USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 Single : A 43 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.821 (180deg=-4.17!) USER MOD Single : A 51 GLN : amide:sc= 0.421 K(o=0.42,f=-0.25) USER MOD Single : A 53 SER OG : rot -169:sc= -1.89! USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0685) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.15 F(o=-0.83,f=-0.15) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3!) USER MOD Single : A 106 ASN : amide:sc= 0.898 K(o=0.9,f=-4.3!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -36:sc= 0.173 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.176 -2.262 -2.636 1.00 0.00 N ATOM 676 CA ASN A 43 14.957 -2.101 -1.425 1.00 0.00 C ATOM 677 C ASN A 43 16.369 -2.557 -1.665 1.00 0.00 C ATOM 678 O ASN A 43 16.590 -3.663 -2.158 1.00 0.00 O ATOM 679 CB ASN A 43 14.355 -2.917 -0.265 1.00 0.00 C ATOM 680 CG ASN A 43 12.997 -2.424 0.211 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.681 -1.245 0.131 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.194 -3.319 0.735 1.00 0.00 N ATOM 0 HA ASN A 43 14.946 -1.045 -1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.261 -3.957 -0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.050 -2.899 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.279 -3.039 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.484 -4.295 0.789 1.00 0.00 H new ATOM 689 N LEU A 44 17.327 -1.720 -1.340 1.00 0.00 N ATOM 690 CA LEU A 44 18.728 -2.074 -1.500 1.00 0.00 C ATOM 691 C LEU A 44 19.554 -1.685 -0.283 1.00 0.00 C ATOM 692 O LEU A 44 19.091 -0.966 0.631 1.00 0.00 O ATOM 693 CB LEU A 44 19.347 -1.439 -2.766 1.00 0.00 C ATOM 694 CG LEU A 44 18.811 -1.895 -4.133 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.513 -1.139 -5.250 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.006 -3.394 -4.326 1.00 0.00 C ATOM 0 H LEU A 44 17.167 -0.786 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 44 18.752 -3.158 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.215 -0.359 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.420 -1.631 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 44 17.743 -1.679 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.125 -1.470 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 44 19.333 -0.070 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.584 -1.334 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.618 -3.689 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.068 -3.633 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.472 -3.934 -3.544 1.00 0.00 H new ATOM 708 N ILE A 45 20.768 -2.167 -0.282 1.00 0.00 N ATOM 709 CA ILE A 45 21.744 -1.902 0.737 1.00 0.00 C ATOM 710 C ILE A 45 23.067 -1.496 0.097 1.00 0.00 C ATOM 711 O ILE A 45 23.459 -2.055 -0.932 1.00 0.00 O ATOM 712 CB ILE A 45 21.929 -3.129 1.706 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.254 -3.058 2.411 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.932 -4.390 0.941 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.311 -3.757 3.721 1.00 0.00 C ATOM 0 H ILE A 45 21.116 -2.779 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 45 21.382 -1.074 1.347 1.00 0.00 H new ATOM 0 HB ILE A 45 21.106 -3.099 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.018 -3.480 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.510 -2.010 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.061 -5.230 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.986 -4.496 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.752 -4.378 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.308 -3.647 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.576 -3.322 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.092 -4.815 3.579 1.00 0.00 H new ATOM 727 N VAL A 46 23.726 -0.517 0.688 1.00 0.00 N ATOM 728 CA VAL A 46 24.980 -0.018 0.181 1.00 0.00 C ATOM 729 C VAL A 46 26.095 -0.233 1.193 1.00 0.00 C ATOM 730 O VAL A 46 25.944 0.062 2.382 1.00 0.00 O ATOM 731 CB VAL A 46 24.897 1.496 -0.180 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.242 2.028 -0.640 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.859 1.728 -1.252 1.00 0.00 C ATOM 0 H VAL A 46 23.402 -0.048 1.534 1.00 0.00 H new ATOM 0 HA VAL A 46 25.200 -0.578 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 46 24.606 2.035 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.150 3.086 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.975 1.902 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.568 1.479 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.815 2.790 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.127 1.165 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.885 1.396 -0.893 1.00 0.00 H new ATOM 743 N LYS A 47 27.176 -0.785 0.723 1.00 0.00 N ATOM 744 CA LYS A 47 28.385 -0.955 1.492 1.00 0.00 C ATOM 745 C LYS A 47 29.585 -0.726 0.620 1.00 0.00 C ATOM 746 O LYS A 47 29.582 -1.092 -0.567 1.00 0.00 O ATOM 747 CB LYS A 47 28.507 -2.325 2.131 1.00 0.00 C ATOM 748 CG LYS A 47 27.631 -2.545 3.343 1.00 0.00 C ATOM 749 CD LYS A 47 27.961 -3.866 4.001 1.00 0.00 C ATOM 750 CE LYS A 47 27.712 -5.021 3.056 1.00 0.00 C ATOM 751 NZ LYS A 47 26.306 -5.054 2.635 1.00 0.00 N ATOM 0 H LYS A 47 27.248 -1.140 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 47 28.336 -0.220 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.264 -3.081 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.546 -2.484 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.773 -1.732 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.582 -2.531 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 29.004 -3.868 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.356 -3.990 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 47 28.356 -4.927 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.972 -5.960 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.029 -6.034 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.706 -4.680 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.185 -4.471 1.783 1.00 0.00 H new ATOM 764 N ALA A 48 30.600 -0.151 1.195 1.00 0.00 N ATOM 765 CA ALA A 48 31.812 0.157 0.497 1.00 0.00 C ATOM 766 C ALA A 48 32.950 0.111 1.472 1.00 0.00 C ATOM 767 O ALA A 48 32.722 0.028 2.682 1.00 0.00 O ATOM 768 CB ALA A 48 31.729 1.534 -0.131 1.00 0.00 C ATOM 0 H ALA A 48 30.608 0.121 2.178 1.00 0.00 H new ATOM 0 HA ALA A 48 31.968 -0.572 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.659 1.751 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.898 1.563 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.570 2.280 0.648 1.00 0.00 H new ATOM 774 N ASP A 49 34.154 0.186 0.954 1.00 0.00 N ATOM 775 CA ASP A 49 35.363 0.152 1.760 1.00 0.00 C ATOM 776 C ASP A 49 35.661 1.530 2.316 1.00 0.00 C ATOM 777 O ASP A 49 36.415 1.680 3.282 1.00 0.00 O ATOM 778 CB ASP A 49 36.555 -0.390 0.942 1.00 0.00 C ATOM 779 CG ASP A 49 36.879 0.421 -0.300 1.00 0.00 C ATOM 780 OD1 ASP A 49 35.949 0.731 -1.086 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.073 0.681 -0.567 1.00 0.00 O ATOM 0 H ASP A 49 34.329 0.273 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 49 35.203 -0.527 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 49 37.437 -0.420 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.341 -1.417 0.646 1.00 0.00 H new ATOM 786 N VAL A 50 35.085 2.534 1.695 1.00 0.00 N ATOM 787 CA VAL A 50 35.156 3.867 2.178 1.00 0.00 C ATOM 788 C VAL A 50 33.765 4.255 2.664 1.00 0.00 C ATOM 789 O VAL A 50 32.783 4.158 1.912 1.00 0.00 O ATOM 790 CB VAL A 50 35.647 4.858 1.098 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.631 6.272 1.633 1.00 0.00 C ATOM 792 CG2 VAL A 50 37.045 4.490 0.613 1.00 0.00 C ATOM 0 H VAL A 50 34.551 2.432 0.832 1.00 0.00 H new ATOM 0 HA VAL A 50 35.883 3.916 2.989 1.00 0.00 H new ATOM 0 HB VAL A 50 34.966 4.797 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.979 6.957 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.615 6.539 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.287 6.340 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.366 5.203 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.740 4.516 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 50 37.030 3.487 0.186 1.00 0.00 H new ATOM 802 N GLN A 51 33.687 4.667 3.905 1.00 0.00 N ATOM 803 CA GLN A 51 32.435 5.008 4.572 1.00 0.00 C ATOM 804 C GLN A 51 31.639 6.041 3.817 1.00 0.00 C ATOM 805 O GLN A 51 30.470 5.844 3.584 1.00 0.00 O ATOM 806 CB GLN A 51 32.726 5.379 6.048 1.00 0.00 C ATOM 807 CG GLN A 51 31.531 5.640 6.984 1.00 0.00 C ATOM 808 CD GLN A 51 30.918 7.027 6.865 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.350 7.974 7.523 1.00 0.00 O ATOM 810 NE2 GLN A 51 29.900 7.151 6.078 1.00 0.00 N ATOM 0 H GLN A 51 34.506 4.780 4.502 1.00 0.00 H new ATOM 0 HA GLN A 51 31.782 4.136 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.319 4.574 6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.351 6.272 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.759 4.898 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 51 31.854 5.488 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.566 6.347 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 51 29.431 8.052 5.989 1.00 0.00 H new ATOM 819 N GLY A 52 32.242 7.086 3.374 1.00 0.00 N ATOM 820 CA GLY A 52 31.464 8.071 2.676 1.00 0.00 C ATOM 821 C GLY A 52 31.183 7.725 1.238 1.00 0.00 C ATOM 822 O GLY A 52 30.508 8.481 0.547 1.00 0.00 O ATOM 0 H GLY A 52 33.237 7.287 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.517 8.207 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.988 9.026 2.713 1.00 0.00 H new ATOM 826 N SER A 53 31.633 6.573 0.783 1.00 0.00 N ATOM 827 CA SER A 53 31.329 6.168 -0.564 1.00 0.00 C ATOM 828 C SER A 53 29.960 5.560 -0.524 1.00 0.00 C ATOM 829 O SER A 53 29.195 5.614 -1.492 1.00 0.00 O ATOM 830 CB SER A 53 32.344 5.171 -1.095 1.00 0.00 C ATOM 831 OG SER A 53 33.649 5.718 -1.094 1.00 0.00 O ATOM 0 H SER A 53 32.200 5.915 1.318 1.00 0.00 H new ATOM 0 HA SER A 53 31.366 7.025 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 53 32.325 4.269 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.072 4.876 -2.108 1.00 0.00 H new ATOM 0 HG SER A 53 34.251 5.130 -1.596 1.00 0.00 H new ATOM 837 N VAL A 54 29.625 5.034 0.655 1.00 0.00 N ATOM 838 CA VAL A 54 28.332 4.496 0.871 1.00 0.00 C ATOM 839 C VAL A 54 27.346 5.640 0.861 1.00 0.00 C ATOM 840 O VAL A 54 26.346 5.599 0.171 1.00 0.00 O ATOM 841 CB VAL A 54 28.211 3.658 2.189 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.346 2.692 2.355 1.00 0.00 C ATOM 843 CG2 VAL A 54 27.945 4.441 3.471 1.00 0.00 C ATOM 0 H VAL A 54 30.250 4.981 1.460 1.00 0.00 H new ATOM 0 HA VAL A 54 28.118 3.789 0.070 1.00 0.00 H new ATOM 0 HB VAL A 54 27.291 3.094 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.217 2.135 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.359 1.998 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.288 3.240 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 54 27.882 3.751 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 54 28.757 5.147 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.005 4.985 3.377 1.00 0.00 H new ATOM 853 N GLU A 55 27.711 6.708 1.558 1.00 0.00 N ATOM 854 CA GLU A 55 26.855 7.893 1.643 1.00 0.00 C ATOM 855 C GLU A 55 26.726 8.598 0.302 1.00 0.00 C ATOM 856 O GLU A 55 25.674 9.170 -0.015 1.00 0.00 O ATOM 857 CB GLU A 55 27.307 8.858 2.730 1.00 0.00 C ATOM 858 CG GLU A 55 27.270 8.252 4.111 1.00 0.00 C ATOM 859 CD GLU A 55 27.519 9.255 5.204 1.00 0.00 C ATOM 860 OE1 GLU A 55 28.685 9.503 5.545 1.00 0.00 O ATOM 861 OE2 GLU A 55 26.543 9.791 5.768 1.00 0.00 O ATOM 0 H GLU A 55 28.589 6.782 2.072 1.00 0.00 H new ATOM 0 HA GLU A 55 25.865 7.535 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.322 9.191 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 55 26.670 9.742 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 55 26.298 7.785 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.018 7.462 4.174 1.00 0.00 H new ATOM 868 N ALA A 56 27.780 8.539 -0.496 1.00 0.00 N ATOM 869 CA ALA A 56 27.769 9.117 -1.829 1.00 0.00 C ATOM 870 C ALA A 56 26.739 8.408 -2.705 1.00 0.00 C ATOM 871 O ALA A 56 26.094 9.024 -3.560 1.00 0.00 O ATOM 872 CB ALA A 56 29.148 9.028 -2.454 1.00 0.00 C ATOM 0 H ALA A 56 28.661 8.093 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 56 27.492 10.168 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 56 29.124 9.465 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.863 9.572 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.450 7.983 -2.523 1.00 0.00 H new ATOM 878 N LEU A 57 26.575 7.123 -2.483 1.00 0.00 N ATOM 879 CA LEU A 57 25.609 6.353 -3.218 1.00 0.00 C ATOM 880 C LEU A 57 24.221 6.483 -2.584 1.00 0.00 C ATOM 881 O LEU A 57 23.238 6.621 -3.288 1.00 0.00 O ATOM 882 CB LEU A 57 26.066 4.890 -3.346 1.00 0.00 C ATOM 883 CG LEU A 57 25.171 3.951 -4.173 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.916 4.527 -5.562 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.831 2.588 -4.307 1.00 0.00 C ATOM 0 H LEU A 57 27.105 6.590 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 57 25.533 6.750 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 27.063 4.883 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.158 4.474 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 57 24.218 3.848 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.281 3.845 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.420 5.493 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.865 4.655 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.190 1.930 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.794 2.697 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.983 2.158 -3.317 1.00 0.00 H new ATOM 897 N VAL A 58 24.165 6.497 -1.254 1.00 0.00 N ATOM 898 CA VAL A 58 22.900 6.640 -0.502 1.00 0.00 C ATOM 899 C VAL A 58 22.134 7.889 -0.907 1.00 0.00 C ATOM 900 O VAL A 58 20.942 7.818 -1.173 1.00 0.00 O ATOM 901 CB VAL A 58 23.140 6.646 1.035 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.886 7.044 1.818 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.589 5.288 1.477 1.00 0.00 C ATOM 0 H VAL A 58 24.989 6.410 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 58 22.296 5.769 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 58 23.909 7.390 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.105 7.033 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.575 8.046 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.084 6.337 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.757 5.293 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.821 4.554 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.516 5.027 0.966 1.00 0.00 H new ATOM 913 N ALA A 59 22.828 9.002 -1.013 1.00 0.00 N ATOM 914 CA ALA A 59 22.199 10.279 -1.372 1.00 0.00 C ATOM 915 C ALA A 59 21.651 10.271 -2.804 1.00 0.00 C ATOM 916 O ALA A 59 20.829 11.100 -3.168 1.00 0.00 O ATOM 917 CB ALA A 59 23.171 11.424 -1.172 1.00 0.00 C ATOM 0 H ALA A 59 23.834 9.060 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 59 21.348 10.422 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.688 12.363 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.478 11.462 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.047 11.272 -1.802 1.00 0.00 H new ATOM 923 N ALA A 60 22.078 9.314 -3.588 1.00 0.00 N ATOM 924 CA ALA A 60 21.635 9.201 -4.945 1.00 0.00 C ATOM 925 C ALA A 60 20.585 8.138 -5.021 1.00 0.00 C ATOM 926 O ALA A 60 19.768 8.128 -5.900 1.00 0.00 O ATOM 927 CB ALA A 60 22.791 8.845 -5.853 1.00 0.00 C ATOM 0 H ALA A 60 22.741 8.595 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 60 21.225 10.157 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.435 8.763 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.553 9.622 -5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.219 7.892 -5.541 1.00 0.00 H new ATOM 933 N LEU A 61 20.606 7.272 -4.059 1.00 0.00 N ATOM 934 CA LEU A 61 19.717 6.165 -4.010 1.00 0.00 C ATOM 935 C LEU A 61 18.409 6.579 -3.340 1.00 0.00 C ATOM 936 O LEU A 61 17.347 6.205 -3.766 1.00 0.00 O ATOM 937 CB LEU A 61 20.400 5.035 -3.258 1.00 0.00 C ATOM 938 CG LEU A 61 20.413 3.657 -3.920 1.00 0.00 C ATOM 939 CD1 LEU A 61 19.009 3.112 -4.105 1.00 0.00 C ATOM 940 CD2 LEU A 61 21.148 3.711 -5.255 1.00 0.00 C ATOM 0 H LEU A 61 21.255 7.319 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 61 19.473 5.822 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.433 5.330 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.917 4.937 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 61 20.945 2.977 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.059 2.131 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.523 3.022 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.435 3.791 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.147 2.721 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.647 4.417 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.176 4.034 -5.091 1.00 0.00 H new ATOM 952 N GLN A 62 18.501 7.406 -2.319 1.00 0.00 N ATOM 953 CA GLN A 62 17.316 7.899 -1.623 1.00 0.00 C ATOM 954 C GLN A 62 16.558 8.913 -2.492 1.00 0.00 C ATOM 955 O GLN A 62 15.449 9.313 -2.160 1.00 0.00 O ATOM 956 CB GLN A 62 17.697 8.535 -0.277 1.00 0.00 C ATOM 957 CG GLN A 62 18.538 9.796 -0.408 1.00 0.00 C ATOM 958 CD GLN A 62 18.965 10.397 0.917 1.00 0.00 C ATOM 959 OE1 GLN A 62 19.175 9.579 1.921 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 19.120 11.607 1.027 1.00 0.00 N flip ATOM 0 H GLN A 62 19.384 7.755 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 62 16.662 7.048 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.786 8.773 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.246 7.804 0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.428 9.567 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.972 10.541 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.949 12.218 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.420 12.004 1.917 1.00 0.00 H new ATOM 969 N LYS A 63 17.177 9.330 -3.598 1.00 0.00 N ATOM 970 CA LYS A 63 16.543 10.270 -4.504 1.00 0.00 C ATOM 971 C LYS A 63 15.937 9.515 -5.688 1.00 0.00 C ATOM 972 O LYS A 63 15.351 10.125 -6.599 1.00 0.00 O ATOM 973 CB LYS A 63 17.537 11.354 -5.007 1.00 0.00 C ATOM 974 CG LYS A 63 18.545 10.875 -6.049 1.00 0.00 C ATOM 975 CD LYS A 63 19.533 11.962 -6.439 1.00 0.00 C ATOM 976 CE LYS A 63 20.387 11.546 -7.638 1.00 0.00 C ATOM 977 NZ LYS A 63 19.615 11.502 -8.909 1.00 0.00 N ATOM 0 H LYS A 63 18.110 9.030 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 63 15.754 10.785 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.966 12.180 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.083 11.749 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.090 10.016 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.012 10.536 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.992 12.877 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.180 12.187 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.217 12.244 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.819 10.564 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.269 11.382 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.949 10.703 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.086 12.390 -9.025 1.00 0.00 H new ATOM 1098 N VAL A 71 13.566 3.334 -5.991 1.00 0.00 N ATOM 1099 CA VAL A 71 14.522 2.394 -5.450 1.00 0.00 C ATOM 1100 C VAL A 71 15.137 3.071 -4.263 1.00 0.00 C ATOM 1101 O VAL A 71 15.633 4.170 -4.387 1.00 0.00 O ATOM 1102 CB VAL A 71 15.638 2.016 -6.475 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.574 0.969 -5.896 1.00 0.00 C ATOM 1104 CG2 VAL A 71 15.049 1.539 -7.804 1.00 0.00 C ATOM 0 HA VAL A 71 14.019 1.462 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 71 16.214 2.920 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.342 0.723 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.045 1.361 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.007 0.071 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.857 1.286 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.429 0.659 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.440 2.332 -8.238 1.00 0.00 H new ATOM 1114 N LYS A 72 15.086 2.451 -3.133 1.00 0.00 N ATOM 1115 CA LYS A 72 15.521 3.082 -1.925 1.00 0.00 C ATOM 1116 C LYS A 72 16.478 2.191 -1.153 1.00 0.00 C ATOM 1117 O LYS A 72 16.469 0.969 -1.290 1.00 0.00 O ATOM 1118 CB LYS A 72 14.295 3.383 -1.077 1.00 0.00 C ATOM 1119 CG LYS A 72 14.558 4.088 0.247 1.00 0.00 C ATOM 1120 CD LYS A 72 13.291 4.147 1.062 1.00 0.00 C ATOM 1121 CE LYS A 72 12.941 2.763 1.614 1.00 0.00 C ATOM 1122 NZ LYS A 72 11.592 2.705 2.180 1.00 0.00 N ATOM 0 H LYS A 72 14.744 1.497 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 72 16.053 4.001 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.613 3.998 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.781 2.444 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.333 3.559 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.929 5.096 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.413 4.852 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.472 4.516 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.028 2.026 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.665 2.489 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.407 1.747 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.513 3.388 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.896 2.939 1.443 1.00 0.00 H new ATOM 1135 N ILE A 73 17.295 2.812 -0.355 1.00 0.00 N ATOM 1136 CA ILE A 73 18.206 2.129 0.504 1.00 0.00 C ATOM 1137 C ILE A 73 17.622 1.941 1.904 1.00 0.00 C ATOM 1138 O ILE A 73 16.798 2.736 2.360 1.00 0.00 O ATOM 1139 CB ILE A 73 19.595 2.824 0.573 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.515 4.380 0.537 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.478 2.314 -0.533 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.748 5.031 1.671 1.00 0.00 C ATOM 0 H ILE A 73 17.345 3.828 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 73 18.362 1.144 0.065 1.00 0.00 H new ATOM 0 HB ILE A 73 20.026 2.568 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.530 4.777 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 73 19.055 4.679 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.450 2.805 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.609 1.237 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 20.016 2.530 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.758 6.113 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.718 4.675 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.216 4.774 2.621 1.00 0.00 H new ATOM 1154 N ILE A 74 17.997 0.876 2.545 1.00 0.00 N ATOM 1155 CA ILE A 74 17.563 0.621 3.912 1.00 0.00 C ATOM 1156 C ILE A 74 18.744 0.682 4.868 1.00 0.00 C ATOM 1157 O ILE A 74 18.619 1.104 6.019 1.00 0.00 O ATOM 1158 CB ILE A 74 16.859 -0.765 4.021 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.608 -0.778 3.141 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.504 -1.116 5.473 1.00 0.00 C ATOM 1161 CD1 ILE A 74 14.888 -2.093 3.130 1.00 0.00 C ATOM 0 H ILE A 74 18.606 0.158 2.153 1.00 0.00 H new ATOM 0 HA ILE A 74 16.847 1.396 4.188 1.00 0.00 H new ATOM 0 HB ILE A 74 17.556 -1.526 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.924 -0.003 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.891 -0.521 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.015 -2.090 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.414 -1.148 6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.831 -0.360 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.013 -2.023 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.555 -2.870 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.573 -2.344 4.143 1.00 0.00 H new ATOM 1173 N HIS A 75 19.898 0.327 4.375 1.00 0.00 N ATOM 1174 CA HIS A 75 21.051 0.194 5.222 1.00 0.00 C ATOM 1175 C HIS A 75 22.326 0.477 4.431 1.00 0.00 C ATOM 1176 O HIS A 75 22.482 0.013 3.296 1.00 0.00 O ATOM 1177 CB HIS A 75 21.028 -1.224 5.864 1.00 0.00 C ATOM 1178 CG HIS A 75 22.192 -1.612 6.750 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.788 -2.818 6.933 1.00 0.00 N flip ATOM 1180 CD2 HIS A 75 22.894 -0.730 7.542 1.00 0.00 C flip ATOM 1181 CE1 HIS A 75 23.826 -2.636 7.800 1.00 0.00 C flip ATOM 1182 NE2 HIS A 75 23.870 -1.373 8.150 1.00 0.00 N flip ATOM 0 H HIS A 75 20.065 0.124 3.389 1.00 0.00 H new ATOM 0 HA HIS A 75 21.030 0.928 6.028 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.115 -1.311 6.452 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.960 -1.956 5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.678 0.323 7.648 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.501 -3.406 8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.548 -0.957 8.788 1.00 0.00 H new ATOM 1190 N ALA A 76 23.188 1.279 5.012 1.00 0.00 N ATOM 1191 CA ALA A 76 24.452 1.665 4.435 1.00 0.00 C ATOM 1192 C ALA A 76 25.510 1.557 5.505 1.00 0.00 C ATOM 1193 O ALA A 76 25.318 2.079 6.607 1.00 0.00 O ATOM 1194 CB ALA A 76 24.372 3.093 3.956 1.00 0.00 C ATOM 0 H ALA A 76 23.022 1.693 5.929 1.00 0.00 H new ATOM 0 HA ALA A 76 24.695 1.018 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.327 3.385 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.588 3.181 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.143 3.747 4.798 1.00 0.00 H new ATOM 1200 N ALA A 77 26.596 0.890 5.218 1.00 0.00 N ATOM 1201 CA ALA A 77 27.645 0.703 6.201 1.00 0.00 C ATOM 1202 C ALA A 77 28.988 0.561 5.523 1.00 0.00 C ATOM 1203 O ALA A 77 29.059 0.235 4.337 1.00 0.00 O ATOM 1204 CB ALA A 77 27.358 -0.535 7.049 1.00 0.00 C ATOM 0 H ALA A 77 26.783 0.464 4.311 1.00 0.00 H new ATOM 0 HA ALA A 77 27.671 1.580 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.153 -0.665 7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.405 -0.411 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.311 -1.414 6.406 1.00 0.00 H new ATOM 1210 N VAL A 78 30.040 0.792 6.260 1.00 0.00 N ATOM 1211 CA VAL A 78 31.364 0.622 5.731 1.00 0.00 C ATOM 1212 C VAL A 78 31.855 -0.783 6.075 1.00 0.00 C ATOM 1213 O VAL A 78 32.214 -1.089 7.222 1.00 0.00 O ATOM 1214 CB VAL A 78 32.375 1.731 6.204 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.454 1.851 7.723 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.753 1.484 5.617 1.00 0.00 C ATOM 0 H VAL A 78 30.005 1.099 7.232 1.00 0.00 H new ATOM 0 HA VAL A 78 31.313 0.739 4.648 1.00 0.00 H new ATOM 0 HB VAL A 78 31.993 2.682 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.167 2.631 7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.471 2.106 8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.781 0.901 8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.438 2.262 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.119 0.511 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.694 1.502 4.529 1.00 0.00 H new ATOM 1226 N GLY A 79 31.736 -1.651 5.128 1.00 0.00 N ATOM 1227 CA GLY A 79 32.143 -2.994 5.304 1.00 0.00 C ATOM 1228 C GLY A 79 31.966 -3.757 4.044 1.00 0.00 C ATOM 1229 O GLY A 79 31.439 -3.224 3.058 1.00 0.00 O ATOM 0 H GLY A 79 31.351 -1.443 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.188 -3.027 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.561 -3.456 6.101 1.00 0.00 H new ATOM 1233 N ALA A 80 32.388 -4.972 4.054 1.00 0.00 N ATOM 1234 CA ALA A 80 32.188 -5.860 2.951 1.00 0.00 C ATOM 1235 C ALA A 80 30.970 -6.733 3.276 1.00 0.00 C ATOM 1236 O ALA A 80 30.276 -6.466 4.269 1.00 0.00 O ATOM 1237 CB ALA A 80 33.433 -6.689 2.762 1.00 0.00 C ATOM 0 H ALA A 80 32.890 -5.389 4.838 1.00 0.00 H new ATOM 0 HA ALA A 80 32.003 -5.321 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.292 -7.371 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.279 -6.033 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.628 -7.264 3.667 1.00 0.00 H new ATOM 1243 N ILE A 81 30.701 -7.758 2.493 1.00 0.00 N ATOM 1244 CA ILE A 81 29.508 -8.553 2.731 1.00 0.00 C ATOM 1245 C ILE A 81 29.759 -9.630 3.773 1.00 0.00 C ATOM 1246 O ILE A 81 30.618 -10.507 3.592 1.00 0.00 O ATOM 1247 CB ILE A 81 28.896 -9.201 1.441 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.417 -8.157 0.419 1.00 0.00 C ATOM 1249 CG2 ILE A 81 27.740 -10.106 1.804 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.498 -7.487 -0.381 1.00 0.00 C ATOM 0 H ILE A 81 31.275 -8.057 1.704 1.00 0.00 H new ATOM 0 HA ILE A 81 28.771 -7.842 3.103 1.00 0.00 H new ATOM 0 HB ILE A 81 29.696 -9.777 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 81 27.726 -8.641 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.853 -7.389 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.326 -10.548 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.091 -10.897 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 81 26.968 -9.526 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.050 -6.771 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.179 -6.966 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.050 -8.237 -0.946 1.00 0.00 H new ATOM 1262 N THR A 82 29.022 -9.551 4.850 1.00 0.00 N ATOM 1263 CA THR A 82 29.097 -10.503 5.915 1.00 0.00 C ATOM 1264 C THR A 82 27.723 -11.149 6.140 1.00 0.00 C ATOM 1265 O THR A 82 26.701 -10.618 5.692 1.00 0.00 O ATOM 1266 CB THR A 82 29.563 -9.813 7.190 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.763 -8.643 7.393 1.00 0.00 O ATOM 1268 CG2 THR A 82 31.029 -9.427 7.087 1.00 0.00 C ATOM 0 H THR A 82 28.342 -8.808 5.010 1.00 0.00 H new ATOM 0 HA THR A 82 29.812 -11.281 5.648 1.00 0.00 H new ATOM 0 HB THR A 82 29.453 -10.495 8.033 1.00 0.00 H new ATOM 0 HG1 THR A 82 29.050 -8.188 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.341 -8.935 8.008 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.631 -10.322 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 82 31.168 -8.746 6.247 1.00 0.00 H new ATOM 1276 N GLU A 83 27.717 -12.278 6.815 1.00 0.00 N ATOM 1277 CA GLU A 83 26.515 -13.072 7.110 1.00 0.00 C ATOM 1278 C GLU A 83 25.427 -12.223 7.800 1.00 0.00 C ATOM 1279 O GLU A 83 24.242 -12.300 7.461 1.00 0.00 O ATOM 1280 CB GLU A 83 26.839 -14.266 8.053 1.00 0.00 C ATOM 1281 CG GLU A 83 28.048 -15.130 7.690 1.00 0.00 C ATOM 1282 CD GLU A 83 29.363 -14.429 7.938 1.00 0.00 C ATOM 1283 OE1 GLU A 83 29.805 -14.350 9.109 1.00 0.00 O ATOM 1284 OE2 GLU A 83 29.937 -13.879 6.989 1.00 0.00 O ATOM 0 H GLU A 83 28.569 -12.693 7.191 1.00 0.00 H new ATOM 0 HA GLU A 83 26.153 -13.436 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 83 26.994 -13.872 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 83 25.962 -14.912 8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 83 28.018 -16.052 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 83 27.985 -15.413 6.639 1.00 0.00 H new ATOM 1291 N SER A 84 25.842 -11.420 8.758 1.00 0.00 N ATOM 1292 CA SER A 84 24.927 -10.620 9.559 1.00 0.00 C ATOM 1293 C SER A 84 24.286 -9.516 8.704 1.00 0.00 C ATOM 1294 O SER A 84 23.158 -9.078 8.961 1.00 0.00 O ATOM 1295 CB SER A 84 25.673 -10.028 10.767 1.00 0.00 C ATOM 1296 OG SER A 84 24.776 -9.437 11.705 1.00 0.00 O ATOM 0 H SER A 84 26.824 -11.301 9.007 1.00 0.00 H new ATOM 0 HA SER A 84 24.125 -11.258 9.929 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.249 -10.812 11.259 1.00 0.00 H new ATOM 0 HB3 SER A 84 26.385 -9.278 10.423 1.00 0.00 H new ATOM 0 HG SER A 84 25.285 -9.073 12.459 1.00 0.00 H new ATOM 1302 N ASP A 85 24.994 -9.115 7.684 1.00 0.00 N ATOM 1303 CA ASP A 85 24.536 -8.105 6.751 1.00 0.00 C ATOM 1304 C ASP A 85 23.485 -8.704 5.840 1.00 0.00 C ATOM 1305 O ASP A 85 22.420 -8.120 5.615 1.00 0.00 O ATOM 1306 CB ASP A 85 25.711 -7.624 5.934 1.00 0.00 C ATOM 1307 CG ASP A 85 25.332 -6.696 4.850 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.320 -5.478 5.085 1.00 0.00 O ATOM 1309 OD2 ASP A 85 25.138 -7.146 3.698 1.00 0.00 O ATOM 0 H ASP A 85 25.921 -9.482 7.469 1.00 0.00 H new ATOM 0 HA ASP A 85 24.101 -7.265 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 85 26.424 -7.129 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 85 26.221 -8.485 5.503 1.00 0.00 H new ATOM 1314 N ILE A 86 23.772 -9.902 5.370 1.00 0.00 N ATOM 1315 CA ILE A 86 22.874 -10.668 4.518 1.00 0.00 C ATOM 1316 C ILE A 86 21.547 -10.952 5.218 1.00 0.00 C ATOM 1317 O ILE A 86 20.489 -11.068 4.576 1.00 0.00 O ATOM 1318 CB ILE A 86 23.552 -11.971 4.120 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.794 -11.639 3.318 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.620 -12.883 3.340 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.523 -12.829 2.831 1.00 0.00 C ATOM 0 H ILE A 86 24.650 -10.381 5.571 1.00 0.00 H new ATOM 0 HA ILE A 86 22.654 -10.080 3.627 1.00 0.00 H new ATOM 0 HB ILE A 86 23.828 -12.519 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.511 -11.023 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.464 -11.040 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.145 -13.801 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.751 -13.125 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.294 -12.378 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.400 -12.513 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.838 -13.435 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 86 24.870 -13.418 2.187 1.00 0.00 H new ATOM 1333 N SER A 87 21.599 -11.010 6.522 1.00 0.00 N ATOM 1334 CA SER A 87 20.429 -11.210 7.322 1.00 0.00 C ATOM 1335 C SER A 87 19.407 -10.047 7.110 1.00 0.00 C ATOM 1336 O SER A 87 18.218 -10.220 7.353 1.00 0.00 O ATOM 1337 CB SER A 87 20.826 -11.381 8.797 1.00 0.00 C ATOM 1338 OG SER A 87 19.745 -11.856 9.586 1.00 0.00 O ATOM 0 H SER A 87 22.462 -10.919 7.059 1.00 0.00 H new ATOM 0 HA SER A 87 19.929 -12.126 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 87 21.661 -12.077 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 87 21.172 -10.426 9.193 1.00 0.00 H new ATOM 0 HG SER A 87 20.037 -11.953 10.516 1.00 0.00 H new ATOM 1344 N LEU A 88 19.877 -8.880 6.634 1.00 0.00 N ATOM 1345 CA LEU A 88 18.996 -7.771 6.290 1.00 0.00 C ATOM 1346 C LEU A 88 18.438 -7.996 4.893 1.00 0.00 C ATOM 1347 O LEU A 88 17.258 -7.706 4.620 1.00 0.00 O ATOM 1348 CB LEU A 88 19.760 -6.402 6.390 1.00 0.00 C ATOM 1349 CG LEU A 88 19.020 -5.095 5.938 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.036 -4.905 4.410 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.586 -5.110 6.443 1.00 0.00 C ATOM 0 H LEU A 88 20.867 -8.689 6.482 1.00 0.00 H new ATOM 0 HA LEU A 88 18.168 -7.728 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 88 20.065 -6.268 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.672 -6.488 5.799 1.00 0.00 H new ATOM 0 HG LEU A 88 19.559 -4.253 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.510 -3.986 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.067 -4.843 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.542 -5.751 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.079 -4.199 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.066 -5.976 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.584 -5.165 7.532 1.00 0.00 H new ATOM 1363 N ALA A 89 19.279 -8.530 4.037 1.00 0.00 N ATOM 1364 CA ALA A 89 18.963 -8.762 2.643 1.00 0.00 C ATOM 1365 C ALA A 89 17.684 -9.569 2.487 1.00 0.00 C ATOM 1366 O ALA A 89 16.717 -9.086 1.935 1.00 0.00 O ATOM 1367 CB ALA A 89 20.128 -9.441 1.951 1.00 0.00 C ATOM 0 H ALA A 89 20.222 -8.822 4.294 1.00 0.00 H new ATOM 0 HA ALA A 89 18.791 -7.797 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.880 -9.611 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.011 -8.805 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.332 -10.396 2.435 1.00 0.00 H new ATOM 1373 N THR A 90 17.655 -10.765 3.017 1.00 0.00 N ATOM 1374 CA THR A 90 16.452 -11.582 2.938 1.00 0.00 C ATOM 1375 C THR A 90 15.314 -11.019 3.840 1.00 0.00 C ATOM 1376 O THR A 90 14.128 -11.272 3.590 1.00 0.00 O ATOM 1377 CB THR A 90 16.748 -13.072 3.286 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.546 -13.862 3.207 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.381 -13.214 4.660 1.00 0.00 C ATOM 0 H THR A 90 18.438 -11.199 3.505 1.00 0.00 H new ATOM 0 HA THR A 90 16.108 -11.541 1.905 1.00 0.00 H new ATOM 0 HB THR A 90 17.462 -13.441 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.752 -14.794 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.572 -14.267 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.321 -12.663 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.705 -12.814 5.415 1.00 0.00 H new ATOM 1387 N ALA A 91 15.680 -10.226 4.853 1.00 0.00 N ATOM 1388 CA ALA A 91 14.711 -9.672 5.795 1.00 0.00 C ATOM 1389 C ALA A 91 13.790 -8.662 5.142 1.00 0.00 C ATOM 1390 O ALA A 91 12.580 -8.853 5.100 1.00 0.00 O ATOM 1391 CB ALA A 91 15.399 -9.048 6.991 1.00 0.00 C ATOM 0 H ALA A 91 16.646 -9.955 5.039 1.00 0.00 H new ATOM 0 HA ALA A 91 14.101 -10.508 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.650 -8.645 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.989 -9.805 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.054 -8.244 6.655 1.00 0.00 H new ATOM 1397 N SER A 92 14.359 -7.604 4.624 1.00 0.00 N ATOM 1398 CA SER A 92 13.573 -6.559 4.013 1.00 0.00 C ATOM 1399 C SER A 92 13.533 -6.728 2.492 1.00 0.00 C ATOM 1400 O SER A 92 12.988 -5.889 1.772 1.00 0.00 O ATOM 1401 CB SER A 92 14.146 -5.217 4.409 1.00 0.00 C ATOM 1402 OG SER A 92 14.236 -5.123 5.829 1.00 0.00 O ATOM 0 H SER A 92 15.366 -7.442 4.612 1.00 0.00 H new ATOM 0 HA SER A 92 12.544 -6.620 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.133 -5.089 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.516 -4.416 4.023 1.00 0.00 H new ATOM 0 HG SER A 92 14.610 -4.251 6.076 1.00 0.00 H new ATOM 1408 N ASN A 93 14.116 -7.834 2.027 1.00 0.00 N ATOM 1409 CA ASN A 93 14.157 -8.213 0.602 1.00 0.00 C ATOM 1410 C ASN A 93 14.998 -7.248 -0.195 1.00 0.00 C ATOM 1411 O ASN A 93 14.716 -6.949 -1.357 1.00 0.00 O ATOM 1412 CB ASN A 93 12.747 -8.395 -0.008 1.00 0.00 C ATOM 1413 CG ASN A 93 12.004 -9.555 0.620 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.140 -10.705 0.190 1.00 0.00 O ATOM 1415 ND2 ASN A 93 11.200 -9.279 1.616 1.00 0.00 N ATOM 0 H ASN A 93 14.583 -8.507 2.635 1.00 0.00 H new ATOM 0 HA ASN A 93 14.636 -9.191 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.172 -7.479 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.835 -8.559 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.664 -10.024 2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.110 -8.319 1.948 1.00 0.00 H new ATOM 1422 N ALA A 94 16.061 -6.816 0.430 1.00 0.00 N ATOM 1423 CA ALA A 94 17.003 -5.926 -0.172 1.00 0.00 C ATOM 1424 C ALA A 94 18.132 -6.746 -0.765 1.00 0.00 C ATOM 1425 O ALA A 94 18.559 -7.720 -0.178 1.00 0.00 O ATOM 1426 CB ALA A 94 17.547 -4.965 0.877 1.00 0.00 C ATOM 0 H ALA A 94 16.296 -7.080 1.387 1.00 0.00 H new ATOM 0 HA ALA A 94 16.520 -5.344 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.265 -4.288 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.726 -4.387 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.040 -5.531 1.668 1.00 0.00 H new ATOM 1432 N ILE A 95 18.590 -6.381 -1.915 1.00 0.00 N ATOM 1433 CA ILE A 95 19.697 -7.091 -2.535 1.00 0.00 C ATOM 1434 C ILE A 95 20.989 -6.363 -2.182 1.00 0.00 C ATOM 1435 O ILE A 95 21.018 -5.117 -2.116 1.00 0.00 O ATOM 1436 CB ILE A 95 19.514 -7.196 -4.090 1.00 0.00 C ATOM 1437 CG1 ILE A 95 18.206 -7.937 -4.437 1.00 0.00 C ATOM 1438 CG2 ILE A 95 20.710 -7.868 -4.774 1.00 0.00 C ATOM 1439 CD1 ILE A 95 18.120 -9.359 -3.896 1.00 0.00 C ATOM 0 H ILE A 95 18.226 -5.598 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 95 19.732 -8.113 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 95 19.455 -6.177 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 95 17.365 -7.363 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 95 18.098 -7.968 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.534 -7.917 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 95 21.613 -7.289 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.834 -8.877 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 95 17.168 -9.802 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 95 18.937 -9.954 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.193 -9.340 -2.809 1.00 0.00 H new ATOM 1451 N VAL A 96 22.040 -7.114 -1.945 1.00 0.00 N ATOM 1452 CA VAL A 96 23.272 -6.546 -1.504 1.00 0.00 C ATOM 1453 C VAL A 96 24.186 -6.276 -2.671 1.00 0.00 C ATOM 1454 O VAL A 96 24.600 -7.196 -3.390 1.00 0.00 O ATOM 1455 CB VAL A 96 24.007 -7.468 -0.512 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.240 -6.789 0.049 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.098 -7.940 0.607 1.00 0.00 C ATOM 0 H VAL A 96 22.055 -8.128 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 96 23.021 -5.612 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 96 24.322 -8.350 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 96 25.740 -7.461 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 96 25.920 -6.539 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 96 24.948 -5.877 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.658 -8.587 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.722 -7.078 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.260 -8.494 0.185 1.00 0.00 H new ATOM 1467 N ILE A 97 24.485 -5.035 -2.856 1.00 0.00 N ATOM 1468 CA ILE A 97 25.396 -4.617 -3.860 1.00 0.00 C ATOM 1469 C ILE A 97 26.559 -3.933 -3.156 1.00 0.00 C ATOM 1470 O ILE A 97 26.367 -3.125 -2.235 1.00 0.00 O ATOM 1471 CB ILE A 97 24.674 -3.710 -4.947 1.00 0.00 C ATOM 1472 CG1 ILE A 97 25.591 -3.271 -6.143 1.00 0.00 C ATOM 1473 CG2 ILE A 97 23.974 -2.509 -4.318 1.00 0.00 C ATOM 1474 CD1 ILE A 97 26.615 -2.173 -5.858 1.00 0.00 C ATOM 0 H ILE A 97 24.095 -4.272 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 97 25.784 -5.463 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 97 23.915 -4.359 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 97 26.126 -4.150 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 97 24.950 -2.934 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 97 23.494 -1.918 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 97 23.221 -2.856 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.706 -1.894 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 97 27.184 -1.962 -6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 97 26.099 -1.269 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 97 27.294 -2.504 -5.072 1.00 0.00 H new ATOM 1486 N GLY A 98 27.734 -4.325 -3.514 1.00 0.00 N ATOM 1487 CA GLY A 98 28.912 -3.755 -2.955 1.00 0.00 C ATOM 1488 C GLY A 98 29.886 -3.499 -4.047 1.00 0.00 C ATOM 1489 O GLY A 98 29.630 -3.881 -5.193 1.00 0.00 O ATOM 0 H GLY A 98 27.905 -5.054 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 98 28.673 -2.826 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.343 -4.430 -2.215 1.00 0.00 H new ATOM 1493 N PHE A 99 30.992 -2.894 -3.745 1.00 0.00 N ATOM 1494 CA PHE A 99 31.953 -2.624 -4.790 1.00 0.00 C ATOM 1495 C PHE A 99 33.374 -2.803 -4.349 1.00 0.00 C ATOM 1496 O PHE A 99 33.886 -2.057 -3.532 1.00 0.00 O ATOM 1497 CB PHE A 99 31.686 -1.311 -5.581 1.00 0.00 C ATOM 1498 CG PHE A 99 31.424 -0.058 -4.778 1.00 0.00 C ATOM 1499 CD1 PHE A 99 30.137 0.242 -4.345 1.00 0.00 C ATOM 1500 CD2 PHE A 99 32.443 0.834 -4.497 1.00 0.00 C ATOM 1501 CE1 PHE A 99 29.877 1.400 -3.644 1.00 0.00 C ATOM 1502 CE2 PHE A 99 32.189 1.994 -3.792 1.00 0.00 C ATOM 1503 CZ PHE A 99 30.903 2.277 -3.367 1.00 0.00 C ATOM 0 H PHE A 99 31.256 -2.581 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 99 31.790 -3.407 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 99 32.545 -1.125 -6.225 1.00 0.00 H new ATOM 0 HB3 PHE A 99 30.829 -1.479 -6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 99 29.330 -0.442 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 99 33.447 0.621 -4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 99 28.873 1.619 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 99 32.994 2.680 -3.572 1.00 0.00 H new ATOM 0 HZ PHE A 99 30.703 3.185 -2.818 1.00 0.00 H new ATOM 1513 N ASN A 100 33.957 -3.897 -4.851 1.00 0.00 N ATOM 1514 CA ASN A 100 35.355 -4.342 -4.594 1.00 0.00 C ATOM 1515 C ASN A 100 35.548 -4.766 -3.127 1.00 0.00 C ATOM 1516 O ASN A 100 36.639 -5.017 -2.678 1.00 0.00 O ATOM 1517 CB ASN A 100 36.399 -3.277 -4.999 1.00 0.00 C ATOM 1518 CG ASN A 100 37.785 -3.882 -5.210 1.00 0.00 C ATOM 1519 OD1 ASN A 100 37.906 -5.020 -5.659 1.00 0.00 O ATOM 1520 ND2 ASN A 100 38.819 -3.151 -4.876 1.00 0.00 N ATOM 0 H ASN A 100 33.458 -4.531 -5.475 1.00 0.00 H new ATOM 0 HA ASN A 100 35.523 -5.213 -5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 100 36.076 -2.784 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 100 36.453 -2.510 -4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 100 39.763 -3.522 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 100 38.681 -2.210 -4.506 1.00 0.00 H new ATOM 1527 N VAL A 101 34.455 -4.853 -2.403 1.00 0.00 N ATOM 1528 CA VAL A 101 34.502 -5.275 -1.019 1.00 0.00 C ATOM 1529 C VAL A 101 34.504 -6.787 -0.890 1.00 0.00 C ATOM 1530 O VAL A 101 35.328 -7.343 -0.168 1.00 0.00 O ATOM 1531 CB VAL A 101 33.381 -4.650 -0.159 1.00 0.00 C ATOM 1532 CG1 VAL A 101 33.691 -3.202 0.141 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.012 -4.758 -0.828 1.00 0.00 C ATOM 0 H VAL A 101 33.520 -4.637 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 101 35.447 -4.900 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 101 33.341 -5.215 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 101 32.891 -2.777 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 101 34.633 -3.137 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 101 33.772 -2.646 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.257 -4.305 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.033 -4.238 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 101 31.768 -5.808 -0.990 1.00 0.00 H new ATOM 1543 N ARG A 102 33.565 -7.442 -1.607 1.00 0.00 N ATOM 1544 CA ARG A 102 33.448 -8.921 -1.674 1.00 0.00 C ATOM 1545 C ARG A 102 32.893 -9.496 -0.361 1.00 0.00 C ATOM 1546 O ARG A 102 32.794 -8.781 0.637 1.00 0.00 O ATOM 1547 CB ARG A 102 34.800 -9.538 -2.059 1.00 0.00 C ATOM 1548 CG ARG A 102 35.321 -9.004 -3.382 1.00 0.00 C ATOM 1549 CD ARG A 102 36.820 -9.068 -3.453 1.00 0.00 C ATOM 1550 NE ARG A 102 37.431 -8.353 -2.311 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.500 -7.549 -2.359 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.137 -7.334 -3.500 1.00 0.00 N ATOM 1553 NH2 ARG A 102 38.914 -6.956 -1.246 1.00 0.00 N ATOM 0 H ARG A 102 32.859 -6.958 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 102 32.731 -9.185 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.528 -9.331 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.698 -10.621 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.893 -9.581 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 102 34.994 -7.973 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 102 37.145 -10.109 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.163 -8.628 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 102 36.995 -8.486 -1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.814 -7.784 -4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 102 39.950 -6.719 -3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 102 38.419 -7.116 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 102 39.727 -6.341 -1.268 1.00 0.00 H new ATOM 1566 N PRO A 103 32.421 -10.736 -0.352 1.00 0.00 N ATOM 1567 CA PRO A 103 31.914 -11.347 0.846 1.00 0.00 C ATOM 1568 C PRO A 103 32.934 -12.181 1.566 1.00 0.00 C ATOM 1569 O PRO A 103 34.022 -12.481 1.047 1.00 0.00 O ATOM 1570 CB PRO A 103 30.821 -12.282 0.331 1.00 0.00 C ATOM 1571 CG PRO A 103 30.966 -12.314 -1.168 1.00 0.00 C ATOM 1572 CD PRO A 103 32.265 -11.641 -1.491 1.00 0.00 C ATOM 0 HA PRO A 103 31.589 -10.585 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.932 -13.280 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.833 -11.922 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 103 30.960 -13.340 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.134 -11.799 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.088 -12.352 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.223 -11.103 -2.438 1.00 0.00 H new ATOM 1580 N ASP A 104 32.573 -12.544 2.751 1.00 0.00 N ATOM 1581 CA ASP A 104 33.317 -13.497 3.522 1.00 0.00 C ATOM 1582 C ASP A 104 32.949 -14.886 2.993 1.00 0.00 C ATOM 1583 O ASP A 104 31.896 -15.047 2.335 1.00 0.00 O ATOM 1584 CB ASP A 104 32.945 -13.372 5.012 1.00 0.00 C ATOM 1585 CG ASP A 104 33.698 -14.342 5.902 1.00 0.00 C ATOM 1586 OD1 ASP A 104 33.271 -15.498 6.034 1.00 0.00 O ATOM 1587 OD2 ASP A 104 34.740 -13.965 6.468 1.00 0.00 O ATOM 0 H ASP A 104 31.743 -12.185 3.222 1.00 0.00 H new ATOM 0 HA ASP A 104 34.389 -13.324 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 104 33.145 -12.354 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 104 31.874 -13.540 5.127 1.00 0.00 H new ATOM 1592 N ALA A 105 33.767 -15.873 3.275 1.00 0.00 N ATOM 1593 CA ALA A 105 33.536 -17.234 2.830 1.00 0.00 C ATOM 1594 C ALA A 105 32.251 -17.809 3.430 1.00 0.00 C ATOM 1595 O ALA A 105 31.660 -18.729 2.879 1.00 0.00 O ATOM 1596 CB ALA A 105 34.722 -18.117 3.175 1.00 0.00 C ATOM 0 H ALA A 105 34.619 -15.757 3.824 1.00 0.00 H new ATOM 0 HA ALA A 105 33.418 -17.212 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.530 -19.134 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.617 -17.732 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.872 -18.119 4.255 1.00 0.00 H new ATOM 1602 N ASN A 106 31.830 -17.282 4.556 1.00 0.00 N ATOM 1603 CA ASN A 106 30.585 -17.716 5.162 1.00 0.00 C ATOM 1604 C ASN A 106 29.446 -16.946 4.568 1.00 0.00 C ATOM 1605 O ASN A 106 28.394 -17.488 4.336 1.00 0.00 O ATOM 1606 CB ASN A 106 30.550 -17.484 6.659 1.00 0.00 C ATOM 1607 CG ASN A 106 31.662 -18.132 7.445 1.00 0.00 C ATOM 1608 OD1 ASN A 106 32.177 -19.195 7.078 1.00 0.00 O ATOM 1609 ND2 ASN A 106 32.020 -17.521 8.543 1.00 0.00 N ATOM 0 H ASN A 106 32.326 -16.555 5.072 1.00 0.00 H new ATOM 0 HA ASN A 106 30.503 -18.786 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 106 30.577 -16.410 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 106 29.597 -17.849 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 106 32.750 -17.919 9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 106 31.570 -16.646 8.810 1.00 0.00 H new ATOM 1616 N ALA A 107 29.664 -15.675 4.311 1.00 0.00 N ATOM 1617 CA ALA A 107 28.624 -14.824 3.757 1.00 0.00 C ATOM 1618 C ALA A 107 28.197 -15.295 2.379 1.00 0.00 C ATOM 1619 O ALA A 107 27.015 -15.348 2.073 1.00 0.00 O ATOM 1620 CB ALA A 107 29.060 -13.379 3.722 1.00 0.00 C ATOM 0 H ALA A 107 30.553 -15.203 4.476 1.00 0.00 H new ATOM 0 HA ALA A 107 27.759 -14.897 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.261 -12.768 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.282 -13.041 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.953 -13.283 3.104 1.00 0.00 H new ATOM 1626 N LYS A 108 29.161 -15.685 1.568 1.00 0.00 N ATOM 1627 CA LYS A 108 28.885 -16.195 0.223 1.00 0.00 C ATOM 1628 C LYS A 108 27.979 -17.462 0.279 1.00 0.00 C ATOM 1629 O LYS A 108 27.299 -17.800 -0.688 1.00 0.00 O ATOM 1630 CB LYS A 108 30.209 -16.487 -0.514 1.00 0.00 C ATOM 1631 CG LYS A 108 30.931 -17.756 -0.076 1.00 0.00 C ATOM 1632 CD LYS A 108 32.280 -17.917 -0.778 1.00 0.00 C ATOM 1633 CE LYS A 108 32.144 -17.970 -2.301 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.448 -18.167 -2.962 1.00 0.00 N ATOM 0 H LYS A 108 30.151 -15.661 1.812 1.00 0.00 H new ATOM 0 HA LYS A 108 28.342 -15.431 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 108 30.004 -16.556 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.880 -15.639 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 108 31.084 -17.732 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 108 30.305 -18.622 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 108 32.931 -17.087 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.762 -18.830 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 108 31.470 -18.781 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 108 31.692 -17.045 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 33.314 -18.197 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 34.083 -17.380 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 33.868 -19.063 -2.641 1.00 0.00 H new ATOM 1647 N ARG A 109 27.982 -18.125 1.424 1.00 0.00 N ATOM 1648 CA ARG A 109 27.237 -19.253 1.699 1.00 0.00 C ATOM 1649 C ARG A 109 25.879 -18.836 2.244 1.00 0.00 C ATOM 1650 O ARG A 109 24.826 -19.275 1.747 1.00 0.00 O ATOM 1651 CB ARG A 109 27.980 -19.969 2.783 1.00 0.00 C ATOM 1652 CG ARG A 109 29.226 -20.705 2.387 1.00 0.00 C ATOM 1653 CD ARG A 109 29.613 -21.741 3.431 1.00 0.00 C ATOM 1654 NE ARG A 109 30.027 -21.137 4.706 1.00 0.00 N ATOM 1655 CZ ARG A 109 29.416 -21.320 5.890 1.00 0.00 C ATOM 1656 NH1 ARG A 109 28.254 -21.968 5.955 1.00 0.00 N ATOM 1657 NH2 ARG A 109 29.966 -20.845 6.996 1.00 0.00 N ATOM 0 H ARG A 109 28.559 -17.835 2.214 1.00 0.00 H new ATOM 0 HA ARG A 109 27.092 -19.869 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 109 28.247 -19.240 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 109 27.298 -20.683 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 109 29.071 -21.195 1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 109 30.043 -19.996 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 109 28.768 -22.406 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 109 30.426 -22.354 3.044 1.00 0.00 H new ATOM 0 HE ARG A 109 30.846 -20.529 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 109 27.823 -22.329 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 109 27.795 -22.104 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 109 30.852 -20.341 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 109 29.504 -20.983 7.895 1.00 0.00 H new ATOM 1670 N ALA A 110 25.932 -17.977 3.265 1.00 0.00 N ATOM 1671 CA ALA A 110 24.774 -17.449 3.975 1.00 0.00 C ATOM 1672 C ALA A 110 23.779 -16.873 3.028 1.00 0.00 C ATOM 1673 O ALA A 110 22.637 -17.241 3.081 1.00 0.00 O ATOM 1674 CB ALA A 110 25.200 -16.403 4.996 1.00 0.00 C ATOM 0 H ALA A 110 26.815 -17.620 3.630 1.00 0.00 H new ATOM 0 HA ALA A 110 24.301 -18.278 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 110 24.321 -16.022 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.880 -16.855 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.705 -15.582 4.487 1.00 0.00 H new ATOM 1680 N ALA A 111 24.265 -16.058 2.085 1.00 0.00 N ATOM 1681 CA ALA A 111 23.429 -15.383 1.075 1.00 0.00 C ATOM 1682 C ALA A 111 22.505 -16.350 0.409 1.00 0.00 C ATOM 1683 O ALA A 111 21.308 -16.114 0.270 1.00 0.00 O ATOM 1684 CB ALA A 111 24.305 -14.733 0.008 1.00 0.00 C ATOM 0 H ALA A 111 25.258 -15.844 1.997 1.00 0.00 H new ATOM 0 HA ALA A 111 22.843 -14.622 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.673 -14.239 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 111 24.961 -13.998 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.907 -15.497 -0.483 1.00 0.00 H new ATOM 1690 N GLU A 112 23.040 -17.474 0.087 1.00 0.00 N ATOM 1691 CA GLU A 112 22.319 -18.438 -0.669 1.00 0.00 C ATOM 1692 C GLU A 112 21.408 -19.295 0.177 1.00 0.00 C ATOM 1693 O GLU A 112 20.399 -19.811 -0.298 1.00 0.00 O ATOM 1694 CB GLU A 112 23.250 -19.249 -1.508 1.00 0.00 C ATOM 1695 CG GLU A 112 23.896 -18.457 -2.630 1.00 0.00 C ATOM 1696 CD GLU A 112 24.525 -19.327 -3.677 1.00 0.00 C ATOM 1697 OE1 GLU A 112 23.778 -19.956 -4.449 1.00 0.00 O ATOM 1698 OE2 GLU A 112 25.764 -19.368 -3.787 1.00 0.00 O ATOM 0 H GLU A 112 23.988 -17.752 0.339 1.00 0.00 H new ATOM 0 HA GLU A 112 21.653 -17.892 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.031 -19.666 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.703 -20.090 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.144 -17.821 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.655 -17.797 -2.210 1.00 0.00 H new ATOM 1705 N SER A 113 21.723 -19.401 1.410 1.00 0.00 N ATOM 1706 CA SER A 113 20.900 -20.107 2.353 1.00 0.00 C ATOM 1707 C SER A 113 19.897 -19.097 2.926 1.00 0.00 C ATOM 1708 O SER A 113 19.114 -19.386 3.845 1.00 0.00 O ATOM 1709 CB SER A 113 21.809 -20.715 3.427 1.00 0.00 C ATOM 1710 OG SER A 113 21.099 -21.478 4.399 1.00 0.00 O ATOM 0 H SER A 113 22.569 -18.999 1.814 1.00 0.00 H new ATOM 0 HA SER A 113 20.343 -20.926 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.552 -21.352 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.352 -19.915 3.929 1.00 0.00 H new ATOM 0 HG SER A 113 20.235 -21.053 4.581 1.00 0.00 H new ATOM 1716 N GLU A 114 19.943 -17.920 2.355 1.00 0.00 N ATOM 1717 CA GLU A 114 19.128 -16.828 2.711 1.00 0.00 C ATOM 1718 C GLU A 114 18.389 -16.284 1.566 1.00 0.00 C ATOM 1719 O GLU A 114 17.883 -15.174 1.638 1.00 0.00 O ATOM 1720 CB GLU A 114 19.949 -15.768 3.344 1.00 0.00 C ATOM 1721 CG GLU A 114 20.101 -16.070 4.789 1.00 0.00 C ATOM 1722 CD GLU A 114 20.961 -15.171 5.616 1.00 0.00 C ATOM 1723 OE1 GLU A 114 20.492 -14.092 6.013 1.00 0.00 O ATOM 1724 OE2 GLU A 114 22.065 -15.609 6.011 1.00 0.00 O ATOM 0 H GLU A 114 20.587 -17.706 1.594 1.00 0.00 H new ATOM 0 HA GLU A 114 18.389 -17.193 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.927 -15.714 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.475 -14.795 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.106 -16.078 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.497 -17.082 4.877 1.00 0.00 H new ATOM 1731 N LYS A 115 18.329 -17.053 0.483 1.00 0.00 N ATOM 1732 CA LYS A 115 17.528 -16.724 -0.644 1.00 0.00 C ATOM 1733 C LYS A 115 17.970 -15.468 -1.402 1.00 0.00 C ATOM 1734 O LYS A 115 17.340 -15.085 -2.387 1.00 0.00 O ATOM 1735 CB LYS A 115 16.118 -16.601 -0.148 1.00 0.00 C ATOM 1736 CG LYS A 115 15.423 -17.924 0.103 1.00 0.00 C ATOM 1737 CD LYS A 115 14.062 -17.739 0.770 1.00 0.00 C ATOM 1738 CE LYS A 115 13.121 -16.876 -0.061 1.00 0.00 C ATOM 1739 NZ LYS A 115 11.798 -16.733 0.574 1.00 0.00 N ATOM 0 H LYS A 115 18.848 -17.926 0.383 1.00 0.00 H new ATOM 0 HA LYS A 115 17.632 -17.515 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.121 -16.025 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.538 -16.033 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.294 -18.451 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.054 -18.551 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.605 -18.715 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.200 -17.282 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.564 -15.890 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.003 -17.318 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.189 -16.139 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.364 -17.671 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.907 -16.288 1.508 1.00 0.00 H new ATOM 1752 N VAL A 116 19.049 -14.867 -1.000 1.00 0.00 N ATOM 1753 CA VAL A 116 19.477 -13.637 -1.608 1.00 0.00 C ATOM 1754 C VAL A 116 20.774 -13.803 -2.340 1.00 0.00 C ATOM 1755 O VAL A 116 21.429 -14.844 -2.241 1.00 0.00 O ATOM 1756 CB VAL A 116 19.556 -12.478 -0.586 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.164 -12.013 -0.215 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.298 -12.915 0.667 1.00 0.00 C ATOM 0 H VAL A 116 19.653 -15.207 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 116 18.715 -13.369 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 116 20.101 -11.654 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.233 -11.197 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.646 -11.666 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.610 -12.841 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.342 -12.085 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.774 -13.754 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.310 -13.220 0.402 1.00 0.00 H new ATOM 1768 N ASP A 117 21.128 -12.818 -3.099 1.00 0.00 N ATOM 1769 CA ASP A 117 22.356 -12.853 -3.831 1.00 0.00 C ATOM 1770 C ASP A 117 23.099 -11.571 -3.601 1.00 0.00 C ATOM 1771 O ASP A 117 22.501 -10.491 -3.532 1.00 0.00 O ATOM 1772 CB ASP A 117 22.119 -13.106 -5.326 1.00 0.00 C ATOM 1773 CG ASP A 117 23.395 -13.107 -6.157 1.00 0.00 C ATOM 1774 OD1 ASP A 117 24.311 -13.919 -5.879 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.477 -12.341 -7.141 1.00 0.00 O ATOM 0 H ASP A 117 20.578 -11.969 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 117 22.960 -13.686 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.616 -14.065 -5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.445 -12.341 -5.712 1.00 0.00 H new ATOM 1780 N ILE A 118 24.362 -11.698 -3.411 1.00 0.00 N ATOM 1781 CA ILE A 118 25.220 -10.590 -3.148 1.00 0.00 C ATOM 1782 C ILE A 118 26.084 -10.324 -4.375 1.00 0.00 C ATOM 1783 O ILE A 118 26.727 -11.235 -4.900 1.00 0.00 O ATOM 1784 CB ILE A 118 26.075 -10.896 -1.899 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.795 -12.248 -2.048 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.202 -10.880 -0.649 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.545 -12.681 -0.833 1.00 0.00 C ATOM 0 H ILE A 118 24.844 -12.596 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 118 24.638 -9.691 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 118 26.836 -10.122 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.059 -13.012 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.489 -12.187 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 118 25.815 -11.097 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 118 24.745 -9.897 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.421 -11.635 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.022 -13.642 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.306 -11.939 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 118 26.855 -12.778 0.005 1.00 0.00 H new ATOM 1799 N ARG A 119 26.095 -9.112 -4.854 1.00 0.00 N ATOM 1800 CA ARG A 119 26.826 -8.834 -6.067 1.00 0.00 C ATOM 1801 C ARG A 119 27.765 -7.655 -5.941 1.00 0.00 C ATOM 1802 O ARG A 119 27.439 -6.629 -5.330 1.00 0.00 O ATOM 1803 CB ARG A 119 25.887 -8.721 -7.275 1.00 0.00 C ATOM 1804 CG ARG A 119 24.780 -7.688 -7.159 1.00 0.00 C ATOM 1805 CD ARG A 119 23.826 -7.822 -8.333 1.00 0.00 C ATOM 1806 NE ARG A 119 22.733 -6.849 -8.292 1.00 0.00 N ATOM 1807 CZ ARG A 119 21.433 -7.144 -8.482 1.00 0.00 C ATOM 1808 NH1 ARG A 119 21.028 -8.403 -8.587 1.00 0.00 N ATOM 1809 NH2 ARG A 119 20.543 -6.175 -8.532 1.00 0.00 N ATOM 0 H ARG A 119 25.618 -8.313 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 119 27.473 -9.693 -6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 119 26.485 -8.487 -8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.431 -9.696 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 119 24.240 -7.824 -6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 119 25.207 -6.685 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 119 24.382 -7.698 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 119 23.409 -8.829 -8.343 1.00 0.00 H new ATOM 0 HE ARG A 119 22.974 -5.876 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 119 21.705 -9.163 -8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.040 -8.611 -8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.839 -5.205 -8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 119 19.557 -6.395 -8.676 1.00 0.00 H new ATOM 1822 N LEU A 120 28.950 -7.832 -6.479 1.00 0.00 N ATOM 1823 CA LEU A 120 29.986 -6.838 -6.446 1.00 0.00 C ATOM 1824 C LEU A 120 30.941 -6.999 -7.609 1.00 0.00 C ATOM 1825 O LEU A 120 31.036 -8.083 -8.193 1.00 0.00 O ATOM 1826 CB LEU A 120 30.783 -6.801 -5.075 1.00 0.00 C ATOM 1827 CG LEU A 120 31.317 -8.119 -4.404 1.00 0.00 C ATOM 1828 CD1 LEU A 120 30.193 -8.962 -3.823 1.00 0.00 C ATOM 1829 CD2 LEU A 120 32.161 -8.960 -5.351 1.00 0.00 C ATOM 0 H LEU A 120 29.221 -8.690 -6.960 1.00 0.00 H new ATOM 0 HA LEU A 120 29.476 -5.879 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.644 -6.150 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 120 30.137 -6.312 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 120 31.959 -7.790 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.610 -9.862 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 120 29.662 -8.387 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.501 -9.242 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 120 32.503 -9.857 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.562 -9.245 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 120 33.023 -8.381 -5.681 1.00 0.00 H new