USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 133 LYS NZ :NH3+ 167:sc= 0.934 (180deg=0.726) USER MOD Set 1.2: A 136 SER OG : rot 180:sc= -0.121 USER MOD Set 2.1: A 30 SER OG : rot -125:sc= -0.542 USER MOD Set 2.2: A 100 MET CE :methyl -141:sc= -1.48 (180deg=-4.58!) USER MOD Set 3.1: A 53 ASN :FLIP amide:sc= -1.8 F(o=-4.6!,f=-1.9) USER MOD Set 3.2: A 103 TYR OH : rot 0:sc= -0.106 USER MOD Set 4.1: A 23 MET CE :methyl -161:sc= -3.28 (180deg=-3.09) USER MOD Set 4.2: A 126 THR OG1 : rot -40:sc= -0.711 USER MOD Single : A 48 TYR OH : rot 74:sc= 0.258 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.182 F(o=-1.8!,f=-0.18) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.29 K(o=1.3,f=-3.5!) USER MOD Single : A 63 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.1) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= -2.61! (180deg=-2.88!) USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= -1.08 (180deg=-2.57!) USER MOD Single : A 77 THR OG1 : rot -175:sc= 1.41 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -116:sc= 0.783 (180deg=-0.661!) USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 0.786 (180deg=0.785) USER MOD Single : A 95 MET CE :methyl -120:sc= -0.22 (180deg=-4.21!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 106 MET CE :methyl -141:sc= 0 (180deg=-0.00367) USER MOD Single : A 124 LYS NZ :NH3+ -127:sc= 1.26 (180deg=0.0293) USER MOD Single : A 129 LYS NZ :NH3+ 174:sc= 0.938 (180deg=0.902) USER MOD Single : A 130 THR OG1 : rot 141:sc= 1.22 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 11.074 1.363 9.396 1.00 43.22 N ATOM 342 CA MET A 23 10.138 1.688 8.319 1.00 62.25 C ATOM 343 C MET A 23 10.796 2.591 7.258 1.00 1.13 C ATOM 344 O MET A 23 11.601 3.464 7.583 1.00 72.51 O ATOM 345 CB MET A 23 8.900 2.361 8.912 1.00 11.55 C ATOM 346 CG MET A 23 9.186 3.664 9.648 1.00 42.30 C ATOM 347 SD MET A 23 7.773 4.220 10.619 1.00 33.23 S ATOM 348 CE MET A 23 6.463 3.981 9.424 1.00 64.11 C ATOM 0 HA MET A 23 9.843 0.765 7.820 1.00 62.25 H new ATOM 0 HB2 MET A 23 8.189 2.559 8.110 1.00 11.55 H new ATOM 0 HB3 MET A 23 8.418 1.667 9.600 1.00 11.55 H new ATOM 0 HG2 MET A 23 10.045 3.528 10.305 1.00 42.30 H new ATOM 0 HG3 MET A 23 9.455 4.435 8.927 1.00 42.30 H new ATOM 0 HE1 MET A 23 5.594 4.571 9.714 1.00 64.11 H new ATOM 0 HE2 MET A 23 6.806 4.299 8.440 1.00 64.11 H new ATOM 0 HE3 MET A 23 6.190 2.926 9.389 1.00 64.11 H new ATOM 358 N LEU A 24 10.448 2.372 5.994 1.00 44.32 N ATOM 359 CA LEU A 24 11.056 3.108 4.874 1.00 50.20 C ATOM 360 C LEU A 24 10.201 4.298 4.422 1.00 41.32 C ATOM 361 O LEU A 24 8.994 4.171 4.224 1.00 25.11 O ATOM 362 CB LEU A 24 11.287 2.157 3.691 1.00 72.35 C ATOM 363 CG LEU A 24 12.575 1.329 3.768 1.00 31.35 C ATOM 364 CD1 LEU A 24 12.488 0.106 2.864 1.00 51.31 C ATOM 365 CD2 LEU A 24 13.786 2.182 3.387 1.00 44.32 C ATOM 0 H LEU A 24 9.745 1.689 5.712 1.00 44.32 H new ATOM 0 HA LEU A 24 12.007 3.506 5.227 1.00 50.20 H new ATOM 0 HB2 LEU A 24 10.439 1.476 3.620 1.00 72.35 H new ATOM 0 HB3 LEU A 24 11.303 2.742 2.772 1.00 72.35 H new ATOM 0 HG LEU A 24 12.696 0.989 4.797 1.00 31.35 H new ATOM 0 HD11 LEU A 24 13.413 -0.466 2.935 1.00 51.31 H new ATOM 0 HD12 LEU A 24 11.651 -0.518 3.176 1.00 51.31 H new ATOM 0 HD13 LEU A 24 12.338 0.426 1.833 1.00 51.31 H new ATOM 0 HD21 LEU A 24 14.691 1.577 3.448 1.00 44.32 H new ATOM 0 HD22 LEU A 24 13.665 2.552 2.369 1.00 44.32 H new ATOM 0 HD23 LEU A 24 13.867 3.026 4.073 1.00 44.32 H new ATOM 377 N GLU A 25 10.844 5.451 4.251 1.00 35.12 N ATOM 378 CA GLU A 25 10.175 6.635 3.698 1.00 31.45 C ATOM 379 C GLU A 25 10.151 6.584 2.169 1.00 3.34 C ATOM 380 O GLU A 25 11.179 6.736 1.507 1.00 31.24 O ATOM 381 CB GLU A 25 10.835 7.935 4.187 1.00 64.13 C ATOM 382 CG GLU A 25 10.075 8.590 5.334 1.00 41.34 C ATOM 383 CD GLU A 25 10.754 9.845 5.864 1.00 62.20 C ATOM 384 OE1 GLU A 25 10.484 10.944 5.327 1.00 13.21 O ATOM 385 OE2 GLU A 25 11.553 9.743 6.816 1.00 63.02 O ATOM 0 H GLU A 25 11.826 5.594 4.486 1.00 35.12 H new ATOM 0 HA GLU A 25 9.146 6.628 4.059 1.00 31.45 H new ATOM 0 HB2 GLU A 25 11.854 7.721 4.509 1.00 64.13 H new ATOM 0 HB3 GLU A 25 10.904 8.637 3.356 1.00 64.13 H new ATOM 0 HG2 GLU A 25 9.070 8.843 4.997 1.00 41.34 H new ATOM 0 HG3 GLU A 25 9.968 7.872 6.147 1.00 41.34 H new ATOM 392 N VAL A 26 8.964 6.378 1.628 1.00 64.02 N ATOM 393 CA VAL A 26 8.775 6.177 0.185 1.00 32.21 C ATOM 394 C VAL A 26 7.632 7.049 -0.351 1.00 4.14 C ATOM 395 O VAL A 26 6.798 7.519 0.417 1.00 52.14 O ATOM 396 CB VAL A 26 8.465 4.690 -0.132 1.00 24.43 C ATOM 397 CG1 VAL A 26 9.639 3.789 0.258 1.00 71.33 C ATOM 398 CG2 VAL A 26 7.181 4.244 0.572 1.00 23.20 C ATOM 0 H VAL A 26 8.099 6.344 2.167 1.00 64.02 H new ATOM 0 HA VAL A 26 9.706 6.466 -0.304 1.00 32.21 H new ATOM 0 HB VAL A 26 8.315 4.598 -1.208 1.00 24.43 H new ATOM 0 HG11 VAL A 26 9.395 2.752 0.025 1.00 71.33 H new ATOM 0 HG12 VAL A 26 10.527 4.087 -0.299 1.00 71.33 H new ATOM 0 HG13 VAL A 26 9.832 3.885 1.326 1.00 71.33 H new ATOM 0 HG21 VAL A 26 6.981 3.199 0.337 1.00 23.20 H new ATOM 0 HG22 VAL A 26 7.299 4.357 1.650 1.00 23.20 H new ATOM 0 HG23 VAL A 26 6.347 4.858 0.232 1.00 23.20 H new ATOM 408 N GLU A 27 7.584 7.265 -1.666 1.00 30.35 N ATOM 409 CA GLU A 27 6.480 8.033 -2.265 1.00 34.32 C ATOM 410 C GLU A 27 5.413 7.100 -2.859 1.00 20.35 C ATOM 411 O GLU A 27 5.708 6.255 -3.701 1.00 22.11 O ATOM 412 CB GLU A 27 6.997 9.004 -3.338 1.00 50.32 C ATOM 413 CG GLU A 27 5.924 9.966 -3.842 1.00 52.11 C ATOM 414 CD GLU A 27 6.461 11.020 -4.800 1.00 0.34 C ATOM 415 OE1 GLU A 27 7.247 11.885 -4.357 1.00 15.03 O ATOM 416 OE2 GLU A 27 6.097 10.991 -5.993 1.00 32.33 O ATOM 0 H GLU A 27 8.281 6.928 -2.331 1.00 30.35 H new ATOM 0 HA GLU A 27 6.019 8.617 -1.468 1.00 34.32 H new ATOM 0 HB2 GLU A 27 7.829 9.578 -2.929 1.00 50.32 H new ATOM 0 HB3 GLU A 27 7.388 8.432 -4.179 1.00 50.32 H new ATOM 0 HG2 GLU A 27 5.141 9.396 -4.342 1.00 52.11 H new ATOM 0 HG3 GLU A 27 5.462 10.462 -2.989 1.00 52.11 H new ATOM 423 N VAL A 28 4.173 7.269 -2.403 1.00 21.42 N ATOM 424 CA VAL A 28 3.054 6.406 -2.794 1.00 54.24 C ATOM 425 C VAL A 28 2.279 6.979 -3.992 1.00 12.33 C ATOM 426 O VAL A 28 1.679 8.052 -3.905 1.00 65.54 O ATOM 427 CB VAL A 28 2.069 6.222 -1.613 1.00 40.31 C ATOM 428 CG1 VAL A 28 0.917 5.301 -2.001 1.00 22.43 C ATOM 429 CG2 VAL A 28 2.797 5.704 -0.372 1.00 23.35 C ATOM 0 H VAL A 28 3.913 8.009 -1.751 1.00 21.42 H new ATOM 0 HA VAL A 28 3.484 5.446 -3.079 1.00 54.24 H new ATOM 0 HB VAL A 28 1.647 7.197 -1.370 1.00 40.31 H new ATOM 0 HG11 VAL A 28 0.240 5.189 -1.154 1.00 22.43 H new ATOM 0 HG12 VAL A 28 0.376 5.731 -2.844 1.00 22.43 H new ATOM 0 HG13 VAL A 28 1.311 4.325 -2.283 1.00 22.43 H new ATOM 0 HG21 VAL A 28 2.084 5.583 0.444 1.00 23.35 H new ATOM 0 HG22 VAL A 28 3.259 4.743 -0.596 1.00 23.35 H new ATOM 0 HG23 VAL A 28 3.567 6.417 -0.078 1.00 23.35 H new ATOM 439 N ILE A 29 2.277 6.255 -5.104 1.00 42.43 N ATOM 440 CA ILE A 29 1.568 6.702 -6.310 1.00 63.42 C ATOM 441 C ILE A 29 0.244 5.941 -6.490 1.00 54.20 C ATOM 442 O ILE A 29 0.042 4.885 -5.895 1.00 40.22 O ATOM 443 CB ILE A 29 2.436 6.504 -7.580 1.00 73.44 C ATOM 444 CG1 ILE A 29 3.929 6.550 -7.218 1.00 21.10 C ATOM 445 CG2 ILE A 29 2.101 7.584 -8.615 1.00 12.44 C ATOM 446 CD1 ILE A 29 4.853 6.201 -8.365 1.00 33.51 C ATOM 0 H ILE A 29 2.754 5.359 -5.202 1.00 42.43 H new ATOM 0 HA ILE A 29 1.360 7.764 -6.179 1.00 63.42 H new ATOM 0 HB ILE A 29 2.217 5.527 -8.010 1.00 73.44 H new ATOM 0 HG12 ILE A 29 4.174 7.549 -6.859 1.00 21.10 H new ATOM 0 HG13 ILE A 29 4.114 5.861 -6.394 1.00 21.10 H new ATOM 0 HG21 ILE A 29 2.714 7.439 -9.504 1.00 12.44 H new ATOM 0 HG22 ILE A 29 1.047 7.514 -8.886 1.00 12.44 H new ATOM 0 HG23 ILE A 29 2.303 8.568 -8.192 1.00 12.44 H new ATOM 0 HD11 ILE A 29 5.888 6.257 -8.028 1.00 33.51 H new ATOM 0 HD12 ILE A 29 4.638 5.190 -8.711 1.00 33.51 H new ATOM 0 HD13 ILE A 29 4.699 6.905 -9.183 1.00 33.51 H new ATOM 458 N SER A 30 -0.650 6.474 -7.325 1.00 2.44 N ATOM 459 CA SER A 30 -1.946 5.825 -7.588 1.00 34.04 C ATOM 460 C SER A 30 -2.241 5.747 -9.093 1.00 4.21 C ATOM 461 O SER A 30 -2.308 6.766 -9.777 1.00 55.42 O ATOM 462 CB SER A 30 -3.078 6.569 -6.872 1.00 31.53 C ATOM 463 OG SER A 30 -4.282 5.817 -6.901 1.00 70.53 O ATOM 0 H SER A 30 -0.506 7.348 -7.831 1.00 2.44 H new ATOM 0 HA SER A 30 -1.887 4.808 -7.200 1.00 34.04 H new ATOM 0 HB2 SER A 30 -2.792 6.764 -5.838 1.00 31.53 H new ATOM 0 HB3 SER A 30 -3.239 7.537 -7.347 1.00 31.53 H new ATOM 0 HG SER A 30 -4.998 6.361 -7.291 1.00 70.53 H new ATOM 469 N GLY A 31 -2.415 4.526 -9.601 1.00 15.43 N ATOM 470 CA GLY A 31 -2.683 4.331 -11.031 1.00 0.20 C ATOM 471 C GLY A 31 -4.104 3.844 -11.316 1.00 43.32 C ATOM 472 O GLY A 31 -4.587 2.926 -10.662 1.00 64.23 O ATOM 0 H GLY A 31 -2.376 3.666 -9.054 1.00 15.43 H new ATOM 0 HA2 GLY A 31 -2.516 5.271 -11.557 1.00 0.20 H new ATOM 0 HA3 GLY A 31 -1.971 3.610 -11.433 1.00 0.20 H new ATOM 711 N GLU A 47 -12.542 -8.625 -9.431 1.00 53.21 N ATOM 712 CA GLU A 47 -11.410 -8.079 -10.188 1.00 32.02 C ATOM 713 C GLU A 47 -10.849 -6.815 -9.519 1.00 20.44 C ATOM 714 O GLU A 47 -9.634 -6.636 -9.436 1.00 33.31 O ATOM 715 CB GLU A 47 -11.826 -7.781 -11.637 1.00 60.41 C ATOM 716 CG GLU A 47 -10.696 -7.233 -12.508 1.00 65.33 C ATOM 717 CD GLU A 47 -11.081 -7.144 -13.977 1.00 12.33 C ATOM 718 OE1 GLU A 47 -11.808 -6.200 -14.353 1.00 23.43 O ATOM 719 OE2 GLU A 47 -10.671 -8.028 -14.765 1.00 33.33 O ATOM 0 HA GLU A 47 -10.621 -8.831 -10.198 1.00 32.02 H new ATOM 0 HB2 GLU A 47 -12.209 -8.696 -12.090 1.00 60.41 H new ATOM 0 HB3 GLU A 47 -12.645 -7.062 -11.628 1.00 60.41 H new ATOM 0 HG2 GLU A 47 -10.413 -6.243 -12.150 1.00 65.33 H new ATOM 0 HG3 GLU A 47 -9.819 -7.872 -12.404 1.00 65.33 H new ATOM 726 N TYR A 48 -11.736 -5.953 -9.014 1.00 13.11 N ATOM 727 CA TYR A 48 -11.311 -4.731 -8.317 1.00 62.03 C ATOM 728 C TYR A 48 -10.493 -5.096 -7.069 1.00 53.44 C ATOM 729 O TYR A 48 -9.529 -4.419 -6.717 1.00 0.00 O ATOM 730 CB TYR A 48 -12.532 -3.877 -7.915 1.00 62.23 C ATOM 731 CG TYR A 48 -12.208 -2.408 -7.682 1.00 72.45 C ATOM 732 CD1 TYR A 48 -11.511 -1.984 -6.553 1.00 31.54 C ATOM 733 CD2 TYR A 48 -12.583 -1.444 -8.610 1.00 43.30 C ATOM 734 CE1 TYR A 48 -11.198 -0.651 -6.367 1.00 24.52 C ATOM 735 CE2 TYR A 48 -12.281 -0.110 -8.426 1.00 20.14 C ATOM 736 CZ TYR A 48 -11.585 0.281 -7.307 1.00 52.40 C ATOM 737 OH TYR A 48 -11.264 1.607 -7.129 1.00 70.34 O ATOM 0 H TYR A 48 -12.747 -6.075 -9.073 1.00 13.11 H new ATOM 0 HA TYR A 48 -10.690 -4.146 -8.996 1.00 62.03 H new ATOM 0 HB2 TYR A 48 -13.289 -3.953 -8.696 1.00 62.23 H new ATOM 0 HB3 TYR A 48 -12.969 -4.291 -7.006 1.00 62.23 H new ATOM 0 HD1 TYR A 48 -11.210 -2.709 -5.811 1.00 31.54 H new ATOM 0 HD2 TYR A 48 -13.123 -1.746 -9.495 1.00 43.30 H new ATOM 0 HE1 TYR A 48 -10.652 -0.340 -5.488 1.00 24.52 H new ATOM 0 HE2 TYR A 48 -12.590 0.623 -9.157 1.00 20.14 H new ATOM 0 HH TYR A 48 -10.309 1.739 -7.307 1.00 70.34 H new ATOM 747 N PHE A 49 -10.881 -6.196 -6.422 1.00 63.33 N ATOM 748 CA PHE A 49 -10.216 -6.671 -5.208 1.00 24.24 C ATOM 749 C PHE A 49 -8.746 -7.013 -5.490 1.00 64.31 C ATOM 750 O PHE A 49 -7.840 -6.302 -5.055 1.00 54.24 O ATOM 751 CB PHE A 49 -10.966 -7.896 -4.651 1.00 21.12 C ATOM 752 CG PHE A 49 -10.405 -8.445 -3.357 1.00 14.31 C ATOM 753 CD1 PHE A 49 -10.801 -7.919 -2.133 1.00 1.24 C ATOM 754 CD2 PHE A 49 -9.494 -9.493 -3.367 1.00 3.31 C ATOM 755 CE1 PHE A 49 -10.299 -8.427 -0.947 1.00 50.42 C ATOM 756 CE2 PHE A 49 -8.988 -10.002 -2.185 1.00 62.12 C ATOM 757 CZ PHE A 49 -9.391 -9.469 -0.974 1.00 53.12 C ATOM 0 H PHE A 49 -11.661 -6.780 -6.723 1.00 63.33 H new ATOM 0 HA PHE A 49 -10.235 -5.877 -4.462 1.00 24.24 H new ATOM 0 HB2 PHE A 49 -12.010 -7.625 -4.493 1.00 21.12 H new ATOM 0 HB3 PHE A 49 -10.952 -8.686 -5.402 1.00 21.12 H new ATOM 0 HD1 PHE A 49 -11.509 -7.104 -2.107 1.00 1.24 H new ATOM 0 HD2 PHE A 49 -9.177 -9.916 -4.309 1.00 3.31 H new ATOM 0 HE1 PHE A 49 -10.616 -8.010 -0.003 1.00 50.42 H new ATOM 0 HE2 PHE A 49 -8.278 -10.816 -2.207 1.00 62.12 H new ATOM 0 HZ PHE A 49 -8.997 -9.866 -0.050 1.00 53.12 H new ATOM 767 N ASN A 50 -8.509 -8.069 -6.269 1.00 20.21 N ATOM 768 CA ASN A 50 -7.140 -8.526 -6.533 1.00 73.13 C ATOM 769 C ASN A 50 -6.303 -7.460 -7.273 1.00 4.21 C ATOM 770 O ASN A 50 -5.075 -7.547 -7.323 1.00 64.45 O ATOM 771 CB ASN A 50 -7.140 -9.849 -7.319 1.00 43.44 C ATOM 772 CG ASN A 50 -7.780 -9.733 -8.693 1.00 14.40 C ATOM 773 OD1 ASN A 50 -9.053 -10.060 -8.789 1.00 31.30 O flip ATOM 774 ND2 ASN A 50 -7.124 -9.378 -9.668 1.00 20.25 N flip ATOM 0 H ASN A 50 -9.236 -8.620 -6.725 1.00 20.21 H new ATOM 0 HA ASN A 50 -6.672 -8.696 -5.563 1.00 73.13 H new ATOM 0 HB2 ASN A 50 -6.113 -10.196 -7.433 1.00 43.44 H new ATOM 0 HB3 ASN A 50 -7.670 -10.606 -6.742 1.00 43.44 H new ATOM 0 HD21 ASN A 50 -6.140 -9.132 -9.559 1.00 20.25 H new ATOM 0 HD22 ASN A 50 -7.563 -9.329 -10.588 1.00 20.25 H new ATOM 781 N ALA A 51 -6.973 -6.453 -7.834 1.00 23.21 N ATOM 782 CA ALA A 51 -6.297 -5.371 -8.558 1.00 64.20 C ATOM 783 C ALA A 51 -5.714 -4.303 -7.615 1.00 63.45 C ATOM 784 O ALA A 51 -4.561 -3.914 -7.754 1.00 23.44 O ATOM 785 CB ALA A 51 -7.257 -4.719 -9.547 1.00 35.05 C ATOM 0 H ALA A 51 -7.988 -6.362 -7.802 1.00 23.21 H new ATOM 0 HA ALA A 51 -5.462 -5.821 -9.095 1.00 64.20 H new ATOM 0 HB1 ALA A 51 -6.743 -3.918 -10.078 1.00 35.05 H new ATOM 0 HB2 ALA A 51 -7.604 -5.464 -10.263 1.00 35.05 H new ATOM 0 HB3 ALA A 51 -8.111 -4.308 -9.008 1.00 35.05 H new ATOM 791 N VAL A 52 -6.513 -3.825 -6.657 1.00 61.12 N ATOM 792 CA VAL A 52 -6.090 -2.704 -5.794 1.00 30.13 C ATOM 793 C VAL A 52 -5.604 -3.151 -4.402 1.00 71.14 C ATOM 794 O VAL A 52 -5.311 -2.317 -3.548 1.00 24.43 O ATOM 795 CB VAL A 52 -7.234 -1.674 -5.605 1.00 12.10 C ATOM 796 CG1 VAL A 52 -7.722 -1.152 -6.955 1.00 65.22 C ATOM 797 CG2 VAL A 52 -8.385 -2.277 -4.800 1.00 65.32 C ATOM 0 H VAL A 52 -7.445 -4.187 -6.456 1.00 61.12 H new ATOM 0 HA VAL A 52 -5.250 -2.247 -6.317 1.00 30.13 H new ATOM 0 HB VAL A 52 -6.839 -0.829 -5.040 1.00 12.10 H new ATOM 0 HG11 VAL A 52 -8.524 -0.431 -6.798 1.00 65.22 H new ATOM 0 HG12 VAL A 52 -6.897 -0.668 -7.478 1.00 65.22 H new ATOM 0 HG13 VAL A 52 -8.094 -1.984 -7.554 1.00 65.22 H new ATOM 0 HG21 VAL A 52 -9.174 -1.535 -4.682 1.00 65.32 H new ATOM 0 HG22 VAL A 52 -8.780 -3.146 -5.326 1.00 65.32 H new ATOM 0 HG23 VAL A 52 -8.022 -2.581 -3.818 1.00 65.32 H new ATOM 807 N ASN A 53 -5.512 -4.458 -4.171 1.00 32.41 N ATOM 808 CA ASN A 53 -5.139 -4.974 -2.840 1.00 65.22 C ATOM 809 C ASN A 53 -3.628 -5.199 -2.672 1.00 24.41 C ATOM 810 O ASN A 53 -3.210 -5.886 -1.745 1.00 44.23 O ATOM 811 CB ASN A 53 -5.886 -6.281 -2.538 1.00 31.10 C ATOM 812 CG ASN A 53 -7.343 -6.059 -2.177 1.00 73.25 C ATOM 813 OD1 ASN A 53 -7.978 -5.084 -2.794 1.00 22.42 O flip ATOM 814 ND2 ASN A 53 -7.903 -6.769 -1.358 1.00 30.11 N flip ATOM 0 H ASN A 53 -5.686 -5.178 -4.872 1.00 32.41 H new ATOM 0 HA ASN A 53 -5.430 -4.201 -2.129 1.00 65.22 H new ATOM 0 HB2 ASN A 53 -5.828 -6.936 -3.407 1.00 31.10 H new ATOM 0 HB3 ASN A 53 -5.388 -6.797 -1.717 1.00 31.10 H new ATOM 0 HD21 ASN A 53 -7.388 -7.517 -0.895 1.00 30.11 H new ATOM 0 HD22 ASN A 53 -8.887 -6.614 -1.137 1.00 30.11 H new ATOM 821 N TYR A 54 -2.806 -4.604 -3.530 1.00 64.23 N ATOM 822 CA TYR A 54 -1.349 -4.773 -3.418 1.00 62.40 C ATOM 823 C TYR A 54 -0.595 -3.456 -3.641 1.00 23.31 C ATOM 824 O TYR A 54 -1.146 -2.485 -4.160 1.00 3.23 O ATOM 825 CB TYR A 54 -0.844 -5.837 -4.411 1.00 31.05 C ATOM 826 CG TYR A 54 -0.934 -5.426 -5.874 1.00 53.41 C ATOM 827 CD1 TYR A 54 0.081 -4.684 -6.475 1.00 34.40 C ATOM 828 CD2 TYR A 54 -2.034 -5.774 -6.649 1.00 64.51 C ATOM 829 CE1 TYR A 54 -0.001 -4.299 -7.798 1.00 0.13 C ATOM 830 CE2 TYR A 54 -2.119 -5.396 -7.976 1.00 62.41 C ATOM 831 CZ TYR A 54 -1.101 -4.657 -8.544 1.00 55.55 C ATOM 832 OH TYR A 54 -1.187 -4.276 -9.863 1.00 74.32 O ATOM 0 H TYR A 54 -3.110 -4.009 -4.301 1.00 64.23 H new ATOM 0 HA TYR A 54 -1.148 -5.106 -2.400 1.00 62.40 H new ATOM 0 HB2 TYR A 54 0.194 -6.072 -4.176 1.00 31.05 H new ATOM 0 HB3 TYR A 54 -1.419 -6.752 -4.267 1.00 31.05 H new ATOM 0 HD1 TYR A 54 0.948 -4.405 -5.895 1.00 34.40 H new ATOM 0 HD2 TYR A 54 -2.835 -6.349 -6.208 1.00 64.51 H new ATOM 0 HE1 TYR A 54 0.793 -3.720 -8.245 1.00 0.13 H new ATOM 0 HE2 TYR A 54 -2.979 -5.678 -8.566 1.00 62.41 H new ATOM 0 HH TYR A 54 -2.025 -4.610 -10.246 1.00 74.32 H new ATOM 842 N ALA A 55 0.675 -3.444 -3.241 1.00 34.43 N ATOM 843 CA ALA A 55 1.577 -2.316 -3.497 1.00 62.12 C ATOM 844 C ALA A 55 2.885 -2.803 -4.139 1.00 61.35 C ATOM 845 O ALA A 55 3.370 -3.891 -3.823 1.00 54.42 O ATOM 846 CB ALA A 55 1.867 -1.563 -2.200 1.00 21.42 C ATOM 0 H ALA A 55 1.110 -4.213 -2.731 1.00 34.43 H new ATOM 0 HA ALA A 55 1.087 -1.635 -4.193 1.00 62.12 H new ATOM 0 HB1 ALA A 55 2.538 -0.729 -2.406 1.00 21.42 H new ATOM 0 HB2 ALA A 55 0.934 -1.184 -1.783 1.00 21.42 H new ATOM 0 HB3 ALA A 55 2.337 -2.238 -1.485 1.00 21.42 H new ATOM 852 N GLU A 56 3.440 -2.007 -5.047 1.00 73.43 N ATOM 853 CA GLU A 56 4.700 -2.345 -5.714 1.00 22.44 C ATOM 854 C GLU A 56 5.899 -1.693 -5.010 1.00 33.03 C ATOM 855 O GLU A 56 6.018 -0.468 -4.980 1.00 71.50 O ATOM 856 CB GLU A 56 4.665 -1.907 -7.186 1.00 24.20 C ATOM 857 CG GLU A 56 3.581 -2.590 -8.018 1.00 74.52 C ATOM 858 CD GLU A 56 3.729 -2.342 -9.516 1.00 74.24 C ATOM 859 OE1 GLU A 56 4.548 -1.486 -9.917 1.00 41.13 O ATOM 860 OE2 GLU A 56 3.036 -3.022 -10.303 1.00 0.52 O ATOM 0 H GLU A 56 3.037 -1.118 -5.342 1.00 73.43 H new ATOM 0 HA GLU A 56 4.817 -3.427 -5.663 1.00 22.44 H new ATOM 0 HB2 GLU A 56 4.514 -0.828 -7.229 1.00 24.20 H new ATOM 0 HB3 GLU A 56 5.636 -2.111 -7.637 1.00 24.20 H new ATOM 0 HG2 GLU A 56 3.609 -3.663 -7.829 1.00 74.52 H new ATOM 0 HG3 GLU A 56 2.604 -2.234 -7.692 1.00 74.52 H new ATOM 867 N ILE A 57 6.784 -2.520 -4.453 1.00 44.42 N ATOM 868 CA ILE A 57 7.987 -2.035 -3.763 1.00 70.10 C ATOM 869 C ILE A 57 9.261 -2.372 -4.570 1.00 35.12 C ATOM 870 O ILE A 57 9.294 -3.349 -5.322 1.00 12.45 O ATOM 871 CB ILE A 57 8.110 -2.636 -2.328 1.00 15.25 C ATOM 872 CG1 ILE A 57 6.842 -2.348 -1.492 1.00 11.35 C ATOM 873 CG2 ILE A 57 9.344 -2.087 -1.613 1.00 14.33 C ATOM 874 CD1 ILE A 57 5.687 -3.291 -1.767 1.00 35.34 C ATOM 0 H ILE A 57 6.692 -3.536 -4.465 1.00 44.42 H new ATOM 0 HA ILE A 57 7.889 -0.953 -3.679 1.00 70.10 H new ATOM 0 HB ILE A 57 8.216 -3.716 -2.431 1.00 15.25 H new ATOM 0 HG12 ILE A 57 7.098 -2.404 -0.434 1.00 11.35 H new ATOM 0 HG13 ILE A 57 6.516 -1.326 -1.687 1.00 11.35 H new ATOM 0 HG21 ILE A 57 9.409 -2.520 -0.615 1.00 14.33 H new ATOM 0 HG22 ILE A 57 10.238 -2.346 -2.180 1.00 14.33 H new ATOM 0 HG23 ILE A 57 9.266 -1.003 -1.534 1.00 14.33 H new ATOM 0 HD11 ILE A 57 4.838 -3.019 -1.139 1.00 35.34 H new ATOM 0 HD12 ILE A 57 5.400 -3.219 -2.816 1.00 35.34 H new ATOM 0 HD13 ILE A 57 5.991 -4.314 -1.543 1.00 35.34 H new ATOM 886 N ASN A 58 10.294 -1.536 -4.426 1.00 4.20 N ATOM 887 CA ASN A 58 11.581 -1.730 -5.117 1.00 2.33 C ATOM 888 C ASN A 58 12.350 -2.943 -4.552 1.00 62.33 C ATOM 889 O ASN A 58 12.168 -3.318 -3.399 1.00 2.13 O ATOM 890 CB ASN A 58 12.426 -0.454 -4.975 1.00 44.12 C ATOM 891 CG ASN A 58 13.774 -0.550 -5.673 1.00 62.43 C ATOM 892 OD1 ASN A 58 14.758 -0.997 -5.093 1.00 10.20 O ATOM 893 ND2 ASN A 58 13.829 -0.132 -6.920 1.00 22.32 N ATOM 0 H ASN A 58 10.266 -0.708 -3.831 1.00 4.20 H new ATOM 0 HA ASN A 58 11.383 -1.930 -6.170 1.00 2.33 H new ATOM 0 HB2 ASN A 58 11.871 0.390 -5.385 1.00 44.12 H new ATOM 0 HB3 ASN A 58 12.585 -0.247 -3.917 1.00 44.12 H new ATOM 0 HD21 ASN A 58 14.709 -0.174 -7.434 1.00 22.32 H new ATOM 0 HD22 ASN A 58 12.991 0.234 -7.373 1.00 22.32 H new ATOM 900 N GLU A 59 13.224 -3.534 -5.371 1.00 10.23 N ATOM 901 CA GLU A 59 14.027 -4.704 -4.963 1.00 10.30 C ATOM 902 C GLU A 59 14.828 -4.448 -3.666 1.00 70.11 C ATOM 903 O GLU A 59 14.796 -5.252 -2.730 1.00 30.21 O ATOM 904 CB GLU A 59 14.981 -5.093 -6.102 1.00 33.44 C ATOM 905 CG GLU A 59 15.885 -6.293 -5.807 1.00 31.11 C ATOM 906 CD GLU A 59 15.128 -7.608 -5.649 1.00 51.15 C ATOM 907 OE1 GLU A 59 14.680 -8.177 -6.667 1.00 31.43 O ATOM 908 OE2 GLU A 59 14.993 -8.095 -4.509 1.00 25.52 O ATOM 0 H GLU A 59 13.399 -3.224 -6.327 1.00 10.23 H new ATOM 0 HA GLU A 59 13.336 -5.521 -4.756 1.00 10.30 H new ATOM 0 HB2 GLU A 59 14.390 -5.312 -6.992 1.00 33.44 H new ATOM 0 HB3 GLU A 59 15.609 -4.234 -6.340 1.00 33.44 H new ATOM 0 HG2 GLU A 59 16.611 -6.397 -6.614 1.00 31.11 H new ATOM 0 HG3 GLU A 59 16.448 -6.097 -4.895 1.00 31.11 H new ATOM 915 N GLU A 60 15.537 -3.318 -3.613 1.00 62.02 N ATOM 916 CA GLU A 60 16.383 -2.988 -2.457 1.00 21.34 C ATOM 917 C GLU A 60 15.545 -2.722 -1.195 1.00 12.25 C ATOM 918 O GLU A 60 15.871 -3.206 -0.105 1.00 34.31 O ATOM 919 CB GLU A 60 17.266 -1.771 -2.771 1.00 11.32 C ATOM 920 CG GLU A 60 18.164 -1.961 -3.987 1.00 24.02 C ATOM 921 CD GLU A 60 19.058 -3.186 -3.876 1.00 62.55 C ATOM 922 OE1 GLU A 60 20.064 -3.136 -3.136 1.00 2.54 O ATOM 923 OE2 GLU A 60 18.758 -4.209 -4.526 1.00 21.45 O ATOM 0 H GLU A 60 15.544 -2.616 -4.353 1.00 62.02 H new ATOM 0 HA GLU A 60 17.019 -3.851 -2.259 1.00 21.34 H new ATOM 0 HB2 GLU A 60 16.627 -0.903 -2.934 1.00 11.32 H new ATOM 0 HB3 GLU A 60 17.887 -1.551 -1.903 1.00 11.32 H new ATOM 0 HG2 GLU A 60 17.545 -2.049 -4.880 1.00 24.02 H new ATOM 0 HG3 GLU A 60 18.785 -1.075 -4.116 1.00 24.02 H new ATOM 930 N ASP A 61 14.470 -1.951 -1.347 1.00 21.10 N ATOM 931 CA ASP A 61 13.571 -1.643 -0.229 1.00 54.01 C ATOM 932 C ASP A 61 12.822 -2.899 0.249 1.00 41.04 C ATOM 933 O ASP A 61 12.592 -3.087 1.446 1.00 42.34 O ATOM 934 CB ASP A 61 12.580 -0.548 -0.640 1.00 4.13 C ATOM 935 CG ASP A 61 13.280 0.762 -0.959 1.00 14.24 C ATOM 936 OD1 ASP A 61 13.813 1.397 -0.025 1.00 23.33 O ATOM 937 OD2 ASP A 61 13.320 1.153 -2.142 1.00 42.51 O ATOM 0 H ASP A 61 14.197 -1.526 -2.233 1.00 21.10 H new ATOM 0 HA ASP A 61 14.174 -1.282 0.604 1.00 54.01 H new ATOM 0 HB2 ASP A 61 12.015 -0.879 -1.511 1.00 4.13 H new ATOM 0 HB3 ASP A 61 11.862 -0.389 0.164 1.00 4.13 H new ATOM 942 N TRP A 62 12.466 -3.755 -0.703 1.00 10.40 N ATOM 943 CA TRP A 62 11.804 -5.034 -0.422 1.00 32.23 C ATOM 944 C TRP A 62 12.596 -5.858 0.603 1.00 15.21 C ATOM 945 O TRP A 62 12.069 -6.280 1.638 1.00 62.42 O ATOM 946 CB TRP A 62 11.672 -5.819 -1.735 1.00 5.51 C ATOM 947 CG TRP A 62 10.997 -7.149 -1.602 1.00 12.33 C ATOM 948 CD1 TRP A 62 11.573 -8.340 -1.258 1.00 11.34 C ATOM 949 CD2 TRP A 62 9.618 -7.425 -1.838 1.00 50.42 C ATOM 950 NE1 TRP A 62 10.630 -9.335 -1.262 1.00 1.12 N ATOM 951 CE2 TRP A 62 9.423 -8.798 -1.615 1.00 45.33 C ATOM 952 CE3 TRP A 62 8.526 -6.640 -2.215 1.00 1.42 C ATOM 953 CZ2 TRP A 62 8.183 -9.399 -1.759 1.00 60.32 C ATOM 954 CZ3 TRP A 62 7.295 -7.240 -2.350 1.00 73.22 C ATOM 955 CH2 TRP A 62 7.132 -8.611 -2.125 1.00 33.02 C ATOM 0 H TRP A 62 12.627 -3.585 -1.696 1.00 10.40 H new ATOM 0 HA TRP A 62 10.819 -4.837 0.002 1.00 32.23 H new ATOM 0 HB2 TRP A 62 11.115 -5.214 -2.450 1.00 5.51 H new ATOM 0 HB3 TRP A 62 12.667 -5.972 -2.153 1.00 5.51 H new ATOM 0 HD1 TRP A 62 12.617 -8.477 -1.018 1.00 11.34 H new ATOM 0 HE1 TRP A 62 10.801 -10.315 -1.038 1.00 1.12 H new ATOM 0 HE3 TRP A 62 8.645 -5.582 -2.397 1.00 1.42 H new ATOM 0 HZ2 TRP A 62 8.053 -10.457 -1.587 1.00 60.32 H new ATOM 0 HZ3 TRP A 62 6.441 -6.643 -2.634 1.00 73.22 H new ATOM 0 HH2 TRP A 62 6.154 -9.054 -2.244 1.00 33.02 H new ATOM 966 N ASN A 63 13.870 -6.075 0.305 1.00 2.41 N ATOM 967 CA ASN A 63 14.757 -6.838 1.188 1.00 55.23 C ATOM 968 C ASN A 63 15.110 -6.052 2.461 1.00 63.21 C ATOM 969 O ASN A 63 15.367 -6.643 3.509 1.00 62.34 O ATOM 970 CB ASN A 63 16.019 -7.235 0.421 1.00 44.40 C ATOM 971 CG ASN A 63 15.706 -8.179 -0.725 1.00 23.30 C ATOM 972 OD1 ASN A 63 14.822 -9.024 -0.625 1.00 14.44 O ATOM 973 ND2 ASN A 63 16.396 -8.028 -1.833 1.00 62.01 N ATOM 0 H ASN A 63 14.319 -5.733 -0.545 1.00 2.41 H new ATOM 0 HA ASN A 63 14.233 -7.738 1.509 1.00 55.23 H new ATOM 0 HB2 ASN A 63 16.505 -6.340 0.033 1.00 44.40 H new ATOM 0 HB3 ASN A 63 16.724 -7.711 1.102 1.00 44.40 H new ATOM 0 HD21 ASN A 63 16.202 -8.622 -2.639 1.00 62.01 H new ATOM 0 HD22 ASN A 63 17.125 -7.317 -1.887 1.00 62.01 H new ATOM 980 N ALA A 64 15.107 -4.723 2.367 1.00 54.33 N ATOM 981 CA ALA A 64 15.350 -3.858 3.534 1.00 2.32 C ATOM 982 C ALA A 64 14.285 -4.071 4.624 1.00 33.24 C ATOM 983 O ALA A 64 14.581 -4.038 5.820 1.00 74.34 O ATOM 984 CB ALA A 64 15.381 -2.396 3.107 1.00 43.31 C ATOM 0 H ALA A 64 14.940 -4.216 1.498 1.00 54.33 H new ATOM 0 HA ALA A 64 16.318 -4.129 3.955 1.00 2.32 H new ATOM 0 HB1 ALA A 64 15.561 -1.766 3.978 1.00 43.31 H new ATOM 0 HB2 ALA A 64 16.179 -2.246 2.380 1.00 43.31 H new ATOM 0 HB3 ALA A 64 14.425 -2.128 2.657 1.00 43.31 H new ATOM 990 N LEU A 65 13.041 -4.279 4.199 1.00 70.10 N ATOM 991 CA LEU A 65 11.937 -4.560 5.125 1.00 30.52 C ATOM 992 C LEU A 65 11.805 -6.066 5.410 1.00 52.21 C ATOM 993 O LEU A 65 11.033 -6.477 6.279 1.00 33.22 O ATOM 994 CB LEU A 65 10.621 -4.032 4.539 1.00 52.53 C ATOM 995 CG LEU A 65 10.560 -2.514 4.312 1.00 21.12 C ATOM 996 CD1 LEU A 65 9.280 -2.126 3.579 1.00 42.03 C ATOM 997 CD2 LEU A 65 10.673 -1.763 5.637 1.00 53.04 C ATOM 0 H LEU A 65 12.768 -4.259 3.217 1.00 70.10 H new ATOM 0 HA LEU A 65 12.155 -4.056 6.066 1.00 30.52 H new ATOM 0 HB2 LEU A 65 10.441 -4.532 3.587 1.00 52.53 H new ATOM 0 HB3 LEU A 65 9.807 -4.315 5.206 1.00 52.53 H new ATOM 0 HG LEU A 65 11.407 -2.231 3.687 1.00 21.12 H new ATOM 0 HD11 LEU A 65 9.259 -1.046 3.430 1.00 42.03 H new ATOM 0 HD12 LEU A 65 9.249 -2.627 2.611 1.00 42.03 H new ATOM 0 HD13 LEU A 65 8.416 -2.427 4.171 1.00 42.03 H new ATOM 0 HD21 LEU A 65 10.627 -0.690 5.452 1.00 53.04 H new ATOM 0 HD22 LEU A 65 9.851 -2.054 6.291 1.00 53.04 H new ATOM 0 HD23 LEU A 65 11.621 -2.009 6.115 1.00 53.04 H new ATOM 1009 N GLY A 66 12.561 -6.880 4.676 1.00 72.31 N ATOM 1010 CA GLY A 66 12.463 -8.329 4.816 1.00 53.24 C ATOM 1011 C GLY A 66 11.115 -8.875 4.357 1.00 35.11 C ATOM 1012 O GLY A 66 10.487 -9.676 5.051 1.00 63.11 O ATOM 0 H GLY A 66 13.241 -6.564 3.985 1.00 72.31 H new ATOM 0 HA2 GLY A 66 13.257 -8.800 4.237 1.00 53.24 H new ATOM 0 HA3 GLY A 66 12.624 -8.601 5.859 1.00 53.24 H new ATOM 1016 N LEU A 67 10.664 -8.435 3.188 1.00 73.30 N ATOM 1017 CA LEU A 67 9.358 -8.839 2.659 1.00 44.03 C ATOM 1018 C LEU A 67 9.438 -10.161 1.877 1.00 52.21 C ATOM 1019 O LEU A 67 10.484 -10.515 1.329 1.00 73.34 O ATOM 1020 CB LEU A 67 8.799 -7.735 1.749 1.00 4.33 C ATOM 1021 CG LEU A 67 8.659 -6.350 2.401 1.00 70.11 C ATOM 1022 CD1 LEU A 67 8.130 -5.328 1.394 1.00 20.23 C ATOM 1023 CD2 LEU A 67 7.756 -6.419 3.629 1.00 62.41 C ATOM 0 H LEU A 67 11.182 -7.797 2.584 1.00 73.30 H new ATOM 0 HA LEU A 67 8.693 -8.994 3.509 1.00 44.03 H new ATOM 0 HB2 LEU A 67 9.447 -7.643 0.877 1.00 4.33 H new ATOM 0 HB3 LEU A 67 7.820 -8.048 1.387 1.00 4.33 H new ATOM 0 HG LEU A 67 9.648 -6.026 2.725 1.00 70.11 H new ATOM 0 HD11 LEU A 67 8.039 -4.355 1.877 1.00 20.23 H new ATOM 0 HD12 LEU A 67 8.821 -5.253 0.554 1.00 20.23 H new ATOM 0 HD13 LEU A 67 7.152 -5.646 1.032 1.00 20.23 H new ATOM 0 HD21 LEU A 67 7.671 -5.428 4.074 1.00 62.41 H new ATOM 0 HD22 LEU A 67 6.767 -6.770 3.334 1.00 62.41 H new ATOM 0 HD23 LEU A 67 8.184 -7.108 4.357 1.00 62.41 H new ATOM 1035 N GLN A 68 8.330 -10.893 1.852 1.00 10.22 N ATOM 1036 CA GLN A 68 8.201 -12.089 1.017 1.00 33.31 C ATOM 1037 C GLN A 68 7.045 -11.906 0.021 1.00 22.12 C ATOM 1038 O GLN A 68 6.054 -11.247 0.334 1.00 45.43 O ATOM 1039 CB GLN A 68 7.960 -13.326 1.893 1.00 42.41 C ATOM 1040 CG GLN A 68 7.964 -14.640 1.119 1.00 61.23 C ATOM 1041 CD GLN A 68 7.924 -15.856 2.029 1.00 45.34 C ATOM 1042 OE1 GLN A 68 7.362 -15.815 3.116 1.00 42.10 O ATOM 1043 NE2 GLN A 68 8.527 -16.943 1.593 1.00 4.13 N ATOM 0 H GLN A 68 7.500 -10.679 2.404 1.00 10.22 H new ATOM 0 HA GLN A 68 9.127 -12.235 0.461 1.00 33.31 H new ATOM 0 HB2 GLN A 68 8.728 -13.368 2.665 1.00 42.41 H new ATOM 0 HB3 GLN A 68 7.002 -13.218 2.402 1.00 42.41 H new ATOM 0 HG2 GLN A 68 7.105 -14.665 0.448 1.00 61.23 H new ATOM 0 HG3 GLN A 68 8.857 -14.687 0.495 1.00 61.23 H new ATOM 0 HE21 GLN A 68 8.985 -16.941 0.682 1.00 4.13 H new ATOM 0 HE22 GLN A 68 8.536 -17.786 2.167 1.00 4.13 H new ATOM 1052 N GLU A 69 7.177 -12.456 -1.185 1.00 35.11 N ATOM 1053 CA GLU A 69 6.138 -12.302 -2.215 1.00 12.24 C ATOM 1054 C GLU A 69 4.769 -12.796 -1.721 1.00 42.14 C ATOM 1055 O GLU A 69 4.554 -13.996 -1.534 1.00 21.23 O ATOM 1056 CB GLU A 69 6.551 -13.026 -3.503 1.00 61.33 C ATOM 1057 CG GLU A 69 7.697 -12.336 -4.235 1.00 52.14 C ATOM 1058 CD GLU A 69 8.151 -13.087 -5.478 1.00 75.22 C ATOM 1059 OE1 GLU A 69 7.359 -13.197 -6.439 1.00 44.42 O ATOM 1060 OE2 GLU A 69 9.305 -13.564 -5.503 1.00 51.13 O ATOM 0 H GLU A 69 7.984 -13.008 -1.476 1.00 35.11 H new ATOM 0 HA GLU A 69 6.038 -11.238 -2.431 1.00 12.24 H new ATOM 0 HB2 GLU A 69 6.845 -14.047 -3.261 1.00 61.33 H new ATOM 0 HB3 GLU A 69 5.690 -13.092 -4.168 1.00 61.33 H new ATOM 0 HG2 GLU A 69 7.386 -11.331 -4.519 1.00 52.14 H new ATOM 0 HG3 GLU A 69 8.542 -12.228 -3.555 1.00 52.14 H new ATOM 1067 N GLY A 70 3.850 -11.851 -1.509 1.00 5.31 N ATOM 1068 CA GLY A 70 2.529 -12.176 -0.970 1.00 73.11 C ATOM 1069 C GLY A 70 2.355 -11.764 0.493 1.00 63.13 C ATOM 1070 O GLY A 70 1.324 -12.040 1.104 1.00 43.30 O ATOM 0 H GLY A 70 3.996 -10.860 -1.701 1.00 5.31 H new ATOM 0 HA2 GLY A 70 1.767 -11.682 -1.573 1.00 73.11 H new ATOM 0 HA3 GLY A 70 2.361 -13.249 -1.061 1.00 73.11 H new ATOM 1074 N ASP A 71 3.366 -11.103 1.056 1.00 32.42 N ATOM 1075 CA ASP A 71 3.329 -10.646 2.453 1.00 61.41 C ATOM 1076 C ASP A 71 2.327 -9.495 2.673 1.00 23.13 C ATOM 1077 O ASP A 71 1.739 -8.970 1.728 1.00 22.42 O ATOM 1078 CB ASP A 71 4.733 -10.189 2.886 1.00 75.21 C ATOM 1079 CG ASP A 71 5.186 -10.838 4.177 1.00 74.41 C ATOM 1080 OD1 ASP A 71 4.371 -10.935 5.118 1.00 75.41 O ATOM 1081 OD2 ASP A 71 6.359 -11.260 4.252 1.00 51.42 O ATOM 0 H ASP A 71 4.229 -10.869 0.565 1.00 32.42 H new ATOM 0 HA ASP A 71 2.998 -11.490 3.059 1.00 61.41 H new ATOM 0 HB2 ASP A 71 5.447 -10.423 2.096 1.00 75.21 H new ATOM 0 HB3 ASP A 71 4.737 -9.106 3.008 1.00 75.21 H new ATOM 1086 N ARG A 72 2.148 -9.107 3.939 1.00 0.21 N ATOM 1087 CA ARG A 72 1.311 -7.951 4.298 1.00 4.34 C ATOM 1088 C ARG A 72 2.185 -6.752 4.702 1.00 64.52 C ATOM 1089 O ARG A 72 3.013 -6.852 5.611 1.00 20.53 O ATOM 1090 CB ARG A 72 0.347 -8.292 5.451 1.00 14.33 C ATOM 1091 CG ARG A 72 -0.841 -9.177 5.064 1.00 33.31 C ATOM 1092 CD ARG A 72 -0.420 -10.591 4.679 1.00 74.42 C ATOM 1093 NE ARG A 72 -1.575 -11.447 4.407 1.00 12.35 N ATOM 1094 CZ ARG A 72 -1.618 -12.356 3.471 1.00 24.42 C ATOM 1095 NH1 ARG A 72 -0.622 -12.531 2.669 1.00 43.43 N ATOM 1096 NH2 ARG A 72 -2.669 -13.089 3.327 1.00 44.24 N ATOM 0 H ARG A 72 2.573 -9.577 4.738 1.00 0.21 H new ATOM 0 HA ARG A 72 0.724 -7.690 3.418 1.00 4.34 H new ATOM 0 HB2 ARG A 72 0.910 -8.791 6.239 1.00 14.33 H new ATOM 0 HB3 ARG A 72 -0.035 -7.362 5.872 1.00 14.33 H new ATOM 0 HG2 ARG A 72 -1.540 -9.225 5.899 1.00 33.31 H new ATOM 0 HG3 ARG A 72 -1.372 -8.720 4.229 1.00 33.31 H new ATOM 0 HD2 ARG A 72 0.219 -10.552 3.797 1.00 74.42 H new ATOM 0 HD3 ARG A 72 0.173 -11.026 5.484 1.00 74.42 H new ATOM 0 HE ARG A 72 -2.404 -11.325 4.989 1.00 12.35 H new ATOM 0 HH11 ARG A 72 0.215 -11.955 2.761 1.00 43.43 H new ATOM 0 HH12 ARG A 72 -0.671 -13.246 1.943 1.00 43.43 H new ATOM 0 HH21 ARG A 72 -3.470 -12.959 3.945 1.00 44.24 H new ATOM 0 HH22 ARG A 72 -2.700 -13.798 2.595 1.00 44.24 H new ATOM 1110 N VAL A 73 1.999 -5.622 4.026 1.00 23.21 N ATOM 1111 CA VAL A 73 2.761 -4.405 4.327 1.00 61.41 C ATOM 1112 C VAL A 73 1.857 -3.249 4.777 1.00 51.55 C ATOM 1113 O VAL A 73 0.729 -3.093 4.300 1.00 0.11 O ATOM 1114 CB VAL A 73 3.607 -3.940 3.113 1.00 44.41 C ATOM 1115 CG1 VAL A 73 4.734 -4.927 2.835 1.00 31.24 C ATOM 1116 CG2 VAL A 73 2.732 -3.752 1.875 1.00 10.15 C ATOM 0 H VAL A 73 1.328 -5.519 3.265 1.00 23.21 H new ATOM 0 HA VAL A 73 3.427 -4.669 5.149 1.00 61.41 H new ATOM 0 HB VAL A 73 4.050 -2.975 3.359 1.00 44.41 H new ATOM 0 HG11 VAL A 73 5.316 -4.583 1.980 1.00 31.24 H new ATOM 0 HG12 VAL A 73 5.381 -4.997 3.710 1.00 31.24 H new ATOM 0 HG13 VAL A 73 4.313 -5.908 2.616 1.00 31.24 H new ATOM 0 HG21 VAL A 73 3.350 -3.426 1.039 1.00 10.15 H new ATOM 0 HG22 VAL A 73 2.250 -4.697 1.623 1.00 10.15 H new ATOM 0 HG23 VAL A 73 1.971 -2.999 2.079 1.00 10.15 H new ATOM 1126 N LYS A 74 2.364 -2.446 5.706 1.00 30.22 N ATOM 1127 CA LYS A 74 1.671 -1.246 6.168 1.00 20.30 C ATOM 1128 C LYS A 74 2.181 -0.011 5.414 1.00 12.34 C ATOM 1129 O LYS A 74 3.384 0.153 5.218 1.00 31.14 O ATOM 1130 CB LYS A 74 1.875 -1.051 7.679 1.00 70.11 C ATOM 1131 CG LYS A 74 1.267 0.241 8.220 1.00 51.00 C ATOM 1132 CD LYS A 74 -0.263 0.235 8.167 1.00 12.01 C ATOM 1133 CE LYS A 74 -0.881 -0.268 9.465 1.00 15.44 C ATOM 1134 NZ LYS A 74 -0.334 -1.581 9.888 1.00 71.30 N ATOM 0 H LYS A 74 3.263 -2.606 6.159 1.00 30.22 H new ATOM 0 HA LYS A 74 0.607 -1.371 5.969 1.00 20.30 H new ATOM 0 HB2 LYS A 74 1.437 -1.897 8.208 1.00 70.11 H new ATOM 0 HB3 LYS A 74 2.943 -1.058 7.896 1.00 70.11 H new ATOM 0 HG2 LYS A 74 1.591 0.388 9.250 1.00 51.00 H new ATOM 0 HG3 LYS A 74 1.644 1.086 7.644 1.00 51.00 H new ATOM 0 HD2 LYS A 74 -0.622 1.244 7.963 1.00 12.01 H new ATOM 0 HD3 LYS A 74 -0.594 -0.395 7.341 1.00 12.01 H new ATOM 0 HE2 LYS A 74 -0.707 0.464 10.253 1.00 15.44 H new ATOM 0 HE3 LYS A 74 -1.961 -0.352 9.340 1.00 15.44 H new ATOM 0 HZ1 LYS A 74 -0.725 -1.837 10.817 1.00 71.30 H new ATOM 0 HZ2 LYS A 74 -0.595 -2.307 9.191 1.00 71.30 H new ATOM 0 HZ3 LYS A 74 0.702 -1.521 9.953 1.00 71.30 H new ATOM 1148 N VAL A 75 1.258 0.855 5.013 1.00 63.24 N ATOM 1149 CA VAL A 75 1.584 2.084 4.283 1.00 12.23 C ATOM 1150 C VAL A 75 0.993 3.287 5.025 1.00 13.33 C ATOM 1151 O VAL A 75 -0.218 3.351 5.239 1.00 15.41 O ATOM 1152 CB VAL A 75 1.032 2.051 2.833 1.00 51.31 C ATOM 1153 CG1 VAL A 75 1.414 3.323 2.076 1.00 22.05 C ATOM 1154 CG2 VAL A 75 1.521 0.804 2.092 1.00 30.11 C ATOM 0 H VAL A 75 0.260 0.729 5.183 1.00 63.24 H new ATOM 0 HA VAL A 75 2.669 2.168 4.229 1.00 12.23 H new ATOM 0 HB VAL A 75 -0.056 2.005 2.886 1.00 51.31 H new ATOM 0 HG11 VAL A 75 1.016 3.277 1.062 1.00 22.05 H new ATOM 0 HG12 VAL A 75 0.999 4.190 2.589 1.00 22.05 H new ATOM 0 HG13 VAL A 75 2.500 3.410 2.036 1.00 22.05 H new ATOM 0 HG21 VAL A 75 1.121 0.803 1.078 1.00 30.11 H new ATOM 0 HG22 VAL A 75 2.610 0.808 2.052 1.00 30.11 H new ATOM 0 HG23 VAL A 75 1.180 -0.088 2.617 1.00 30.11 H new ATOM 1164 N LYS A 76 1.845 4.222 5.432 1.00 53.43 N ATOM 1165 CA LYS A 76 1.423 5.324 6.310 1.00 53.24 C ATOM 1166 C LYS A 76 1.861 6.688 5.772 1.00 51.42 C ATOM 1167 O LYS A 76 3.017 6.883 5.401 1.00 72.34 O ATOM 1168 CB LYS A 76 2.010 5.104 7.708 1.00 43.44 C ATOM 1169 CG LYS A 76 1.725 3.712 8.256 1.00 4.23 C ATOM 1170 CD LYS A 76 2.526 3.397 9.511 1.00 34.30 C ATOM 1171 CE LYS A 76 1.909 3.988 10.778 1.00 22.00 C ATOM 1172 NZ LYS A 76 1.828 5.475 10.753 1.00 34.41 N ATOM 0 H LYS A 76 2.831 4.245 5.172 1.00 53.43 H new ATOM 0 HA LYS A 76 0.334 5.326 6.351 1.00 53.24 H new ATOM 0 HB2 LYS A 76 3.088 5.262 7.673 1.00 43.44 H new ATOM 0 HB3 LYS A 76 1.600 5.849 8.390 1.00 43.44 H new ATOM 0 HG2 LYS A 76 0.661 3.625 8.478 1.00 4.23 H new ATOM 0 HG3 LYS A 76 1.953 2.971 7.490 1.00 4.23 H new ATOM 0 HD2 LYS A 76 2.605 2.316 9.623 1.00 34.30 H new ATOM 0 HD3 LYS A 76 3.540 3.781 9.394 1.00 34.30 H new ATOM 0 HE2 LYS A 76 0.908 3.578 10.912 1.00 22.00 H new ATOM 0 HE3 LYS A 76 2.499 3.677 11.640 1.00 22.00 H new ATOM 0 HZ1 LYS A 76 1.935 5.845 11.719 1.00 34.41 H new ATOM 0 HZ2 LYS A 76 2.587 5.854 10.151 1.00 34.41 H new ATOM 0 HZ3 LYS A 76 0.905 5.766 10.371 1.00 34.41 H new ATOM 1186 N THR A 77 0.929 7.632 5.748 1.00 43.12 N ATOM 1187 CA THR A 77 1.204 9.001 5.279 1.00 2.23 C ATOM 1188 C THR A 77 0.580 10.040 6.216 1.00 31.34 C ATOM 1189 O THR A 77 0.053 9.708 7.278 1.00 12.12 O ATOM 1190 CB THR A 77 0.642 9.260 3.856 1.00 60.14 C ATOM 1191 OG1 THR A 77 -0.794 9.298 3.890 1.00 75.32 O ATOM 1192 CG2 THR A 77 1.101 8.196 2.866 1.00 61.00 C ATOM 0 H THR A 77 -0.034 7.481 6.049 1.00 43.12 H new ATOM 0 HA THR A 77 2.290 9.097 5.264 1.00 2.23 H new ATOM 0 HB THR A 77 1.028 10.223 3.522 1.00 60.14 H new ATOM 0 HG1 THR A 77 -1.141 9.376 2.977 1.00 75.32 H new ATOM 0 HG21 THR A 77 0.687 8.412 1.881 1.00 61.00 H new ATOM 0 HG22 THR A 77 2.190 8.197 2.810 1.00 61.00 H new ATOM 0 HG23 THR A 77 0.755 7.217 3.198 1.00 61.00 H new ATOM 1200 N GLU A 78 0.630 11.305 5.805 1.00 53.44 N ATOM 1201 CA GLU A 78 0.000 12.398 6.553 1.00 12.40 C ATOM 1202 C GLU A 78 -1.538 12.357 6.443 1.00 13.22 C ATOM 1203 O GLU A 78 -2.236 13.129 7.101 1.00 53.23 O ATOM 1204 CB GLU A 78 0.548 13.740 6.049 1.00 0.11 C ATOM 1205 CG GLU A 78 0.373 13.956 4.548 1.00 4.23 C ATOM 1206 CD GLU A 78 1.231 15.093 4.019 1.00 52.22 C ATOM 1207 OE1 GLU A 78 2.395 14.838 3.636 1.00 71.14 O ATOM 1208 OE2 GLU A 78 0.756 16.248 3.996 1.00 30.44 O ATOM 0 H GLU A 78 1.103 11.603 4.952 1.00 53.44 H new ATOM 0 HA GLU A 78 0.244 12.279 7.609 1.00 12.40 H new ATOM 0 HB2 GLU A 78 0.049 14.549 6.583 1.00 0.11 H new ATOM 0 HB3 GLU A 78 1.608 13.803 6.294 1.00 0.11 H new ATOM 0 HG2 GLU A 78 0.628 13.037 4.020 1.00 4.23 H new ATOM 0 HG3 GLU A 78 -0.675 14.166 4.334 1.00 4.23 H new ATOM 1215 N PHE A 79 -2.060 11.453 5.613 1.00 1.32 N ATOM 1216 CA PHE A 79 -3.512 11.260 5.480 1.00 21.30 C ATOM 1217 C PHE A 79 -4.004 10.109 6.378 1.00 4.54 C ATOM 1218 O PHE A 79 -4.929 10.282 7.177 1.00 53.24 O ATOM 1219 CB PHE A 79 -3.880 10.992 4.011 1.00 43.21 C ATOM 1220 CG PHE A 79 -3.612 12.166 3.100 1.00 62.15 C ATOM 1221 CD1 PHE A 79 -4.584 13.134 2.894 1.00 2.23 C ATOM 1222 CD2 PHE A 79 -2.390 12.306 2.457 1.00 42.45 C ATOM 1223 CE1 PHE A 79 -4.345 14.213 2.067 1.00 1.42 C ATOM 1224 CE2 PHE A 79 -2.146 13.385 1.628 1.00 15.23 C ATOM 1225 CZ PHE A 79 -3.126 14.339 1.434 1.00 23.14 C ATOM 0 H PHE A 79 -1.501 10.840 5.020 1.00 1.32 H new ATOM 0 HA PHE A 79 -4.008 12.174 5.806 1.00 21.30 H new ATOM 0 HB2 PHE A 79 -3.316 10.130 3.655 1.00 43.21 H new ATOM 0 HB3 PHE A 79 -4.936 10.729 3.951 1.00 43.21 H new ATOM 0 HD1 PHE A 79 -5.540 13.042 3.387 1.00 2.23 H new ATOM 0 HD2 PHE A 79 -1.620 11.563 2.606 1.00 42.45 H new ATOM 0 HE1 PHE A 79 -5.112 14.958 1.916 1.00 1.42 H new ATOM 0 HE2 PHE A 79 -1.191 13.482 1.133 1.00 15.23 H new ATOM 0 HZ PHE A 79 -2.938 15.183 0.787 1.00 23.14 H new ATOM 1235 N GLY A 80 -3.373 8.943 6.254 1.00 54.44 N ATOM 1236 CA GLY A 80 -3.739 7.789 7.074 1.00 43.32 C ATOM 1237 C GLY A 80 -2.847 6.577 6.817 1.00 35.20 C ATOM 1238 O GLY A 80 -1.757 6.714 6.256 1.00 52.41 O ATOM 0 H GLY A 80 -2.611 8.772 5.598 1.00 54.44 H new ATOM 0 HA2 GLY A 80 -3.678 8.063 8.127 1.00 43.32 H new ATOM 0 HA3 GLY A 80 -4.776 7.521 6.874 1.00 43.32 H new ATOM 1242 N GLU A 81 -3.297 5.392 7.228 1.00 44.13 N ATOM 1243 CA GLU A 81 -2.532 4.160 7.005 1.00 65.44 C ATOM 1244 C GLU A 81 -3.420 3.009 6.507 1.00 22.31 C ATOM 1245 O GLU A 81 -4.608 2.935 6.823 1.00 52.33 O ATOM 1246 CB GLU A 81 -1.787 3.735 8.282 1.00 41.31 C ATOM 1247 CG GLU A 81 -2.680 3.388 9.472 1.00 42.14 C ATOM 1248 CD GLU A 81 -3.379 4.597 10.075 1.00 61.32 C ATOM 1249 OE1 GLU A 81 -2.683 5.466 10.648 1.00 12.54 O ATOM 1250 OE2 GLU A 81 -4.625 4.677 9.992 1.00 35.11 O ATOM 0 H GLU A 81 -4.183 5.256 7.715 1.00 44.13 H new ATOM 0 HA GLU A 81 -1.803 4.380 6.225 1.00 65.44 H new ATOM 0 HB2 GLU A 81 -1.166 2.870 8.050 1.00 41.31 H new ATOM 0 HB3 GLU A 81 -1.114 4.541 8.576 1.00 41.31 H new ATOM 0 HG2 GLU A 81 -3.431 2.664 9.155 1.00 42.14 H new ATOM 0 HG3 GLU A 81 -2.077 2.905 10.241 1.00 42.14 H new ATOM 1257 N VAL A 82 -2.827 2.111 5.722 1.00 63.54 N ATOM 1258 CA VAL A 82 -3.550 0.962 5.163 1.00 75.21 C ATOM 1259 C VAL A 82 -2.649 -0.290 5.102 1.00 71.22 C ATOM 1260 O VAL A 82 -1.422 -0.180 5.041 1.00 61.55 O ATOM 1261 CB VAL A 82 -4.083 1.300 3.743 1.00 25.44 C ATOM 1262 CG1 VAL A 82 -2.937 1.449 2.742 1.00 52.51 C ATOM 1263 CG2 VAL A 82 -5.099 0.263 3.268 1.00 0.41 C ATOM 0 H VAL A 82 -1.843 2.155 5.456 1.00 63.54 H new ATOM 0 HA VAL A 82 -4.392 0.745 5.820 1.00 75.21 H new ATOM 0 HB VAL A 82 -4.596 2.260 3.805 1.00 25.44 H new ATOM 0 HG11 VAL A 82 -3.342 1.685 1.758 1.00 52.51 H new ATOM 0 HG12 VAL A 82 -2.275 2.252 3.064 1.00 52.51 H new ATOM 0 HG13 VAL A 82 -2.376 0.516 2.689 1.00 52.51 H new ATOM 0 HG21 VAL A 82 -5.452 0.529 2.272 1.00 0.41 H new ATOM 0 HG22 VAL A 82 -4.628 -0.720 3.236 1.00 0.41 H new ATOM 0 HG23 VAL A 82 -5.943 0.238 3.957 1.00 0.41 H new ATOM 1273 N VAL A 83 -3.261 -1.478 5.146 1.00 75.25 N ATOM 1274 CA VAL A 83 -2.520 -2.749 5.035 1.00 63.10 C ATOM 1275 C VAL A 83 -2.872 -3.476 3.723 1.00 14.13 C ATOM 1276 O VAL A 83 -4.039 -3.788 3.474 1.00 44.01 O ATOM 1277 CB VAL A 83 -2.822 -3.693 6.235 1.00 60.23 C ATOM 1278 CG1 VAL A 83 -1.973 -4.962 6.158 1.00 75.53 C ATOM 1279 CG2 VAL A 83 -2.604 -2.978 7.570 1.00 44.02 C ATOM 0 H VAL A 83 -4.269 -1.591 5.258 1.00 75.25 H new ATOM 0 HA VAL A 83 -1.459 -2.500 5.041 1.00 63.10 H new ATOM 0 HB VAL A 83 -3.872 -3.980 6.175 1.00 60.23 H new ATOM 0 HG11 VAL A 83 -2.202 -5.605 7.008 1.00 75.53 H new ATOM 0 HG12 VAL A 83 -2.194 -5.492 5.231 1.00 75.53 H new ATOM 0 HG13 VAL A 83 -0.916 -4.695 6.180 1.00 75.53 H new ATOM 0 HG21 VAL A 83 -2.823 -3.663 8.389 1.00 44.02 H new ATOM 0 HG22 VAL A 83 -1.568 -2.647 7.641 1.00 44.02 H new ATOM 0 HG23 VAL A 83 -3.266 -2.114 7.632 1.00 44.02 H new ATOM 1289 N VAL A 84 -1.860 -3.744 2.891 1.00 44.13 N ATOM 1290 CA VAL A 84 -2.069 -4.385 1.578 1.00 42.21 C ATOM 1291 C VAL A 84 -1.082 -5.545 1.331 1.00 55.41 C ATOM 1292 O VAL A 84 -0.152 -5.765 2.111 1.00 12.45 O ATOM 1293 CB VAL A 84 -1.919 -3.359 0.421 1.00 14.20 C ATOM 1294 CG1 VAL A 84 -2.962 -2.250 0.529 1.00 53.22 C ATOM 1295 CG2 VAL A 84 -0.510 -2.768 0.395 1.00 12.34 C ATOM 0 H VAL A 84 -0.885 -3.529 3.099 1.00 44.13 H new ATOM 0 HA VAL A 84 -3.084 -4.782 1.596 1.00 42.21 H new ATOM 0 HB VAL A 84 -2.086 -3.891 -0.516 1.00 14.20 H new ATOM 0 HG11 VAL A 84 -2.832 -1.547 -0.294 1.00 53.22 H new ATOM 0 HG12 VAL A 84 -3.961 -2.684 0.482 1.00 53.22 H new ATOM 0 HG13 VAL A 84 -2.839 -1.726 1.477 1.00 53.22 H new ATOM 0 HG21 VAL A 84 -0.430 -2.053 -0.424 1.00 12.34 H new ATOM 0 HG22 VAL A 84 -0.310 -2.262 1.340 1.00 12.34 H new ATOM 0 HG23 VAL A 84 0.217 -3.567 0.251 1.00 12.34 H new ATOM 1305 N PHE A 85 -1.296 -6.285 0.239 1.00 60.42 N ATOM 1306 CA PHE A 85 -0.366 -7.346 -0.182 1.00 75.10 C ATOM 1307 C PHE A 85 0.918 -6.748 -0.779 1.00 22.21 C ATOM 1308 O PHE A 85 0.890 -5.700 -1.428 1.00 1.40 O ATOM 1309 CB PHE A 85 -1.023 -8.280 -1.214 1.00 22.42 C ATOM 1310 CG PHE A 85 -2.179 -9.092 -0.678 1.00 71.02 C ATOM 1311 CD1 PHE A 85 -1.954 -10.171 0.164 1.00 30.21 C ATOM 1312 CD2 PHE A 85 -3.490 -8.787 -1.026 1.00 12.22 C ATOM 1313 CE1 PHE A 85 -3.008 -10.923 0.647 1.00 34.44 C ATOM 1314 CE2 PHE A 85 -4.545 -9.536 -0.542 1.00 24.45 C ATOM 1315 CZ PHE A 85 -4.303 -10.605 0.294 1.00 33.02 C ATOM 0 H PHE A 85 -2.105 -6.171 -0.372 1.00 60.42 H new ATOM 0 HA PHE A 85 -0.110 -7.924 0.706 1.00 75.10 H new ATOM 0 HB2 PHE A 85 -1.375 -7.682 -2.055 1.00 22.42 H new ATOM 0 HB3 PHE A 85 -0.266 -8.961 -1.602 1.00 22.42 H new ATOM 0 HD1 PHE A 85 -0.943 -10.426 0.445 1.00 30.21 H new ATOM 0 HD2 PHE A 85 -3.686 -7.953 -1.684 1.00 12.22 H new ATOM 0 HE1 PHE A 85 -2.818 -11.761 1.302 1.00 34.44 H new ATOM 0 HE2 PHE A 85 -5.558 -9.284 -0.818 1.00 24.45 H new ATOM 0 HZ PHE A 85 -5.126 -11.193 0.672 1.00 33.02 H new ATOM 1325 N ALA A 86 2.042 -7.419 -0.564 1.00 72.21 N ATOM 1326 CA ALA A 86 3.336 -6.932 -1.048 1.00 14.52 C ATOM 1327 C ALA A 86 3.741 -7.563 -2.392 1.00 24.14 C ATOM 1328 O ALA A 86 3.899 -8.783 -2.498 1.00 32.23 O ATOM 1329 CB ALA A 86 4.408 -7.201 -0.001 1.00 51.12 C ATOM 0 H ALA A 86 2.088 -8.303 -0.058 1.00 72.21 H new ATOM 0 HA ALA A 86 3.238 -5.860 -1.217 1.00 14.52 H new ATOM 0 HB1 ALA A 86 5.370 -6.838 -0.363 1.00 51.12 H new ATOM 0 HB2 ALA A 86 4.151 -6.685 0.924 1.00 51.12 H new ATOM 0 HB3 ALA A 86 4.472 -8.273 0.187 1.00 51.12 H new ATOM 1335 N LYS A 87 3.916 -6.717 -3.412 1.00 25.30 N ATOM 1336 CA LYS A 87 4.460 -7.147 -4.709 1.00 71.31 C ATOM 1337 C LYS A 87 5.685 -6.311 -5.085 1.00 52.04 C ATOM 1338 O LYS A 87 5.828 -5.166 -4.661 1.00 25.45 O ATOM 1339 CB LYS A 87 3.417 -7.030 -5.836 1.00 15.15 C ATOM 1340 CG LYS A 87 2.231 -7.978 -5.729 1.00 61.35 C ATOM 1341 CD LYS A 87 1.448 -8.004 -7.044 1.00 32.42 C ATOM 1342 CE LYS A 87 0.162 -8.805 -6.933 1.00 40.32 C ATOM 1343 NZ LYS A 87 -0.465 -9.038 -8.264 1.00 13.23 N ATOM 0 H LYS A 87 3.688 -5.724 -3.366 1.00 25.30 H new ATOM 0 HA LYS A 87 4.742 -8.194 -4.599 1.00 71.31 H new ATOM 0 HB2 LYS A 87 3.042 -6.007 -5.856 1.00 15.15 H new ATOM 0 HB3 LYS A 87 3.916 -7.205 -6.789 1.00 15.15 H new ATOM 0 HG2 LYS A 87 2.580 -8.982 -5.487 1.00 61.35 H new ATOM 0 HG3 LYS A 87 1.578 -7.663 -4.916 1.00 61.35 H new ATOM 0 HD2 LYS A 87 1.213 -6.983 -7.345 1.00 32.42 H new ATOM 0 HD3 LYS A 87 2.073 -8.431 -7.828 1.00 32.42 H new ATOM 0 HE2 LYS A 87 0.371 -9.763 -6.458 1.00 40.32 H new ATOM 0 HE3 LYS A 87 -0.540 -8.276 -6.289 1.00 40.32 H new ATOM 0 HZ1 LYS A 87 -1.340 -9.588 -8.144 1.00 13.23 H new ATOM 0 HZ2 LYS A 87 -0.688 -8.124 -8.707 1.00 13.23 H new ATOM 0 HZ3 LYS A 87 0.195 -9.565 -8.871 1.00 13.23 H new ATOM 1357 N LYS A 88 6.571 -6.896 -5.876 1.00 45.34 N ATOM 1358 CA LYS A 88 7.762 -6.197 -6.335 1.00 52.30 C ATOM 1359 C LYS A 88 7.518 -5.601 -7.730 1.00 4.42 C ATOM 1360 O LYS A 88 7.319 -6.331 -8.702 1.00 32.31 O ATOM 1361 CB LYS A 88 8.947 -7.166 -6.354 1.00 24.33 C ATOM 1362 CG LYS A 88 10.277 -6.475 -6.127 1.00 15.05 C ATOM 1363 CD LYS A 88 11.456 -7.436 -6.233 1.00 14.13 C ATOM 1364 CE LYS A 88 11.380 -8.557 -5.202 1.00 73.53 C ATOM 1365 NZ LYS A 88 12.516 -9.505 -5.338 1.00 21.41 N ATOM 0 H LYS A 88 6.488 -7.855 -6.214 1.00 45.34 H new ATOM 0 HA LYS A 88 7.991 -5.379 -5.653 1.00 52.30 H new ATOM 0 HB2 LYS A 88 8.802 -7.925 -5.585 1.00 24.33 H new ATOM 0 HB3 LYS A 88 8.971 -7.684 -7.313 1.00 24.33 H new ATOM 0 HG2 LYS A 88 10.397 -5.675 -6.857 1.00 15.05 H new ATOM 0 HG3 LYS A 88 10.278 -6.010 -5.141 1.00 15.05 H new ATOM 0 HD2 LYS A 88 11.483 -7.867 -7.234 1.00 14.13 H new ATOM 0 HD3 LYS A 88 12.386 -6.884 -6.099 1.00 14.13 H new ATOM 0 HE2 LYS A 88 11.380 -8.130 -4.199 1.00 73.53 H new ATOM 0 HE3 LYS A 88 10.440 -9.096 -5.319 1.00 73.53 H new ATOM 0 HZ1 LYS A 88 12.155 -10.443 -5.605 1.00 21.41 H new ATOM 0 HZ2 LYS A 88 13.168 -9.163 -6.073 1.00 21.41 H new ATOM 0 HZ3 LYS A 88 13.022 -9.573 -4.432 1.00 21.41 H new ATOM 1379 N GLY A 89 7.527 -4.275 -7.828 1.00 33.42 N ATOM 1380 CA GLY A 89 7.103 -3.620 -9.065 1.00 75.12 C ATOM 1381 C GLY A 89 8.207 -2.874 -9.803 1.00 61.25 C ATOM 1382 O GLY A 89 9.396 -3.101 -9.576 1.00 74.53 O ATOM 0 H GLY A 89 7.817 -3.642 -7.083 1.00 33.42 H new ATOM 0 HA2 GLY A 89 6.683 -4.372 -9.733 1.00 75.12 H new ATOM 0 HA3 GLY A 89 6.302 -2.918 -8.832 1.00 75.12 H new ATOM 1386 N ASP A 90 7.793 -1.970 -10.690 1.00 54.32 N ATOM 1387 CA ASP A 90 8.716 -1.212 -11.546 1.00 55.24 C ATOM 1388 C ASP A 90 9.086 0.142 -10.919 1.00 43.42 C ATOM 1389 O ASP A 90 9.497 1.076 -11.614 1.00 34.15 O ATOM 1390 CB ASP A 90 8.061 -0.991 -12.912 1.00 10.23 C ATOM 1391 CG ASP A 90 7.602 -2.290 -13.542 1.00 33.34 C ATOM 1392 OD1 ASP A 90 6.497 -2.766 -13.203 1.00 32.13 O ATOM 1393 OD2 ASP A 90 8.343 -2.847 -14.376 1.00 31.13 O ATOM 0 H ASP A 90 6.810 -1.740 -10.838 1.00 54.32 H new ATOM 0 HA ASP A 90 9.636 -1.786 -11.657 1.00 55.24 H new ATOM 0 HB2 ASP A 90 7.208 -0.322 -12.800 1.00 10.23 H new ATOM 0 HB3 ASP A 90 8.769 -0.497 -13.577 1.00 10.23 H new ATOM 1398 N VAL A 91 8.957 0.232 -9.603 1.00 23.41 N ATOM 1399 CA VAL A 91 9.180 1.487 -8.881 1.00 61.22 C ATOM 1400 C VAL A 91 10.657 1.681 -8.493 1.00 42.35 C ATOM 1401 O VAL A 91 11.363 0.717 -8.182 1.00 32.44 O ATOM 1402 CB VAL A 91 8.302 1.542 -7.609 1.00 3.31 C ATOM 1403 CG1 VAL A 91 6.823 1.550 -7.984 1.00 61.33 C ATOM 1404 CG2 VAL A 91 8.618 0.369 -6.685 1.00 13.55 C ATOM 0 H VAL A 91 8.697 -0.553 -9.005 1.00 23.41 H new ATOM 0 HA VAL A 91 8.901 2.295 -9.557 1.00 61.22 H new ATOM 0 HB VAL A 91 8.527 2.465 -7.074 1.00 3.31 H new ATOM 0 HG11 VAL A 91 6.218 1.589 -7.078 1.00 61.33 H new ATOM 0 HG12 VAL A 91 6.609 2.423 -8.601 1.00 61.33 H new ATOM 0 HG13 VAL A 91 6.584 0.644 -8.541 1.00 61.33 H new ATOM 0 HG21 VAL A 91 7.990 0.426 -5.796 1.00 13.55 H new ATOM 0 HG22 VAL A 91 8.424 -0.568 -7.207 1.00 13.55 H new ATOM 0 HG23 VAL A 91 9.667 0.410 -6.391 1.00 13.55 H new ATOM 1414 N PRO A 92 11.148 2.938 -8.517 1.00 20.01 N ATOM 1415 CA PRO A 92 12.542 3.254 -8.158 1.00 51.24 C ATOM 1416 C PRO A 92 12.805 3.223 -6.639 1.00 43.12 C ATOM 1417 O PRO A 92 11.888 3.050 -5.833 1.00 25.33 O ATOM 1418 CB PRO A 92 12.721 4.673 -8.713 1.00 3.24 C ATOM 1419 CG PRO A 92 11.358 5.274 -8.643 1.00 22.25 C ATOM 1420 CD PRO A 92 10.393 4.147 -8.910 1.00 54.34 C ATOM 0 HA PRO A 92 13.241 2.521 -8.561 1.00 51.24 H new ATOM 0 HB2 PRO A 92 13.437 5.243 -8.122 1.00 3.24 H new ATOM 0 HB3 PRO A 92 13.095 4.655 -9.737 1.00 3.24 H new ATOM 0 HG2 PRO A 92 11.177 5.719 -7.664 1.00 22.25 H new ATOM 0 HG3 PRO A 92 11.244 6.069 -9.380 1.00 22.25 H new ATOM 0 HD2 PRO A 92 9.479 4.256 -8.326 1.00 54.34 H new ATOM 0 HD3 PRO A 92 10.099 4.112 -9.959 1.00 54.34 H new ATOM 1428 N LYS A 93 14.071 3.393 -6.263 1.00 32.20 N ATOM 1429 CA LYS A 93 14.485 3.378 -4.854 1.00 35.12 C ATOM 1430 C LYS A 93 13.739 4.443 -4.025 1.00 50.24 C ATOM 1431 O LYS A 93 13.750 5.629 -4.367 1.00 53.51 O ATOM 1432 CB LYS A 93 16.002 3.610 -4.764 1.00 23.23 C ATOM 1433 CG LYS A 93 16.564 3.524 -3.350 1.00 31.14 C ATOM 1434 CD LYS A 93 16.450 2.112 -2.782 1.00 24.01 C ATOM 1435 CE LYS A 93 16.922 2.044 -1.337 1.00 12.41 C ATOM 1436 NZ LYS A 93 16.109 2.910 -0.442 1.00 30.21 N ATOM 0 H LYS A 93 14.837 3.544 -6.919 1.00 32.20 H new ATOM 0 HA LYS A 93 14.232 2.403 -4.438 1.00 35.12 H new ATOM 0 HB2 LYS A 93 16.508 2.875 -5.390 1.00 23.23 H new ATOM 0 HB3 LYS A 93 16.233 4.592 -5.176 1.00 23.23 H new ATOM 0 HG2 LYS A 93 17.610 3.831 -3.355 1.00 31.14 H new ATOM 0 HG3 LYS A 93 16.030 4.221 -2.703 1.00 31.14 H new ATOM 0 HD2 LYS A 93 15.414 1.779 -2.842 1.00 24.01 H new ATOM 0 HD3 LYS A 93 17.041 1.427 -3.390 1.00 24.01 H new ATOM 0 HE2 LYS A 93 16.871 1.013 -0.987 1.00 12.41 H new ATOM 0 HE3 LYS A 93 17.967 2.348 -1.283 1.00 12.41 H new ATOM 0 HZ1 LYS A 93 16.475 2.846 0.529 1.00 30.21 H new ATOM 0 HZ2 LYS A 93 16.164 3.896 -0.769 1.00 30.21 H new ATOM 0 HZ3 LYS A 93 15.118 2.594 -0.460 1.00 30.21 H new ATOM 1450 N GLY A 94 13.105 4.016 -2.930 1.00 63.02 N ATOM 1451 CA GLY A 94 12.375 4.944 -2.068 1.00 43.44 C ATOM 1452 C GLY A 94 11.055 5.443 -2.661 1.00 24.04 C ATOM 1453 O GLY A 94 10.606 6.556 -2.357 1.00 4.02 O ATOM 0 H GLY A 94 13.083 3.044 -2.623 1.00 63.02 H new ATOM 0 HA2 GLY A 94 12.171 4.454 -1.116 1.00 43.44 H new ATOM 0 HA3 GLY A 94 13.012 5.802 -1.855 1.00 43.44 H new ATOM 1457 N MET A 95 10.425 4.626 -3.498 1.00 21.43 N ATOM 1458 CA MET A 95 9.148 4.978 -4.113 1.00 73.30 C ATOM 1459 C MET A 95 8.308 3.714 -4.353 1.00 12.35 C ATOM 1460 O MET A 95 8.848 2.681 -4.736 1.00 14.14 O ATOM 1461 CB MET A 95 9.421 5.709 -5.435 1.00 32.40 C ATOM 1462 CG MET A 95 8.241 6.504 -5.962 1.00 14.35 C ATOM 1463 SD MET A 95 8.664 7.443 -7.446 1.00 21.41 S ATOM 1464 CE MET A 95 7.264 8.558 -7.575 1.00 44.33 C ATOM 0 H MET A 95 10.780 3.709 -3.768 1.00 21.43 H new ATOM 0 HA MET A 95 8.584 5.633 -3.448 1.00 73.30 H new ATOM 0 HB2 MET A 95 10.266 6.383 -5.296 1.00 32.40 H new ATOM 0 HB3 MET A 95 9.717 4.978 -6.187 1.00 32.40 H new ATOM 0 HG2 MET A 95 7.418 5.825 -6.185 1.00 14.35 H new ATOM 0 HG3 MET A 95 7.890 7.187 -5.189 1.00 14.35 H new ATOM 0 HE1 MET A 95 6.755 8.394 -8.525 1.00 44.33 H new ATOM 0 HE2 MET A 95 6.572 8.369 -6.755 1.00 44.33 H new ATOM 0 HE3 MET A 95 7.614 9.589 -7.524 1.00 44.33 H new ATOM 1474 N ILE A 96 6.996 3.783 -4.112 1.00 23.15 N ATOM 1475 CA ILE A 96 6.117 2.617 -4.307 1.00 23.21 C ATOM 1476 C ILE A 96 4.829 2.984 -5.064 1.00 65.24 C ATOM 1477 O ILE A 96 4.318 4.100 -4.958 1.00 13.14 O ATOM 1478 CB ILE A 96 5.740 1.928 -2.963 1.00 45.35 C ATOM 1479 CG1 ILE A 96 4.929 2.870 -2.058 1.00 51.13 C ATOM 1480 CG2 ILE A 96 6.992 1.435 -2.238 1.00 21.52 C ATOM 1481 CD1 ILE A 96 4.449 2.221 -0.773 1.00 62.34 C ATOM 0 H ILE A 96 6.519 4.623 -3.785 1.00 23.15 H new ATOM 0 HA ILE A 96 6.694 1.915 -4.909 1.00 23.21 H new ATOM 0 HB ILE A 96 5.113 1.068 -3.197 1.00 45.35 H new ATOM 0 HG12 ILE A 96 5.542 3.737 -1.810 1.00 51.13 H new ATOM 0 HG13 ILE A 96 4.066 3.238 -2.613 1.00 51.13 H new ATOM 0 HG21 ILE A 96 6.705 0.957 -1.301 1.00 21.52 H new ATOM 0 HG22 ILE A 96 7.517 0.716 -2.867 1.00 21.52 H new ATOM 0 HG23 ILE A 96 7.648 2.280 -2.028 1.00 21.52 H new ATOM 0 HD11 ILE A 96 3.885 2.947 -0.187 1.00 62.34 H new ATOM 0 HD12 ILE A 96 3.809 1.371 -1.011 1.00 62.34 H new ATOM 0 HD13 ILE A 96 5.308 1.878 -0.196 1.00 62.34 H new ATOM 1493 N PHE A 97 4.310 2.027 -5.830 1.00 23.12 N ATOM 1494 CA PHE A 97 3.096 2.239 -6.633 1.00 61.24 C ATOM 1495 C PHE A 97 1.900 1.464 -6.062 1.00 64.13 C ATOM 1496 O PHE A 97 1.996 0.269 -5.791 1.00 34.20 O ATOM 1497 CB PHE A 97 3.350 1.801 -8.085 1.00 44.43 C ATOM 1498 CG PHE A 97 2.131 1.874 -8.974 1.00 5.44 C ATOM 1499 CD1 PHE A 97 1.778 3.062 -9.600 1.00 13.51 C ATOM 1500 CD2 PHE A 97 1.340 0.749 -9.188 1.00 24.30 C ATOM 1501 CE1 PHE A 97 0.664 3.127 -10.414 1.00 14.12 C ATOM 1502 CE2 PHE A 97 0.226 0.811 -10.004 1.00 33.44 C ATOM 1503 CZ PHE A 97 -0.111 2.001 -10.617 1.00 51.22 C ATOM 0 H PHE A 97 4.709 1.092 -5.915 1.00 23.12 H new ATOM 0 HA PHE A 97 2.855 3.302 -6.603 1.00 61.24 H new ATOM 0 HB2 PHE A 97 4.134 2.427 -8.510 1.00 44.43 H new ATOM 0 HB3 PHE A 97 3.725 0.777 -8.084 1.00 44.43 H new ATOM 0 HD1 PHE A 97 2.381 3.945 -9.449 1.00 13.51 H new ATOM 0 HD2 PHE A 97 1.600 -0.184 -8.710 1.00 24.30 H new ATOM 0 HE1 PHE A 97 0.398 4.058 -10.892 1.00 14.12 H new ATOM 0 HE2 PHE A 97 -0.379 -0.069 -10.162 1.00 33.44 H new ATOM 0 HZ PHE A 97 -0.981 2.052 -11.255 1.00 51.22 H new ATOM 1513 N ILE A 98 0.771 2.149 -5.887 1.00 52.13 N ATOM 1514 CA ILE A 98 -0.471 1.496 -5.461 1.00 11.44 C ATOM 1515 C ILE A 98 -1.606 1.755 -6.473 1.00 41.42 C ATOM 1516 O ILE A 98 -1.840 2.894 -6.883 1.00 21.24 O ATOM 1517 CB ILE A 98 -0.914 1.968 -4.047 1.00 73.41 C ATOM 1518 CG1 ILE A 98 0.175 1.642 -3.006 1.00 35.44 C ATOM 1519 CG2 ILE A 98 -2.247 1.326 -3.648 1.00 60.35 C ATOM 1520 CD1 ILE A 98 -0.204 2.002 -1.584 1.00 61.40 C ATOM 0 H ILE A 98 0.688 3.155 -6.033 1.00 52.13 H new ATOM 0 HA ILE A 98 -0.268 0.426 -5.417 1.00 11.44 H new ATOM 0 HB ILE A 98 -1.055 3.048 -4.078 1.00 73.41 H new ATOM 0 HG12 ILE A 98 0.400 0.577 -3.052 1.00 35.44 H new ATOM 0 HG13 ILE A 98 1.089 2.173 -3.273 1.00 35.44 H new ATOM 0 HG21 ILE A 98 -2.535 1.672 -2.655 1.00 60.35 H new ATOM 0 HG22 ILE A 98 -3.016 1.607 -4.367 1.00 60.35 H new ATOM 0 HG23 ILE A 98 -2.140 0.241 -3.637 1.00 60.35 H new ATOM 0 HD11 ILE A 98 0.614 1.742 -0.912 1.00 61.40 H new ATOM 0 HD12 ILE A 98 -0.400 3.072 -1.520 1.00 61.40 H new ATOM 0 HD13 ILE A 98 -1.099 1.451 -1.296 1.00 61.40 H new ATOM 1532 N PRO A 99 -2.306 0.697 -6.923 1.00 2.33 N ATOM 1533 CA PRO A 99 -3.472 0.842 -7.814 1.00 62.52 C ATOM 1534 C PRO A 99 -4.578 1.729 -7.203 1.00 65.23 C ATOM 1535 O PRO A 99 -4.835 1.687 -5.998 1.00 45.24 O ATOM 1536 CB PRO A 99 -3.959 -0.605 -7.999 1.00 50.35 C ATOM 1537 CG PRO A 99 -2.761 -1.447 -7.711 1.00 61.22 C ATOM 1538 CD PRO A 99 -2.004 -0.719 -6.637 1.00 2.51 C ATOM 0 HA PRO A 99 -3.214 1.337 -8.750 1.00 62.52 H new ATOM 0 HB2 PRO A 99 -4.779 -0.837 -7.319 1.00 50.35 H new ATOM 0 HB3 PRO A 99 -4.327 -0.773 -9.011 1.00 50.35 H new ATOM 0 HG2 PRO A 99 -3.053 -2.443 -7.378 1.00 61.22 H new ATOM 0 HG3 PRO A 99 -2.149 -1.576 -8.604 1.00 61.22 H new ATOM 0 HD2 PRO A 99 -2.337 -1.010 -5.640 1.00 2.51 H new ATOM 0 HD3 PRO A 99 -0.934 -0.922 -6.688 1.00 2.51 H new ATOM 1546 N MET A 100 -5.221 2.532 -8.049 1.00 25.42 N ATOM 1547 CA MET A 100 -6.258 3.474 -7.613 1.00 12.24 C ATOM 1548 C MET A 100 -7.425 2.751 -6.930 1.00 55.21 C ATOM 1549 O MET A 100 -8.231 2.081 -7.582 1.00 64.23 O ATOM 1550 CB MET A 100 -6.767 4.281 -8.816 1.00 10.01 C ATOM 1551 CG MET A 100 -7.882 5.281 -8.505 1.00 1.34 C ATOM 1552 SD MET A 100 -7.318 6.753 -7.616 1.00 55.02 S ATOM 1553 CE MET A 100 -7.288 6.188 -5.915 1.00 75.31 C ATOM 0 H MET A 100 -5.041 2.550 -9.053 1.00 25.42 H new ATOM 0 HA MET A 100 -5.814 4.150 -6.882 1.00 12.24 H new ATOM 0 HB2 MET A 100 -5.927 4.822 -9.252 1.00 10.01 H new ATOM 0 HB3 MET A 100 -7.126 3.585 -9.574 1.00 10.01 H new ATOM 0 HG2 MET A 100 -8.351 5.590 -9.439 1.00 1.34 H new ATOM 0 HG3 MET A 100 -8.649 4.782 -7.913 1.00 1.34 H new ATOM 0 HE1 MET A 100 -7.644 6.984 -5.261 1.00 75.31 H new ATOM 0 HE2 MET A 100 -7.934 5.316 -5.810 1.00 75.31 H new ATOM 0 HE3 MET A 100 -6.268 5.920 -5.639 1.00 75.31 H new ATOM 1563 N GLY A 101 -7.513 2.887 -5.613 1.00 31.51 N ATOM 1564 CA GLY A 101 -8.585 2.229 -4.881 1.00 23.34 C ATOM 1565 C GLY A 101 -8.717 2.699 -3.441 1.00 33.33 C ATOM 1566 O GLY A 101 -7.978 3.583 -3.005 1.00 11.10 O ATOM 0 H GLY A 101 -6.870 3.434 -5.041 1.00 31.51 H new ATOM 0 HA2 GLY A 101 -9.528 2.404 -5.399 1.00 23.34 H new ATOM 0 HA3 GLY A 101 -8.412 1.153 -4.889 1.00 23.34 H new ATOM 1570 N PRO A 102 -9.637 2.093 -2.665 1.00 11.31 N ATOM 1571 CA PRO A 102 -9.889 2.481 -1.265 1.00 54.12 C ATOM 1572 C PRO A 102 -8.620 2.391 -0.408 1.00 50.50 C ATOM 1573 O PRO A 102 -8.401 3.196 0.497 1.00 14.41 O ATOM 1574 CB PRO A 102 -10.949 1.467 -0.792 1.00 14.33 C ATOM 1575 CG PRO A 102 -10.889 0.347 -1.780 1.00 42.21 C ATOM 1576 CD PRO A 102 -10.488 0.972 -3.088 1.00 44.04 C ATOM 0 HA PRO A 102 -10.217 3.517 -1.176 1.00 54.12 H new ATOM 0 HB2 PRO A 102 -10.734 1.114 0.217 1.00 14.33 H new ATOM 0 HB3 PRO A 102 -11.941 1.917 -0.767 1.00 14.33 H new ATOM 0 HG2 PRO A 102 -10.167 -0.409 -1.471 1.00 42.21 H new ATOM 0 HG3 PRO A 102 -11.855 -0.151 -1.865 1.00 42.21 H new ATOM 0 HD2 PRO A 102 -9.947 0.270 -3.723 1.00 44.04 H new ATOM 0 HD3 PRO A 102 -11.354 1.313 -3.656 1.00 44.04 H new ATOM 1584 N TYR A 103 -7.783 1.408 -0.721 1.00 60.42 N ATOM 1585 CA TYR A 103 -6.500 1.223 -0.041 1.00 2.11 C ATOM 1586 C TYR A 103 -5.594 2.443 -0.251 1.00 42.22 C ATOM 1587 O TYR A 103 -5.076 3.023 0.703 1.00 44.21 O ATOM 1588 CB TYR A 103 -5.819 -0.052 -0.553 1.00 24.21 C ATOM 1589 CG TYR A 103 -6.640 -1.309 -0.311 1.00 1.24 C ATOM 1590 CD1 TYR A 103 -7.683 -1.658 -1.164 1.00 61.53 C ATOM 1591 CD2 TYR A 103 -6.380 -2.142 0.773 1.00 32.00 C ATOM 1592 CE1 TYR A 103 -8.439 -2.794 -0.941 1.00 62.10 C ATOM 1593 CE2 TYR A 103 -7.132 -3.277 0.999 1.00 45.44 C ATOM 1594 CZ TYR A 103 -8.160 -3.599 0.141 1.00 41.52 C ATOM 1595 OH TYR A 103 -8.912 -4.734 0.366 1.00 24.21 O ATOM 0 H TYR A 103 -7.970 0.719 -1.449 1.00 60.42 H new ATOM 0 HA TYR A 103 -6.681 1.120 1.029 1.00 2.11 H new ATOM 0 HB2 TYR A 103 -5.629 0.050 -1.621 1.00 24.21 H new ATOM 0 HB3 TYR A 103 -4.850 -0.159 -0.065 1.00 24.21 H new ATOM 0 HD1 TYR A 103 -7.906 -1.031 -2.015 1.00 61.53 H new ATOM 0 HD2 TYR A 103 -5.575 -1.896 1.450 1.00 32.00 H new ATOM 0 HE1 TYR A 103 -9.245 -3.049 -1.613 1.00 62.10 H new ATOM 0 HE2 TYR A 103 -6.915 -3.911 1.846 1.00 45.44 H new ATOM 0 HH TYR A 103 -9.596 -4.817 -0.331 1.00 24.21 H new ATOM 1605 N ALA A 104 -5.426 2.840 -1.509 1.00 43.55 N ATOM 1606 CA ALA A 104 -4.672 4.050 -1.839 1.00 14.33 C ATOM 1607 C ALA A 104 -5.347 5.301 -1.254 1.00 43.14 C ATOM 1608 O ALA A 104 -4.680 6.227 -0.801 1.00 62.40 O ATOM 1609 CB ALA A 104 -4.527 4.184 -3.351 1.00 51.43 C ATOM 0 H ALA A 104 -5.801 2.344 -2.317 1.00 43.55 H new ATOM 0 HA ALA A 104 -3.681 3.964 -1.394 1.00 14.33 H new ATOM 0 HB1 ALA A 104 -3.964 5.088 -3.584 1.00 51.43 H new ATOM 0 HB2 ALA A 104 -3.998 3.316 -3.744 1.00 51.43 H new ATOM 0 HB3 ALA A 104 -5.515 4.244 -3.807 1.00 51.43 H new ATOM 1615 N ASN A 105 -6.678 5.305 -1.251 1.00 5.54 N ATOM 1616 CA ASN A 105 -7.473 6.415 -0.717 1.00 41.43 C ATOM 1617 C ASN A 105 -7.124 6.719 0.758 1.00 72.35 C ATOM 1618 O ASN A 105 -7.328 7.834 1.239 1.00 32.33 O ATOM 1619 CB ASN A 105 -8.954 6.056 -0.866 1.00 20.14 C ATOM 1620 CG ASN A 105 -9.893 7.119 -0.342 1.00 32.05 C ATOM 1621 OD1 ASN A 105 -9.616 8.309 -0.405 1.00 21.32 O ATOM 1622 ND2 ASN A 105 -11.022 6.689 0.176 1.00 13.13 N ATOM 0 H ASN A 105 -7.240 4.538 -1.619 1.00 5.54 H new ATOM 0 HA ASN A 105 -7.246 7.321 -1.279 1.00 41.43 H new ATOM 0 HB2 ASN A 105 -9.172 5.879 -1.919 1.00 20.14 H new ATOM 0 HB3 ASN A 105 -9.147 5.122 -0.339 1.00 20.14 H new ATOM 0 HD21 ASN A 105 -11.702 7.356 0.542 1.00 13.13 H new ATOM 0 HD22 ASN A 105 -11.219 5.689 0.211 1.00 13.13 H new ATOM 1629 N MET A 106 -6.590 5.724 1.466 1.00 1.03 N ATOM 1630 CA MET A 106 -6.195 5.892 2.870 1.00 31.43 C ATOM 1631 C MET A 106 -4.905 6.715 3.008 1.00 2.31 C ATOM 1632 O MET A 106 -4.646 7.306 4.055 1.00 63.31 O ATOM 1633 CB MET A 106 -5.987 4.518 3.521 1.00 4.03 C ATOM 1634 CG MET A 106 -7.221 3.631 3.483 1.00 44.51 C ATOM 1635 SD MET A 106 -8.546 4.226 4.553 1.00 21.32 S ATOM 1636 CE MET A 106 -7.986 3.648 6.154 1.00 34.14 C ATOM 0 H MET A 106 -6.420 4.790 1.092 1.00 1.03 H new ATOM 0 HA MET A 106 -6.998 6.431 3.373 1.00 31.43 H new ATOM 0 HB2 MET A 106 -5.167 4.007 3.016 1.00 4.03 H new ATOM 0 HB3 MET A 106 -5.684 4.659 4.558 1.00 4.03 H new ATOM 0 HG2 MET A 106 -7.588 3.571 2.458 1.00 44.51 H new ATOM 0 HG3 MET A 106 -6.945 2.620 3.783 1.00 44.51 H new ATOM 0 HE1 MET A 106 -8.840 3.295 6.733 1.00 34.14 H new ATOM 0 HE2 MET A 106 -7.277 2.831 6.018 1.00 34.14 H new ATOM 0 HE3 MET A 106 -7.500 4.466 6.686 1.00 34.14 H new ATOM 1646 N VAL A 107 -4.105 6.765 1.946 1.00 40.31 N ATOM 1647 CA VAL A 107 -2.758 7.338 2.037 1.00 3.41 C ATOM 1648 C VAL A 107 -2.504 8.452 1.009 1.00 15.41 C ATOM 1649 O VAL A 107 -1.614 9.282 1.198 1.00 34.20 O ATOM 1650 CB VAL A 107 -1.680 6.234 1.873 1.00 61.22 C ATOM 1651 CG1 VAL A 107 -1.751 5.231 3.023 1.00 33.14 C ATOM 1652 CG2 VAL A 107 -1.820 5.526 0.525 1.00 54.53 C ATOM 0 H VAL A 107 -4.359 6.421 1.020 1.00 40.31 H new ATOM 0 HA VAL A 107 -2.689 7.785 3.029 1.00 3.41 H new ATOM 0 HB VAL A 107 -0.702 6.714 1.900 1.00 61.22 H new ATOM 0 HG11 VAL A 107 -0.986 4.466 2.887 1.00 33.14 H new ATOM 0 HG12 VAL A 107 -1.583 5.748 3.968 1.00 33.14 H new ATOM 0 HG13 VAL A 107 -2.735 4.762 3.036 1.00 33.14 H new ATOM 0 HG21 VAL A 107 -1.052 4.757 0.436 1.00 54.53 H new ATOM 0 HG22 VAL A 107 -2.805 5.065 0.457 1.00 54.53 H new ATOM 0 HG23 VAL A 107 -1.702 6.251 -0.281 1.00 54.53 H new ATOM 1662 N ILE A 108 -3.280 8.483 -0.066 1.00 1.13 N ATOM 1663 CA ILE A 108 -3.073 9.476 -1.125 1.00 65.22 C ATOM 1664 C ILE A 108 -3.993 10.702 -0.950 1.00 62.13 C ATOM 1665 O ILE A 108 -4.783 10.780 -0.007 1.00 14.12 O ATOM 1666 CB ILE A 108 -3.296 8.877 -2.537 1.00 74.10 C ATOM 1667 CG1 ILE A 108 -4.783 8.756 -2.858 1.00 73.15 C ATOM 1668 CG2 ILE A 108 -2.620 7.507 -2.682 1.00 64.33 C ATOM 1669 CD1 ILE A 108 -5.020 8.520 -4.320 1.00 32.03 C ATOM 0 H ILE A 108 -4.054 7.840 -0.232 1.00 1.13 H new ATOM 0 HA ILE A 108 -2.034 9.793 -1.036 1.00 65.22 H new ATOM 0 HB ILE A 108 -2.838 9.564 -3.248 1.00 74.10 H new ATOM 0 HG12 ILE A 108 -5.213 7.936 -2.283 1.00 73.15 H new ATOM 0 HG13 ILE A 108 -5.297 9.666 -2.549 1.00 73.15 H new ATOM 0 HG21 ILE A 108 -2.798 7.118 -3.685 1.00 64.33 H new ATOM 0 HG22 ILE A 108 -1.547 7.611 -2.518 1.00 64.33 H new ATOM 0 HG23 ILE A 108 -3.034 6.817 -1.946 1.00 64.33 H new ATOM 0 HD11 ILE A 108 -6.091 8.440 -4.507 1.00 32.03 H new ATOM 0 HD12 ILE A 108 -4.613 9.353 -4.894 1.00 32.03 H new ATOM 0 HD13 ILE A 108 -4.528 7.596 -4.624 1.00 32.03 H new ATOM 1681 N ASP A 109 -3.882 11.653 -1.876 1.00 73.24 N ATOM 1682 CA ASP A 109 -4.703 12.867 -1.867 1.00 51.45 C ATOM 1683 C ASP A 109 -5.775 12.819 -2.978 1.00 64.11 C ATOM 1684 O ASP A 109 -5.447 12.777 -4.164 1.00 31.34 O ATOM 1685 CB ASP A 109 -3.803 14.095 -2.045 1.00 53.30 C ATOM 1686 CG ASP A 109 -4.599 15.376 -2.222 1.00 3.24 C ATOM 1687 OD1 ASP A 109 -5.270 15.805 -1.263 1.00 72.42 O ATOM 1688 OD2 ASP A 109 -4.573 15.951 -3.329 1.00 21.11 O ATOM 0 H ASP A 109 -3.223 11.606 -2.653 1.00 73.24 H new ATOM 0 HA ASP A 109 -5.219 12.933 -0.909 1.00 51.45 H new ATOM 0 HB2 ASP A 109 -3.151 14.193 -1.177 1.00 53.30 H new ATOM 0 HB3 ASP A 109 -3.159 13.948 -2.912 1.00 53.30 H new ATOM 1862 N GLY A 122 3.067 11.386 -7.049 1.00 42.54 N ATOM 1863 CA GLY A 122 2.600 10.549 -5.953 1.00 4.32 C ATOM 1864 C GLY A 122 2.589 11.258 -4.603 1.00 54.25 C ATOM 1865 O GLY A 122 3.202 12.314 -4.433 1.00 44.10 O ATOM 0 HA2 GLY A 122 1.592 10.199 -6.178 1.00 4.32 H new ATOM 0 HA3 GLY A 122 3.236 9.666 -5.885 1.00 4.32 H new ATOM 1869 N VAL A 123 1.868 10.686 -3.644 1.00 45.21 N ATOM 1870 CA VAL A 123 1.840 11.207 -2.271 1.00 60.20 C ATOM 1871 C VAL A 123 2.873 10.494 -1.383 1.00 42.42 C ATOM 1872 O VAL A 123 2.800 9.285 -1.189 1.00 53.32 O ATOM 1873 CB VAL A 123 0.440 11.031 -1.644 1.00 54.22 C ATOM 1874 CG1 VAL A 123 0.396 11.601 -0.225 1.00 41.32 C ATOM 1875 CG2 VAL A 123 -0.633 11.663 -2.533 1.00 71.31 C ATOM 0 H VAL A 123 1.291 9.857 -3.788 1.00 45.21 H new ATOM 0 HA VAL A 123 2.085 12.268 -2.327 1.00 60.20 H new ATOM 0 HB VAL A 123 0.230 9.964 -1.573 1.00 54.22 H new ATOM 0 HG11 VAL A 123 -0.602 11.463 0.192 1.00 41.32 H new ATOM 0 HG12 VAL A 123 1.124 11.082 0.398 1.00 41.32 H new ATOM 0 HG13 VAL A 123 0.634 12.664 -0.252 1.00 41.32 H new ATOM 0 HG21 VAL A 123 -1.612 11.528 -2.073 1.00 71.31 H new ATOM 0 HG22 VAL A 123 -0.430 12.728 -2.648 1.00 71.31 H new ATOM 0 HG23 VAL A 123 -0.623 11.184 -3.512 1.00 71.31 H new ATOM 1885 N LYS A 124 3.828 11.244 -0.837 1.00 2.22 N ATOM 1886 CA LYS A 124 4.893 10.661 -0.024 1.00 0.00 C ATOM 1887 C LYS A 124 4.365 10.071 1.297 1.00 72.12 C ATOM 1888 O LYS A 124 3.355 10.518 1.841 1.00 53.40 O ATOM 1889 CB LYS A 124 5.979 11.710 0.275 1.00 33.34 C ATOM 1890 CG LYS A 124 7.389 11.147 0.159 1.00 30.44 C ATOM 1891 CD LYS A 124 8.414 11.934 0.976 1.00 63.40 C ATOM 1892 CE LYS A 124 8.235 11.722 2.478 1.00 52.14 C ATOM 1893 NZ LYS A 124 9.299 12.399 3.268 1.00 35.03 N ATOM 0 H LYS A 124 3.886 12.257 -0.943 1.00 2.22 H new ATOM 0 HA LYS A 124 5.322 9.844 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.869 12.547 -0.414 1.00 33.34 H new ATOM 0 HB3 LYS A 124 5.831 12.103 1.281 1.00 33.34 H new ATOM 0 HG2 LYS A 124 7.388 10.109 0.490 1.00 30.44 H new ATOM 0 HG3 LYS A 124 7.690 11.147 -0.889 1.00 30.44 H new ATOM 0 HD2 LYS A 124 9.420 11.631 0.685 1.00 63.40 H new ATOM 0 HD3 LYS A 124 8.322 12.996 0.746 1.00 63.40 H new ATOM 0 HE2 LYS A 124 7.260 12.101 2.784 1.00 52.14 H new ATOM 0 HE3 LYS A 124 8.245 10.654 2.697 1.00 52.14 H new ATOM 0 HZ1 LYS A 124 9.742 11.714 3.913 1.00 35.03 H new ATOM 0 HZ2 LYS A 124 10.019 12.783 2.623 1.00 35.03 H new ATOM 0 HZ3 LYS A 124 8.881 13.174 3.821 1.00 35.03 H new ATOM 1907 N GLY A 125 5.083 9.076 1.808 1.00 32.34 N ATOM 1908 CA GLY A 125 4.715 8.427 3.057 1.00 60.11 C ATOM 1909 C GLY A 125 5.759 7.414 3.523 1.00 3.32 C ATOM 1910 O GLY A 125 6.960 7.610 3.325 1.00 4.35 O ATOM 0 H GLY A 125 5.926 8.702 1.373 1.00 32.34 H new ATOM 0 HA2 GLY A 125 4.579 9.184 3.829 1.00 60.11 H new ATOM 0 HA3 GLY A 125 3.756 7.924 2.932 1.00 60.11 H new ATOM 1914 N THR A 126 5.299 6.323 4.132 1.00 71.13 N ATOM 1915 CA THR A 126 6.192 5.282 4.673 1.00 51.53 C ATOM 1916 C THR A 126 5.631 3.873 4.435 1.00 14.42 C ATOM 1917 O THR A 126 4.433 3.703 4.202 1.00 42.23 O ATOM 1918 CB THR A 126 6.414 5.458 6.196 1.00 42.22 C ATOM 1919 OG1 THR A 126 5.154 5.441 6.888 1.00 70.13 O ATOM 1920 CG2 THR A 126 7.151 6.756 6.511 1.00 60.42 C ATOM 0 H THR A 126 4.307 6.130 4.267 1.00 71.13 H new ATOM 0 HA THR A 126 7.139 5.394 4.145 1.00 51.53 H new ATOM 0 HB THR A 126 7.030 4.625 6.535 1.00 42.22 H new ATOM 0 HG1 THR A 126 4.489 5.941 6.370 1.00 70.13 H new ATOM 0 HG21 THR A 126 7.288 6.844 7.589 1.00 60.42 H new ATOM 0 HG22 THR A 126 8.124 6.750 6.021 1.00 60.42 H new ATOM 0 HG23 THR A 126 6.568 7.603 6.149 1.00 60.42 H new ATOM 1928 N VAL A 127 6.503 2.866 4.502 1.00 63.14 N ATOM 1929 CA VAL A 127 6.088 1.466 4.355 1.00 23.40 C ATOM 1930 C VAL A 127 6.890 0.543 5.292 1.00 64.01 C ATOM 1931 O VAL A 127 8.076 0.773 5.544 1.00 25.22 O ATOM 1932 CB VAL A 127 6.247 0.984 2.887 1.00 44.02 C ATOM 1933 CG1 VAL A 127 7.712 1.024 2.455 1.00 13.23 C ATOM 1934 CG2 VAL A 127 5.662 -0.417 2.703 1.00 41.11 C ATOM 0 H VAL A 127 7.503 2.992 4.657 1.00 63.14 H new ATOM 0 HA VAL A 127 5.035 1.414 4.630 1.00 23.40 H new ATOM 0 HB VAL A 127 5.688 1.667 2.248 1.00 44.02 H new ATOM 0 HG11 VAL A 127 7.797 0.682 1.424 1.00 13.23 H new ATOM 0 HG12 VAL A 127 8.086 2.045 2.530 1.00 13.23 H new ATOM 0 HG13 VAL A 127 8.300 0.374 3.102 1.00 13.23 H new ATOM 0 HG21 VAL A 127 5.787 -0.730 1.666 1.00 41.11 H new ATOM 0 HG22 VAL A 127 6.181 -1.117 3.358 1.00 41.11 H new ATOM 0 HG23 VAL A 127 4.601 -0.404 2.953 1.00 41.11 H new ATOM 1944 N GLU A 128 6.232 -0.495 5.814 1.00 51.12 N ATOM 1945 CA GLU A 128 6.888 -1.467 6.703 1.00 41.31 C ATOM 1946 C GLU A 128 6.190 -2.844 6.688 1.00 42.44 C ATOM 1947 O GLU A 128 5.062 -2.983 6.215 1.00 11.33 O ATOM 1948 CB GLU A 128 6.911 -0.926 8.141 1.00 73.33 C ATOM 1949 CG GLU A 128 5.526 -0.584 8.682 1.00 14.40 C ATOM 1950 CD GLU A 128 5.543 -0.164 10.144 1.00 40.43 C ATOM 1951 OE1 GLU A 128 5.712 1.039 10.424 1.00 20.40 O ATOM 1952 OE2 GLU A 128 5.377 -1.037 11.022 1.00 34.54 O ATOM 0 H GLU A 128 5.246 -0.687 5.639 1.00 51.12 H new ATOM 0 HA GLU A 128 7.904 -1.606 6.333 1.00 41.31 H new ATOM 0 HB2 GLU A 128 7.375 -1.667 8.793 1.00 73.33 H new ATOM 0 HB3 GLU A 128 7.537 -0.034 8.176 1.00 73.33 H new ATOM 0 HG2 GLU A 128 5.097 0.220 8.084 1.00 14.40 H new ATOM 0 HG3 GLU A 128 4.874 -1.449 8.566 1.00 14.40 H new ATOM 1959 N LYS A 129 6.882 -3.859 7.210 1.00 11.52 N ATOM 1960 CA LYS A 129 6.305 -5.201 7.404 1.00 70.55 C ATOM 1961 C LYS A 129 5.258 -5.197 8.536 1.00 1.52 C ATOM 1962 O LYS A 129 5.463 -4.572 9.576 1.00 12.41 O ATOM 1963 CB LYS A 129 7.429 -6.202 7.745 1.00 74.10 C ATOM 1964 CG LYS A 129 6.940 -7.583 8.199 1.00 24.54 C ATOM 1965 CD LYS A 129 6.367 -8.407 7.048 1.00 40.34 C ATOM 1966 CE LYS A 129 7.457 -8.885 6.094 1.00 21.31 C ATOM 1967 NZ LYS A 129 8.410 -9.820 6.748 1.00 34.24 N ATOM 0 H LYS A 129 7.854 -3.780 7.510 1.00 11.52 H new ATOM 0 HA LYS A 129 5.810 -5.498 6.479 1.00 70.55 H new ATOM 0 HB2 LYS A 129 8.065 -6.327 6.868 1.00 74.10 H new ATOM 0 HB3 LYS A 129 8.051 -5.775 8.532 1.00 74.10 H new ATOM 0 HG2 LYS A 129 7.768 -8.127 8.654 1.00 24.54 H new ATOM 0 HG3 LYS A 129 6.178 -7.460 8.969 1.00 24.54 H new ATOM 0 HD2 LYS A 129 5.832 -9.268 7.449 1.00 40.34 H new ATOM 0 HD3 LYS A 129 5.641 -7.808 6.499 1.00 40.34 H new ATOM 0 HE2 LYS A 129 6.997 -9.379 5.238 1.00 21.31 H new ATOM 0 HE3 LYS A 129 8.003 -8.024 5.709 1.00 21.31 H new ATOM 0 HZ1 LYS A 129 9.070 -10.196 6.038 1.00 34.24 H new ATOM 0 HZ2 LYS A 129 8.944 -9.314 7.483 1.00 34.24 H new ATOM 0 HZ3 LYS A 129 7.884 -10.605 7.181 1.00 34.24 H new ATOM 1981 N THR A 130 4.140 -5.900 8.343 1.00 35.35 N ATOM 1982 CA THR A 130 3.129 -6.027 9.406 1.00 30.55 C ATOM 1983 C THR A 130 2.453 -7.403 9.409 1.00 60.52 C ATOM 1984 O THR A 130 2.319 -8.055 8.373 1.00 43.14 O ATOM 1985 CB THR A 130 2.038 -4.929 9.319 1.00 21.41 C ATOM 1986 OG1 THR A 130 1.032 -5.158 10.317 1.00 43.54 O ATOM 1987 CG2 THR A 130 1.386 -4.888 7.941 1.00 55.21 C ATOM 0 H THR A 130 3.910 -6.385 7.476 1.00 35.35 H new ATOM 0 HA THR A 130 3.679 -5.903 10.339 1.00 30.55 H new ATOM 0 HB THR A 130 2.523 -3.968 9.493 1.00 21.41 H new ATOM 0 HG1 THR A 130 0.753 -4.301 10.703 1.00 43.54 H new ATOM 0 HG21 THR A 130 0.627 -4.106 7.921 1.00 55.21 H new ATOM 0 HG22 THR A 130 2.144 -4.678 7.186 1.00 55.21 H new ATOM 0 HG23 THR A 130 0.920 -5.851 7.730 1.00 55.21 H new ATOM 1995 N ASP A 131 2.040 -7.839 10.598 1.00 51.11 N ATOM 1996 CA ASP A 131 1.316 -9.103 10.769 1.00 64.44 C ATOM 1997 C ASP A 131 -0.202 -8.888 10.658 1.00 22.33 C ATOM 1998 O ASP A 131 -0.984 -9.841 10.686 1.00 62.30 O ATOM 1999 CB ASP A 131 1.656 -9.710 12.134 1.00 32.02 C ATOM 2000 CG ASP A 131 3.149 -9.880 12.330 1.00 41.12 C ATOM 2001 OD1 ASP A 131 3.817 -8.895 12.711 1.00 32.24 O ATOM 2002 OD2 ASP A 131 3.661 -10.996 12.103 1.00 12.04 O ATOM 0 H ASP A 131 2.196 -7.330 11.468 1.00 51.11 H new ATOM 0 HA ASP A 131 1.623 -9.786 9.977 1.00 64.44 H new ATOM 0 HB2 ASP A 131 1.258 -9.071 12.923 1.00 32.02 H new ATOM 0 HB3 ASP A 131 1.166 -10.679 12.231 1.00 32.02 H new ATOM 2007 N GLU A 132 -0.608 -7.624 10.548 1.00 50.22 N ATOM 2008 CA GLU A 132 -2.024 -7.256 10.414 1.00 74.24 C ATOM 2009 C GLU A 132 -2.630 -7.805 9.114 1.00 41.35 C ATOM 2010 O GLU A 132 -1.910 -8.237 8.211 1.00 74.43 O ATOM 2011 CB GLU A 132 -2.163 -5.729 10.463 1.00 44.32 C ATOM 2012 CG GLU A 132 -1.804 -5.132 11.819 1.00 24.11 C ATOM 2013 CD GLU A 132 -1.530 -3.641 11.753 1.00 74.31 C ATOM 2014 OE1 GLU A 132 -2.475 -2.859 11.527 1.00 44.44 O ATOM 2015 OE2 GLU A 132 -0.355 -3.239 11.898 1.00 34.14 O ATOM 0 H GLU A 132 0.029 -6.827 10.549 1.00 50.22 H new ATOM 0 HA GLU A 132 -2.573 -7.701 11.244 1.00 74.24 H new ATOM 0 HB2 GLU A 132 -1.522 -5.288 9.699 1.00 44.32 H new ATOM 0 HB3 GLU A 132 -3.189 -5.457 10.214 1.00 44.32 H new ATOM 0 HG2 GLU A 132 -2.619 -5.316 12.519 1.00 24.11 H new ATOM 0 HG3 GLU A 132 -0.924 -5.641 12.213 1.00 24.11 H new ATOM 2022 N LYS A 133 -3.955 -7.795 9.025 1.00 51.23 N ATOM 2023 CA LYS A 133 -4.639 -8.333 7.848 1.00 31.31 C ATOM 2024 C LYS A 133 -4.897 -7.236 6.811 1.00 53.52 C ATOM 2025 O LYS A 133 -4.971 -6.052 7.144 1.00 35.34 O ATOM 2026 CB LYS A 133 -5.972 -9.004 8.249 1.00 2.31 C ATOM 2027 CG LYS A 133 -7.199 -8.093 8.145 1.00 53.45 C ATOM 2028 CD LYS A 133 -8.491 -8.819 8.519 1.00 1.52 C ATOM 2029 CE LYS A 133 -9.725 -8.102 7.972 1.00 4.44 C ATOM 2030 NZ LYS A 133 -9.789 -8.173 6.484 1.00 5.03 N ATOM 0 H LYS A 133 -4.575 -7.425 9.745 1.00 51.23 H new ATOM 0 HA LYS A 133 -3.987 -9.084 7.401 1.00 31.31 H new ATOM 0 HB2 LYS A 133 -6.129 -9.877 7.616 1.00 2.31 H new ATOM 0 HB3 LYS A 133 -5.889 -9.364 9.274 1.00 2.31 H new ATOM 0 HG2 LYS A 133 -7.066 -7.231 8.799 1.00 53.45 H new ATOM 0 HG3 LYS A 133 -7.280 -7.711 7.127 1.00 53.45 H new ATOM 0 HD2 LYS A 133 -8.461 -9.837 8.131 1.00 1.52 H new ATOM 0 HD3 LYS A 133 -8.565 -8.893 9.604 1.00 1.52 H new ATOM 0 HE2 LYS A 133 -10.624 -8.549 8.397 1.00 4.44 H new ATOM 0 HE3 LYS A 133 -9.709 -7.058 8.286 1.00 4.44 H new ATOM 0 HZ1 LYS A 133 -10.733 -7.877 6.163 1.00 5.03 H new ATOM 0 HZ2 LYS A 133 -9.070 -7.542 6.075 1.00 5.03 H new ATOM 0 HZ3 LYS A 133 -9.609 -9.150 6.175 1.00 5.03 H new ATOM 2044 N VAL A 134 -5.030 -7.638 5.551 1.00 3.22 N ATOM 2045 CA VAL A 134 -5.409 -6.712 4.482 1.00 53.14 C ATOM 2046 C VAL A 134 -6.773 -6.057 4.777 1.00 32.22 C ATOM 2047 O VAL A 134 -7.760 -6.745 5.072 1.00 63.20 O ATOM 2048 CB VAL A 134 -5.458 -7.445 3.118 1.00 23.50 C ATOM 2049 CG1 VAL A 134 -5.935 -6.514 2.002 1.00 61.23 C ATOM 2050 CG2 VAL A 134 -4.086 -8.033 2.789 1.00 73.35 C ATOM 0 H VAL A 134 -4.882 -8.599 5.242 1.00 3.22 H new ATOM 0 HA VAL A 134 -4.652 -5.929 4.435 1.00 53.14 H new ATOM 0 HB VAL A 134 -6.179 -8.259 3.193 1.00 23.50 H new ATOM 0 HG11 VAL A 134 -5.958 -7.059 1.058 1.00 61.23 H new ATOM 0 HG12 VAL A 134 -6.935 -6.149 2.235 1.00 61.23 H new ATOM 0 HG13 VAL A 134 -5.252 -5.669 1.916 1.00 61.23 H new ATOM 0 HG21 VAL A 134 -4.131 -8.546 1.828 1.00 73.35 H new ATOM 0 HG22 VAL A 134 -3.349 -7.231 2.738 1.00 73.35 H new ATOM 0 HG23 VAL A 134 -3.798 -8.741 3.566 1.00 73.35 H new ATOM 2060 N LEU A 135 -6.820 -4.726 4.721 1.00 33.25 N ATOM 2061 CA LEU A 135 -8.053 -3.989 5.019 1.00 51.43 C ATOM 2062 C LEU A 135 -9.091 -4.174 3.903 1.00 71.20 C ATOM 2063 O LEU A 135 -9.175 -3.364 2.984 1.00 14.31 O ATOM 2064 CB LEU A 135 -7.767 -2.490 5.243 1.00 45.21 C ATOM 2065 CG LEU A 135 -8.193 -1.939 6.617 1.00 24.42 C ATOM 2066 CD1 LEU A 135 -8.056 -0.423 6.664 1.00 53.00 C ATOM 2067 CD2 LEU A 135 -9.622 -2.352 6.956 1.00 24.22 C ATOM 0 H LEU A 135 -6.025 -4.137 4.474 1.00 33.25 H new ATOM 0 HA LEU A 135 -8.464 -4.399 5.941 1.00 51.43 H new ATOM 0 HB2 LEU A 135 -6.698 -2.317 5.116 1.00 45.21 H new ATOM 0 HB3 LEU A 135 -8.277 -1.919 4.467 1.00 45.21 H new ATOM 0 HG LEU A 135 -7.526 -2.368 7.364 1.00 24.42 H new ATOM 0 HD11 LEU A 135 -8.363 -0.060 7.645 1.00 53.00 H new ATOM 0 HD12 LEU A 135 -7.017 -0.146 6.483 1.00 53.00 H new ATOM 0 HD13 LEU A 135 -8.689 0.023 5.897 1.00 53.00 H new ATOM 0 HD21 LEU A 135 -9.896 -1.949 7.931 1.00 24.22 H new ATOM 0 HD22 LEU A 135 -10.303 -1.963 6.199 1.00 24.22 H new ATOM 0 HD23 LEU A 135 -9.690 -3.440 6.981 1.00 24.22 H new ATOM 2079 N SER A 136 -9.878 -5.244 4.015 1.00 10.23 N ATOM 2080 CA SER A 136 -10.856 -5.638 2.987 1.00 5.14 C ATOM 2081 C SER A 136 -11.657 -4.436 2.468 1.00 34.21 C ATOM 2082 O SER A 136 -12.039 -3.563 3.240 1.00 61.22 O ATOM 2083 CB SER A 136 -11.810 -6.696 3.563 1.00 23.12 C ATOM 2084 OG SER A 136 -11.091 -7.761 4.177 1.00 14.01 O ATOM 0 H SER A 136 -9.859 -5.868 4.822 1.00 10.23 H new ATOM 0 HA SER A 136 -10.306 -6.054 2.143 1.00 5.14 H new ATOM 0 HB2 SER A 136 -12.472 -6.232 4.294 1.00 23.12 H new ATOM 0 HB3 SER A 136 -12.441 -7.092 2.767 1.00 23.12 H new ATOM 0 HG SER A 136 -11.723 -8.418 4.536 1.00 14.01 H new ATOM 2090 N VAL A 137 -11.935 -4.423 1.162 1.00 34.44 N ATOM 2091 CA VAL A 137 -12.550 -3.264 0.489 1.00 32.02 C ATOM 2092 C VAL A 137 -13.735 -2.673 1.277 1.00 22.54 C ATOM 2093 O VAL A 137 -13.786 -1.467 1.519 1.00 5.04 O ATOM 2094 CB VAL A 137 -13.032 -3.638 -0.939 1.00 11.25 C ATOM 2095 CG1 VAL A 137 -13.618 -2.424 -1.660 1.00 40.03 C ATOM 2096 CG2 VAL A 137 -11.889 -4.250 -1.751 1.00 11.42 C ATOM 0 H VAL A 137 -11.744 -5.208 0.540 1.00 34.44 H new ATOM 0 HA VAL A 137 -11.769 -2.506 0.432 1.00 32.02 H new ATOM 0 HB VAL A 137 -13.822 -4.382 -0.842 1.00 11.25 H new ATOM 0 HG11 VAL A 137 -13.947 -2.717 -2.657 1.00 40.03 H new ATOM 0 HG12 VAL A 137 -14.468 -2.041 -1.095 1.00 40.03 H new ATOM 0 HG13 VAL A 137 -12.857 -1.648 -1.742 1.00 40.03 H new ATOM 0 HG21 VAL A 137 -12.247 -4.505 -2.748 1.00 11.42 H new ATOM 0 HG22 VAL A 137 -11.074 -3.531 -1.831 1.00 11.42 H new ATOM 0 HG23 VAL A 137 -11.530 -5.151 -1.253 1.00 11.42 H new ATOM 2106 N LYS A 138 -14.672 -3.523 1.688 1.00 22.24 N ATOM 2107 CA LYS A 138 -15.845 -3.063 2.443 1.00 24.31 C ATOM 2108 C LYS A 138 -15.460 -2.620 3.865 1.00 61.55 C ATOM 2109 O LYS A 138 -15.918 -1.579 4.345 1.00 2.40 O ATOM 2110 CB LYS A 138 -16.910 -4.166 2.504 1.00 32.24 C ATOM 2111 CG LYS A 138 -18.183 -3.752 3.245 1.00 13.25 C ATOM 2112 CD LYS A 138 -19.196 -4.890 3.328 1.00 12.41 C ATOM 2113 CE LYS A 138 -19.695 -5.316 1.952 1.00 75.53 C ATOM 2114 NZ LYS A 138 -20.638 -6.462 2.036 1.00 0.24 N ATOM 0 H LYS A 138 -14.647 -4.528 1.515 1.00 22.24 H new ATOM 0 HA LYS A 138 -16.257 -2.199 1.921 1.00 24.31 H new ATOM 0 HB2 LYS A 138 -17.172 -4.463 1.488 1.00 32.24 H new ATOM 0 HB3 LYS A 138 -16.485 -5.043 2.993 1.00 32.24 H new ATOM 0 HG2 LYS A 138 -17.925 -3.423 4.252 1.00 13.25 H new ATOM 0 HG3 LYS A 138 -18.636 -2.900 2.738 1.00 13.25 H new ATOM 0 HD2 LYS A 138 -18.740 -5.744 3.828 1.00 12.41 H new ATOM 0 HD3 LYS A 138 -20.043 -4.577 3.939 1.00 12.41 H new ATOM 0 HE2 LYS A 138 -20.189 -4.474 1.468 1.00 75.53 H new ATOM 0 HE3 LYS A 138 -18.846 -5.590 1.326 1.00 75.53 H new ATOM 0 HZ1 LYS A 138 -20.955 -6.722 1.080 1.00 0.24 H new ATOM 0 HZ2 LYS A 138 -20.159 -7.274 2.475 1.00 0.24 H new ATOM 0 HZ3 LYS A 138 -21.461 -6.193 2.612 1.00 0.24 H new ATOM 2128 N GLU A 139 -14.609 -3.405 4.529 1.00 64.41 N ATOM 2129 CA GLU A 139 -14.115 -3.061 5.869 1.00 0.14 C ATOM 2130 C GLU A 139 -13.471 -1.667 5.860 1.00 45.34 C ATOM 2131 O GLU A 139 -13.670 -0.855 6.763 1.00 71.22 O ATOM 2132 CB GLU A 139 -13.084 -4.107 6.326 1.00 41.13 C ATOM 2133 CG GLU A 139 -12.499 -3.859 7.716 1.00 54.23 C ATOM 2134 CD GLU A 139 -13.500 -4.091 8.833 1.00 1.31 C ATOM 2135 OE1 GLU A 139 -14.248 -3.156 9.182 1.00 62.40 O ATOM 2136 OE2 GLU A 139 -13.550 -5.219 9.364 1.00 72.51 O ATOM 0 H GLU A 139 -14.246 -4.285 4.162 1.00 64.41 H new ATOM 0 HA GLU A 139 -14.956 -3.054 6.562 1.00 0.14 H new ATOM 0 HB2 GLU A 139 -13.554 -5.090 6.314 1.00 41.13 H new ATOM 0 HB3 GLU A 139 -12.269 -4.135 5.603 1.00 41.13 H new ATOM 0 HG2 GLU A 139 -11.640 -4.513 7.864 1.00 54.23 H new ATOM 0 HG3 GLU A 139 -12.132 -2.834 7.772 1.00 54.23 H new ATOM 2143 N LEU A 140 -12.712 -1.407 4.805 1.00 4.41 N ATOM 2144 CA LEU A 140 -12.054 -0.127 4.588 1.00 73.52 C ATOM 2145 C LEU A 140 -13.079 1.018 4.470 1.00 40.55 C ATOM 2146 O LEU A 140 -12.852 2.124 4.969 1.00 30.32 O ATOM 2147 CB LEU A 140 -11.199 -0.238 3.321 1.00 10.23 C ATOM 2148 CG LEU A 140 -9.965 0.665 3.282 1.00 73.10 C ATOM 2149 CD1 LEU A 140 -8.929 0.100 2.323 1.00 61.02 C ATOM 2150 CD2 LEU A 140 -10.334 2.097 2.896 1.00 24.43 C ATOM 0 H LEU A 140 -12.534 -2.088 4.067 1.00 4.41 H new ATOM 0 HA LEU A 140 -11.420 0.110 5.443 1.00 73.52 H new ATOM 0 HB2 LEU A 140 -10.875 -1.273 3.211 1.00 10.23 H new ATOM 0 HB3 LEU A 140 -11.825 -0.007 2.459 1.00 10.23 H new ATOM 0 HG LEU A 140 -9.537 0.694 4.284 1.00 73.10 H new ATOM 0 HD11 LEU A 140 -8.056 0.752 2.305 1.00 61.02 H new ATOM 0 HD12 LEU A 140 -8.632 -0.895 2.654 1.00 61.02 H new ATOM 0 HD13 LEU A 140 -9.356 0.037 1.322 1.00 61.02 H new ATOM 0 HD21 LEU A 140 -9.434 2.712 2.878 1.00 24.43 H new ATOM 0 HD22 LEU A 140 -10.796 2.100 1.909 1.00 24.43 H new ATOM 0 HD23 LEU A 140 -11.035 2.501 3.626 1.00 24.43 H new ATOM 2162 N LEU A 141 -14.216 0.739 3.823 1.00 5.42 N ATOM 2163 CA LEU A 141 -15.290 1.734 3.685 1.00 12.52 C ATOM 2164 C LEU A 141 -15.785 2.186 5.066 1.00 54.42 C ATOM 2165 O LEU A 141 -15.986 3.375 5.316 1.00 53.32 O ATOM 2166 CB LEU A 141 -16.474 1.162 2.886 1.00 23.03 C ATOM 2167 CG LEU A 141 -16.131 0.550 1.517 1.00 42.44 C ATOM 2168 CD1 LEU A 141 -17.398 0.083 0.803 1.00 75.24 C ATOM 2169 CD2 LEU A 141 -15.355 1.540 0.657 1.00 32.32 C ATOM 0 H LEU A 141 -14.418 -0.161 3.388 1.00 5.42 H new ATOM 0 HA LEU A 141 -14.880 2.589 3.147 1.00 12.52 H new ATOM 0 HB2 LEU A 141 -16.960 0.397 3.492 1.00 23.03 H new ATOM 0 HB3 LEU A 141 -17.202 1.958 2.733 1.00 23.03 H new ATOM 0 HG LEU A 141 -15.495 -0.319 1.683 1.00 42.44 H new ATOM 0 HD11 LEU A 141 -17.134 -0.347 -0.163 1.00 75.24 H new ATOM 0 HD12 LEU A 141 -17.901 -0.670 1.410 1.00 75.24 H new ATOM 0 HD13 LEU A 141 -18.065 0.932 0.652 1.00 75.24 H new ATOM 0 HD21 LEU A 141 -15.125 1.083 -0.306 1.00 32.32 H new ATOM 0 HD22 LEU A 141 -15.957 2.435 0.499 1.00 32.32 H new ATOM 0 HD23 LEU A 141 -14.427 1.811 1.161 1.00 32.32 H new