USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 107 HIS :FLIP no HE2:sc= 0.265 F(o=-2.4,f=0.61) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0.342 USER MOD Set 2.1: A 35 THR OG1 : rot 119:sc= -1.49 USER MOD Set 2.2: A 79 GLN : amide:sc= -0.2 X(o=-1.7,f=-1.6) USER MOD Set 3.1: A 69 ASN :FLIP amide:sc= 0.277 F(o=-0.22,f=1.2) USER MOD Set 3.2: A 75 SER OG : rot -126:sc= 0.918 USER MOD Set 4.1: A 53 THR OG1 : rot 73:sc= 0.428 USER MOD Set 4.2: A 91 TYR OH : rot -83:sc= 1.14 USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.784 USER MOD Single : A 37 CYS SG : rot 18:sc= 0.367 USER MOD Single : A 38 TYR OH : rot 172:sc= -0.248 USER MOD Single : A 41 THR OG1 : rot -68:sc= 0.977 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.0072 (180deg=-0.144) USER MOD Single : A 61 SER OG : rot -45:sc= 0.563 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 174:sc= -2.68! USER MOD Single : A 68 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.22) USER MOD Single : A 73 SER OG : rot 80:sc= 0.273 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -1.76 (180deg=-1.88) USER MOD Single : A 84 GLN : amide:sc= -0.936 K(o=-0.94,f=-1.9) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS :FLIP no HE2:sc= 0.257 F(o=-0.89,f=0.26) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0309 (180deg=-0.232) USER MOD Single : A 96 SER OG : rot -76:sc= 0.00096 USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.0477 (180deg=-0.369) USER MOD Single : A 99 SER OG : rot 180:sc= -0.305 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 167:sc= -0.0212 (180deg=-0.175) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0296 USER MOD ----------------------------------------------------------------- ATOM 450 N VAL A 33 27.190 -93.643 -7.965 1.00 64.33 N ATOM 451 CA VAL A 33 26.229 -93.230 -8.977 1.00 3.41 C ATOM 452 C VAL A 33 24.828 -93.254 -8.381 1.00 52.31 C ATOM 453 O VAL A 33 24.215 -94.315 -8.237 1.00 55.05 O ATOM 454 CB VAL A 33 26.256 -94.133 -10.231 1.00 32.24 C ATOM 455 CG1 VAL A 33 25.341 -93.578 -11.325 1.00 21.34 C ATOM 456 CG2 VAL A 33 27.684 -94.309 -10.746 1.00 54.35 C ATOM 0 HA VAL A 33 26.505 -92.223 -9.291 1.00 3.41 H new ATOM 0 HB VAL A 33 25.879 -95.116 -9.947 1.00 32.24 H new ATOM 0 HG11 VAL A 33 25.378 -94.232 -12.197 1.00 21.34 H new ATOM 0 HG12 VAL A 33 24.318 -93.527 -10.953 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.675 -92.579 -11.606 1.00 21.34 H new ATOM 0 HG21 VAL A 33 27.676 -94.948 -11.629 1.00 54.35 H new ATOM 0 HG22 VAL A 33 28.099 -93.336 -11.007 1.00 54.35 H new ATOM 0 HG23 VAL A 33 28.296 -94.769 -9.970 1.00 54.35 H new ATOM 466 N THR A 34 24.354 -92.082 -8.011 1.00 32.15 N ATOM 467 CA THR A 34 23.049 -91.926 -7.393 1.00 71.11 C ATOM 468 C THR A 34 21.988 -91.648 -8.458 1.00 2.24 C ATOM 469 O THR A 34 22.298 -91.138 -9.535 1.00 60.35 O ATOM 470 CB THR A 34 23.080 -90.766 -6.368 1.00 3.00 C ATOM 471 OG1 THR A 34 24.146 -90.982 -5.427 1.00 50.55 O ATOM 472 CG2 THR A 34 21.755 -90.644 -5.618 1.00 1.10 C ATOM 0 H THR A 34 24.863 -91.206 -8.130 1.00 32.15 H new ATOM 0 HA THR A 34 22.797 -92.852 -6.876 1.00 71.11 H new ATOM 0 HB THR A 34 23.246 -89.838 -6.915 1.00 3.00 H new ATOM 0 HG1 THR A 34 23.776 -91.043 -4.522 1.00 50.55 H new ATOM 0 HG21 THR A 34 21.814 -89.820 -4.907 1.00 1.10 H new ATOM 0 HG22 THR A 34 20.951 -90.454 -6.329 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.554 -91.571 -5.082 1.00 1.10 H new ATOM 480 N THR A 35 20.750 -92.025 -8.171 1.00 71.32 N ATOM 481 CA THR A 35 19.615 -91.695 -9.024 1.00 44.34 C ATOM 482 C THR A 35 18.401 -91.400 -8.156 1.00 64.43 C ATOM 483 O THR A 35 18.099 -92.153 -7.229 1.00 74.11 O ATOM 484 CB THR A 35 19.280 -92.840 -10.008 1.00 51.43 C ATOM 485 OG1 THR A 35 20.406 -93.086 -10.868 1.00 13.30 O ATOM 486 CG2 THR A 35 18.045 -92.503 -10.854 1.00 62.32 C ATOM 0 H THR A 35 20.504 -92.567 -7.343 1.00 71.32 H new ATOM 0 HA THR A 35 19.883 -90.818 -9.613 1.00 44.34 H new ATOM 0 HB THR A 35 19.059 -93.735 -9.426 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.721 -94.005 -10.740 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.835 -93.327 -11.536 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.188 -92.346 -10.200 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.234 -91.596 -11.428 1.00 62.32 H new ATOM 494 N LEU A 36 17.735 -90.291 -8.442 1.00 13.40 N ATOM 495 CA LEU A 36 16.542 -89.884 -7.713 1.00 32.23 C ATOM 496 C LEU A 36 15.534 -89.281 -8.678 1.00 30.20 C ATOM 497 O LEU A 36 15.907 -88.564 -9.613 1.00 35.32 O ATOM 498 CB LEU A 36 16.892 -88.866 -6.615 1.00 70.33 C ATOM 499 CG LEU A 36 17.747 -89.400 -5.450 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.129 -88.270 -4.493 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.007 -90.512 -4.701 1.00 4.14 C ATOM 0 H LEU A 36 18.006 -89.648 -9.186 1.00 13.40 H new ATOM 0 HA LEU A 36 16.109 -90.764 -7.237 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.421 -88.031 -7.075 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.963 -88.468 -6.206 1.00 70.33 H new ATOM 0 HG LEU A 36 18.663 -89.818 -5.867 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.732 -88.671 -3.679 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.702 -87.515 -5.032 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.225 -87.817 -4.086 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.628 -90.875 -3.882 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.072 -90.121 -4.301 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.794 -91.333 -5.386 1.00 4.14 H new ATOM 513 N CYS A 37 14.265 -89.585 -8.464 1.00 71.23 N ATOM 514 CA CYS A 37 13.197 -89.019 -9.275 1.00 40.31 C ATOM 515 C CYS A 37 12.767 -87.682 -8.679 1.00 32.44 C ATOM 516 O CYS A 37 12.576 -87.572 -7.470 1.00 34.41 O ATOM 517 CB CYS A 37 12.006 -89.982 -9.343 1.00 1.21 C ATOM 518 SG CYS A 37 10.646 -89.416 -10.396 1.00 21.43 S ATOM 0 H CYS A 37 13.947 -90.222 -7.734 1.00 71.23 H new ATOM 0 HA CYS A 37 13.562 -88.861 -10.290 1.00 40.31 H new ATOM 0 HB2 CYS A 37 12.355 -90.947 -9.709 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.626 -90.142 -8.334 1.00 1.21 H new ATOM 0 HG CYS A 37 11.076 -88.489 -11.199 1.00 21.43 H new ATOM 524 N TYR A 38 12.627 -86.671 -9.525 1.00 44.52 N ATOM 525 CA TYR A 38 12.276 -85.325 -9.075 1.00 13.14 C ATOM 526 C TYR A 38 10.874 -84.965 -9.546 1.00 33.50 C ATOM 527 O TYR A 38 10.490 -85.274 -10.676 1.00 34.40 O ATOM 528 CB TYR A 38 13.271 -84.289 -9.633 1.00 2.52 C ATOM 529 CG TYR A 38 14.675 -84.356 -9.047 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.338 -85.566 -8.897 1.00 5.21 C ATOM 531 CD2 TYR A 38 15.337 -83.197 -8.652 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.614 -85.623 -8.373 1.00 42.41 C ATOM 533 CE2 TYR A 38 16.617 -83.246 -8.132 1.00 41.03 C ATOM 534 CZ TYR A 38 17.250 -84.461 -7.994 1.00 0.42 C ATOM 535 OH TYR A 38 18.527 -84.518 -7.487 1.00 72.24 O ATOM 0 H TYR A 38 12.751 -86.755 -10.534 1.00 44.52 H new ATOM 0 HA TYR A 38 12.315 -85.312 -7.986 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.339 -84.420 -10.713 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.869 -83.291 -9.457 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.847 -86.480 -9.196 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.842 -82.243 -8.754 1.00 74.21 H new ATOM 0 HE1 TYR A 38 17.112 -86.575 -8.261 1.00 42.41 H new ATOM 0 HE2 TYR A 38 17.118 -82.336 -7.836 1.00 41.03 H new ATOM 0 HH TYR A 38 18.881 -83.609 -7.389 1.00 72.24 H new ATOM 545 N ARG A 39 10.115 -84.316 -8.675 1.00 41.31 N ATOM 546 CA ARG A 39 8.797 -83.813 -9.026 1.00 13.40 C ATOM 547 C ARG A 39 8.415 -82.665 -8.096 1.00 14.02 C ATOM 548 O ARG A 39 8.197 -82.867 -6.902 1.00 25.40 O ATOM 549 CB ARG A 39 7.743 -84.930 -8.965 1.00 74.33 C ATOM 550 CG ARG A 39 6.354 -84.471 -9.393 1.00 12.21 C ATOM 551 CD ARG A 39 5.380 -85.633 -9.541 1.00 54.31 C ATOM 552 NE ARG A 39 4.092 -85.183 -10.076 1.00 25.32 N ATOM 553 CZ ARG A 39 3.377 -85.848 -10.987 1.00 14.22 C ATOM 554 NH1 ARG A 39 3.756 -87.056 -11.389 1.00 32.13 N ATOM 555 NH2 ARG A 39 2.269 -85.308 -11.479 1.00 64.21 N ATOM 0 H ARG A 39 10.393 -84.125 -7.713 1.00 41.31 H new ATOM 0 HA ARG A 39 8.831 -83.444 -10.051 1.00 13.40 H new ATOM 0 HB2 ARG A 39 8.059 -85.754 -9.605 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.693 -85.318 -7.948 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.965 -83.765 -8.659 1.00 12.21 H new ATOM 0 HG3 ARG A 39 6.426 -83.938 -10.341 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.808 -86.387 -10.202 1.00 54.31 H new ATOM 0 HD3 ARG A 39 5.228 -86.108 -8.572 1.00 54.31 H new ATOM 0 HE ARG A 39 3.716 -84.301 -9.729 1.00 25.32 H new ATOM 0 HH11 ARG A 39 4.598 -87.482 -11.001 1.00 32.13 H new ATOM 0 HH12 ARG A 39 3.205 -87.558 -12.085 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.966 -84.387 -11.161 1.00 64.21 H new ATOM 0 HH22 ARG A 39 1.721 -85.814 -12.175 1.00 64.21 H new ATOM 569 N VAL A 40 8.358 -81.462 -8.643 1.00 72.34 N ATOM 570 CA VAL A 40 8.002 -80.279 -7.861 1.00 72.44 C ATOM 571 C VAL A 40 6.610 -79.799 -8.237 1.00 70.43 C ATOM 572 O VAL A 40 6.168 -79.973 -9.375 1.00 61.43 O ATOM 573 CB VAL A 40 9.009 -79.115 -8.064 1.00 33.24 C ATOM 574 CG1 VAL A 40 8.985 -78.615 -9.504 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.720 -77.968 -7.094 1.00 22.25 C ATOM 0 H VAL A 40 8.553 -81.274 -9.626 1.00 72.34 H new ATOM 0 HA VAL A 40 8.029 -80.574 -6.812 1.00 72.44 H new ATOM 0 HB VAL A 40 10.007 -79.499 -7.854 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.700 -77.800 -9.618 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.253 -79.430 -10.177 1.00 32.30 H new ATOM 0 HG13 VAL A 40 7.985 -78.257 -9.748 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.439 -77.165 -7.256 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.711 -77.592 -7.265 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.804 -78.329 -6.069 1.00 22.25 H new ATOM 585 N THR A 41 5.924 -79.202 -7.280 1.00 2.24 N ATOM 586 CA THR A 41 4.618 -78.607 -7.534 1.00 62.42 C ATOM 587 C THR A 41 4.701 -77.094 -7.381 1.00 74.20 C ATOM 588 O THR A 41 5.101 -76.595 -6.329 1.00 2.33 O ATOM 589 CB THR A 41 3.535 -79.170 -6.582 1.00 55.34 C ATOM 590 OG1 THR A 41 3.956 -79.027 -5.222 1.00 61.12 O ATOM 591 CG2 THR A 41 3.251 -80.640 -6.873 1.00 64.10 C ATOM 0 H THR A 41 6.247 -79.114 -6.317 1.00 2.24 H new ATOM 0 HA THR A 41 4.330 -78.861 -8.554 1.00 62.42 H new ATOM 0 HB THR A 41 2.619 -78.603 -6.746 1.00 55.34 H new ATOM 0 HG1 THR A 41 4.718 -79.619 -5.052 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.486 -81.005 -6.188 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.899 -80.746 -7.899 1.00 64.10 H new ATOM 0 HG23 THR A 41 4.164 -81.220 -6.740 1.00 64.10 H new ATOM 599 N GLY A 42 4.374 -76.370 -8.445 1.00 41.40 N ATOM 600 CA GLY A 42 4.321 -74.923 -8.367 1.00 24.42 C ATOM 601 C GLY A 42 3.067 -74.463 -7.652 1.00 40.24 C ATOM 602 O GLY A 42 2.076 -75.199 -7.612 1.00 32.35 O ATOM 0 H GLY A 42 4.145 -76.759 -9.360 1.00 41.40 H new ATOM 0 HA2 GLY A 42 5.201 -74.551 -7.841 1.00 24.42 H new ATOM 0 HA3 GLY A 42 4.347 -74.500 -9.371 1.00 24.42 H new ATOM 684 N PHE A 48 8.384 -74.114 -15.330 1.00 44.21 N ATOM 685 CA PHE A 48 9.765 -74.202 -14.858 1.00 43.23 C ATOM 686 C PHE A 48 10.716 -73.538 -15.852 1.00 63.04 C ATOM 687 O PHE A 48 10.527 -73.638 -17.070 1.00 45.54 O ATOM 688 CB PHE A 48 10.135 -75.681 -14.657 1.00 61.12 C ATOM 689 CG PHE A 48 11.143 -75.943 -13.562 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.928 -75.463 -12.277 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.289 -76.686 -13.810 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.835 -75.714 -11.267 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.199 -76.941 -12.800 1.00 23.53 C ATOM 694 CZ PHE A 48 12.971 -76.455 -11.527 1.00 52.33 C ATOM 0 HA PHE A 48 9.857 -73.676 -13.908 1.00 43.23 H new ATOM 0 HB2 PHE A 48 9.226 -76.241 -14.435 1.00 61.12 H new ATOM 0 HB3 PHE A 48 10.529 -76.072 -15.595 1.00 61.12 H new ATOM 0 HD1 PHE A 48 10.040 -74.886 -12.065 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.472 -77.069 -14.803 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.656 -75.331 -10.273 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.087 -77.520 -13.006 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.680 -76.654 -10.737 1.00 52.33 H new ATOM 704 N PHE A 49 11.725 -72.854 -15.324 1.00 15.34 N ATOM 705 CA PHE A 49 12.713 -72.163 -16.149 1.00 4.40 C ATOM 706 C PHE A 49 13.632 -73.146 -16.889 1.00 62.32 C ATOM 707 O PHE A 49 14.724 -73.488 -16.418 1.00 1.00 O ATOM 708 CB PHE A 49 13.529 -71.156 -15.310 1.00 33.40 C ATOM 709 CG PHE A 49 13.973 -71.626 -13.935 1.00 61.25 C ATOM 710 CD1 PHE A 49 14.044 -72.974 -13.606 1.00 2.54 C ATOM 711 CD2 PHE A 49 14.326 -70.695 -12.965 1.00 61.52 C ATOM 712 CE1 PHE A 49 14.452 -73.377 -12.350 1.00 70.11 C ATOM 713 CE2 PHE A 49 14.737 -71.097 -11.707 1.00 52.45 C ATOM 714 CZ PHE A 49 14.798 -72.440 -11.400 1.00 63.23 C ATOM 0 H PHE A 49 11.882 -72.762 -14.320 1.00 15.34 H new ATOM 0 HA PHE A 49 12.166 -71.604 -16.909 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.416 -70.877 -15.879 1.00 33.40 H new ATOM 0 HB3 PHE A 49 12.933 -70.252 -15.186 1.00 33.40 H new ATOM 0 HD1 PHE A 49 13.776 -73.717 -14.343 1.00 2.54 H new ATOM 0 HD2 PHE A 49 14.279 -69.641 -13.197 1.00 61.52 H new ATOM 0 HE1 PHE A 49 14.500 -74.429 -12.111 1.00 70.11 H new ATOM 0 HE2 PHE A 49 15.010 -70.360 -10.966 1.00 52.45 H new ATOM 0 HZ PHE A 49 15.116 -72.757 -10.418 1.00 63.23 H new ATOM 724 N ARG A 50 13.166 -73.580 -18.062 1.00 20.24 N ATOM 725 CA ARG A 50 13.885 -74.541 -18.903 1.00 11.11 C ATOM 726 C ARG A 50 15.354 -74.152 -19.090 1.00 62.02 C ATOM 727 O ARG A 50 16.246 -74.988 -18.943 1.00 13.04 O ATOM 728 CB ARG A 50 13.214 -74.653 -20.283 1.00 4.24 C ATOM 729 CG ARG A 50 13.955 -75.576 -21.254 1.00 63.42 C ATOM 730 CD ARG A 50 13.441 -75.454 -22.688 1.00 31.41 C ATOM 731 NE ARG A 50 12.092 -76.004 -22.869 1.00 52.04 N ATOM 732 CZ ARG A 50 11.651 -76.514 -24.025 1.00 22.45 C ATOM 733 NH1 ARG A 50 12.415 -76.472 -25.108 1.00 12.14 N ATOM 734 NH2 ARG A 50 10.434 -77.033 -24.110 1.00 70.43 N ATOM 0 H ARG A 50 12.277 -73.274 -18.457 1.00 20.24 H new ATOM 0 HA ARG A 50 13.847 -75.503 -18.391 1.00 11.11 H new ATOM 0 HB2 ARG A 50 12.195 -75.019 -20.153 1.00 4.24 H new ATOM 0 HB3 ARG A 50 13.142 -73.659 -20.724 1.00 4.24 H new ATOM 0 HG2 ARG A 50 15.019 -75.341 -21.232 1.00 63.42 H new ATOM 0 HG3 ARG A 50 13.849 -76.608 -20.921 1.00 63.42 H new ATOM 0 HD2 ARG A 50 13.440 -74.403 -22.978 1.00 31.41 H new ATOM 0 HD3 ARG A 50 14.129 -75.969 -23.358 1.00 31.41 H new ATOM 0 HE ARG A 50 11.457 -75.997 -22.071 1.00 52.04 H new ATOM 0 HH11 ARG A 50 13.342 -76.050 -25.062 1.00 12.14 H new ATOM 0 HH12 ARG A 50 12.075 -76.862 -25.987 1.00 12.14 H new ATOM 0 HH21 ARG A 50 9.827 -77.045 -23.291 1.00 70.43 H new ATOM 0 HH22 ARG A 50 10.105 -77.420 -24.995 1.00 70.43 H new ATOM 748 N LYS A 51 15.595 -72.883 -19.412 1.00 31.42 N ATOM 749 CA LYS A 51 16.937 -72.416 -19.758 1.00 51.24 C ATOM 750 C LYS A 51 17.891 -72.535 -18.568 1.00 43.40 C ATOM 751 O LYS A 51 19.067 -72.871 -18.734 1.00 4.25 O ATOM 752 CB LYS A 51 16.885 -70.966 -20.260 1.00 42.54 C ATOM 753 CG LYS A 51 15.983 -70.773 -21.480 1.00 63.21 C ATOM 754 CD LYS A 51 15.948 -69.319 -21.948 1.00 2.41 C ATOM 755 CE LYS A 51 17.327 -68.819 -22.362 1.00 61.10 C ATOM 756 NZ LYS A 51 17.274 -67.430 -22.890 1.00 63.52 N ATOM 0 H LYS A 51 14.878 -72.158 -19.441 1.00 31.42 H new ATOM 0 HA LYS A 51 17.318 -73.052 -20.557 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.533 -70.323 -19.453 1.00 42.54 H new ATOM 0 HB3 LYS A 51 17.895 -70.640 -20.510 1.00 42.54 H new ATOM 0 HG2 LYS A 51 16.335 -71.406 -22.294 1.00 63.21 H new ATOM 0 HG3 LYS A 51 14.972 -71.099 -21.237 1.00 63.21 H new ATOM 0 HD2 LYS A 51 15.261 -69.225 -22.789 1.00 2.41 H new ATOM 0 HD3 LYS A 51 15.560 -68.690 -21.147 1.00 2.41 H new ATOM 0 HE2 LYS A 51 18.000 -68.857 -21.505 1.00 61.10 H new ATOM 0 HE3 LYS A 51 17.741 -69.481 -23.122 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 18.231 -67.125 -23.161 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 16.652 -67.399 -23.723 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 16.903 -66.794 -22.156 1.00 63.52 H new ATOM 770 N TYR A 52 17.381 -72.274 -17.367 1.00 33.33 N ATOM 771 CA TYR A 52 18.200 -72.370 -16.160 1.00 52.21 C ATOM 772 C TYR A 52 18.418 -73.828 -15.770 1.00 31.13 C ATOM 773 O TYR A 52 19.480 -74.181 -15.255 1.00 33.12 O ATOM 774 CB TYR A 52 17.578 -71.577 -15.000 1.00 51.11 C ATOM 775 CG TYR A 52 17.733 -70.071 -15.150 1.00 65.03 C ATOM 776 CD1 TYR A 52 18.994 -69.481 -15.108 1.00 73.20 C ATOM 777 CD2 TYR A 52 16.632 -69.242 -15.336 1.00 31.11 C ATOM 778 CE1 TYR A 52 19.150 -68.113 -15.250 1.00 34.30 C ATOM 779 CE2 TYR A 52 16.781 -67.875 -15.479 1.00 52.05 C ATOM 780 CZ TYR A 52 18.040 -67.315 -15.433 1.00 23.30 C ATOM 781 OH TYR A 52 18.187 -65.950 -15.571 1.00 53.21 O ATOM 0 H TYR A 52 16.413 -71.997 -17.203 1.00 33.33 H new ATOM 0 HA TYR A 52 19.172 -71.927 -16.379 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.518 -71.821 -14.929 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.041 -71.892 -14.065 1.00 51.11 H new ATOM 0 HD1 TYR A 52 19.866 -70.102 -14.962 1.00 73.20 H new ATOM 0 HD2 TYR A 52 15.643 -69.674 -15.369 1.00 31.11 H new ATOM 0 HE1 TYR A 52 20.136 -67.673 -15.218 1.00 34.30 H new ATOM 0 HE2 TYR A 52 15.914 -67.248 -15.626 1.00 52.05 H new ATOM 0 HH TYR A 52 17.307 -65.537 -15.693 1.00 53.21 H new ATOM 791 N THR A 53 17.416 -74.670 -16.009 1.00 44.10 N ATOM 792 CA THR A 53 17.566 -76.108 -15.795 1.00 3.41 C ATOM 793 C THR A 53 18.645 -76.655 -16.734 1.00 73.23 C ATOM 794 O THR A 53 19.494 -77.461 -16.337 1.00 72.33 O ATOM 795 CB THR A 53 16.230 -76.849 -16.031 1.00 45.12 C ATOM 796 OG1 THR A 53 15.192 -76.222 -15.265 1.00 53.20 O ATOM 797 CG2 THR A 53 16.334 -78.323 -15.643 1.00 71.23 C ATOM 0 H THR A 53 16.497 -74.385 -16.349 1.00 44.10 H new ATOM 0 HA THR A 53 17.864 -76.275 -14.760 1.00 3.41 H new ATOM 0 HB THR A 53 15.994 -76.794 -17.094 1.00 45.12 H new ATOM 0 HG1 THR A 53 14.953 -75.366 -15.677 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.378 -78.815 -15.821 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.106 -78.804 -16.243 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.592 -78.404 -14.587 1.00 71.23 H new ATOM 805 N LYS A 54 18.606 -76.178 -17.978 1.00 52.34 N ATOM 806 CA LYS A 54 19.611 -76.504 -18.985 1.00 30.44 C ATOM 807 C LYS A 54 21.003 -76.136 -18.474 1.00 3.54 C ATOM 808 O LYS A 54 21.891 -76.987 -18.400 1.00 44.10 O ATOM 809 CB LYS A 54 19.297 -75.745 -20.288 1.00 40.44 C ATOM 810 CG LYS A 54 20.403 -75.763 -21.354 1.00 35.45 C ATOM 811 CD LYS A 54 20.446 -77.057 -22.176 1.00 30.33 C ATOM 812 CE LYS A 54 21.084 -78.227 -21.429 1.00 3.15 C ATOM 813 NZ LYS A 54 21.330 -79.382 -22.333 1.00 23.31 N ATOM 0 H LYS A 54 17.874 -75.553 -18.315 1.00 52.34 H new ATOM 0 HA LYS A 54 19.590 -77.575 -19.185 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.392 -76.168 -20.723 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.076 -74.707 -20.038 1.00 40.44 H new ATOM 0 HG2 LYS A 54 20.259 -74.919 -22.029 1.00 35.45 H new ATOM 0 HG3 LYS A 54 21.367 -75.620 -20.867 1.00 35.45 H new ATOM 0 HD2 LYS A 54 19.431 -77.330 -22.465 1.00 30.33 H new ATOM 0 HD3 LYS A 54 21.002 -76.876 -23.096 1.00 30.33 H new ATOM 0 HE2 LYS A 54 22.025 -77.906 -20.983 1.00 3.15 H new ATOM 0 HE3 LYS A 54 20.433 -78.536 -20.611 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 21.764 -80.159 -21.794 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 20.428 -79.704 -22.739 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 21.971 -79.093 -23.099 1.00 23.31 H new ATOM 827 N LYS A 55 21.168 -74.862 -18.106 1.00 61.15 N ATOM 828 CA LYS A 55 22.445 -74.360 -17.600 1.00 23.30 C ATOM 829 C LYS A 55 22.954 -75.215 -16.446 1.00 15.04 C ATOM 830 O LYS A 55 24.088 -75.702 -16.476 1.00 2.24 O ATOM 831 CB LYS A 55 22.280 -72.910 -17.106 1.00 11.43 C ATOM 832 CG LYS A 55 23.502 -72.377 -16.356 1.00 64.44 C ATOM 833 CD LYS A 55 23.195 -71.076 -15.618 1.00 65.33 C ATOM 834 CE LYS A 55 24.410 -70.557 -14.853 1.00 14.41 C ATOM 835 NZ LYS A 55 24.887 -71.510 -13.808 1.00 63.50 N ATOM 0 H LYS A 55 20.430 -74.159 -18.150 1.00 61.15 H new ATOM 0 HA LYS A 55 23.166 -74.401 -18.417 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.078 -72.264 -17.961 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.410 -72.854 -16.452 1.00 11.43 H new ATOM 0 HG2 LYS A 55 23.845 -73.126 -15.643 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.317 -72.211 -17.061 1.00 64.44 H new ATOM 0 HD2 LYS A 55 22.866 -70.322 -16.333 1.00 65.33 H new ATOM 0 HD3 LYS A 55 22.370 -71.238 -14.924 1.00 65.33 H new ATOM 0 HE2 LYS A 55 25.220 -70.361 -15.556 1.00 14.41 H new ATOM 0 HE3 LYS A 55 24.159 -69.606 -14.383 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 25.599 -71.043 -13.211 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 24.084 -71.810 -13.219 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 25.311 -72.342 -14.265 1.00 63.50 H new ATOM 849 N GLU A 56 22.093 -75.418 -15.459 1.00 61.35 N ATOM 850 CA GLU A 56 22.475 -76.077 -14.223 1.00 4.44 C ATOM 851 C GLU A 56 22.929 -77.507 -14.488 1.00 34.44 C ATOM 852 O GLU A 56 24.077 -77.873 -14.208 1.00 61.15 O ATOM 853 CB GLU A 56 21.303 -76.076 -13.236 1.00 12.34 C ATOM 854 CG GLU A 56 21.701 -76.504 -11.830 1.00 53.51 C ATOM 855 CD GLU A 56 22.646 -75.501 -11.174 1.00 25.14 C ATOM 856 OE1 GLU A 56 22.160 -74.505 -10.597 1.00 24.04 O ATOM 857 OE2 GLU A 56 23.879 -75.685 -11.255 1.00 63.10 O ATOM 0 H GLU A 56 21.115 -75.131 -15.494 1.00 61.35 H new ATOM 0 HA GLU A 56 23.308 -75.525 -13.788 1.00 4.44 H new ATOM 0 HB2 GLU A 56 20.872 -75.076 -13.196 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.525 -76.744 -13.605 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.806 -76.614 -11.217 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.181 -77.482 -11.871 1.00 53.51 H new ATOM 864 N ALA A 57 22.033 -78.297 -15.057 1.00 2.01 N ATOM 865 CA ALA A 57 22.300 -79.705 -15.296 1.00 74.43 C ATOM 866 C ALA A 57 23.515 -79.887 -16.199 1.00 71.13 C ATOM 867 O ALA A 57 24.388 -80.703 -15.912 1.00 12.10 O ATOM 868 CB ALA A 57 21.073 -80.378 -15.895 1.00 4.12 C ATOM 0 H ALA A 57 21.111 -77.985 -15.363 1.00 2.01 H new ATOM 0 HA ALA A 57 22.524 -80.179 -14.341 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.285 -81.433 -16.070 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.234 -80.286 -15.205 1.00 4.12 H new ATOM 0 HB3 ALA A 57 20.819 -79.898 -16.840 1.00 4.12 H new ATOM 874 N ASP A 58 23.583 -79.102 -17.270 1.00 44.45 N ATOM 875 CA ASP A 58 24.670 -79.224 -18.243 1.00 61.14 C ATOM 876 C ASP A 58 26.010 -78.835 -17.616 1.00 50.21 C ATOM 877 O ASP A 58 27.044 -79.437 -17.911 1.00 33.21 O ATOM 878 CB ASP A 58 24.389 -78.355 -19.477 1.00 0.41 C ATOM 879 CG ASP A 58 25.428 -78.534 -20.574 1.00 35.12 C ATOM 880 OD1 ASP A 58 25.376 -79.560 -21.284 1.00 22.10 O ATOM 881 OD2 ASP A 58 26.300 -77.650 -20.733 1.00 32.14 O ATOM 0 H ASP A 58 22.901 -78.375 -17.488 1.00 44.45 H new ATOM 0 HA ASP A 58 24.727 -80.267 -18.555 1.00 61.14 H new ATOM 0 HB2 ASP A 58 23.404 -78.602 -19.873 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.359 -77.307 -19.179 1.00 0.41 H new ATOM 886 N ALA A 59 25.983 -77.834 -16.736 1.00 41.11 N ATOM 887 CA ALA A 59 27.200 -77.339 -16.096 1.00 31.13 C ATOM 888 C ALA A 59 27.753 -78.353 -15.094 1.00 41.12 C ATOM 889 O ALA A 59 28.943 -78.673 -15.114 1.00 73.43 O ATOM 890 CB ALA A 59 26.940 -76.003 -15.409 1.00 33.22 C ATOM 0 H ALA A 59 25.131 -77.351 -16.451 1.00 41.11 H new ATOM 0 HA ALA A 59 27.948 -77.193 -16.875 1.00 31.13 H new ATOM 0 HB1 ALA A 59 27.858 -75.651 -14.938 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.608 -75.273 -16.147 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.168 -76.128 -14.650 1.00 33.22 H new ATOM 896 N LEU A 60 26.887 -78.854 -14.217 1.00 54.24 N ATOM 897 CA LEU A 60 27.298 -79.814 -13.190 1.00 74.52 C ATOM 898 C LEU A 60 27.260 -81.249 -13.724 1.00 2.20 C ATOM 899 O LEU A 60 27.644 -82.189 -13.026 1.00 5.04 O ATOM 900 CB LEU A 60 26.410 -79.687 -11.947 1.00 10.34 C ATOM 901 CG LEU A 60 26.543 -78.374 -11.160 1.00 60.33 C ATOM 902 CD1 LEU A 60 25.600 -78.374 -9.959 1.00 41.11 C ATOM 903 CD2 LEU A 60 27.987 -78.156 -10.710 1.00 51.52 C ATOM 0 H LEU A 60 25.896 -78.613 -14.195 1.00 54.24 H new ATOM 0 HA LEU A 60 28.326 -79.583 -12.912 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.370 -79.801 -12.254 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.637 -80.515 -11.276 1.00 10.34 H new ATOM 0 HG LEU A 60 26.264 -77.551 -11.818 1.00 60.33 H new ATOM 0 HD11 LEU A 60 25.707 -77.437 -9.413 1.00 41.11 H new ATOM 0 HD12 LEU A 60 24.571 -78.478 -10.304 1.00 41.11 H new ATOM 0 HD13 LEU A 60 25.848 -79.208 -9.302 1.00 41.11 H new ATOM 0 HD21 LEU A 60 28.058 -77.221 -10.155 1.00 51.52 H new ATOM 0 HD22 LEU A 60 28.297 -78.982 -10.070 1.00 51.52 H new ATOM 0 HD23 LEU A 60 28.637 -78.109 -11.584 1.00 51.52 H new ATOM 915 N SER A 61 26.788 -81.399 -14.958 1.00 74.52 N ATOM 916 CA SER A 61 26.802 -82.674 -15.667 1.00 3.53 C ATOM 917 C SER A 61 25.843 -83.682 -15.022 1.00 64.03 C ATOM 918 O SER A 61 26.148 -84.874 -14.923 1.00 34.12 O ATOM 919 CB SER A 61 28.239 -83.235 -15.718 1.00 74.53 C ATOM 920 OG SER A 61 28.314 -84.414 -16.507 1.00 63.03 O ATOM 0 H SER A 61 26.382 -80.634 -15.497 1.00 74.52 H new ATOM 0 HA SER A 61 26.456 -82.503 -16.686 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.910 -82.480 -16.127 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.581 -83.452 -14.706 1.00 74.53 H new ATOM 0 HG SER A 61 27.570 -85.009 -16.277 1.00 63.03 H new ATOM 926 N LEU A 62 24.667 -83.202 -14.610 1.00 73.12 N ATOM 927 CA LEU A 62 23.601 -84.100 -14.173 1.00 32.44 C ATOM 928 C LEU A 62 22.933 -84.695 -15.404 1.00 13.42 C ATOM 929 O LEU A 62 22.619 -83.974 -16.355 1.00 54.02 O ATOM 930 CB LEU A 62 22.541 -83.381 -13.302 1.00 62.02 C ATOM 931 CG LEU A 62 22.984 -82.983 -11.879 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.713 -84.140 -11.203 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.844 -81.727 -11.904 1.00 20.31 C ATOM 0 H LEU A 62 24.433 -82.210 -14.571 1.00 73.12 H new ATOM 0 HA LEU A 62 24.047 -84.879 -13.555 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.221 -82.480 -13.826 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.668 -84.029 -13.220 1.00 62.02 H new ATOM 0 HG LEU A 62 22.092 -82.757 -11.294 1.00 31.13 H new ATOM 0 HD11 LEU A 62 24.018 -83.841 -10.200 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.048 -85.001 -11.139 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.595 -84.405 -11.787 1.00 22.14 H new ATOM 0 HD21 LEU A 62 24.142 -81.470 -10.888 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.733 -81.907 -12.508 1.00 20.31 H new ATOM 0 HD23 LEU A 62 23.273 -80.904 -12.334 1.00 20.31 H new ATOM 945 N VAL A 63 22.719 -86.004 -15.388 1.00 63.31 N ATOM 946 CA VAL A 63 22.055 -86.682 -16.492 1.00 53.30 C ATOM 947 C VAL A 63 20.683 -87.166 -16.047 1.00 24.01 C ATOM 948 O VAL A 63 20.436 -87.342 -14.852 1.00 52.40 O ATOM 949 CB VAL A 63 22.898 -87.864 -17.049 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.220 -87.360 -17.629 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.152 -88.923 -15.978 1.00 10.23 C ATOM 0 H VAL A 63 22.996 -86.617 -14.622 1.00 63.31 H new ATOM 0 HA VAL A 63 21.942 -85.964 -17.304 1.00 53.30 H new ATOM 0 HB VAL A 63 22.323 -88.330 -17.849 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.794 -88.203 -18.013 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.018 -86.659 -18.439 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.792 -86.857 -16.849 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.744 -89.734 -16.402 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.694 -88.475 -15.145 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.200 -89.316 -15.622 1.00 10.23 H new ATOM 961 N GLY A 64 19.793 -87.348 -17.008 1.00 15.23 N ATOM 962 CA GLY A 64 18.429 -87.741 -16.711 1.00 55.25 C ATOM 963 C GLY A 64 17.461 -87.096 -17.673 1.00 30.41 C ATOM 964 O GLY A 64 17.720 -87.059 -18.878 1.00 63.55 O ATOM 0 H GLY A 64 19.992 -87.229 -18.001 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.338 -88.826 -16.770 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.178 -87.455 -15.690 1.00 55.25 H new ATOM 968 N TYR A 65 16.353 -86.573 -17.161 1.00 73.32 N ATOM 969 CA TYR A 65 15.367 -85.918 -18.014 1.00 13.32 C ATOM 970 C TYR A 65 14.363 -85.130 -17.183 1.00 31.43 C ATOM 971 O TYR A 65 14.075 -85.496 -16.047 1.00 30.44 O ATOM 972 CB TYR A 65 14.670 -86.961 -18.919 1.00 12.34 C ATOM 973 CG TYR A 65 13.185 -87.167 -18.677 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.730 -88.070 -17.720 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.238 -86.473 -19.427 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.378 -88.270 -17.514 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.889 -86.666 -19.225 1.00 74.34 C ATOM 978 CZ TYR A 65 10.462 -87.567 -18.269 1.00 4.14 C ATOM 979 OH TYR A 65 9.113 -87.766 -18.069 1.00 22.34 O ATOM 0 H TYR A 65 16.115 -86.589 -16.169 1.00 73.32 H new ATOM 0 HA TYR A 65 15.879 -85.203 -18.658 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.810 -86.663 -19.958 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.175 -87.919 -18.791 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.445 -88.623 -17.129 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.567 -85.772 -20.180 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.041 -88.973 -16.766 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.168 -86.115 -19.811 1.00 74.34 H new ATOM 0 HH TYR A 65 8.954 -88.014 -17.134 1.00 22.34 H new ATOM 989 N VAL A 66 13.849 -84.040 -17.750 1.00 23.54 N ATOM 990 CA VAL A 66 12.838 -83.211 -17.074 1.00 72.34 C ATOM 991 C VAL A 66 11.761 -82.770 -18.063 1.00 10.41 C ATOM 992 O VAL A 66 12.066 -82.486 -19.222 1.00 63.31 O ATOM 993 CB VAL A 66 13.470 -81.961 -16.396 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.401 -80.949 -15.974 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.310 -82.373 -15.189 1.00 12.42 C ATOM 0 H VAL A 66 14.113 -83.705 -18.677 1.00 23.54 H new ATOM 0 HA VAL A 66 12.387 -83.825 -16.294 1.00 72.34 H new ATOM 0 HB VAL A 66 14.116 -81.480 -17.131 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.879 -80.089 -15.504 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.845 -80.620 -16.852 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.717 -81.416 -15.265 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.744 -81.486 -14.728 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.678 -82.887 -14.464 1.00 12.42 H new ATOM 0 HG23 VAL A 66 15.108 -83.041 -15.512 1.00 12.42 H new ATOM 1005 N THR A 67 10.509 -82.723 -17.591 1.00 33.35 N ATOM 1006 CA THR A 67 9.365 -82.305 -18.404 1.00 62.00 C ATOM 1007 C THR A 67 8.264 -81.719 -17.515 1.00 43.22 C ATOM 1008 O THR A 67 8.247 -81.946 -16.300 1.00 43.20 O ATOM 1009 CB THR A 67 8.781 -83.487 -19.219 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.712 -83.034 -20.065 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.260 -84.588 -18.300 1.00 52.41 C ATOM 0 H THR A 67 10.263 -82.974 -16.634 1.00 33.35 H new ATOM 0 HA THR A 67 9.724 -81.546 -19.099 1.00 62.00 H new ATOM 0 HB THR A 67 9.586 -83.892 -19.832 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.419 -83.769 -20.643 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.857 -85.403 -18.901 1.00 52.41 H new ATOM 0 HG22 THR A 67 9.076 -84.962 -17.682 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.475 -84.186 -17.660 1.00 52.41 H new ATOM 1019 N ASN A 68 7.347 -80.966 -18.123 1.00 24.14 N ATOM 1020 CA ASN A 68 6.202 -80.396 -17.410 1.00 73.40 C ATOM 1021 C ASN A 68 4.951 -81.222 -17.694 1.00 73.12 C ATOM 1022 O ASN A 68 4.836 -81.833 -18.759 1.00 10.52 O ATOM 1023 CB ASN A 68 5.981 -78.932 -17.833 1.00 71.15 C ATOM 1024 CG ASN A 68 4.651 -78.367 -17.352 1.00 11.14 C ATOM 1025 OD1 ASN A 68 3.644 -78.436 -18.056 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.636 -77.802 -16.154 1.00 71.23 N ATOM 0 H ASN A 68 7.375 -80.735 -19.116 1.00 24.14 H new ATOM 0 HA ASN A 68 6.407 -80.419 -16.340 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.793 -78.320 -17.440 1.00 71.15 H new ATOM 0 HB3 ASN A 68 6.027 -78.863 -18.920 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.770 -77.406 -15.788 1.00 71.23 H new ATOM 0 HD22 ASN A 68 5.490 -77.763 -15.598 1.00 71.23 H new ATOM 1033 N ASN A 69 4.029 -81.250 -16.738 1.00 74.00 N ATOM 1034 CA ASN A 69 2.765 -81.967 -16.894 1.00 52.24 C ATOM 1035 C ASN A 69 1.597 -81.010 -16.677 1.00 5.25 C ATOM 1036 O ASN A 69 1.700 -80.071 -15.884 1.00 52.52 O ATOM 1037 CB ASN A 69 2.673 -83.132 -15.893 1.00 72.13 C ATOM 1038 CG ASN A 69 3.733 -84.202 -16.114 1.00 72.22 C ATOM 1039 OD1 ASN A 69 4.153 -84.852 -15.039 1.00 2.34 O flip ATOM 1040 ND2 ASN A 69 4.171 -84.446 -17.240 1.00 31.15 N flip ATOM 0 H ASN A 69 4.134 -80.780 -15.839 1.00 74.00 H new ATOM 0 HA ASN A 69 2.721 -82.372 -17.905 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.768 -82.740 -14.880 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.686 -83.588 -15.967 1.00 72.13 H new ATOM 0 HD21 ASN A 69 3.825 -83.925 -18.046 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.880 -85.168 -17.366 1.00 31.15 H new ATOM 1047 N GLU A 70 0.491 -81.268 -17.376 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.731 -80.461 -17.262 1.00 54.22 C ATOM 1049 C GLU A 70 -1.184 -80.317 -15.803 1.00 23.41 C ATOM 1050 O GLU A 70 -1.897 -79.375 -15.450 1.00 22.31 O ATOM 1051 CB GLU A 70 -1.851 -81.100 -18.099 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.139 -82.554 -17.728 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.235 -83.174 -18.582 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -2.942 -83.585 -19.724 1.00 22.30 O ATOM 1055 OE2 GLU A 70 -4.394 -83.250 -18.118 1.00 32.11 O ATOM 0 H GLU A 70 0.414 -82.041 -18.037 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.511 -79.462 -17.639 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -2.763 -80.515 -17.977 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -1.579 -81.050 -19.153 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.226 -83.139 -17.836 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.429 -82.606 -16.679 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.748 -81.254 -14.965 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.106 -81.276 -13.548 1.00 52.32 C ATOM 1064 C ASP A 71 -0.530 -80.071 -12.805 1.00 60.33 C ATOM 1065 O ASP A 71 -0.900 -79.804 -11.661 1.00 61.33 O ATOM 1066 CB ASP A 71 -0.591 -82.574 -12.908 1.00 72.43 C ATOM 1067 CG ASP A 71 -1.111 -83.813 -13.618 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -0.518 -84.207 -14.646 1.00 44.11 O ATOM 1069 OD2 ASP A 71 -2.118 -84.391 -13.162 1.00 23.34 O ATOM 0 H ASP A 71 -0.137 -82.020 -15.248 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.192 -81.229 -13.472 1.00 52.32 H new ATOM 0 HB2 ASP A 71 0.499 -82.578 -12.926 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -0.892 -82.605 -11.861 1.00 72.43 H new ATOM 1074 N GLY A 72 0.376 -79.345 -13.458 1.00 2.22 N ATOM 1075 CA GLY A 72 1.005 -78.196 -12.831 1.00 24.21 C ATOM 1076 C GLY A 72 2.248 -78.584 -12.059 1.00 64.40 C ATOM 1077 O GLY A 72 2.908 -77.737 -11.451 1.00 24.14 O ATOM 0 H GLY A 72 0.685 -79.534 -14.412 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.266 -77.463 -13.595 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.295 -77.716 -12.158 1.00 24.21 H new ATOM 1081 N SER A 73 2.556 -79.874 -12.078 1.00 74.30 N ATOM 1082 CA SER A 73 3.742 -80.402 -11.423 1.00 53.52 C ATOM 1083 C SER A 73 4.824 -80.706 -12.459 1.00 5.24 C ATOM 1084 O SER A 73 4.545 -81.328 -13.492 1.00 20.32 O ATOM 1085 CB SER A 73 3.374 -81.671 -10.643 1.00 23.04 C ATOM 1086 OG SER A 73 2.769 -82.640 -11.492 1.00 33.31 O ATOM 0 H SER A 73 1.991 -80.582 -12.547 1.00 74.30 H new ATOM 0 HA SER A 73 4.132 -79.659 -10.728 1.00 53.52 H new ATOM 0 HB2 SER A 73 4.269 -82.093 -10.186 1.00 23.04 H new ATOM 0 HB3 SER A 73 2.691 -81.417 -9.832 1.00 23.04 H new ATOM 0 HG SER A 73 3.464 -83.112 -11.997 1.00 33.31 H new ATOM 1092 N VAL A 74 6.048 -80.265 -12.189 1.00 2.14 N ATOM 1093 CA VAL A 74 7.180 -80.535 -13.068 1.00 23.14 C ATOM 1094 C VAL A 74 7.877 -81.803 -12.592 1.00 45.15 C ATOM 1095 O VAL A 74 8.206 -81.921 -11.411 1.00 50.12 O ATOM 1096 CB VAL A 74 8.190 -79.359 -13.071 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.290 -79.585 -14.109 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.470 -78.034 -13.311 1.00 44.21 C ATOM 0 H VAL A 74 6.282 -79.715 -11.362 1.00 2.14 H new ATOM 0 HA VAL A 74 6.809 -80.659 -14.085 1.00 23.14 H new ATOM 0 HB VAL A 74 8.665 -79.314 -12.091 1.00 61.55 H new ATOM 0 HG11 VAL A 74 9.985 -78.746 -14.091 1.00 25.24 H new ATOM 0 HG12 VAL A 74 9.826 -80.505 -13.877 1.00 25.24 H new ATOM 0 HG13 VAL A 74 8.844 -79.665 -15.100 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.195 -77.220 -13.310 1.00 44.21 H new ATOM 0 HG22 VAL A 74 6.962 -78.065 -14.275 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.738 -77.869 -12.520 1.00 44.21 H new ATOM 1108 N SER A 75 8.095 -82.749 -13.498 1.00 24.41 N ATOM 1109 CA SER A 75 8.611 -84.058 -13.114 1.00 33.53 C ATOM 1110 C SER A 75 9.751 -84.511 -14.025 1.00 25.55 C ATOM 1111 O SER A 75 9.794 -84.166 -15.208 1.00 44.43 O ATOM 1112 CB SER A 75 7.469 -85.078 -13.131 1.00 45.42 C ATOM 1113 OG SER A 75 6.818 -85.100 -14.394 1.00 50.11 O ATOM 0 H SER A 75 7.924 -82.636 -14.497 1.00 24.41 H new ATOM 0 HA SER A 75 9.020 -83.983 -12.106 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.860 -86.070 -12.903 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.748 -84.833 -12.351 1.00 45.42 H new ATOM 0 HG SER A 75 5.855 -84.968 -14.268 1.00 50.11 H new ATOM 1119 N GLY A 76 10.665 -85.285 -13.453 1.00 32.44 N ATOM 1120 CA GLY A 76 11.799 -85.809 -14.186 1.00 51.54 C ATOM 1121 C GLY A 76 12.658 -86.700 -13.307 1.00 43.42 C ATOM 1122 O GLY A 76 12.224 -87.109 -12.228 1.00 53.55 O ATOM 0 H GLY A 76 10.637 -85.563 -12.472 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.447 -86.375 -15.049 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.400 -84.984 -14.569 1.00 51.54 H new ATOM 1126 N VAL A 77 13.864 -87.016 -13.764 1.00 42.05 N ATOM 1127 CA VAL A 77 14.796 -87.851 -13.004 1.00 43.44 C ATOM 1128 C VAL A 77 16.220 -87.317 -13.152 1.00 74.14 C ATOM 1129 O VAL A 77 16.620 -86.905 -14.245 1.00 42.33 O ATOM 1130 CB VAL A 77 14.764 -89.332 -13.476 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.722 -90.189 -12.648 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.346 -89.905 -13.421 1.00 44.22 C ATOM 0 H VAL A 77 14.225 -86.705 -14.666 1.00 42.05 H new ATOM 0 HA VAL A 77 14.484 -87.814 -11.960 1.00 43.44 H new ATOM 0 HB VAL A 77 15.093 -89.353 -14.515 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.682 -91.221 -12.997 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.738 -89.808 -12.757 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.431 -90.150 -11.598 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.359 -90.942 -13.757 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.975 -89.860 -12.397 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.692 -89.321 -14.069 1.00 44.22 H new ATOM 1142 N VAL A 78 16.972 -87.319 -12.050 1.00 11.12 N ATOM 1143 CA VAL A 78 18.388 -86.948 -12.061 1.00 13.11 C ATOM 1144 C VAL A 78 19.237 -88.140 -11.628 1.00 3.40 C ATOM 1145 O VAL A 78 18.847 -88.907 -10.742 1.00 63.53 O ATOM 1146 CB VAL A 78 18.696 -85.750 -11.118 1.00 55.53 C ATOM 1147 CG1 VAL A 78 20.199 -85.484 -11.034 1.00 52.34 C ATOM 1148 CG2 VAL A 78 17.968 -84.489 -11.570 1.00 23.42 C ATOM 0 H VAL A 78 16.619 -87.577 -11.129 1.00 11.12 H new ATOM 0 HA VAL A 78 18.630 -86.648 -13.081 1.00 13.11 H new ATOM 0 HB VAL A 78 18.336 -86.020 -10.125 1.00 55.53 H new ATOM 0 HG11 VAL A 78 20.383 -84.641 -10.368 1.00 52.34 H new ATOM 0 HG12 VAL A 78 20.704 -86.369 -10.647 1.00 52.34 H new ATOM 0 HG13 VAL A 78 20.583 -85.252 -12.027 1.00 52.34 H new ATOM 0 HG21 VAL A 78 18.204 -83.670 -10.891 1.00 23.42 H new ATOM 0 HG22 VAL A 78 18.286 -84.227 -12.579 1.00 23.42 H new ATOM 0 HG23 VAL A 78 16.893 -84.668 -11.564 1.00 23.42 H new ATOM 1158 N GLN A 79 20.388 -88.295 -12.267 1.00 61.04 N ATOM 1159 CA GLN A 79 21.331 -89.353 -11.936 1.00 72.34 C ATOM 1160 C GLN A 79 22.763 -88.859 -12.124 1.00 51.25 C ATOM 1161 O GLN A 79 23.031 -88.000 -12.967 1.00 1.41 O ATOM 1162 CB GLN A 79 21.067 -90.608 -12.790 1.00 75.34 C ATOM 1163 CG GLN A 79 20.325 -90.335 -14.099 1.00 65.40 C ATOM 1164 CD GLN A 79 20.330 -91.518 -15.054 1.00 13.34 C ATOM 1165 OE1 GLN A 79 20.300 -91.349 -16.274 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.374 -92.725 -14.510 1.00 41.24 N ATOM 0 H GLN A 79 20.694 -87.691 -13.030 1.00 61.04 H new ATOM 0 HA GLN A 79 21.194 -89.626 -10.890 1.00 72.34 H new ATOM 0 HB2 GLN A 79 22.020 -91.084 -13.019 1.00 75.34 H new ATOM 0 HB3 GLN A 79 20.489 -91.319 -12.200 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.294 -90.064 -13.874 1.00 65.40 H new ATOM 0 HG3 GLN A 79 20.780 -89.476 -14.593 1.00 65.40 H new ATOM 0 HE21 GLN A 79 20.398 -92.827 -13.495 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.384 -93.553 -15.106 1.00 41.24 H new ATOM 1175 N GLY A 80 23.673 -89.401 -11.322 1.00 73.20 N ATOM 1176 CA GLY A 80 25.068 -89.002 -11.373 1.00 70.11 C ATOM 1177 C GLY A 80 25.696 -89.000 -9.990 1.00 45.11 C ATOM 1178 O GLY A 80 25.209 -89.693 -9.096 1.00 30.00 O ATOM 0 H GLY A 80 23.465 -90.119 -10.628 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.619 -89.682 -12.023 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.147 -88.007 -11.812 1.00 70.11 H new ATOM 1182 N PRO A 81 26.779 -88.226 -9.779 1.00 21.24 N ATOM 1183 CA PRO A 81 27.430 -88.122 -8.466 1.00 24.25 C ATOM 1184 C PRO A 81 26.504 -87.480 -7.431 1.00 43.11 C ATOM 1185 O PRO A 81 25.914 -86.424 -7.688 1.00 61.12 O ATOM 1186 CB PRO A 81 28.654 -87.228 -8.733 1.00 14.12 C ATOM 1187 CG PRO A 81 28.314 -86.475 -9.976 1.00 1.43 C ATOM 1188 CD PRO A 81 27.447 -87.394 -10.796 1.00 73.32 C ATOM 0 HA PRO A 81 27.695 -89.097 -8.056 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.839 -86.551 -7.899 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.557 -87.824 -8.866 1.00 14.12 H new ATOM 0 HG2 PRO A 81 27.788 -85.550 -9.740 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.215 -86.198 -10.523 1.00 1.43 H new ATOM 0 HD2 PRO A 81 26.727 -86.838 -11.397 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.039 -87.998 -11.484 1.00 73.32 H new ATOM 1196 N LYS A 82 26.399 -88.109 -6.261 1.00 34.24 N ATOM 1197 CA LYS A 82 25.497 -87.655 -5.200 1.00 65.22 C ATOM 1198 C LYS A 82 25.718 -86.176 -4.871 1.00 10.03 C ATOM 1199 O LYS A 82 24.798 -85.487 -4.435 1.00 13.55 O ATOM 1200 CB LYS A 82 25.682 -88.526 -3.941 1.00 54.13 C ATOM 1201 CG LYS A 82 24.881 -88.057 -2.718 1.00 14.43 C ATOM 1202 CD LYS A 82 25.773 -87.400 -1.658 1.00 71.14 C ATOM 1203 CE LYS A 82 24.954 -86.727 -0.558 1.00 51.01 C ATOM 1204 NZ LYS A 82 24.271 -85.501 -1.056 1.00 4.33 N ATOM 0 H LYS A 82 26.934 -88.944 -6.021 1.00 34.24 H new ATOM 0 HA LYS A 82 24.473 -87.761 -5.557 1.00 65.22 H new ATOM 0 HB2 LYS A 82 25.393 -89.550 -4.178 1.00 54.13 H new ATOM 0 HB3 LYS A 82 26.740 -88.545 -3.681 1.00 54.13 H new ATOM 0 HG2 LYS A 82 24.116 -87.349 -3.037 1.00 14.43 H new ATOM 0 HG3 LYS A 82 24.363 -88.908 -2.277 1.00 14.43 H new ATOM 0 HD2 LYS A 82 26.425 -88.153 -1.215 1.00 71.14 H new ATOM 0 HD3 LYS A 82 26.417 -86.661 -2.134 1.00 71.14 H new ATOM 0 HE2 LYS A 82 24.212 -87.428 -0.176 1.00 51.01 H new ATOM 0 HE3 LYS A 82 25.607 -86.468 0.275 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 23.925 -84.944 -0.249 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 24.942 -84.930 -1.608 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 23.468 -85.772 -1.660 1.00 4.33 H new ATOM 1218 N GLU A 83 26.937 -85.699 -5.096 1.00 45.34 N ATOM 1219 CA GLU A 83 27.291 -84.307 -4.826 1.00 53.14 C ATOM 1220 C GLU A 83 26.509 -83.355 -5.742 1.00 41.52 C ATOM 1221 O GLU A 83 25.850 -82.423 -5.272 1.00 1.31 O ATOM 1222 CB GLU A 83 28.798 -84.105 -5.030 1.00 53.44 C ATOM 1223 CG GLU A 83 29.659 -85.084 -4.242 1.00 34.25 C ATOM 1224 CD GLU A 83 31.144 -84.795 -4.374 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.620 -83.831 -3.735 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.839 -85.515 -5.124 1.00 25.22 O ATOM 0 H GLU A 83 27.704 -86.260 -5.468 1.00 45.34 H new ATOM 0 HA GLU A 83 27.030 -84.080 -3.792 1.00 53.14 H new ATOM 0 HB2 GLU A 83 29.029 -84.204 -6.091 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.062 -83.088 -4.740 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.377 -85.044 -3.190 1.00 34.25 H new ATOM 0 HG3 GLU A 83 29.458 -86.098 -4.588 1.00 34.25 H new ATOM 1233 N GLN A 84 26.566 -83.612 -7.045 1.00 71.32 N ATOM 1234 CA GLN A 84 25.908 -82.759 -8.031 1.00 73.41 C ATOM 1235 C GLN A 84 24.394 -82.980 -8.013 1.00 4.41 C ATOM 1236 O GLN A 84 23.619 -82.043 -8.212 1.00 35.12 O ATOM 1237 CB GLN A 84 26.489 -83.014 -9.434 1.00 70.43 C ATOM 1238 CG GLN A 84 27.869 -82.395 -9.670 1.00 43.51 C ATOM 1239 CD GLN A 84 28.913 -82.828 -8.651 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.586 -83.843 -8.823 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.063 -82.055 -7.585 1.00 5.13 N ATOM 0 H GLN A 84 27.063 -84.408 -7.445 1.00 71.32 H new ATOM 0 HA GLN A 84 26.096 -81.718 -7.770 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.554 -84.090 -9.597 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.796 -82.621 -10.178 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.213 -82.666 -10.668 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.780 -81.309 -9.647 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.487 -81.220 -7.475 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.754 -82.295 -6.874 1.00 5.13 H new ATOM 1250 N VAL A 85 23.980 -84.225 -7.776 1.00 33.13 N ATOM 1251 CA VAL A 85 22.561 -84.546 -7.597 1.00 22.34 C ATOM 1252 C VAL A 85 22.002 -83.747 -6.417 1.00 73.43 C ATOM 1253 O VAL A 85 20.924 -83.153 -6.501 1.00 53.31 O ATOM 1254 CB VAL A 85 22.355 -86.066 -7.346 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.888 -86.387 -7.065 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.865 -86.883 -8.534 1.00 25.24 C ATOM 0 H VAL A 85 24.605 -85.028 -7.703 1.00 33.13 H new ATOM 0 HA VAL A 85 22.030 -84.279 -8.511 1.00 22.34 H new ATOM 0 HB VAL A 85 22.933 -86.339 -6.463 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.776 -87.458 -6.894 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.559 -85.842 -6.180 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.281 -86.091 -7.920 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.712 -87.944 -8.338 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.319 -86.597 -9.433 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.928 -86.691 -8.678 1.00 25.24 H new ATOM 1266 N ASP A 86 22.773 -83.719 -5.331 1.00 15.30 N ATOM 1267 CA ASP A 86 22.421 -82.955 -4.130 1.00 63.23 C ATOM 1268 C ASP A 86 22.339 -81.466 -4.467 1.00 64.31 C ATOM 1269 O ASP A 86 21.425 -80.762 -4.034 1.00 72.04 O ATOM 1270 CB ASP A 86 23.473 -83.193 -3.035 1.00 35.40 C ATOM 1271 CG ASP A 86 23.068 -82.652 -1.672 1.00 14.31 C ATOM 1272 OD1 ASP A 86 23.340 -81.467 -1.389 1.00 32.10 O ATOM 1273 OD2 ASP A 86 22.514 -83.429 -0.862 1.00 61.35 O ATOM 0 H ASP A 86 23.657 -84.223 -5.256 1.00 15.30 H new ATOM 0 HA ASP A 86 21.449 -83.288 -3.765 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.661 -84.263 -2.950 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.411 -82.727 -3.337 1.00 35.40 H new ATOM 1278 N ALA A 87 23.307 -81.005 -5.258 1.00 21.34 N ATOM 1279 CA ALA A 87 23.328 -79.629 -5.750 1.00 34.53 C ATOM 1280 C ALA A 87 22.042 -79.303 -6.506 1.00 20.20 C ATOM 1281 O ALA A 87 21.470 -78.218 -6.352 1.00 62.15 O ATOM 1282 CB ALA A 87 24.534 -79.417 -6.657 1.00 10.13 C ATOM 0 H ALA A 87 24.094 -81.571 -5.574 1.00 21.34 H new ATOM 0 HA ALA A 87 23.402 -78.959 -4.893 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.541 -78.389 -7.019 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.449 -79.611 -6.097 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.476 -80.099 -7.505 1.00 10.13 H new ATOM 1288 N PHE A 88 21.594 -80.255 -7.323 1.00 23.24 N ATOM 1289 CA PHE A 88 20.389 -80.085 -8.123 1.00 53.22 C ATOM 1290 C PHE A 88 19.158 -80.079 -7.213 1.00 41.43 C ATOM 1291 O PHE A 88 18.182 -79.378 -7.477 1.00 24.23 O ATOM 1292 CB PHE A 88 20.283 -81.199 -9.178 1.00 13.44 C ATOM 1293 CG PHE A 88 19.461 -80.813 -10.386 1.00 60.45 C ATOM 1294 CD1 PHE A 88 18.084 -80.974 -10.394 1.00 41.43 C ATOM 1295 CD2 PHE A 88 20.076 -80.289 -11.516 1.00 2.04 C ATOM 1296 CE1 PHE A 88 17.339 -80.620 -11.505 1.00 43.45 C ATOM 1297 CE2 PHE A 88 19.335 -79.935 -12.627 1.00 65.45 C ATOM 1298 CZ PHE A 88 17.965 -80.101 -12.622 1.00 72.11 C ATOM 0 H PHE A 88 22.054 -81.157 -7.446 1.00 23.24 H new ATOM 0 HA PHE A 88 20.441 -79.130 -8.645 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.286 -81.475 -9.505 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.843 -82.083 -8.717 1.00 13.44 H new ATOM 0 HD1 PHE A 88 17.588 -81.380 -9.525 1.00 41.43 H new ATOM 0 HD2 PHE A 88 21.148 -80.157 -11.526 1.00 2.04 H new ATOM 0 HE1 PHE A 88 16.267 -80.750 -11.499 1.00 43.45 H new ATOM 0 HE2 PHE A 88 19.827 -79.529 -13.498 1.00 65.45 H new ATOM 0 HZ PHE A 88 17.383 -79.826 -13.489 1.00 72.11 H new ATOM 1308 N VAL A 89 19.213 -80.874 -6.144 1.00 5.13 N ATOM 1309 CA VAL A 89 18.158 -80.876 -5.123 1.00 63.22 C ATOM 1310 C VAL A 89 18.007 -79.482 -4.506 1.00 22.42 C ATOM 1311 O VAL A 89 16.902 -78.939 -4.427 1.00 63.11 O ATOM 1312 CB VAL A 89 18.443 -81.899 -3.986 1.00 62.24 C ATOM 1313 CG1 VAL A 89 17.400 -81.790 -2.875 1.00 41.30 C ATOM 1314 CG2 VAL A 89 18.489 -83.323 -4.530 1.00 71.34 C ATOM 0 H VAL A 89 19.976 -81.526 -5.960 1.00 5.13 H new ATOM 0 HA VAL A 89 17.236 -81.167 -5.626 1.00 63.22 H new ATOM 0 HB VAL A 89 19.420 -81.660 -3.565 1.00 62.24 H new ATOM 0 HG11 VAL A 89 17.624 -82.516 -2.094 1.00 41.30 H new ATOM 0 HG12 VAL A 89 17.421 -80.785 -2.453 1.00 41.30 H new ATOM 0 HG13 VAL A 89 16.410 -81.991 -3.284 1.00 41.30 H new ATOM 0 HG21 VAL A 89 18.690 -84.018 -3.714 1.00 71.34 H new ATOM 0 HG22 VAL A 89 17.531 -83.569 -4.988 1.00 71.34 H new ATOM 0 HG23 VAL A 89 19.279 -83.402 -5.277 1.00 71.34 H new ATOM 1324 N LYS A 90 19.128 -78.910 -4.072 1.00 72.24 N ATOM 1325 CA LYS A 90 19.131 -77.571 -3.484 1.00 63.21 C ATOM 1326 C LYS A 90 18.553 -76.568 -4.483 1.00 31.12 C ATOM 1327 O LYS A 90 17.697 -75.747 -4.144 1.00 14.12 O ATOM 1328 CB LYS A 90 20.561 -77.168 -3.091 1.00 12.24 C ATOM 1329 CG LYS A 90 20.636 -75.902 -2.241 1.00 73.32 C ATOM 1330 CD LYS A 90 20.041 -76.117 -0.847 1.00 40.24 C ATOM 1331 CE LYS A 90 20.828 -77.152 -0.043 1.00 1.53 C ATOM 1332 NZ LYS A 90 20.277 -77.339 1.327 1.00 60.33 N ATOM 0 H LYS A 90 20.046 -79.352 -4.116 1.00 72.24 H new ATOM 0 HA LYS A 90 18.513 -77.574 -2.586 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.022 -77.990 -2.543 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.148 -77.021 -3.997 1.00 12.24 H new ATOM 0 HG2 LYS A 90 21.676 -75.588 -2.148 1.00 73.32 H new ATOM 0 HG3 LYS A 90 20.103 -75.095 -2.743 1.00 73.32 H new ATOM 0 HD2 LYS A 90 20.030 -75.170 -0.307 1.00 40.24 H new ATOM 0 HD3 LYS A 90 19.005 -76.442 -0.941 1.00 40.24 H new ATOM 0 HE2 LYS A 90 20.815 -78.106 -0.571 1.00 1.53 H new ATOM 0 HE3 LYS A 90 21.870 -76.840 0.026 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 20.842 -78.049 1.835 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 20.313 -76.436 1.842 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 19.291 -77.663 1.263 1.00 60.33 H new ATOM 1346 N TYR A 91 19.024 -76.675 -5.719 1.00 10.11 N ATOM 1347 CA TYR A 91 18.527 -75.879 -6.836 1.00 12.44 C ATOM 1348 C TYR A 91 17.009 -76.043 -6.985 1.00 44.40 C ATOM 1349 O TYR A 91 16.282 -75.074 -7.211 1.00 2.03 O ATOM 1350 CB TYR A 91 19.265 -76.321 -8.115 1.00 54.24 C ATOM 1351 CG TYR A 91 18.615 -75.903 -9.423 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.802 -74.629 -9.950 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.829 -76.802 -10.142 1.00 52.30 C ATOM 1354 CE1 TYR A 91 18.227 -74.265 -11.154 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.250 -76.444 -11.340 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.451 -75.176 -11.841 1.00 4.44 C ATOM 1357 OH TYR A 91 16.888 -74.818 -13.046 1.00 53.33 O ATOM 0 H TYR A 91 19.769 -77.322 -5.977 1.00 10.11 H new ATOM 0 HA TYR A 91 18.718 -74.821 -6.654 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.277 -75.917 -8.087 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.355 -77.407 -8.105 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.405 -73.914 -9.411 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.671 -77.797 -9.753 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.384 -73.274 -11.554 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.642 -77.153 -11.883 1.00 24.51 H new ATOM 0 HH TYR A 91 16.052 -74.332 -12.885 1.00 53.33 H new ATOM 1367 N LEU A 92 16.546 -77.277 -6.825 1.00 51.34 N ATOM 1368 CA LEU A 92 15.130 -77.605 -6.965 1.00 60.14 C ATOM 1369 C LEU A 92 14.321 -76.964 -5.831 1.00 5.34 C ATOM 1370 O LEU A 92 13.183 -76.539 -6.028 1.00 21.55 O ATOM 1371 CB LEU A 92 14.949 -79.139 -6.956 1.00 42.10 C ATOM 1372 CG LEU A 92 13.977 -79.710 -8.004 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.567 -79.168 -7.800 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.471 -79.408 -9.420 1.00 4.50 C ATOM 0 H LEU A 92 17.137 -78.076 -6.596 1.00 51.34 H new ATOM 0 HA LEU A 92 14.764 -77.210 -7.913 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.925 -79.601 -7.105 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.602 -79.438 -5.967 1.00 42.10 H new ATOM 0 HG LEU A 92 13.943 -80.792 -7.874 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.903 -79.589 -8.555 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.211 -79.445 -6.808 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.578 -78.082 -7.891 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.770 -79.820 -10.146 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.543 -78.329 -9.558 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.452 -79.859 -9.567 1.00 4.50 H new ATOM 1386 N HIS A 93 14.924 -76.901 -4.643 1.00 5.42 N ATOM 1387 CA HIS A 93 14.258 -76.330 -3.466 1.00 23.34 C ATOM 1388 C HIS A 93 14.306 -74.803 -3.476 1.00 11.23 C ATOM 1389 O HIS A 93 13.632 -74.152 -2.672 1.00 14.15 O ATOM 1390 CB HIS A 93 14.884 -76.865 -2.168 1.00 35.40 C ATOM 1391 CG HIS A 93 14.446 -78.255 -1.810 1.00 30.45 C ATOM 1392 ND1 HIS A 93 14.725 -79.452 -2.376 1.00 2.31 N flip ATOM 1393 CD2 HIS A 93 13.628 -78.528 -0.735 1.00 73.34 C flip ATOM 1394 CE1 HIS A 93 14.080 -80.413 -1.641 1.00 65.23 C flip ATOM 1395 NE2 HIS A 93 13.429 -79.827 -0.658 1.00 2.30 N flip ATOM 0 H HIS A 93 15.871 -77.237 -4.468 1.00 5.42 H new ATOM 0 HA HIS A 93 13.213 -76.637 -3.508 1.00 23.34 H new ATOM 0 HB2 HIS A 93 15.969 -76.851 -2.267 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.630 -76.192 -1.349 1.00 35.40 H new ATOM 0 HD1 HIS A 93 15.308 -79.610 -3.198 1.00 2.31 H new ATOM 0 HD2 HIS A 93 13.215 -77.792 -0.061 1.00 73.34 H new ATOM 0 HE1 HIS A 93 14.102 -81.475 -1.836 1.00 65.23 H new ATOM 1404 N LYS A 94 15.110 -74.233 -4.370 1.00 64.43 N ATOM 1405 CA LYS A 94 15.215 -72.782 -4.482 1.00 13.01 C ATOM 1406 C LYS A 94 13.989 -72.234 -5.213 1.00 4.10 C ATOM 1407 O LYS A 94 13.354 -71.271 -4.765 1.00 53.20 O ATOM 1408 CB LYS A 94 16.510 -72.380 -5.213 1.00 13.44 C ATOM 1409 CG LYS A 94 16.956 -70.947 -4.922 1.00 34.11 C ATOM 1410 CD LYS A 94 17.415 -70.787 -3.472 1.00 31.12 C ATOM 1411 CE LYS A 94 17.725 -69.335 -3.116 1.00 75.41 C ATOM 1412 NZ LYS A 94 16.526 -68.462 -3.220 1.00 1.31 N ATOM 0 H LYS A 94 15.696 -74.752 -5.024 1.00 64.43 H new ATOM 0 HA LYS A 94 15.253 -72.353 -3.481 1.00 13.01 H new ATOM 0 HB2 LYS A 94 17.307 -73.065 -4.926 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.362 -72.495 -6.287 1.00 13.44 H new ATOM 0 HG2 LYS A 94 17.769 -70.674 -5.594 1.00 34.11 H new ATOM 0 HG3 LYS A 94 16.133 -70.261 -5.122 1.00 34.11 H new ATOM 0 HD2 LYS A 94 16.640 -71.164 -2.805 1.00 31.12 H new ATOM 0 HD3 LYS A 94 18.303 -71.397 -3.306 1.00 31.12 H new ATOM 0 HE2 LYS A 94 18.119 -69.288 -2.101 1.00 75.41 H new ATOM 0 HE3 LYS A 94 18.505 -68.959 -3.779 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 16.722 -67.547 -2.765 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 16.295 -68.308 -4.222 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 15.721 -68.919 -2.745 1.00 1.31 H new ATOM 1426 N GLY A 95 13.659 -72.871 -6.334 1.00 31.54 N ATOM 1427 CA GLY A 95 12.469 -72.517 -7.086 1.00 21.24 C ATOM 1428 C GLY A 95 12.722 -71.452 -8.140 1.00 10.52 C ATOM 1429 O GLY A 95 13.824 -70.911 -8.240 1.00 3.03 O ATOM 0 H GLY A 95 14.202 -73.634 -6.738 1.00 31.54 H new ATOM 0 HA2 GLY A 95 12.073 -73.410 -7.569 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.703 -72.162 -6.396 1.00 21.24 H new ATOM 1433 N SER A 96 11.692 -71.159 -8.931 1.00 75.45 N ATOM 1434 CA SER A 96 11.774 -70.135 -9.966 1.00 64.44 C ATOM 1435 C SER A 96 11.462 -68.756 -9.372 1.00 73.22 C ATOM 1436 O SER A 96 10.554 -68.627 -8.552 1.00 41.20 O ATOM 1437 CB SER A 96 10.799 -70.472 -11.103 1.00 73.31 C ATOM 1438 OG SER A 96 11.065 -71.764 -11.630 1.00 75.44 O ATOM 0 H SER A 96 10.785 -71.621 -8.872 1.00 75.45 H new ATOM 0 HA SER A 96 12.786 -70.110 -10.369 1.00 64.44 H new ATOM 0 HB2 SER A 96 9.774 -70.429 -10.734 1.00 73.31 H new ATOM 0 HB3 SER A 96 10.885 -69.727 -11.894 1.00 73.31 H new ATOM 0 HG SER A 96 11.861 -71.727 -12.200 1.00 75.44 H new ATOM 1444 N PRO A 97 12.203 -67.707 -9.791 1.00 15.32 N ATOM 1445 CA PRO A 97 12.089 -66.355 -9.213 1.00 63.34 C ATOM 1446 C PRO A 97 10.654 -65.814 -9.229 1.00 3.15 C ATOM 1447 O PRO A 97 10.184 -65.250 -8.242 1.00 13.01 O ATOM 1448 CB PRO A 97 13.011 -65.494 -10.102 1.00 53.52 C ATOM 1449 CG PRO A 97 13.275 -66.321 -11.318 1.00 13.42 C ATOM 1450 CD PRO A 97 13.211 -67.751 -10.862 1.00 51.42 C ATOM 0 HA PRO A 97 12.370 -66.348 -8.160 1.00 63.34 H new ATOM 0 HB2 PRO A 97 12.534 -64.550 -10.365 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.939 -65.249 -9.585 1.00 53.52 H new ATOM 0 HG2 PRO A 97 12.534 -66.124 -12.093 1.00 13.42 H new ATOM 0 HG3 PRO A 97 14.251 -66.090 -11.744 1.00 13.42 H new ATOM 0 HD2 PRO A 97 12.914 -68.420 -11.670 1.00 51.42 H new ATOM 0 HD3 PRO A 97 14.176 -68.102 -10.495 1.00 51.42 H new ATOM 1458 N LYS A 98 9.962 -65.993 -10.351 1.00 53.54 N ATOM 1459 CA LYS A 98 8.595 -65.487 -10.505 1.00 24.34 C ATOM 1460 C LYS A 98 7.603 -66.305 -9.675 1.00 74.31 C ATOM 1461 O LYS A 98 6.563 -65.796 -9.252 1.00 21.32 O ATOM 1462 CB LYS A 98 8.175 -65.519 -11.985 1.00 51.22 C ATOM 1463 CG LYS A 98 6.766 -64.977 -12.245 1.00 43.41 C ATOM 1464 CD LYS A 98 6.687 -63.459 -12.069 1.00 31.02 C ATOM 1465 CE LYS A 98 7.364 -62.723 -13.221 1.00 2.21 C ATOM 1466 NZ LYS A 98 6.676 -62.973 -14.517 1.00 75.23 N ATOM 0 H LYS A 98 10.323 -66.484 -11.169 1.00 53.54 H new ATOM 0 HA LYS A 98 8.582 -64.458 -10.146 1.00 24.34 H new ATOM 0 HB2 LYS A 98 8.890 -64.938 -12.567 1.00 51.22 H new ATOM 0 HB3 LYS A 98 8.230 -66.546 -12.346 1.00 51.22 H new ATOM 0 HG2 LYS A 98 6.459 -65.240 -13.257 1.00 43.41 H new ATOM 0 HG3 LYS A 98 6.063 -65.457 -11.564 1.00 43.41 H new ATOM 0 HD2 LYS A 98 5.643 -63.154 -12.005 1.00 31.02 H new ATOM 0 HD3 LYS A 98 7.160 -63.176 -11.128 1.00 31.02 H new ATOM 0 HE2 LYS A 98 7.372 -61.653 -13.014 1.00 2.21 H new ATOM 0 HE3 LYS A 98 8.404 -63.041 -13.294 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 6.942 -62.235 -15.199 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 6.958 -63.903 -14.886 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 5.646 -62.956 -14.372 1.00 75.23 H new ATOM 1480 N SER A 99 7.943 -67.560 -9.420 1.00 22.33 N ATOM 1481 CA SER A 99 7.000 -68.512 -8.843 1.00 33.13 C ATOM 1482 C SER A 99 7.358 -68.857 -7.399 1.00 51.15 C ATOM 1483 O SER A 99 8.357 -68.374 -6.854 1.00 65.20 O ATOM 1484 CB SER A 99 6.976 -69.785 -9.704 1.00 24.15 C ATOM 1485 OG SER A 99 6.017 -70.722 -9.238 1.00 42.35 O ATOM 0 H SER A 99 8.869 -67.946 -9.604 1.00 22.33 H new ATOM 0 HA SER A 99 6.011 -68.053 -8.831 1.00 33.13 H new ATOM 0 HB2 SER A 99 6.752 -69.520 -10.737 1.00 24.15 H new ATOM 0 HB3 SER A 99 7.964 -70.245 -9.700 1.00 24.15 H new ATOM 0 HG SER A 99 6.030 -71.517 -9.812 1.00 42.35 H new ATOM 1491 N VAL A 100 6.513 -69.676 -6.785 1.00 74.22 N ATOM 1492 CA VAL A 100 6.751 -70.209 -5.452 1.00 45.42 C ATOM 1493 C VAL A 100 6.537 -71.721 -5.476 1.00 51.00 C ATOM 1494 O VAL A 100 5.459 -72.195 -5.849 1.00 74.34 O ATOM 1495 CB VAL A 100 5.806 -69.571 -4.396 1.00 21.34 C ATOM 1496 CG1 VAL A 100 6.046 -70.174 -3.012 1.00 13.01 C ATOM 1497 CG2 VAL A 100 5.971 -68.051 -4.363 1.00 20.43 C ATOM 0 H VAL A 100 5.637 -69.991 -7.202 1.00 74.22 H new ATOM 0 HA VAL A 100 7.776 -69.969 -5.168 1.00 45.42 H new ATOM 0 HB VAL A 100 4.779 -69.793 -4.687 1.00 21.34 H new ATOM 0 HG11 VAL A 100 5.372 -69.710 -2.291 1.00 13.01 H new ATOM 0 HG12 VAL A 100 5.859 -71.247 -3.045 1.00 13.01 H new ATOM 0 HG13 VAL A 100 7.078 -69.995 -2.711 1.00 13.01 H new ATOM 0 HG21 VAL A 100 5.299 -67.628 -3.616 1.00 20.43 H new ATOM 0 HG22 VAL A 100 7.001 -67.802 -4.107 1.00 20.43 H new ATOM 0 HG23 VAL A 100 5.731 -67.638 -5.343 1.00 20.43 H new ATOM 1507 N VAL A 101 7.570 -72.474 -5.110 1.00 73.33 N ATOM 1508 CA VAL A 101 7.479 -73.929 -5.081 1.00 33.12 C ATOM 1509 C VAL A 101 6.603 -74.381 -3.915 1.00 14.21 C ATOM 1510 O VAL A 101 6.954 -74.215 -2.741 1.00 71.23 O ATOM 1511 CB VAL A 101 8.875 -74.610 -5.017 1.00 1.53 C ATOM 1512 CG1 VAL A 101 9.616 -74.426 -6.339 1.00 0.11 C ATOM 1513 CG2 VAL A 101 9.709 -74.072 -3.854 1.00 23.20 C ATOM 0 H VAL A 101 8.477 -72.101 -4.830 1.00 73.33 H new ATOM 0 HA VAL A 101 7.018 -74.244 -6.017 1.00 33.12 H new ATOM 0 HB VAL A 101 8.720 -75.675 -4.846 1.00 1.53 H new ATOM 0 HG11 VAL A 101 10.592 -74.908 -6.279 1.00 0.11 H new ATOM 0 HG12 VAL A 101 9.038 -74.876 -7.146 1.00 0.11 H new ATOM 0 HG13 VAL A 101 9.748 -73.362 -6.537 1.00 0.11 H new ATOM 0 HG21 VAL A 101 10.678 -74.571 -3.840 1.00 23.20 H new ATOM 0 HG22 VAL A 101 9.855 -72.999 -3.977 1.00 23.20 H new ATOM 0 HG23 VAL A 101 9.189 -74.263 -2.915 1.00 23.20 H new ATOM 1523 N LYS A 102 5.453 -74.941 -4.259 1.00 25.24 N ATOM 1524 CA LYS A 102 4.435 -75.312 -3.285 1.00 22.23 C ATOM 1525 C LYS A 102 4.865 -76.551 -2.506 1.00 52.51 C ATOM 1526 O LYS A 102 4.746 -76.595 -1.278 1.00 64.20 O ATOM 1527 CB LYS A 102 3.108 -75.540 -4.021 1.00 14.41 C ATOM 1528 CG LYS A 102 1.929 -75.923 -3.132 1.00 2.24 C ATOM 1529 CD LYS A 102 0.604 -75.749 -3.876 1.00 35.55 C ATOM 1530 CE LYS A 102 0.573 -76.524 -5.191 1.00 34.44 C ATOM 1531 NZ LYS A 102 -0.582 -76.129 -6.042 1.00 11.03 N ATOM 0 H LYS A 102 5.198 -75.152 -5.224 1.00 25.24 H new ATOM 0 HA LYS A 102 4.303 -74.509 -2.560 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.852 -74.631 -4.565 1.00 14.41 H new ATOM 0 HB3 LYS A 102 3.253 -76.325 -4.763 1.00 14.41 H new ATOM 0 HG2 LYS A 102 2.035 -76.958 -2.807 1.00 2.24 H new ATOM 0 HG3 LYS A 102 1.930 -75.305 -2.234 1.00 2.24 H new ATOM 0 HD2 LYS A 102 -0.215 -76.085 -3.239 1.00 35.55 H new ATOM 0 HD3 LYS A 102 0.438 -74.690 -4.076 1.00 35.55 H new ATOM 0 HE2 LYS A 102 1.501 -76.351 -5.736 1.00 34.44 H new ATOM 0 HE3 LYS A 102 0.521 -77.592 -4.981 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -0.566 -76.678 -6.925 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -1.469 -76.317 -5.533 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -0.519 -75.115 -6.264 1.00 11.03 H new ATOM 1545 N LYS A 103 5.372 -77.547 -3.224 1.00 12.03 N ATOM 1546 CA LYS A 103 5.926 -78.745 -2.601 1.00 72.44 C ATOM 1547 C LYS A 103 6.852 -79.474 -3.571 1.00 14.24 C ATOM 1548 O LYS A 103 6.440 -79.873 -4.659 1.00 53.50 O ATOM 1549 CB LYS A 103 4.804 -79.690 -2.133 1.00 61.22 C ATOM 1550 CG LYS A 103 5.307 -81.022 -1.572 1.00 3.35 C ATOM 1551 CD LYS A 103 6.215 -80.835 -0.354 1.00 22.31 C ATOM 1552 CE LYS A 103 5.460 -80.274 0.847 1.00 15.43 C ATOM 1553 NZ LYS A 103 4.413 -81.209 1.330 1.00 35.52 N ATOM 0 H LYS A 103 5.411 -77.549 -4.243 1.00 12.03 H new ATOM 0 HA LYS A 103 6.502 -78.434 -1.730 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.213 -79.185 -1.369 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.137 -79.889 -2.972 1.00 61.22 H new ATOM 0 HG2 LYS A 103 4.454 -81.642 -1.295 1.00 3.35 H new ATOM 0 HG3 LYS A 103 5.852 -81.558 -2.349 1.00 3.35 H new ATOM 0 HD2 LYS A 103 6.661 -81.792 -0.085 1.00 22.31 H new ATOM 0 HD3 LYS A 103 7.033 -80.163 -0.613 1.00 22.31 H new ATOM 0 HE2 LYS A 103 6.163 -80.069 1.654 1.00 15.43 H new ATOM 0 HE3 LYS A 103 5.000 -79.324 0.575 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 4.076 -80.900 2.264 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 3.618 -81.216 0.660 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 4.811 -82.167 1.405 1.00 35.52 H new ATOM 1567 N VAL A 104 8.101 -79.639 -3.165 1.00 20.25 N ATOM 1568 CA VAL A 104 9.065 -80.425 -3.921 1.00 63.52 C ATOM 1569 C VAL A 104 9.022 -81.872 -3.425 1.00 23.40 C ATOM 1570 O VAL A 104 8.912 -82.112 -2.220 1.00 41.12 O ATOM 1571 CB VAL A 104 10.501 -79.869 -3.753 1.00 12.25 C ATOM 1572 CG1 VAL A 104 11.514 -80.696 -4.547 1.00 24.45 C ATOM 1573 CG2 VAL A 104 10.577 -78.393 -4.143 1.00 13.11 C ATOM 0 H VAL A 104 8.474 -79.234 -2.306 1.00 20.25 H new ATOM 0 HA VAL A 104 8.802 -80.373 -4.978 1.00 63.52 H new ATOM 0 HB VAL A 104 10.758 -79.948 -2.697 1.00 12.25 H new ATOM 0 HG11 VAL A 104 12.512 -80.280 -4.408 1.00 24.45 H new ATOM 0 HG12 VAL A 104 11.498 -81.727 -4.194 1.00 24.45 H new ATOM 0 HG13 VAL A 104 11.254 -80.671 -5.605 1.00 24.45 H new ATOM 0 HG21 VAL A 104 11.598 -78.035 -4.013 1.00 13.11 H new ATOM 0 HG22 VAL A 104 10.281 -78.276 -5.186 1.00 13.11 H new ATOM 0 HG23 VAL A 104 9.906 -77.814 -3.509 1.00 13.11 H new ATOM 1583 N SER A 105 9.107 -82.823 -4.342 1.00 70.15 N ATOM 1584 CA SER A 105 9.024 -84.235 -3.997 1.00 14.10 C ATOM 1585 C SER A 105 10.075 -85.025 -4.762 1.00 74.04 C ATOM 1586 O SER A 105 10.132 -84.981 -5.994 1.00 24.02 O ATOM 1587 CB SER A 105 7.618 -84.773 -4.296 1.00 4.52 C ATOM 1588 OG SER A 105 6.638 -84.102 -3.518 1.00 72.03 O ATOM 0 H SER A 105 9.234 -82.641 -5.338 1.00 70.15 H new ATOM 0 HA SER A 105 9.216 -84.349 -2.930 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.395 -84.647 -5.355 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.583 -85.842 -4.088 1.00 4.52 H new ATOM 0 HG SER A 105 5.751 -84.462 -3.728 1.00 72.03 H new ATOM 1594 N ILE A 106 10.925 -85.719 -4.020 1.00 60.24 N ATOM 1595 CA ILE A 106 11.981 -86.536 -4.600 1.00 10.30 C ATOM 1596 C ILE A 106 11.735 -87.997 -4.229 1.00 61.14 C ATOM 1597 O ILE A 106 11.233 -88.285 -3.138 1.00 52.41 O ATOM 1598 CB ILE A 106 13.379 -86.091 -4.092 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.514 -84.556 -4.136 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.478 -86.736 -4.927 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.442 -83.960 -5.528 1.00 61.02 C ATOM 0 H ILE A 106 10.903 -85.732 -3.000 1.00 60.24 H new ATOM 0 HA ILE A 106 11.965 -86.414 -5.683 1.00 10.30 H new ATOM 0 HB ILE A 106 13.484 -86.418 -3.058 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.726 -84.117 -3.525 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.464 -84.274 -3.682 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.452 -86.414 -4.558 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.402 -87.821 -4.852 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.367 -86.435 -5.969 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.546 -82.877 -5.466 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.247 -84.367 -6.140 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.482 -84.207 -5.980 1.00 61.02 H new ATOM 1613 N HIS A 107 12.074 -88.919 -5.126 1.00 62.33 N ATOM 1614 CA HIS A 107 11.778 -90.332 -4.902 1.00 42.21 C ATOM 1615 C HIS A 107 13.021 -91.202 -5.102 1.00 3.14 C ATOM 1616 O HIS A 107 13.912 -90.875 -5.884 1.00 44.31 O ATOM 1617 CB HIS A 107 10.632 -90.793 -5.817 1.00 1.15 C ATOM 1618 CG HIS A 107 10.019 -92.102 -5.406 1.00 52.33 C ATOM 1619 ND1 HIS A 107 9.929 -93.290 -6.054 1.00 63.51 N flip ATOM 1620 CD2 HIS A 107 9.407 -92.291 -4.185 1.00 51.43 C flip ATOM 1621 CE1 HIS A 107 9.277 -94.157 -5.219 1.00 61.40 C flip ATOM 1622 NE2 HIS A 107 8.973 -93.533 -4.099 1.00 21.31 N flip ATOM 0 H HIS A 107 12.549 -88.717 -6.006 1.00 62.33 H new ATOM 0 HA HIS A 107 11.461 -90.448 -3.866 1.00 42.21 H new ATOM 0 HB2 HIS A 107 9.857 -90.027 -5.828 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.007 -90.882 -6.837 1.00 1.15 H new ATOM 0 HD1 HIS A 107 10.281 -93.498 -6.988 1.00 63.51 H new ATOM 0 HD2 HIS A 107 9.300 -91.538 -3.418 1.00 51.43 H new ATOM 0 HE1 HIS A 107 9.048 -95.189 -5.443 1.00 61.40 H new ATOM 1631 N ALA A 108 13.018 -92.331 -4.406 1.00 62.21 N ATOM 1632 CA ALA A 108 14.152 -93.260 -4.307 1.00 71.54 C ATOM 1633 C ALA A 108 14.472 -94.008 -5.610 1.00 51.20 C ATOM 1634 O ALA A 108 15.322 -94.903 -5.604 1.00 13.21 O ATOM 1635 CB ALA A 108 13.919 -94.244 -3.168 1.00 1.01 C ATOM 0 H ALA A 108 12.204 -92.642 -3.876 1.00 62.21 H new ATOM 0 HA ALA A 108 15.029 -92.647 -4.102 1.00 71.54 H new ATOM 0 HB1 ALA A 108 14.764 -94.929 -3.101 1.00 1.01 H new ATOM 0 HB2 ALA A 108 13.819 -93.698 -2.230 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.007 -94.810 -3.357 1.00 1.01 H new ATOM 1641 N SER A 109 13.806 -93.659 -6.710 1.00 22.12 N ATOM 1642 CA SER A 109 13.809 -94.493 -7.910 1.00 13.31 C ATOM 1643 C SER A 109 15.225 -94.711 -8.454 1.00 70.35 C ATOM 1644 O SER A 109 16.029 -93.783 -8.544 1.00 20.01 O ATOM 1645 CB SER A 109 12.962 -93.816 -8.990 1.00 75.32 C ATOM 1646 OG SER A 109 11.619 -93.649 -8.561 1.00 74.32 O ATOM 0 H SER A 109 13.257 -92.803 -6.794 1.00 22.12 H new ATOM 0 HA SER A 109 13.397 -95.466 -7.642 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.391 -92.845 -9.236 1.00 75.32 H new ATOM 0 HB3 SER A 109 12.984 -94.414 -9.901 1.00 75.32 H new ATOM 0 HG SER A 109 11.101 -93.213 -9.269 1.00 74.32 H new ATOM 1652 N SER A 110 15.496 -95.968 -8.808 1.00 53.15 N ATOM 1653 CA SER A 110 16.825 -96.425 -9.197 1.00 44.34 C ATOM 1654 C SER A 110 17.243 -95.905 -10.575 1.00 21.33 C ATOM 1655 O SER A 110 16.475 -95.218 -11.256 1.00 40.12 O ATOM 1656 CB SER A 110 16.853 -97.957 -9.171 1.00 20.12 C ATOM 1657 OG SER A 110 15.721 -98.500 -9.840 1.00 61.20 O ATOM 0 H SER A 110 14.789 -96.703 -8.832 1.00 53.15 H new ATOM 0 HA SER A 110 17.544 -96.023 -8.483 1.00 44.34 H new ATOM 0 HB2 SER A 110 17.767 -98.315 -9.645 1.00 20.12 H new ATOM 0 HB3 SER A 110 16.872 -98.306 -8.139 1.00 20.12 H new ATOM 0 HG SER A 110 15.762 -99.479 -9.811 1.00 61.20 H new ATOM 1663 N ARG A 111 18.466 -96.260 -10.975 1.00 10.21 N ATOM 1664 CA ARG A 111 19.075 -95.768 -12.210 1.00 70.34 C ATOM 1665 C ARG A 111 18.183 -96.017 -13.428 1.00 33.55 C ATOM 1666 O ARG A 111 17.639 -97.108 -13.606 1.00 43.23 O ATOM 1667 CB ARG A 111 20.440 -96.437 -12.426 1.00 25.13 C ATOM 1668 CG ARG A 111 21.261 -95.815 -13.552 1.00 15.51 C ATOM 1669 CD ARG A 111 22.548 -96.591 -13.812 1.00 32.52 C ATOM 1670 NE ARG A 111 22.290 -97.881 -14.457 1.00 21.10 N ATOM 1671 CZ ARG A 111 23.175 -98.879 -14.526 1.00 63.31 C ATOM 1672 NH1 ARG A 111 24.333 -98.794 -13.880 1.00 42.52 N ATOM 1673 NH2 ARG A 111 22.887 -99.974 -15.219 1.00 12.12 N ATOM 0 H ARG A 111 19.063 -96.899 -10.449 1.00 10.21 H new ATOM 0 HA ARG A 111 19.202 -94.691 -12.104 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.012 -96.382 -11.499 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.286 -97.494 -12.643 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.664 -95.786 -14.463 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.504 -94.783 -13.297 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.209 -95.996 -14.442 1.00 32.52 H new ATOM 0 HD3 ARG A 111 23.069 -96.755 -12.869 1.00 32.52 H new ATOM 0 HE ARG A 111 21.374 -98.027 -14.881 1.00 21.10 H new ATOM 0 HH11 ARG A 111 24.549 -97.964 -13.328 1.00 42.52 H new ATOM 0 HH12 ARG A 111 25.005 -99.559 -13.936 1.00 42.52 H new ATOM 0 HH21 ARG A 111 21.990-100.053 -15.699 1.00 12.12 H new ATOM 0 HH22 ARG A 111 23.563-100.736 -15.272 1.00 12.12 H new ATOM 1687 N VAL A 112 18.051 -94.989 -14.260 1.00 42.33 N ATOM 1688 CA VAL A 112 17.287 -95.062 -15.503 1.00 22.53 C ATOM 1689 C VAL A 112 18.161 -94.617 -16.671 1.00 21.24 C ATOM 1690 O VAL A 112 19.310 -94.218 -16.472 1.00 51.15 O ATOM 1691 CB VAL A 112 16.025 -94.161 -15.449 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.059 -94.638 -14.366 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.417 -92.699 -15.225 1.00 12.43 C ATOM 0 H VAL A 112 18.473 -94.076 -14.091 1.00 42.33 H new ATOM 0 HA VAL A 112 16.970 -96.096 -15.637 1.00 22.53 H new ATOM 0 HB VAL A 112 15.514 -94.234 -16.409 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.183 -93.990 -14.349 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.749 -95.661 -14.580 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.555 -94.604 -13.396 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.519 -92.083 -15.190 1.00 12.43 H new ATOM 0 HG22 VAL A 112 16.957 -92.607 -14.283 1.00 12.43 H new ATOM 0 HG23 VAL A 112 17.055 -92.364 -16.043 1.00 12.43 H new ATOM 1703 N ASP A 113 17.630 -94.709 -17.884 1.00 71.41 N ATOM 1704 CA ASP A 113 18.304 -94.142 -19.049 1.00 61.45 C ATOM 1705 C ASP A 113 17.958 -92.666 -19.174 1.00 54.52 C ATOM 1706 O ASP A 113 16.813 -92.264 -18.940 1.00 71.24 O ATOM 1707 CB ASP A 113 17.932 -94.883 -20.343 1.00 13.55 C ATOM 1708 CG ASP A 113 18.733 -96.162 -20.540 1.00 74.32 C ATOM 1709 OD1 ASP A 113 19.979 -96.085 -20.603 1.00 52.52 O ATOM 1710 OD2 ASP A 113 18.124 -97.249 -20.640 1.00 41.05 O ATOM 0 H ASP A 113 16.742 -95.167 -18.088 1.00 71.41 H new ATOM 0 HA ASP A 113 19.378 -94.257 -18.903 1.00 61.45 H new ATOM 0 HB2 ASP A 113 16.869 -95.124 -20.326 1.00 13.55 H new ATOM 0 HB3 ASP A 113 18.095 -94.222 -21.195 1.00 13.55 H new ATOM 1715 N ALA A 114 18.952 -91.865 -19.531 1.00 61.52 N ATOM 1716 CA ALA A 114 18.776 -90.426 -19.673 1.00 14.04 C ATOM 1717 C ALA A 114 18.018 -90.101 -20.956 1.00 42.21 C ATOM 1718 O ALA A 114 17.934 -90.928 -21.868 1.00 32.43 O ATOM 1719 CB ALA A 114 20.131 -89.730 -19.651 1.00 51.25 C ATOM 0 H ALA A 114 19.898 -92.191 -19.729 1.00 61.52 H new ATOM 0 HA ALA A 114 18.185 -90.060 -18.833 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.989 -88.655 -19.758 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.632 -89.938 -18.705 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.743 -90.099 -20.474 1.00 51.25 H new ATOM 1725 N ASP A 115 17.479 -88.890 -21.027 1.00 54.31 N ATOM 1726 CA ASP A 115 16.674 -88.464 -22.172 1.00 31.20 C ATOM 1727 C ASP A 115 16.907 -86.986 -22.471 1.00 74.33 C ATOM 1728 O ASP A 115 17.137 -86.607 -23.621 1.00 33.11 O ATOM 1729 CB ASP A 115 15.186 -88.732 -21.908 1.00 63.02 C ATOM 1730 CG ASP A 115 14.283 -88.255 -23.036 1.00 34.15 C ATOM 1731 OD1 ASP A 115 14.179 -88.957 -24.063 1.00 60.54 O ATOM 1732 OD2 ASP A 115 13.666 -87.178 -22.896 1.00 71.54 O ATOM 0 H ASP A 115 17.584 -88.180 -20.302 1.00 54.31 H new ATOM 0 HA ASP A 115 16.980 -89.042 -23.044 1.00 31.20 H new ATOM 0 HB2 ASP A 115 15.037 -89.801 -21.759 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.893 -88.237 -20.982 1.00 63.02 H new ATOM 1737 N GLY A 116 16.852 -86.156 -21.433 1.00 25.12 N ATOM 1738 CA GLY A 116 17.099 -84.732 -21.603 1.00 51.02 C ATOM 1739 C GLY A 116 16.245 -83.870 -20.691 1.00 52.42 C ATOM 1740 O GLY A 116 15.084 -84.192 -20.404 1.00 24.24 O ATOM 0 H GLY A 116 16.641 -86.443 -20.477 1.00 25.12 H new ATOM 0 HA2 GLY A 116 18.151 -84.525 -21.409 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.906 -84.456 -22.640 1.00 51.02 H new ATOM 1744 N PHE A 117 16.819 -82.776 -20.212 1.00 5.24 N ATOM 1745 CA PHE A 117 16.078 -81.828 -19.397 1.00 2.31 C ATOM 1746 C PHE A 117 15.479 -80.767 -20.310 1.00 32.41 C ATOM 1747 O PHE A 117 16.214 -79.967 -20.898 1.00 0.02 O ATOM 1748 CB PHE A 117 17.020 -81.161 -18.374 1.00 64.33 C ATOM 1749 CG PHE A 117 17.752 -82.128 -17.472 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.739 -82.966 -17.978 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.458 -82.198 -16.117 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.410 -83.848 -17.153 1.00 24.34 C ATOM 1753 CE2 PHE A 117 18.127 -83.077 -15.288 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.104 -83.903 -15.808 1.00 43.44 C ATOM 0 H PHE A 117 17.794 -82.524 -20.374 1.00 5.24 H new ATOM 0 HA PHE A 117 15.287 -82.347 -18.856 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.753 -80.560 -18.912 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.439 -80.477 -17.756 1.00 64.33 H new ATOM 0 HD1 PHE A 117 18.984 -82.927 -19.029 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.694 -81.555 -15.705 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.174 -84.494 -17.560 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.887 -83.118 -14.236 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.629 -84.592 -15.163 1.00 43.44 H new ATOM 1764 N GLU A 118 14.154 -80.761 -20.443 1.00 33.04 N ATOM 1765 CA GLU A 118 13.476 -79.753 -21.247 1.00 23.02 C ATOM 1766 C GLU A 118 11.995 -79.713 -20.912 1.00 63.02 C ATOM 1767 O GLU A 118 11.323 -80.744 -20.907 1.00 13.12 O ATOM 1768 CB GLU A 118 13.700 -80.016 -22.742 1.00 70.42 C ATOM 1769 CG GLU A 118 13.219 -81.379 -23.232 1.00 51.04 C ATOM 1770 CD GLU A 118 13.580 -81.620 -24.689 1.00 53.34 C ATOM 1771 OE1 GLU A 118 14.750 -81.959 -24.965 1.00 62.15 O ATOM 1772 OE2 GLU A 118 12.709 -81.450 -25.568 1.00 71.34 O ATOM 0 H GLU A 118 13.533 -81.441 -20.005 1.00 33.04 H new ATOM 0 HA GLU A 118 13.900 -78.777 -21.012 1.00 23.02 H new ATOM 0 HB2 GLU A 118 13.191 -79.240 -23.313 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.765 -79.923 -22.957 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.659 -82.162 -22.615 1.00 51.04 H new ATOM 0 HG3 GLU A 118 12.138 -81.447 -23.110 1.00 51.04 H new ATOM 1779 N ILE A 119 11.479 -78.525 -20.631 1.00 14.51 N ATOM 1780 CA ILE A 119 10.080 -78.380 -20.263 1.00 51.30 C ATOM 1781 C ILE A 119 9.170 -78.716 -21.445 1.00 62.21 C ATOM 1782 O ILE A 119 8.791 -77.846 -22.233 1.00 44.42 O ATOM 1783 CB ILE A 119 9.781 -76.957 -19.725 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.671 -76.666 -18.505 1.00 24.02 C ATOM 1785 CG2 ILE A 119 8.302 -76.797 -19.370 1.00 53.12 C ATOM 1786 CD1 ILE A 119 10.569 -77.709 -17.410 1.00 71.13 C ATOM 0 H ILE A 119 12.006 -77.652 -20.651 1.00 14.51 H new ATOM 0 HA ILE A 119 9.874 -79.088 -19.460 1.00 51.30 H new ATOM 0 HB ILE A 119 10.007 -76.235 -20.510 1.00 2.53 H new ATOM 0 HG12 ILE A 119 11.708 -76.597 -18.832 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.401 -75.693 -18.094 1.00 24.02 H new ATOM 0 HG21 ILE A 119 8.125 -75.789 -18.996 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.694 -76.966 -20.259 1.00 53.12 H new ATOM 0 HG23 ILE A 119 8.032 -77.522 -18.602 1.00 53.12 H new ATOM 0 HD11 ILE A 119 11.225 -77.435 -16.584 1.00 71.13 H new ATOM 0 HD12 ILE A 119 9.540 -77.763 -17.054 1.00 71.13 H new ATOM 0 HD13 ILE A 119 10.868 -78.680 -17.804 1.00 71.13 H new ATOM 1798 N ARG A 120 8.874 -80.003 -21.572 1.00 2.03 N ATOM 1799 CA ARG A 120 7.947 -80.509 -22.575 1.00 61.44 C ATOM 1800 C ARG A 120 6.516 -80.288 -22.122 1.00 32.31 C ATOM 1801 O ARG A 120 6.216 -80.364 -20.928 1.00 1.25 O ATOM 1802 CB ARG A 120 8.187 -82.002 -22.824 1.00 4.12 C ATOM 1803 CG ARG A 120 9.331 -82.304 -23.780 1.00 2.23 C ATOM 1804 CD ARG A 120 9.611 -83.802 -23.835 1.00 30.01 C ATOM 1805 NE ARG A 120 10.685 -84.156 -24.769 1.00 3.51 N ATOM 1806 CZ ARG A 120 11.782 -84.837 -24.422 1.00 12.41 C ATOM 1807 NH1 ARG A 120 12.030 -85.096 -23.144 1.00 3.32 N ATOM 1808 NH2 ARG A 120 12.641 -85.235 -25.350 1.00 2.32 N ATOM 0 H ARG A 120 9.273 -80.730 -20.978 1.00 2.03 H new ATOM 0 HA ARG A 120 8.116 -79.966 -23.505 1.00 61.44 H new ATOM 0 HB2 ARG A 120 8.389 -82.489 -21.870 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.272 -82.443 -23.220 1.00 4.12 H new ATOM 0 HG2 ARG A 120 9.084 -81.939 -24.777 1.00 2.23 H new ATOM 0 HG3 ARG A 120 10.228 -81.774 -23.460 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.876 -84.152 -22.837 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.700 -84.325 -24.125 1.00 30.01 H new ATOM 0 HE ARG A 120 10.589 -83.865 -25.742 1.00 3.51 H new ATOM 0 HH11 ARG A 120 11.383 -84.775 -22.424 1.00 3.32 H new ATOM 0 HH12 ARG A 120 12.868 -85.616 -22.882 1.00 3.32 H new ATOM 0 HH21 ARG A 120 12.466 -85.022 -26.332 1.00 2.32 H new ATOM 0 HH22 ARG A 120 13.477 -85.754 -25.082 1.00 2.32 H new ATOM 1822 N ARG A 121 5.646 -79.998 -23.074 1.00 14.01 N ATOM 1823 CA ARG A 121 4.234 -79.777 -22.784 1.00 75.33 C ATOM 1824 C ARG A 121 3.386 -80.806 -23.538 1.00 64.21 C ATOM 1825 O ARG A 121 2.585 -80.413 -24.414 1.00 51.44 O ATOM 1826 CB ARG A 121 3.828 -78.342 -23.159 1.00 72.42 C ATOM 1827 CG ARG A 121 4.636 -77.258 -22.453 1.00 14.51 C ATOM 1828 CD ARG A 121 4.111 -75.867 -22.786 1.00 12.45 C ATOM 1829 NE ARG A 121 2.734 -75.676 -22.313 1.00 4.53 N ATOM 1830 CZ ARG A 121 1.828 -74.900 -22.914 1.00 42.14 C ATOM 1831 NH1 ARG A 121 2.137 -74.236 -24.021 1.00 1.44 N ATOM 1832 NH2 ARG A 121 0.611 -74.785 -22.402 1.00 65.01 N ATOM 1833 OXT ARG A 121 3.556 -82.015 -23.276 1.00 0.00 O ATOM 0 H ARG A 121 5.891 -79.909 -24.060 1.00 14.01 H new ATOM 0 HA ARG A 121 4.062 -79.903 -21.715 1.00 75.33 H new ATOM 0 HB2 ARG A 121 3.936 -78.216 -24.236 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.772 -78.202 -22.926 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.595 -77.416 -21.375 1.00 14.51 H new ATOM 0 HG3 ARG A 121 5.683 -77.333 -22.747 1.00 14.51 H new ATOM 0 HD2 ARG A 121 4.758 -75.116 -22.333 1.00 12.45 H new ATOM 0 HD3 ARG A 121 4.150 -75.712 -23.864 1.00 12.45 H new ATOM 0 HE ARG A 121 2.450 -76.170 -21.467 1.00 4.53 H new ATOM 0 HH11 ARG A 121 3.073 -74.316 -24.419 1.00 1.44 H new ATOM 0 HH12 ARG A 121 1.439 -73.646 -24.473 1.00 1.44 H new ATOM 0 HH21 ARG A 121 0.367 -75.289 -21.549 1.00 65.01 H new ATOM 0 HH22 ARG A 121 -0.081 -74.193 -22.860 1.00 65.01 H new