USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 449 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 56 GLN : amide:sc= -0.477 X(o=-1.3,f=-1.2) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.846 K(o=-1.3,f=-0.6) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.4) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0923 USER MOD Single : A 69 ASN : amide:sc= 0.745 K(o=0.75,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -148:sc= -0.895 USER MOD Single : A 81 ASN : amide:sc= -0.247 K(o=-0.25,f=-10!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.517 K(o=-0.52,f=-8.8!) USER MOD Single : A 93 GLN : amide:sc= -1.93! K(o=-1.9!,f=0) USER MOD Single : A 95 GLN : amide:sc= -2.47! C(o=-2.5!,f=-8.5!) USER MOD Single : A 97 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -134:sc= 1.15 (180deg=-1.29) USER MOD Single : A 103 THR OG1 : rot -5:sc= 0.405 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0389 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 44.486 57.261 -24.105 1.00 65.21 N ATOM 660 CA GLU A 46 45.065 57.642 -22.818 1.00 41.54 C ATOM 661 C GLU A 46 46.398 58.372 -22.987 1.00 5.12 C ATOM 662 O GLU A 46 47.070 58.686 -22.004 1.00 43.23 O ATOM 663 CB GLU A 46 45.246 56.414 -21.927 1.00 55.55 C ATOM 664 CG GLU A 46 43.953 55.947 -21.283 1.00 14.53 C ATOM 665 CD GLU A 46 43.334 57.023 -20.418 1.00 0.14 C ATOM 666 OE1 GLU A 46 43.764 57.177 -19.257 1.00 65.32 O ATOM 667 OE2 GLU A 46 42.431 57.736 -20.903 1.00 5.55 O1- ATOM 0 HA GLU A 46 44.368 58.330 -22.340 1.00 41.54 H new ATOM 0 HB2 GLU A 46 45.663 55.601 -22.521 1.00 55.55 H new ATOM 0 HB3 GLU A 46 45.971 56.643 -21.146 1.00 55.55 H new ATOM 0 HG2 GLU A 46 43.246 55.653 -22.059 1.00 14.53 H new ATOM 0 HG3 GLU A 46 44.148 55.062 -20.678 1.00 14.53 H new ATOM 674 N THR A 47 46.780 58.627 -24.229 1.00 53.34 N ATOM 675 CA THR A 47 47.946 59.444 -24.519 1.00 11.21 C ATOM 676 C THR A 47 47.632 60.399 -25.675 1.00 2.33 C ATOM 677 O THR A 47 48.045 60.195 -26.819 1.00 31.14 O ATOM 678 CB THR A 47 49.203 58.581 -24.819 1.00 14.13 C ATOM 679 OG1 THR A 47 50.296 59.408 -25.245 1.00 60.32 O ATOM 680 CG2 THR A 47 48.920 57.514 -25.872 1.00 31.14 C ATOM 0 H THR A 47 46.296 58.277 -25.056 1.00 53.34 H new ATOM 0 HA THR A 47 48.182 60.031 -23.631 1.00 11.21 H new ATOM 0 HB THR A 47 49.475 58.076 -23.892 1.00 14.13 H new ATOM 0 HG1 THR A 47 51.079 58.847 -25.428 1.00 60.32 H new ATOM 0 HG21 THR A 47 49.824 56.933 -26.053 1.00 31.14 H new ATOM 0 HG22 THR A 47 48.129 56.854 -25.517 1.00 31.14 H new ATOM 0 HG23 THR A 47 48.605 57.992 -26.799 1.00 31.14 H new ATOM 688 N PRO A 48 46.849 61.449 -25.387 1.00 63.35 N ATOM 689 CA PRO A 48 46.387 62.385 -26.390 1.00 21.13 C ATOM 690 C PRO A 48 47.342 63.559 -26.587 1.00 23.22 C ATOM 691 O PRO A 48 47.361 64.507 -25.800 1.00 30.10 O ATOM 692 CB PRO A 48 45.047 62.856 -25.826 1.00 72.10 C ATOM 693 CG PRO A 48 45.136 62.664 -24.340 1.00 2.42 C ATOM 694 CD PRO A 48 46.349 61.808 -24.054 1.00 3.12 C ATOM 0 HA PRO A 48 46.315 61.929 -27.377 1.00 21.13 H new ATOM 0 HB2 PRO A 48 44.864 63.901 -26.075 1.00 72.10 H new ATOM 0 HB3 PRO A 48 44.222 62.280 -26.246 1.00 72.10 H new ATOM 0 HG2 PRO A 48 45.221 63.626 -23.835 1.00 2.42 H new ATOM 0 HG3 PRO A 48 44.233 62.184 -23.962 1.00 2.42 H new ATOM 0 HD2 PRO A 48 47.097 62.354 -23.480 1.00 3.12 H new ATOM 0 HD3 PRO A 48 46.086 60.923 -23.474 1.00 3.12 H new ATOM 702 N SER A 49 48.153 63.473 -27.624 1.00 1.52 N ATOM 703 CA SER A 49 49.028 64.570 -28.006 1.00 71.45 C ATOM 704 C SER A 49 48.861 64.869 -29.490 1.00 5.40 C ATOM 705 O SER A 49 48.410 65.949 -29.870 1.00 55.33 O ATOM 706 CB SER A 49 50.485 64.231 -27.680 1.00 4.01 C ATOM 707 OG SER A 49 50.638 63.920 -26.305 1.00 52.25 O ATOM 0 H SER A 49 48.226 62.650 -28.222 1.00 1.52 H new ATOM 0 HA SER A 49 48.754 65.459 -27.437 1.00 71.45 H new ATOM 0 HB2 SER A 49 50.810 63.385 -28.286 1.00 4.01 H new ATOM 0 HB3 SER A 49 51.125 65.074 -27.939 1.00 4.01 H new ATOM 0 HG SER A 49 51.576 63.705 -26.121 1.00 52.25 H new ATOM 713 N ALA A 50 49.195 63.891 -30.327 1.00 4.34 N ATOM 714 CA ALA A 50 49.045 64.036 -31.766 1.00 71.23 C ATOM 715 C ALA A 50 47.626 63.684 -32.182 1.00 52.43 C ATOM 716 O ALA A 50 46.998 64.395 -32.968 1.00 63.35 O ATOM 717 CB ALA A 50 50.050 63.160 -32.498 1.00 52.42 C ATOM 0 H ALA A 50 49.571 62.990 -30.030 1.00 4.34 H new ATOM 0 HA ALA A 50 49.239 65.074 -32.035 1.00 71.23 H new ATOM 0 HB1 ALA A 50 49.923 63.281 -33.574 1.00 52.42 H new ATOM 0 HB2 ALA A 50 51.061 63.453 -32.217 1.00 52.42 H new ATOM 0 HB3 ALA A 50 49.887 62.116 -32.229 1.00 52.42 H new ATOM 723 N LEU A 51 47.110 62.595 -31.620 1.00 14.24 N ATOM 724 CA LEU A 51 45.756 62.155 -31.920 1.00 65.24 C ATOM 725 C LEU A 51 44.734 63.036 -31.206 1.00 54.11 C ATOM 726 O LEU A 51 43.539 62.974 -31.495 1.00 73.42 O ATOM 727 CB LEU A 51 45.572 60.671 -31.554 1.00 34.13 C ATOM 728 CG LEU A 51 45.967 60.263 -30.128 1.00 14.14 C ATOM 729 CD1 LEU A 51 44.872 60.607 -29.128 1.00 42.24 C ATOM 730 CD2 LEU A 51 46.285 58.776 -30.079 1.00 32.32 C ATOM 0 H LEU A 51 47.610 62.004 -30.956 1.00 14.24 H new ATOM 0 HA LEU A 51 45.589 62.254 -32.993 1.00 65.24 H new ATOM 0 HB2 LEU A 51 44.525 60.410 -31.706 1.00 34.13 H new ATOM 0 HB3 LEU A 51 46.155 60.072 -32.254 1.00 34.13 H new ATOM 0 HG LEU A 51 46.858 60.826 -29.850 1.00 14.14 H new ATOM 0 HD11 LEU A 51 45.184 60.305 -28.128 1.00 42.24 H new ATOM 0 HD12 LEU A 51 44.691 61.682 -29.142 1.00 42.24 H new ATOM 0 HD13 LEU A 51 43.956 60.081 -29.396 1.00 42.24 H new ATOM 0 HD21 LEU A 51 46.564 58.497 -29.063 1.00 32.32 H new ATOM 0 HD22 LEU A 51 45.407 58.206 -30.384 1.00 32.32 H new ATOM 0 HD23 LEU A 51 47.112 58.558 -30.755 1.00 32.32 H new ATOM 742 N ASP A 52 45.221 63.866 -30.285 1.00 2.23 N ATOM 743 CA ASP A 52 44.365 64.791 -29.546 1.00 12.25 C ATOM 744 C ASP A 52 43.712 65.780 -30.493 1.00 34.31 C ATOM 745 O ASP A 52 42.499 65.958 -30.478 1.00 33.15 O ATOM 746 CB ASP A 52 45.165 65.549 -28.484 1.00 5.20 C ATOM 747 CG ASP A 52 44.321 66.565 -27.731 1.00 62.52 C ATOM 748 OD1 ASP A 52 44.408 67.772 -28.047 1.00 12.41 O ATOM 749 OD2 ASP A 52 43.574 66.162 -26.818 1.00 63.02 O1- ATOM 0 H ASP A 52 46.208 63.916 -30.032 1.00 2.23 H new ATOM 0 HA ASP A 52 43.592 64.205 -29.049 1.00 12.25 H new ATOM 0 HB2 ASP A 52 45.587 64.837 -27.775 1.00 5.20 H new ATOM 0 HB3 ASP A 52 46.002 66.059 -28.960 1.00 5.20 H new ATOM 754 N ASN A 53 44.525 66.404 -31.335 1.00 61.25 N ATOM 755 CA ASN A 53 44.021 67.357 -32.315 1.00 42.12 C ATOM 756 C ASN A 53 43.092 66.673 -33.311 1.00 63.01 C ATOM 757 O ASN A 53 42.128 67.276 -33.791 1.00 23.25 O ATOM 758 CB ASN A 53 45.179 68.028 -33.055 1.00 44.53 C ATOM 759 CG ASN A 53 45.859 69.098 -32.223 1.00 73.01 C ATOM 760 OD1 ASN A 53 46.775 68.817 -31.452 1.00 72.42 O ATOM 761 ND2 ASN A 53 45.420 70.338 -32.383 1.00 31.23 N ATOM 0 H ASN A 53 45.536 66.268 -31.359 1.00 61.25 H new ATOM 0 HA ASN A 53 43.454 68.120 -31.781 1.00 42.12 H new ATOM 0 HB2 ASN A 53 45.912 67.272 -33.338 1.00 44.53 H new ATOM 0 HB3 ASN A 53 44.807 68.472 -33.978 1.00 44.53 H new ATOM 0 HD21 ASN A 53 45.845 71.101 -31.856 1.00 31.23 H new ATOM 0 HD22 ASN A 53 44.657 70.529 -33.033 1.00 31.23 H new ATOM 768 N PHE A 54 43.375 65.409 -33.598 1.00 22.14 N ATOM 769 CA PHE A 54 42.576 64.635 -34.536 1.00 43.23 C ATOM 770 C PHE A 54 41.186 64.375 -33.957 1.00 0.30 C ATOM 771 O PHE A 54 40.176 64.730 -34.562 1.00 51.31 O ATOM 772 CB PHE A 54 43.279 63.314 -34.863 1.00 64.13 C ATOM 773 CG PHE A 54 42.651 62.554 -35.997 1.00 32.43 C ATOM 774 CD1 PHE A 54 42.880 62.936 -37.309 1.00 20.25 C ATOM 775 CD2 PHE A 54 41.838 61.461 -35.754 1.00 52.44 C ATOM 776 CE1 PHE A 54 42.309 62.241 -38.357 1.00 74.25 C ATOM 777 CE2 PHE A 54 41.263 60.761 -36.798 1.00 41.13 C ATOM 778 CZ PHE A 54 41.499 61.153 -38.102 1.00 1.54 C ATOM 0 H PHE A 54 44.157 64.896 -33.191 1.00 22.14 H new ATOM 0 HA PHE A 54 42.464 65.205 -35.458 1.00 43.23 H new ATOM 0 HB2 PHE A 54 44.321 63.520 -35.109 1.00 64.13 H new ATOM 0 HB3 PHE A 54 43.280 62.684 -33.973 1.00 64.13 H new ATOM 0 HD1 PHE A 54 43.512 63.787 -37.515 1.00 20.25 H new ATOM 0 HD2 PHE A 54 41.650 61.151 -34.737 1.00 52.44 H new ATOM 0 HE1 PHE A 54 42.496 62.549 -39.375 1.00 74.25 H new ATOM 0 HE2 PHE A 54 40.631 59.909 -36.595 1.00 41.13 H new ATOM 0 HZ PHE A 54 41.050 60.609 -38.920 1.00 1.54 H new ATOM 788 N THR A 55 41.140 63.785 -32.762 1.00 75.41 N ATOM 789 CA THR A 55 39.869 63.485 -32.105 1.00 62.12 C ATOM 790 C THR A 55 39.158 64.779 -31.694 1.00 21.25 C ATOM 791 O THR A 55 37.945 64.800 -31.473 1.00 1.24 O ATOM 792 CB THR A 55 40.070 62.567 -30.868 1.00 4.21 C ATOM 793 OG1 THR A 55 38.804 62.138 -30.343 1.00 21.43 O ATOM 794 CG2 THR A 55 40.853 63.276 -29.771 1.00 4.31 C ATOM 0 H THR A 55 41.965 63.507 -32.231 1.00 75.41 H new ATOM 0 HA THR A 55 39.246 62.951 -32.822 1.00 62.12 H new ATOM 0 HB THR A 55 40.639 61.699 -31.200 1.00 4.21 H new ATOM 0 HG1 THR A 55 38.951 61.560 -29.566 1.00 21.43 H new ATOM 0 HG21 THR A 55 40.976 62.606 -28.920 1.00 4.31 H new ATOM 0 HG22 THR A 55 41.833 63.563 -30.151 1.00 4.31 H new ATOM 0 HG23 THR A 55 40.311 64.167 -29.455 1.00 4.31 H new ATOM 802 N GLN A 56 39.924 65.860 -31.619 1.00 32.54 N ATOM 803 CA GLN A 56 39.391 67.170 -31.284 1.00 40.22 C ATOM 804 C GLN A 56 38.485 67.650 -32.409 1.00 42.31 C ATOM 805 O GLN A 56 37.405 68.187 -32.172 1.00 33.50 O ATOM 806 CB GLN A 56 40.538 68.160 -31.069 1.00 24.31 C ATOM 807 CG GLN A 56 40.237 69.251 -30.056 1.00 3.12 C ATOM 808 CD GLN A 56 39.908 68.699 -28.684 1.00 23.51 C ATOM 809 OE1 GLN A 56 38.743 68.488 -28.346 1.00 22.43 O ATOM 810 NE2 GLN A 56 40.937 68.435 -27.897 1.00 51.20 N ATOM 0 H GLN A 56 40.930 65.851 -31.789 1.00 32.54 H new ATOM 0 HA GLN A 56 38.812 67.102 -30.363 1.00 40.22 H new ATOM 0 HB2 GLN A 56 41.421 67.610 -30.743 1.00 24.31 H new ATOM 0 HB3 GLN A 56 40.786 68.624 -32.023 1.00 24.31 H new ATOM 0 HG2 GLN A 56 41.096 69.917 -29.979 1.00 3.12 H new ATOM 0 HG3 GLN A 56 39.400 69.851 -30.412 1.00 3.12 H new ATOM 0 HE21 GLN A 56 41.886 68.626 -28.218 1.00 51.20 H new ATOM 0 HE22 GLN A 56 40.782 68.041 -26.969 1.00 51.20 H new ATOM 819 N ALA A 57 38.926 67.412 -33.640 1.00 43.12 N ATOM 820 CA ALA A 57 38.166 67.801 -34.818 1.00 74.22 C ATOM 821 C ALA A 57 36.968 66.881 -35.017 1.00 13.44 C ATOM 822 O ALA A 57 35.940 67.290 -35.561 1.00 44.41 O ATOM 823 CB ALA A 57 39.058 67.788 -36.048 1.00 32.32 C ATOM 0 H ALA A 57 39.811 66.949 -33.846 1.00 43.12 H new ATOM 0 HA ALA A 57 37.794 68.814 -34.668 1.00 74.22 H new ATOM 0 HB1 ALA A 57 38.477 68.081 -36.922 1.00 32.32 H new ATOM 0 HB2 ALA A 57 39.881 68.489 -35.908 1.00 32.32 H new ATOM 0 HB3 ALA A 57 39.457 66.785 -36.197 1.00 32.32 H new ATOM 829 N ILE A 58 37.103 65.637 -34.573 1.00 52.41 N ATOM 830 CA ILE A 58 36.023 64.664 -34.677 1.00 43.42 C ATOM 831 C ILE A 58 34.824 65.103 -33.841 1.00 42.32 C ATOM 832 O ILE A 58 33.676 64.913 -34.230 1.00 2.22 O ATOM 833 CB ILE A 58 36.470 63.254 -34.231 1.00 4.31 C ATOM 834 CG1 ILE A 58 37.742 62.841 -34.982 1.00 33.32 C ATOM 835 CG2 ILE A 58 35.356 62.244 -34.472 1.00 22.11 C ATOM 836 CD1 ILE A 58 38.172 61.414 -34.715 1.00 75.03 C ATOM 0 H ILE A 58 37.952 65.278 -34.136 1.00 52.41 H new ATOM 0 HA ILE A 58 35.740 64.615 -35.728 1.00 43.42 H new ATOM 0 HB ILE A 58 36.688 63.277 -33.163 1.00 4.31 H new ATOM 0 HG12 ILE A 58 37.578 62.967 -36.052 1.00 33.32 H new ATOM 0 HG13 ILE A 58 38.553 63.514 -34.702 1.00 33.32 H new ATOM 0 HG21 ILE A 58 35.686 61.255 -34.153 1.00 22.11 H new ATOM 0 HG22 ILE A 58 34.473 62.533 -33.902 1.00 22.11 H new ATOM 0 HG23 ILE A 58 35.111 62.219 -35.534 1.00 22.11 H new ATOM 0 HD11 ILE A 58 39.078 61.195 -35.280 1.00 75.03 H new ATOM 0 HD12 ILE A 58 38.369 61.286 -33.651 1.00 75.03 H new ATOM 0 HD13 ILE A 58 37.379 60.732 -35.022 1.00 75.03 H new ATOM 848 N GLN A 59 35.101 65.722 -32.705 1.00 20.32 N ATOM 849 CA GLN A 59 34.048 66.200 -31.818 1.00 43.14 C ATOM 850 C GLN A 59 33.256 67.340 -32.461 1.00 30.01 C ATOM 851 O GLN A 59 32.111 67.599 -32.091 1.00 22.32 O ATOM 852 CB GLN A 59 34.658 66.655 -30.494 1.00 0.24 C ATOM 853 CG GLN A 59 35.191 65.507 -29.652 1.00 33.03 C ATOM 854 CD GLN A 59 36.062 65.980 -28.507 1.00 32.54 C ATOM 855 OE1 GLN A 59 35.577 66.275 -27.418 1.00 24.13 O ATOM 856 NE2 GLN A 59 37.362 66.033 -28.746 1.00 51.23 N ATOM 0 H GLN A 59 36.048 65.906 -32.373 1.00 20.32 H new ATOM 0 HA GLN A 59 33.355 65.380 -31.632 1.00 43.14 H new ATOM 0 HB2 GLN A 59 35.469 67.355 -30.697 1.00 0.24 H new ATOM 0 HB3 GLN A 59 33.905 67.197 -29.922 1.00 0.24 H new ATOM 0 HG2 GLN A 59 34.354 64.934 -29.254 1.00 33.03 H new ATOM 0 HG3 GLN A 59 35.766 64.832 -30.286 1.00 33.03 H new ATOM 0 HE21 GLN A 59 37.722 65.779 -29.666 1.00 51.23 H new ATOM 0 HE22 GLN A 59 38.004 66.328 -28.010 1.00 51.23 H new ATOM 865 N SER A 60 33.873 68.003 -33.429 1.00 51.04 N ATOM 866 CA SER A 60 33.251 69.117 -34.130 1.00 11.41 C ATOM 867 C SER A 60 32.398 68.624 -35.297 1.00 54.31 C ATOM 868 O SER A 60 31.393 69.243 -35.650 1.00 71.15 O ATOM 869 CB SER A 60 34.331 70.067 -34.655 1.00 73.34 C ATOM 870 OG SER A 60 35.344 70.271 -33.686 1.00 3.51 O ATOM 0 H SER A 60 34.816 67.784 -33.750 1.00 51.04 H new ATOM 0 HA SER A 60 32.605 69.643 -33.427 1.00 11.41 H new ATOM 0 HB2 SER A 60 34.770 69.657 -35.564 1.00 73.34 H new ATOM 0 HB3 SER A 60 33.881 71.023 -34.922 1.00 73.34 H new ATOM 0 HG SER A 60 36.023 70.880 -34.045 1.00 3.51 H new ATOM 876 N GLN A 61 32.786 67.497 -35.886 1.00 30.10 N ATOM 877 CA GLN A 61 32.091 66.975 -37.059 1.00 24.42 C ATOM 878 C GLN A 61 30.858 66.174 -36.655 1.00 14.32 C ATOM 879 O GLN A 61 30.102 65.707 -37.508 1.00 1.12 O ATOM 880 CB GLN A 61 33.031 66.111 -37.906 1.00 64.21 C ATOM 881 CG GLN A 61 33.484 64.831 -37.218 1.00 32.32 C ATOM 882 CD GLN A 61 34.438 64.003 -38.064 1.00 64.01 C ATOM 883 OE1 GLN A 61 34.475 62.778 -37.955 1.00 52.54 O ATOM 884 NE2 GLN A 61 35.220 64.664 -38.905 1.00 61.52 N ATOM 0 H GLN A 61 33.574 66.930 -35.573 1.00 30.10 H new ATOM 0 HA GLN A 61 31.765 67.825 -37.658 1.00 24.42 H new ATOM 0 HB2 GLN A 61 32.529 65.852 -38.838 1.00 64.21 H new ATOM 0 HB3 GLN A 61 33.909 66.700 -38.170 1.00 64.21 H new ATOM 0 HG2 GLN A 61 33.970 65.085 -36.276 1.00 32.32 H new ATOM 0 HG3 GLN A 61 32.609 64.229 -36.973 1.00 32.32 H new ATOM 0 HE21 GLN A 61 35.159 65.680 -38.966 1.00 61.52 H new ATOM 0 HE22 GLN A 61 35.883 64.156 -39.491 1.00 61.52 H new ATOM 893 N ILE A 62 30.653 66.020 -35.356 1.00 25.21 N ATOM 894 CA ILE A 62 29.500 65.291 -34.848 1.00 60.23 C ATOM 895 C ILE A 62 28.239 66.132 -34.987 1.00 4.22 C ATOM 896 O ILE A 62 27.171 65.619 -35.318 1.00 73.53 O ATOM 897 CB ILE A 62 29.691 64.886 -33.367 1.00 31.41 C ATOM 898 CG1 ILE A 62 30.909 63.972 -33.213 1.00 75.12 C ATOM 899 CG2 ILE A 62 28.446 64.199 -32.821 1.00 11.33 C ATOM 900 CD1 ILE A 62 30.828 62.695 -34.027 1.00 54.33 C ATOM 0 H ILE A 62 31.270 66.390 -34.633 1.00 25.21 H new ATOM 0 HA ILE A 62 29.400 64.382 -35.441 1.00 60.23 H new ATOM 0 HB ILE A 62 29.859 65.796 -32.791 1.00 31.41 H new ATOM 0 HG12 ILE A 62 31.803 64.522 -33.507 1.00 75.12 H new ATOM 0 HG13 ILE A 62 31.026 63.713 -32.161 1.00 75.12 H new ATOM 0 HG21 ILE A 62 28.609 63.926 -31.779 1.00 11.33 H new ATOM 0 HG22 ILE A 62 27.596 64.878 -32.889 1.00 11.33 H new ATOM 0 HG23 ILE A 62 28.241 63.301 -33.404 1.00 11.33 H new ATOM 0 HD11 ILE A 62 31.728 62.102 -33.864 1.00 54.33 H new ATOM 0 HD12 ILE A 62 29.954 62.121 -33.718 1.00 54.33 H new ATOM 0 HD13 ILE A 62 30.744 62.943 -35.085 1.00 54.33 H new ATOM 912 N LEU A 63 28.379 67.432 -34.762 1.00 64.35 N ATOM 913 CA LEU A 63 27.233 68.334 -34.773 1.00 53.53 C ATOM 914 C LEU A 63 26.620 68.415 -36.170 1.00 34.31 C ATOM 915 O LEU A 63 25.400 68.405 -36.327 1.00 74.53 O ATOM 916 CB LEU A 63 27.633 69.738 -34.297 1.00 24.15 C ATOM 917 CG LEU A 63 28.292 69.833 -32.910 1.00 14.34 C ATOM 918 CD1 LEU A 63 27.716 68.809 -31.942 1.00 52.54 C ATOM 919 CD2 LEU A 63 29.800 69.680 -33.009 1.00 61.01 C ATOM 0 H LEU A 63 29.272 67.885 -34.570 1.00 64.35 H new ATOM 0 HA LEU A 63 26.489 67.932 -34.085 1.00 53.53 H new ATOM 0 HB2 LEU A 63 28.318 70.164 -35.030 1.00 24.15 H new ATOM 0 HB3 LEU A 63 26.741 70.364 -34.294 1.00 24.15 H new ATOM 0 HG LEU A 63 28.071 70.825 -32.517 1.00 14.34 H new ATOM 0 HD11 LEU A 63 28.207 68.907 -30.974 1.00 52.54 H new ATOM 0 HD12 LEU A 63 26.646 68.980 -31.826 1.00 52.54 H new ATOM 0 HD13 LEU A 63 27.883 67.805 -32.333 1.00 52.54 H new ATOM 0 HD21 LEU A 63 30.239 69.751 -32.014 1.00 61.01 H new ATOM 0 HD22 LEU A 63 30.040 68.709 -33.443 1.00 61.01 H new ATOM 0 HD23 LEU A 63 30.205 70.470 -33.642 1.00 61.01 H new ATOM 931 N GLY A 64 27.473 68.486 -37.184 1.00 54.14 N ATOM 932 CA GLY A 64 26.992 68.559 -38.551 1.00 43.53 C ATOM 933 C GLY A 64 26.540 67.210 -39.076 1.00 42.50 C ATOM 934 O GLY A 64 25.733 67.133 -40.002 1.00 45.41 O ATOM 0 H GLY A 64 28.488 68.494 -37.085 1.00 54.14 H new ATOM 0 HA2 GLY A 64 26.162 69.264 -38.604 1.00 43.53 H new ATOM 0 HA3 GLY A 64 27.783 68.949 -39.192 1.00 43.53 H new ATOM 938 N GLY A 65 27.047 66.142 -38.467 1.00 25.24 N ATOM 939 CA GLY A 65 26.708 64.798 -38.907 1.00 5.50 C ATOM 940 C GLY A 65 25.330 64.368 -38.444 1.00 33.53 C ATOM 941 O GLY A 65 24.834 63.313 -38.832 1.00 11.34 O ATOM 0 H GLY A 65 27.688 66.183 -37.675 1.00 25.24 H new ATOM 0 HA2 GLY A 65 26.753 64.753 -39.995 1.00 5.50 H new ATOM 0 HA3 GLY A 65 27.451 64.096 -38.528 1.00 5.50 H new ATOM 945 N LEU A 66 24.708 65.191 -37.611 1.00 53.33 N ATOM 946 CA LEU A 66 23.384 64.887 -37.090 1.00 72.23 C ATOM 947 C LEU A 66 22.328 64.992 -38.185 1.00 34.12 C ATOM 948 O LEU A 66 21.336 64.274 -38.160 1.00 33.03 O ATOM 949 CB LEU A 66 23.037 65.826 -35.932 1.00 31.31 C ATOM 950 CG LEU A 66 23.952 65.721 -34.709 1.00 64.21 C ATOM 951 CD1 LEU A 66 23.540 66.732 -33.651 1.00 22.03 C ATOM 952 CD2 LEU A 66 23.922 64.311 -34.137 1.00 65.03 C ATOM 0 H LEU A 66 25.099 66.074 -37.282 1.00 53.33 H new ATOM 0 HA LEU A 66 23.395 63.861 -36.722 1.00 72.23 H new ATOM 0 HB2 LEU A 66 23.063 66.852 -36.298 1.00 31.31 H new ATOM 0 HB3 LEU A 66 22.013 65.625 -35.617 1.00 31.31 H new ATOM 0 HG LEU A 66 24.972 65.942 -35.022 1.00 64.21 H new ATOM 0 HD11 LEU A 66 24.200 66.645 -32.788 1.00 22.03 H new ATOM 0 HD12 LEU A 66 23.612 67.739 -34.062 1.00 22.03 H new ATOM 0 HD13 LEU A 66 22.513 66.538 -33.343 1.00 22.03 H new ATOM 0 HD21 LEU A 66 24.579 64.257 -33.269 1.00 65.03 H new ATOM 0 HD22 LEU A 66 22.904 64.061 -33.838 1.00 65.03 H new ATOM 0 HD23 LEU A 66 24.262 63.604 -34.894 1.00 65.03 H new ATOM 964 N LEU A 67 22.575 65.862 -39.161 1.00 53.21 N ATOM 965 CA LEU A 67 21.607 66.143 -40.225 1.00 64.45 C ATOM 966 C LEU A 67 21.156 64.870 -40.939 1.00 60.43 C ATOM 967 O LEU A 67 19.959 64.649 -41.146 1.00 44.24 O ATOM 968 CB LEU A 67 22.214 67.112 -41.239 1.00 51.43 C ATOM 969 CG LEU A 67 22.645 68.462 -40.667 1.00 3.00 C ATOM 970 CD1 LEU A 67 23.287 69.310 -41.751 1.00 70.32 C ATOM 971 CD2 LEU A 67 21.451 69.184 -40.060 1.00 22.21 C ATOM 0 H LEU A 67 23.444 66.390 -39.239 1.00 53.21 H new ATOM 0 HA LEU A 67 20.730 66.593 -39.759 1.00 64.45 H new ATOM 0 HB2 LEU A 67 23.080 66.637 -41.699 1.00 51.43 H new ATOM 0 HB3 LEU A 67 21.487 67.286 -42.032 1.00 51.43 H new ATOM 0 HG LEU A 67 23.380 68.291 -39.880 1.00 3.00 H new ATOM 0 HD11 LEU A 67 23.590 70.269 -41.331 1.00 70.32 H new ATOM 0 HD12 LEU A 67 24.162 68.794 -42.146 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.570 69.476 -42.555 1.00 70.32 H new ATOM 0 HD21 LEU A 67 21.773 70.144 -39.656 1.00 22.21 H new ATOM 0 HD22 LEU A 67 20.696 69.348 -40.829 1.00 22.21 H new ATOM 0 HD23 LEU A 67 21.028 68.578 -39.259 1.00 22.21 H new ATOM 983 N SER A 68 22.115 64.029 -41.298 1.00 40.32 N ATOM 984 CA SER A 68 21.831 62.797 -42.017 1.00 11.31 C ATOM 985 C SER A 68 21.133 61.780 -41.118 1.00 75.02 C ATOM 986 O SER A 68 20.437 60.888 -41.598 1.00 75.11 O ATOM 987 CB SER A 68 23.135 62.228 -42.584 1.00 0.14 C ATOM 988 OG SER A 68 24.234 62.557 -41.745 1.00 4.11 O ATOM 0 H SER A 68 23.104 64.180 -41.101 1.00 40.32 H new ATOM 0 HA SER A 68 21.151 63.017 -42.840 1.00 11.31 H new ATOM 0 HB2 SER A 68 23.054 61.145 -42.678 1.00 0.14 H new ATOM 0 HB3 SER A 68 23.305 62.623 -43.586 1.00 0.14 H new ATOM 0 HG SER A 68 25.057 62.183 -42.123 1.00 4.11 H new ATOM 994 N ASN A 69 21.294 61.942 -39.812 1.00 22.22 N ATOM 995 CA ASN A 69 20.705 61.019 -38.852 1.00 3.21 C ATOM 996 C ASN A 69 19.350 61.523 -38.369 1.00 33.23 C ATOM 997 O ASN A 69 18.631 60.819 -37.666 1.00 41.32 O ATOM 998 CB ASN A 69 21.642 60.802 -37.661 1.00 53.44 C ATOM 999 CG ASN A 69 22.863 59.978 -38.022 1.00 25.14 C ATOM 1000 OD1 ASN A 69 22.847 58.751 -37.929 1.00 41.35 O ATOM 1001 ND2 ASN A 69 23.934 60.641 -38.431 1.00 2.13 N ATOM 0 H ASN A 69 21.827 62.704 -39.393 1.00 22.22 H new ATOM 0 HA ASN A 69 20.557 60.065 -39.357 1.00 3.21 H new ATOM 0 HB2 ASN A 69 21.962 61.770 -37.275 1.00 53.44 H new ATOM 0 HB3 ASN A 69 21.096 60.304 -36.860 1.00 53.44 H new ATOM 0 HD21 ASN A 69 24.783 60.134 -38.681 1.00 2.13 H new ATOM 0 HD22 ASN A 69 23.910 61.659 -38.496 1.00 2.13 H new ATOM 1008 N ILE A 70 19.007 62.746 -38.747 1.00 71.41 N ATOM 1009 CA ILE A 70 17.713 63.323 -38.400 1.00 54.25 C ATOM 1010 C ILE A 70 16.634 62.823 -39.358 1.00 15.54 C ATOM 1011 O ILE A 70 15.460 62.744 -38.997 1.00 23.53 O ATOM 1012 CB ILE A 70 17.759 64.875 -38.423 1.00 3.10 C ATOM 1013 CG1 ILE A 70 18.669 65.403 -37.306 1.00 23.53 C ATOM 1014 CG2 ILE A 70 16.364 65.477 -38.297 1.00 12.32 C ATOM 1015 CD1 ILE A 70 18.252 64.958 -35.920 1.00 42.43 C ATOM 0 H ILE A 70 19.608 63.361 -39.296 1.00 71.41 H new ATOM 0 HA ILE A 70 17.471 63.004 -37.386 1.00 54.25 H new ATOM 0 HB ILE A 70 18.169 65.179 -39.386 1.00 3.10 H new ATOM 0 HG12 ILE A 70 19.690 65.070 -37.493 1.00 23.53 H new ATOM 0 HG13 ILE A 70 18.678 66.492 -37.341 1.00 23.53 H new ATOM 0 HG21 ILE A 70 16.434 66.565 -38.317 1.00 12.32 H new ATOM 0 HG22 ILE A 70 15.745 65.138 -39.128 1.00 12.32 H new ATOM 0 HG23 ILE A 70 15.914 65.159 -37.356 1.00 12.32 H new ATOM 0 HD11 ILE A 70 18.941 65.370 -35.183 1.00 42.43 H new ATOM 0 HD12 ILE A 70 17.243 65.314 -35.712 1.00 42.43 H new ATOM 0 HD13 ILE A 70 18.271 63.869 -35.866 1.00 42.43 H new ATOM 1129 N MET A 78 17.952 44.270 -41.525 1.00 12.00 N ATOM 1130 CA MET A 78 18.133 42.827 -41.624 1.00 2.03 C ATOM 1131 C MET A 78 18.930 42.293 -40.440 1.00 70.13 C ATOM 1132 O MET A 78 20.080 42.673 -40.228 1.00 44.34 O ATOM 1133 CB MET A 78 18.836 42.463 -42.935 1.00 63.14 C ATOM 1134 CG MET A 78 19.066 40.970 -43.110 1.00 52.15 C ATOM 1135 SD MET A 78 19.915 40.569 -44.650 1.00 73.31 S ATOM 1136 CE MET A 78 20.070 38.792 -44.488 1.00 35.54 C ATOM 0 HA MET A 78 17.146 42.365 -41.611 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.241 42.831 -43.771 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.796 42.977 -42.977 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.651 40.596 -42.270 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.106 40.454 -43.084 1.00 52.15 H new ATOM 0 HE1 MET A 78 20.577 38.390 -45.365 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.649 38.557 -43.595 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.079 38.346 -44.406 1.00 35.54 H new ATOM 1146 N VAL A 79 18.312 41.408 -39.674 1.00 63.22 N ATOM 1147 CA VAL A 79 18.964 40.805 -38.523 1.00 53.31 C ATOM 1148 C VAL A 79 19.849 39.646 -38.968 1.00 34.33 C ATOM 1149 O VAL A 79 19.354 38.591 -39.364 1.00 23.05 O ATOM 1150 CB VAL A 79 17.935 40.303 -37.489 1.00 51.15 C ATOM 1151 CG1 VAL A 79 18.635 39.754 -36.255 1.00 62.34 C ATOM 1152 CG2 VAL A 79 16.960 41.413 -37.114 1.00 20.14 C ATOM 0 H VAL A 79 17.355 41.090 -39.830 1.00 63.22 H new ATOM 0 HA VAL A 79 19.576 41.573 -38.050 1.00 53.31 H new ATOM 0 HB VAL A 79 17.364 39.492 -37.942 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.891 39.406 -35.539 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.279 38.923 -36.542 1.00 62.34 H new ATOM 0 HG13 VAL A 79 19.237 40.540 -35.799 1.00 62.34 H new ATOM 0 HG21 VAL A 79 16.244 41.037 -36.384 1.00 20.14 H new ATOM 0 HG22 VAL A 79 17.510 42.250 -36.685 1.00 20.14 H new ATOM 0 HG23 VAL A 79 16.428 41.747 -38.005 1.00 20.14 H new ATOM 1162 N THR A 80 21.155 39.857 -38.922 1.00 24.24 N ATOM 1163 CA THR A 80 22.101 38.839 -39.344 1.00 43.31 C ATOM 1164 C THR A 80 22.817 38.245 -38.124 1.00 22.22 C ATOM 1165 O THR A 80 22.703 38.774 -37.015 1.00 20.53 O ATOM 1166 CB THR A 80 23.119 39.435 -40.339 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.457 40.386 -41.179 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.748 38.360 -41.213 1.00 23.11 C ATOM 0 H THR A 80 21.583 40.724 -38.597 1.00 24.24 H new ATOM 0 HA THR A 80 21.558 38.039 -39.848 1.00 43.31 H new ATOM 0 HB THR A 80 23.911 39.913 -39.762 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.876 40.388 -42.065 1.00 23.43 H new ATOM 0 HG21 THR A 80 24.459 38.819 -41.900 1.00 23.11 H new ATOM 0 HG22 THR A 80 24.267 37.637 -40.584 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.969 37.852 -41.782 1.00 23.11 H new ATOM 1176 N ASN A 81 23.534 37.146 -38.321 1.00 12.13 N ATOM 1177 CA ASN A 81 24.174 36.430 -37.223 1.00 13.33 C ATOM 1178 C ASN A 81 25.589 36.954 -36.936 1.00 53.52 C ATOM 1179 O ASN A 81 25.845 37.517 -35.870 1.00 72.31 O ATOM 1180 CB ASN A 81 24.191 34.917 -37.519 1.00 31.34 C ATOM 1181 CG ASN A 81 24.899 34.548 -38.819 1.00 23.22 C ATOM 1182 OD1 ASN A 81 24.971 35.344 -39.761 1.00 55.05 O ATOM 1183 ND2 ASN A 81 25.411 33.331 -38.882 1.00 51.02 N ATOM 0 H ASN A 81 23.688 36.728 -39.238 1.00 12.13 H new ATOM 0 HA ASN A 81 23.587 36.608 -36.322 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.679 34.401 -36.692 1.00 31.34 H new ATOM 0 HB3 ASN A 81 23.164 34.554 -37.560 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.886 33.021 -39.730 1.00 51.02 H new ATOM 0 HD22 ASN A 81 25.331 32.702 -38.083 1.00 51.02 H new ATOM 1190 N ASP A 82 26.500 36.780 -37.886 1.00 32.11 N ATOM 1191 CA ASP A 82 27.900 37.172 -37.696 1.00 24.13 C ATOM 1192 C ASP A 82 28.160 38.568 -38.245 1.00 61.51 C ATOM 1193 O ASP A 82 29.268 39.097 -38.145 1.00 75.51 O ATOM 1194 CB ASP A 82 28.840 36.167 -38.370 1.00 23.52 C ATOM 1195 CG ASP A 82 28.991 34.879 -37.588 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.985 34.746 -36.849 1.00 63.25 O ATOM 1197 OD2 ASP A 82 28.122 33.993 -37.708 1.00 30.43 O1- ATOM 0 H ASP A 82 26.299 36.370 -38.798 1.00 32.11 H new ATOM 0 HA ASP A 82 28.097 37.179 -36.624 1.00 24.13 H new ATOM 0 HB2 ASP A 82 28.463 35.938 -39.367 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.821 36.625 -38.498 1.00 23.52 H new ATOM 1202 N TYR A 83 27.133 39.153 -38.833 1.00 2.10 N ATOM 1203 CA TYR A 83 27.213 40.505 -39.355 1.00 61.22 C ATOM 1204 C TYR A 83 26.021 41.299 -38.853 1.00 25.13 C ATOM 1205 O TYR A 83 24.965 40.732 -38.587 1.00 35.42 O ATOM 1206 CB TYR A 83 27.217 40.503 -40.892 1.00 22.35 C ATOM 1207 CG TYR A 83 28.466 39.921 -41.526 1.00 63.34 C ATOM 1208 CD1 TYR A 83 29.388 40.741 -42.165 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.719 38.555 -41.491 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.526 40.215 -42.750 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.853 38.025 -42.070 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.753 38.855 -42.698 1.00 0.23 C ATOM 1213 OH TYR A 83 31.881 38.319 -43.282 1.00 35.22 O ATOM 0 H TYR A 83 26.225 38.708 -38.962 1.00 2.10 H new ATOM 0 HA TYR A 83 28.142 40.959 -39.012 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.353 39.939 -41.242 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.093 41.528 -41.243 1.00 22.35 H new ATOM 0 HD1 TYR A 83 29.213 41.806 -42.206 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.016 37.897 -41.002 1.00 61.31 H new ATOM 0 HE1 TYR A 83 31.233 40.865 -43.244 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.034 36.961 -42.031 1.00 43.02 H new ATOM 0 HH TYR A 83 31.886 37.348 -43.152 1.00 35.22 H new ATOM 1223 N ILE A 84 26.195 42.594 -38.685 1.00 71.04 N ATOM 1224 CA ILE A 84 25.077 43.461 -38.368 1.00 33.43 C ATOM 1225 C ILE A 84 24.900 44.467 -39.492 1.00 24.33 C ATOM 1226 O ILE A 84 25.579 45.496 -39.532 1.00 13.30 O ATOM 1227 CB ILE A 84 25.246 44.209 -37.019 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.416 43.226 -35.848 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.051 45.121 -36.764 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.829 42.712 -35.669 1.00 21.15 C ATOM 0 H ILE A 84 27.095 43.068 -38.762 1.00 71.04 H new ATOM 0 HA ILE A 84 24.195 42.829 -38.265 1.00 33.43 H new ATOM 0 HB ILE A 84 26.150 44.814 -37.087 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.101 43.717 -34.927 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.749 42.377 -36.001 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.184 45.639 -35.814 1.00 63.41 H new ATOM 0 HG22 ILE A 84 23.974 45.853 -37.568 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.139 44.525 -36.727 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.862 42.025 -34.823 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.143 42.190 -36.573 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.500 43.550 -35.482 1.00 21.15 H new ATOM 1242 N VAL A 85 24.034 44.141 -40.437 1.00 45.21 N ATOM 1243 CA VAL A 85 23.758 45.032 -41.546 1.00 41.00 C ATOM 1244 C VAL A 85 22.577 45.944 -41.210 1.00 52.13 C ATOM 1245 O VAL A 85 21.411 45.540 -41.238 1.00 43.50 O ATOM 1246 CB VAL A 85 23.514 44.253 -42.864 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.426 43.201 -42.704 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.179 45.210 -43.993 1.00 64.33 C ATOM 0 H VAL A 85 23.511 43.265 -40.456 1.00 45.21 H new ATOM 0 HA VAL A 85 24.639 45.653 -41.707 1.00 41.00 H new ATOM 0 HB VAL A 85 24.437 43.729 -43.114 1.00 62.43 H new ATOM 0 HG11 VAL A 85 22.285 42.677 -43.649 1.00 1.04 H new ATOM 0 HG12 VAL A 85 22.720 42.488 -41.934 1.00 1.04 H new ATOM 0 HG13 VAL A 85 21.493 43.684 -42.414 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.011 44.646 -44.910 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.278 45.769 -43.741 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.007 45.903 -44.140 1.00 64.33 H new ATOM 1258 N ASP A 86 22.897 47.171 -40.845 1.00 31.13 N ATOM 1259 CA ASP A 86 21.886 48.133 -40.452 1.00 20.21 C ATOM 1260 C ASP A 86 21.477 48.975 -41.650 1.00 24.31 C ATOM 1261 O ASP A 86 22.326 49.534 -42.347 1.00 74.51 O ATOM 1262 CB ASP A 86 22.409 49.021 -39.324 1.00 4.42 C ATOM 1263 CG ASP A 86 21.299 49.786 -38.633 1.00 33.31 C ATOM 1264 OD1 ASP A 86 20.927 50.876 -39.115 1.00 21.44 O ATOM 1265 OD2 ASP A 86 20.790 49.296 -37.604 1.00 45.22 O1- ATOM 0 H ASP A 86 23.853 47.526 -40.813 1.00 31.13 H new ATOM 0 HA ASP A 86 21.010 47.597 -40.087 1.00 20.21 H new ATOM 0 HB2 ASP A 86 22.933 48.405 -38.593 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.137 49.726 -39.727 1.00 4.42 H new ATOM 1270 N ILE A 87 20.182 49.035 -41.905 1.00 70.13 N ATOM 1271 CA ILE A 87 19.662 49.778 -43.039 1.00 11.31 C ATOM 1272 C ILE A 87 19.287 51.195 -42.621 1.00 5.45 C ATOM 1273 O ILE A 87 18.323 51.405 -41.877 1.00 31.44 O ATOM 1274 CB ILE A 87 18.432 49.076 -43.654 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.799 47.651 -44.087 1.00 41.53 C ATOM 1276 CG2 ILE A 87 17.893 49.878 -44.835 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.637 46.876 -44.673 1.00 31.30 C ATOM 0 H ILE A 87 19.468 48.576 -41.339 1.00 70.13 H new ATOM 0 HA ILE A 87 20.448 49.820 -43.793 1.00 11.31 H new ATOM 0 HB ILE A 87 17.648 49.017 -42.899 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.601 47.699 -44.824 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.190 47.108 -43.226 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.026 49.368 -45.256 1.00 33.35 H new ATOM 0 HG22 ILE A 87 17.600 50.872 -44.497 1.00 33.35 H new ATOM 0 HG23 ILE A 87 18.667 49.968 -45.597 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.971 45.878 -44.956 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.842 46.796 -43.931 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.260 47.396 -45.554 1.00 31.30 H new ATOM 1289 N ALA A 88 20.066 52.158 -43.081 1.00 34.53 N ATOM 1290 CA ALA A 88 19.817 53.559 -42.778 1.00 21.21 C ATOM 1291 C ALA A 88 19.607 54.353 -44.062 1.00 23.43 C ATOM 1292 O ALA A 88 19.727 53.812 -45.162 1.00 54.14 O ATOM 1293 CB ALA A 88 20.975 54.142 -41.983 1.00 40.44 C ATOM 0 H ALA A 88 20.883 51.995 -43.670 1.00 34.53 H new ATOM 0 HA ALA A 88 18.911 53.626 -42.176 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.774 55.191 -41.764 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.089 53.591 -41.049 1.00 40.44 H new ATOM 0 HB3 ALA A 88 21.893 54.062 -42.565 1.00 40.44 H new ATOM 1299 N ASN A 89 19.294 55.632 -43.926 1.00 52.24 N ATOM 1300 CA ASN A 89 19.152 56.502 -45.081 1.00 21.13 C ATOM 1301 C ASN A 89 19.776 57.854 -44.783 1.00 22.12 C ATOM 1302 O ASN A 89 19.427 58.508 -43.801 1.00 62.21 O ATOM 1303 CB ASN A 89 17.680 56.671 -45.470 1.00 44.43 C ATOM 1304 CG ASN A 89 17.500 57.404 -46.794 1.00 51.24 C ATOM 1305 OD1 ASN A 89 18.288 58.275 -47.161 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.464 57.043 -47.529 1.00 52.10 N ATOM 0 H ASN A 89 19.134 56.089 -43.028 1.00 52.24 H new ATOM 0 HA ASN A 89 19.669 56.043 -45.924 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.211 55.689 -45.537 1.00 44.43 H new ATOM 0 HB3 ASN A 89 17.161 57.219 -44.683 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.298 57.490 -48.431 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.830 56.317 -47.195 1.00 52.10 H new ATOM 1313 N ARG A 90 20.711 58.251 -45.625 1.00 34.23 N ATOM 1314 CA ARG A 90 21.386 59.529 -45.477 1.00 61.53 C ATOM 1315 C ARG A 90 20.888 60.509 -46.534 1.00 14.51 C ATOM 1316 O ARG A 90 21.289 60.433 -47.700 1.00 31.12 O ATOM 1317 CB ARG A 90 22.909 59.336 -45.572 1.00 1.00 C ATOM 1318 CG ARG A 90 23.351 58.532 -46.786 1.00 75.44 C ATOM 1319 CD ARG A 90 24.816 58.137 -46.705 1.00 14.21 C ATOM 1320 NE ARG A 90 25.727 59.275 -46.822 1.00 45.22 N ATOM 1321 CZ ARG A 90 27.058 59.164 -46.754 1.00 45.51 C ATOM 1322 NH1 ARG A 90 27.617 57.980 -46.519 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 27.826 60.235 -46.915 1.00 21.12 N ATOM 0 H ARG A 90 21.023 57.702 -46.426 1.00 34.23 H new ATOM 0 HA ARG A 90 21.158 59.944 -44.495 1.00 61.53 H new ATOM 0 HB2 ARG A 90 23.389 60.314 -45.601 1.00 1.00 H new ATOM 0 HB3 ARG A 90 23.260 58.836 -44.669 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.738 57.635 -46.869 1.00 75.44 H new ATOM 0 HG3 ARG A 90 23.183 59.118 -47.690 1.00 75.44 H new ATOM 0 HD2 ARG A 90 24.997 57.631 -45.757 1.00 14.21 H new ATOM 0 HD3 ARG A 90 25.037 57.420 -47.496 1.00 14.21 H new ATOM 0 HE ARG A 90 25.326 60.202 -46.963 1.00 45.22 H new ATOM 0 HH11 ARG A 90 27.030 57.156 -46.390 1.00 34.45 H new ATOM 0 HH12 ARG A 90 28.632 57.897 -46.467 1.00 34.45 H new ATOM 0 HH21 ARG A 90 27.401 61.145 -47.091 1.00 21.12 H new ATOM 0 HH22 ARG A 90 28.841 60.147 -46.863 1.00 21.12 H new ATOM 1337 N ASP A 91 19.968 61.390 -46.126 1.00 14.33 N ATOM 1338 CA ASP A 91 19.399 62.423 -47.004 1.00 71.02 C ATOM 1339 C ASP A 91 18.420 61.825 -48.023 1.00 43.52 C ATOM 1340 O ASP A 91 17.248 62.205 -48.069 1.00 61.51 O ATOM 1341 CB ASP A 91 20.514 63.213 -47.708 1.00 34.34 C ATOM 1342 CG ASP A 91 20.026 63.992 -48.913 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.261 63.528 -50.053 1.00 21.24 O ATOM 1344 OD2 ASP A 91 19.417 65.065 -48.729 1.00 32.31 O1- ATOM 0 H ASP A 91 19.595 61.408 -45.177 1.00 14.33 H new ATOM 0 HA ASP A 91 18.833 63.113 -46.378 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.966 63.904 -46.996 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.296 62.522 -48.023 1.00 34.34 H new ATOM 1349 N GLY A 92 18.904 60.891 -48.821 1.00 75.32 N ATOM 1350 CA GLY A 92 18.082 60.242 -49.821 1.00 62.34 C ATOM 1351 C GLY A 92 18.818 59.089 -50.465 1.00 52.21 C ATOM 1352 O GLY A 92 18.626 58.786 -51.642 1.00 23.30 O ATOM 0 H GLY A 92 19.870 60.564 -48.794 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.163 59.879 -49.361 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.793 60.965 -50.584 1.00 62.34 H new ATOM 1356 N GLN A 93 19.672 58.450 -49.685 1.00 55.42 N ATOM 1357 CA GLN A 93 20.469 57.332 -50.159 1.00 43.03 C ATOM 1358 C GLN A 93 20.455 56.221 -49.124 1.00 53.23 C ATOM 1359 O GLN A 93 20.794 56.449 -47.962 1.00 62.41 O ATOM 1360 CB GLN A 93 21.920 57.767 -50.419 1.00 32.14 C ATOM 1361 CG GLN A 93 22.097 58.736 -51.582 1.00 62.32 C ATOM 1362 CD GLN A 93 22.243 58.050 -52.934 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.913 58.565 -53.827 1.00 25.23 O ATOM 1364 NE2 GLN A 93 21.627 56.888 -53.104 1.00 33.20 N ATOM 0 H GLN A 93 19.832 58.691 -48.707 1.00 55.42 H new ATOM 0 HA GLN A 93 20.038 56.974 -51.094 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.313 58.231 -49.514 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.522 56.879 -50.609 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.240 59.409 -51.617 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.978 59.351 -51.400 1.00 62.32 H new ATOM 0 HE21 GLN A 93 21.078 56.486 -52.344 1.00 33.20 H new ATOM 0 HE22 GLN A 93 21.702 56.396 -53.995 1.00 33.20 H new ATOM 1373 N LEU A 94 20.051 55.029 -49.542 1.00 22.14 N ATOM 1374 CA LEU A 94 20.061 53.870 -48.661 1.00 50.31 C ATOM 1375 C LEU A 94 21.487 53.522 -48.258 1.00 43.43 C ATOM 1376 O LEU A 94 22.341 53.247 -49.106 1.00 52.24 O ATOM 1377 CB LEU A 94 19.387 52.668 -49.335 1.00 41.23 C ATOM 1378 CG LEU A 94 17.865 52.570 -49.148 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.521 52.403 -47.678 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.159 53.791 -49.718 1.00 42.11 C ATOM 0 H LEU A 94 19.712 54.840 -50.485 1.00 22.14 H new ATOM 0 HA LEU A 94 19.496 54.119 -47.763 1.00 50.31 H new ATOM 0 HB2 LEU A 94 19.602 52.705 -50.403 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.842 51.756 -48.950 1.00 41.23 H new ATOM 0 HG LEU A 94 17.517 51.693 -49.694 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.439 52.335 -47.563 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.984 51.493 -47.297 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.892 53.261 -47.118 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.084 53.692 -49.570 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.514 54.687 -49.209 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.373 53.870 -50.784 1.00 42.11 H new ATOM 1392 N GLN A 95 21.736 53.557 -46.962 1.00 22.34 N ATOM 1393 CA GLN A 95 23.048 53.265 -46.423 1.00 52.10 C ATOM 1394 C GLN A 95 23.071 51.855 -45.848 1.00 55.53 C ATOM 1395 O GLN A 95 22.358 51.553 -44.890 1.00 20.22 O ATOM 1396 CB GLN A 95 23.407 54.283 -45.335 1.00 54.30 C ATOM 1397 CG GLN A 95 24.814 54.124 -44.783 1.00 4.25 C ATOM 1398 CD GLN A 95 25.890 54.535 -45.766 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.295 55.694 -45.807 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.369 53.593 -46.558 1.00 5.31 N ATOM 0 H GLN A 95 21.036 53.788 -46.257 1.00 22.34 H new ATOM 0 HA GLN A 95 23.784 53.332 -47.224 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.298 55.288 -45.742 1.00 54.30 H new ATOM 0 HB3 GLN A 95 22.693 54.192 -44.516 1.00 54.30 H new ATOM 0 HG2 GLN A 95 24.911 54.722 -43.877 1.00 4.25 H new ATOM 0 HG3 GLN A 95 24.970 53.084 -44.497 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.008 52.641 -46.495 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.100 53.817 -47.233 1.00 5.31 H new ATOM 1409 N LEU A 96 23.879 50.998 -46.445 1.00 75.11 N ATOM 1410 CA LEU A 96 24.017 49.629 -45.986 1.00 53.33 C ATOM 1411 C LEU A 96 25.179 49.542 -45.001 1.00 12.32 C ATOM 1412 O LEU A 96 26.335 49.368 -45.399 1.00 51.50 O ATOM 1413 CB LEU A 96 24.264 48.704 -47.181 1.00 11.23 C ATOM 1414 CG LEU A 96 24.000 47.221 -46.939 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.504 46.954 -46.869 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.650 46.382 -48.031 1.00 11.35 C ATOM 0 H LEU A 96 24.454 51.229 -47.255 1.00 75.11 H new ATOM 0 HA LEU A 96 23.100 49.316 -45.486 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.636 49.035 -48.008 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.300 48.822 -47.500 1.00 11.23 H new ATOM 0 HG LEU A 96 24.442 46.938 -45.983 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.332 45.892 -46.696 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.069 47.530 -46.052 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.037 47.249 -47.809 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.453 45.326 -47.845 1.00 11.35 H new ATOM 0 HD22 LEU A 96 24.237 46.663 -49.000 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.726 46.556 -48.031 1.00 11.35 H new ATOM 1428 N ASN A 97 24.880 49.713 -43.722 1.00 24.34 N ATOM 1429 CA ASN A 97 25.909 49.700 -42.690 1.00 24.31 C ATOM 1430 C ASN A 97 26.235 48.274 -42.271 1.00 43.41 C ATOM 1431 O ASN A 97 25.539 47.690 -41.445 1.00 33.42 O ATOM 1432 CB ASN A 97 25.467 50.497 -41.456 1.00 32.34 C ATOM 1433 CG ASN A 97 25.302 51.981 -41.718 1.00 4.11 C ATOM 1434 OD1 ASN A 97 24.218 52.452 -42.061 1.00 11.22 O ATOM 1435 ND2 ASN A 97 26.377 52.734 -41.538 1.00 2.51 N ATOM 0 H ASN A 97 23.933 49.863 -43.373 1.00 24.34 H new ATOM 0 HA ASN A 97 26.798 50.166 -43.114 1.00 24.31 H new ATOM 0 HB2 ASN A 97 24.522 50.094 -41.093 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.200 50.356 -40.661 1.00 32.34 H new ATOM 0 HD21 ASN A 97 26.324 53.742 -41.684 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.258 52.306 -41.253 1.00 2.51 H new ATOM 1442 N VAL A 98 27.280 47.706 -42.852 1.00 45.14 N ATOM 1443 CA VAL A 98 27.721 46.371 -42.471 1.00 72.02 C ATOM 1444 C VAL A 98 28.718 46.443 -41.327 1.00 15.31 C ATOM 1445 O VAL A 98 29.875 46.830 -41.508 1.00 42.35 O ATOM 1446 CB VAL A 98 28.339 45.594 -43.656 1.00 44.14 C ATOM 1447 CG1 VAL A 98 29.050 44.332 -43.180 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.257 45.228 -44.655 1.00 24.02 C ATOM 0 H VAL A 98 27.837 48.145 -43.585 1.00 45.14 H new ATOM 0 HA VAL A 98 26.833 45.828 -42.147 1.00 72.02 H new ATOM 0 HB VAL A 98 29.076 46.239 -44.135 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.474 43.808 -44.037 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.848 44.603 -42.489 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.337 43.682 -42.673 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.700 44.681 -45.487 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.508 44.604 -44.168 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.785 46.136 -45.029 1.00 24.02 H new ATOM 1458 N THR A 99 28.243 46.095 -40.149 1.00 13.53 N ATOM 1459 CA THR A 99 29.079 46.041 -38.972 1.00 63.52 C ATOM 1460 C THR A 99 29.553 44.610 -38.738 1.00 34.14 C ATOM 1461 O THR A 99 28.748 43.718 -38.459 1.00 52.04 O ATOM 1462 CB THR A 99 28.302 46.538 -37.744 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.741 47.829 -38.017 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.202 46.618 -36.518 1.00 64.32 C ATOM 0 H THR A 99 27.269 45.843 -39.983 1.00 13.53 H new ATOM 0 HA THR A 99 29.944 46.686 -39.127 1.00 63.52 H new ATOM 0 HB THR A 99 27.504 45.826 -37.535 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.245 48.143 -37.232 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.624 46.973 -35.665 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.605 45.630 -36.297 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.022 47.309 -36.713 1.00 64.32 H new ATOM 1472 N ASP A 100 30.847 44.390 -38.900 1.00 61.11 N ATOM 1473 CA ASP A 100 31.439 43.076 -38.671 1.00 23.41 C ATOM 1474 C ASP A 100 31.467 42.737 -37.183 1.00 63.40 C ATOM 1475 O ASP A 100 31.911 43.537 -36.357 1.00 62.23 O ATOM 1476 CB ASP A 100 32.852 43.030 -39.246 1.00 14.41 C ATOM 1477 CG ASP A 100 33.593 41.763 -38.887 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.754 41.863 -38.455 1.00 4.12 O ATOM 1479 OD2 ASP A 100 33.026 40.664 -39.028 1.00 11.31 O1- ATOM 0 H ASP A 100 31.513 45.106 -39.190 1.00 61.11 H new ATOM 0 HA ASP A 100 30.822 42.333 -39.177 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.800 43.119 -40.331 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.415 43.889 -38.882 1.00 14.41 H new ATOM 1484 N ARG A 101 30.999 41.544 -36.848 1.00 1.22 N ATOM 1485 CA ARG A 101 30.894 41.121 -35.459 1.00 70.42 C ATOM 1486 C ARG A 101 32.134 40.332 -35.046 1.00 41.44 C ATOM 1487 O ARG A 101 32.359 40.070 -33.863 1.00 3.54 O ATOM 1488 CB ARG A 101 29.641 40.264 -35.285 1.00 70.04 C ATOM 1489 CG ARG A 101 29.105 40.212 -33.866 1.00 12.41 C ATOM 1490 CD ARG A 101 27.817 39.405 -33.807 1.00 13.24 C ATOM 1491 NE ARG A 101 27.061 39.655 -32.582 1.00 14.53 N ATOM 1492 CZ ARG A 101 25.809 39.245 -32.385 1.00 32.32 C ATOM 1493 NH1 ARG A 101 25.181 38.536 -33.316 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 25.185 39.553 -31.255 1.00 52.25 N ATOM 0 H ARG A 101 30.684 40.848 -37.524 1.00 1.22 H new ATOM 0 HA ARG A 101 30.822 42.002 -34.821 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.860 40.648 -35.941 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.862 39.249 -35.614 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.850 39.766 -33.207 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.923 41.224 -33.503 1.00 12.41 H new ATOM 0 HD2 ARG A 101 27.198 39.650 -34.670 1.00 13.24 H new ATOM 0 HD3 ARG A 101 28.053 38.343 -33.875 1.00 13.24 H new ATOM 0 HE ARG A 101 27.519 40.174 -31.833 1.00 14.53 H new ATOM 0 HH11 ARG A 101 25.657 38.303 -34.187 1.00 20.33 H new ATOM 0 HH12 ARG A 101 24.222 38.225 -33.160 1.00 20.33 H new ATOM 0 HH21 ARG A 101 25.664 40.102 -30.541 1.00 52.25 H new ATOM 0 HH22 ARG A 101 24.226 39.241 -31.100 1.00 52.25 H new ATOM 1508 N LYS A 102 32.948 39.966 -36.029 1.00 25.22 N ATOM 1509 CA LYS A 102 34.122 39.144 -35.778 1.00 51.24 C ATOM 1510 C LYS A 102 35.328 39.995 -35.386 1.00 24.03 C ATOM 1511 O LYS A 102 35.849 39.872 -34.279 1.00 61.52 O ATOM 1512 CB LYS A 102 34.448 38.295 -37.007 1.00 63.24 C ATOM 1513 CG LYS A 102 33.336 37.330 -37.380 1.00 64.00 C ATOM 1514 CD LYS A 102 33.716 36.469 -38.576 1.00 42.35 C ATOM 1515 CE LYS A 102 32.632 35.455 -38.897 1.00 32.33 C ATOM 1516 NZ LYS A 102 32.390 34.522 -37.766 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.815 40.226 -37.006 1.00 25.22 H new ATOM 0 HA LYS A 102 33.894 38.484 -34.941 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.648 38.953 -37.853 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.362 37.731 -36.819 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.109 36.689 -36.528 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.429 37.890 -37.608 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.889 37.105 -39.444 1.00 42.35 H new ATOM 0 HD3 LYS A 102 34.652 35.950 -38.370 1.00 42.35 H new ATOM 0 HE2 LYS A 102 31.707 35.978 -39.140 1.00 32.33 H new ATOM 0 HE3 LYS A 102 32.918 34.886 -39.782 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 32.342 33.547 -38.125 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 33.167 34.600 -37.079 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 31.492 34.765 -37.302 1.00 73.14 H new ATOM 1530 N THR A 103 35.764 40.857 -36.290 1.00 32.11 N ATOM 1531 CA THR A 103 36.953 41.668 -36.058 1.00 65.25 C ATOM 1532 C THR A 103 36.597 43.145 -35.894 1.00 51.12 C ATOM 1533 O THR A 103 37.305 43.899 -35.220 1.00 72.12 O ATOM 1534 CB THR A 103 37.965 41.508 -37.212 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.357 41.851 -38.467 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.483 40.083 -37.283 1.00 15.44 C ATOM 0 H THR A 103 35.314 41.015 -37.192 1.00 32.11 H new ATOM 0 HA THR A 103 37.407 41.313 -35.133 1.00 65.25 H new ATOM 0 HB THR A 103 38.799 42.182 -37.017 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.404 42.034 -38.330 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.195 39.995 -38.104 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.977 39.828 -36.345 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.650 39.401 -37.451 1.00 15.44 H new ATOM 1544 N GLY A 104 35.499 43.546 -36.518 1.00 65.24 N ATOM 1545 CA GLY A 104 35.030 44.911 -36.409 1.00 42.41 C ATOM 1546 C GLY A 104 35.342 45.732 -37.642 1.00 24.42 C ATOM 1547 O GLY A 104 35.630 46.925 -37.548 1.00 13.23 O ATOM 0 H GLY A 104 34.920 42.943 -37.103 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.953 44.909 -36.241 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.488 45.381 -35.538 1.00 42.41 H new ATOM 1551 N GLN A 105 35.301 45.084 -38.796 1.00 51.35 N ATOM 1552 CA GLN A 105 35.457 45.772 -40.068 1.00 72.04 C ATOM 1553 C GLN A 105 34.211 46.601 -40.369 1.00 12.40 C ATOM 1554 O GLN A 105 33.118 46.056 -40.534 1.00 64.30 O ATOM 1555 CB GLN A 105 35.693 44.758 -41.188 1.00 71.44 C ATOM 1556 CG GLN A 105 36.957 43.935 -41.012 1.00 11.23 C ATOM 1557 CD GLN A 105 37.083 42.829 -42.043 1.00 44.43 C ATOM 1558 OE1 GLN A 105 36.624 41.707 -41.828 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.699 43.136 -43.173 1.00 23.32 N ATOM 0 H GLN A 105 35.160 44.077 -38.878 1.00 51.35 H new ATOM 0 HA GLN A 105 36.319 46.437 -40.006 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.837 44.085 -41.243 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.744 45.287 -42.140 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.825 44.591 -41.080 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.965 43.498 -40.013 1.00 11.23 H new ATOM 0 HE21 GLN A 105 38.066 44.077 -43.314 1.00 23.32 H new ATOM 0 HE22 GLN A 105 37.807 42.432 -43.903 1.00 23.32 H new ATOM 1568 N THR A 106 34.374 47.913 -40.426 1.00 25.35 N ATOM 1569 CA THR A 106 33.259 48.801 -40.703 1.00 43.25 C ATOM 1570 C THR A 106 33.070 48.964 -42.209 1.00 44.11 C ATOM 1571 O THR A 106 33.696 49.819 -42.840 1.00 33.22 O ATOM 1572 CB THR A 106 33.468 50.183 -40.051 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.821 50.023 -38.671 1.00 1.35 O ATOM 1574 CG2 THR A 106 32.206 51.025 -40.152 1.00 5.13 C ATOM 0 H THR A 106 35.267 48.385 -40.284 1.00 25.35 H new ATOM 0 HA THR A 106 32.363 48.351 -40.274 1.00 43.25 H new ATOM 0 HB THR A 106 34.273 50.691 -40.581 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.954 50.904 -38.263 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.378 51.995 -39.685 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.947 51.168 -41.201 1.00 5.13 H new ATOM 0 HG23 THR A 106 31.388 50.517 -39.642 1.00 5.13 H new ATOM 1582 N SER A 107 32.225 48.124 -42.784 1.00 30.10 N ATOM 1583 CA SER A 107 31.965 48.163 -44.211 1.00 71.15 C ATOM 1584 C SER A 107 30.691 48.954 -44.491 1.00 42.21 C ATOM 1585 O SER A 107 29.595 48.395 -44.564 1.00 53.14 O ATOM 1586 CB SER A 107 31.850 46.737 -44.768 1.00 62.32 C ATOM 1587 OG SER A 107 31.745 46.732 -46.183 1.00 35.01 O ATOM 0 H SER A 107 31.706 47.404 -42.281 1.00 30.10 H new ATOM 0 HA SER A 107 32.797 48.661 -44.709 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.722 46.157 -44.466 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.977 46.247 -44.337 1.00 62.32 H new ATOM 0 HG SER A 107 31.675 45.808 -46.503 1.00 35.01 H new ATOM 1593 N THR A 108 30.836 50.260 -44.621 1.00 61.34 N ATOM 1594 CA THR A 108 29.699 51.124 -44.862 1.00 45.01 C ATOM 1595 C THR A 108 29.482 51.308 -46.364 1.00 51.14 C ATOM 1596 O THR A 108 30.119 52.149 -46.999 1.00 24.12 O ATOM 1597 CB THR A 108 29.900 52.488 -44.181 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.447 52.299 -42.866 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.582 53.231 -44.065 1.00 12.31 C ATOM 0 H THR A 108 31.732 50.744 -44.563 1.00 61.34 H new ATOM 0 HA THR A 108 28.813 50.654 -44.435 1.00 45.01 H new ATOM 0 HB THR A 108 30.587 53.075 -44.790 1.00 51.54 H new ATOM 0 HG1 THR A 108 30.575 53.171 -42.437 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.748 54.193 -43.580 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.167 53.393 -45.060 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.883 52.642 -43.471 1.00 12.31 H new ATOM 1607 N ILE A 109 28.592 50.498 -46.923 1.00 13.34 N ATOM 1608 CA ILE A 109 28.356 50.482 -48.360 1.00 55.11 C ATOM 1609 C ILE A 109 27.067 51.224 -48.700 1.00 14.15 C ATOM 1610 O ILE A 109 26.062 51.077 -48.012 1.00 1.14 O ATOM 1611 CB ILE A 109 28.250 49.029 -48.885 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.476 48.214 -48.464 1.00 73.01 C ATOM 1613 CG2 ILE A 109 28.107 49.015 -50.400 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.383 46.747 -48.831 1.00 12.41 C ATOM 0 H ILE A 109 28.018 49.839 -46.398 1.00 13.34 H new ATOM 0 HA ILE A 109 29.201 50.978 -48.838 1.00 55.11 H new ATOM 0 HB ILE A 109 27.361 48.574 -48.448 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.364 48.641 -48.930 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.608 48.303 -47.386 1.00 73.01 H new ATOM 0 HG21 ILE A 109 28.034 47.985 -50.749 1.00 4.42 H new ATOM 0 HG22 ILE A 109 27.207 49.560 -50.686 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.977 49.490 -50.852 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.286 46.232 -48.502 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.515 46.304 -48.343 1.00 12.41 H new ATOM 0 HD13 ILE A 109 29.282 46.648 -49.912 1.00 12.41 H new ATOM 1626 N GLN A 110 27.104 52.042 -49.735 1.00 42.43 N ATOM 1627 CA GLN A 110 25.898 52.680 -50.233 1.00 3.53 C ATOM 1628 C GLN A 110 25.310 51.883 -51.388 1.00 10.22 C ATOM 1629 O GLN A 110 25.979 51.027 -51.971 1.00 61.10 O ATOM 1630 CB GLN A 110 26.186 54.112 -50.676 1.00 51.25 C ATOM 1631 CG GLN A 110 26.171 55.108 -49.535 1.00 2.41 C ATOM 1632 CD GLN A 110 26.771 56.440 -49.926 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.073 57.333 -50.409 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.069 56.583 -49.714 1.00 32.10 N ATOM 0 H GLN A 110 27.953 52.281 -50.247 1.00 42.43 H new ATOM 0 HA GLN A 110 25.171 52.709 -49.421 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.160 54.145 -51.164 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.447 54.410 -51.419 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.144 55.259 -49.201 1.00 2.41 H new ATOM 0 HG3 GLN A 110 26.724 54.697 -48.690 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.608 55.816 -49.312 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.531 57.460 -49.953 1.00 32.10 H new ATOM 1643 N VAL A 111 24.053 52.156 -51.701 1.00 22.34 N ATOM 1644 CA VAL A 111 23.391 51.530 -52.834 1.00 74.24 C ATOM 1645 C VAL A 111 24.032 51.985 -54.149 1.00 21.00 C ATOM 1646 O VAL A 111 24.058 53.175 -54.468 1.00 75.11 O ATOM 1647 CB VAL A 111 21.871 51.836 -52.832 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.609 53.332 -52.726 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.208 51.266 -54.073 1.00 44.35 C ATOM 0 H VAL A 111 23.468 52.811 -51.182 1.00 22.34 H new ATOM 0 HA VAL A 111 23.515 50.451 -52.743 1.00 74.24 H new ATOM 0 HB VAL A 111 21.436 51.356 -51.955 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.534 53.514 -52.727 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.041 53.712 -51.800 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.064 53.842 -53.575 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.142 51.492 -54.052 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.656 51.711 -54.962 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.350 50.186 -54.098 1.00 44.35 H new