USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 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= -0.71 X(o=-1.2,f=-1) USER MOD Set 1.2: A 110 SER OG : rot 110:sc= -0.523 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.346 USER MOD Set 2.2: A 57 MET CE :methyl -178:sc= -1.18 (180deg=-1.21) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0719 USER MOD Single : A 60 SER OG : rot 64:sc= 1.17 USER MOD Single : A 66 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.5!) 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) USER MOD Single : A 69 MET CE :methyl 165:sc= -1.51 (180deg=-1.64!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 MET CE :methyl 164:sc= -2.24 (180deg=-2.44) USER MOD Single : A 82 HIS : no HD1:sc= -5.85! C(o=-5.8!,f=-13!) USER MOD Single : A 84 THR OG1 : rot -4:sc= 0.763 USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= -2.19! (180deg=-2.62!) USER MOD Single : A 90 THR OG1 : rot -94:sc= -2.67! USER MOD Single : A 92 MET CE :methyl -115:sc= -6.07! (180deg=-8.74!) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.181 F(o=-2.4,f=-0.18) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 167:sc= -8.49! (180deg=-9.09!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 80:sc= 1.1 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.738 X(o=-0.74,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.612 9.229 3.747 1.00 0.00 N ATOM 766 CA LEU A 53 1.867 9.103 4.478 1.00 0.00 C ATOM 767 C LEU A 53 2.606 7.827 4.092 1.00 0.00 C ATOM 768 O LEU A 53 1.990 6.796 3.822 1.00 0.00 O ATOM 769 CB LEU A 53 1.600 9.109 5.983 1.00 0.00 C ATOM 770 CG LEU A 53 2.511 10.026 6.804 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.690 11.072 7.541 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.343 9.215 7.786 1.00 0.00 C ATOM 0 HA LEU A 53 2.495 9.954 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.565 9.407 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.703 8.091 6.358 1.00 0.00 H new ATOM 0 HG LEU A 53 3.188 10.537 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.354 11.715 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.138 11.675 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.989 10.577 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.984 9.885 8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.682 8.676 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.960 8.503 7.238 1.00 0.00 H new ATOM 784 N THR A 54 3.933 7.908 4.070 1.00 0.00 N ATOM 785 CA THR A 54 4.773 6.764 3.736 1.00 0.00 C ATOM 786 C THR A 54 6.231 7.065 4.065 1.00 0.00 C ATOM 787 O THR A 54 6.521 7.948 4.871 1.00 0.00 O ATOM 788 CB THR A 54 4.629 6.400 2.254 1.00 0.00 C ATOM 789 OG1 THR A 54 3.836 7.359 1.575 1.00 0.00 O ATOM 790 CG2 THR A 54 4.000 5.041 2.032 1.00 0.00 C ATOM 0 H THR A 54 4.452 8.760 4.281 1.00 0.00 H new ATOM 0 HA THR A 54 4.446 5.913 4.333 1.00 0.00 H new ATOM 0 HB THR A 54 5.645 6.381 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.758 7.109 0.631 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.927 4.844 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.616 4.274 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.003 5.025 2.473 1.00 0.00 H new ATOM 798 N ALA A 55 7.145 6.331 3.438 1.00 0.00 N ATOM 799 CA ALA A 55 8.570 6.520 3.684 1.00 0.00 C ATOM 800 C ALA A 55 9.015 7.932 3.324 1.00 0.00 C ATOM 801 O ALA A 55 9.814 8.537 4.038 1.00 0.00 O ATOM 802 CB ALA A 55 9.379 5.494 2.914 1.00 0.00 C ATOM 0 H ALA A 55 6.925 5.603 2.758 1.00 0.00 H new ATOM 0 HA ALA A 55 8.747 6.379 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.441 5.648 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.093 4.492 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.185 5.604 1.847 1.00 0.00 H new ATOM 808 N SER A 56 8.500 8.452 2.214 1.00 0.00 N ATOM 809 CA SER A 56 8.842 9.801 1.779 1.00 0.00 C ATOM 810 C SER A 56 8.482 10.814 2.858 1.00 0.00 C ATOM 811 O SER A 56 9.280 11.691 3.193 1.00 0.00 O ATOM 812 CB SER A 56 8.119 10.145 0.477 1.00 0.00 C ATOM 813 OG SER A 56 8.361 9.163 -0.516 1.00 0.00 O ATOM 0 H SER A 56 7.847 7.962 1.602 1.00 0.00 H new ATOM 0 HA SER A 56 9.917 9.841 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.048 10.223 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.452 11.119 0.119 1.00 0.00 H new ATOM 0 HG SER A 56 7.886 9.405 -1.338 1.00 0.00 H new ATOM 819 N MET A 57 7.279 10.678 3.409 1.00 0.00 N ATOM 820 CA MET A 57 6.822 11.561 4.474 1.00 0.00 C ATOM 821 C MET A 57 7.760 11.469 5.669 1.00 0.00 C ATOM 822 O MET A 57 8.130 12.480 6.266 1.00 0.00 O ATOM 823 CB MET A 57 5.403 11.183 4.906 1.00 0.00 C ATOM 824 CG MET A 57 4.307 11.700 3.981 1.00 0.00 C ATOM 825 SD MET A 57 4.916 12.188 2.355 1.00 0.00 S ATOM 826 CE MET A 57 4.611 10.693 1.417 1.00 0.00 C ATOM 0 H MET A 57 6.604 9.964 3.134 1.00 0.00 H new ATOM 0 HA MET A 57 6.819 12.584 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.331 10.097 4.964 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.227 11.569 5.910 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.549 10.926 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.819 12.554 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 57 4.968 10.825 0.396 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.137 9.859 1.881 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.541 10.484 1.403 1.00 0.00 H new ATOM 836 N LEU A 58 8.146 10.242 6.002 1.00 0.00 N ATOM 837 CA LEU A 58 9.059 9.990 7.108 1.00 0.00 C ATOM 838 C LEU A 58 10.352 10.771 6.920 1.00 0.00 C ATOM 839 O LEU A 58 10.824 11.449 7.833 1.00 0.00 O ATOM 840 CB LEU A 58 9.375 8.492 7.186 1.00 0.00 C ATOM 841 CG LEU A 58 8.303 7.593 7.823 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.985 8.334 8.018 1.00 0.00 C ATOM 843 CD2 LEU A 58 8.095 6.351 6.967 1.00 0.00 C ATOM 0 H LEU A 58 7.837 9.400 5.516 1.00 0.00 H new ATOM 0 HA LEU A 58 8.582 10.314 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.565 8.131 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.301 8.368 7.748 1.00 0.00 H new ATOM 0 HG LEU A 58 8.656 7.296 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.254 7.664 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.143 9.192 8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.614 8.677 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.334 5.718 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.770 6.647 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.032 5.798 6.894 1.00 0.00 H new ATOM 855 N ALA A 59 10.915 10.668 5.722 1.00 0.00 N ATOM 856 CA ALA A 59 12.164 11.347 5.394 1.00 0.00 C ATOM 857 C ALA A 59 11.985 12.862 5.342 1.00 0.00 C ATOM 858 O ALA A 59 12.961 13.608 5.254 1.00 0.00 O ATOM 859 CB ALA A 59 12.705 10.833 4.069 1.00 0.00 C ATOM 0 H ALA A 59 10.524 10.118 4.957 1.00 0.00 H new ATOM 0 HA ALA A 59 12.881 11.127 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.637 11.346 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.889 9.761 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.977 11.023 3.280 1.00 0.00 H new ATOM 865 N SER A 60 10.734 13.312 5.395 1.00 0.00 N ATOM 866 CA SER A 60 10.434 14.740 5.343 1.00 0.00 C ATOM 867 C SER A 60 10.533 15.376 6.727 1.00 0.00 C ATOM 868 O SER A 60 10.467 16.598 6.862 1.00 0.00 O ATOM 869 CB SER A 60 9.037 14.969 4.765 1.00 0.00 C ATOM 870 OG SER A 60 8.926 14.421 3.462 1.00 0.00 O ATOM 0 H SER A 60 9.914 12.710 5.474 1.00 0.00 H new ATOM 0 HA SER A 60 11.172 15.212 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.291 14.515 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.825 16.038 4.732 1.00 0.00 H new ATOM 0 HG SER A 60 9.041 13.449 3.505 1.00 0.00 H new ATOM 876 N ALA A 61 10.693 14.545 7.753 1.00 0.00 N ATOM 877 CA ALA A 61 10.796 15.038 9.123 1.00 0.00 C ATOM 878 C ALA A 61 11.932 14.349 9.885 1.00 0.00 C ATOM 879 O ALA A 61 11.713 13.783 10.956 1.00 0.00 O ATOM 880 CB ALA A 61 9.475 14.839 9.851 1.00 0.00 C ATOM 0 H ALA A 61 10.754 13.531 7.663 1.00 0.00 H new ATOM 0 HA ALA A 61 11.025 16.103 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.563 15.210 10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.688 15.386 9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.227 13.778 9.871 1.00 0.00 H new ATOM 946 N GLN A 66 10.863 11.123 11.868 1.00 0.00 N ATOM 947 CA GLN A 66 11.460 10.130 10.982 1.00 0.00 C ATOM 948 C GLN A 66 11.209 8.719 11.496 1.00 0.00 C ATOM 949 O GLN A 66 11.079 7.775 10.715 1.00 0.00 O ATOM 950 CB GLN A 66 12.964 10.371 10.856 1.00 0.00 C ATOM 951 CG GLN A 66 13.461 10.354 9.422 1.00 0.00 C ATOM 952 CD GLN A 66 14.846 9.751 9.288 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.310 9.028 10.170 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.513 10.044 8.178 1.00 0.00 N ATOM 0 HA GLN A 66 10.994 10.230 10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.209 11.333 11.306 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.495 9.608 11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.762 9.788 8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.474 11.373 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.090 10.648 7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.449 9.665 8.030 1.00 0.00 H new ATOM 963 N LYS A 67 11.146 8.584 12.815 1.00 0.00 N ATOM 964 CA LYS A 67 10.917 7.287 13.443 1.00 0.00 C ATOM 965 C LYS A 67 9.826 7.373 14.505 1.00 0.00 C ATOM 966 O LYS A 67 9.816 6.593 15.459 1.00 0.00 O ATOM 967 CB LYS A 67 12.213 6.766 14.068 1.00 0.00 C ATOM 968 CG LYS A 67 13.249 6.323 13.046 1.00 0.00 C ATOM 969 CD LYS A 67 14.619 6.145 13.681 1.00 0.00 C ATOM 970 CE LYS A 67 15.417 7.438 13.657 1.00 0.00 C ATOM 971 NZ LYS A 67 16.718 7.302 14.367 1.00 0.00 N ATOM 0 H LYS A 67 11.250 9.357 13.472 1.00 0.00 H new ATOM 0 HA LYS A 67 10.586 6.594 12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.644 7.547 14.694 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.979 5.926 14.722 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.934 5.384 12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.311 7.061 12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.503 5.807 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.169 5.367 13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.597 7.734 12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.833 8.234 14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.231 8.206 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.546 7.044 15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.287 6.561 13.910 1.00 0.00 H new ATOM 985 N GLN A 68 8.885 8.296 14.320 1.00 0.00 N ATOM 986 CA GLN A 68 7.793 8.467 15.270 1.00 0.00 C ATOM 987 C GLN A 68 6.430 8.425 14.579 1.00 0.00 C ATOM 988 O GLN A 68 5.516 7.741 15.038 1.00 0.00 O ATOM 989 CB GLN A 68 7.951 9.793 16.018 1.00 0.00 C ATOM 990 CG GLN A 68 9.234 9.886 16.829 1.00 0.00 C ATOM 991 CD GLN A 68 9.001 10.423 18.227 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.176 9.710 19.215 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.603 11.687 18.317 1.00 0.00 N ATOM 0 H GLN A 68 8.858 8.933 13.524 1.00 0.00 H new ATOM 0 HA GLN A 68 7.838 7.638 15.977 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.926 10.611 15.299 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.099 9.928 16.685 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.691 8.898 16.894 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.942 10.531 16.309 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.471 12.241 17.471 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.430 12.103 19.232 1.00 0.00 H new ATOM 1002 N MET A 69 6.293 9.177 13.490 1.00 0.00 N ATOM 1003 CA MET A 69 5.021 9.270 12.775 1.00 0.00 C ATOM 1004 C MET A 69 4.785 8.085 11.837 1.00 0.00 C ATOM 1005 O MET A 69 3.889 8.130 10.994 1.00 0.00 O ATOM 1006 CB MET A 69 4.961 10.577 11.979 1.00 0.00 C ATOM 1007 CG MET A 69 5.887 10.602 10.774 1.00 0.00 C ATOM 1008 SD MET A 69 5.253 11.629 9.435 1.00 0.00 S ATOM 1009 CE MET A 69 6.741 12.496 8.943 1.00 0.00 C ATOM 0 H MET A 69 7.046 9.731 13.083 1.00 0.00 H new ATOM 0 HA MET A 69 4.232 9.252 13.526 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.937 10.740 11.643 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.216 11.406 12.639 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.865 10.973 11.080 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.031 9.585 10.410 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.585 12.963 7.970 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.976 13.264 9.681 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.569 11.790 8.878 1.00 0.00 H new ATOM 1019 N LEU A 70 5.572 7.023 11.986 1.00 0.00 N ATOM 1020 CA LEU A 70 5.408 5.840 11.143 1.00 0.00 C ATOM 1021 C LEU A 70 4.288 4.973 11.675 1.00 0.00 C ATOM 1022 O LEU A 70 3.500 4.417 10.909 1.00 0.00 O ATOM 1023 CB LEU A 70 6.696 5.003 11.058 1.00 0.00 C ATOM 1024 CG LEU A 70 7.897 5.511 11.854 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.254 6.922 11.428 1.00 0.00 C ATOM 1026 CD2 LEU A 70 7.632 5.433 13.351 1.00 0.00 C ATOM 0 H LEU A 70 6.322 6.956 12.674 1.00 0.00 H new ATOM 0 HA LEU A 70 5.168 6.194 10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.468 3.992 11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.987 4.932 10.010 1.00 0.00 H new ATOM 0 HG LEU A 70 8.750 4.867 11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.111 7.270 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.503 6.930 10.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.405 7.582 11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.503 5.801 13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.765 6.045 13.599 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.439 4.398 13.633 1.00 0.00 H new ATOM 1038 N GLY A 71 4.223 4.847 12.993 1.00 0.00 N ATOM 1039 CA GLY A 71 3.186 4.043 13.588 1.00 0.00 C ATOM 1040 C GLY A 71 2.444 4.765 14.695 1.00 0.00 C ATOM 1041 O GLY A 71 2.035 4.149 15.681 1.00 0.00 O ATOM 0 H GLY A 71 4.866 5.285 13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.477 3.744 12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.626 3.129 13.988 1.00 0.00 H new ATOM 1045 N GLU A 72 2.246 6.071 14.523 1.00 0.00 N ATOM 1046 CA GLU A 72 1.540 6.873 15.518 1.00 0.00 C ATOM 1047 C GLU A 72 0.817 8.061 14.880 1.00 0.00 C ATOM 1048 O GLU A 72 -0.008 8.709 15.523 1.00 0.00 O ATOM 1049 CB GLU A 72 2.522 7.358 16.592 1.00 0.00 C ATOM 1050 CG GLU A 72 3.019 8.782 16.385 1.00 0.00 C ATOM 1051 CD GLU A 72 3.707 9.344 17.614 1.00 0.00 C ATOM 1052 OE1 GLU A 72 4.394 8.572 18.316 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.558 10.556 17.875 1.00 0.00 O ATOM 0 H GLU A 72 2.564 6.594 13.707 1.00 0.00 H new ATOM 0 HA GLU A 72 0.782 6.241 15.981 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.039 7.292 17.567 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.379 6.685 16.615 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.712 8.802 15.544 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.177 9.422 16.120 1.00 0.00 H new ATOM 1060 N ARG A 73 1.119 8.337 13.613 1.00 0.00 N ATOM 1061 CA ARG A 73 0.494 9.446 12.903 1.00 0.00 C ATOM 1062 C ARG A 73 -0.117 8.969 11.590 1.00 0.00 C ATOM 1063 O ARG A 73 -0.934 9.663 10.985 1.00 0.00 O ATOM 1064 CB ARG A 73 1.523 10.545 12.632 1.00 0.00 C ATOM 1065 CG ARG A 73 0.959 11.953 12.750 1.00 0.00 C ATOM 1066 CD ARG A 73 0.264 12.389 11.471 1.00 0.00 C ATOM 1067 NE ARG A 73 -1.163 12.625 11.679 1.00 0.00 N ATOM 1068 CZ ARG A 73 -1.665 13.775 12.120 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.858 14.792 12.397 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -2.973 13.910 12.285 1.00 0.00 N ATOM 0 H ARG A 73 1.792 7.807 13.059 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.302 9.849 13.529 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.352 10.435 13.332 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.931 10.409 11.630 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.253 11.994 13.580 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.765 12.650 12.982 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.732 13.299 11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.398 11.624 10.706 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.811 11.864 11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.149 14.692 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.245 15.673 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.597 13.131 12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.356 14.793 12.623 1.00 0.00 H new ATOM 1084 N LEU A 74 0.274 7.771 11.163 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.237 7.197 9.925 1.00 0.00 C ATOM 1086 C LEU A 74 -1.635 6.632 10.114 1.00 0.00 C ATOM 1087 O LEU A 74 -2.305 6.283 9.145 1.00 0.00 O ATOM 1088 CB LEU A 74 0.686 6.085 9.443 1.00 0.00 C ATOM 1089 CG LEU A 74 1.516 6.427 8.217 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.907 5.835 8.351 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.827 5.934 6.954 1.00 0.00 C ATOM 0 H LEU A 74 0.943 7.180 11.657 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.278 7.995 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.360 5.815 10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.084 5.204 9.222 1.00 0.00 H new ATOM 0 HG LEU A 74 1.611 7.510 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.495 6.085 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.392 6.243 9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.834 4.751 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.435 6.187 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.702 4.852 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.150 6.408 6.864 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.054 6.510 11.369 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.360 5.940 11.690 1.00 0.00 C ATOM 1105 C PHE A 75 -4.478 6.559 10.838 1.00 0.00 C ATOM 1106 O PHE A 75 -5.225 5.835 10.178 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.669 6.105 13.184 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.096 5.802 13.545 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.725 4.666 13.056 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.810 6.654 14.374 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -7.041 4.394 13.379 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.123 6.381 14.706 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.738 5.250 14.209 1.00 0.00 C ATOM 0 H PHE A 75 -1.509 6.798 12.182 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.318 4.876 11.455 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.012 5.450 13.756 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.438 7.127 13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.181 3.987 12.416 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.334 7.541 14.765 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.524 3.513 12.983 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.668 7.052 15.354 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.764 5.034 14.469 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.627 7.901 10.838 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.673 8.570 10.055 1.00 0.00 C ATOM 1125 C PRO A 76 -5.472 8.393 8.555 1.00 0.00 C ATOM 1126 O PRO A 76 -6.334 8.757 7.755 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.537 10.044 10.444 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.138 10.182 10.938 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.798 8.870 11.584 1.00 0.00 C ATOM 0 HA PRO A 76 -6.660 8.156 10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.721 10.697 9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.257 10.317 11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.454 10.402 10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.055 11.002 11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.736 8.642 11.497 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.038 8.871 12.647 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.329 7.827 8.180 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.007 7.610 6.775 1.00 0.00 C ATOM 1139 C LEU A 77 -4.309 6.174 6.353 1.00 0.00 C ATOM 1140 O LEU A 77 -4.598 5.916 5.183 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.530 7.928 6.512 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.159 9.415 6.510 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.273 10.264 5.910 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.833 9.874 7.919 1.00 0.00 C ATOM 0 H LEU A 77 -3.610 7.510 8.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.631 8.280 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.929 7.424 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.252 7.502 5.548 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.275 9.544 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.978 11.313 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.455 9.951 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.184 10.135 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.571 10.932 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.701 9.723 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.992 9.297 8.304 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.236 5.240 7.299 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.493 3.836 6.991 1.00 0.00 C ATOM 1158 C ILE A 78 -5.960 3.601 6.664 1.00 0.00 C ATOM 1159 O ILE A 78 -6.286 2.839 5.756 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.091 2.896 8.135 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.810 3.383 8.816 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.913 1.484 7.602 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.590 3.336 7.922 1.00 0.00 C ATOM 0 H ILE A 78 -4.004 5.427 8.274 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.876 3.608 6.122 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.885 2.894 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.958 4.407 9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.625 2.773 9.701 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.628 0.820 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.850 1.139 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.133 1.478 6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.721 3.696 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.415 2.310 7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.754 3.968 7.049 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.840 4.257 7.415 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.277 4.141 7.186 1.00 0.00 C ATOM 1177 C GLN A 79 -8.603 4.399 5.718 1.00 0.00 C ATOM 1178 O GLN A 79 -9.676 4.043 5.229 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.029 5.143 8.064 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.574 4.544 9.350 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.425 5.524 10.132 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.646 5.386 10.200 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.782 6.522 10.726 1.00 0.00 N ATOM 0 H GLN A 79 -6.584 4.873 8.186 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.590 3.129 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.360 5.967 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.855 5.565 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.168 3.661 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.743 4.212 9.973 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.768 6.597 10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.302 7.214 11.266 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.660 5.030 5.030 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.803 5.347 3.614 1.00 0.00 C ATOM 1194 C ALA A 80 -7.445 4.148 2.741 1.00 0.00 C ATOM 1195 O ALA A 80 -8.088 3.898 1.721 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.917 6.530 3.255 1.00 0.00 C ATOM 0 H ALA A 80 -6.776 5.336 5.436 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.846 5.604 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.029 6.761 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.209 7.397 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.876 6.282 3.464 1.00 0.00 H new ATOM 1202 N MET A 81 -6.397 3.427 3.133 1.00 0.00 N ATOM 1203 CA MET A 81 -5.948 2.260 2.378 1.00 0.00 C ATOM 1204 C MET A 81 -6.914 1.098 2.557 1.00 0.00 C ATOM 1205 O MET A 81 -7.269 0.412 1.597 1.00 0.00 O ATOM 1206 CB MET A 81 -4.548 1.834 2.828 1.00 0.00 C ATOM 1207 CG MET A 81 -3.637 2.993 3.197 1.00 0.00 C ATOM 1208 SD MET A 81 -2.609 2.636 4.632 1.00 0.00 S ATOM 1209 CE MET A 81 -1.045 2.274 3.849 1.00 0.00 C ATOM 0 H MET A 81 -5.845 3.629 3.966 1.00 0.00 H new ATOM 0 HA MET A 81 -5.916 2.536 1.324 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.640 1.170 3.688 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.081 1.258 2.029 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.998 3.233 2.347 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.243 3.876 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.248 2.313 4.592 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.081 1.278 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.850 3.010 3.069 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.327 0.883 3.797 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.241 -0.198 4.131 1.00 0.00 C ATOM 1221 C HIS A 82 -9.564 0.357 4.648 1.00 0.00 C ATOM 1222 O HIS A 82 -9.609 1.476 5.153 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.605 -1.097 5.192 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.894 -2.284 4.623 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.180 -3.558 5.044 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.918 -2.336 3.685 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.388 -4.357 4.349 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.598 -3.658 3.524 1.00 0.00 N ATOM 0 H HIS A 82 -7.040 1.449 4.595 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.439 -0.780 3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.900 -0.509 5.779 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.380 -1.442 5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.478 -1.498 3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.379 -5.433 4.436 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.891 -4.038 2.894 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.661 -0.416 4.534 1.00 0.00 N ATOM 1237 CA PRO A 83 -11.983 0.014 5.010 1.00 0.00 C ATOM 1238 C PRO A 83 -11.997 0.230 6.521 1.00 0.00 C ATOM 1239 O PRO A 83 -12.499 -0.607 7.273 1.00 0.00 O ATOM 1240 CB PRO A 83 -12.910 -1.147 4.624 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.157 -1.932 3.604 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.705 -1.764 3.945 1.00 0.00 C ATOM 0 HA PRO A 83 -12.284 0.967 4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.153 -1.761 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.853 -0.779 4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.445 -2.983 3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.367 -1.568 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.364 -2.524 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.071 -1.840 3.062 1.00 0.00 H new ATOM 1250 N THR A 84 -11.421 1.350 6.955 1.00 0.00 N ATOM 1251 CA THR A 84 -11.335 1.684 8.372 1.00 0.00 C ATOM 1252 C THR A 84 -10.852 0.489 9.191 1.00 0.00 C ATOM 1253 O THR A 84 -11.261 0.301 10.337 1.00 0.00 O ATOM 1254 CB THR A 84 -12.695 2.161 8.891 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.595 1.074 9.011 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.344 3.202 8.006 1.00 0.00 C ATOM 0 H THR A 84 -11.004 2.046 6.337 1.00 0.00 H new ATOM 0 HA THR A 84 -10.609 2.490 8.483 1.00 0.00 H new ATOM 0 HB THR A 84 -12.491 2.613 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.167 0.257 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.303 3.495 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.696 4.076 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.501 2.786 7.011 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.980 -0.319 8.592 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.449 -1.505 9.258 1.00 0.00 C ATOM 1266 C LEU A 85 -8.213 -1.166 10.087 1.00 0.00 C ATOM 1267 O LEU A 85 -7.555 -2.055 10.626 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.103 -2.583 8.227 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.276 -3.466 7.793 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -9.841 -4.423 6.693 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.837 -4.235 8.980 1.00 0.00 C ATOM 0 H LEU A 85 -9.626 -0.174 7.646 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.219 -1.884 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.686 -2.099 7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.321 -3.221 8.639 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.064 -2.823 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.686 -5.044 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.489 -3.853 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.036 -5.059 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.670 -4.856 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.058 -4.868 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.186 -3.532 9.737 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.904 0.124 10.182 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.752 0.582 10.951 1.00 0.00 C ATOM 1285 C ALA A 86 -6.982 0.387 12.448 1.00 0.00 C ATOM 1286 O ALA A 86 -7.492 -0.649 12.875 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.457 2.041 10.630 1.00 0.00 C ATOM 0 H ALA A 86 -8.436 0.871 9.735 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.886 -0.017 10.670 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.595 2.374 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.241 2.143 9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.323 2.652 10.885 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.601 1.381 13.245 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.754 1.275 14.682 1.00 0.00 C ATOM 1295 C GLY A 87 -5.620 0.496 15.311 1.00 0.00 C ATOM 1296 O GLY A 87 -5.406 0.560 16.522 1.00 0.00 O ATOM 0 H GLY A 87 -6.190 2.256 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.795 2.273 15.118 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.701 0.788 14.912 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.880 -0.225 14.476 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.757 -1.023 14.949 1.00 0.00 C ATOM 1302 C LYS A 88 -2.736 -1.290 13.844 1.00 0.00 C ATOM 1303 O LYS A 88 -1.590 -1.603 14.138 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.251 -2.357 15.511 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.138 -3.225 16.075 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.443 -4.702 15.903 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.410 -5.379 15.020 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.407 -6.857 15.198 1.00 0.00 N ATOM 0 H LYS A 88 -5.038 -0.273 13.469 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.266 -0.447 15.734 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.983 -2.163 16.295 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.766 -2.906 14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.200 -2.986 15.575 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.001 -3.001 17.133 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.465 -5.187 16.879 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.434 -4.822 15.465 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.613 -5.140 13.976 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.421 -4.984 15.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.788 -7.291 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.057 -7.091 16.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.374 -7.222 15.085 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.152 -1.190 12.580 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.259 -1.479 11.464 1.00 0.00 C ATOM 1324 C ILE A 89 -0.924 -0.751 11.599 1.00 0.00 C ATOM 1325 O ILE A 89 0.064 -1.345 12.014 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.903 -1.115 10.112 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.193 -1.914 9.906 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.926 -1.375 8.974 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.103 -1.338 8.844 1.00 0.00 C ATOM 0 H ILE A 89 -4.095 -0.913 12.308 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.075 -2.553 11.492 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.151 -0.054 10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.936 -2.938 9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.736 -1.961 10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.395 -1.113 8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.032 -0.768 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.651 -2.430 8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.996 -1.957 8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.391 -0.324 9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.579 -1.317 7.888 1.00 0.00 H new ATOM 1341 N THR A 90 -0.888 0.522 11.218 1.00 0.00 N ATOM 1342 CA THR A 90 0.346 1.305 11.289 1.00 0.00 C ATOM 1343 C THR A 90 0.935 1.262 12.697 1.00 0.00 C ATOM 1344 O THR A 90 2.150 1.153 12.862 1.00 0.00 O ATOM 1345 CB THR A 90 0.070 2.746 10.842 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.814 3.050 9.675 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.395 3.803 11.876 1.00 0.00 C ATOM 0 H THR A 90 -1.694 1.034 10.858 1.00 0.00 H new ATOM 0 HA THR A 90 1.084 0.870 10.615 1.00 0.00 H new ATOM 0 HB THR A 90 -1.005 2.777 10.666 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.660 3.476 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.168 4.789 11.472 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.202 3.632 12.772 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.454 3.750 12.130 1.00 0.00 H new ATOM 1355 N GLY A 91 0.072 1.320 13.708 1.00 0.00 N ATOM 1356 CA GLY A 91 0.545 1.213 15.075 1.00 0.00 C ATOM 1357 C GLY A 91 1.265 -0.100 15.287 1.00 0.00 C ATOM 1358 O GLY A 91 2.178 -0.204 16.107 1.00 0.00 O ATOM 0 H GLY A 91 -0.936 1.438 13.606 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.216 2.042 15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.296 1.288 15.764 1.00 0.00 H new ATOM 1362 N MET A 92 0.864 -1.093 14.502 1.00 0.00 N ATOM 1363 CA MET A 92 1.489 -2.408 14.529 1.00 0.00 C ATOM 1364 C MET A 92 2.814 -2.359 13.808 1.00 0.00 C ATOM 1365 O MET A 92 3.780 -3.011 14.195 1.00 0.00 O ATOM 1366 CB MET A 92 0.599 -3.435 13.832 1.00 0.00 C ATOM 1367 CG MET A 92 0.782 -4.837 14.360 1.00 0.00 C ATOM 1368 SD MET A 92 0.804 -6.085 13.061 1.00 0.00 S ATOM 1369 CE MET A 92 -0.653 -5.626 12.131 1.00 0.00 C ATOM 0 H MET A 92 0.100 -1.009 13.832 1.00 0.00 H new ATOM 0 HA MET A 92 1.635 -2.696 15.570 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.444 -3.142 13.951 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.813 -3.426 12.763 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.715 -4.889 14.921 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.023 -5.063 15.059 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.394 -6.423 12.198 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.071 -4.706 12.540 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.383 -5.468 11.087 1.00 0.00 H new ATOM 1379 N LEU A 93 2.829 -1.576 12.743 1.00 0.00 N ATOM 1380 CA LEU A 93 4.004 -1.417 11.903 1.00 0.00 C ATOM 1381 C LEU A 93 5.205 -0.935 12.706 1.00 0.00 C ATOM 1382 O LEU A 93 6.319 -0.859 12.190 1.00 0.00 O ATOM 1383 CB LEU A 93 3.692 -0.446 10.776 1.00 0.00 C ATOM 1384 CG LEU A 93 3.076 -1.088 9.529 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.075 -2.028 8.871 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.796 -1.832 9.886 1.00 0.00 C ATOM 0 H LEU A 93 2.024 -1.031 12.435 1.00 0.00 H new ATOM 0 HA LEU A 93 4.263 -2.390 11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.009 0.316 11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.612 0.064 10.489 1.00 0.00 H new ATOM 0 HG LEU A 93 2.825 -0.298 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.624 -2.477 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.964 -1.469 8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.354 -2.813 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.373 -2.281 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.020 -2.614 10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.077 -1.134 10.315 1.00 0.00 H new ATOM 1398 N LEU A 94 4.973 -0.617 13.971 1.00 0.00 N ATOM 1399 CA LEU A 94 6.040 -0.217 14.865 1.00 0.00 C ATOM 1400 C LEU A 94 6.286 -1.327 15.875 1.00 0.00 C ATOM 1401 O LEU A 94 6.703 -1.084 17.007 1.00 0.00 O ATOM 1402 CB LEU A 94 5.675 1.088 15.573 1.00 0.00 C ATOM 1403 CG LEU A 94 6.297 2.349 14.965 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.780 2.425 15.299 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.084 2.383 13.457 1.00 0.00 C ATOM 0 H LEU A 94 4.048 -0.630 14.400 1.00 0.00 H new ATOM 0 HA LEU A 94 6.952 -0.046 14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.590 1.196 15.567 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.982 1.016 16.616 1.00 0.00 H new ATOM 0 HG LEU A 94 5.801 3.218 15.397 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.206 3.327 14.859 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.908 2.453 16.381 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.289 1.549 14.896 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.534 3.287 13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.550 1.508 13.004 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.016 2.379 13.240 1.00 0.00 H new ATOM 1417 N GLU A 95 5.980 -2.551 15.450 1.00 0.00 N ATOM 1418 CA GLU A 95 6.130 -3.727 16.298 1.00 0.00 C ATOM 1419 C GLU A 95 5.944 -5.015 15.495 1.00 0.00 C ATOM 1420 O GLU A 95 6.039 -6.111 16.047 1.00 0.00 O ATOM 1421 CB GLU A 95 5.123 -3.682 17.452 1.00 0.00 C ATOM 1422 CG GLU A 95 3.700 -4.034 17.042 1.00 0.00 C ATOM 1423 CD GLU A 95 2.820 -4.375 18.229 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.750 -3.557 19.171 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.202 -5.461 18.219 1.00 0.00 O ATOM 0 H GLU A 95 5.624 -2.753 14.516 1.00 0.00 H new ATOM 0 HA GLU A 95 7.142 -3.720 16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.447 -4.371 18.231 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.129 -2.683 17.888 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.264 -3.195 16.500 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.722 -4.880 16.355 1.00 0.00 H new ATOM 1432 N ILE A 96 5.711 -4.881 14.187 1.00 0.00 N ATOM 1433 CA ILE A 96 5.517 -6.051 13.325 1.00 0.00 C ATOM 1434 C ILE A 96 6.768 -6.926 13.274 1.00 0.00 C ATOM 1435 O ILE A 96 7.591 -6.922 14.189 1.00 0.00 O ATOM 1436 CB ILE A 96 5.171 -5.665 11.865 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.337 -4.926 11.195 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.896 -4.846 11.788 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.748 -3.649 11.883 1.00 0.00 C ATOM 0 H ILE A 96 5.652 -3.984 13.705 1.00 0.00 H new ATOM 0 HA ILE A 96 4.683 -6.594 13.769 1.00 0.00 H new ATOM 0 HB ILE A 96 4.999 -6.592 11.319 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.197 -5.594 11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.061 -4.696 10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.687 -4.595 10.748 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.067 -5.425 12.195 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.017 -3.929 12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.578 -3.195 11.341 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.905 -2.958 11.902 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.059 -3.870 12.904 1.00 0.00 H new ATOM 1451 N ASP A 97 6.913 -7.644 12.162 1.00 0.00 N ATOM 1452 CA ASP A 97 8.064 -8.500 11.922 1.00 0.00 C ATOM 1453 C ASP A 97 9.362 -7.697 11.947 1.00 0.00 C ATOM 1454 O ASP A 97 10.447 -8.257 11.798 1.00 0.00 O ATOM 1455 CB ASP A 97 7.903 -9.181 10.563 1.00 0.00 C ATOM 1456 CG ASP A 97 8.584 -10.534 10.504 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.633 -11.221 11.547 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.068 -10.909 9.415 1.00 0.00 O ATOM 0 H ASP A 97 6.232 -7.646 11.403 1.00 0.00 H new ATOM 0 HA ASP A 97 8.116 -9.248 12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.842 -9.303 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.316 -8.537 9.787 1.00 0.00 H new ATOM 1463 N ASN A 98 9.227 -6.377 12.112 1.00 0.00 N ATOM 1464 CA ASN A 98 10.364 -5.456 12.152 1.00 0.00 C ATOM 1465 C ASN A 98 10.879 -5.155 10.754 1.00 0.00 C ATOM 1466 O ASN A 98 11.324 -4.042 10.471 1.00 0.00 O ATOM 1467 CB ASN A 98 11.495 -5.999 13.034 1.00 0.00 C ATOM 1468 CG ASN A 98 12.725 -6.406 12.241 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.561 -5.430 11.902 1.00 0.00 O flip ATOM 1470 ND2 ASN A 98 12.929 -7.584 11.948 1.00 0.00 N flip ATOM 0 H ASN A 98 8.323 -5.918 12.222 1.00 0.00 H new ATOM 0 HA ASN A 98 10.009 -4.525 12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.775 -5.239 13.764 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.130 -6.860 13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.261 -8.302 12.228 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.766 -7.842 11.425 1.00 0.00 H new ATOM 1477 N SER A 99 10.822 -6.152 9.890 1.00 0.00 N ATOM 1478 CA SER A 99 11.261 -5.984 8.511 1.00 0.00 C ATOM 1479 C SER A 99 10.325 -5.031 7.784 1.00 0.00 C ATOM 1480 O SER A 99 10.717 -4.363 6.827 1.00 0.00 O ATOM 1481 CB SER A 99 11.311 -7.329 7.789 1.00 0.00 C ATOM 1482 OG SER A 99 11.828 -8.341 8.634 1.00 0.00 O ATOM 0 H SER A 99 10.477 -7.085 10.115 1.00 0.00 H new ATOM 0 HA SER A 99 12.267 -5.564 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.310 -7.604 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.931 -7.244 6.897 1.00 0.00 H new ATOM 0 HG SER A 99 11.848 -9.193 8.150 1.00 0.00 H new ATOM 1488 N GLU A 100 9.090 -4.963 8.266 1.00 0.00 N ATOM 1489 CA GLU A 100 8.097 -4.060 7.707 1.00 0.00 C ATOM 1490 C GLU A 100 8.262 -2.675 8.309 1.00 0.00 C ATOM 1491 O GLU A 100 7.907 -1.676 7.692 1.00 0.00 O ATOM 1492 CB GLU A 100 6.690 -4.594 7.954 1.00 0.00 C ATOM 1493 CG GLU A 100 6.607 -6.111 7.905 1.00 0.00 C ATOM 1494 CD GLU A 100 5.297 -6.604 7.321 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.248 -6.409 7.970 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.322 -7.185 6.217 1.00 0.00 O ATOM 0 H GLU A 100 8.753 -5.526 9.047 1.00 0.00 H new ATOM 0 HA GLU A 100 8.247 -3.992 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.344 -4.249 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.014 -4.175 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.434 -6.498 7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.725 -6.511 8.912 1.00 0.00 H new ATOM 1503 N LEU A 101 8.841 -2.626 9.507 1.00 0.00 N ATOM 1504 CA LEU A 101 9.132 -1.360 10.167 1.00 0.00 C ATOM 1505 C LEU A 101 10.338 -0.704 9.503 1.00 0.00 C ATOM 1506 O LEU A 101 10.483 0.517 9.510 1.00 0.00 O ATOM 1507 CB LEU A 101 9.414 -1.589 11.660 1.00 0.00 C ATOM 1508 CG LEU A 101 9.676 -0.329 12.503 1.00 0.00 C ATOM 1509 CD1 LEU A 101 11.155 0.031 12.484 1.00 0.00 C ATOM 1510 CD2 LEU A 101 8.831 0.844 12.024 1.00 0.00 C ATOM 0 H LEU A 101 9.117 -3.451 10.039 1.00 0.00 H new ATOM 0 HA LEU A 101 8.267 -0.704 10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.565 -2.119 12.092 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.279 -2.246 11.748 1.00 0.00 H new ATOM 0 HG LEU A 101 9.387 -0.549 13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.320 0.925 13.086 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.736 -0.795 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.470 0.221 11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.040 1.718 12.640 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.073 1.066 10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.775 0.588 12.104 1.00 0.00 H new ATOM 1522 N LEU A 102 11.195 -1.540 8.927 1.00 0.00 N ATOM 1523 CA LEU A 102 12.405 -1.072 8.256 1.00 0.00 C ATOM 1524 C LEU A 102 12.130 -0.713 6.807 1.00 0.00 C ATOM 1525 O LEU A 102 12.558 0.337 6.329 1.00 0.00 O ATOM 1526 CB LEU A 102 13.491 -2.149 8.325 1.00 0.00 C ATOM 1527 CG LEU A 102 14.516 -1.967 9.445 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.882 -2.238 10.801 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.714 -2.878 9.224 1.00 0.00 C ATOM 0 H LEU A 102 11.074 -2.553 8.911 1.00 0.00 H new ATOM 0 HA LEU A 102 12.748 -0.174 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.011 -3.120 8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.018 -2.173 7.371 1.00 0.00 H new ATOM 0 HG LEU A 102 14.862 -0.933 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.628 -2.103 11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.057 -1.544 10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.507 -3.261 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.433 -2.735 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.384 -3.917 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.184 -2.636 8.271 1.00 0.00 H new ATOM 1541 N HIS A 103 11.428 -1.589 6.108 1.00 0.00 N ATOM 1542 CA HIS A 103 11.127 -1.367 4.709 1.00 0.00 C ATOM 1543 C HIS A 103 10.182 -0.182 4.529 1.00 0.00 C ATOM 1544 O HIS A 103 10.327 0.598 3.590 1.00 0.00 O ATOM 1545 CB HIS A 103 10.518 -2.634 4.109 1.00 0.00 C ATOM 1546 CG HIS A 103 11.138 -3.054 2.810 1.00 0.00 C ATOM 1547 ND1 HIS A 103 10.904 -4.297 2.275 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.968 -2.366 1.985 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.589 -4.342 1.146 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.247 -3.195 0.930 1.00 0.00 N ATOM 0 H HIS A 103 11.057 -2.460 6.489 1.00 0.00 H new ATOM 0 HA HIS A 103 12.054 -1.131 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.618 -3.448 4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.451 -2.474 3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 103 12.337 -1.361 2.131 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.615 -5.194 0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.843 -2.979 0.131 1.00 0.00 H new ATOM 1558 N MET A 104 9.222 -0.042 5.442 1.00 0.00 N ATOM 1559 CA MET A 104 8.255 1.055 5.378 1.00 0.00 C ATOM 1560 C MET A 104 8.956 2.410 5.415 1.00 0.00 C ATOM 1561 O MET A 104 8.505 3.366 4.785 1.00 0.00 O ATOM 1562 CB MET A 104 7.262 0.957 6.535 1.00 0.00 C ATOM 1563 CG MET A 104 7.901 1.181 7.890 1.00 0.00 C ATOM 1564 SD MET A 104 6.915 2.244 8.956 1.00 0.00 S ATOM 1565 CE MET A 104 5.291 1.541 8.697 1.00 0.00 C ATOM 0 H MET A 104 9.092 -0.672 6.233 1.00 0.00 H new ATOM 0 HA MET A 104 7.717 0.970 4.434 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.470 1.691 6.388 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.792 -0.027 6.520 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.050 0.219 8.380 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.887 1.625 7.753 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.604 1.926 9.450 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.931 1.812 7.705 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.347 0.455 8.778 1.00 0.00 H new ATOM 1575 N LEU A 105 10.038 2.498 6.183 1.00 0.00 N ATOM 1576 CA LEU A 105 10.802 3.736 6.288 1.00 0.00 C ATOM 1577 C LEU A 105 11.837 3.805 5.182 1.00 0.00 C ATOM 1578 O LEU A 105 12.486 4.831 4.981 1.00 0.00 O ATOM 1579 CB LEU A 105 11.511 3.823 7.644 1.00 0.00 C ATOM 1580 CG LEU A 105 10.661 3.441 8.855 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.526 3.336 10.101 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.553 4.455 9.058 1.00 0.00 C ATOM 0 H LEU A 105 10.405 1.727 6.741 1.00 0.00 H new ATOM 0 HA LEU A 105 10.107 4.571 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.388 3.176 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.871 4.843 7.782 1.00 0.00 H new ATOM 0 HG LEU A 105 10.209 2.466 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.904 3.063 10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.290 2.573 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.005 4.296 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.955 4.172 9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.988 5.441 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.919 4.483 8.172 1.00 0.00 H new ATOM 1594 N GLU A 106 11.999 2.691 4.484 1.00 0.00 N ATOM 1595 CA GLU A 106 13.006 2.585 3.450 1.00 0.00 C ATOM 1596 C GLU A 106 12.399 2.584 2.050 1.00 0.00 C ATOM 1597 O GLU A 106 13.125 2.630 1.055 1.00 0.00 O ATOM 1598 CB GLU A 106 13.815 1.307 3.675 1.00 0.00 C ATOM 1599 CG GLU A 106 14.851 1.441 4.771 1.00 0.00 C ATOM 1600 CD GLU A 106 15.800 2.601 4.546 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.652 2.504 3.638 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.691 3.608 5.278 1.00 0.00 O ATOM 0 H GLU A 106 11.442 1.847 4.619 1.00 0.00 H new ATOM 0 HA GLU A 106 13.653 3.460 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.134 0.493 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.313 1.032 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.346 1.572 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.424 0.516 4.837 1.00 0.00 H new ATOM 1609 N SER A 107 11.074 2.544 1.971 1.00 0.00 N ATOM 1610 CA SER A 107 10.394 2.526 0.678 1.00 0.00 C ATOM 1611 C SER A 107 9.037 3.223 0.749 1.00 0.00 C ATOM 1612 O SER A 107 8.225 2.928 1.627 1.00 0.00 O ATOM 1613 CB SER A 107 10.211 1.086 0.206 1.00 0.00 C ATOM 1614 OG SER A 107 10.296 0.993 -1.205 1.00 0.00 O ATOM 0 H SER A 107 10.452 2.524 2.779 1.00 0.00 H new ATOM 0 HA SER A 107 11.015 3.069 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.972 0.452 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.243 0.712 0.540 1.00 0.00 H new ATOM 0 HG SER A 107 10.177 0.060 -1.479 1.00 0.00 H new ATOM 1620 N PRO A 108 8.763 4.150 -0.192 1.00 0.00 N ATOM 1621 CA PRO A 108 7.498 4.897 -0.233 1.00 0.00 C ATOM 1622 C PRO A 108 6.309 4.011 -0.594 1.00 0.00 C ATOM 1623 O PRO A 108 5.174 4.481 -0.672 1.00 0.00 O ATOM 1624 CB PRO A 108 7.724 5.953 -1.326 1.00 0.00 C ATOM 1625 CG PRO A 108 9.195 5.956 -1.578 1.00 0.00 C ATOM 1626 CD PRO A 108 9.670 4.567 -1.271 1.00 0.00 C ATOM 0 HA PRO A 108 7.256 5.322 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.171 5.705 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.379 6.935 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.413 6.223 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.698 6.689 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.596 3.912 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.712 4.556 -0.952 1.00 0.00 H new ATOM 1634 N GLU A 109 6.579 2.732 -0.824 1.00 0.00 N ATOM 1635 CA GLU A 109 5.533 1.775 -1.171 1.00 0.00 C ATOM 1636 C GLU A 109 5.530 0.611 -0.194 1.00 0.00 C ATOM 1637 O GLU A 109 4.583 -0.173 -0.153 1.00 0.00 O ATOM 1638 CB GLU A 109 5.741 1.257 -2.594 1.00 0.00 C ATOM 1639 CG GLU A 109 5.630 2.338 -3.657 1.00 0.00 C ATOM 1640 CD GLU A 109 6.095 1.866 -5.021 1.00 0.00 C ATOM 1641 OE1 GLU A 109 5.692 0.759 -5.436 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.863 2.603 -5.675 1.00 0.00 O ATOM 0 H GLU A 109 7.516 2.332 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 109 4.570 2.283 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.724 0.792 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.005 0.480 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.594 2.670 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.222 3.202 -3.354 1.00 0.00 H new ATOM 1649 N SER A 110 6.594 0.501 0.591 1.00 0.00 N ATOM 1650 CA SER A 110 6.691 -0.549 1.591 1.00 0.00 C ATOM 1651 C SER A 110 5.746 -0.268 2.736 1.00 0.00 C ATOM 1652 O SER A 110 5.020 -1.144 3.183 1.00 0.00 O ATOM 1653 CB SER A 110 8.113 -0.665 2.123 1.00 0.00 C ATOM 1654 OG SER A 110 8.716 -1.871 1.697 1.00 0.00 O ATOM 0 H SER A 110 7.399 1.126 0.553 1.00 0.00 H new ATOM 0 HA SER A 110 6.417 -1.491 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.704 0.183 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.102 -0.624 3.212 1.00 0.00 H new ATOM 0 HG SER A 110 9.417 -1.673 1.042 1.00 0.00 H new ATOM 1660 N LEU A 111 5.752 0.966 3.198 1.00 0.00 N ATOM 1661 CA LEU A 111 4.886 1.361 4.289 1.00 0.00 C ATOM 1662 C LEU A 111 3.429 1.070 3.965 1.00 0.00 C ATOM 1663 O LEU A 111 2.624 0.822 4.857 1.00 0.00 O ATOM 1664 CB LEU A 111 5.059 2.841 4.586 1.00 0.00 C ATOM 1665 CG LEU A 111 4.351 3.312 5.848 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.224 4.293 6.600 1.00 0.00 C ATOM 1667 CD2 LEU A 111 3.006 3.927 5.504 1.00 0.00 C ATOM 0 H LEU A 111 6.346 1.711 2.835 1.00 0.00 H new ATOM 0 HA LEU A 111 5.166 0.780 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.123 3.060 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.687 3.416 3.738 1.00 0.00 H new ATOM 0 HG LEU A 111 4.170 2.453 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.707 4.623 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.161 3.809 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.433 5.154 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.513 4.258 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.155 4.780 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.383 3.185 5.005 1.00 0.00 H new ATOM 1679 N ARG A 112 3.098 1.107 2.682 1.00 0.00 N ATOM 1680 CA ARG A 112 1.732 0.865 2.242 1.00 0.00 C ATOM 1681 C ARG A 112 1.482 -0.623 2.004 1.00 0.00 C ATOM 1682 O ARG A 112 0.510 -1.185 2.506 1.00 0.00 O ATOM 1683 CB ARG A 112 1.445 1.668 0.970 1.00 0.00 C ATOM 1684 CG ARG A 112 0.672 0.897 -0.083 1.00 0.00 C ATOM 1685 CD ARG A 112 0.334 1.768 -1.283 1.00 0.00 C ATOM 1686 NE ARG A 112 0.276 0.995 -2.519 1.00 0.00 N ATOM 1687 CZ ARG A 112 1.082 1.202 -3.557 1.00 0.00 C ATOM 1688 NH1 ARG A 112 2.006 2.152 -3.507 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.966 0.456 -4.646 1.00 0.00 N ATOM 0 H ARG A 112 3.757 1.302 1.928 1.00 0.00 H new ATOM 0 HA ARG A 112 1.055 1.192 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.883 2.563 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.390 2.001 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.259 0.039 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.247 0.506 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.625 2.258 -1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.082 2.555 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.422 0.254 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.101 2.728 -2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.622 2.307 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.258 -0.277 -4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.584 0.615 -5.441 1.00 0.00 H new ATOM 1703 N SER A 113 2.352 -1.249 1.218 1.00 0.00 N ATOM 1704 CA SER A 113 2.215 -2.664 0.898 1.00 0.00 C ATOM 1705 C SER A 113 2.356 -3.523 2.151 1.00 0.00 C ATOM 1706 O SER A 113 1.711 -4.565 2.276 1.00 0.00 O ATOM 1707 CB SER A 113 3.263 -3.075 -0.137 1.00 0.00 C ATOM 1708 OG SER A 113 3.193 -2.253 -1.288 1.00 0.00 O ATOM 0 H SER A 113 3.160 -0.797 0.791 1.00 0.00 H new ATOM 0 HA SER A 113 1.220 -2.823 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.258 -3.007 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.110 -4.116 -0.420 1.00 0.00 H new ATOM 0 HG SER A 113 3.648 -1.403 -1.111 1.00 0.00 H new ATOM 1714 N LYS A 114 3.218 -3.091 3.062 1.00 0.00 N ATOM 1715 CA LYS A 114 3.438 -3.810 4.312 1.00 0.00 C ATOM 1716 C LYS A 114 2.322 -3.516 5.301 1.00 0.00 C ATOM 1717 O LYS A 114 2.001 -4.350 6.146 1.00 0.00 O ATOM 1718 CB LYS A 114 4.792 -3.446 4.922 1.00 0.00 C ATOM 1719 CG LYS A 114 5.968 -3.746 4.008 1.00 0.00 C ATOM 1720 CD LYS A 114 6.334 -5.222 4.033 1.00 0.00 C ATOM 1721 CE LYS A 114 7.014 -5.650 2.742 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.874 -7.112 2.499 1.00 0.00 N ATOM 0 H LYS A 114 3.778 -2.245 2.959 1.00 0.00 H new ATOM 0 HA LYS A 114 3.437 -4.877 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.796 -2.385 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.919 -3.992 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.722 -3.449 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.829 -3.152 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.995 -5.420 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.435 -5.818 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.583 -5.100 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.071 -5.389 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.351 -7.363 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.307 -7.638 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.866 -7.358 2.433 1.00 0.00 H new ATOM 1736 N VAL A 115 1.736 -2.324 5.202 1.00 0.00 N ATOM 1737 CA VAL A 115 0.627 -1.960 6.079 1.00 0.00 C ATOM 1738 C VAL A 115 -0.606 -2.779 5.712 1.00 0.00 C ATOM 1739 O VAL A 115 -1.199 -3.436 6.565 1.00 0.00 O ATOM 1740 CB VAL A 115 0.306 -0.443 6.023 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.198 -0.188 5.963 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.907 0.270 7.220 1.00 0.00 C ATOM 0 H VAL A 115 2.006 -1.603 4.533 1.00 0.00 H new ATOM 0 HA VAL A 115 0.926 -2.183 7.103 1.00 0.00 H new ATOM 0 HB VAL A 115 0.750 -0.047 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.384 0.885 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.612 -0.660 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.674 -0.607 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.673 1.333 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.492 -0.147 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.989 0.136 7.218 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.953 -2.769 4.426 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.095 -3.532 3.934 1.00 0.00 C ATOM 1754 C ASP A 116 -1.926 -5.012 4.262 1.00 0.00 C ATOM 1755 O ASP A 116 -2.892 -5.703 4.594 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.253 -3.334 2.423 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.565 -4.625 1.690 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.756 -4.992 1.611 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.617 -5.270 1.193 1.00 0.00 O ATOM 0 H ASP A 116 -0.459 -2.240 3.707 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.996 -3.169 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.050 -2.614 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.336 -2.905 2.020 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.690 -5.491 4.164 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.382 -6.874 4.489 1.00 0.00 C ATOM 1766 C GLU A 117 -0.470 -7.067 5.992 1.00 0.00 C ATOM 1767 O GLU A 117 -0.941 -8.098 6.475 1.00 0.00 O ATOM 1768 CB GLU A 117 1.019 -7.227 3.979 1.00 0.00 C ATOM 1769 CG GLU A 117 1.903 -7.917 5.004 1.00 0.00 C ATOM 1770 CD GLU A 117 3.046 -8.685 4.370 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.584 -8.213 3.346 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.403 -9.760 4.898 1.00 0.00 O ATOM 0 H GLU A 117 0.113 -4.939 3.862 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.100 -7.536 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.923 -7.873 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.513 -6.314 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.307 -7.172 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.297 -8.601 5.598 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.028 -6.052 6.726 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.087 -6.083 8.176 1.00 0.00 C ATOM 1781 C ALA A 118 -1.531 -6.157 8.634 1.00 0.00 C ATOM 1782 O ALA A 118 -1.821 -6.686 9.699 1.00 0.00 O ATOM 1783 CB ALA A 118 0.604 -4.873 8.779 1.00 0.00 C ATOM 0 H ALA A 118 0.374 -5.199 6.337 1.00 0.00 H new ATOM 0 HA ALA A 118 0.440 -6.972 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.544 -4.924 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.650 -4.862 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.115 -3.963 8.431 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.438 -5.640 7.809 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.858 -5.709 8.112 1.00 0.00 C ATOM 1791 C VAL A 119 -4.297 -7.151 8.179 1.00 0.00 C ATOM 1792 O VAL A 119 -4.977 -7.568 9.112 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.702 -4.994 7.063 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.143 -4.912 7.536 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.131 -3.621 6.777 1.00 0.00 C ATOM 0 H VAL A 119 -2.213 -5.172 6.931 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.007 -5.214 9.072 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.681 -5.559 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.744 -4.400 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.533 -5.918 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.187 -4.359 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.743 -3.121 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.127 -3.031 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.111 -3.721 6.405 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.893 -7.908 7.172 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.196 -9.320 7.117 1.00 0.00 C ATOM 1807 C ALA A 120 -3.630 -10.018 8.344 1.00 0.00 C ATOM 1808 O ALA A 120 -4.112 -11.071 8.759 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.619 -9.916 5.844 1.00 0.00 C ATOM 0 H ALA A 120 -3.352 -7.562 6.380 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.277 -9.461 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.848 -10.981 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.056 -9.418 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.538 -9.777 5.835 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.606 -9.400 8.919 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.958 -9.912 10.114 1.00 0.00 C ATOM 1817 C VAL A 121 -2.673 -9.407 11.366 1.00 0.00 C ATOM 1818 O VAL A 121 -2.783 -10.117 12.369 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.477 -9.480 10.137 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.102 -9.554 11.539 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.334 -10.329 9.170 1.00 0.00 C ATOM 0 H VAL A 121 -2.204 -8.531 8.568 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.010 -11.001 10.101 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.424 -8.439 9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.146 -9.243 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.460 -8.894 12.200 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.036 -10.578 11.906 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.377 -10.014 9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.264 -11.377 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.058 -10.205 8.160 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.162 -8.174 11.293 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.893 -7.576 12.400 1.00 0.00 C ATOM 1833 C LEU A 122 -5.196 -8.328 12.600 1.00 0.00 C ATOM 1834 O LEU A 122 -5.612 -8.592 13.726 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.145 -6.086 12.131 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.613 -5.647 12.101 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.990 -4.969 13.409 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.866 -4.715 10.927 1.00 0.00 C ATOM 0 H LEU A 122 -3.064 -7.570 10.477 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.302 -7.649 13.313 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.629 -5.507 12.897 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.690 -5.828 11.175 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.236 -6.533 11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.036 -4.663 13.372 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.845 -5.665 14.235 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.360 -4.092 13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.913 -4.413 10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.234 -3.832 11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.632 -5.231 9.996 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.805 -8.711 11.488 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.019 -9.502 11.510 1.00 0.00 C ATOM 1852 C GLN A 123 -6.689 -10.924 11.948 1.00 0.00 C ATOM 1853 O GLN A 123 -7.511 -11.612 12.553 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.664 -9.505 10.121 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.185 -8.144 9.688 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.685 -8.136 9.467 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.424 -8.878 10.114 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.142 -7.296 8.546 1.00 0.00 N ATOM 0 H GLN A 123 -5.471 -8.482 10.552 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.725 -9.068 12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.933 -9.854 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.488 -10.219 10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.929 -7.404 10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.684 -7.844 8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.493 -6.699 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.142 -7.248 8.351 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.463 -11.345 11.643 1.00 0.00 N ATOM 1868 CA ALA A 124 -4.983 -12.672 12.009 1.00 0.00 C ATOM 1869 C ALA A 124 -4.327 -12.670 13.379 1.00 0.00 C ATOM 1870 O ALA A 124 -3.683 -13.643 13.765 1.00 0.00 O ATOM 1871 CB ALA A 124 -3.999 -13.179 10.972 1.00 0.00 C ATOM 0 H ALA A 124 -4.780 -10.779 11.139 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.847 -13.336 12.047 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.648 -14.171 11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.490 -13.233 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.150 -12.498 10.912 1.00 0.00 H new