1.00 0.00 H new ATOM 741 N PRO A 53 -11.101 10.810 12.230 1.00 0.00 N ATOM 742 CA PRO A 53 -12.193 11.740 12.530 1.00 0.00 C ATOM 743 C PRO A 53 -12.003 13.094 11.855 1.00 0.00 C ATOM 744 O PRO A 53 -10.930 13.693 11.936 1.00 0.00 O ATOM 745 CB PRO A 53 -12.126 11.887 14.052 1.00 0.00 C ATOM 746 CG PRO A 53 -10.711 11.580 14.400 1.00 0.00 C ATOM 747 CD PRO A 53 -10.255 10.548 13.406 1.00 0.00 C ATOM 0 HA PRO A 53 -13.152 11.373 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.401 12.894 14.365 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.813 11.201 14.547 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.092 12.476 14.344 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.633 11.201 15.419 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.196 10.656 13.171 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.396 9.536 13.785 1.00 0.00 H new ATOM 755 N SER A 54 -13.050 13.572 11.190 1.00 0.00 N ATOM 756 CA SER A 54 -12.996 14.854 10.498 1.00 0.00 C ATOM 757 C SER A 54 -12.183 15.868 11.297 1.00 0.00 C ATOM 758 O SER A 54 -11.509 16.726 10.728 1.00 0.00 O ATOM 759 CB SER A 54 -14.410 15.390 10.262 1.00 0.00 C ATOM 760 OG SER A 54 -15.240 14.400 9.681 1.00 0.00 O ATOM 0 H SER A 54 -13.946 13.090 11.116 1.00 0.00 H new ATOM 0 HA SER A 54 -12.508 14.700 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.840 15.720 11.208 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.368 16.262 9.610 1.00 0.00 H new ATOM 0 HG SER A 54 -16.138 14.767 9.542 1.00 0.00 H new ATOM 766 N GLY A 55 -12.251 15.763 12.620 1.00 0.00 N ATOM 767 CA GLY A 55 -11.517 16.676 13.476 1.00 0.00 C ATOM 768 C GLY A 55 -10.024 16.640 13.217 1.00 0.00 C ATOM 769 O GLY A 55 -9.482 17.516 12.542 1.00 0.00 O ATOM 0 H GLY A 55 -12.802 15.061 13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.885 17.690 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.708 16.424 14.519 1.00 0.00 H new ATOM 773 N THR A 56 -9.355 15.625 13.756 1.00 0.00 N ATOM 774 CA THR A 56 -7.916 15.480 13.582 1.00 0.00 C ATOM 775 C THR A 56 -7.545 15.403 12.105 1.00 0.00 C ATOM 776 O THR A 56 -6.427 15.741 11.718 1.00 0.00 O ATOM 777 CB THR A 56 -7.387 14.224 14.298 1.00 0.00 C ATOM 778 OG1 THR A 56 -7.717 13.053 13.543 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.972 14.112 15.698 1.00 0.00 C ATOM 0 H THR A 56 -9.788 14.891 14.317 1.00 0.00 H new ATOM 0 HA THR A 56 -7.454 16.363 14.024 1.00 0.00 H new ATOM 0 HB THR A 56 -6.303 14.309 14.380 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.936 12.767 13.025 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.584 13.217 16.184 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.694 14.991 16.280 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.058 14.048 15.634 1.00 0.00 H new ATOM 787 N GLN A 57 -8.491 14.957 11.285 1.00 0.00 N ATOM 788 CA GLN A 57 -8.263 14.836 9.850 1.00 0.00 C ATOM 789 C GLN A 57 -7.386 15.974 9.341 1.00 0.00 C ATOM 790 O GLN A 57 -7.880 17.050 9.007 1.00 0.00 O ATOM 791 CB GLN A 57 -9.595 14.827 9.099 1.00 0.00 C ATOM 792 CG GLN A 57 -9.559 14.033 7.804 1.00 0.00 C ATOM 793 CD GLN A 57 -10.909 13.446 7.440 1.00 0.00 C ATOM 794 OE1 GLN A 57 -11.844 14.173 7.105 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.017 12.124 7.505 1.00 0.00 N ATOM 0 H GLN A 57 -9.422 14.674 11.590 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.746 13.894 9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.366 14.412 9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.884 15.854 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.219 14.680 6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.830 13.228 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.215 11.560 7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.901 11.673 7.272 1.00 0.00 H new ATOM 804 N ASN A 58 -6.080 15.729 9.284 1.00 0.00 N ATOM 805 CA ASN A 58 -5.134 16.735 8.815 1.00 0.00 C ATOM 806 C ASN A 58 -5.499 17.215 7.414 1.00 0.00 C ATOM 807 O ASN A 58 -5.469 18.412 7.129 1.00 0.00 O ATOM 808 CB ASN A 58 -3.713 16.168 8.818 1.00 0.00 C ATOM 809 CG ASN A 58 -2.841 16.788 7.743 1.00 0.00 C ATOM 810 OD1 ASN A 58 -2.118 16.087 7.034 1.00 0.00 O ATOM 811 ND2 ASN A 58 -2.906 18.108 7.617 1.00 0.00 N ATOM 0 H ASN A 58 -5.654 14.843 9.557 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.181 17.586 9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.259 16.339 9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.755 15.089 8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.343 18.581 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.519 18.649 8.227 1.00 0.00 H new ATOM 818 N GLY A 59 -5.845 16.273 6.542 1.00 0.00 N ATOM 819 CA GLY A 59 -6.211 16.619 5.182 1.00 0.00 C ATOM 820 C GLY A 59 -7.003 15.522 4.498 1.00 0.00 C ATOM 821 O GLY A 59 -7.415 14.553 5.136 1.00 0.00 O ATOM 0 H GLY A 59 -5.878 15.276 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.799 17.537 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.308 16.824 4.607 1.00 0.00 H new ATOM 825 N PHE A 60 -7.218 15.674 3.195 1.00 0.00 N ATOM 826 CA PHE A 60 -7.969 14.690 2.424 1.00 0.00 C ATOM 827 C PHE A 60 -7.149 13.419 2.220 1.00 0.00 C ATOM 828 O PHE A 60 -6.323 13.341 1.309 1.00 0.00 O ATOM 829 CB PHE A 60 -8.373 15.273 1.069 1.00 0.00 C ATOM 830 CG PHE A 60 -9.291 14.381 0.282 1.00 0.00 C ATOM 831 CD1 PHE A 60 -10.595 14.167 0.698 1.00 0.00 C ATOM 832 CD2 PHE A 60 -8.849 13.757 -0.873 1.00 0.00 C ATOM 833 CE1 PHE A 60 -11.442 13.347 -0.023 1.00 0.00 C ATOM 834 CE2 PHE A 60 -9.692 12.936 -1.599 1.00 0.00 C ATOM 835 CZ PHE A 60 -10.990 12.730 -1.173 1.00 0.00 C ATOM 0 H PHE A 60 -6.883 16.469 2.651 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.869 14.435 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.861 16.235 1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.474 15.465 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.954 14.647 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.835 13.913 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.456 13.189 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.336 12.456 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.650 12.088 -1.738 1.00 0.00 H new ATOM 845 N ILE A 61 -7.382 12.428 3.073 1.00 0.00 N ATOM 846 CA ILE A 61 -6.666 11.161 2.986 1.00 0.00 C ATOM 847 C ILE A 61 -6.540 10.699 1.538 1.00 0.00 C ATOM 848 O ILE A 61 -7.531 10.345 0.899 1.00 0.00 O ATOM 849 CB ILE A 61 -7.367 10.061 3.805 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.236 10.347 5.302 1.00 0.00 C ATOM 851 CG2 ILE A 61 -6.784 8.697 3.467 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.230 11.366 5.812 1.00 0.00 C ATOM 0 H ILE A 61 -8.061 12.478 3.833 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.671 11.332 3.398 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.426 10.056 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.367 9.416 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.226 10.701 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.289 7.930 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.925 8.494 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.719 8.689 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.079 11.519 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.085 12.310 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.243 11.005 5.637 1.00 0.00 H new ATOM 864 N THR A 62 -5.313 10.704 1.026 1.00 0.00 N ATOM 865 CA THR A 62 -5.056 10.285 -0.346 1.00 0.00 C ATOM 866 C THR A 62 -4.910 8.771 -0.441 1.00 0.00 C ATOM 867 O THR A 62 -5.500 8.133 -1.312 1.00 0.00 O ATOM 868 CB THR A 62 -3.785 10.949 -0.908 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.664 10.650 -0.067 1.00 0.00 O ATOM 870 CG2 THR A 62 -3.961 12.457 -1.009 1.00 0.00 C ATOM 0 H THR A 62 -4.482 10.994 1.541 1.00 0.00 H new ATOM 0 HA THR A 62 -5.914 10.602 -0.939 1.00 0.00 H new ATOM 0 HB THR A 62 -3.606 10.552 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.859 11.074 -0.432 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.050 12.904 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.797 12.682 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.162 12.867 -0.019 1.00 0.00 H new ATOM 878 N GLY A 63 -4.119 8.200 0.463 1.00 0.00 N ATOM 879 CA GLY A 63 -3.909 6.764 0.464 1.00 0.00 C ATOM 880 C GLY A 63 -3.631 6.220 1.851 1.00 0.00 C ATOM 881 O GLY A 63 -3.601 6.972 2.826 1.00 0.00 O ATOM 0 H GLY A 63 -3.620 8.706 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.790 6.271 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.073 6.522 -0.192 1.00 0.00 H new ATOM 885 N TYR A 64 -3.429 4.910 1.941 1.00 0.00 N ATOM 886 CA TYR A 64 -3.156 4.265 3.220 1.00 0.00 C ATOM 887 C TYR A 64 -1.893 3.413 3.142 1.00 0.00 C ATOM 888 O TYR A 64 -1.590 2.824 2.104 1.00 0.00 O ATOM 889 CB TYR A 64 -4.344 3.399 3.643 1.00 0.00 C ATOM 890 CG TYR A 64 -5.541 4.198 4.106 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.336 4.886 3.197 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.878 4.265 5.452 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.430 5.618 3.616 1.00 0.00 C ATOM 894 CE2 TYR A 64 -6.971 4.993 5.880 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.744 5.668 4.958 1.00 0.00 C ATOM 896 OH TYR A 64 -8.834 6.395 5.379 1.00 0.00 O ATOM 0 H TYR A 64 -3.449 4.274 1.144 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.001 5.045 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.641 2.769 2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.030 2.733 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.094 4.848 2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.275 3.738 6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.036 6.148 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.219 5.034 6.930 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.536 5.784 5.685 1.00 0.00 H new ATOM 906 N LYS A 65 -1.160 3.350 4.248 1.00 0.00 N ATOM 907 CA LYS A 65 0.070 2.569 4.309 1.00 0.00 C ATOM 908 C LYS A 65 -0.128 1.307 5.143 1.00 0.00 C ATOM 909 O LYS A 65 -0.527 1.377 6.306 1.00 0.00 O ATOM 910 CB LYS A 65 1.205 3.410 4.897 1.00 0.00 C ATOM 911 CG LYS A 65 2.580 3.020 4.385 1.00 0.00 C ATOM 912 CD LYS A 65 3.547 4.191 4.435 1.00 0.00 C ATOM 913 CE LYS A 65 3.445 5.051 3.185 1.00 0.00 C ATOM 914 NZ LYS A 65 4.372 4.587 2.115 1.00 0.00 N ATOM 0 H LYS A 65 -1.397 3.831 5.116 1.00 0.00 H new ATOM 0 HA LYS A 65 0.334 2.274 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.025 4.460 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.191 3.316 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.972 2.198 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.498 2.658 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.338 4.800 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.566 3.819 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.421 5.030 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.671 6.087 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.272 5.199 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.352 4.631 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.140 3.607 1.856 1.00 0.00 H new ATOM 928 N ILE A 66 0.155 0.156 4.543 1.00 0.00 N ATOM 929 CA ILE A 66 0.011 -1.120 5.232 1.00 0.00 C ATOM 930 C ILE A 66 1.358 -1.818 5.384 1.00 0.00 C ATOM 931 O ILE A 66 1.916 -2.331 4.414 1.00 0.00 O ATOM 932 CB ILE A 66 -0.958 -2.056 4.486 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.326 -1.389 4.328 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.091 -3.379 5.226 1.00 0.00 C ATOM 935 CD1 ILE A 66 -3.196 -2.036 3.273 1.00 0.00 C ATOM 0 H ILE A 66 0.485 0.081 3.581 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.396 -0.901 6.219 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.555 -2.255 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.848 -1.417 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.182 -0.339 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.779 -4.030 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.114 -3.859 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.475 -3.197 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.150 -1.511 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.695 -1.984 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.371 -3.079 3.535 1.00 0.00 H new ATOM 947 N ARG A 67 1.875 -1.835 6.609 1.00 0.00 N ATOM 948 CA ARG A 67 3.156 -2.471 6.888 1.00 0.00 C ATOM 949 C ARG A 67 2.959 -3.783 7.642 1.00 0.00 C ATOM 950 O ARG A 67 2.399 -3.803 8.739 1.00 0.00 O ATOM 951 CB ARG A 67 4.049 -1.532 7.702 1.00 0.00 C ATOM 952 CG ARG A 67 4.105 -0.116 7.152 1.00 0.00 C ATOM 953 CD ARG A 67 5.304 0.645 7.694 1.00 0.00 C ATOM 954 NE ARG A 67 5.189 2.083 7.465 1.00 0.00 N ATOM 955 CZ ARG A 67 6.033 2.977 7.967 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.049 2.584 8.723 1.00 0.00 N ATOM 957 NH2 ARG A 67 5.862 4.268 7.713 1.00 0.00 N ATOM 0 H ARG A 67 1.426 -1.416 7.423 1.00 0.00 H new ATOM 0 HA ARG A 67 3.640 -2.688 5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.687 -1.500 8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.059 -1.941 7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.155 -0.149 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.189 0.413 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.401 0.455 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.213 0.274 7.220 1.00 0.00 H new ATOM 0 HE ARG A 67 4.418 2.419 6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.184 1.592 8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.695 3.273 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.082 4.574 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.511 4.954 8.099 1.00 0.00 H new ATOM 971 N HIS A 68 3.423 -4.877 7.047 1.00 0.00 N ATOM 972 CA HIS A 68 3.298 -6.194 7.662 1.00 0.00 C ATOM 973 C HIS A 68 4.669 -6.831 7.865 1.00 0.00 C ATOM 974 O HIS A 68 5.449 -6.961 6.921 1.00 0.00 O ATOM 975 CB HIS A 68 2.422 -7.102 6.799 1.00 0.00 C ATOM 976 CG HIS A 68 2.893 -7.216 5.382 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.997 -7.955 5.012 1.00 0.00 N ATOM 978 CD2 HIS A 68 2.400 -6.681 4.240 1.00 0.00 C ATOM 979 CE1 HIS A 68 4.164 -7.868 3.704 1.00 0.00 C ATOM 980 NE2 HIS A 68 3.208 -7.101 3.212 1.00 0.00 N ATOM 0 H HIS A 68 3.889 -4.878 6.140 1.00 0.00 H new ATOM 0 HA HIS A 68 2.828 -6.070 8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.393 -8.096 7.245 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.401 -6.720 6.804 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.592 -8.486 5.648 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.533 -6.043 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.949 -8.343 3.134 1.00 0.00 H new ATOM 989 N ARG A 69 4.956 -7.227 9.101 1.00 0.00 N ATOM 990 CA ARG A 69 6.234 -7.849 9.427 1.00 0.00 C ATOM 991 C ARG A 69 6.037 -9.297 9.868 1.00 0.00 C ATOM 992 O ARG A 69 4.912 -9.738 10.102 1.00 0.00 O ATOM 993 CB ARG A 69 6.942 -7.061 10.530 1.00 0.00 C ATOM 994 CG ARG A 69 6.239 -7.129 11.875 1.00 0.00 C ATOM 995 CD ARG A 69 6.705 -6.019 12.804 1.00 0.00 C ATOM 996 NE ARG A 69 6.153 -6.163 14.149 1.00 0.00 N ATOM 997 CZ ARG A 69 6.647 -5.546 15.216 1.00 0.00 C ATOM 998 NH1 ARG A 69 7.699 -4.747 15.096 1.00 0.00 N ATOM 999 NH2 ARG A 69 6.090 -5.727 16.406 1.00 0.00 N ATOM 0 H ARG A 69 4.321 -7.128 9.893 1.00 0.00 H new ATOM 0 HA ARG A 69 6.853 -7.841 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.958 -7.441 10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.023 -6.018 10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.162 -7.053 11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.430 -8.097 12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.794 -6.023 12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.410 -5.054 12.392 1.00 0.00 H new ATOM 0 HE ARG A 69 5.344 -6.771 14.275 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.130 -4.605 14.183 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.077 -4.274 15.917 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.281 -6.341 16.502 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.471 -5.252 17.225 1.00 0.00 H new ATOM 1013 N LYS A 70 7.138 -10.031 9.978 1.00 0.00 N ATOM 1014 CA LYS A 70 7.089 -11.428 10.391 1.00 0.00 C ATOM 1015 C LYS A 70 7.891 -11.647 11.670 1.00 0.00 C ATOM 1016 O LYS A 70 9.034 -11.204 11.782 1.00 0.00 O ATOM 1017 CB LYS A 70 7.628 -12.330 9.278 1.00 0.00 C ATOM 1018 CG LYS A 70 7.372 -13.809 9.516 1.00 0.00 C ATOM 1019 CD LYS A 70 5.949 -14.194 9.151 1.00 0.00 C ATOM 1020 CE LYS A 70 5.786 -15.703 9.057 1.00 0.00 C ATOM 1021 NZ LYS A 70 6.109 -16.213 7.696 1.00 0.00 N ATOM 0 H LYS A 70 8.077 -9.681 9.787 1.00 0.00 H new ATOM 0 HA LYS A 70 6.048 -11.686 10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.171 -12.038 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.701 -12.167 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.073 -14.400 8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.557 -14.047 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.261 -13.799 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.681 -13.738 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.435 -16.184 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.762 -15.974 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.604 -17.124 7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.230 -16.342 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.719 -15.529 7.205 1.00 0.00 H new ATOM 1133 N MET A 77 7.970 -5.120 5.230 1.00 0.00 N ATOM 1134 CA MET A 77 7.547 -4.766 3.880 1.00 0.00 C ATOM 1135 C MET A 77 6.278 -3.919 3.912 1.00 0.00 C ATOM 1136 O MET A 77 5.234 -4.369 4.382 1.00 0.00 O ATOM 1137 CB MET A 77 7.310 -6.028 3.049 1.00 0.00 C ATOM 1138 CG MET A 77 7.055 -5.748 1.577 1.00 0.00 C ATOM 1139 SD MET A 77 8.555 -5.294 0.686 1.00 0.00 S ATOM 1140 CE MET A 77 8.067 -3.721 -0.019 1.00 0.00 C ATOM 0 HA MET A 77 8.342 -4.180 3.419 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.177 -6.682 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.458 -6.569 3.460 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.615 -6.631 1.114 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.325 -4.944 1.485 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.892 -3.312 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 77 7.202 -3.865 -0.667 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.809 -3.028 0.782 1.00 0.00 H new ATOM 1150 N GLU A 78 6.378 -2.692 3.411 1.00 0.00 N ATOM 1151 CA GLU A 78 5.238 -1.783 3.384 1.00 0.00 C ATOM 1152 C GLU A 78 4.497 -1.878 2.054 1.00 0.00 C ATOM 1153 O GLU A 78 5.082 -2.227 1.027 1.00 0.00 O ATOM 1154 CB GLU A 78 5.699 -0.344 3.623 1.00 0.00 C ATOM 1155 CG GLU A 78 6.631 0.183 2.544 1.00 0.00 C ATOM 1156 CD GLU A 78 5.956 0.289 1.191 1.00 0.00 C ATOM 1157 OE1 GLU A 78 4.817 0.799 1.135 1.00 0.00 O ATOM 1158 OE2 GLU A 78 6.565 -0.137 0.188 1.00 0.00 O ATOM 0 H GLU A 78 7.236 -2.305 3.019 1.00 0.00 H new ATOM 0 HA GLU A 78 4.555 -2.075 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.824 0.304 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.205 -0.289 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.003 1.164 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.496 -0.475 2.464 1.00 0.00 H new ATOM 1165 N THR A 79 3.205 -1.565 2.078 1.00 0.00 N ATOM 1166 CA THR A 79 2.384 -1.616 0.876 1.00 0.00 C ATOM 1167 C THR A 79 1.151 -0.730 1.014 1.00 0.00 C ATOM 1168 O THR A 79 0.465 -0.759 2.037 1.00 0.00 O ATOM 1169 CB THR A 79 1.934 -3.056 0.563 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.048 -3.827 0.099 1.00 0.00 O ATOM 1171 CG2 THR A 79 0.833 -3.063 -0.487 1.00 0.00 C ATOM 0 H THR A 79 2.705 -1.273 2.918 1.00 0.00 H new ATOM 0 HA THR A 79 3.002 -1.250 0.056 1.00 0.00 H new ATOM 0 HB THR A 79 1.543 -3.498 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.879 -3.336 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.532 -4.090 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.025 -2.500 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.202 -2.604 -1.404 1.00 0.00 H new ATOM 1179 N LEU A 80 0.874 0.056 -0.020 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.278 0.951 -0.014 1.00 0.00 C ATOM 1181 C LEU A 80 -1.142 0.735 -1.252 1.00 0.00 C ATOM 1182 O LEU A 80 -0.628 0.585 -2.360 1.00 0.00 O ATOM 1183 CB LEU A 80 0.183 2.408 0.052 1.00 0.00 C ATOM 1184 CG LEU A 80 1.092 2.877 -1.085 1.00 0.00 C ATOM 1185 CD1 LEU A 80 0.264 3.400 -2.249 1.00 0.00 C ATOM 1186 CD2 LEU A 80 2.056 3.945 -0.592 1.00 0.00 C ATOM 0 H LEU A 80 1.431 0.092 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.877 0.726 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.700 3.047 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.707 2.560 0.996 1.00 0.00 H new ATOM 0 HG LEU A 80 1.674 2.024 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.928 3.729 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.385 2.606 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.345 4.240 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.695 4.266 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.492 4.798 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.673 3.537 0.208 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.457 0.722 -1.056 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.391 0.526 -2.158 1.00 0.00 C ATOM 1200 C GLU A 81 -4.520 1.551 -2.103 1.00 0.00 C ATOM 1201 O GLU A 81 -5.466 1.430 -1.324 1.00 0.00 O ATOM 1202 CB GLU A 81 -3.971 -0.890 -2.118 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.363 -0.994 -2.718 1.00 0.00 C ATOM 1204 CD GLU A 81 -5.664 -2.380 -3.255 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -5.196 -2.698 -4.369 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -6.367 -3.145 -2.564 1.00 0.00 O ATOM 0 H GLU A 81 -2.899 0.845 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.845 0.662 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.302 -1.563 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.004 -1.231 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.102 -0.734 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.463 -0.267 -3.524 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.420 2.587 -2.949 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.423 3.654 -3.017 1.00 0.00 C ATOM 1215 C PRO A 82 -6.743 3.172 -3.608 1.00 0.00 C ATOM 1216 O PRO A 82 -7.754 3.870 -3.545 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.774 4.693 -3.934 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.823 3.914 -4.776 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.320 2.796 -3.906 1.00 0.00 C ATOM 0 HA PRO A 82 -5.678 4.037 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.519 5.202 -4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.256 5.460 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.318 3.524 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.001 4.542 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.116 1.896 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.393 3.066 -3.400 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.726 1.973 -4.183 1.00 0.00 N ATOM 1228 CA ASN A 83 -7.923 1.398 -4.786 1.00 0.00 C ATOM 1229 C ASN A 83 -9.074 1.363 -3.785 1.00 0.00 C ATOM 1230 O ASN A 83 -10.119 1.973 -4.003 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.633 -0.015 -5.297 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.410 -0.067 -6.191 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.427 -0.740 -5.879 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -6.464 0.646 -7.310 1.00 0.00 N ATOM 0 H ASN A 83 -5.897 1.382 -4.244 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.215 2.028 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.487 -0.683 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.498 -0.384 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.670 0.650 -7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.299 1.189 -7.529 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.872 0.644 -2.685 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.893 0.529 -1.650 1.00 0.00 C ATOM 1243 C ASN A 84 -9.264 0.570 -0.260 1.00 0.00 C ATOM 1244 O ASN A 84 -8.046 0.690 -0.120 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.684 -0.769 -1.825 1.00 0.00 C ATOM 1246 CG ASN A 84 -11.167 -0.963 -3.250 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.046 -0.242 -3.722 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -10.594 -1.941 -3.941 1.00 0.00 N ATOM 0 H ASN A 84 -8.012 0.133 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.572 1.376 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.059 -1.614 -1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.541 -0.763 -1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.879 -2.120 -4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.869 -2.514 -3.509 1.00 0.00 H new ATOM 1255 N LEU A 85 -10.103 0.470 0.766 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.630 0.495 2.145 1.00 0.00 C ATOM 1257 C LEU A 85 -9.448 -0.921 2.684 1.00 0.00 C ATOM 1258 O LEU A 85 -9.489 -1.145 3.894 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.614 1.266 3.028 1.00 0.00 C ATOM 1260 CG LEU A 85 -11.159 2.570 2.445 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.465 2.953 3.123 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -10.134 3.686 2.586 1.00 0.00 C ATOM 0 H LEU A 85 -11.113 0.371 0.668 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.663 0.998 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.457 0.613 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.122 1.492 3.974 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.356 2.417 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.838 3.884 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.200 2.163 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.295 3.088 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.539 4.607 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.905 3.838 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.223 3.413 2.053 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.244 -1.871 1.779 1.00 0.00 N ATOM 1275 CA TRP A 86 -9.052 -3.264 2.164 1.00 0.00 C ATOM 1276 C TRP A 86 -7.918 -3.899 1.366 1.00 0.00 C ATOM 1277 O TRP A 86 -7.736 -3.602 0.185 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.344 -4.055 1.954 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.743 -4.171 0.514 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.492 -3.282 -0.203 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.415 -5.238 -0.383 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.649 -3.732 -1.492 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -10.997 -4.929 -1.628 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.685 -6.422 -0.256 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -10.872 -5.764 -2.735 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.561 -7.250 -1.356 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.151 -6.917 -2.582 1.00 0.00 C ATOM 0 H TRP A 86 -9.207 -1.702 0.774 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.786 -3.289 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.221 -5.055 2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.150 -3.575 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -11.901 -2.361 0.186 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.167 -3.252 -2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.225 -6.686 0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.328 -5.511 -3.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -9.000 -8.169 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.035 -7.584 -3.424 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.160 -4.773 2.017 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.042 -5.448 1.368 1.00 0.00 C ATOM 1300 C TYR A 87 -5.949 -6.903 1.817 1.00 0.00 C ATOM 1301 O TYR A 87 -5.672 -7.189 2.983 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.731 -4.722 1.677 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.598 -5.096 0.749 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.195 -6.419 0.611 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -2.929 -4.128 0.011 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.160 -6.766 -0.235 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -1.894 -4.465 -0.838 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.513 -5.786 -0.958 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.481 -6.126 -1.802 1.00 0.00 O ATOM 0 H TYR A 87 -7.299 -5.031 2.994 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.215 -5.429 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.898 -3.647 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.437 -4.942 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.700 -7.189 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.224 -3.093 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.859 -7.799 -0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.385 -3.699 -1.405 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.293 -5.378 -2.406 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.180 -7.819 0.883 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.122 -9.246 1.180 1.00 0.00 C ATOM 1321 C LEU A 88 -4.733 -9.806 0.894 1.00 0.00 C ATOM 1322 O LEU A 88 -4.153 -9.548 -0.161 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.168 -10.001 0.358 1.00 0.00 C ATOM 1324 CG LEU A 88 -7.422 -11.453 0.766 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -8.520 -11.528 1.815 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -7.785 -12.293 -0.450 1.00 0.00 C ATOM 0 H LEU A 88 -6.409 -7.599 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.336 -9.380 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.111 -9.457 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.859 -9.987 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.506 -11.854 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.687 -12.569 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.221 -10.960 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.441 -11.109 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.962 -13.323 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.687 -11.893 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.966 -12.266 -1.169 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.204 -10.574 1.841 1.00 0.00 N ATOM 1339 CA PHE A 89 -2.882 -11.172 1.690 1.00 0.00 C ATOM 1340 C PHE A 89 -2.977 -12.693 1.624 1.00 0.00 C ATOM 1341 O PHE A 89 -3.427 -13.341 2.570 1.00 0.00 O ATOM 1342 CB PHE A 89 -1.976 -10.757 2.851 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.310 -9.426 2.645 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.096 -9.338 1.983 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -1.898 -8.262 3.115 1.00 0.00 C ATOM 1346 CE1 PHE A 89 0.519 -8.115 1.792 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -1.288 -7.037 2.926 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.078 -6.963 2.265 1.00 0.00 C ATOM 0 H PHE A 89 -4.670 -10.797 2.721 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.453 -10.811 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.566 -10.721 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.210 -11.519 2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.375 -10.236 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.843 -8.313 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.465 -8.060 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.758 -6.137 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.401 -6.006 2.118 1.00 0.00 H new ATOM 1358 N THR A 90 -2.552 -13.259 0.498 1.00 0.00 N ATOM 1359 CA THR A 90 -2.590 -14.703 0.306 1.00 0.00 C ATOM 1360 C THR A 90 -1.188 -15.270 0.115 1.00 0.00 C ATOM 1361 O THR A 90 -0.290 -14.580 -0.366 1.00 0.00 O ATOM 1362 CB THR A 90 -3.457 -15.085 -0.909 1.00 0.00 C ATOM 1363 OG1 THR A 90 -3.161 -14.222 -2.012 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.937 -14.992 -0.569 1.00 0.00 C ATOM 0 H THR A 90 -2.177 -12.738 -0.295 1.00 0.00 H new ATOM 0 HA THR A 90 -3.031 -15.130 1.207 1.00 0.00 H new ATOM 0 HB THR A 90 -3.227 -16.115 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.715 -14.472 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.529 -15.266 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.165 -15.672 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.179 -13.971 -0.273 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.008 -16.531 0.493 1.00 0.00 N ATOM 1373 CA GLY A 91 0.288 -17.170 0.354 1.00 0.00 C ATOM 1374 C GLY A 91 1.105 -17.106 1.630 1.00 0.00 C ATOM 1375 O GLY A 91 2.306 -16.834 1.594 1.00 0.00 O ATOM 0 H GLY A 91 -1.736 -17.122 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.147 -18.212 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.842 -16.690 -0.453 1.00 0.00 H new ATOM 1379 N LEU A 92 0.454 -17.357 2.760 1.00 0.00 N ATOM 1380 CA LEU A 92 1.128 -17.326 4.054 1.00 0.00 C ATOM 1381 C LEU A 92 1.343 -18.738 4.590 1.00 0.00 C ATOM 1382 O LEU A 92 0.804 -19.704 4.052 1.00 0.00 O ATOM 1383 CB LEU A 92 0.313 -16.507 5.056 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.191 -15.150 4.562 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.208 -14.572 5.533 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.972 -14.188 4.368 1.00 0.00 C ATOM 0 H LEU A 92 -0.539 -17.584 2.807 1.00 0.00 H new ATOM 0 HA LEU A 92 2.102 -16.857 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.547 -17.101 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.924 -16.344 5.944 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.681 -15.294 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.555 -13.607 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.055 -15.253 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.744 -14.442 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.595 -13.228 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.491 -14.049 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.664 -14.598 3.632 1.00 0.00 H new ATOM 1398 N GLU A 93 2.134 -18.848 5.653 1.00 0.00 N ATOM 1399 CA GLU A 93 2.418 -20.142 6.262 1.00 0.00 C ATOM 1400 C GLU A 93 1.393 -20.472 7.343 1.00 0.00 C ATOM 1401 O GLU A 93 0.931 -19.589 8.067 1.00 0.00 O ATOM 1402 CB GLU A 93 3.827 -20.150 6.860 1.00 0.00 C ATOM 1403 CG GLU A 93 4.428 -21.540 6.982 1.00 0.00 C ATOM 1404 CD GLU A 93 4.158 -22.402 5.764 1.00 0.00 C ATOM 1405 OE1 GLU A 93 4.394 -21.924 4.634 1.00 0.00 O ATOM 1406 OE2 GLU A 93 3.709 -23.554 5.941 1.00 0.00 O ATOM 0 H GLU A 93 2.589 -18.057 6.110 1.00 0.00 H new ATOM 0 HA GLU A 93 2.356 -20.903 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.479 -19.534 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.796 -19.689 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.504 -21.454 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.022 -22.031 7.867 1.00 0.00 H new ATOM 1413 N LYS A 94 1.042 -21.749 7.447 1.00 0.00 N ATOM 1414 CA LYS A 94 0.072 -22.198 8.439 1.00 0.00 C ATOM 1415 C LYS A 94 0.721 -22.331 9.813 1.00 0.00 C ATOM 1416 O LYS A 94 1.863 -22.773 9.930 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.535 -23.538 8.018 1.00 0.00 C ATOM 1418 CG LYS A 94 0.494 -24.551 7.547 1.00 0.00 C ATOM 1419 CD LYS A 94 0.009 -25.976 7.752 1.00 0.00 C ATOM 1420 CE LYS A 94 0.114 -26.396 9.210 1.00 0.00 C ATOM 1421 NZ LYS A 94 1.453 -26.966 9.528 1.00 0.00 N ATOM 0 H LYS A 94 1.415 -22.492 6.856 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.719 -21.451 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.087 -23.958 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.255 -23.366 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.710 -24.388 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.427 -24.402 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.026 -26.060 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.597 -26.654 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.076 -25.535 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.657 -27.134 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.484 -27.240 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.624 -27.803 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.187 -26.253 9.341 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.016 -21.946 10.850 1.00 0.00 N ATOM 1436 CA GLY A 95 0.505 -22.031 12.202 1.00 0.00 C ATOM 1437 C GLY A 95 1.620 -21.036 12.458 1.00 0.00 C ATOM 1438 O GLY A 95 2.616 -21.363 13.103 1.00 0.00 O ATOM 0 H GLY A 95 -0.964 -21.577 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.304 -21.856 12.911 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.875 -23.040 12.383 1.00 0.00 H new ATOM 1442 N SER A 96 1.453 -19.819 11.950 1.00 0.00 N ATOM 1443 CA SER A 96 2.457 -18.775 12.122 1.00 0.00 C ATOM 1444 C SER A 96 1.809 -17.468 12.569 1.00 0.00 C ATOM 1445 O SER A 96 0.587 -17.327 12.539 1.00 0.00 O ATOM 1446 CB SER A 96 3.225 -18.557 10.818 1.00 0.00 C ATOM 1447 OG SER A 96 4.346 -19.421 10.736 1.00 0.00 O ATOM 0 H SER A 96 0.633 -19.532 11.416 1.00 0.00 H new ATOM 0 HA SER A 96 3.154 -19.098 12.895 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.564 -18.732 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.556 -17.520 10.756 1.00 0.00 H new ATOM 0 HG SER A 96 4.819 -19.263 9.893 1.00 0.00 H new ATOM 1453 N GLN A 97 2.638 -16.516 12.983 1.00 0.00 N ATOM 1454 CA GLN A 97 2.147 -15.220 13.437 1.00 0.00 C ATOM 1455 C GLN A 97 2.373 -14.150 12.375 1.00 0.00 C ATOM 1456 O GLN A 97 3.274 -14.265 11.544 1.00 0.00 O ATOM 1457 CB GLN A 97 2.840 -14.816 14.740 1.00 0.00 C ATOM 1458 CG GLN A 97 2.089 -13.753 15.524 1.00 0.00 C ATOM 1459 CD GLN A 97 2.506 -13.697 16.980 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.678 -13.492 17.295 1.00 0.00 O ATOM 1461 NE2 GLN A 97 1.545 -13.881 17.879 1.00 0.00 N ATOM 0 H GLN A 97 3.653 -16.617 13.014 1.00 0.00 H new ATOM 0 HA GLN A 97 1.075 -15.308 13.616 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.961 -15.700 15.366 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.840 -14.448 14.511 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.259 -12.780 15.064 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.019 -13.951 15.464 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.586 -14.048 17.574 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.766 -13.855 18.874 1.00 0.00 H new ATOM 1470 N TYR A 98 1.548 -13.109 12.406 1.00 0.00 N ATOM 1471 CA TYR A 98 1.656 -12.019 11.444 1.00 0.00 C ATOM 1472 C TYR A 98 1.088 -10.725 12.020 1.00 0.00 C ATOM 1473 O TYR A 98 -0.005 -10.712 12.587 1.00 0.00 O ATOM 1474 CB TYR A 98 0.924 -12.378 10.150 1.00 0.00 C ATOM 1475 CG TYR A 98 1.595 -13.480 9.361 1.00 0.00 C ATOM 1476 CD1 TYR A 98 2.616 -13.196 8.463 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.208 -14.806 9.515 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.231 -14.199 7.739 1.00 0.00 C ATOM 1479 CE2 TYR A 98 1.819 -15.816 8.797 1.00 0.00 C ATOM 1480 CZ TYR A 98 2.829 -15.507 7.910 1.00 0.00 C ATOM 1481 OH TYR A 98 3.440 -16.510 7.193 1.00 0.00 O ATOM 0 H TYR A 98 0.797 -12.997 13.087 1.00 0.00 H new ATOM 0 HA TYR A 98 2.713 -11.865 11.225 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.094 -12.683 10.391 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.850 -11.488 9.525 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.935 -12.173 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.416 -15.051 10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.022 -13.960 7.043 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.508 -16.842 8.930 1.00 0.00 H new ATOM 0 HH TYR A 98 3.712 -17.228 7.802 1.00 0.00 H new ATOM 1491 N SER A 99 1.839 -9.638 11.870 1.00 0.00 N ATOM 1492 CA SER A 99 1.413 -8.339 12.378 1.00 0.00 C ATOM 1493 C SER A 99 1.087 -7.388 11.230 1.00 0.00 C ATOM 1494 O SER A 99 1.686 -7.462 10.157 1.00 0.00 O ATOM 1495 CB SER A 99 2.502 -7.733 13.264 1.00 0.00 C ATOM 1496 OG SER A 99 1.943 -6.868 14.238 1.00 0.00 O ATOM 0 H SER A 99 2.745 -9.631 11.401 1.00 0.00 H new ATOM 0 HA SER A 99 0.511 -8.486 12.972 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.059 -8.529 13.757 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.212 -7.182 12.648 1.00 0.00 H new ATOM 0 HG SER A 99 0.965 -6.910 14.190 1.00 0.00 H new ATOM 1502 N PHE A 100 0.132 -6.494 11.464 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.276 -5.528 10.451 1.00 0.00 C ATOM 1504 C PHE A 100 -0.408 -4.132 11.052 1.00 0.00 C ATOM 1505 O PHE A 100 -0.579 -3.980 12.262 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.603 -5.950 9.818 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.498 -7.189 8.975 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.594 -8.445 9.551 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.303 -7.097 7.606 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.498 -9.587 8.778 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.207 -8.235 6.828 1.00 0.00 C ATOM 1512 CZ PHE A 100 -1.303 -9.482 7.415 1.00 0.00 C ATOM 0 H PHE A 100 -0.374 -6.419 12.347 1.00 0.00 H new ATOM 0 HA PHE A 100 0.494 -5.501 9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.336 -6.118 10.607 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.979 -5.133 9.203 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.746 -8.533 10.617 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.225 -6.125 7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.575 -10.560 9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.057 -8.150 5.762 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.226 -10.373 6.809 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.325 -3.116 10.199 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.434 -1.732 10.646 1.00 0.00 C ATOM 1524 C GLN A 101 -1.103 -0.868 9.583 1.00 0.00 C ATOM 1525 O GLN A 101 -0.872 -1.046 8.387 1.00 0.00 O ATOM 1526 CB GLN A 101 0.950 -1.172 10.979 1.00 0.00 C ATOM 1527 CG GLN A 101 0.924 0.273 11.451 1.00 0.00 C ATOM 1528 CD GLN A 101 0.869 0.393 12.961 1.00 0.00 C ATOM 1529 OE1 GLN A 101 0.057 1.141 13.507 1.00 0.00 O ATOM 1530 NE2 GLN A 101 1.735 -0.344 13.646 1.00 0.00 N ATOM 0 H GLN A 101 -0.183 -3.225 9.195 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.052 -1.714 11.544 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.406 -1.790 11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.585 -1.246 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.811 0.788 11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.060 0.777 11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.391 -0.950 13.153 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.745 -0.304 14.665 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.935 0.069 10.027 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.638 0.963 9.114 1.00 0.00 C ATOM 1541 C VAL A 102 -2.463 2.420 9.528 1.00 0.00 C ATOM 1542 O VAL A 102 -2.697 2.781 10.681 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.141 0.634 9.054 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.810 1.398 7.921 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.353 -0.864 8.896 1.00 0.00 C ATOM 0 H VAL A 102 -2.139 0.229 11.014 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.202 0.815 8.126 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.601 0.946 9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.872 1.153 7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.689 2.469 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.349 1.120 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.421 -1.078 8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.880 -1.203 7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.910 -1.386 9.745 1.00 0.00 H new ATOM 1555 N SER A 103 -2.051 3.253 8.578 1.00 0.00 N ATOM 1556 CA SER A 103 -1.841 4.672 8.844 1.00 0.00 C ATOM 1557 C SER A 103 -2.482 5.529 7.756 1.00 0.00 C ATOM 1558 O SER A 103 -2.317 5.266 6.566 1.00 0.00 O ATOM 1559 CB SER A 103 -0.346 4.979 8.936 1.00 0.00 C ATOM 1560 OG SER A 103 0.378 4.306 7.921 1.00 0.00 O ATOM 0 H SER A 103 -1.856 2.970 7.618 1.00 0.00 H new ATOM 0 HA SER A 103 -2.313 4.912 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.187 6.054 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.030 4.680 9.914 1.00 0.00 H new ATOM 0 HG SER A 103 1.331 4.521 8.002 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.215 6.555 8.176 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.879 7.453 7.239 1.00 0.00 C ATOM 1568 C ALA A 104 -2.913 8.508 6.710 1.00 0.00 C ATOM 1569 O ALA A 104 -2.384 9.316 7.473 1.00 0.00 O ATOM 1570 CB ALA A 104 -5.077 8.116 7.902 1.00 0.00 C ATOM 0 H ALA A 104 -3.364 6.785 9.159 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.228 6.861 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.563 8.784 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.784 7.351 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.743 8.689 8.767 1.00 0.00 H new ATOM 1576 N MET A 105 -2.688 8.494 5.401 1.00 0.00 N ATOM 1577 CA MET A 105 -1.785 9.451 4.771 1.00 0.00 C ATOM 1578 C MET A 105 -2.567 10.581 4.108 1.00 0.00 C ATOM 1579 O MET A 105 -3.695 10.386 3.653 1.00 0.00 O ATOM 1580 CB MET A 105 -0.904 8.749 3.736 1.00 0.00 C ATOM 1581 CG MET A 105 0.391 8.199 4.312 1.00 0.00 C ATOM 1582 SD MET A 105 1.621 7.844 3.042 1.00 0.00 S ATOM 1583 CE MET A 105 0.599 7.078 1.786 1.00 0.00 C ATOM 0 H MET A 105 -3.118 7.831 4.756 1.00 0.00 H new ATOM 0 HA MET A 105 -1.150 9.879 5.547 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.468 7.932 3.286 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.667 9.451 2.937 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.803 8.918 5.020 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.177 7.288 4.870 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.235 6.612 1.034 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.035 6.320 2.245 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.026 7.836 1.314 1.00 0.00 H new ATOM 1593 N THR A 106 -1.961 11.763 4.056 1.00 0.00 N ATOM 1594 CA THR A 106 -2.601 12.924 3.450 1.00 0.00 C ATOM 1595 C THR A 106 -1.711 13.546 2.380 1.00 0.00 C ATOM 1596 O THR A 106 -0.623 13.046 2.095 1.00 0.00 O ATOM 1597 CB THR A 106 -2.939 13.993 4.506 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.762 14.347 5.240 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.008 13.489 5.464 1.00 0.00 C ATOM 0 H THR A 106 -1.028 11.941 4.426 1.00 0.00 H new ATOM 0 HA THR A 106 -3.525 12.573 2.991 1.00 0.00 H new ATOM 0 HB THR A 106 -3.322 14.873 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.017 14.818 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.230 14.261 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.913 13.249 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.648 12.595 5.973 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.180 14.641 1.791 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.426 15.333 0.753 1.00 0.00 C ATOM 1609 C VAL A 107 -0.146 15.941 1.316 1.00 0.00 C ATOM 1610 O VAL A 107 0.673 16.484 0.576 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.264 16.447 0.097 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -2.327 17.670 0.999 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -1.696 16.808 -1.267 1.00 0.00 C ATOM 0 H VAL A 107 -3.079 15.068 2.015 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.171 14.589 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.280 16.078 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.923 18.446 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.785 17.397 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.319 18.044 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.300 17.596 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.670 17.158 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.710 15.929 -1.911 1.00 0.00 H new ATOM 1623 N ASN A 108 0.020 15.844 2.631 1.00 0.00 N ATOM 1624 CA ASN A 108 1.200 16.384 3.295 1.00 0.00 C ATOM 1625 C ASN A 108 2.169 15.268 3.676 1.00 0.00 C ATOM 1626 O ASN A 108 3.204 15.086 3.037 1.00 0.00 O ATOM 1627 CB ASN A 108 0.795 17.171 4.543 1.00 0.00 C ATOM 1628 CG ASN A 108 -0.027 18.401 4.209 1.00 0.00 C ATOM 1629 OD1 ASN A 108 -1.204 18.488 4.559 1.00 0.00 O ATOM 1630 ND2 ASN A 108 0.592 19.359 3.529 1.00 0.00 N ATOM 0 H ASN A 108 -0.648 15.396 3.258 1.00 0.00 H new ATOM 0 HA ASN A 108 1.702 17.055 2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.222 16.524 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 108 1.691 17.472 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.090 20.210 3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.569 19.244 3.260 1.00 0.00 H new ATOM 1637 N GLY A 109 1.823 14.524 4.722 1.00 0.00 N ATOM 1638 CA GLY A 109 2.672 13.435 5.170 1.00 0.00 C ATOM 1639 C GLY A 109 1.875 12.263 5.709 1.00 0.00 C ATOM 1640 O GLY A 109 0.757 12.005 5.264 1.00 0.00 O ATOM 0 H GLY A 109 0.971 14.656 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.293 13.097 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.346 13.799 5.945 1.00 0.00 H new ATOM 1644 N THR A 110 2.453 11.550 6.671 1.00 0.00 N ATOM 1645 CA THR A 110 1.791 10.398 7.269 1.00 0.00 C ATOM 1646 C THR A 110 1.710 10.536 8.785 1.00 0.00 C ATOM 1647 O THR A 110 2.597 11.112 9.414 1.00 0.00 O ATOM 1648 CB THR A 110 2.523 9.087 6.924 1.00 0.00 C ATOM 1649 OG1 THR A 110 2.973 9.121 5.564 1.00 0.00 O ATOM 1650 CG2 THR A 110 1.611 7.887 7.132 1.00 0.00 C ATOM 0 H THR A 110 3.378 11.750 7.052 1.00 0.00 H new ATOM 0 HA THR A 110 0.783 10.363 6.855 1.00 0.00 H new ATOM 0 HB THR A 110 3.382 8.990 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.439 8.285 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.150 6.973 6.882 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.293 7.848 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.736 7.980 6.489 1.00 0.00 H new ATOM 1658 N GLY A 111 0.639 10.004 9.368 1.00 0.00 N ATOM 1659 CA GLY A 111 0.463 10.079 10.806 1.00 0.00 C ATOM 1660 C GLY A 111 1.231 8.999 11.541 1.00 0.00 C ATOM 1661 O GLY A 111 1.903 8.163 10.936 1.00 0.00 O ATOM 0 H GLY A 111 -0.109 9.523 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.790 11.057 11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.597 9.993 11.044 1.00 0.00 H new ATOM 1665 N PRO A 112 1.138 9.008 12.879 1.00 0.00 N ATOM 1666 CA PRO A 112 1.825 8.028 13.727 1.00 0.00 C ATOM 1667 C PRO A 112 1.229 6.631 13.597 1.00 0.00 C ATOM 1668 O PRO A 112 0.023 6.458 13.417 1.00 0.00 O ATOM 1669 CB PRO A 112 1.610 8.572 15.142 1.00 0.00 C ATOM 1670 CG PRO A 112 0.365 9.385 15.051 1.00 0.00 C ATOM 1671 CD PRO A 112 0.356 9.974 13.668 1.00 0.00 C ATOM 0 HA PRO A 112 2.874 7.916 13.453 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.503 7.763 15.865 1.00 0.00 H new ATOM 0 HB3 PRO A 112 2.456 9.178 15.466 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.518 8.767 15.218 1.00 0.00 H new ATOM 0 HG3 PRO A 112 0.354 10.168 15.809 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.658 10.079 13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.808 10.966 13.651 1.00 0.00 H new ATOM 1679 N PRO A 113 2.091 5.608 13.691 1.00 0.00 N ATOM 1680 CA PRO A 113 1.672 4.207 13.587 1.00 0.00 C ATOM 1681 C PRO A 113 0.855 3.756 14.793 1.00 0.00 C ATOM 1682 O PRO A 113 1.328 3.802 15.928 1.00 0.00 O ATOM 1683 CB PRO A 113 2.997 3.444 13.524 1.00 0.00 C ATOM 1684 CG PRO A 113 3.979 4.333 14.205 1.00 0.00 C ATOM 1685 CD PRO A 113 3.542 5.740 13.905 1.00 0.00 C ATOM 0 HA PRO A 113 1.026 4.038 12.726 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.922 2.479 14.026 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.291 3.246 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.992 4.149 15.279 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.989 4.152 13.838 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.767 6.415 14.731 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.044 6.137 13.023 1.00 0.00 H new ATOM 1693 N SER A 114 -0.375 3.320 14.539 1.00 0.00 N ATOM 1694 CA SER A 114 -1.260 2.864 15.605 1.00 0.00 C ATOM 1695 C SER A 114 -0.690 1.626 16.291 1.00 0.00 C ATOM 1696 O SER A 114 0.362 1.118 15.905 1.00 0.00 O ATOM 1697 CB SER A 114 -2.650 2.557 15.046 1.00 0.00 C ATOM 1698 OG SER A 114 -2.573 2.110 13.704 1.00 0.00 O ATOM 0 H SER A 114 -0.781 3.273 13.605 1.00 0.00 H new ATOM 0 HA SER A 114 -1.341 3.662 16.343 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.132 1.795 15.659 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.272 3.450 15.100 1.00 0.00 H new ATOM 0 HG SER A 114 -1.727 1.635 13.566 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.395 1.144 17.310 1.00 0.00 N ATOM 1705 CA ASN A 115 -0.960 -0.034 18.051 1.00 0.00 C ATOM 1706 C ASN A 115 -0.774 -1.226 17.116 1.00 0.00 C ATOM 1707 O ASN A 115 -1.648 -1.534 16.305 1.00 0.00 O ATOM 1708 CB ASN A 115 -1.976 -0.380 19.141 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.316 0.812 20.014 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -1.599 1.813 20.024 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -3.414 0.710 20.754 1.00 0.00 N ATOM 0 H ASN A 115 -2.270 1.551 17.641 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.001 0.193 18.517 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.887 -0.759 18.678 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.578 -1.181 19.764 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.693 1.480 21.362 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.979 -0.138 20.714 1.00 0.00 H new ATOM 1718 N TRP A 116 0.368 -1.892 17.237 1.00 0.00 N ATOM 1719 CA TRP A 116 0.668 -3.051 16.404 1.00 0.00 C ATOM 1720 C TRP A 116 -0.285 -4.202 16.708 1.00 0.00 C ATOM 1721 O TRP A 116 -0.325 -4.707 17.830 1.00 0.00 O ATOM 1722 CB TRP A 116 2.114 -3.500 16.620 1.00 0.00 C ATOM 1723 CG TRP A 116 3.109 -2.696 15.838 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.867 -1.657 16.298 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.452 -2.865 14.458 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.660 -1.170 15.287 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.424 -1.895 14.149 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.033 -3.743 13.455 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.982 -1.779 12.878 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.587 -3.627 12.194 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.554 -2.652 11.915 1.00 0.00 C ATOM 0 H TRP A 116 1.101 -1.650 17.903 1.00 0.00 H new ATOM 0 HA TRP A 116 0.537 -2.761 15.362 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.354 -3.430 17.681 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.206 -4.550 16.341 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.846 -1.275 17.308 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.318 -0.395 15.370 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.290 -4.499 13.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.726 -1.027 12.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.269 -4.299 11.411 1.00 0.00 H new ATOM 0 HH2 TRP A 116 4.970 -2.588 10.920 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.050 -4.612 15.702 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.004 -5.702 15.863 1.00 0.00 C ATOM 1744 C TYR A 117 -1.461 -6.995 15.262 1.00 0.00 C ATOM 1745 O TYR A 117 -0.900 -6.997 14.165 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.337 -5.342 15.206 1.00 0.00 C ATOM 1747 CG TYR A 117 -3.981 -4.102 15.783 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.616 -2.836 15.341 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -4.956 -4.196 16.769 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.201 -1.700 15.866 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -5.548 -3.065 17.298 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.167 -1.820 16.844 1.00 0.00 C ATOM 1753 OH TYR A 117 -5.753 -0.691 17.369 1.00 0.00 O ATOM 0 H TYR A 117 -1.028 -4.206 14.767 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.162 -5.857 16.930 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.178 -5.195 14.138 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.024 -6.181 15.313 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -2.862 -2.739 14.574 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.256 -5.169 17.128 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -3.904 -0.723 15.513 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.305 -3.156 18.063 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.413 -0.950 18.046 1.00 0.00 H new ATOM 1763 N THR A 118 -1.632 -8.095 15.988 1.00 0.00 N ATOM 1764 CA THR A 118 -1.159 -9.395 15.529 1.00 0.00 C ATOM 1765 C THR A 118 -2.308 -10.391 15.423 1.00 0.00 C ATOM 1766 O THR A 118 -3.198 -10.420 16.272 1.00 0.00 O ATOM 1767 CB THR A 118 -0.085 -9.968 16.473 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.925 -8.983 16.720 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.551 -11.214 15.876 1.00 0.00 C ATOM 0 H THR A 118 -2.095 -8.112 16.897 1.00 0.00 H new ATOM 0 HA THR A 118 -0.721 -9.242 14.543 1.00 0.00 H new ATOM 0 HB THR A 118 -0.566 -10.239 17.413 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.603 -9.354 17.322 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.306 -11.601 16.560 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.215 -11.972 15.715 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.019 -10.963 14.924 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.282 -11.208 14.374 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.321 -12.207 14.158 1.00 0.00 C ATOM 1779 C ALA A 119 -2.716 -13.550 13.763 1.00 0.00 C ATOM 1780 O ALA A 119 -1.859 -13.620 12.882 1.00 0.00 O ATOM 1781 CB ALA A 119 -4.298 -11.732 13.093 1.00 0.00 C ATOM 0 H ALA A 119 -1.553 -11.197 13.661 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.861 -12.342 15.095 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.068 -12.488 12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.763 -10.800 13.415 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.764 -11.567 12.157 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.167 -14.614 14.420 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.668 -15.955 14.137 1.00 0.00 C ATOM 1789 C GLU A 120 -3.560 -16.664 13.121 1.00 0.00 C ATOM 1790 O GLU A 120 -4.767 -16.427 13.065 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.590 -16.776 15.425 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.745 -16.129 16.510 1.00 0.00 C ATOM 1793 CD GLU A 120 -2.523 -15.120 17.331 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -3.170 -15.531 18.318 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -2.486 -13.920 16.989 1.00 0.00 O ATOM 0 H GLU A 120 -3.877 -14.574 15.152 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.668 -15.862 13.714 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.599 -16.933 15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.180 -17.759 15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.352 -16.903 17.169 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.888 -15.636 16.052 1.00 0.00 H new ATOM 1802 N THR A 121 -2.956 -17.535 12.319 1.00 0.00 N ATOM 1803 CA THR A 121 -3.693 -18.278 11.305 1.00 0.00 C ATOM 1804 C THR A 121 -4.082 -19.662 11.811 1.00 0.00 C ATOM 1805 O THR A 121 -3.356 -20.296 12.576 1.00 0.00 O ATOM 1806 CB THR A 121 -2.870 -18.429 10.011 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.606 -19.035 10.303 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.650 -17.078 9.348 1.00 0.00 C ATOM 0 H THR A 121 -1.958 -17.743 12.352 1.00 0.00 H new ATOM 0 HA THR A 121 -4.596 -17.707 11.089 1.00 0.00 H new ATOM 0 HB THR A 121 -3.428 -19.065 9.324 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.089 -19.129 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 121 -2.067 -17.211 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.614 -16.633 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 121 -2.112 -16.421 10.031 1.00 0.00 H new ATOM 1816 N PRO A 122 -5.255 -20.144 11.375 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.767 -21.459 11.771 1.00 0.00 C ATOM 1818 C PRO A 122 -4.960 -22.602 11.163 1.00 0.00 C ATOM 1819 O PRO A 122 -4.903 -22.752 9.943 1.00 0.00 O ATOM 1820 CB PRO A 122 -7.196 -21.463 11.223 1.00 0.00 C ATOM 1821 CG PRO A 122 -7.168 -20.503 10.083 1.00 0.00 C ATOM 1822 CD PRO A 122 -6.173 -19.442 10.461 1.00 0.00 C ATOM 0 HA PRO A 122 -5.709 -21.612 12.849 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.491 -22.459 10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.913 -21.153 11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.875 -21.002 9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -8.154 -20.071 9.912 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.650 -19.052 9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.655 -18.595 10.948 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.340 -23.404 12.022 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.536 -24.533 11.568 1.00 0.00 C ATOM 1832 C GLU A 123 -4.252 -25.299 10.460 1.00 0.00 C ATOM 1833 O GLU A 123 -3.622 -25.787 9.522 1.00 0.00 O ATOM 1834 CB GLU A 123 -3.229 -25.472 12.737 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.413 -24.822 13.842 1.00 0.00 C ATOM 1836 CD GLU A 123 -3.280 -24.169 14.901 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -4.447 -24.587 15.054 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -2.791 -23.239 15.576 1.00 0.00 O ATOM 0 H GLU A 123 -4.379 -23.293 13.035 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.599 -24.143 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.167 -25.836 13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.689 -26.341 12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.779 -25.574 14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.751 -24.073 13.407 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.572 -25.401 10.576 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.374 -26.109 9.585 1.00 0.00 C ATOM 1847 C ASN A 124 -7.037 -25.130 8.622 1.00 0.00 C ATOM 1848 O ASN A 124 -7.690 -24.175 9.043 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.440 -26.962 10.276 1.00 0.00 C ATOM 1850 CG ASN A 124 -8.223 -27.815 9.297 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -7.844 -28.948 9.002 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -9.322 -27.271 8.787 1.00 0.00 N ATOM 0 H ASN A 124 -6.109 -25.002 11.346 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.711 -26.759 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -6.963 -27.607 11.014 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -8.127 -26.312 10.817 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -9.890 -27.796 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.598 -26.328 9.060 1.00 0.00 H new