USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=23 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 91 TYR OH : rot 180:sc= -0.088 USER MOD Set 1.2: A 96 SER OG : rot -80:sc= -0.211 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.178 K(o=0.82,f=-2.2!) USER MOD Set 2.2: A 75 SER OG : rot 150:sc= 0.646 USER MOD Set 3.1: A 37 CYS SG : rot 21:sc= -6.04! USER MOD Set 3.2: A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -120:sc=-0.00308 USER MOD Single : A 35 THR OG1 : rot 120:sc= -0.0659 USER MOD Single : A 38 TYR OH : rot 130:sc= -1.19 USER MOD Single : A 41 THR OG1 : rot -55:sc= -1.02! 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 53 THR OG1 : rot 73:sc= 0.278 USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= -2.21 (180deg=-4.97!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -7:sc= 0.0041 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 68 ASN : amide:sc= -0.744 X(o=-0.74,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.861 K(o=-0.86,f=-3.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.0805 K(o=0.081,f=-2.4) USER MOD Single : A 90 LYS NZ :NH3+ -111:sc= 0.0851 (180deg=-0.727!) USER MOD Single : A 93 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.7!) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0652) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0311) USER MOD Single : A 99 SER OG : rot -99:sc= -2.78! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= -0.0237 (180deg=-0.175) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 110 SER OG : rot 52:sc= 0.00623 USER MOD ----------------------------------------------------------------- ATOM 450 N VAL A 33 27.206 -94.146 -7.965 1.00 64.33 N ATOM 451 CA VAL A 33 26.316 -93.216 -8.654 1.00 3.41 C ATOM 452 C VAL A 33 25.054 -92.984 -7.828 1.00 52.31 C ATOM 453 O VAL A 33 24.621 -93.861 -7.075 1.00 55.05 O ATOM 454 CB VAL A 33 25.920 -93.738 -10.061 1.00 32.24 C ATOM 455 CG1 VAL A 33 25.066 -95.001 -9.960 1.00 21.34 C ATOM 456 CG2 VAL A 33 25.200 -92.654 -10.868 1.00 54.35 C ATOM 0 HA VAL A 33 26.856 -92.277 -8.776 1.00 3.41 H new ATOM 0 HB VAL A 33 26.838 -93.996 -10.589 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.804 -95.344 -10.961 1.00 21.34 H new ATOM 0 HG12 VAL A 33 25.628 -95.780 -9.445 1.00 21.34 H new ATOM 0 HG13 VAL A 33 24.156 -94.781 -9.402 1.00 21.34 H new ATOM 0 HG21 VAL A 33 24.934 -93.047 -11.849 1.00 54.35 H new ATOM 0 HG22 VAL A 33 24.295 -92.349 -10.342 1.00 54.35 H new ATOM 0 HG23 VAL A 33 25.857 -91.793 -10.988 1.00 54.35 H new ATOM 466 N THR A 34 24.482 -91.798 -7.962 1.00 32.15 N ATOM 467 CA THR A 34 23.226 -91.459 -7.318 1.00 71.11 C ATOM 468 C THR A 34 22.181 -91.124 -8.378 1.00 2.24 C ATOM 469 O THR A 34 22.487 -90.472 -9.382 1.00 60.35 O ATOM 470 CB THR A 34 23.401 -90.258 -6.360 1.00 3.00 C ATOM 471 OG1 THR A 34 24.507 -90.501 -5.482 1.00 50.55 O ATOM 472 CG2 THR A 34 22.140 -90.016 -5.532 1.00 1.10 C ATOM 0 H THR A 34 24.878 -91.043 -8.522 1.00 32.15 H new ATOM 0 HA THR A 34 22.896 -92.318 -6.734 1.00 71.11 H new ATOM 0 HB THR A 34 23.589 -89.370 -6.963 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.195 -90.493 -4.553 1.00 50.55 H new ATOM 0 HG21 THR A 34 22.298 -89.165 -4.869 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.302 -89.808 -6.197 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.919 -90.903 -4.938 1.00 1.10 H new ATOM 480 N THR A 35 20.962 -91.593 -8.172 1.00 71.32 N ATOM 481 CA THR A 35 19.861 -91.305 -9.077 1.00 44.34 C ATOM 482 C THR A 35 18.575 -91.131 -8.285 1.00 64.43 C ATOM 483 O THR A 35 18.285 -91.915 -7.380 1.00 74.11 O ATOM 484 CB THR A 35 19.686 -92.423 -10.131 1.00 51.43 C ATOM 485 OG1 THR A 35 20.876 -92.528 -10.927 1.00 13.30 O ATOM 486 CG2 THR A 35 18.479 -92.163 -11.035 1.00 62.32 C ATOM 0 H THR A 35 20.708 -92.181 -7.378 1.00 71.32 H new ATOM 0 HA THR A 35 20.092 -90.381 -9.606 1.00 44.34 H new ATOM 0 HB THR A 35 19.511 -93.359 -9.601 1.00 51.43 H new ATOM 0 HG1 THR A 35 21.254 -93.427 -10.834 1.00 13.30 H new ATOM 0 HG21 THR A 35 18.389 -92.970 -11.762 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.574 -92.118 -10.429 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.613 -91.216 -11.558 1.00 62.32 H new ATOM 494 N LEU A 36 17.831 -90.083 -8.609 1.00 13.40 N ATOM 495 CA LEU A 36 16.576 -89.780 -7.931 1.00 32.23 C ATOM 496 C LEU A 36 15.565 -89.254 -8.942 1.00 30.20 C ATOM 497 O LEU A 36 15.906 -88.425 -9.786 1.00 35.32 O ATOM 498 CB LEU A 36 16.792 -88.734 -6.822 1.00 70.33 C ATOM 499 CG LEU A 36 17.666 -89.180 -5.635 1.00 3.23 C ATOM 500 CD1 LEU A 36 17.914 -88.017 -4.679 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.018 -90.352 -4.898 1.00 4.14 C ATOM 0 H LEU A 36 18.077 -89.421 -9.345 1.00 13.40 H new ATOM 0 HA LEU A 36 16.198 -90.695 -7.474 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.244 -87.848 -7.268 1.00 70.33 H new ATOM 0 HB3 LEU A 36 15.817 -88.434 -6.437 1.00 70.33 H new ATOM 0 HG LEU A 36 18.628 -89.511 -6.027 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.533 -88.355 -3.848 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.425 -87.213 -5.209 1.00 10.31 H new ATOM 0 HD13 LEU A 36 16.961 -87.651 -4.296 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.651 -90.652 -4.063 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.041 -90.050 -4.522 1.00 4.14 H new ATOM 0 HD23 LEU A 36 16.899 -91.192 -5.583 1.00 4.14 H new ATOM 513 N CYS A 37 14.337 -89.740 -8.867 1.00 71.23 N ATOM 514 CA CYS A 37 13.271 -89.236 -9.721 1.00 40.31 C ATOM 515 C CYS A 37 12.603 -88.047 -9.041 1.00 32.44 C ATOM 516 O CYS A 37 12.317 -88.088 -7.844 1.00 34.41 O ATOM 517 CB CYS A 37 12.249 -90.335 -10.022 1.00 1.21 C ATOM 518 SG CYS A 37 12.951 -91.772 -10.861 1.00 21.43 S ATOM 0 H CYS A 37 14.053 -90.481 -8.226 1.00 71.23 H new ATOM 0 HA CYS A 37 13.696 -88.913 -10.671 1.00 40.31 H new ATOM 0 HB2 CYS A 37 11.792 -90.659 -9.087 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.453 -89.919 -10.639 1.00 1.21 H new ATOM 0 HG CYS A 37 14.236 -91.805 -10.664 1.00 21.43 H new ATOM 524 N TYR A 38 12.365 -86.993 -9.802 1.00 44.52 N ATOM 525 CA TYR A 38 11.842 -85.745 -9.264 1.00 13.14 C ATOM 526 C TYR A 38 10.424 -85.494 -9.750 1.00 33.50 C ATOM 527 O TYR A 38 10.056 -85.877 -10.859 1.00 34.40 O ATOM 528 CB TYR A 38 12.734 -84.567 -9.688 1.00 2.52 C ATOM 529 CG TYR A 38 14.025 -84.432 -8.900 1.00 51.01 C ATOM 530 CD1 TYR A 38 14.904 -85.496 -8.761 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.359 -83.229 -8.292 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.075 -85.362 -8.041 1.00 42.41 C ATOM 533 CE2 TYR A 38 15.531 -83.089 -7.572 1.00 41.03 C ATOM 534 CZ TYR A 38 16.384 -84.160 -7.451 1.00 0.42 C ATOM 535 OH TYR A 38 17.555 -84.031 -6.740 1.00 72.24 O ATOM 0 H TYR A 38 12.528 -86.976 -10.809 1.00 44.52 H new ATOM 0 HA TYR A 38 11.835 -85.829 -8.177 1.00 13.14 H new ATOM 0 HB2 TYR A 38 12.979 -84.677 -10.744 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.164 -83.643 -9.587 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.669 -86.444 -9.223 1.00 5.21 H new ATOM 0 HD2 TYR A 38 13.690 -82.386 -8.383 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.747 -86.201 -7.942 1.00 42.41 H new ATOM 0 HE2 TYR A 38 15.775 -82.145 -7.108 1.00 41.03 H new ATOM 0 HH TYR A 38 18.035 -83.232 -7.042 1.00 72.24 H new ATOM 545 N ARG A 39 9.636 -84.868 -8.891 1.00 41.31 N ATOM 546 CA ARG A 39 8.324 -84.356 -9.254 1.00 13.40 C ATOM 547 C ARG A 39 7.990 -83.188 -8.335 1.00 14.02 C ATOM 548 O ARG A 39 7.775 -83.374 -7.138 1.00 25.40 O ATOM 549 CB ARG A 39 7.249 -85.450 -9.144 1.00 74.33 C ATOM 550 CG ARG A 39 5.873 -84.994 -9.623 1.00 12.21 C ATOM 551 CD ARG A 39 4.835 -86.106 -9.529 1.00 54.31 C ATOM 552 NE ARG A 39 3.581 -85.735 -10.195 1.00 25.32 N ATOM 553 CZ ARG A 39 2.444 -85.439 -9.560 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.403 -85.395 -8.233 1.00 32.13 N ATOM 555 NH2 ARG A 39 1.351 -85.171 -10.260 1.00 64.21 N ATOM 0 H ARG A 39 9.890 -84.700 -7.917 1.00 41.31 H new ATOM 0 HA ARG A 39 8.342 -84.023 -10.292 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.561 -86.316 -9.728 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.176 -85.775 -8.106 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.546 -84.142 -9.027 1.00 12.21 H new ATOM 0 HG3 ARG A 39 5.944 -84.652 -10.655 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.233 -87.014 -9.982 1.00 54.31 H new ATOM 0 HD3 ARG A 39 4.638 -86.332 -8.481 1.00 54.31 H new ATOM 0 HE ARG A 39 3.578 -85.701 -11.214 1.00 25.32 H new ATOM 0 HH11 ARG A 39 3.245 -85.588 -7.690 1.00 32.13 H new ATOM 0 HH12 ARG A 39 1.530 -85.168 -7.757 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.380 -85.191 -11.279 1.00 64.21 H new ATOM 0 HH22 ARG A 39 0.480 -84.944 -9.779 1.00 64.21 H new ATOM 569 N VAL A 40 7.962 -81.985 -8.887 1.00 72.34 N ATOM 570 CA VAL A 40 7.730 -80.782 -8.094 1.00 72.44 C ATOM 571 C VAL A 40 6.483 -80.047 -8.573 1.00 70.43 C ATOM 572 O VAL A 40 6.144 -80.082 -9.751 1.00 61.43 O ATOM 573 CB VAL A 40 8.950 -79.822 -8.146 1.00 33.24 C ATOM 574 CG1 VAL A 40 9.162 -79.284 -9.555 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.792 -78.678 -7.147 1.00 22.25 C ATOM 0 H VAL A 40 8.097 -81.813 -9.883 1.00 72.34 H new ATOM 0 HA VAL A 40 7.583 -81.101 -7.062 1.00 72.44 H new ATOM 0 HB VAL A 40 9.835 -80.394 -7.866 1.00 33.24 H new ATOM 0 HG11 VAL A 40 10.022 -78.615 -9.563 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.342 -80.114 -10.238 1.00 32.30 H new ATOM 0 HG13 VAL A 40 8.274 -78.738 -9.873 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.660 -78.022 -7.205 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.892 -78.111 -7.383 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.711 -79.084 -6.139 1.00 22.25 H new ATOM 585 N THR A 41 5.805 -79.392 -7.651 1.00 2.24 N ATOM 586 CA THR A 41 4.620 -78.608 -7.957 1.00 62.42 C ATOM 587 C THR A 41 4.988 -77.124 -8.009 1.00 74.20 C ATOM 588 O THR A 41 5.899 -76.690 -7.299 1.00 2.33 O ATOM 589 CB THR A 41 3.529 -78.859 -6.892 1.00 55.34 C ATOM 590 OG1 THR A 41 4.081 -78.673 -5.580 1.00 61.12 O ATOM 591 CG2 THR A 41 2.968 -80.275 -7.008 1.00 64.10 C ATOM 0 H THR A 41 6.060 -79.387 -6.663 1.00 2.24 H new ATOM 0 HA THR A 41 4.228 -78.909 -8.928 1.00 62.42 H new ATOM 0 HB THR A 41 2.719 -78.148 -7.059 1.00 55.34 H new ATOM 0 HG1 THR A 41 4.868 -79.248 -5.472 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.202 -80.426 -6.247 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.530 -80.413 -7.997 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.771 -80.998 -6.863 1.00 64.10 H new ATOM 599 N GLY A 42 4.303 -76.352 -8.849 1.00 41.40 N ATOM 600 CA GLY A 42 4.632 -74.942 -9.006 1.00 24.42 C ATOM 601 C GLY A 42 3.472 -74.025 -8.676 1.00 40.24 C ATOM 602 O GLY A 42 2.311 -74.368 -8.918 1.00 32.35 O ATOM 0 H GLY A 42 3.526 -76.676 -9.424 1.00 41.40 H new ATOM 0 HA2 GLY A 42 5.476 -74.697 -8.362 1.00 24.42 H new ATOM 0 HA3 GLY A 42 4.951 -74.761 -10.032 1.00 24.42 H new ATOM 684 N PHE A 48 9.191 -73.921 -14.219 1.00 44.21 N ATOM 685 CA PHE A 48 10.617 -74.040 -14.519 1.00 43.23 C ATOM 686 C PHE A 48 10.961 -73.352 -15.834 1.00 63.04 C ATOM 687 O PHE A 48 10.203 -73.430 -16.806 1.00 45.54 O ATOM 688 CB PHE A 48 11.022 -75.525 -14.582 1.00 61.12 C ATOM 689 CG PHE A 48 11.587 -76.069 -13.291 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.859 -76.002 -12.112 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.850 -76.642 -13.261 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.380 -76.494 -10.930 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.373 -77.135 -12.083 1.00 23.53 C ATOM 694 CZ PHE A 48 12.638 -77.060 -10.916 1.00 52.33 C ATOM 0 HA PHE A 48 11.173 -73.548 -13.721 1.00 43.23 H new ATOM 0 HB2 PHE A 48 10.150 -76.116 -14.861 1.00 61.12 H new ATOM 0 HB3 PHE A 48 11.761 -75.655 -15.372 1.00 61.12 H new ATOM 0 HD1 PHE A 48 9.874 -75.560 -12.118 1.00 42.11 H new ATOM 0 HD2 PHE A 48 13.430 -76.703 -14.170 1.00 54.45 H new ATOM 0 HE1 PHE A 48 10.803 -76.435 -10.019 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.357 -77.580 -12.074 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.048 -77.444 -9.993 1.00 52.33 H new ATOM 704 N PHE A 49 12.105 -72.677 -15.851 1.00 15.34 N ATOM 705 CA PHE A 49 12.642 -72.089 -17.070 1.00 4.40 C ATOM 706 C PHE A 49 13.691 -73.024 -17.663 1.00 62.32 C ATOM 707 O PHE A 49 14.728 -73.275 -17.042 1.00 1.00 O ATOM 708 CB PHE A 49 13.252 -70.706 -16.790 1.00 33.40 C ATOM 709 CG PHE A 49 12.242 -69.674 -16.349 1.00 61.25 C ATOM 710 CD1 PHE A 49 11.343 -69.132 -17.258 1.00 61.52 C ATOM 711 CD2 PHE A 49 12.188 -69.249 -15.029 1.00 2.54 C ATOM 712 CE1 PHE A 49 10.412 -68.191 -16.859 1.00 52.45 C ATOM 713 CE2 PHE A 49 11.260 -68.309 -14.625 1.00 70.11 C ATOM 714 CZ PHE A 49 10.373 -67.778 -15.541 1.00 63.23 C ATOM 0 H PHE A 49 12.683 -72.523 -15.024 1.00 15.34 H new ATOM 0 HA PHE A 49 11.830 -71.956 -17.785 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.017 -70.805 -16.019 1.00 33.40 H new ATOM 0 HB3 PHE A 49 13.752 -70.350 -17.691 1.00 33.40 H new ATOM 0 HD1 PHE A 49 11.371 -69.450 -18.290 1.00 61.52 H new ATOM 0 HD2 PHE A 49 12.880 -69.658 -14.308 1.00 2.54 H new ATOM 0 HE1 PHE A 49 9.717 -67.780 -17.576 1.00 52.45 H new ATOM 0 HE2 PHE A 49 11.228 -67.990 -13.594 1.00 70.11 H new ATOM 0 HZ PHE A 49 9.649 -67.040 -15.227 1.00 63.23 H new ATOM 724 N ARG A 50 13.407 -73.534 -18.861 1.00 20.24 N ATOM 725 CA ARG A 50 14.266 -74.506 -19.545 1.00 11.11 C ATOM 726 C ARG A 50 15.724 -74.049 -19.563 1.00 62.02 C ATOM 727 O ARG A 50 16.638 -74.847 -19.353 1.00 13.04 O ATOM 728 CB ARG A 50 13.770 -74.720 -20.984 1.00 4.24 C ATOM 729 CG ARG A 50 14.567 -75.752 -21.781 1.00 63.42 C ATOM 730 CD ARG A 50 14.090 -75.828 -23.229 1.00 31.41 C ATOM 731 NE ARG A 50 14.812 -76.842 -24.005 1.00 52.04 N ATOM 732 CZ ARG A 50 15.308 -76.641 -25.229 1.00 22.45 C ATOM 733 NH1 ARG A 50 15.272 -75.434 -25.782 1.00 12.14 N ATOM 734 NH2 ARG A 50 15.863 -77.647 -25.890 1.00 70.43 N ATOM 0 H ARG A 50 12.571 -73.285 -19.389 1.00 20.24 H new ATOM 0 HA ARG A 50 14.214 -75.446 -18.995 1.00 11.11 H new ATOM 0 HB2 ARG A 50 12.726 -75.031 -20.953 1.00 4.24 H new ATOM 0 HB3 ARG A 50 13.803 -73.767 -21.512 1.00 4.24 H new ATOM 0 HG2 ARG A 50 15.625 -75.493 -21.758 1.00 63.42 H new ATOM 0 HG3 ARG A 50 14.468 -76.731 -21.312 1.00 63.42 H new ATOM 0 HD2 ARG A 50 13.024 -76.053 -23.246 1.00 31.41 H new ATOM 0 HD3 ARG A 50 14.217 -74.854 -23.702 1.00 31.41 H new ATOM 0 HE ARG A 50 14.944 -77.761 -23.582 1.00 52.04 H new ATOM 0 HH11 ARG A 50 14.863 -74.651 -25.272 1.00 12.14 H new ATOM 0 HH12 ARG A 50 15.653 -75.290 -26.717 1.00 12.14 H new ATOM 0 HH21 ARG A 50 15.911 -78.573 -25.464 1.00 70.43 H new ATOM 0 HH22 ARG A 50 16.242 -77.496 -26.825 1.00 70.43 H new ATOM 748 N LYS A 51 15.927 -72.760 -19.804 1.00 31.42 N ATOM 749 CA LYS A 51 17.269 -72.188 -19.892 1.00 51.24 C ATOM 750 C LYS A 51 18.009 -72.319 -18.559 1.00 43.40 C ATOM 751 O LYS A 51 19.208 -72.617 -18.528 1.00 4.25 O ATOM 752 CB LYS A 51 17.184 -70.716 -20.316 1.00 42.54 C ATOM 753 CG LYS A 51 16.501 -70.513 -21.668 1.00 63.21 C ATOM 754 CD LYS A 51 16.274 -69.037 -21.984 1.00 2.41 C ATOM 755 CE LYS A 51 17.581 -68.277 -22.172 1.00 61.10 C ATOM 756 NZ LYS A 51 17.344 -66.821 -22.361 1.00 63.52 N ATOM 0 H LYS A 51 15.175 -72.085 -19.943 1.00 31.42 H new ATOM 0 HA LYS A 51 17.831 -72.742 -20.644 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.640 -70.157 -19.555 1.00 42.54 H new ATOM 0 HB3 LYS A 51 18.190 -70.299 -20.359 1.00 42.54 H new ATOM 0 HG2 LYS A 51 17.111 -70.961 -22.452 1.00 63.21 H new ATOM 0 HG3 LYS A 51 15.544 -71.035 -21.672 1.00 63.21 H new ATOM 0 HD2 LYS A 51 15.673 -68.950 -22.889 1.00 2.41 H new ATOM 0 HD3 LYS A 51 15.703 -68.579 -21.177 1.00 2.41 H new ATOM 0 HE2 LYS A 51 18.221 -68.433 -21.304 1.00 61.10 H new ATOM 0 HE3 LYS A 51 18.113 -68.675 -23.036 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 18.255 -66.334 -22.486 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 16.753 -66.672 -23.204 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 16.858 -66.437 -21.525 1.00 63.52 H new ATOM 770 N TYR A 52 17.289 -72.112 -17.457 1.00 33.33 N ATOM 771 CA TYR A 52 17.876 -72.235 -16.125 1.00 52.21 C ATOM 772 C TYR A 52 18.095 -73.701 -15.770 1.00 31.13 C ATOM 773 O TYR A 52 19.102 -74.053 -15.154 1.00 33.12 O ATOM 774 CB TYR A 52 16.996 -71.554 -15.065 1.00 51.11 C ATOM 775 CG TYR A 52 17.089 -70.038 -15.060 1.00 65.03 C ATOM 776 CD1 TYR A 52 18.315 -69.398 -15.216 1.00 73.20 C ATOM 777 CD2 TYR A 52 15.957 -69.246 -14.891 1.00 31.11 C ATOM 778 CE1 TYR A 52 18.411 -68.021 -15.202 1.00 34.30 C ATOM 779 CE2 TYR A 52 16.048 -67.866 -14.873 1.00 52.05 C ATOM 780 CZ TYR A 52 17.277 -67.260 -15.030 1.00 23.30 C ATOM 781 OH TYR A 52 17.373 -65.886 -15.006 1.00 53.21 O ATOM 0 H TYR A 52 16.301 -71.859 -17.461 1.00 33.33 H new ATOM 0 HA TYR A 52 18.842 -71.730 -16.138 1.00 52.21 H new ATOM 0 HB2 TYR A 52 15.958 -71.843 -15.230 1.00 51.11 H new ATOM 0 HB3 TYR A 52 17.278 -71.927 -14.080 1.00 51.11 H new ATOM 0 HD1 TYR A 52 19.208 -69.990 -15.351 1.00 73.20 H new ATOM 0 HD2 TYR A 52 14.992 -69.717 -14.772 1.00 31.11 H new ATOM 0 HE1 TYR A 52 19.372 -67.543 -15.325 1.00 34.30 H new ATOM 0 HE2 TYR A 52 15.161 -67.266 -14.737 1.00 52.05 H new ATOM 0 HH TYR A 52 16.482 -65.498 -14.878 1.00 53.21 H new ATOM 791 N THR A 53 17.152 -74.549 -16.172 1.00 44.10 N ATOM 792 CA THR A 53 17.259 -75.984 -15.937 1.00 3.41 C ATOM 793 C THR A 53 18.509 -76.534 -16.629 1.00 73.23 C ATOM 794 O THR A 53 19.299 -77.267 -16.028 1.00 72.33 O ATOM 795 CB THR A 53 16.006 -76.732 -16.455 1.00 45.12 C ATOM 796 OG1 THR A 53 14.822 -76.097 -15.952 1.00 53.20 O ATOM 797 CG2 THR A 53 16.020 -78.198 -16.026 1.00 71.23 C ATOM 0 H THR A 53 16.304 -74.265 -16.663 1.00 44.10 H new ATOM 0 HA THR A 53 17.334 -76.145 -14.862 1.00 3.41 H new ATOM 0 HB THR A 53 16.014 -76.694 -17.544 1.00 45.12 H new ATOM 0 HG1 THR A 53 14.688 -75.243 -16.413 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.128 -78.696 -16.405 1.00 71.23 H new ATOM 0 HG22 THR A 53 16.907 -78.687 -16.429 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.035 -78.259 -14.938 1.00 71.23 H new ATOM 805 N LYS A 54 18.691 -76.147 -17.892 1.00 52.34 N ATOM 806 CA LYS A 54 19.850 -76.571 -18.665 1.00 30.44 C ATOM 807 C LYS A 54 21.128 -75.980 -18.086 1.00 3.54 C ATOM 808 O LYS A 54 22.129 -76.677 -17.973 1.00 44.10 O ATOM 809 CB LYS A 54 19.703 -76.177 -20.142 1.00 40.44 C ATOM 810 CG LYS A 54 18.611 -76.941 -20.884 1.00 35.45 C ATOM 811 CD LYS A 54 18.860 -78.456 -20.918 1.00 30.33 C ATOM 812 CE LYS A 54 20.083 -78.845 -21.758 1.00 3.15 C ATOM 813 NZ LYS A 54 21.370 -78.536 -21.077 1.00 23.31 N ATOM 0 H LYS A 54 18.047 -75.540 -18.399 1.00 52.34 H new ATOM 0 HA LYS A 54 19.911 -77.658 -18.606 1.00 30.44 H new ATOM 0 HB2 LYS A 54 19.490 -75.110 -20.203 1.00 40.44 H new ATOM 0 HB3 LYS A 54 20.655 -76.342 -20.647 1.00 40.44 H new ATOM 0 HG2 LYS A 54 17.650 -76.746 -20.407 1.00 35.45 H new ATOM 0 HG3 LYS A 54 18.542 -76.566 -21.905 1.00 35.45 H new ATOM 0 HD2 LYS A 54 18.996 -78.819 -19.899 1.00 30.33 H new ATOM 0 HD3 LYS A 54 17.978 -78.955 -21.319 1.00 30.33 H new ATOM 0 HE2 LYS A 54 20.041 -79.911 -21.981 1.00 3.15 H new ATOM 0 HE3 LYS A 54 20.046 -78.319 -22.712 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 22.023 -79.338 -21.188 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 21.792 -77.685 -21.501 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 21.196 -78.369 -20.065 1.00 23.31 H new ATOM 827 N LYS A 55 21.086 -74.698 -17.714 1.00 61.15 N ATOM 828 CA LYS A 55 22.248 -74.036 -17.114 1.00 23.30 C ATOM 829 C LYS A 55 22.765 -74.839 -15.922 1.00 15.04 C ATOM 830 O LYS A 55 23.948 -75.189 -15.854 1.00 2.24 O ATOM 831 CB LYS A 55 21.885 -72.617 -16.648 1.00 11.43 C ATOM 832 CG LYS A 55 23.011 -71.923 -15.881 1.00 64.44 C ATOM 833 CD LYS A 55 22.542 -70.646 -15.186 1.00 65.33 C ATOM 834 CE LYS A 55 23.636 -70.069 -14.295 1.00 14.41 C ATOM 835 NZ LYS A 55 23.165 -68.896 -13.513 1.00 63.50 N ATOM 0 H LYS A 55 20.266 -74.101 -17.817 1.00 61.15 H new ATOM 0 HA LYS A 55 23.027 -73.975 -17.874 1.00 23.30 H new ATOM 0 HB2 LYS A 55 21.622 -72.014 -17.517 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.000 -72.666 -16.014 1.00 11.43 H new ATOM 0 HG2 LYS A 55 23.417 -72.609 -15.138 1.00 64.44 H new ATOM 0 HG3 LYS A 55 23.821 -71.682 -16.569 1.00 64.44 H new ATOM 0 HD2 LYS A 55 22.251 -69.908 -15.934 1.00 65.33 H new ATOM 0 HD3 LYS A 55 21.656 -70.859 -14.587 1.00 65.33 H new ATOM 0 HE2 LYS A 55 23.990 -70.841 -13.611 1.00 14.41 H new ATOM 0 HE3 LYS A 55 24.486 -69.775 -14.911 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 23.942 -68.538 -12.922 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 22.852 -68.148 -14.164 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 22.371 -69.180 -12.905 1.00 63.50 H new ATOM 849 N GLU A 56 21.853 -75.148 -15.006 1.00 61.35 N ATOM 850 CA GLU A 56 22.186 -75.876 -13.788 1.00 4.44 C ATOM 851 C GLU A 56 22.720 -77.265 -14.124 1.00 34.44 C ATOM 852 O GLU A 56 23.804 -77.659 -13.679 1.00 61.15 O ATOM 853 CB GLU A 56 20.940 -75.988 -12.893 1.00 12.34 C ATOM 854 CG GLU A 56 21.201 -76.623 -11.530 1.00 53.51 C ATOM 855 CD GLU A 56 22.096 -75.773 -10.635 1.00 25.14 C ATOM 856 OE1 GLU A 56 21.928 -74.535 -10.618 1.00 24.04 O ATOM 857 OE2 GLU A 56 22.957 -76.338 -9.925 1.00 63.10 O ATOM 0 H GLU A 56 20.866 -74.902 -15.087 1.00 61.35 H new ATOM 0 HA GLU A 56 22.963 -75.330 -13.253 1.00 4.44 H new ATOM 0 HB2 GLU A 56 20.524 -74.992 -12.743 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.184 -76.574 -13.415 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.249 -76.792 -11.026 1.00 53.51 H new ATOM 0 HG3 GLU A 56 21.663 -77.600 -11.673 1.00 53.51 H new ATOM 864 N ALA A 57 21.957 -77.992 -14.937 1.00 2.01 N ATOM 865 CA ALA A 57 22.292 -79.364 -15.285 1.00 74.43 C ATOM 866 C ALA A 57 23.631 -79.443 -16.021 1.00 71.13 C ATOM 867 O ALA A 57 24.433 -80.334 -15.758 1.00 12.10 O ATOM 868 CB ALA A 57 21.175 -79.977 -16.119 1.00 4.12 C ATOM 0 H ALA A 57 21.099 -77.648 -15.367 1.00 2.01 H new ATOM 0 HA ALA A 57 22.396 -79.935 -14.363 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.434 -81.004 -16.375 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.247 -79.969 -15.547 1.00 4.12 H new ATOM 0 HB3 ALA A 57 21.043 -79.397 -17.033 1.00 4.12 H new ATOM 874 N ASP A 58 23.877 -78.502 -16.930 1.00 44.45 N ATOM 875 CA ASP A 58 25.126 -78.483 -17.700 1.00 61.14 C ATOM 876 C ASP A 58 26.307 -78.166 -16.791 1.00 50.21 C ATOM 877 O ASP A 58 27.339 -78.839 -16.835 1.00 33.21 O ATOM 878 CB ASP A 58 25.071 -77.452 -18.849 1.00 0.41 C ATOM 879 CG ASP A 58 24.139 -77.849 -19.988 1.00 35.12 C ATOM 880 OD1 ASP A 58 24.160 -79.028 -20.406 1.00 32.14 O ATOM 881 OD2 ASP A 58 23.399 -76.976 -20.497 1.00 22.10 O ATOM 0 H ASP A 58 23.233 -77.744 -17.153 1.00 44.45 H new ATOM 0 HA ASP A 58 25.254 -79.475 -18.134 1.00 61.14 H new ATOM 0 HB2 ASP A 58 24.750 -76.491 -18.447 1.00 0.41 H new ATOM 0 HB3 ASP A 58 26.076 -77.311 -19.247 1.00 0.41 H new ATOM 886 N ALA A 59 26.136 -77.147 -15.952 1.00 41.11 N ATOM 887 CA ALA A 59 27.201 -76.681 -15.071 1.00 31.13 C ATOM 888 C ALA A 59 27.648 -77.775 -14.101 1.00 41.12 C ATOM 889 O ALA A 59 28.840 -78.065 -13.980 1.00 73.43 O ATOM 890 CB ALA A 59 26.749 -75.441 -14.310 1.00 33.22 C ATOM 0 H ALA A 59 25.263 -76.626 -15.865 1.00 41.11 H new ATOM 0 HA ALA A 59 28.060 -76.422 -15.691 1.00 31.13 H new ATOM 0 HB1 ALA A 59 27.552 -75.103 -13.656 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.500 -74.650 -15.018 1.00 33.22 H new ATOM 0 HB3 ALA A 59 25.871 -75.682 -13.711 1.00 33.22 H new ATOM 896 N LEU A 60 26.680 -78.392 -13.427 1.00 54.24 N ATOM 897 CA LEU A 60 26.970 -79.440 -12.448 1.00 74.52 C ATOM 898 C LEU A 60 27.072 -80.814 -13.119 1.00 2.20 C ATOM 899 O LEU A 60 27.519 -81.778 -12.502 1.00 5.04 O ATOM 900 CB LEU A 60 25.894 -79.453 -11.343 1.00 10.34 C ATOM 901 CG LEU A 60 26.040 -78.390 -10.235 1.00 60.33 C ATOM 902 CD1 LEU A 60 27.251 -78.682 -9.351 1.00 41.11 C ATOM 903 CD2 LEU A 60 26.127 -76.981 -10.822 1.00 51.52 C ATOM 0 H LEU A 60 25.688 -78.185 -13.540 1.00 54.24 H new ATOM 0 HA LEU A 60 27.936 -79.220 -11.993 1.00 74.52 H new ATOM 0 HB2 LEU A 60 24.919 -79.325 -11.813 1.00 10.34 H new ATOM 0 HB3 LEU A 60 25.896 -80.437 -10.875 1.00 10.34 H new ATOM 0 HG LEU A 60 25.145 -78.439 -9.614 1.00 60.33 H new ATOM 0 HD11 LEU A 60 27.330 -77.917 -8.578 1.00 41.11 H new ATOM 0 HD12 LEU A 60 27.133 -79.659 -8.883 1.00 41.11 H new ATOM 0 HD13 LEU A 60 28.155 -78.678 -9.960 1.00 41.11 H new ATOM 0 HD21 LEU A 60 26.229 -76.256 -10.014 1.00 51.52 H new ATOM 0 HD22 LEU A 60 26.992 -76.914 -11.481 1.00 51.52 H new ATOM 0 HD23 LEU A 60 25.221 -76.767 -11.389 1.00 51.52 H new ATOM 915 N SER A 61 26.658 -80.888 -14.384 1.00 74.52 N ATOM 916 CA SER A 61 26.796 -82.093 -15.202 1.00 3.53 C ATOM 917 C SER A 61 25.899 -83.229 -14.695 1.00 64.03 C ATOM 918 O SER A 61 26.350 -84.359 -14.486 1.00 34.12 O ATOM 919 CB SER A 61 28.271 -82.529 -15.256 1.00 74.53 C ATOM 920 OG SER A 61 29.084 -81.487 -15.778 1.00 63.03 O ATOM 0 H SER A 61 26.215 -80.110 -14.873 1.00 74.52 H new ATOM 0 HA SER A 61 26.466 -81.856 -16.213 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.613 -82.798 -14.256 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.370 -83.420 -15.877 1.00 74.53 H new ATOM 0 HG SER A 61 28.514 -80.758 -16.100 1.00 63.03 H new ATOM 926 N LEU A 62 24.610 -82.916 -14.521 1.00 73.12 N ATOM 927 CA LEU A 62 23.607 -83.929 -14.202 1.00 32.44 C ATOM 928 C LEU A 62 23.008 -84.471 -15.494 1.00 13.42 C ATOM 929 O LEU A 62 22.720 -83.711 -16.419 1.00 54.02 O ATOM 930 CB LEU A 62 22.472 -83.370 -13.316 1.00 62.02 C ATOM 931 CG LEU A 62 22.855 -83.001 -11.872 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.647 -84.126 -11.206 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.613 -81.683 -11.834 1.00 20.31 C ATOM 0 H LEU A 62 24.240 -81.968 -14.596 1.00 73.12 H new ATOM 0 HA LEU A 62 24.107 -84.721 -13.644 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.066 -82.482 -13.800 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.671 -84.108 -13.280 1.00 62.02 H new ATOM 0 HG LEU A 62 21.936 -82.870 -11.300 1.00 31.13 H new ATOM 0 HD11 LEU A 62 23.904 -83.836 -10.187 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.043 -85.033 -11.184 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.560 -84.312 -11.771 1.00 22.14 H new ATOM 0 HD21 LEU A 62 23.873 -81.443 -10.803 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.523 -81.770 -12.427 1.00 20.31 H new ATOM 0 HD23 LEU A 62 22.986 -80.891 -12.244 1.00 20.31 H new ATOM 945 N VAL A 63 22.838 -85.783 -15.558 1.00 63.31 N ATOM 946 CA VAL A 63 22.182 -86.412 -16.694 1.00 53.30 C ATOM 947 C VAL A 63 20.837 -86.974 -16.248 1.00 24.01 C ATOM 948 O VAL A 63 20.613 -87.181 -15.056 1.00 52.40 O ATOM 949 CB VAL A 63 23.055 -87.527 -17.326 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.410 -86.966 -17.759 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.239 -88.698 -16.366 1.00 10.23 C ATOM 0 H VAL A 63 23.146 -86.434 -14.835 1.00 63.31 H new ATOM 0 HA VAL A 63 22.030 -85.655 -17.463 1.00 53.30 H new ATOM 0 HB VAL A 63 22.535 -87.900 -18.209 1.00 11.42 H new ATOM 0 HG11 VAL A 63 25.009 -87.762 -18.200 1.00 23.31 H new ATOM 0 HG12 VAL A 63 24.258 -86.176 -18.494 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.929 -86.559 -16.891 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.855 -89.463 -16.839 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.728 -88.349 -15.456 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.266 -89.120 -16.116 1.00 10.23 H new ATOM 961 N GLY A 64 19.940 -87.183 -17.196 1.00 15.23 N ATOM 962 CA GLY A 64 18.606 -87.660 -16.879 1.00 55.25 C ATOM 963 C GLY A 64 17.585 -87.067 -17.821 1.00 30.41 C ATOM 964 O GLY A 64 17.807 -87.040 -19.038 1.00 63.55 O ATOM 0 H GLY A 64 20.111 -87.030 -18.190 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.579 -88.748 -16.945 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.355 -87.396 -15.851 1.00 55.25 H new ATOM 968 N TYR A 65 16.467 -86.589 -17.280 1.00 73.32 N ATOM 969 CA TYR A 65 15.444 -85.949 -18.102 1.00 13.32 C ATOM 970 C TYR A 65 14.421 -85.211 -17.240 1.00 31.43 C ATOM 971 O TYR A 65 14.185 -85.586 -16.093 1.00 30.44 O ATOM 972 CB TYR A 65 14.779 -86.985 -19.038 1.00 12.34 C ATOM 973 CG TYR A 65 13.308 -87.277 -18.782 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.910 -88.228 -17.845 1.00 2.54 C ATOM 975 CD2 TYR A 65 12.317 -86.616 -19.503 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.572 -88.508 -17.638 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.981 -86.888 -19.297 1.00 74.34 C ATOM 978 CZ TYR A 65 10.613 -87.836 -18.365 1.00 4.14 C ATOM 979 OH TYR A 65 9.278 -88.119 -18.170 1.00 22.34 O ATOM 0 H TYR A 65 16.248 -86.632 -16.285 1.00 73.32 H new ATOM 0 HA TYR A 65 15.923 -85.198 -18.729 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.885 -86.636 -20.065 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.332 -87.921 -18.961 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.658 -88.755 -17.271 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.600 -85.876 -20.237 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.280 -89.250 -16.910 1.00 14.21 H new ATOM 0 HE2 TYR A 65 10.226 -86.361 -19.863 1.00 74.34 H new ATOM 0 HH TYR A 65 9.137 -88.407 -17.244 1.00 22.34 H new ATOM 989 N VAL A 66 13.830 -84.155 -17.798 1.00 23.54 N ATOM 990 CA VAL A 66 12.832 -83.346 -17.089 1.00 72.34 C ATOM 991 C VAL A 66 11.689 -82.978 -18.030 1.00 10.41 C ATOM 992 O VAL A 66 11.925 -82.713 -19.210 1.00 63.31 O ATOM 993 CB VAL A 66 13.460 -82.053 -16.484 1.00 1.11 C ATOM 994 CG1 VAL A 66 12.402 -80.981 -16.213 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.215 -82.375 -15.196 1.00 12.42 C ATOM 0 H VAL A 66 14.026 -83.836 -18.747 1.00 23.54 H new ATOM 0 HA VAL A 66 12.446 -83.946 -16.265 1.00 72.34 H new ATOM 0 HB VAL A 66 14.159 -81.657 -17.221 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.880 -80.096 -15.792 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.905 -80.716 -17.146 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.666 -81.366 -15.507 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.646 -81.461 -14.789 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.527 -82.807 -14.469 1.00 12.42 H new ATOM 0 HG23 VAL A 66 15.011 -83.088 -15.410 1.00 12.42 H new ATOM 1005 N THR A 67 10.465 -82.962 -17.490 1.00 33.35 N ATOM 1006 CA THR A 67 9.256 -82.654 -18.251 1.00 62.00 C ATOM 1007 C THR A 67 8.164 -82.097 -17.322 1.00 43.22 C ATOM 1008 O THR A 67 8.234 -82.256 -16.102 1.00 43.20 O ATOM 1009 CB THR A 67 8.718 -83.904 -18.988 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.649 -83.535 -19.863 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.216 -84.958 -18.008 1.00 52.41 C ATOM 0 H THR A 67 10.288 -83.164 -16.506 1.00 33.35 H new ATOM 0 HA THR A 67 9.520 -81.902 -18.994 1.00 62.00 H new ATOM 0 HB THR A 67 9.543 -84.327 -19.562 1.00 20.20 H new ATOM 0 HG1 THR A 67 7.316 -84.332 -20.326 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.846 -85.822 -18.561 1.00 52.41 H new ATOM 0 HG22 THR A 67 9.033 -85.267 -17.356 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.410 -84.540 -17.405 1.00 52.41 H new ATOM 1019 N ASN A 68 7.165 -81.438 -17.908 1.00 24.14 N ATOM 1020 CA ASN A 68 6.063 -80.821 -17.153 1.00 73.40 C ATOM 1021 C ASN A 68 4.830 -81.731 -17.135 1.00 73.12 C ATOM 1022 O ASN A 68 4.649 -82.567 -18.023 1.00 10.52 O ATOM 1023 CB ASN A 68 5.719 -79.447 -17.762 1.00 71.15 C ATOM 1024 CG ASN A 68 4.384 -78.881 -17.296 1.00 11.14 C ATOM 1025 OD1 ASN A 68 3.360 -79.035 -17.964 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.378 -78.234 -16.140 1.00 71.23 N ATOM 0 H ASN A 68 7.092 -81.314 -18.918 1.00 24.14 H new ATOM 0 HA ASN A 68 6.384 -80.681 -16.121 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.510 -78.741 -17.509 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.705 -79.535 -18.848 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.507 -77.845 -15.778 1.00 71.23 H new ATOM 0 HD22 ASN A 68 5.244 -78.125 -15.612 1.00 71.23 H new ATOM 1033 N ASN A 69 3.990 -81.563 -16.115 1.00 74.00 N ATOM 1034 CA ASN A 69 2.782 -82.371 -15.947 1.00 52.24 C ATOM 1035 C ASN A 69 1.536 -81.489 -16.022 1.00 5.25 C ATOM 1036 O ASN A 69 1.614 -80.270 -15.826 1.00 52.52 O ATOM 1037 CB ASN A 69 2.805 -83.103 -14.594 1.00 72.13 C ATOM 1038 CG ASN A 69 3.999 -84.031 -14.412 1.00 72.22 C ATOM 1039 OD1 ASN A 69 4.483 -84.212 -13.293 1.00 2.34 O ATOM 1040 ND2 ASN A 69 4.476 -84.635 -15.493 1.00 31.15 N ATOM 0 H ASN A 69 4.126 -80.865 -15.384 1.00 74.00 H new ATOM 0 HA ASN A 69 2.753 -83.106 -16.752 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.807 -82.364 -13.793 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.888 -83.683 -14.491 1.00 72.13 H new ATOM 0 HD21 ASN A 69 5.268 -85.273 -15.413 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.050 -84.462 -16.404 1.00 31.15 H new ATOM 1047 N GLU A 70 0.386 -82.116 -16.276 1.00 63.52 N ATOM 1048 CA GLU A 70 -0.891 -81.407 -16.400 1.00 54.22 C ATOM 1049 C GLU A 70 -1.164 -80.527 -15.178 1.00 23.41 C ATOM 1050 O GLU A 70 -1.577 -79.376 -15.308 1.00 22.31 O ATOM 1051 CB GLU A 70 -2.047 -82.406 -16.567 1.00 35.24 C ATOM 1052 CG GLU A 70 -3.417 -81.742 -16.716 1.00 73.50 C ATOM 1053 CD GLU A 70 -4.577 -82.715 -16.556 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -5.030 -82.924 -15.408 1.00 32.11 O ATOM 1055 OE2 GLU A 70 -5.048 -83.268 -17.569 1.00 22.30 O ATOM 0 H GLU A 70 0.312 -83.126 -16.401 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.823 -80.771 -17.282 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -1.856 -83.026 -17.443 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -2.068 -83.072 -15.704 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -3.512 -80.949 -15.974 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -3.480 -81.270 -17.697 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.897 -81.073 -13.994 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.223 -80.412 -12.724 1.00 52.32 C ATOM 1064 C ASP A 71 -0.309 -79.221 -12.427 1.00 60.33 C ATOM 1065 O ASP A 71 -0.293 -78.713 -11.301 1.00 61.33 O ATOM 1066 CB ASP A 71 -1.138 -81.422 -11.568 1.00 72.43 C ATOM 1067 CG ASP A 71 -2.253 -82.457 -11.603 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -3.347 -82.178 -11.066 1.00 44.11 O ATOM 1069 OD2 ASP A 71 -2.046 -83.554 -12.169 1.00 23.34 O ATOM 0 H ASP A 71 -0.450 -81.983 -13.883 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.239 -80.030 -12.818 1.00 52.32 H new ATOM 0 HB2 ASP A 71 -0.175 -81.931 -11.607 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -1.177 -80.886 -10.620 1.00 72.43 H new ATOM 1074 N GLY A 72 0.433 -78.760 -13.430 1.00 2.22 N ATOM 1075 CA GLY A 72 1.371 -77.675 -13.221 1.00 24.21 C ATOM 1076 C GLY A 72 2.571 -78.133 -12.423 1.00 64.40 C ATOM 1077 O GLY A 72 3.129 -77.381 -11.621 1.00 24.14 O ATOM 0 H GLY A 72 0.400 -79.120 -14.384 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.699 -77.285 -14.184 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.874 -76.858 -12.698 1.00 24.21 H new ATOM 1081 N SER A 73 2.953 -79.384 -12.637 1.00 74.30 N ATOM 1082 CA SER A 73 4.085 -79.984 -11.949 1.00 53.52 C ATOM 1083 C SER A 73 5.246 -80.187 -12.923 1.00 5.24 C ATOM 1084 O SER A 73 5.095 -79.983 -14.126 1.00 20.32 O ATOM 1085 CB SER A 73 3.659 -81.326 -11.337 1.00 23.04 C ATOM 1086 OG SER A 73 2.469 -81.187 -10.572 1.00 33.31 O ATOM 0 H SER A 73 2.486 -80.011 -13.293 1.00 74.30 H new ATOM 0 HA SER A 73 4.417 -79.318 -11.152 1.00 53.52 H new ATOM 0 HB2 SER A 73 3.501 -82.057 -12.130 1.00 23.04 H new ATOM 0 HB3 SER A 73 4.459 -81.710 -10.704 1.00 23.04 H new ATOM 0 HG SER A 73 2.219 -82.056 -10.195 1.00 33.31 H new ATOM 1092 N VAL A 74 6.401 -80.567 -12.396 1.00 2.14 N ATOM 1093 CA VAL A 74 7.568 -80.879 -13.213 1.00 23.14 C ATOM 1094 C VAL A 74 8.183 -82.186 -12.725 1.00 45.15 C ATOM 1095 O VAL A 74 8.660 -82.269 -11.594 1.00 50.12 O ATOM 1096 CB VAL A 74 8.633 -79.748 -13.161 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.863 -80.115 -13.990 1.00 25.24 C ATOM 1098 CG2 VAL A 74 8.041 -78.421 -13.638 1.00 44.21 C ATOM 0 H VAL A 74 6.557 -80.668 -11.393 1.00 2.14 H new ATOM 0 HA VAL A 74 7.241 -80.975 -14.248 1.00 23.14 H new ATOM 0 HB VAL A 74 8.945 -79.631 -12.123 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.592 -79.307 -13.936 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.306 -81.030 -13.598 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.569 -80.270 -15.028 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.805 -77.645 -13.593 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.692 -78.527 -14.665 1.00 44.21 H new ATOM 0 HG23 VAL A 74 7.204 -78.144 -12.997 1.00 44.21 H new ATOM 1108 N SER A 75 8.146 -83.202 -13.573 1.00 24.41 N ATOM 1109 CA SER A 75 8.650 -84.526 -13.226 1.00 33.53 C ATOM 1110 C SER A 75 9.900 -84.853 -14.039 1.00 25.55 C ATOM 1111 O SER A 75 10.167 -84.217 -15.058 1.00 44.43 O ATOM 1112 CB SER A 75 7.559 -85.570 -13.478 1.00 45.42 C ATOM 1113 OG SER A 75 7.089 -85.506 -14.819 1.00 50.11 O ATOM 0 H SER A 75 7.768 -83.135 -14.518 1.00 24.41 H new ATOM 0 HA SER A 75 8.920 -84.539 -12.170 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.951 -86.566 -13.274 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.729 -85.407 -12.790 1.00 45.42 H new ATOM 0 HG SER A 75 6.795 -86.396 -15.105 1.00 50.11 H new ATOM 1119 N GLY A 76 10.662 -85.844 -13.593 1.00 32.44 N ATOM 1120 CA GLY A 76 11.850 -86.251 -14.318 1.00 51.54 C ATOM 1121 C GLY A 76 12.756 -87.141 -13.493 1.00 43.42 C ATOM 1122 O GLY A 76 12.346 -87.649 -12.452 1.00 53.55 O ATOM 0 H GLY A 76 10.478 -86.374 -12.741 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.555 -86.779 -15.225 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.403 -85.365 -14.630 1.00 51.54 H new ATOM 1126 N VAL A 77 13.986 -87.329 -13.962 1.00 42.05 N ATOM 1127 CA VAL A 77 14.978 -88.149 -13.271 1.00 43.44 C ATOM 1128 C VAL A 77 16.342 -87.462 -13.318 1.00 74.14 C ATOM 1129 O VAL A 77 16.726 -86.912 -14.355 1.00 42.33 O ATOM 1130 CB VAL A 77 15.101 -89.562 -13.909 1.00 53.04 C ATOM 1131 CG1 VAL A 77 16.110 -90.419 -13.145 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.741 -90.257 -13.975 1.00 44.22 C ATOM 0 H VAL A 77 14.324 -86.917 -14.832 1.00 42.05 H new ATOM 0 HA VAL A 77 14.647 -88.265 -12.239 1.00 43.44 H new ATOM 0 HB VAL A 77 15.464 -89.436 -14.929 1.00 53.04 H new ATOM 0 HG11 VAL A 77 16.178 -91.402 -13.610 1.00 73.25 H new ATOM 0 HG12 VAL A 77 17.088 -89.938 -13.169 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.785 -90.529 -12.111 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.858 -91.243 -14.425 1.00 44.22 H new ATOM 0 HG22 VAL A 77 13.338 -90.364 -12.968 1.00 44.22 H new ATOM 0 HG23 VAL A 77 13.057 -89.661 -14.579 1.00 44.22 H new ATOM 1142 N VAL A 78 17.055 -87.478 -12.193 1.00 11.12 N ATOM 1143 CA VAL A 78 18.407 -86.927 -12.119 1.00 13.11 C ATOM 1144 C VAL A 78 19.398 -88.048 -11.820 1.00 3.40 C ATOM 1145 O VAL A 78 19.118 -88.937 -11.004 1.00 63.53 O ATOM 1146 CB VAL A 78 18.530 -85.834 -11.027 1.00 55.53 C ATOM 1147 CG1 VAL A 78 18.549 -86.445 -9.629 1.00 52.34 C ATOM 1148 CG2 VAL A 78 19.767 -84.971 -11.249 1.00 23.42 C ATOM 0 H VAL A 78 16.716 -87.870 -11.314 1.00 11.12 H new ATOM 0 HA VAL A 78 18.629 -86.467 -13.082 1.00 13.11 H new ATOM 0 HB VAL A 78 17.650 -85.196 -11.105 1.00 55.53 H new ATOM 0 HG11 VAL A 78 18.636 -85.652 -8.886 1.00 52.34 H new ATOM 0 HG12 VAL A 78 17.625 -86.999 -9.462 1.00 52.34 H new ATOM 0 HG13 VAL A 78 19.399 -87.121 -9.539 1.00 52.34 H new ATOM 0 HG21 VAL A 78 19.827 -84.213 -10.468 1.00 23.42 H new ATOM 0 HG22 VAL A 78 20.658 -85.597 -11.216 1.00 23.42 H new ATOM 0 HG23 VAL A 78 19.701 -84.484 -12.222 1.00 23.42 H new ATOM 1158 N GLN A 79 20.544 -88.014 -12.492 1.00 61.04 N ATOM 1159 CA GLN A 79 21.560 -89.048 -12.347 1.00 72.34 C ATOM 1160 C GLN A 79 22.948 -88.407 -12.299 1.00 51.25 C ATOM 1161 O GLN A 79 23.256 -87.515 -13.096 1.00 1.41 O ATOM 1162 CB GLN A 79 21.480 -90.035 -13.523 1.00 75.34 C ATOM 1163 CG GLN A 79 20.056 -90.332 -13.994 1.00 65.40 C ATOM 1164 CD GLN A 79 20.013 -91.076 -15.314 1.00 13.34 C ATOM 1165 OE1 GLN A 79 19.100 -90.890 -16.117 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.982 -91.946 -15.532 1.00 41.24 N ATOM 0 H GLN A 79 20.793 -87.274 -13.148 1.00 61.04 H new ATOM 0 HA GLN A 79 21.384 -89.591 -11.418 1.00 72.34 H new ATOM 0 HB2 GLN A 79 22.051 -89.633 -14.360 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.957 -90.971 -13.231 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.543 -90.921 -13.234 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.509 -89.395 -14.093 1.00 65.40 H new ATOM 0 HE21 GLN A 79 21.721 -92.070 -14.840 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.992 -92.494 -16.392 1.00 41.24 H new ATOM 1175 N GLY A 80 23.770 -88.850 -11.358 1.00 73.20 N ATOM 1176 CA GLY A 80 25.121 -88.335 -11.228 1.00 70.11 C ATOM 1177 C GLY A 80 25.680 -88.604 -9.847 1.00 45.11 C ATOM 1178 O GLY A 80 25.076 -89.356 -9.083 1.00 30.00 O ATOM 0 H GLY A 80 23.523 -89.565 -10.674 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.762 -88.796 -11.979 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.124 -87.262 -11.422 1.00 70.11 H new ATOM 1182 N PRO A 81 26.835 -88.019 -9.492 1.00 21.24 N ATOM 1183 CA PRO A 81 27.401 -88.162 -8.146 1.00 24.25 C ATOM 1184 C PRO A 81 26.507 -87.504 -7.095 1.00 43.11 C ATOM 1185 O PRO A 81 25.866 -86.484 -7.369 1.00 61.12 O ATOM 1186 CB PRO A 81 28.756 -87.447 -8.236 1.00 14.12 C ATOM 1187 CG PRO A 81 28.621 -86.515 -9.396 1.00 1.43 C ATOM 1188 CD PRO A 81 27.684 -87.185 -10.366 1.00 73.32 C ATOM 0 HA PRO A 81 27.493 -89.205 -7.843 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.979 -86.905 -7.317 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.568 -88.157 -8.392 1.00 14.12 H new ATOM 0 HG2 PRO A 81 28.226 -85.550 -9.077 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.590 -86.326 -9.858 1.00 1.43 H new ATOM 0 HD2 PRO A 81 27.095 -86.458 -10.925 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.224 -87.787 -11.097 1.00 73.32 H new ATOM 1196 N LYS A 82 26.483 -88.087 -5.896 1.00 34.24 N ATOM 1197 CA LYS A 82 25.651 -87.604 -4.792 1.00 65.22 C ATOM 1198 C LYS A 82 25.768 -86.093 -4.628 1.00 10.03 C ATOM 1199 O LYS A 82 24.764 -85.399 -4.498 1.00 13.55 O ATOM 1200 CB LYS A 82 26.047 -88.333 -3.491 1.00 54.13 C ATOM 1201 CG LYS A 82 25.332 -87.865 -2.217 1.00 14.43 C ATOM 1202 CD LYS A 82 25.960 -86.602 -1.619 1.00 71.14 C ATOM 1203 CE LYS A 82 25.455 -86.334 -0.204 1.00 51.01 C ATOM 1204 NZ LYS A 82 26.231 -85.260 0.466 1.00 4.33 N ATOM 0 H LYS A 82 27.040 -88.909 -5.662 1.00 34.24 H new ATOM 0 HA LYS A 82 24.608 -87.823 -5.020 1.00 65.22 H new ATOM 0 HB2 LYS A 82 25.856 -89.398 -3.621 1.00 54.13 H new ATOM 0 HB3 LYS A 82 27.121 -88.218 -3.345 1.00 54.13 H new ATOM 0 HG2 LYS A 82 24.283 -87.673 -2.443 1.00 14.43 H new ATOM 0 HG3 LYS A 82 25.357 -88.664 -1.476 1.00 14.43 H new ATOM 0 HD2 LYS A 82 27.045 -86.707 -1.604 1.00 71.14 H new ATOM 0 HD3 LYS A 82 25.732 -85.746 -2.255 1.00 71.14 H new ATOM 0 HE2 LYS A 82 24.403 -86.052 -0.241 1.00 51.01 H new ATOM 0 HE3 LYS A 82 25.519 -87.249 0.384 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 25.857 -85.108 1.425 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 27.231 -85.539 0.525 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 26.149 -84.379 -0.081 1.00 4.33 H new ATOM 1218 N GLU A 83 26.998 -85.592 -4.639 1.00 45.34 N ATOM 1219 CA GLU A 83 27.257 -84.168 -4.434 1.00 53.14 C ATOM 1220 C GLU A 83 26.535 -83.305 -5.480 1.00 41.52 C ATOM 1221 O GLU A 83 25.922 -82.285 -5.142 1.00 1.31 O ATOM 1222 CB GLU A 83 28.766 -83.906 -4.463 1.00 53.44 C ATOM 1223 CG GLU A 83 29.470 -84.571 -5.637 1.00 34.25 C ATOM 1224 CD GLU A 83 30.910 -84.116 -5.807 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.138 -82.897 -5.949 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.817 -84.972 -5.817 1.00 25.22 O ATOM 0 H GLU A 83 27.837 -86.153 -4.788 1.00 45.34 H new ATOM 0 HA GLU A 83 26.864 -83.887 -3.457 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.940 -82.831 -4.505 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.208 -84.264 -3.533 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.451 -85.652 -5.499 1.00 34.25 H new ATOM 0 HG3 GLU A 83 28.918 -84.357 -6.552 1.00 34.25 H new ATOM 1233 N GLN A 84 26.586 -83.725 -6.744 1.00 71.32 N ATOM 1234 CA GLN A 84 25.946 -82.974 -7.826 1.00 73.41 C ATOM 1235 C GLN A 84 24.428 -83.148 -7.784 1.00 4.41 C ATOM 1236 O GLN A 84 23.682 -82.212 -8.072 1.00 35.12 O ATOM 1237 CB GLN A 84 26.508 -83.387 -9.199 1.00 70.43 C ATOM 1238 CG GLN A 84 27.748 -82.603 -9.626 1.00 43.51 C ATOM 1239 CD GLN A 84 28.928 -82.776 -8.686 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.759 -83.666 -8.872 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.016 -81.929 -7.671 1.00 5.13 N ATOM 0 H GLN A 84 27.061 -84.576 -7.044 1.00 71.32 H new ATOM 0 HA GLN A 84 26.172 -81.918 -7.678 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.753 -84.449 -9.175 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.731 -83.256 -9.952 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.042 -82.920 -10.627 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.495 -81.545 -9.688 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.309 -81.204 -7.549 1.00 5.13 H new ATOM 0 HE22 GLN A 84 29.791 -82.002 -7.012 1.00 5.13 H new ATOM 1250 N VAL A 85 23.973 -84.343 -7.419 1.00 33.13 N ATOM 1251 CA VAL A 85 22.545 -84.594 -7.235 1.00 22.34 C ATOM 1252 C VAL A 85 22.026 -83.741 -6.081 1.00 73.43 C ATOM 1253 O VAL A 85 20.896 -83.246 -6.106 1.00 53.31 O ATOM 1254 CB VAL A 85 22.260 -86.093 -6.958 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.775 -86.330 -6.668 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.728 -86.957 -8.133 1.00 25.24 C ATOM 0 H VAL A 85 24.570 -85.152 -7.245 1.00 33.13 H new ATOM 0 HA VAL A 85 22.029 -84.325 -8.157 1.00 22.34 H new ATOM 0 HB VAL A 85 22.823 -86.384 -6.071 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.606 -87.390 -6.478 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.479 -85.752 -5.792 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.182 -86.017 -7.527 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.519 -88.005 -7.920 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.198 -86.659 -9.038 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.800 -86.823 -8.279 1.00 25.24 H new ATOM 1266 N ASP A 86 22.887 -83.554 -5.085 1.00 15.30 N ATOM 1267 CA ASP A 86 22.599 -82.689 -3.945 1.00 63.23 C ATOM 1268 C ASP A 86 22.520 -81.236 -4.401 1.00 64.31 C ATOM 1269 O ASP A 86 21.668 -80.478 -3.941 1.00 72.04 O ATOM 1270 CB ASP A 86 23.682 -82.862 -2.869 1.00 35.40 C ATOM 1271 CG ASP A 86 23.624 -81.802 -1.780 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.782 -81.912 -0.865 1.00 61.35 O ATOM 1273 OD2 ASP A 86 24.443 -80.858 -1.815 1.00 32.10 O ATOM 0 H ASP A 86 23.804 -83.998 -5.045 1.00 15.30 H new ATOM 0 HA ASP A 86 21.637 -82.969 -3.516 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.578 -83.847 -2.414 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.663 -82.832 -3.343 1.00 35.40 H new ATOM 1278 N ALA A 87 23.416 -80.855 -5.311 1.00 21.34 N ATOM 1279 CA ALA A 87 23.376 -79.527 -5.922 1.00 34.53 C ATOM 1280 C ALA A 87 22.045 -79.316 -6.645 1.00 20.20 C ATOM 1281 O ALA A 87 21.425 -78.250 -6.549 1.00 62.15 O ATOM 1282 CB ALA A 87 24.539 -79.359 -6.896 1.00 10.13 C ATOM 0 H ALA A 87 24.178 -81.447 -5.641 1.00 21.34 H new ATOM 0 HA ALA A 87 23.468 -78.778 -5.135 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.498 -78.366 -7.344 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.481 -79.477 -6.361 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.470 -80.114 -7.679 1.00 10.13 H new ATOM 1288 N PHE A 88 21.610 -80.355 -7.351 1.00 23.24 N ATOM 1289 CA PHE A 88 20.391 -80.300 -8.147 1.00 53.22 C ATOM 1290 C PHE A 88 19.166 -80.154 -7.243 1.00 41.43 C ATOM 1291 O PHE A 88 18.334 -79.269 -7.451 1.00 24.23 O ATOM 1292 CB PHE A 88 20.270 -81.565 -9.011 1.00 13.44 C ATOM 1293 CG PHE A 88 19.327 -81.419 -10.180 1.00 60.45 C ATOM 1294 CD1 PHE A 88 19.780 -80.898 -11.383 1.00 2.04 C ATOM 1295 CD2 PHE A 88 17.996 -81.802 -10.082 1.00 41.43 C ATOM 1296 CE1 PHE A 88 18.931 -80.758 -12.461 1.00 65.45 C ATOM 1297 CE2 PHE A 88 17.139 -81.664 -11.160 1.00 43.45 C ATOM 1298 CZ PHE A 88 17.608 -81.142 -12.351 1.00 72.11 C ATOM 0 H PHE A 88 22.091 -81.254 -7.387 1.00 23.24 H new ATOM 0 HA PHE A 88 20.440 -79.429 -8.801 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.258 -81.834 -9.385 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.931 -82.390 -8.384 1.00 13.44 H new ATOM 0 HD1 PHE A 88 20.813 -80.597 -11.477 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.625 -82.212 -9.154 1.00 41.43 H new ATOM 0 HE1 PHE A 88 19.300 -80.349 -13.390 1.00 65.45 H new ATOM 0 HE2 PHE A 88 16.105 -81.964 -11.071 1.00 43.45 H new ATOM 0 HZ PHE A 88 16.942 -81.034 -13.194 1.00 72.11 H new ATOM 1308 N VAL A 89 19.064 -81.014 -6.230 1.00 5.13 N ATOM 1309 CA VAL A 89 17.945 -80.958 -5.288 1.00 63.22 C ATOM 1310 C VAL A 89 17.966 -79.629 -4.529 1.00 22.42 C ATOM 1311 O VAL A 89 16.918 -79.057 -4.213 1.00 63.11 O ATOM 1312 CB VAL A 89 17.952 -82.148 -4.287 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.081 -82.024 -3.267 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.596 -82.281 -3.591 1.00 71.34 C ATOM 0 H VAL A 89 19.739 -81.755 -6.040 1.00 5.13 H new ATOM 0 HA VAL A 89 17.027 -81.034 -5.870 1.00 63.22 H new ATOM 0 HB VAL A 89 18.133 -83.057 -4.861 1.00 62.24 H new ATOM 0 HG11 VAL A 89 19.051 -82.875 -2.586 1.00 41.30 H new ATOM 0 HG12 VAL A 89 20.040 -82.008 -3.786 1.00 41.30 H new ATOM 0 HG13 VAL A 89 18.959 -81.101 -2.700 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.625 -83.120 -2.896 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.376 -81.364 -3.044 1.00 71.34 H new ATOM 0 HG23 VAL A 89 15.820 -82.454 -4.336 1.00 71.34 H new ATOM 1324 N LYS A 90 19.177 -79.143 -4.253 1.00 72.24 N ATOM 1325 CA LYS A 90 19.368 -77.865 -3.577 1.00 63.21 C ATOM 1326 C LYS A 90 18.745 -76.748 -4.413 1.00 31.12 C ATOM 1327 O LYS A 90 18.026 -75.891 -3.895 1.00 14.12 O ATOM 1328 CB LYS A 90 20.871 -77.606 -3.366 1.00 12.24 C ATOM 1329 CG LYS A 90 21.205 -76.792 -2.121 1.00 73.32 C ATOM 1330 CD LYS A 90 20.765 -77.504 -0.839 1.00 40.24 C ATOM 1331 CE LYS A 90 21.332 -78.920 -0.735 1.00 1.53 C ATOM 1332 NZ LYS A 90 22.818 -78.938 -0.748 1.00 60.33 N ATOM 0 H LYS A 90 20.045 -79.622 -4.491 1.00 72.24 H new ATOM 0 HA LYS A 90 18.880 -77.891 -2.603 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.387 -78.564 -3.307 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.263 -77.086 -4.240 1.00 12.24 H new ATOM 0 HG2 LYS A 90 22.279 -76.609 -2.084 1.00 73.32 H new ATOM 0 HG3 LYS A 90 20.717 -75.819 -2.182 1.00 73.32 H new ATOM 0 HD2 LYS A 90 21.086 -76.922 0.025 1.00 40.24 H new ATOM 0 HD3 LYS A 90 19.676 -77.548 -0.806 1.00 40.24 H new ATOM 0 HE2 LYS A 90 20.974 -79.385 0.183 1.00 1.53 H new ATOM 0 HE3 LYS A 90 20.957 -79.520 -1.564 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 23.152 -79.363 -1.636 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 23.178 -77.965 -0.673 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 23.165 -79.499 0.056 1.00 60.33 H new ATOM 1346 N TYR A 91 19.021 -76.789 -5.715 1.00 10.11 N ATOM 1347 CA TYR A 91 18.437 -75.853 -6.669 1.00 12.44 C ATOM 1348 C TYR A 91 16.925 -76.056 -6.752 1.00 44.40 C ATOM 1349 O TYR A 91 16.161 -75.095 -6.828 1.00 2.03 O ATOM 1350 CB TYR A 91 19.087 -76.045 -8.052 1.00 54.24 C ATOM 1351 CG TYR A 91 18.370 -75.334 -9.188 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.557 -73.976 -9.417 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.504 -76.028 -10.031 1.00 52.30 C ATOM 1354 CE1 TYR A 91 17.905 -73.331 -10.450 1.00 23.41 C ATOM 1355 CE2 TYR A 91 16.849 -75.390 -11.065 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.051 -74.042 -11.271 1.00 4.44 C ATOM 1357 OH TYR A 91 16.401 -73.403 -12.302 1.00 53.33 O ATOM 0 H TYR A 91 19.653 -77.470 -6.136 1.00 10.11 H new ATOM 0 HA TYR A 91 18.626 -74.834 -6.331 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.116 -75.688 -8.009 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.128 -77.111 -8.276 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.223 -73.416 -8.777 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.342 -77.084 -9.872 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.062 -72.275 -10.615 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.182 -75.944 -11.709 1.00 24.51 H new ATOM 0 HH TYR A 91 15.840 -74.046 -12.783 1.00 53.33 H new ATOM 1367 N LEU A 92 16.501 -77.315 -6.715 1.00 51.34 N ATOM 1368 CA LEU A 92 15.090 -77.664 -6.848 1.00 60.14 C ATOM 1369 C LEU A 92 14.276 -77.032 -5.718 1.00 5.34 C ATOM 1370 O LEU A 92 13.169 -76.541 -5.938 1.00 21.55 O ATOM 1371 CB LEU A 92 14.914 -79.191 -6.844 1.00 42.10 C ATOM 1372 CG LEU A 92 13.852 -79.744 -7.812 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.505 -79.048 -7.630 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.333 -79.635 -9.260 1.00 4.50 C ATOM 0 H LEU A 92 17.120 -78.117 -6.593 1.00 51.34 H new ATOM 0 HA LEU A 92 14.725 -77.275 -7.798 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.873 -79.649 -7.086 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.656 -79.506 -5.833 1.00 42.10 H new ATOM 0 HG LEU A 92 13.707 -80.798 -7.576 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.782 -79.466 -8.331 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.152 -79.200 -6.610 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.619 -77.981 -7.819 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.568 -80.031 -9.928 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.521 -78.589 -9.503 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.253 -80.207 -9.382 1.00 4.50 H new ATOM 1386 N HIS A 93 14.837 -77.041 -4.511 1.00 5.42 N ATOM 1387 CA HIS A 93 14.171 -76.440 -3.351 1.00 23.34 C ATOM 1388 C HIS A 93 13.917 -74.953 -3.594 1.00 11.23 C ATOM 1389 O HIS A 93 12.974 -74.368 -3.052 1.00 14.15 O ATOM 1390 CB HIS A 93 15.010 -76.609 -2.081 1.00 35.40 C ATOM 1391 CG HIS A 93 15.285 -78.030 -1.706 1.00 30.45 C ATOM 1392 ND1 HIS A 93 16.390 -78.404 -0.977 1.00 2.31 N ATOM 1393 CD2 HIS A 93 14.592 -79.168 -1.946 1.00 73.34 C ATOM 1394 CE1 HIS A 93 16.369 -79.707 -0.785 1.00 65.23 C ATOM 1395 NE2 HIS A 93 15.288 -80.196 -1.363 1.00 2.30 N ATOM 0 H HIS A 93 15.747 -77.455 -4.308 1.00 5.42 H new ATOM 0 HA HIS A 93 13.220 -76.955 -3.214 1.00 23.34 H new ATOM 0 HB2 HIS A 93 15.960 -76.092 -2.216 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.496 -76.121 -1.253 1.00 35.40 H new ATOM 0 HD2 HIS A 93 13.665 -79.251 -2.494 1.00 73.34 H new ATOM 0 HE1 HIS A 93 17.110 -80.278 -0.246 1.00 65.23 H new ATOM 0 HE2 HIS A 93 15.015 -81.179 -1.374 1.00 2.30 H new ATOM 1404 N LYS A 94 14.781 -74.351 -4.404 1.00 64.43 N ATOM 1405 CA LYS A 94 14.648 -72.951 -4.782 1.00 13.01 C ATOM 1406 C LYS A 94 13.669 -72.829 -5.944 1.00 4.10 C ATOM 1407 O LYS A 94 12.860 -71.898 -6.001 1.00 53.20 O ATOM 1408 CB LYS A 94 16.009 -72.388 -5.219 1.00 13.44 C ATOM 1409 CG LYS A 94 17.136 -72.611 -4.215 1.00 34.11 C ATOM 1410 CD LYS A 94 18.483 -72.152 -4.768 1.00 31.12 C ATOM 1411 CE LYS A 94 18.495 -70.660 -5.089 1.00 75.41 C ATOM 1412 NZ LYS A 94 18.313 -69.824 -3.872 1.00 1.31 N ATOM 0 H LYS A 94 15.589 -74.818 -4.815 1.00 64.43 H new ATOM 0 HA LYS A 94 14.282 -72.389 -3.923 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.289 -72.844 -6.168 1.00 13.44 H new ATOM 0 HB3 LYS A 94 15.905 -71.318 -5.398 1.00 13.44 H new ATOM 0 HG2 LYS A 94 16.916 -72.069 -3.295 1.00 34.11 H new ATOM 0 HG3 LYS A 94 17.190 -73.669 -3.957 1.00 34.11 H new ATOM 0 HD2 LYS A 94 19.266 -72.372 -4.042 1.00 31.12 H new ATOM 0 HD3 LYS A 94 18.716 -72.718 -5.670 1.00 31.12 H new ATOM 0 HE2 LYS A 94 19.439 -70.400 -5.569 1.00 75.41 H new ATOM 0 HE3 LYS A 94 17.702 -70.437 -5.803 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 18.446 -68.822 -4.116 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 17.354 -69.965 -3.495 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 19.012 -70.100 -3.153 1.00 1.31 H new ATOM 1426 N GLY A 95 13.736 -73.808 -6.846 1.00 31.54 N ATOM 1427 CA GLY A 95 13.040 -73.720 -8.114 1.00 21.24 C ATOM 1428 C GLY A 95 13.794 -72.813 -9.062 1.00 10.52 C ATOM 1429 O GLY A 95 14.970 -72.516 -8.829 1.00 3.03 O ATOM 0 H GLY A 95 14.267 -74.669 -6.715 1.00 31.54 H new ATOM 0 HA2 GLY A 95 12.940 -74.713 -8.552 1.00 21.24 H new ATOM 0 HA3 GLY A 95 12.031 -73.337 -7.958 1.00 21.24 H new ATOM 1433 N SER A 96 13.147 -72.374 -10.128 1.00 75.45 N ATOM 1434 CA SER A 96 13.736 -71.357 -10.980 1.00 64.44 C ATOM 1435 C SER A 96 13.712 -70.023 -10.228 1.00 73.22 C ATOM 1436 O SER A 96 12.708 -69.681 -9.608 1.00 41.20 O ATOM 1437 CB SER A 96 12.989 -71.270 -12.316 1.00 73.31 C ATOM 1438 OG SER A 96 13.098 -72.489 -13.037 1.00 75.44 O ATOM 0 H SER A 96 12.226 -72.701 -10.421 1.00 75.45 H new ATOM 0 HA SER A 96 14.769 -71.615 -11.215 1.00 64.44 H new ATOM 0 HB2 SER A 96 11.938 -71.042 -12.136 1.00 73.31 H new ATOM 0 HB3 SER A 96 13.395 -70.453 -12.912 1.00 73.31 H new ATOM 0 HG SER A 96 13.967 -72.525 -13.489 1.00 75.44 H new ATOM 1444 N PRO A 97 14.823 -69.265 -10.256 1.00 15.32 N ATOM 1445 CA PRO A 97 15.012 -68.075 -9.406 1.00 63.34 C ATOM 1446 C PRO A 97 13.834 -67.087 -9.418 1.00 3.15 C ATOM 1447 O PRO A 97 13.666 -66.316 -8.472 1.00 13.01 O ATOM 1448 CB PRO A 97 16.284 -67.411 -9.976 1.00 53.52 C ATOM 1449 CG PRO A 97 16.582 -68.134 -11.254 1.00 13.42 C ATOM 1450 CD PRO A 97 15.999 -69.507 -11.105 1.00 51.42 C ATOM 0 HA PRO A 97 15.089 -68.367 -8.359 1.00 63.34 H new ATOM 0 HB2 PRO A 97 16.123 -66.348 -10.156 1.00 53.52 H new ATOM 0 HB3 PRO A 97 17.116 -67.494 -9.276 1.00 53.52 H new ATOM 0 HG2 PRO A 97 16.143 -67.615 -12.106 1.00 13.42 H new ATOM 0 HG3 PRO A 97 17.656 -68.185 -11.431 1.00 13.42 H new ATOM 0 HD2 PRO A 97 15.722 -69.937 -12.068 1.00 51.42 H new ATOM 0 HD3 PRO A 97 16.701 -70.197 -10.638 1.00 51.42 H new ATOM 1458 N LYS A 98 13.018 -67.105 -10.472 1.00 53.54 N ATOM 1459 CA LYS A 98 11.923 -66.134 -10.605 1.00 24.34 C ATOM 1460 C LYS A 98 10.553 -66.812 -10.624 1.00 74.31 C ATOM 1461 O LYS A 98 9.536 -66.173 -10.905 1.00 21.32 O ATOM 1462 CB LYS A 98 12.114 -65.292 -11.870 1.00 51.22 C ATOM 1463 CG LYS A 98 13.431 -64.519 -11.901 1.00 43.41 C ATOM 1464 CD LYS A 98 13.593 -63.590 -10.693 1.00 31.02 C ATOM 1465 CE LYS A 98 12.478 -62.549 -10.607 1.00 2.21 C ATOM 1466 NZ LYS A 98 12.485 -61.622 -11.770 1.00 75.23 N ATOM 0 H LYS A 98 13.090 -67.772 -11.240 1.00 53.54 H new ATOM 0 HA LYS A 98 11.954 -65.485 -9.730 1.00 24.34 H new ATOM 0 HB2 LYS A 98 12.066 -65.945 -12.741 1.00 51.22 H new ATOM 0 HB3 LYS A 98 11.287 -64.587 -11.955 1.00 51.22 H new ATOM 0 HG2 LYS A 98 14.262 -65.224 -11.928 1.00 43.41 H new ATOM 0 HG3 LYS A 98 13.482 -63.931 -12.817 1.00 43.41 H new ATOM 0 HD2 LYS A 98 13.603 -64.184 -9.779 1.00 31.02 H new ATOM 0 HD3 LYS A 98 14.556 -63.083 -10.754 1.00 31.02 H new ATOM 0 HE2 LYS A 98 11.514 -63.055 -10.553 1.00 2.21 H new ATOM 0 HE3 LYS A 98 12.589 -61.976 -9.687 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 11.779 -60.873 -11.621 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 13.428 -61.195 -11.868 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 12.252 -62.149 -12.636 1.00 75.23 H new ATOM 1480 N SER A 99 10.530 -68.095 -10.315 1.00 22.33 N ATOM 1481 CA SER A 99 9.286 -68.853 -10.224 1.00 33.13 C ATOM 1482 C SER A 99 9.342 -69.830 -9.044 1.00 51.15 C ATOM 1483 O SER A 99 10.072 -70.821 -9.073 1.00 65.20 O ATOM 1484 CB SER A 99 9.018 -69.584 -11.544 1.00 24.15 C ATOM 1485 OG SER A 99 10.190 -70.214 -12.026 1.00 42.35 O ATOM 0 H SER A 99 11.367 -68.644 -10.120 1.00 22.33 H new ATOM 0 HA SER A 99 8.460 -68.165 -10.046 1.00 33.13 H new ATOM 0 HB2 SER A 99 8.235 -70.328 -11.398 1.00 24.15 H new ATOM 0 HB3 SER A 99 8.650 -68.876 -12.287 1.00 24.15 H new ATOM 0 HG SER A 99 10.599 -69.656 -12.720 1.00 42.35 H new ATOM 1491 N VAL A 100 8.569 -69.524 -8.003 1.00 74.22 N ATOM 1492 CA VAL A 100 8.581 -70.298 -6.763 1.00 45.42 C ATOM 1493 C VAL A 100 7.797 -71.604 -6.910 1.00 51.00 C ATOM 1494 O VAL A 100 6.717 -71.632 -7.511 1.00 74.34 O ATOM 1495 CB VAL A 100 7.994 -69.474 -5.587 1.00 21.34 C ATOM 1496 CG1 VAL A 100 8.022 -70.275 -4.287 1.00 13.01 C ATOM 1497 CG2 VAL A 100 8.749 -68.155 -5.428 1.00 20.43 C ATOM 0 H VAL A 100 7.920 -68.737 -7.995 1.00 74.22 H new ATOM 0 HA VAL A 100 9.622 -70.538 -6.547 1.00 45.42 H new ATOM 0 HB VAL A 100 6.953 -69.249 -5.818 1.00 21.34 H new ATOM 0 HG11 VAL A 100 7.605 -69.673 -3.480 1.00 13.01 H new ATOM 0 HG12 VAL A 100 7.430 -71.183 -4.406 1.00 13.01 H new ATOM 0 HG13 VAL A 100 9.051 -70.542 -4.046 1.00 13.01 H new ATOM 0 HG21 VAL A 100 8.324 -67.590 -4.599 1.00 20.43 H new ATOM 0 HG22 VAL A 100 9.800 -68.360 -5.226 1.00 20.43 H new ATOM 0 HG23 VAL A 100 8.662 -67.573 -6.346 1.00 20.43 H new ATOM 1507 N VAL A 101 8.347 -72.681 -6.350 1.00 73.33 N ATOM 1508 CA VAL A 101 7.702 -73.989 -6.371 1.00 33.12 C ATOM 1509 C VAL A 101 6.824 -74.180 -5.132 1.00 14.21 C ATOM 1510 O VAL A 101 7.138 -73.676 -4.050 1.00 71.23 O ATOM 1511 CB VAL A 101 8.746 -75.133 -6.454 1.00 1.53 C ATOM 1512 CG1 VAL A 101 9.555 -75.031 -7.747 1.00 0.11 C ATOM 1513 CG2 VAL A 101 9.667 -75.128 -5.234 1.00 23.20 C ATOM 0 H VAL A 101 9.248 -72.670 -5.872 1.00 73.33 H new ATOM 0 HA VAL A 101 7.075 -74.029 -7.262 1.00 33.12 H new ATOM 0 HB VAL A 101 8.208 -76.081 -6.461 1.00 1.53 H new ATOM 0 HG11 VAL A 101 10.282 -75.842 -7.786 1.00 0.11 H new ATOM 0 HG12 VAL A 101 8.884 -75.103 -8.603 1.00 0.11 H new ATOM 0 HG13 VAL A 101 10.077 -74.075 -7.775 1.00 0.11 H new ATOM 0 HG21 VAL A 101 10.388 -75.941 -5.319 1.00 23.20 H new ATOM 0 HG22 VAL A 101 10.196 -74.177 -5.182 1.00 23.20 H new ATOM 0 HG23 VAL A 101 9.074 -75.263 -4.330 1.00 23.20 H new ATOM 1523 N LYS A 102 5.720 -74.898 -5.310 1.00 25.24 N ATOM 1524 CA LYS A 102 4.769 -75.166 -4.235 1.00 22.23 C ATOM 1525 C LYS A 102 5.347 -76.192 -3.257 1.00 52.51 C ATOM 1526 O LYS A 102 5.407 -75.950 -2.050 1.00 64.20 O ATOM 1527 CB LYS A 102 3.451 -75.674 -4.842 1.00 14.41 C ATOM 1528 CG LYS A 102 2.348 -75.964 -3.828 1.00 2.24 C ATOM 1529 CD LYS A 102 1.120 -76.573 -4.505 1.00 35.55 C ATOM 1530 CE LYS A 102 -0.021 -76.802 -3.525 1.00 34.44 C ATOM 1531 NZ LYS A 102 -1.181 -77.474 -4.172 1.00 11.03 N ATOM 0 H LYS A 102 5.458 -75.312 -6.205 1.00 25.24 H new ATOM 0 HA LYS A 102 4.576 -74.247 -3.681 1.00 22.23 H new ATOM 0 HB2 LYS A 102 3.086 -74.933 -5.553 1.00 14.41 H new ATOM 0 HB3 LYS A 102 3.654 -76.584 -5.406 1.00 14.41 H new ATOM 0 HG2 LYS A 102 2.722 -76.647 -3.065 1.00 2.24 H new ATOM 0 HG3 LYS A 102 2.066 -75.042 -3.320 1.00 2.24 H new ATOM 0 HD2 LYS A 102 0.783 -75.913 -5.305 1.00 35.55 H new ATOM 0 HD3 LYS A 102 1.395 -77.521 -4.968 1.00 35.55 H new ATOM 0 HE2 LYS A 102 0.332 -77.410 -2.692 1.00 34.44 H new ATOM 0 HE3 LYS A 102 -0.340 -75.846 -3.110 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -1.937 -77.612 -3.471 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -1.535 -76.883 -4.951 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -0.883 -78.397 -4.546 1.00 11.03 H new ATOM 1545 N LYS A 103 5.783 -77.331 -3.794 1.00 12.03 N ATOM 1546 CA LYS A 103 6.380 -78.398 -2.987 1.00 72.44 C ATOM 1547 C LYS A 103 7.044 -79.438 -3.887 1.00 14.24 C ATOM 1548 O LYS A 103 6.507 -79.787 -4.940 1.00 53.50 O ATOM 1549 CB LYS A 103 5.316 -79.074 -2.102 1.00 61.22 C ATOM 1550 CG LYS A 103 5.859 -80.229 -1.260 1.00 3.35 C ATOM 1551 CD LYS A 103 4.783 -80.853 -0.375 1.00 22.31 C ATOM 1552 CE LYS A 103 4.244 -79.863 0.652 1.00 15.43 C ATOM 1553 NZ LYS A 103 5.315 -79.350 1.550 1.00 35.52 N ATOM 0 H LYS A 103 5.734 -77.541 -4.791 1.00 12.03 H new ATOM 0 HA LYS A 103 7.137 -77.951 -2.342 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.880 -78.327 -1.439 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.511 -79.446 -2.737 1.00 61.22 H new ATOM 0 HG2 LYS A 103 6.274 -80.993 -1.918 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.676 -79.868 -0.636 1.00 3.35 H new ATOM 0 HD2 LYS A 103 3.964 -81.211 -0.998 1.00 22.31 H new ATOM 0 HD3 LYS A 103 5.195 -81.721 0.140 1.00 22.31 H new ATOM 0 HE2 LYS A 103 3.772 -79.027 0.136 1.00 15.43 H new ATOM 0 HE3 LYS A 103 3.471 -80.346 1.249 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 4.884 -78.861 2.360 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 5.891 -80.145 1.892 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 5.919 -78.685 1.026 1.00 35.52 H new ATOM 1567 N VAL A 104 8.208 -79.933 -3.468 1.00 20.25 N ATOM 1568 CA VAL A 104 8.954 -80.921 -4.246 1.00 63.52 C ATOM 1569 C VAL A 104 8.704 -82.337 -3.714 1.00 23.40 C ATOM 1570 O VAL A 104 8.454 -82.530 -2.520 1.00 41.12 O ATOM 1571 CB VAL A 104 10.477 -80.606 -4.239 1.00 12.25 C ATOM 1572 CG1 VAL A 104 11.067 -80.752 -2.838 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.226 -81.483 -5.245 1.00 13.11 C ATOM 0 H VAL A 104 8.656 -79.665 -2.592 1.00 20.25 H new ATOM 0 HA VAL A 104 8.598 -80.868 -5.275 1.00 63.52 H new ATOM 0 HB VAL A 104 10.600 -79.567 -4.544 1.00 12.25 H new ATOM 0 HG11 VAL A 104 12.133 -80.525 -2.867 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.567 -80.061 -2.159 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.923 -81.774 -2.487 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.288 -81.241 -5.218 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.086 -82.533 -4.987 1.00 13.11 H new ATOM 0 HG23 VAL A 104 10.837 -81.301 -6.247 1.00 13.11 H new ATOM 1583 N SER A 105 8.744 -83.314 -4.614 1.00 70.15 N ATOM 1584 CA SER A 105 8.568 -84.721 -4.270 1.00 14.10 C ATOM 1585 C SER A 105 9.626 -85.556 -4.996 1.00 74.04 C ATOM 1586 O SER A 105 9.853 -85.368 -6.194 1.00 24.02 O ATOM 1587 CB SER A 105 7.151 -85.175 -4.657 1.00 4.52 C ATOM 1588 OG SER A 105 6.167 -84.384 -4.003 1.00 72.03 O ATOM 0 H SER A 105 8.900 -83.151 -5.609 1.00 70.15 H new ATOM 0 HA SER A 105 8.691 -84.859 -3.196 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.024 -85.101 -5.737 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.016 -86.223 -4.391 1.00 4.52 H new ATOM 0 HG SER A 105 5.274 -84.690 -4.266 1.00 72.03 H new ATOM 1594 N ILE A 106 10.285 -86.461 -4.273 1.00 60.24 N ATOM 1595 CA ILE A 106 11.417 -87.215 -4.820 1.00 10.30 C ATOM 1596 C ILE A 106 11.194 -88.724 -4.671 1.00 61.14 C ATOM 1597 O ILE A 106 10.480 -89.168 -3.769 1.00 52.41 O ATOM 1598 CB ILE A 106 12.745 -86.831 -4.107 1.00 72.12 C ATOM 1599 CG1 ILE A 106 12.900 -85.303 -4.000 1.00 61.14 C ATOM 1600 CG2 ILE A 106 13.938 -87.427 -4.852 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.023 -84.598 -5.335 1.00 61.02 C ATOM 0 H ILE A 106 10.056 -86.691 -3.306 1.00 60.24 H new ATOM 0 HA ILE A 106 11.490 -86.961 -5.877 1.00 10.30 H new ATOM 0 HB ILE A 106 12.713 -87.240 -3.097 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.041 -84.898 -3.465 1.00 61.14 H new ATOM 0 HG13 ILE A 106 13.783 -85.079 -3.401 1.00 61.14 H new ATOM 0 HG21 ILE A 106 14.861 -87.150 -4.342 1.00 61.45 H new ATOM 0 HG22 ILE A 106 13.847 -88.513 -4.874 1.00 61.45 H new ATOM 0 HG23 ILE A 106 13.958 -87.044 -5.872 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.128 -83.525 -5.172 1.00 61.02 H new ATOM 0 HD12 ILE A 106 13.899 -84.972 -5.865 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.130 -84.788 -5.931 1.00 61.02 H new ATOM 1613 N HIS A 107 11.807 -89.510 -5.558 1.00 62.33 N ATOM 1614 CA HIS A 107 11.733 -90.969 -5.494 1.00 42.21 C ATOM 1615 C HIS A 107 13.129 -91.584 -5.653 1.00 3.14 C ATOM 1616 O HIS A 107 14.007 -91.000 -6.291 1.00 44.31 O ATOM 1617 CB HIS A 107 10.768 -91.518 -6.558 1.00 1.15 C ATOM 1618 CG HIS A 107 9.336 -91.110 -6.349 1.00 52.33 C ATOM 1619 ND1 HIS A 107 8.539 -90.605 -7.353 1.00 63.51 N ATOM 1620 CD2 HIS A 107 8.557 -91.140 -5.241 1.00 51.43 C ATOM 1621 CE1 HIS A 107 7.340 -90.340 -6.872 1.00 61.40 C ATOM 1622 NE2 HIS A 107 7.322 -90.657 -5.592 1.00 21.31 N ATOM 0 H HIS A 107 12.365 -89.156 -6.335 1.00 62.33 H new ATOM 0 HA HIS A 107 11.344 -91.249 -4.515 1.00 42.21 H new ATOM 0 HB2 HIS A 107 11.093 -91.176 -7.541 1.00 1.15 H new ATOM 0 HB3 HIS A 107 10.829 -92.606 -6.563 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.854 -91.482 -4.261 1.00 51.43 H new ATOM 0 HE1 HIS A 107 6.512 -89.932 -7.432 1.00 61.40 H new ATOM 0 HE2 HIS A 107 6.522 -90.559 -4.967 1.00 21.31 H new ATOM 1631 N ALA A 108 13.294 -92.781 -5.099 1.00 62.21 N ATOM 1632 CA ALA A 108 14.603 -93.422 -4.898 1.00 71.54 C ATOM 1633 C ALA A 108 15.128 -94.163 -6.136 1.00 51.20 C ATOM 1634 O ALA A 108 16.157 -94.835 -6.055 1.00 13.21 O ATOM 1635 CB ALA A 108 14.540 -94.370 -3.706 1.00 1.01 C ATOM 0 H ALA A 108 12.513 -93.348 -4.769 1.00 62.21 H new ATOM 0 HA ALA A 108 15.312 -92.617 -4.704 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.513 -94.841 -3.564 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.273 -93.810 -2.810 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.789 -95.138 -3.891 1.00 1.01 H new ATOM 1641 N SER A 109 14.435 -94.053 -7.267 1.00 22.12 N ATOM 1642 CA SER A 109 14.702 -94.920 -8.419 1.00 13.31 C ATOM 1643 C SER A 109 16.140 -94.775 -8.924 1.00 70.35 C ATOM 1644 O SER A 109 16.673 -93.670 -9.019 1.00 20.01 O ATOM 1645 CB SER A 109 13.736 -94.571 -9.551 1.00 75.32 C ATOM 1646 OG SER A 109 12.389 -94.788 -9.155 1.00 74.32 O ATOM 0 H SER A 109 13.686 -93.376 -7.413 1.00 22.12 H new ATOM 0 HA SER A 109 14.561 -95.952 -8.098 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.870 -93.529 -9.840 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.963 -95.177 -10.428 1.00 75.32 H new ATOM 0 HG SER A 109 11.789 -94.556 -9.895 1.00 74.32 H new ATOM 1652 N SER A 110 16.740 -95.922 -9.245 1.00 53.15 N ATOM 1653 CA SER A 110 18.157 -96.012 -9.584 1.00 44.34 C ATOM 1654 C SER A 110 18.425 -95.594 -11.033 1.00 21.33 C ATOM 1655 O SER A 110 17.505 -95.252 -11.778 1.00 40.12 O ATOM 1656 CB SER A 110 18.661 -97.440 -9.333 1.00 20.12 C ATOM 1657 OG SER A 110 20.059 -97.549 -9.553 1.00 61.20 O ATOM 0 H SER A 110 16.253 -96.818 -9.277 1.00 53.15 H new ATOM 0 HA SER A 110 18.701 -95.318 -8.943 1.00 44.34 H new ATOM 0 HB2 SER A 110 18.430 -97.733 -8.309 1.00 20.12 H new ATOM 0 HB3 SER A 110 18.134 -98.133 -9.989 1.00 20.12 H new ATOM 0 HG SER A 110 20.526 -96.855 -9.042 1.00 61.20 H new ATOM 1663 N ARG A 111 19.707 -95.626 -11.404 1.00 10.21 N ATOM 1664 CA ARG A 111 20.195 -95.124 -12.691 1.00 70.34 C ATOM 1665 C ARG A 111 19.403 -95.684 -13.875 1.00 33.55 C ATOM 1666 O ARG A 111 19.018 -96.857 -13.898 1.00 43.23 O ATOM 1667 CB ARG A 111 21.700 -95.440 -12.821 1.00 25.13 C ATOM 1668 CG ARG A 111 22.363 -94.983 -14.125 1.00 15.51 C ATOM 1669 CD ARG A 111 22.239 -96.025 -15.235 1.00 32.52 C ATOM 1670 NE ARG A 111 22.635 -97.360 -14.774 1.00 21.10 N ATOM 1671 CZ ARG A 111 22.204 -98.499 -15.316 1.00 63.31 C ATOM 1672 NH1 ARG A 111 21.426 -98.476 -16.389 1.00 42.52 N ATOM 1673 NH2 ARG A 111 22.567 -99.657 -14.788 1.00 12.12 N ATOM 0 H ARG A 111 20.445 -96.006 -10.811 1.00 10.21 H new ATOM 0 HA ARG A 111 20.048 -94.044 -12.715 1.00 70.34 H new ATOM 0 HB2 ARG A 111 22.224 -94.975 -11.986 1.00 25.13 H new ATOM 0 HB3 ARG A 111 21.836 -96.517 -12.723 1.00 25.13 H new ATOM 0 HG2 ARG A 111 21.907 -94.049 -14.454 1.00 15.51 H new ATOM 0 HG3 ARG A 111 23.417 -94.775 -13.941 1.00 15.51 H new ATOM 0 HD2 ARG A 111 21.210 -96.054 -15.593 1.00 32.52 H new ATOM 0 HD3 ARG A 111 22.862 -95.732 -16.080 1.00 32.52 H new ATOM 0 HE ARG A 111 23.282 -97.421 -13.988 1.00 21.10 H new ATOM 0 HH11 ARG A 111 21.155 -97.584 -16.803 1.00 42.52 H new ATOM 0 HH12 ARG A 111 21.099 -99.350 -16.800 1.00 42.52 H new ATOM 0 HH21 ARG A 111 23.175 -99.676 -13.969 1.00 12.12 H new ATOM 0 HH22 ARG A 111 22.239-100.531 -15.200 1.00 12.12 H new ATOM 1687 N VAL A 112 19.197 -94.820 -14.863 1.00 42.33 N ATOM 1688 CA VAL A 112 18.413 -95.119 -16.060 1.00 22.53 C ATOM 1689 C VAL A 112 19.086 -94.479 -17.274 1.00 21.24 C ATOM 1690 O VAL A 112 20.104 -93.810 -17.128 1.00 51.15 O ATOM 1691 CB VAL A 112 16.969 -94.571 -15.938 1.00 42.34 C ATOM 1692 CG1 VAL A 112 16.193 -95.296 -14.835 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.998 -93.062 -15.689 1.00 12.43 C ATOM 0 H VAL A 112 19.577 -93.873 -14.856 1.00 42.33 H new ATOM 0 HA VAL A 112 18.364 -96.202 -16.175 1.00 22.53 H new ATOM 0 HB VAL A 112 16.450 -94.757 -16.878 1.00 42.34 H new ATOM 0 HG11 VAL A 112 15.183 -94.890 -14.773 1.00 12.25 H new ATOM 0 HG12 VAL A 112 16.142 -96.360 -15.065 1.00 12.25 H new ATOM 0 HG13 VAL A 112 16.700 -95.155 -13.880 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.978 -92.687 -15.605 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.538 -92.856 -14.765 1.00 12.43 H new ATOM 0 HG23 VAL A 112 17.499 -92.566 -16.520 1.00 12.43 H new ATOM 1703 N ASP A 113 18.554 -94.708 -18.467 1.00 71.41 N ATOM 1704 CA ASP A 113 19.066 -94.028 -19.658 1.00 61.45 C ATOM 1705 C ASP A 113 18.469 -92.619 -19.743 1.00 54.52 C ATOM 1706 O ASP A 113 17.260 -92.436 -19.578 1.00 71.24 O ATOM 1707 CB ASP A 113 18.767 -94.831 -20.933 1.00 13.55 C ATOM 1708 CG ASP A 113 17.288 -94.876 -21.288 1.00 74.32 C ATOM 1709 OD1 ASP A 113 16.553 -95.691 -20.688 1.00 41.05 O ATOM 1710 OD2 ASP A 113 16.856 -94.108 -22.175 1.00 52.52 O ATOM 0 H ASP A 113 17.779 -95.349 -18.639 1.00 71.41 H new ATOM 0 HA ASP A 113 20.150 -93.949 -19.575 1.00 61.45 H new ATOM 0 HB2 ASP A 113 19.319 -94.395 -21.765 1.00 13.55 H new ATOM 0 HB3 ASP A 113 19.133 -95.850 -20.806 1.00 13.55 H new ATOM 1715 N ALA A 114 19.329 -91.632 -19.969 1.00 61.52 N ATOM 1716 CA ALA A 114 18.925 -90.225 -19.985 1.00 14.04 C ATOM 1717 C ALA A 114 18.255 -89.843 -21.302 1.00 42.21 C ATOM 1718 O ALA A 114 18.519 -90.446 -22.347 1.00 32.43 O ATOM 1719 CB ALA A 114 20.139 -89.336 -19.734 1.00 51.25 C ATOM 0 H ALA A 114 20.323 -91.780 -20.146 1.00 61.52 H new ATOM 0 HA ALA A 114 18.194 -90.077 -19.190 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.833 -88.290 -19.747 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.571 -89.576 -18.762 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.882 -89.506 -20.513 1.00 51.25 H new ATOM 1725 N ASP A 115 17.397 -88.827 -21.248 1.00 54.31 N ATOM 1726 CA ASP A 115 16.719 -88.311 -22.440 1.00 31.20 C ATOM 1727 C ASP A 115 17.042 -86.836 -22.632 1.00 74.33 C ATOM 1728 O ASP A 115 17.453 -86.414 -23.714 1.00 33.11 O ATOM 1729 CB ASP A 115 15.197 -88.499 -22.348 1.00 63.02 C ATOM 1730 CG ASP A 115 14.773 -89.954 -22.459 1.00 34.15 C ATOM 1731 OD1 ASP A 115 14.814 -90.505 -23.583 1.00 60.54 O ATOM 1732 OD2 ASP A 115 14.390 -90.553 -21.429 1.00 71.54 O ATOM 0 H ASP A 115 17.152 -88.340 -20.386 1.00 54.31 H new ATOM 0 HA ASP A 115 17.081 -88.878 -23.297 1.00 31.20 H new ATOM 0 HB2 ASP A 115 14.843 -88.094 -21.400 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.716 -87.924 -23.140 1.00 63.02 H new ATOM 1737 N GLY A 116 16.870 -86.057 -21.569 1.00 25.12 N ATOM 1738 CA GLY A 116 17.121 -84.627 -21.642 1.00 51.02 C ATOM 1739 C GLY A 116 16.198 -83.814 -20.748 1.00 52.42 C ATOM 1740 O GLY A 116 15.068 -84.220 -20.455 1.00 24.24 O ATOM 0 H GLY A 116 16.561 -86.390 -20.656 1.00 25.12 H new ATOM 0 HA2 GLY A 116 18.156 -84.431 -21.361 1.00 51.02 H new ATOM 0 HA3 GLY A 116 17.003 -84.295 -22.674 1.00 51.02 H new ATOM 1744 N PHE A 117 16.684 -82.665 -20.301 1.00 5.24 N ATOM 1745 CA PHE A 117 15.902 -81.774 -19.454 1.00 2.31 C ATOM 1746 C PHE A 117 15.199 -80.730 -20.319 1.00 32.41 C ATOM 1747 O PHE A 117 15.859 -79.879 -20.923 1.00 0.02 O ATOM 1748 CB PHE A 117 16.823 -81.073 -18.438 1.00 64.33 C ATOM 1749 CG PHE A 117 17.685 -82.017 -17.629 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.809 -82.609 -18.191 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.377 -82.306 -16.308 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.600 -83.467 -17.453 1.00 24.34 C ATOM 1753 CE2 PHE A 117 18.164 -83.164 -15.566 1.00 3.23 C ATOM 1754 CZ PHE A 117 19.279 -83.744 -16.138 1.00 43.44 C ATOM 0 H PHE A 117 17.622 -82.326 -20.512 1.00 5.24 H new ATOM 0 HA PHE A 117 15.156 -82.357 -18.914 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.469 -80.375 -18.971 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.211 -80.483 -17.756 1.00 64.33 H new ATOM 0 HD1 PHE A 117 19.067 -82.396 -19.218 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.509 -81.853 -15.853 1.00 54.12 H new ATOM 0 HE1 PHE A 117 20.470 -83.922 -17.904 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.908 -83.381 -14.540 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.899 -84.413 -15.559 1.00 43.44 H new ATOM 1764 N GLU A 118 13.870 -80.796 -20.395 1.00 33.04 N ATOM 1765 CA GLU A 118 13.106 -79.835 -21.184 1.00 23.02 C ATOM 1766 C GLU A 118 11.640 -79.854 -20.779 1.00 63.02 C ATOM 1767 O GLU A 118 11.022 -80.911 -20.688 1.00 13.12 O ATOM 1768 CB GLU A 118 13.256 -80.122 -22.683 1.00 70.42 C ATOM 1769 CG GLU A 118 12.854 -81.534 -23.091 1.00 51.04 C ATOM 1770 CD GLU A 118 13.004 -81.773 -24.582 1.00 53.34 C ATOM 1771 OE1 GLU A 118 12.121 -81.342 -25.350 1.00 62.15 O ATOM 1772 OE2 GLU A 118 13.998 -82.404 -24.997 1.00 71.34 O ATOM 0 H GLU A 118 13.304 -81.501 -19.922 1.00 33.04 H new ATOM 0 HA GLU A 118 13.503 -78.839 -20.986 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.650 -79.408 -23.241 1.00 70.42 H new ATOM 0 HB3 GLU A 118 14.293 -79.954 -22.972 1.00 70.42 H new ATOM 0 HG2 GLU A 118 13.466 -82.254 -22.548 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.819 -81.712 -22.800 1.00 51.04 H new ATOM 1779 N ILE A 119 11.084 -78.678 -20.541 1.00 14.51 N ATOM 1780 CA ILE A 119 9.710 -78.569 -20.079 1.00 51.30 C ATOM 1781 C ILE A 119 8.735 -79.007 -21.179 1.00 62.21 C ATOM 1782 O ILE A 119 8.284 -78.201 -21.997 1.00 44.42 O ATOM 1783 CB ILE A 119 9.401 -77.126 -19.599 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.464 -76.673 -18.580 1.00 24.02 C ATOM 1785 CG2 ILE A 119 8.004 -77.036 -18.982 1.00 53.12 C ATOM 1786 CD1 ILE A 119 10.622 -77.613 -17.399 1.00 71.13 C ATOM 0 H ILE A 119 11.563 -77.785 -20.660 1.00 14.51 H new ATOM 0 HA ILE A 119 9.580 -79.237 -19.227 1.00 51.30 H new ATOM 0 HB ILE A 119 9.429 -76.465 -20.465 1.00 2.53 H new ATOM 0 HG12 ILE A 119 11.424 -76.579 -19.088 1.00 24.02 H new ATOM 0 HG13 ILE A 119 10.200 -75.682 -18.211 1.00 24.02 H new ATOM 0 HG21 ILE A 119 7.816 -76.013 -18.655 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.259 -77.322 -19.725 1.00 53.12 H new ATOM 0 HG23 ILE A 119 7.940 -77.708 -18.126 1.00 53.12 H new ATOM 0 HD11 ILE A 119 11.388 -77.227 -16.726 1.00 71.13 H new ATOM 0 HD12 ILE A 119 9.675 -77.689 -16.865 1.00 71.13 H new ATOM 0 HD13 ILE A 119 10.917 -78.600 -17.756 1.00 71.13 H new ATOM 1798 N ARG A 120 8.477 -80.312 -21.223 1.00 2.03 N ATOM 1799 CA ARG A 120 7.521 -80.904 -22.155 1.00 61.44 C ATOM 1800 C ARG A 120 6.143 -80.951 -21.534 1.00 32.31 C ATOM 1801 O ARG A 120 6.004 -81.156 -20.333 1.00 1.25 O ATOM 1802 CB ARG A 120 7.956 -82.317 -22.549 1.00 4.12 C ATOM 1803 CG ARG A 120 9.049 -82.341 -23.597 1.00 2.23 C ATOM 1804 CD ARG A 120 9.462 -83.768 -23.940 1.00 30.01 C ATOM 1805 NE ARG A 120 10.757 -83.816 -24.620 1.00 3.51 N ATOM 1806 CZ ARG A 120 11.517 -84.911 -24.710 1.00 12.41 C ATOM 1807 NH1 ARG A 120 11.075 -86.075 -24.255 1.00 3.32 N ATOM 1808 NH2 ARG A 120 12.724 -84.840 -25.256 1.00 2.32 N ATOM 0 H ARG A 120 8.927 -80.992 -20.610 1.00 2.03 H new ATOM 0 HA ARG A 120 7.490 -80.283 -23.050 1.00 61.44 H new ATOM 0 HB2 ARG A 120 8.304 -82.843 -21.660 1.00 4.12 H new ATOM 0 HB3 ARG A 120 7.091 -82.864 -22.925 1.00 4.12 H new ATOM 0 HG2 ARG A 120 8.702 -81.835 -24.498 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.915 -81.788 -23.234 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.510 -84.361 -23.027 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.702 -84.223 -24.575 1.00 30.01 H new ATOM 0 HE ARG A 120 11.101 -82.959 -25.053 1.00 3.51 H new ATOM 0 HH11 ARG A 120 10.149 -86.139 -23.833 1.00 3.32 H new ATOM 0 HH12 ARG A 120 11.661 -86.907 -24.327 1.00 3.32 H new ATOM 0 HH21 ARG A 120 13.073 -83.948 -25.608 1.00 2.32 H new ATOM 0 HH22 ARG A 120 13.303 -85.677 -25.324 1.00 2.32 H new ATOM 1822 N ARG A 121 5.129 -80.753 -22.348 1.00 14.01 N ATOM 1823 CA ARG A 121 3.753 -80.755 -21.861 1.00 75.33 C ATOM 1824 C ARG A 121 2.928 -81.746 -22.674 1.00 64.21 C ATOM 1825 O ARG A 121 2.545 -81.409 -23.811 1.00 51.44 O ATOM 1826 CB ARG A 121 3.146 -79.342 -21.932 1.00 72.42 C ATOM 1827 CG ARG A 121 4.032 -78.266 -21.309 1.00 14.51 C ATOM 1828 CD ARG A 121 3.335 -76.911 -21.224 1.00 12.45 C ATOM 1829 NE ARG A 121 2.371 -76.848 -20.123 1.00 4.53 N ATOM 1830 CZ ARG A 121 1.631 -75.774 -19.839 1.00 42.14 C ATOM 1831 NH1 ARG A 121 1.687 -74.695 -20.615 1.00 1.44 N ATOM 1832 NH2 ARG A 121 0.828 -75.775 -18.783 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.701 -82.872 -22.190 1.00 0.00 O ATOM 0 H ARG A 121 5.224 -80.588 -23.350 1.00 14.01 H new ATOM 0 HA ARG A 121 3.745 -81.063 -20.815 1.00 75.33 H new ATOM 0 HB2 ARG A 121 2.959 -79.088 -22.975 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.181 -79.344 -21.426 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.331 -78.580 -20.309 1.00 14.51 H new ATOM 0 HG3 ARG A 121 4.944 -78.165 -21.897 1.00 14.51 H new ATOM 0 HD2 ARG A 121 4.082 -76.128 -21.094 1.00 12.45 H new ATOM 0 HD3 ARG A 121 2.822 -76.709 -22.164 1.00 12.45 H new ATOM 0 HE ARG A 121 2.258 -77.676 -19.537 1.00 4.53 H new ATOM 0 HH11 ARG A 121 2.298 -74.685 -21.432 1.00 1.44 H new ATOM 0 HH12 ARG A 121 1.119 -73.877 -20.393 1.00 1.44 H new ATOM 0 HH21 ARG A 121 0.774 -76.599 -18.184 1.00 65.01 H new ATOM 0 HH22 ARG A 121 0.264 -74.952 -18.570 1.00 65.01 H new