USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 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 103 HIS : no HD1:sc= -1.37 K(o=-4.9,f=-6.7!) USER MOD Set 1.2: A 110 SER OG : rot -162:sc= -3.5! USER MOD Set 2.1: A 79 GLN : amide:sc= 0 X(o=0.43,f=0.33) USER MOD Set 2.2: A 84 THR OG1 : rot -49:sc= 0.432 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.646 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= -0.0359 USER MOD Set 3.3: A 57 MET CE :methyl -159:sc= -0.754 (180deg=-1.55!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 69 MET CE :methyl -140:sc= -2.12 (180deg=-5.58!) USER MOD Single : A 81 MET CE :methyl -150:sc= -2.21! (180deg=-5.16!) USER MOD Single : A 82 HIS : no HD1:sc= -6.36! C(o=-6.4!,f=-11!) USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= 0.321 (180deg=-0.451) USER MOD Single : A 90 THR OG1 : rot -90:sc= -2.74 USER MOD Single : A 92 MET CE :methyl 147:sc= -1.01 (180deg=-3.96!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 99 SER OG : rot 115:sc= 0.0022 USER MOD Single : A 104 MET CE :methyl -161:sc= -8.9! (180deg=-9.77!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 86:sc= 0.552 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.578 9.320 4.189 1.00 0.00 N ATOM 766 CA LEU A 53 1.794 9.059 4.949 1.00 0.00 C ATOM 767 C LEU A 53 2.566 7.887 4.351 1.00 0.00 C ATOM 768 O LEU A 53 1.980 6.870 3.976 1.00 0.00 O ATOM 769 CB LEU A 53 1.449 8.761 6.410 1.00 0.00 C ATOM 770 CG LEU A 53 2.096 9.676 7.464 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.442 9.125 7.901 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.252 11.095 6.948 1.00 0.00 C ATOM 0 HA LEU A 53 2.422 9.949 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.367 8.819 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.737 7.732 6.627 1.00 0.00 H new ATOM 0 HG LEU A 53 1.431 9.703 8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.882 9.788 8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.307 8.133 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.105 9.058 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.712 11.714 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.884 11.092 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.272 11.500 6.695 1.00 0.00 H new ATOM 784 N THR A 54 3.880 8.047 4.246 1.00 0.00 N ATOM 785 CA THR A 54 4.748 7.008 3.703 1.00 0.00 C ATOM 786 C THR A 54 6.208 7.340 3.978 1.00 0.00 C ATOM 787 O THR A 54 6.514 8.381 4.561 1.00 0.00 O ATOM 788 CB THR A 54 4.533 6.843 2.194 1.00 0.00 C ATOM 789 OG1 THR A 54 3.423 7.604 1.751 1.00 0.00 O ATOM 790 CG2 THR A 54 4.304 5.406 1.772 1.00 0.00 C ATOM 0 H THR A 54 4.371 8.894 4.532 1.00 0.00 H new ATOM 0 HA THR A 54 4.493 6.069 4.195 1.00 0.00 H new ATOM 0 HB THR A 54 5.457 7.196 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.308 7.483 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.159 5.362 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.170 4.804 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.418 5.017 2.273 1.00 0.00 H new ATOM 798 N ALA A 55 7.102 6.459 3.542 1.00 0.00 N ATOM 799 CA ALA A 55 8.536 6.650 3.746 1.00 0.00 C ATOM 800 C ALA A 55 8.971 8.068 3.392 1.00 0.00 C ATOM 801 O ALA A 55 9.745 8.685 4.123 1.00 0.00 O ATOM 802 CB ALA A 55 9.326 5.646 2.927 1.00 0.00 C ATOM 0 H ALA A 55 6.859 5.603 3.044 1.00 0.00 H new ATOM 0 HA ALA A 55 8.740 6.490 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.392 5.802 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.056 4.635 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.098 5.779 1.870 1.00 0.00 H new ATOM 808 N SER A 56 8.484 8.573 2.263 1.00 0.00 N ATOM 809 CA SER A 56 8.828 9.920 1.822 1.00 0.00 C ATOM 810 C SER A 56 8.462 10.946 2.887 1.00 0.00 C ATOM 811 O SER A 56 9.263 11.818 3.227 1.00 0.00 O ATOM 812 CB SER A 56 8.118 10.249 0.508 1.00 0.00 C ATOM 813 OG SER A 56 7.507 11.526 0.560 1.00 0.00 O ATOM 0 H SER A 56 7.852 8.072 1.639 1.00 0.00 H new ATOM 0 HA SER A 56 9.905 9.960 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.835 10.219 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.363 9.490 0.300 1.00 0.00 H new ATOM 0 HG SER A 56 7.062 11.711 -0.293 1.00 0.00 H new ATOM 819 N MET A 57 7.251 10.824 3.424 1.00 0.00 N ATOM 820 CA MET A 57 6.791 11.722 4.474 1.00 0.00 C ATOM 821 C MET A 57 7.737 11.655 5.664 1.00 0.00 C ATOM 822 O MET A 57 8.102 12.678 6.241 1.00 0.00 O ATOM 823 CB MET A 57 5.374 11.345 4.916 1.00 0.00 C ATOM 824 CG MET A 57 4.276 11.817 3.971 1.00 0.00 C ATOM 825 SD MET A 57 4.857 12.102 2.288 1.00 0.00 S ATOM 826 CE MET A 57 4.652 10.469 1.583 1.00 0.00 C ATOM 0 H MET A 57 6.573 10.113 3.149 1.00 0.00 H new ATOM 0 HA MET A 57 6.777 12.739 4.082 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.313 10.261 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.191 11.764 5.905 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.479 11.074 3.952 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.843 12.739 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.288 10.370 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.932 9.717 2.320 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.611 10.325 1.295 1.00 0.00 H new ATOM 836 N LEU A 58 8.150 10.439 6.003 1.00 0.00 N ATOM 837 CA LEU A 58 9.081 10.218 7.101 1.00 0.00 C ATOM 838 C LEU A 58 10.403 10.921 6.826 1.00 0.00 C ATOM 839 O LEU A 58 10.990 11.538 7.714 1.00 0.00 O ATOM 840 CB LEU A 58 9.328 8.718 7.288 1.00 0.00 C ATOM 841 CG LEU A 58 8.192 7.909 7.936 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.045 8.804 8.390 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.693 6.849 6.967 1.00 0.00 C ATOM 0 H LEU A 58 7.852 9.586 5.529 1.00 0.00 H new ATOM 0 HA LEU A 58 8.644 10.628 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.542 8.284 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.224 8.593 7.895 1.00 0.00 H new ATOM 0 HG LEU A 58 8.592 7.422 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.264 8.193 8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.412 9.523 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.637 9.337 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.888 6.280 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.321 7.329 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.512 6.177 6.710 1.00 0.00 H new ATOM 855 N ALA A 59 10.862 10.822 5.581 1.00 0.00 N ATOM 856 CA ALA A 59 12.119 11.439 5.174 1.00 0.00 C ATOM 857 C ALA A 59 12.083 12.955 5.355 1.00 0.00 C ATOM 858 O ALA A 59 13.123 13.611 5.370 1.00 0.00 O ATOM 859 CB ALA A 59 12.434 11.086 3.728 1.00 0.00 C ATOM 0 H ALA A 59 10.380 10.319 4.836 1.00 0.00 H new ATOM 0 HA ALA A 59 12.907 11.047 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.375 11.553 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.519 10.004 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.634 11.448 3.082 1.00 0.00 H new ATOM 865 N SER A 60 10.879 13.505 5.490 1.00 0.00 N ATOM 866 CA SER A 60 10.712 14.946 5.670 1.00 0.00 C ATOM 867 C SER A 60 11.216 15.391 7.040 1.00 0.00 C ATOM 868 O SER A 60 11.543 16.561 7.241 1.00 0.00 O ATOM 869 CB SER A 60 9.243 15.339 5.507 1.00 0.00 C ATOM 870 OG SER A 60 9.113 16.714 5.190 1.00 0.00 O ATOM 0 H SER A 60 10.006 12.977 5.478 1.00 0.00 H new ATOM 0 HA SER A 60 11.304 15.447 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.788 14.737 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.701 15.123 6.428 1.00 0.00 H new ATOM 0 HG SER A 60 8.164 16.938 5.090 1.00 0.00 H new ATOM 876 N ALA A 61 11.279 14.450 7.977 1.00 0.00 N ATOM 877 CA ALA A 61 11.741 14.743 9.331 1.00 0.00 C ATOM 878 C ALA A 61 12.753 13.698 9.798 1.00 0.00 C ATOM 879 O ALA A 61 12.486 12.936 10.727 1.00 0.00 O ATOM 880 CB ALA A 61 10.555 14.804 10.288 1.00 0.00 C ATOM 0 H ALA A 61 11.016 13.477 7.824 1.00 0.00 H new ATOM 0 HA ALA A 61 12.237 15.714 9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.911 15.023 11.295 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.869 15.588 9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.037 13.845 10.287 1.00 0.00 H new ATOM 946 N GLN A 66 11.089 10.845 11.984 1.00 0.00 N ATOM 947 CA GLN A 66 11.474 9.807 11.032 1.00 0.00 C ATOM 948 C GLN A 66 11.210 8.422 11.599 1.00 0.00 C ATOM 949 O GLN A 66 10.996 7.464 10.856 1.00 0.00 O ATOM 950 CB GLN A 66 12.951 9.933 10.675 1.00 0.00 C ATOM 951 CG GLN A 66 13.225 9.750 9.196 1.00 0.00 C ATOM 952 CD GLN A 66 14.461 8.913 8.925 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.449 8.030 8.067 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.535 9.188 9.655 1.00 0.00 N ATOM 0 HA GLN A 66 10.871 9.941 10.134 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.311 10.914 10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.519 9.192 11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.362 9.277 8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.345 10.728 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.500 9.929 10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.396 8.658 9.516 1.00 0.00 H new ATOM 963 N LYS A 67 11.254 8.322 12.920 1.00 0.00 N ATOM 964 CA LYS A 67 11.029 7.053 13.606 1.00 0.00 C ATOM 965 C LYS A 67 9.944 7.191 14.671 1.00 0.00 C ATOM 966 O LYS A 67 9.965 6.493 15.684 1.00 0.00 O ATOM 967 CB LYS A 67 12.330 6.561 14.244 1.00 0.00 C ATOM 968 CG LYS A 67 12.872 7.493 15.317 1.00 0.00 C ATOM 969 CD LYS A 67 13.316 6.724 16.551 1.00 0.00 C ATOM 970 CE LYS A 67 12.465 7.074 17.761 1.00 0.00 C ATOM 971 NZ LYS A 67 12.523 6.017 18.808 1.00 0.00 N ATOM 0 H LYS A 67 11.444 9.107 13.543 1.00 0.00 H new ATOM 0 HA LYS A 67 10.693 6.323 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.161 5.577 14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.083 6.439 13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.714 8.059 14.917 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.105 8.216 15.594 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.251 5.653 16.357 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.362 6.947 16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.805 8.020 18.182 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.431 7.218 17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.929 6.295 19.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.175 5.119 18.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.506 5.897 19.126 1.00 0.00 H new ATOM 985 N GLN A 68 8.986 8.083 14.427 1.00 0.00 N ATOM 986 CA GLN A 68 7.902 8.311 15.375 1.00 0.00 C ATOM 987 C GLN A 68 6.537 8.319 14.683 1.00 0.00 C ATOM 988 O GLN A 68 5.637 7.571 15.063 1.00 0.00 O ATOM 989 CB GLN A 68 8.119 9.635 16.109 1.00 0.00 C ATOM 990 CG GLN A 68 7.067 9.927 17.168 1.00 0.00 C ATOM 991 CD GLN A 68 7.578 10.846 18.260 1.00 0.00 C ATOM 992 OE1 GLN A 68 8.364 11.758 18.004 1.00 0.00 O ATOM 993 NE2 GLN A 68 7.131 10.610 19.488 1.00 0.00 N ATOM 0 H GLN A 68 8.940 8.656 13.585 1.00 0.00 H new ATOM 0 HA GLN A 68 7.910 7.489 16.091 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.102 9.622 16.580 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.125 10.447 15.382 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.196 10.381 16.694 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.735 8.989 17.613 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.480 9.843 19.655 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.439 11.196 20.264 1.00 0.00 H new ATOM 1002 N MET A 69 6.384 9.184 13.684 1.00 0.00 N ATOM 1003 CA MET A 69 5.111 9.325 12.978 1.00 0.00 C ATOM 1004 C MET A 69 4.913 8.241 11.918 1.00 0.00 C ATOM 1005 O MET A 69 4.225 8.454 10.920 1.00 0.00 O ATOM 1006 CB MET A 69 5.020 10.706 12.332 1.00 0.00 C ATOM 1007 CG MET A 69 5.947 10.891 11.140 1.00 0.00 C ATOM 1008 SD MET A 69 5.225 11.946 9.867 1.00 0.00 S ATOM 1009 CE MET A 69 6.618 12.162 8.761 1.00 0.00 C ATOM 0 H MET A 69 7.124 9.798 13.344 1.00 0.00 H new ATOM 0 HA MET A 69 4.317 9.210 13.716 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.993 10.879 12.011 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.252 11.463 13.081 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.888 11.326 11.478 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.182 9.917 10.711 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.644 13.192 8.405 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.543 11.938 9.293 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.516 11.487 7.911 1.00 0.00 H new ATOM 1019 N LEU A 70 5.517 7.081 12.135 1.00 0.00 N ATOM 1020 CA LEU A 70 5.380 5.963 11.205 1.00 0.00 C ATOM 1021 C LEU A 70 4.188 5.109 11.594 1.00 0.00 C ATOM 1022 O LEU A 70 3.364 4.745 10.757 1.00 0.00 O ATOM 1023 CB LEU A 70 6.653 5.111 11.201 1.00 0.00 C ATOM 1024 CG LEU A 70 7.733 5.577 12.172 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.821 4.526 12.316 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.310 6.900 11.703 1.00 0.00 C ATOM 0 H LEU A 70 6.106 6.887 12.945 1.00 0.00 H new ATOM 0 HA LEU A 70 5.223 6.361 10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.386 4.082 11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.067 5.105 10.193 1.00 0.00 H new ATOM 0 HG LEU A 70 7.285 5.722 13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.580 4.881 13.013 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.386 3.601 12.694 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.279 4.341 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.081 7.228 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.746 6.776 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.518 7.647 11.660 1.00 0.00 H new ATOM 1038 N GLY A 71 4.108 4.791 12.875 1.00 0.00 N ATOM 1039 CA GLY A 71 2.993 4.025 13.376 1.00 0.00 C ATOM 1040 C GLY A 71 2.105 4.869 14.262 1.00 0.00 C ATOM 1041 O GLY A 71 1.231 4.352 14.959 1.00 0.00 O ATOM 0 H GLY A 71 4.799 5.052 13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.412 3.634 12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.361 3.166 13.938 1.00 0.00 H new ATOM 1045 N GLU A 72 2.326 6.183 14.223 1.00 0.00 N ATOM 1046 CA GLU A 72 1.552 7.114 15.034 1.00 0.00 C ATOM 1047 C GLU A 72 0.953 8.237 14.188 1.00 0.00 C ATOM 1048 O GLU A 72 0.246 9.101 14.707 1.00 0.00 O ATOM 1049 CB GLU A 72 2.430 7.707 16.138 1.00 0.00 C ATOM 1050 CG GLU A 72 3.153 6.659 16.968 1.00 0.00 C ATOM 1051 CD GLU A 72 2.587 6.532 18.369 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.444 7.570 19.048 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.288 5.394 18.787 1.00 0.00 O ATOM 0 H GLU A 72 3.035 6.624 13.637 1.00 0.00 H new ATOM 0 HA GLU A 72 0.730 6.556 15.482 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.166 8.373 15.687 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.810 8.316 16.796 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.088 5.694 16.465 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.211 6.916 17.029 1.00 0.00 H new ATOM 1060 N ARG A 73 1.203 8.202 12.880 1.00 0.00 N ATOM 1061 CA ARG A 73 0.686 9.227 11.981 1.00 0.00 C ATOM 1062 C ARG A 73 -0.088 8.608 10.820 1.00 0.00 C ATOM 1063 O ARG A 73 -1.041 9.201 10.322 1.00 0.00 O ATOM 1064 CB ARG A 73 1.829 10.083 11.445 1.00 0.00 C ATOM 1065 CG ARG A 73 1.492 11.563 11.347 1.00 0.00 C ATOM 1066 CD ARG A 73 0.610 11.859 10.146 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.278 12.992 10.389 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.480 13.972 9.514 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.137 13.957 8.340 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.304 14.968 9.813 1.00 0.00 N ATOM 0 H ARG A 73 1.758 7.478 12.423 1.00 0.00 H new ATOM 0 HA ARG A 73 0.001 9.855 12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.698 9.959 12.092 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.112 9.718 10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.986 11.882 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.413 12.142 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.236 12.068 9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.016 10.977 9.906 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.771 13.034 11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.769 13.192 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.021 14.711 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.782 14.981 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.459 15.720 9.142 1.00 0.00 H new ATOM 1084 N LEU A 74 0.316 7.412 10.399 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.349 6.717 9.320 1.00 0.00 C ATOM 1086 C LEU A 74 -1.823 6.492 9.604 1.00 0.00 C ATOM 1087 O LEU A 74 -2.605 6.284 8.686 1.00 0.00 O ATOM 1088 CB LEU A 74 0.294 5.357 9.158 1.00 0.00 C ATOM 1089 CG LEU A 74 1.331 5.232 8.062 1.00 0.00 C ATOM 1090 CD1 LEU A 74 0.728 5.573 6.706 1.00 0.00 C ATOM 1091 CD2 LEU A 74 2.547 6.085 8.358 1.00 0.00 C ATOM 0 H LEU A 74 1.108 6.908 10.798 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.256 7.331 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.762 5.085 10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.493 4.627 8.969 1.00 0.00 H new ATOM 0 HG LEU A 74 1.663 4.194 8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.491 5.476 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.094 4.890 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.355 6.597 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.274 5.974 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.248 7.130 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.996 5.765 9.299 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.163 6.416 10.886 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.519 6.075 11.312 1.00 0.00 C ATOM 1105 C PHE A 75 -4.605 6.699 10.420 1.00 0.00 C ATOM 1106 O PHE A 75 -5.377 5.970 9.798 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.735 6.448 12.781 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.040 5.952 13.333 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.531 4.706 12.969 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.776 6.730 14.211 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.736 4.252 13.469 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.979 6.277 14.717 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.459 5.036 14.347 1.00 0.00 C ATOM 0 H PHE A 75 -1.514 6.587 11.654 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.617 4.995 11.204 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.918 6.040 13.376 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.694 7.532 12.883 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.966 4.086 12.289 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.405 7.701 14.503 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.113 3.284 13.173 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.544 6.893 15.401 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.398 4.679 14.743 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.702 8.044 10.338 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.722 8.701 9.504 1.00 0.00 C ATOM 1125 C PRO A 76 -5.562 8.368 8.023 1.00 0.00 C ATOM 1126 O PRO A 76 -6.469 8.594 7.224 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.484 10.195 9.746 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.082 10.285 10.241 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.848 9.027 11.026 1.00 0.00 C ATOM 0 HA PRO A 76 -6.728 8.373 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.617 10.770 8.829 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.187 10.594 10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.378 10.366 9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.943 11.168 10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.799 8.731 11.011 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.131 9.145 12.072 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.403 7.822 7.671 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.103 7.479 6.285 1.00 0.00 C ATOM 1139 C LEU A 77 -4.381 6.003 5.990 1.00 0.00 C ATOM 1140 O LEU A 77 -4.632 5.636 4.842 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.638 7.803 5.966 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.264 9.289 6.000 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.374 10.151 5.414 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.948 9.711 7.421 1.00 0.00 C ATOM 0 H LEU A 77 -3.654 7.607 8.329 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.758 8.077 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.004 7.271 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.406 7.411 4.976 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.376 9.434 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.079 11.200 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.551 9.861 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.288 10.010 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.683 10.768 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.821 9.547 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.112 9.122 7.798 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.318 5.154 7.016 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.568 3.726 6.827 1.00 0.00 C ATOM 1158 C ILE A 78 -6.041 3.469 6.546 1.00 0.00 C ATOM 1159 O ILE A 78 -6.387 2.707 5.647 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.161 2.881 8.042 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.790 3.310 8.574 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.162 1.408 7.665 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.633 2.869 7.706 1.00 0.00 C ATOM 0 H ILE A 78 -4.099 5.426 7.974 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.954 3.429 5.977 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.886 3.040 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.770 4.396 8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.656 2.903 9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.873 0.811 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.161 1.116 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.453 1.239 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.696 3.210 8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.626 1.781 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.742 3.298 6.710 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.901 4.099 7.341 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.345 3.969 7.177 1.00 0.00 C ATOM 1177 C GLN A 79 -8.743 4.217 5.727 1.00 0.00 C ATOM 1178 O GLN A 79 -9.828 3.836 5.287 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.056 4.970 8.085 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.450 4.397 9.437 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.370 5.316 10.214 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.414 5.737 9.716 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.986 5.634 11.445 1.00 0.00 N ATOM 0 H GLN A 79 -6.620 4.708 8.110 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.639 2.955 7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.406 5.831 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.951 5.333 7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.942 3.436 9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.551 4.209 10.024 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.113 5.262 11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.564 6.250 12.017 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.851 4.870 4.996 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.067 5.172 3.589 1.00 0.00 C ATOM 1194 C ALA A 80 -7.729 3.968 2.714 1.00 0.00 C ATOM 1195 O ALA A 80 -8.397 3.709 1.712 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.224 6.368 3.178 1.00 0.00 C ATOM 0 H ALA A 80 -6.959 5.205 5.361 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.121 5.411 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.392 6.587 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.505 7.234 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.170 6.142 3.338 1.00 0.00 H new ATOM 1202 N MET A 81 -6.679 3.244 3.093 1.00 0.00 N ATOM 1203 CA MET A 81 -6.246 2.067 2.341 1.00 0.00 C ATOM 1204 C MET A 81 -7.186 0.893 2.587 1.00 0.00 C ATOM 1205 O MET A 81 -7.468 0.105 1.684 1.00 0.00 O ATOM 1206 CB MET A 81 -4.820 1.677 2.740 1.00 0.00 C ATOM 1207 CG MET A 81 -3.972 2.851 3.196 1.00 0.00 C ATOM 1208 SD MET A 81 -2.375 2.922 2.363 1.00 0.00 S ATOM 1209 CE MET A 81 -1.319 2.195 3.612 1.00 0.00 C ATOM 0 H MET A 81 -6.112 3.450 3.915 1.00 0.00 H new ATOM 0 HA MET A 81 -6.267 2.316 1.280 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.865 0.940 3.541 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.333 1.196 1.891 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.514 3.778 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.813 2.783 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.317 2.616 3.531 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.724 2.409 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.272 1.116 3.465 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.657 0.783 3.823 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.557 -0.292 4.214 1.00 0.00 C ATOM 1221 C HIS A 82 -9.837 0.273 4.817 1.00 0.00 C ATOM 1222 O HIS A 82 -9.815 1.345 5.413 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.866 -1.194 5.238 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.111 -2.332 4.628 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.267 -3.617 5.083 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.207 -2.327 3.619 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.469 -4.364 4.343 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.800 -3.625 3.449 1.00 0.00 N ATOM 0 H HIS A 82 -7.428 1.431 4.576 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.813 -0.871 3.327 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.179 -0.592 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.616 -1.592 5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.872 -1.467 3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.369 -5.434 4.446 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.118 -3.963 2.771 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.971 -0.443 4.681 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.255 0.000 5.242 1.00 0.00 C ATOM 1238 C PRO A 83 -12.171 0.197 6.753 1.00 0.00 C ATOM 1239 O PRO A 83 -12.578 -0.673 7.523 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.219 -1.141 4.899 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.572 -1.870 3.771 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.092 -1.739 3.991 1.00 0.00 C ATOM 0 HA PRO A 83 -12.570 0.962 4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.374 -1.797 5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.198 -0.757 4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.874 -2.917 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.864 -1.443 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.700 -2.556 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.542 -1.748 3.050 1.00 0.00 H new ATOM 1250 N THR A 84 -11.621 1.342 7.160 1.00 0.00 N ATOM 1251 CA THR A 84 -11.432 1.671 8.572 1.00 0.00 C ATOM 1252 C THR A 84 -10.968 0.452 9.371 1.00 0.00 C ATOM 1253 O THR A 84 -11.344 0.271 10.530 1.00 0.00 O ATOM 1254 CB THR A 84 -12.720 2.253 9.172 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.469 2.796 10.457 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.846 1.250 9.310 1.00 0.00 C ATOM 0 H THR A 84 -11.295 2.066 6.520 1.00 0.00 H new ATOM 0 HA THR A 84 -10.650 2.428 8.634 1.00 0.00 H new ATOM 0 HB THR A 84 -13.037 3.020 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.967 2.148 10.994 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.719 1.740 9.741 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.101 0.852 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.529 0.435 9.961 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.129 -0.374 8.745 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.610 -1.576 9.388 1.00 0.00 C ATOM 1266 C LEU A 85 -8.361 -1.264 10.208 1.00 0.00 C ATOM 1267 O LEU A 85 -7.747 -2.161 10.785 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.286 -2.639 8.336 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.203 -3.866 8.348 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.542 -3.537 7.706 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.540 -5.033 7.635 1.00 0.00 C ATOM 0 H LEU A 85 -9.795 -0.230 7.792 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.378 -1.956 10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.335 -2.178 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.258 -2.971 8.482 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.381 -4.153 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.181 -4.420 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.023 -2.731 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.384 -3.224 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.206 -5.896 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.332 -4.757 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.606 -5.284 8.139 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.992 0.012 10.250 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.822 0.451 11.005 1.00 0.00 C ATOM 1285 C ALA A 86 -7.040 0.266 12.507 1.00 0.00 C ATOM 1286 O ALA A 86 -7.633 -0.724 12.939 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.508 1.903 10.678 1.00 0.00 C ATOM 0 H ALA A 86 -8.487 0.763 9.769 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.970 -0.165 10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.634 2.223 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.304 2.000 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.361 2.528 10.942 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.559 1.219 13.300 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.700 1.123 14.739 1.00 0.00 C ATOM 1295 C GLY A 87 -5.654 0.215 15.347 1.00 0.00 C ATOM 1296 O GLY A 87 -5.533 0.118 16.568 1.00 0.00 O ATOM 0 H GLY A 87 -6.075 2.054 12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.619 2.117 15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.694 0.747 14.983 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.894 -0.448 14.484 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.848 -1.358 14.923 1.00 0.00 C ATOM 1302 C LYS A 88 -2.850 -1.646 13.804 1.00 0.00 C ATOM 1303 O LYS A 88 -1.702 -1.991 14.074 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.461 -2.670 15.421 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.437 -3.766 15.671 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.630 -3.499 16.931 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.136 -3.543 16.655 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.351 -3.844 17.885 1.00 0.00 N ATOM 0 H LYS A 88 -4.985 -0.370 13.471 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.312 -0.875 15.740 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.008 -2.478 16.344 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.187 -3.023 14.688 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.945 -4.726 15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.765 -3.839 14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.898 -2.523 17.336 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.883 -4.239 17.690 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.929 -4.300 15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.815 -2.586 16.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.542 -3.311 17.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.901 -3.569 18.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.145 -4.863 17.925 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.285 -1.513 12.549 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.421 -1.798 11.413 1.00 0.00 C ATOM 1324 C ILE A 89 -1.067 -1.106 11.548 1.00 0.00 C ATOM 1325 O ILE A 89 -0.091 -1.723 11.958 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.069 -1.386 10.081 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.411 -2.100 9.901 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.128 -1.710 8.929 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.287 -1.494 8.827 1.00 0.00 C ATOM 0 H ILE A 89 -4.227 -1.211 12.300 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.270 -2.878 11.410 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.254 -0.312 10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.225 -3.146 9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.950 -2.084 10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.591 -1.416 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.193 -1.165 9.059 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.925 -2.781 8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.220 -2.054 8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.505 -0.456 9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.769 -1.535 7.869 1.00 0.00 H new ATOM 1341 N THR A 90 -1.013 0.172 11.185 1.00 0.00 N ATOM 1342 CA THR A 90 0.225 0.942 11.264 1.00 0.00 C ATOM 1343 C THR A 90 0.783 0.927 12.683 1.00 0.00 C ATOM 1344 O THR A 90 1.998 0.872 12.877 1.00 0.00 O ATOM 1345 CB THR A 90 -0.031 2.368 10.784 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.758 2.641 9.641 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.250 3.445 11.812 1.00 0.00 C ATOM 0 H THR A 90 -1.813 0.697 10.833 1.00 0.00 H new ATOM 0 HA THR A 90 0.973 0.485 10.617 1.00 0.00 H new ATOM 0 HB THR A 90 -1.098 2.404 10.567 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.621 3.011 9.920 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.040 4.424 11.381 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.384 3.289 12.685 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.297 3.398 12.111 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.105 0.975 13.671 1.00 0.00 N ATOM 1356 CA GLY A 91 0.337 0.900 15.049 1.00 0.00 C ATOM 1357 C GLY A 91 1.136 -0.363 15.279 1.00 0.00 C ATOM 1358 O GLY A 91 2.040 -0.405 16.114 1.00 0.00 O ATOM 0 H GLY A 91 -1.113 1.064 13.543 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.945 1.772 15.290 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.525 0.919 15.716 1.00 0.00 H new ATOM 1362 N MET A 92 0.818 -1.381 14.489 1.00 0.00 N ATOM 1363 CA MET A 92 1.529 -2.650 14.536 1.00 0.00 C ATOM 1364 C MET A 92 2.857 -2.520 13.823 1.00 0.00 C ATOM 1365 O MET A 92 3.848 -3.139 14.201 1.00 0.00 O ATOM 1366 CB MET A 92 0.711 -3.744 13.854 1.00 0.00 C ATOM 1367 CG MET A 92 0.889 -5.111 14.484 1.00 0.00 C ATOM 1368 SD MET A 92 -0.599 -6.120 14.392 1.00 0.00 S ATOM 1369 CE MET A 92 -0.924 -6.055 12.635 1.00 0.00 C ATOM 0 H MET A 92 0.065 -1.350 13.802 1.00 0.00 H new ATOM 0 HA MET A 92 1.690 -2.915 15.581 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.344 -3.472 13.886 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.994 -3.797 12.803 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.707 -5.632 13.986 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.177 -4.990 15.528 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.371 -6.995 12.313 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.610 -5.235 12.422 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.011 -5.895 12.098 1.00 0.00 H new ATOM 1379 N LEU A 93 2.848 -1.714 12.773 1.00 0.00 N ATOM 1380 CA LEU A 93 4.022 -1.496 11.945 1.00 0.00 C ATOM 1381 C LEU A 93 5.189 -0.958 12.759 1.00 0.00 C ATOM 1382 O LEU A 93 6.315 -0.874 12.270 1.00 0.00 O ATOM 1383 CB LEU A 93 3.670 -0.533 10.821 1.00 0.00 C ATOM 1384 CG LEU A 93 3.085 -1.187 9.566 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.137 -2.038 8.875 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.868 -2.026 9.918 1.00 0.00 C ATOM 0 H LEU A 93 2.025 -1.192 12.471 1.00 0.00 H new ATOM 0 HA LEU A 93 4.333 -2.453 11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.954 0.197 11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.568 0.017 10.540 1.00 0.00 H new ATOM 0 HG LEU A 93 2.771 -0.400 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.707 -2.497 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.981 -1.411 8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.479 -2.818 9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.467 -2.482 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.156 -2.807 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.107 -1.391 10.372 1.00 0.00 H new ATOM 1398 N LEU A 94 4.915 -0.594 14.003 1.00 0.00 N ATOM 1399 CA LEU A 94 5.955 -0.131 14.902 1.00 0.00 C ATOM 1400 C LEU A 94 6.281 -1.234 15.895 1.00 0.00 C ATOM 1401 O LEU A 94 6.706 -0.974 17.020 1.00 0.00 O ATOM 1402 CB LEU A 94 5.500 1.132 15.635 1.00 0.00 C ATOM 1403 CG LEU A 94 6.056 2.449 15.079 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.499 2.647 15.519 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.948 2.485 13.560 1.00 0.00 C ATOM 0 H LEU A 94 3.980 -0.611 14.411 1.00 0.00 H new ATOM 0 HA LEU A 94 6.849 0.114 14.329 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.411 1.176 15.607 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.789 1.048 16.683 1.00 0.00 H new ATOM 0 HG LEU A 94 5.458 3.267 15.480 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.877 3.586 15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.547 2.675 16.608 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.108 1.822 15.150 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.349 3.428 13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.516 1.657 13.135 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.902 2.395 13.267 1.00 0.00 H new ATOM 1417 N GLU A 95 6.045 -2.475 15.468 1.00 0.00 N ATOM 1418 CA GLU A 95 6.273 -3.635 16.321 1.00 0.00 C ATOM 1419 C GLU A 95 6.136 -4.949 15.551 1.00 0.00 C ATOM 1420 O GLU A 95 6.281 -6.025 16.132 1.00 0.00 O ATOM 1421 CB GLU A 95 5.282 -3.623 17.487 1.00 0.00 C ATOM 1422 CG GLU A 95 3.871 -4.037 17.095 1.00 0.00 C ATOM 1423 CD GLU A 95 2.973 -4.255 18.296 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.408 -3.263 18.803 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.837 -5.417 18.734 1.00 0.00 O ATOM 0 H GLU A 95 5.696 -2.700 14.536 1.00 0.00 H new ATOM 0 HA GLU A 95 7.295 -3.571 16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.644 -4.293 18.267 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.251 -2.621 17.916 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.436 -3.270 16.455 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.915 -4.954 16.508 1.00 0.00 H new ATOM 1432 N ILE A 96 5.859 -4.869 14.248 1.00 0.00 N ATOM 1433 CA ILE A 96 5.694 -6.079 13.436 1.00 0.00 C ATOM 1434 C ILE A 96 6.986 -6.894 13.367 1.00 0.00 C ATOM 1435 O ILE A 96 7.808 -6.874 14.283 1.00 0.00 O ATOM 1436 CB ILE A 96 5.274 -5.767 11.983 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.411 -5.082 11.226 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.008 -4.937 11.921 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.707 -3.682 11.686 1.00 0.00 C ATOM 0 H ILE A 96 5.745 -3.993 13.737 1.00 0.00 H new ATOM 0 HA ILE A 96 4.907 -6.646 13.932 1.00 0.00 H new ATOM 0 HB ILE A 96 5.058 -6.719 11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.314 -5.684 11.328 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.162 -5.058 10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.751 -4.742 10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.193 -5.480 12.400 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.167 -3.991 12.438 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.526 -3.271 11.096 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.820 -3.062 11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.990 -3.697 12.739 1.00 0.00 H new ATOM 1451 N ASP A 97 7.165 -7.572 12.232 1.00 0.00 N ATOM 1452 CA ASP A 97 8.366 -8.336 11.949 1.00 0.00 C ATOM 1453 C ASP A 97 9.611 -7.467 12.100 1.00 0.00 C ATOM 1454 O ASP A 97 10.738 -7.963 12.045 1.00 0.00 O ATOM 1455 CB ASP A 97 8.281 -8.865 10.519 1.00 0.00 C ATOM 1456 CG ASP A 97 9.159 -10.079 10.291 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.202 -10.958 11.177 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.807 -10.152 9.225 1.00 0.00 O ATOM 0 H ASP A 97 6.473 -7.602 11.484 1.00 0.00 H new ATOM 0 HA ASP A 97 8.440 -9.162 12.657 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.246 -9.122 10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.572 -8.076 9.826 1.00 0.00 H new ATOM 1463 N ASN A 98 9.381 -6.163 12.254 1.00 0.00 N ATOM 1464 CA ASN A 98 10.441 -5.174 12.411 1.00 0.00 C ATOM 1465 C ASN A 98 11.061 -4.814 11.066 1.00 0.00 C ATOM 1466 O ASN A 98 11.641 -3.739 10.911 1.00 0.00 O ATOM 1467 CB ASN A 98 11.519 -5.655 13.388 1.00 0.00 C ATOM 1468 CG ASN A 98 11.276 -5.162 14.800 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.311 -5.562 15.453 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.152 -4.286 15.281 1.00 0.00 N ATOM 0 H ASN A 98 8.443 -5.762 12.273 1.00 0.00 H new ATOM 0 HA ASN A 98 9.986 -4.276 12.830 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.548 -6.745 13.386 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.495 -5.309 13.048 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.039 -3.918 16.226 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.937 -3.982 14.706 1.00 0.00 H new ATOM 1477 N SER A 99 10.915 -5.703 10.091 1.00 0.00 N ATOM 1478 CA SER A 99 11.417 -5.441 8.750 1.00 0.00 C ATOM 1479 C SER A 99 10.464 -4.507 8.016 1.00 0.00 C ATOM 1480 O SER A 99 10.863 -3.777 7.111 1.00 0.00 O ATOM 1481 CB SER A 99 11.587 -6.743 7.968 1.00 0.00 C ATOM 1482 OG SER A 99 12.125 -7.767 8.788 1.00 0.00 O ATOM 0 H SER A 99 10.455 -6.607 10.204 1.00 0.00 H new ATOM 0 HA SER A 99 12.394 -4.965 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.623 -7.060 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.243 -6.575 7.114 1.00 0.00 H new ATOM 0 HG SER A 99 11.463 -8.482 8.895 1.00 0.00 H new ATOM 1488 N GLU A 100 9.202 -4.528 8.436 1.00 0.00 N ATOM 1489 CA GLU A 100 8.191 -3.647 7.867 1.00 0.00 C ATOM 1490 C GLU A 100 8.330 -2.254 8.458 1.00 0.00 C ATOM 1491 O GLU A 100 7.955 -1.262 7.837 1.00 0.00 O ATOM 1492 CB GLU A 100 6.794 -4.193 8.134 1.00 0.00 C ATOM 1493 CG GLU A 100 6.523 -5.528 7.473 1.00 0.00 C ATOM 1494 CD GLU A 100 7.030 -6.701 8.283 1.00 0.00 C ATOM 1495 OE1 GLU A 100 8.210 -7.072 8.114 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.243 -7.257 9.077 1.00 0.00 O ATOM 0 H GLU A 100 8.856 -5.147 9.169 1.00 0.00 H new ATOM 0 HA GLU A 100 8.340 -3.595 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.654 -4.296 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.058 -3.469 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.450 -5.638 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.992 -5.542 6.489 1.00 0.00 H new ATOM 1503 N LEU A 101 8.892 -2.193 9.661 1.00 0.00 N ATOM 1504 CA LEU A 101 9.119 -0.926 10.335 1.00 0.00 C ATOM 1505 C LEU A 101 10.295 -0.197 9.697 1.00 0.00 C ATOM 1506 O LEU A 101 10.369 1.029 9.719 1.00 0.00 O ATOM 1507 CB LEU A 101 9.380 -1.162 11.828 1.00 0.00 C ATOM 1508 CG LEU A 101 10.190 -0.071 12.535 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.279 1.053 12.997 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.959 -0.657 13.709 1.00 0.00 C ATOM 0 H LEU A 101 9.198 -3.011 10.188 1.00 0.00 H new ATOM 0 HA LEU A 101 8.229 -0.306 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.421 -1.264 12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.904 -2.111 11.942 1.00 0.00 H new ATOM 0 HG LEU A 101 10.908 0.341 11.826 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.871 1.819 13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.774 1.490 12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.537 0.658 13.691 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.529 0.131 14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.259 -1.096 14.420 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.641 -1.427 13.349 1.00 0.00 H new ATOM 1522 N LEU A 102 11.204 -0.971 9.117 1.00 0.00 N ATOM 1523 CA LEU A 102 12.376 -0.417 8.455 1.00 0.00 C ATOM 1524 C LEU A 102 12.078 -0.109 6.997 1.00 0.00 C ATOM 1525 O LEU A 102 12.442 0.951 6.484 1.00 0.00 O ATOM 1526 CB LEU A 102 13.535 -1.408 8.532 1.00 0.00 C ATOM 1527 CG LEU A 102 14.566 -1.121 9.626 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.954 -1.321 11.005 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.789 -2.007 9.451 1.00 0.00 C ATOM 0 H LEU A 102 11.150 -1.989 9.092 1.00 0.00 H new ATOM 0 HA LEU A 102 12.647 0.508 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.128 -2.407 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.045 -1.422 7.569 1.00 0.00 H new ATOM 0 HG LEU A 102 14.879 -0.081 9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.703 -1.112 11.769 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.109 -0.644 11.130 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.611 -2.351 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.512 -1.789 10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.491 -3.054 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.242 -1.814 8.479 1.00 0.00 H new ATOM 1541 N HIS A 103 11.433 -1.055 6.327 1.00 0.00 N ATOM 1542 CA HIS A 103 11.106 -0.900 4.921 1.00 0.00 C ATOM 1543 C HIS A 103 10.160 0.271 4.703 1.00 0.00 C ATOM 1544 O HIS A 103 10.379 1.087 3.814 1.00 0.00 O ATOM 1545 CB HIS A 103 10.478 -2.186 4.381 1.00 0.00 C ATOM 1546 CG HIS A 103 10.923 -2.532 2.994 1.00 0.00 C ATOM 1547 ND1 HIS A 103 10.864 -1.616 1.973 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.423 -3.698 2.516 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.325 -2.236 0.902 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.676 -3.499 1.183 1.00 0.00 N ATOM 0 H HIS A 103 11.127 -1.937 6.737 1.00 0.00 H new ATOM 0 HA HIS A 103 12.030 -0.697 4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.726 -3.010 5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.393 -2.083 4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.590 -4.606 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.409 -1.784 -0.075 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.059 -4.182 0.529 1.00 0.00 H new ATOM 1558 N MET A 104 9.107 0.344 5.518 1.00 0.00 N ATOM 1559 CA MET A 104 8.110 1.407 5.394 1.00 0.00 C ATOM 1560 C MET A 104 8.760 2.787 5.393 1.00 0.00 C ATOM 1561 O MET A 104 8.275 3.705 4.737 1.00 0.00 O ATOM 1562 CB MET A 104 7.105 1.330 6.543 1.00 0.00 C ATOM 1563 CG MET A 104 7.704 1.758 7.864 1.00 0.00 C ATOM 1564 SD MET A 104 6.777 1.154 9.286 1.00 0.00 S ATOM 1565 CE MET A 104 5.098 1.414 8.725 1.00 0.00 C ATOM 0 H MET A 104 8.923 -0.320 6.270 1.00 0.00 H new ATOM 0 HA MET A 104 7.598 1.262 4.443 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.247 1.962 6.314 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.734 0.309 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.730 1.396 7.926 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.747 2.846 7.901 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.424 1.416 9.582 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.031 2.372 8.209 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.814 0.613 8.042 1.00 0.00 H new ATOM 1575 N LEU A 105 9.826 2.938 6.173 1.00 0.00 N ATOM 1576 CA LEU A 105 10.520 4.215 6.282 1.00 0.00 C ATOM 1577 C LEU A 105 11.511 4.392 5.149 1.00 0.00 C ATOM 1578 O LEU A 105 12.052 5.480 4.948 1.00 0.00 O ATOM 1579 CB LEU A 105 11.263 4.306 7.615 1.00 0.00 C ATOM 1580 CG LEU A 105 10.448 3.904 8.841 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.321 3.914 10.088 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.260 4.833 9.010 1.00 0.00 C ATOM 0 H LEU A 105 10.228 2.191 6.739 1.00 0.00 H new ATOM 0 HA LEU A 105 9.771 5.005 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.148 3.672 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.611 5.330 7.750 1.00 0.00 H new ATOM 0 HG LEU A 105 10.075 2.890 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.724 3.625 10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.143 3.209 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.723 4.915 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.687 4.535 9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.613 5.856 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.625 4.776 8.126 1.00 0.00 H new ATOM 1594 N GLU A 106 11.764 3.314 4.424 1.00 0.00 N ATOM 1595 CA GLU A 106 12.749 3.347 3.358 1.00 0.00 C ATOM 1596 C GLU A 106 12.110 3.294 1.970 1.00 0.00 C ATOM 1597 O GLU A 106 12.786 3.526 0.968 1.00 0.00 O ATOM 1598 CB GLU A 106 13.744 2.191 3.535 1.00 0.00 C ATOM 1599 CG GLU A 106 13.432 0.963 2.691 1.00 0.00 C ATOM 1600 CD GLU A 106 14.368 0.816 1.507 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.349 1.585 1.424 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.120 -0.069 0.661 1.00 0.00 O ATOM 0 H GLU A 106 11.304 2.413 4.553 1.00 0.00 H new ATOM 0 HA GLU A 106 13.276 4.299 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.744 2.546 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.763 1.901 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.498 0.072 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.405 1.025 2.332 1.00 0.00 H new ATOM 1609 N SER A 107 10.815 2.991 1.903 1.00 0.00 N ATOM 1610 CA SER A 107 10.141 2.899 0.609 1.00 0.00 C ATOM 1611 C SER A 107 8.735 3.499 0.652 1.00 0.00 C ATOM 1612 O SER A 107 7.978 3.268 1.594 1.00 0.00 O ATOM 1613 CB SER A 107 10.070 1.439 0.160 1.00 0.00 C ATOM 1614 OG SER A 107 10.245 1.325 -1.242 1.00 0.00 O ATOM 0 H SER A 107 10.221 2.808 2.712 1.00 0.00 H new ATOM 0 HA SER A 107 10.725 3.477 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.838 0.860 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.107 1.015 0.445 1.00 0.00 H new ATOM 0 HG SER A 107 10.197 0.381 -1.502 1.00 0.00 H new ATOM 1620 N PRO A 108 8.358 4.272 -0.388 1.00 0.00 N ATOM 1621 CA PRO A 108 7.036 4.897 -0.478 1.00 0.00 C ATOM 1622 C PRO A 108 5.947 3.881 -0.806 1.00 0.00 C ATOM 1623 O PRO A 108 4.779 4.234 -0.971 1.00 0.00 O ATOM 1624 CB PRO A 108 7.178 5.912 -1.625 1.00 0.00 C ATOM 1625 CG PRO A 108 8.631 5.930 -1.979 1.00 0.00 C ATOM 1626 CD PRO A 108 9.184 4.601 -1.556 1.00 0.00 C ATOM 0 HA PRO A 108 6.741 5.352 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.571 5.620 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.839 6.901 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.769 6.086 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.145 6.745 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.090 3.853 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.242 4.664 -1.301 1.00 0.00 H new ATOM 1634 N GLU A 109 6.344 2.618 -0.910 1.00 0.00 N ATOM 1635 CA GLU A 109 5.414 1.539 -1.216 1.00 0.00 C ATOM 1636 C GLU A 109 5.428 0.495 -0.114 1.00 0.00 C ATOM 1637 O GLU A 109 4.533 -0.341 -0.031 1.00 0.00 O ATOM 1638 CB GLU A 109 5.785 0.887 -2.546 1.00 0.00 C ATOM 1639 CG GLU A 109 5.808 1.857 -3.716 1.00 0.00 C ATOM 1640 CD GLU A 109 6.273 1.207 -5.004 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.207 0.379 -4.949 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.702 1.525 -6.068 1.00 0.00 O ATOM 0 H GLU A 109 7.310 2.315 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 109 4.411 1.960 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.766 0.422 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.074 0.089 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.809 2.269 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.466 2.693 -3.477 1.00 0.00 H new ATOM 1649 N SER A 110 6.456 0.539 0.724 1.00 0.00 N ATOM 1650 CA SER A 110 6.566 -0.389 1.838 1.00 0.00 C ATOM 1651 C SER A 110 5.592 -0.001 2.928 1.00 0.00 C ATOM 1652 O SER A 110 4.790 -0.813 3.377 1.00 0.00 O ATOM 1653 CB SER A 110 7.981 -0.385 2.397 1.00 0.00 C ATOM 1654 OG SER A 110 8.488 0.931 2.433 1.00 0.00 O ATOM 0 H SER A 110 7.224 1.207 0.652 1.00 0.00 H new ATOM 0 HA SER A 110 6.331 -1.391 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.984 -0.811 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.625 -1.014 1.781 1.00 0.00 H new ATOM 0 HG SER A 110 9.464 0.903 2.515 1.00 0.00 H new ATOM 1660 N LEU A 111 5.639 1.263 3.313 1.00 0.00 N ATOM 1661 CA LEU A 111 4.728 1.785 4.307 1.00 0.00 C ATOM 1662 C LEU A 111 3.309 1.336 3.976 1.00 0.00 C ATOM 1663 O LEU A 111 2.550 0.932 4.854 1.00 0.00 O ATOM 1664 CB LEU A 111 4.830 3.317 4.316 1.00 0.00 C ATOM 1665 CG LEU A 111 4.296 4.046 5.558 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.052 3.377 6.110 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.363 4.135 6.632 1.00 0.00 C ATOM 0 H LEU A 111 6.303 1.946 2.948 1.00 0.00 H new ATOM 0 HA LEU A 111 4.986 1.408 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.878 3.587 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.296 3.697 3.445 1.00 0.00 H new ATOM 0 HG LEU A 111 4.024 5.055 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.705 3.922 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.271 3.378 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.285 2.350 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.961 4.655 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.673 3.131 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.223 4.683 6.246 1.00 0.00 H new ATOM 1679 N ARG A 112 2.986 1.327 2.691 1.00 0.00 N ATOM 1680 CA ARG A 112 1.665 0.913 2.249 1.00 0.00 C ATOM 1681 C ARG A 112 1.554 -0.609 2.187 1.00 0.00 C ATOM 1682 O ARG A 112 0.784 -1.207 2.933 1.00 0.00 O ATOM 1683 CB ARG A 112 1.345 1.535 0.888 1.00 0.00 C ATOM 1684 CG ARG A 112 0.495 0.656 -0.011 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.034 1.431 -1.206 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.806 0.586 -2.113 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.356 1.026 -3.240 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -1.218 2.296 -3.597 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.045 0.197 -4.012 1.00 0.00 N ATOM 0 H ARG A 112 3.619 1.601 1.939 1.00 0.00 H new ATOM 0 HA ARG A 112 0.935 1.268 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.829 2.482 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.280 1.763 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.086 -0.191 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.340 0.250 0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.660 2.252 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.801 1.875 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.930 -0.396 -1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.689 2.937 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.641 2.631 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.154 -0.780 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.466 0.537 -4.877 1.00 0.00 H new ATOM 1703 N SER A 113 2.318 -1.225 1.289 1.00 0.00 N ATOM 1704 CA SER A 113 2.289 -2.676 1.113 1.00 0.00 C ATOM 1705 C SER A 113 2.378 -3.396 2.453 1.00 0.00 C ATOM 1706 O SER A 113 1.527 -4.222 2.782 1.00 0.00 O ATOM 1707 CB SER A 113 3.439 -3.123 0.208 1.00 0.00 C ATOM 1708 OG SER A 113 3.276 -2.625 -1.109 1.00 0.00 O ATOM 0 H SER A 113 2.967 -0.741 0.669 1.00 0.00 H new ATOM 0 HA SER A 113 1.339 -2.937 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.386 -2.772 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.486 -4.212 0.185 1.00 0.00 H new ATOM 0 HG SER A 113 3.653 -1.722 -1.166 1.00 0.00 H new ATOM 1714 N LYS A 114 3.410 -3.074 3.224 1.00 0.00 N ATOM 1715 CA LYS A 114 3.614 -3.690 4.528 1.00 0.00 C ATOM 1716 C LYS A 114 2.419 -3.444 5.446 1.00 0.00 C ATOM 1717 O LYS A 114 2.089 -4.291 6.273 1.00 0.00 O ATOM 1718 CB LYS A 114 4.894 -3.159 5.180 1.00 0.00 C ATOM 1719 CG LYS A 114 6.132 -3.306 4.307 1.00 0.00 C ATOM 1720 CD LYS A 114 6.453 -4.766 4.027 1.00 0.00 C ATOM 1721 CE LYS A 114 6.810 -4.986 2.565 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.348 -6.315 2.075 1.00 0.00 N ATOM 0 H LYS A 114 4.120 -2.388 2.967 1.00 0.00 H new ATOM 0 HA LYS A 114 3.714 -4.765 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.756 -2.106 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.058 -3.686 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.977 -2.780 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.982 -2.834 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.283 -5.085 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.596 -5.386 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.361 -4.199 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.890 -4.908 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.610 -6.427 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.796 -7.067 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.315 -6.380 2.171 1.00 0.00 H new ATOM 1736 N VAL A 115 1.771 -2.287 5.300 1.00 0.00 N ATOM 1737 CA VAL A 115 0.601 -1.974 6.115 1.00 0.00 C ATOM 1738 C VAL A 115 -0.578 -2.850 5.693 1.00 0.00 C ATOM 1739 O VAL A 115 -1.132 -3.586 6.507 1.00 0.00 O ATOM 1740 CB VAL A 115 0.227 -0.473 6.031 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.281 -0.268 6.035 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.861 0.295 7.180 1.00 0.00 C ATOM 0 H VAL A 115 2.034 -1.561 4.633 1.00 0.00 H new ATOM 0 HA VAL A 115 0.848 -2.186 7.155 1.00 0.00 H new ATOM 0 HB VAL A 115 0.614 -0.090 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.504 0.797 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.720 -0.779 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.701 -0.675 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.589 1.348 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.504 -0.108 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.945 0.196 7.129 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.913 -2.808 4.404 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.995 -3.625 3.859 1.00 0.00 C ATOM 1754 C ASP A 116 -1.811 -5.091 4.234 1.00 0.00 C ATOM 1755 O ASP A 116 -2.774 -5.787 4.558 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.040 -3.480 2.337 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.339 -2.873 1.846 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.606 -1.698 2.172 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.084 -3.570 1.125 1.00 0.00 O ATOM 0 H ASP A 116 -0.449 -2.215 3.716 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.936 -3.277 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.207 -2.858 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.905 -4.460 1.879 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.565 -5.554 4.186 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.249 -6.930 4.542 1.00 0.00 C ATOM 1766 C GLU A 117 -0.333 -7.116 6.048 1.00 0.00 C ATOM 1767 O GLU A 117 -0.747 -8.169 6.532 1.00 0.00 O ATOM 1768 CB GLU A 117 1.149 -7.303 4.044 1.00 0.00 C ATOM 1769 CG GLU A 117 1.167 -7.819 2.615 1.00 0.00 C ATOM 1770 CD GLU A 117 1.858 -9.162 2.489 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.102 -9.202 2.595 1.00 0.00 O ATOM 1772 OE2 GLU A 117 1.156 -10.175 2.288 1.00 0.00 O ATOM 0 H GLU A 117 0.240 -4.995 3.904 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.976 -7.587 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.796 -6.429 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.569 -8.064 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.143 -7.906 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.672 -7.094 1.977 1.00 0.00 H new ATOM 1779 N ALA A 118 0.049 -6.077 6.786 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.025 -6.115 8.237 1.00 0.00 C ATOM 1781 C ALA A 118 -1.477 -6.173 8.681 1.00 0.00 C ATOM 1782 O ALA A 118 -1.782 -6.657 9.768 1.00 0.00 O ATOM 1783 CB ALA A 118 0.681 -4.919 8.849 1.00 0.00 C ATOM 0 H ALA A 118 0.411 -5.204 6.402 1.00 0.00 H new ATOM 0 HA ALA A 118 0.484 -7.013 8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.611 -4.972 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.730 -4.925 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.210 -4.000 8.499 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.371 -5.692 7.822 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.796 -5.757 8.098 1.00 0.00 C ATOM 1791 C VAL A 119 -4.231 -7.202 8.174 1.00 0.00 C ATOM 1792 O VAL A 119 -4.855 -7.628 9.143 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.626 -5.053 7.025 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.074 -4.973 7.477 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.063 -3.678 6.731 1.00 0.00 C ATOM 0 H VAL A 119 -2.131 -5.255 6.932 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.965 -5.248 9.047 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.582 -5.627 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.667 -4.471 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.462 -5.979 7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.134 -4.411 8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.668 -3.193 5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.079 -3.076 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.037 -3.773 6.377 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.872 -7.956 7.146 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.160 -9.375 7.105 1.00 0.00 C ATOM 1807 C ALA A 120 -3.583 -10.048 8.344 1.00 0.00 C ATOM 1808 O ALA A 120 -4.066 -11.088 8.794 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.573 -9.978 5.840 1.00 0.00 C ATOM 0 H ALA A 120 -3.378 -7.603 6.326 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.238 -9.533 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.791 -11.046 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.013 -9.494 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.493 -9.827 5.832 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.561 -9.410 8.904 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.895 -9.899 10.096 1.00 0.00 C ATOM 1817 C VAL A 121 -2.631 -9.449 11.355 1.00 0.00 C ATOM 1818 O VAL A 121 -2.652 -10.157 12.360 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.440 -9.396 10.136 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.169 -9.579 11.514 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.390 -10.102 9.077 1.00 0.00 C ATOM 0 H VAL A 121 -2.174 -8.539 8.541 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.899 -10.988 10.063 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.443 -8.328 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.196 -9.214 11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.412 -9.018 12.246 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.161 -10.637 11.778 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.416 -9.737 9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.379 -11.176 9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.030 -9.900 8.091 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.230 -8.265 11.290 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.979 -7.726 12.417 1.00 0.00 C ATOM 1833 C LEU A 122 -5.293 -8.482 12.580 1.00 0.00 C ATOM 1834 O LEU A 122 -5.675 -8.852 13.689 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.232 -6.222 12.220 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.703 -5.793 12.156 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.074 -4.983 13.387 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.971 -4.996 10.890 1.00 0.00 C ATOM 0 H LEU A 122 -3.211 -7.661 10.468 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.393 -7.854 13.327 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.751 -5.682 13.036 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.742 -5.908 11.298 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.324 -6.689 12.134 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.121 -4.687 13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.920 -5.588 14.281 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.447 -4.093 13.439 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.020 -4.700 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.342 -4.106 10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.744 -5.610 10.019 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.969 -8.719 11.462 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.223 -9.457 11.470 1.00 0.00 C ATOM 1852 C GLN A 123 -6.984 -10.884 11.944 1.00 0.00 C ATOM 1853 O GLN A 123 -7.851 -11.503 12.562 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.847 -9.456 10.072 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.382 -8.098 9.647 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.535 -7.627 10.511 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.674 -8.061 10.337 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.245 -6.730 11.448 1.00 0.00 N ATOM 0 H GLN A 123 -5.668 -8.410 10.538 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.915 -8.971 12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.100 -9.786 9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.659 -10.182 10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.577 -7.365 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.709 -8.150 8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.287 -6.398 11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -9.981 -6.374 12.058 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.781 -11.383 11.677 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.389 -12.721 12.099 1.00 0.00 C ATOM 1869 C ALA A 124 -5.080 -12.753 13.589 1.00 0.00 C ATOM 1870 O ALA A 124 -5.601 -13.583 14.315 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.182 -13.187 11.298 1.00 0.00 C ATOM 0 H ALA A 124 -5.058 -10.876 11.167 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.222 -13.399 11.912 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.896 -14.188 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.434 -13.205 10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.350 -12.502 11.462 1.00 0.00 H new