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 104 MET CE :methyl 159:sc= -7.52! (180deg=-9.56!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 155:sc= -12.1! (180deg=-14!) USER MOD Set 2.1: A 103 HIS : no HD1:sc= -0.606 X(o=-1.4,f=-1.1) USER MOD Set 2.2: A 110 SER OG : rot 90:sc= -0.789 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.249 USER MOD Set 3.2: A 57 MET CE :methyl 176:sc= -2.37 (180deg=-2.46) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 60 SER OG : rot -36:sc= 0.315 USER MOD Single : A 66 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0483 X(o=-0.048,f=-0.26) USER MOD Single : A 69 MET CE :methyl -162:sc= -0.0114 (180deg=-0.725) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 81 MET CE :methyl -134:sc= -1.22 (180deg=-4.45!) USER MOD Single : A 82 HIS : no HD1:sc= -5.02! C(o=-5!,f=-9.4!) USER MOD Single : A 84 THR OG1 : rot -5:sc= 0.756 USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 0.891 (180deg=0.736) USER MOD Single : A 90 THR OG1 : rot -95:sc= -1.2 USER MOD Single : A 92 MET CE :methyl 167:sc= -6.16! (180deg=-6.76!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 83:sc= 0.253 USER MOD Single : A 123 GLN : amide:sc= -0.679 X(o=-0.68,f=-1) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.555 8.893 3.714 1.00 0.00 N ATOM 766 CA LEU A 53 1.873 8.890 4.336 1.00 0.00 C ATOM 767 C LEU A 53 2.680 7.675 3.897 1.00 0.00 C ATOM 768 O LEU A 53 2.119 6.628 3.573 1.00 0.00 O ATOM 769 CB LEU A 53 1.741 8.890 5.860 1.00 0.00 C ATOM 770 CG LEU A 53 2.629 9.894 6.598 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.784 10.820 7.453 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.650 9.173 7.460 1.00 0.00 C ATOM 0 HA LEU A 53 2.395 9.792 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.701 9.093 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.971 7.890 6.227 1.00 0.00 H new ATOM 0 HG LEU A 53 3.161 10.490 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.431 11.528 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.085 11.365 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.228 10.234 8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.272 9.904 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.134 8.553 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.278 8.543 6.830 1.00 0.00 H new ATOM 784 N THR A 54 3.999 7.822 3.898 1.00 0.00 N ATOM 785 CA THR A 54 4.896 6.737 3.530 1.00 0.00 C ATOM 786 C THR A 54 6.328 7.096 3.895 1.00 0.00 C ATOM 787 O THR A 54 6.563 8.059 4.623 1.00 0.00 O ATOM 788 CB THR A 54 4.794 6.427 2.034 1.00 0.00 C ATOM 789 OG1 THR A 54 4.004 7.399 1.370 1.00 0.00 O ATOM 790 CG2 THR A 54 4.195 5.068 1.747 1.00 0.00 C ATOM 0 H THR A 54 4.473 8.689 4.152 1.00 0.00 H new ATOM 0 HA THR A 54 4.600 5.846 4.084 1.00 0.00 H new ATOM 0 HB THR A 54 5.820 6.439 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.953 7.183 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.151 4.910 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.814 4.294 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.189 5.019 2.163 1.00 0.00 H new ATOM 798 N ALA A 55 7.279 6.326 3.386 1.00 0.00 N ATOM 799 CA ALA A 55 8.684 6.560 3.686 1.00 0.00 C ATOM 800 C ALA A 55 9.102 7.984 3.332 1.00 0.00 C ATOM 801 O ALA A 55 9.937 8.581 4.011 1.00 0.00 O ATOM 802 CB ALA A 55 9.550 5.553 2.956 1.00 0.00 C ATOM 0 H ALA A 55 7.104 5.536 2.765 1.00 0.00 H new ATOM 0 HA ALA A 55 8.824 6.434 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.599 5.739 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.281 4.545 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.394 5.650 1.882 1.00 0.00 H new ATOM 808 N SER A 56 8.518 8.524 2.266 1.00 0.00 N ATOM 809 CA SER A 56 8.827 9.882 1.832 1.00 0.00 C ATOM 810 C SER A 56 8.381 10.896 2.880 1.00 0.00 C ATOM 811 O SER A 56 9.162 11.748 3.307 1.00 0.00 O ATOM 812 CB SER A 56 8.147 10.182 0.494 1.00 0.00 C ATOM 813 OG SER A 56 8.677 9.373 -0.542 1.00 0.00 O ATOM 0 H SER A 56 7.829 8.042 1.688 1.00 0.00 H new ATOM 0 HA SER A 56 9.907 9.962 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.074 10.009 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.281 11.234 0.242 1.00 0.00 H new ATOM 0 HG SER A 56 8.224 9.583 -1.385 1.00 0.00 H new ATOM 819 N MET A 57 7.123 10.791 3.298 1.00 0.00 N ATOM 820 CA MET A 57 6.574 11.686 4.309 1.00 0.00 C ATOM 821 C MET A 57 7.392 11.600 5.590 1.00 0.00 C ATOM 822 O MET A 57 7.622 12.603 6.266 1.00 0.00 O ATOM 823 CB MET A 57 5.120 11.319 4.607 1.00 0.00 C ATOM 824 CG MET A 57 4.124 11.770 3.546 1.00 0.00 C ATOM 825 SD MET A 57 4.889 12.149 1.957 1.00 0.00 S ATOM 826 CE MET A 57 4.704 10.582 1.110 1.00 0.00 C ATOM 0 H MET A 57 6.464 10.094 2.951 1.00 0.00 H new ATOM 0 HA MET A 57 6.615 12.705 3.925 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.047 10.237 4.719 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.836 11.758 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.378 10.988 3.404 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.596 12.653 3.906 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.066 10.677 0.086 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.281 9.817 1.630 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.652 10.297 1.098 1.00 0.00 H new ATOM 836 N LEU A 58 7.825 10.389 5.913 1.00 0.00 N ATOM 837 CA LEU A 58 8.635 10.150 7.098 1.00 0.00 C ATOM 838 C LEU A 58 9.961 10.886 6.996 1.00 0.00 C ATOM 839 O LEU A 58 10.412 11.516 7.952 1.00 0.00 O ATOM 840 CB LEU A 58 8.887 8.655 7.255 1.00 0.00 C ATOM 841 CG LEU A 58 7.630 7.798 7.354 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.928 6.368 6.926 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.075 7.843 8.768 1.00 0.00 C ATOM 0 H LEU A 58 7.626 9.551 5.366 1.00 0.00 H new ATOM 0 HA LEU A 58 8.096 10.522 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.478 8.310 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.489 8.495 8.149 1.00 0.00 H new ATOM 0 HG LEU A 58 6.874 8.199 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.021 5.769 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.281 6.363 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.696 5.947 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.177 7.227 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.822 7.462 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.827 8.872 9.029 1.00 0.00 H new ATOM 855 N ALA A 59 10.578 10.796 5.824 1.00 0.00 N ATOM 856 CA ALA A 59 11.856 11.454 5.574 1.00 0.00 C ATOM 857 C ALA A 59 11.731 12.965 5.730 1.00 0.00 C ATOM 858 O ALA A 59 12.733 13.670 5.854 1.00 0.00 O ATOM 859 CB ALA A 59 12.370 11.102 4.187 1.00 0.00 C ATOM 0 H ALA A 59 10.213 10.272 5.029 1.00 0.00 H new ATOM 0 HA ALA A 59 12.573 11.097 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.324 11.600 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.506 10.023 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.649 11.430 3.438 1.00 0.00 H new ATOM 865 N SER A 60 10.495 13.457 5.727 1.00 0.00 N ATOM 866 CA SER A 60 10.241 14.886 5.878 1.00 0.00 C ATOM 867 C SER A 60 10.497 15.336 7.313 1.00 0.00 C ATOM 868 O SER A 60 10.462 16.528 7.615 1.00 0.00 O ATOM 869 CB SER A 60 8.801 15.215 5.483 1.00 0.00 C ATOM 870 OG SER A 60 8.578 16.615 5.485 1.00 0.00 O ATOM 0 H SER A 60 9.655 12.888 5.622 1.00 0.00 H new ATOM 0 HA SER A 60 10.925 15.421 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.591 14.812 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.111 14.733 6.176 1.00 0.00 H new ATOM 0 HG SER A 60 9.086 17.026 6.215 1.00 0.00 H new ATOM 876 N ALA A 61 10.775 14.374 8.189 1.00 0.00 N ATOM 877 CA ALA A 61 11.042 14.671 9.593 1.00 0.00 C ATOM 878 C ALA A 61 12.290 13.934 10.084 1.00 0.00 C ATOM 879 O ALA A 61 12.218 13.127 11.012 1.00 0.00 O ATOM 880 CB ALA A 61 9.837 14.301 10.445 1.00 0.00 C ATOM 0 H ALA A 61 10.821 13.383 7.951 1.00 0.00 H new ATOM 0 HA ALA A 61 11.226 15.741 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.047 14.527 11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.970 14.874 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.629 13.236 10.339 1.00 0.00 H new ATOM 946 N GLN A 66 10.748 10.527 12.093 1.00 0.00 N ATOM 947 CA GLN A 66 11.463 9.540 11.282 1.00 0.00 C ATOM 948 C GLN A 66 11.343 8.143 11.883 1.00 0.00 C ATOM 949 O GLN A 66 11.587 7.141 11.210 1.00 0.00 O ATOM 950 CB GLN A 66 12.936 9.919 11.139 1.00 0.00 C ATOM 951 CG GLN A 66 13.312 10.321 9.727 1.00 0.00 C ATOM 952 CD GLN A 66 14.765 10.034 9.403 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.094 9.618 8.292 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.646 10.255 10.373 1.00 0.00 N ATOM 0 HA GLN A 66 11.004 9.532 10.294 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.161 10.743 11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.554 9.075 11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.675 9.789 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.118 11.385 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.331 10.600 11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.638 10.079 10.211 1.00 0.00 H new ATOM 963 N LYS A 67 10.961 8.088 13.151 1.00 0.00 N ATOM 964 CA LYS A 67 10.780 6.825 13.853 1.00 0.00 C ATOM 965 C LYS A 67 9.502 6.860 14.683 1.00 0.00 C ATOM 966 O LYS A 67 9.253 5.974 15.500 1.00 0.00 O ATOM 967 CB LYS A 67 11.984 6.530 14.751 1.00 0.00 C ATOM 968 CG LYS A 67 13.318 6.590 14.022 1.00 0.00 C ATOM 969 CD LYS A 67 14.408 7.188 14.895 1.00 0.00 C ATOM 970 CE LYS A 67 15.403 7.989 14.073 1.00 0.00 C ATOM 971 NZ LYS A 67 16.788 7.456 14.200 1.00 0.00 N ATOM 0 H LYS A 67 10.769 8.913 13.720 1.00 0.00 H new ATOM 0 HA LYS A 67 10.697 6.029 13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.997 7.245 15.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.864 5.540 15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.609 5.586 13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.211 7.185 13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.958 7.831 15.651 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.930 6.391 15.424 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.103 7.974 13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.384 9.030 14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.435 8.031 13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.085 7.494 15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.812 6.470 13.869 1.00 0.00 H new ATOM 985 N GLN A 68 8.686 7.887 14.452 1.00 0.00 N ATOM 986 CA GLN A 68 7.437 8.052 15.189 1.00 0.00 C ATOM 987 C GLN A 68 6.224 8.058 14.253 1.00 0.00 C ATOM 988 O GLN A 68 5.301 7.262 14.422 1.00 0.00 O ATOM 989 CB GLN A 68 7.482 9.350 16.005 1.00 0.00 C ATOM 990 CG GLN A 68 6.109 9.903 16.360 1.00 0.00 C ATOM 991 CD GLN A 68 6.026 10.381 17.796 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.473 9.697 18.717 1.00 0.00 O ATOM 993 NE2 GLN A 68 5.451 11.562 17.994 1.00 0.00 N ATOM 0 H GLN A 68 8.868 8.615 13.761 1.00 0.00 H new ATOM 0 HA GLN A 68 7.329 7.202 15.862 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.039 9.171 16.924 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.032 10.103 15.441 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.871 10.730 15.691 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.357 9.132 16.194 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.094 12.095 17.201 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.366 11.936 18.939 1.00 0.00 H new ATOM 1002 N MET A 69 6.225 8.968 13.280 1.00 0.00 N ATOM 1003 CA MET A 69 5.100 9.110 12.353 1.00 0.00 C ATOM 1004 C MET A 69 4.849 7.840 11.545 1.00 0.00 C ATOM 1005 O MET A 69 3.873 7.758 10.800 1.00 0.00 O ATOM 1006 CB MET A 69 5.347 10.268 11.389 1.00 0.00 C ATOM 1007 CG MET A 69 5.681 11.581 12.075 1.00 0.00 C ATOM 1008 SD MET A 69 5.552 12.995 10.965 1.00 0.00 S ATOM 1009 CE MET A 69 6.708 12.519 9.687 1.00 0.00 C ATOM 0 H MET A 69 6.992 9.619 13.112 1.00 0.00 H new ATOM 0 HA MET A 69 4.217 9.307 12.962 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.164 10.002 10.719 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.460 10.408 10.770 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.009 11.726 12.921 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.693 11.530 12.476 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.987 13.397 9.104 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.599 12.088 10.144 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.244 11.781 9.033 1.00 0.00 H new ATOM 1019 N LEU A 70 5.744 6.874 11.659 1.00 0.00 N ATOM 1020 CA LEU A 70 5.609 5.626 10.915 1.00 0.00 C ATOM 1021 C LEU A 70 4.374 4.875 11.372 1.00 0.00 C ATOM 1022 O LEU A 70 3.560 4.435 10.560 1.00 0.00 O ATOM 1023 CB LEU A 70 6.849 4.743 11.089 1.00 0.00 C ATOM 1024 CG LEU A 70 7.895 5.269 12.071 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.919 4.192 12.390 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.569 6.506 11.503 1.00 0.00 C ATOM 0 H LEU A 70 6.570 6.926 12.256 1.00 0.00 H new ATOM 0 HA LEU A 70 5.509 5.873 9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.528 3.756 11.421 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.322 4.614 10.115 1.00 0.00 H new ATOM 0 HG LEU A 70 7.396 5.544 13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.655 4.586 13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.417 3.333 12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.420 3.883 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.312 6.873 12.211 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.057 6.254 10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.822 7.280 11.329 1.00 0.00 H new ATOM 1038 N GLY A 71 4.237 4.741 12.680 1.00 0.00 N ATOM 1039 CA GLY A 71 3.086 4.074 13.233 1.00 0.00 C ATOM 1040 C GLY A 71 2.265 5.001 14.101 1.00 0.00 C ATOM 1041 O GLY A 71 1.397 4.556 14.853 1.00 0.00 O ATOM 0 H GLY A 71 4.906 5.084 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.465 3.688 12.424 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.411 3.216 13.822 1.00 0.00 H new ATOM 1045 N GLU A 72 2.532 6.303 13.987 1.00 0.00 N ATOM 1046 CA GLU A 72 1.811 7.293 14.777 1.00 0.00 C ATOM 1047 C GLU A 72 1.228 8.404 13.903 1.00 0.00 C ATOM 1048 O GLU A 72 0.581 9.321 14.410 1.00 0.00 O ATOM 1049 CB GLU A 72 2.730 7.900 15.839 1.00 0.00 C ATOM 1050 CG GLU A 72 3.222 6.892 16.865 1.00 0.00 C ATOM 1051 CD GLU A 72 2.999 7.356 18.291 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.839 7.315 18.754 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.983 7.760 18.945 1.00 0.00 O ATOM 0 H GLU A 72 3.237 6.691 13.360 1.00 0.00 H new ATOM 0 HA GLU A 72 0.983 6.778 15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.590 8.354 15.347 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.198 8.700 16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.709 5.943 16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.285 6.709 16.708 1.00 0.00 H new ATOM 1060 N ARG A 73 1.421 8.303 12.591 1.00 0.00 N ATOM 1061 CA ARG A 73 0.895 9.305 11.669 1.00 0.00 C ATOM 1062 C ARG A 73 0.055 8.652 10.578 1.00 0.00 C ATOM 1063 O ARG A 73 -0.948 9.216 10.141 1.00 0.00 O ATOM 1064 CB ARG A 73 2.034 10.109 11.042 1.00 0.00 C ATOM 1065 CG ARG A 73 1.671 11.555 10.748 1.00 0.00 C ATOM 1066 CD ARG A 73 1.599 12.383 12.020 1.00 0.00 C ATOM 1067 NE ARG A 73 1.797 13.806 11.759 1.00 0.00 N ATOM 1068 CZ ARG A 73 1.197 14.773 12.446 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.363 14.472 13.433 1.00 0.00 N ATOM 1070 NH2 ARG A 73 1.431 16.043 12.148 1.00 0.00 N ATOM 0 H ARG A 73 1.934 7.543 12.144 1.00 0.00 H new ATOM 0 HA ARG A 73 0.258 9.982 12.238 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.893 10.088 11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.341 9.625 10.115 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.411 11.987 10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.711 11.592 10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.630 12.233 12.496 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.356 12.035 12.723 1.00 0.00 H new ATOM 0 HE ARG A 73 2.432 14.073 11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.181 13.496 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.096 15.217 13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.072 16.279 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.970 16.784 12.676 1.00 0.00 H new ATOM 1084 N LEU A 74 0.448 7.454 10.161 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.278 6.720 9.150 1.00 0.00 C ATOM 1086 C LEU A 74 -1.715 6.449 9.562 1.00 0.00 C ATOM 1087 O LEU A 74 -2.594 6.359 8.717 1.00 0.00 O ATOM 1088 CB LEU A 74 0.407 5.383 8.948 1.00 0.00 C ATOM 1089 CG LEU A 74 1.438 5.326 7.839 1.00 0.00 C ATOM 1090 CD1 LEU A 74 0.838 5.805 6.524 1.00 0.00 C ATOM 1091 CD2 LEU A 74 2.676 6.120 8.211 1.00 0.00 C ATOM 0 H LEU A 74 1.274 6.973 10.516 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.287 7.320 8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.892 5.101 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.357 4.632 8.746 1.00 0.00 H new ATOM 0 HG LEU A 74 1.744 4.289 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.594 5.757 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.005 5.168 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.495 6.834 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.402 6.064 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.403 7.161 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.115 5.706 9.119 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.911 6.216 10.856 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.216 5.823 11.397 1.00 0.00 C ATOM 1105 C PHE A 75 -4.399 6.487 10.672 1.00 0.00 C ATOM 1106 O PHE A 75 -5.238 5.787 10.101 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.278 6.100 12.904 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.535 5.598 13.560 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.161 4.446 13.109 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.086 6.282 14.632 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.320 3.992 13.712 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.241 5.828 15.240 1.00 0.00 C ATOM 1113 CZ PHE A 75 -6.857 4.681 14.780 1.00 0.00 C ATOM 0 H PHE A 75 -1.176 6.293 11.559 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.314 4.751 11.224 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.417 5.636 13.385 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.196 7.174 13.071 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.740 3.898 12.279 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.608 7.179 14.996 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.805 3.098 13.347 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.661 6.370 16.074 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.758 4.324 15.256 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.512 7.832 10.690 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.629 8.530 10.037 1.00 0.00 C ATOM 1125 C PRO A 76 -5.637 8.333 8.524 1.00 0.00 C ATOM 1126 O PRO A 76 -6.647 8.571 7.862 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.390 10.004 10.382 1.00 0.00 C ATOM 1128 CG PRO A 76 -3.939 10.091 10.704 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.584 8.778 11.339 1.00 0.00 C ATOM 0 HA PRO A 76 -6.593 8.151 10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.649 10.653 9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.002 10.316 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.348 10.263 9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.737 10.921 11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.543 8.511 11.157 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.723 8.802 12.420 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.506 7.891 7.986 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.360 7.704 6.550 1.00 0.00 C ATOM 1139 C LEU A 77 -4.559 6.247 6.126 1.00 0.00 C ATOM 1140 O LEU A 77 -4.894 5.979 4.971 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.983 8.198 6.109 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.804 9.719 6.152 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.424 10.106 5.654 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.883 10.412 5.332 1.00 0.00 C ATOM 0 H LEU A 77 -3.674 7.655 8.527 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.141 8.286 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.226 7.739 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.797 7.853 5.092 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.901 10.046 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.314 11.190 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.666 9.643 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.299 9.764 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.737 11.491 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.822 10.080 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.864 10.162 5.736 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.345 5.304 7.044 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.533 3.891 6.723 1.00 0.00 C ATOM 1158 C ILE A 78 -6.009 3.591 6.517 1.00 0.00 C ATOM 1159 O ILE A 78 -6.378 2.786 5.664 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.987 2.953 7.811 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.624 3.438 8.313 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.905 1.530 7.276 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.446 2.873 7.549 1.00 0.00 C ATOM 0 H ILE A 78 -4.046 5.489 8.001 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.970 3.707 5.808 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.670 2.962 8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.593 4.526 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.521 3.173 9.365 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.517 0.871 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.899 1.195 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.240 1.504 6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.519 3.266 7.967 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.448 1.786 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.521 3.160 6.500 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.849 4.263 7.301 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.296 4.109 7.190 1.00 0.00 C ATOM 1177 C GLN A 79 -8.744 4.342 5.751 1.00 0.00 C ATOM 1178 O GLN A 79 -9.851 3.975 5.358 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.001 5.098 8.119 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.477 4.480 9.423 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.741 5.516 10.500 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.818 6.713 10.222 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.883 5.058 11.738 1.00 0.00 N ATOM 0 H GLN A 79 -6.551 4.921 8.021 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.562 3.093 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.321 5.919 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.857 5.526 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.389 3.912 9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.728 3.773 9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.811 4.057 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.064 5.707 12.504 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.867 4.970 4.978 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.128 5.251 3.573 1.00 0.00 C ATOM 1194 C ALA A 80 -7.775 4.047 2.704 1.00 0.00 C ATOM 1195 O ALA A 80 -8.471 3.744 1.733 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.338 6.471 3.126 1.00 0.00 C ATOM 0 H ALA A 80 -6.958 5.298 5.306 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.192 5.456 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.542 6.671 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.633 7.334 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.273 6.284 3.260 1.00 0.00 H new ATOM 1202 N MET A 81 -6.681 3.373 3.051 1.00 0.00 N ATOM 1203 CA MET A 81 -6.237 2.195 2.309 1.00 0.00 C ATOM 1204 C MET A 81 -7.189 1.030 2.542 1.00 0.00 C ATOM 1205 O MET A 81 -7.576 0.328 1.608 1.00 0.00 O ATOM 1206 CB MET A 81 -4.822 1.800 2.736 1.00 0.00 C ATOM 1207 CG MET A 81 -3.907 2.986 2.986 1.00 0.00 C ATOM 1208 SD MET A 81 -2.302 2.808 2.186 1.00 0.00 S ATOM 1209 CE MET A 81 -1.289 2.328 3.582 1.00 0.00 C ATOM 0 H MET A 81 -6.086 3.622 3.841 1.00 0.00 H new ATOM 0 HA MET A 81 -6.232 2.440 1.247 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.880 1.199 3.644 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.382 1.169 1.964 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.390 3.894 2.625 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.762 3.107 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.365 2.906 3.577 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.831 2.520 4.508 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.053 1.266 3.513 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.558 0.837 3.802 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.468 -0.231 4.190 1.00 0.00 C ATOM 1221 C HIS A 82 -9.758 0.354 4.751 1.00 0.00 C ATOM 1222 O HIS A 82 -9.758 1.473 5.255 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.804 -1.119 5.242 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.102 -2.311 4.673 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.302 -3.568 5.182 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.210 -2.382 3.655 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.542 -4.376 4.466 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.856 -3.700 3.535 1.00 0.00 N ATOM 0 H HIS A 82 -7.236 1.414 4.580 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.705 -0.829 3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.087 -0.523 5.807 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.562 -1.459 5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.849 -1.560 3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.481 -5.444 4.612 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.195 -4.092 2.864 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.875 -0.394 4.684 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.168 0.071 5.204 1.00 0.00 C ATOM 1238 C PRO A 83 -12.130 0.295 6.715 1.00 0.00 C ATOM 1239 O PRO A 83 -12.652 -0.512 7.484 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.137 -1.067 4.854 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.440 -1.869 3.807 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.973 -1.741 4.100 1.00 0.00 C ATOM 0 HA PRO A 83 -12.456 1.031 4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.363 -1.675 5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.085 -0.677 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.755 -2.912 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.673 -1.496 2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.630 -2.509 4.794 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.370 -1.835 3.197 1.00 0.00 H new ATOM 1250 N THR A 84 -11.503 1.395 7.127 1.00 0.00 N ATOM 1251 CA THR A 84 -11.373 1.735 8.542 1.00 0.00 C ATOM 1252 C THR A 84 -10.909 0.530 9.360 1.00 0.00 C ATOM 1253 O THR A 84 -11.453 0.244 10.427 1.00 0.00 O ATOM 1254 CB THR A 84 -12.704 2.262 9.088 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.661 1.220 9.171 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.302 3.370 8.251 1.00 0.00 C ATOM 0 H THR A 84 -11.074 2.071 6.495 1.00 0.00 H new ATOM 0 HA THR A 84 -10.618 2.516 8.631 1.00 0.00 H new ATOM 0 HB THR A 84 -12.470 2.663 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.286 0.400 8.786 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.243 3.695 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.609 4.211 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.486 3.004 7.241 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.897 -0.168 8.854 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.361 -1.346 9.529 1.00 0.00 C ATOM 1266 C LEU A 85 -8.044 -1.026 10.227 1.00 0.00 C ATOM 1267 O LEU A 85 -7.359 -1.920 10.723 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.146 -2.474 8.521 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.126 -3.646 8.634 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.531 -3.210 8.249 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.670 -4.808 7.765 1.00 0.00 C ATOM 0 H LEU A 85 -9.430 0.062 7.977 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.083 -1.662 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.215 -2.059 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.132 -2.856 8.639 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.144 -3.979 9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.211 -4.057 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.859 -2.411 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.531 -2.849 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.378 -5.632 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.621 -4.487 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.683 -5.139 8.089 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.707 0.256 10.274 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.464 0.707 10.897 1.00 0.00 C ATOM 1285 C ALA A 86 -6.508 0.579 12.418 1.00 0.00 C ATOM 1286 O ALA A 86 -5.723 1.219 13.118 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.171 2.143 10.492 1.00 0.00 C ATOM 0 H ALA A 86 -8.278 1.007 9.887 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.661 0.061 10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.243 2.471 10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.071 2.202 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.989 2.787 10.816 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.399 -0.272 12.923 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.498 -0.481 14.355 1.00 0.00 C ATOM 1295 C GLY A 87 -6.145 -0.732 14.994 1.00 0.00 C ATOM 1296 O GLY A 87 -5.938 -0.423 16.168 1.00 0.00 O ATOM 0 H GLY A 87 -8.053 -0.820 12.364 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.959 0.392 14.817 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.154 -1.329 14.552 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.218 -1.275 14.208 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.868 -1.545 14.689 1.00 0.00 C ATOM 1302 C LYS A 88 -2.952 -1.979 13.546 1.00 0.00 C ATOM 1303 O LYS A 88 -2.140 -2.889 13.701 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.888 -2.623 15.774 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.549 -2.798 16.472 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.340 -4.229 16.929 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.392 -4.967 15.998 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.229 -6.395 16.389 1.00 0.00 N ATOM 0 H LYS A 88 -5.379 -1.536 13.235 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.478 -0.620 15.113 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.646 -2.369 16.515 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.184 -3.572 15.328 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.745 -2.511 15.795 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.496 -2.130 17.331 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.938 -4.236 17.942 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.298 -4.747 16.963 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.769 -4.911 14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.419 -4.475 16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.746 -6.911 15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.663 -6.454 17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.164 -6.819 16.555 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.087 -1.336 12.391 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.236 -1.666 11.260 1.00 0.00 C ATOM 1324 C ILE A 89 -0.872 -1.006 11.404 1.00 0.00 C ATOM 1325 O ILE A 89 0.073 -1.626 11.873 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.856 -1.254 9.918 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.246 -1.873 9.760 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.939 -1.691 8.788 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.085 -1.221 8.682 1.00 0.00 C ATOM 0 H ILE A 89 -3.767 -0.596 12.217 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.127 -2.751 11.262 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.968 -0.170 9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.138 -2.933 9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.775 -1.804 10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.375 -1.400 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.966 -1.213 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.817 -2.774 8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.056 -1.713 8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.225 -0.166 8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.579 -1.313 7.721 1.00 0.00 H new ATOM 1341 N THR A 90 -0.780 0.256 10.998 1.00 0.00 N ATOM 1342 CA THR A 90 0.466 1.008 11.102 1.00 0.00 C ATOM 1343 C THR A 90 0.983 0.984 12.534 1.00 0.00 C ATOM 1344 O THR A 90 2.190 0.917 12.765 1.00 0.00 O ATOM 1345 CB THR A 90 0.237 2.436 10.617 1.00 0.00 C ATOM 1346 OG1 THR A 90 1.159 2.753 9.589 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.354 3.502 11.689 1.00 0.00 C ATOM 0 H THR A 90 -1.555 0.781 10.593 1.00 0.00 H new ATOM 0 HA THR A 90 1.226 0.545 10.472 1.00 0.00 H new ATOM 0 HB THR A 90 -0.795 2.447 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.931 3.217 9.974 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.175 4.483 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.383 3.315 12.470 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.354 3.475 12.121 1.00 0.00 H new ATOM 1355 N GLY A 91 0.062 1.019 13.495 1.00 0.00 N ATOM 1356 CA GLY A 91 0.456 0.921 14.884 1.00 0.00 C ATOM 1357 C GLY A 91 1.236 -0.352 15.117 1.00 0.00 C ATOM 1358 O GLY A 91 2.138 -0.406 15.952 1.00 0.00 O ATOM 0 H GLY A 91 -0.941 1.113 13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.063 1.783 15.159 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.428 0.937 15.522 1.00 0.00 H new ATOM 1362 N MET A 92 0.907 -1.366 14.324 1.00 0.00 N ATOM 1363 CA MET A 92 1.611 -2.639 14.364 1.00 0.00 C ATOM 1364 C MET A 92 2.958 -2.503 13.691 1.00 0.00 C ATOM 1365 O MET A 92 3.937 -3.128 14.091 1.00 0.00 O ATOM 1366 CB MET A 92 0.824 -3.719 13.628 1.00 0.00 C ATOM 1367 CG MET A 92 1.270 -5.126 13.988 1.00 0.00 C ATOM 1368 SD MET A 92 0.074 -6.399 13.540 1.00 0.00 S ATOM 1369 CE MET A 92 -0.688 -5.653 12.106 1.00 0.00 C ATOM 0 H MET A 92 0.150 -1.328 13.641 1.00 0.00 H new ATOM 0 HA MET A 92 1.730 -2.920 15.410 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.236 -3.609 13.858 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.934 -3.572 12.553 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.216 -5.337 13.490 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.456 -5.176 15.061 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.280 -6.401 11.578 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.335 -4.835 12.422 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.086 -5.268 11.442 1.00 0.00 H new ATOM 1379 N LEU A 93 2.979 -1.699 12.638 1.00 0.00 N ATOM 1380 CA LEU A 93 4.176 -1.490 11.841 1.00 0.00 C ATOM 1381 C LEU A 93 5.314 -0.917 12.678 1.00 0.00 C ATOM 1382 O LEU A 93 6.434 -0.754 12.195 1.00 0.00 O ATOM 1383 CB LEU A 93 3.852 -0.576 10.670 1.00 0.00 C ATOM 1384 CG LEU A 93 3.220 -1.272 9.455 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.185 -2.286 8.860 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.907 -1.946 9.833 1.00 0.00 C ATOM 0 H LEU A 93 2.167 -1.174 12.313 1.00 0.00 H new ATOM 0 HA LEU A 93 4.512 -2.455 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.174 0.205 11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.770 -0.082 10.350 1.00 0.00 H new ATOM 0 HG LEU A 93 3.007 -0.511 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.721 -2.769 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.096 -1.779 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.431 -3.038 9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.481 -2.431 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.090 -2.692 10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.209 -1.198 10.209 1.00 0.00 H new ATOM 1398 N LEU A 94 5.026 -0.633 13.941 1.00 0.00 N ATOM 1399 CA LEU A 94 6.042 -0.170 14.868 1.00 0.00 C ATOM 1400 C LEU A 94 6.327 -1.273 15.874 1.00 0.00 C ATOM 1401 O LEU A 94 6.727 -1.017 17.010 1.00 0.00 O ATOM 1402 CB LEU A 94 5.581 1.102 15.580 1.00 0.00 C ATOM 1403 CG LEU A 94 6.193 2.400 15.044 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.006 2.495 13.538 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.579 3.605 15.740 1.00 0.00 C ATOM 0 H LEU A 94 4.093 -0.716 14.345 1.00 0.00 H new ATOM 0 HA LEU A 94 6.954 0.068 14.320 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.496 1.171 15.504 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.821 1.015 16.640 1.00 0.00 H new ATOM 0 HG LEU A 94 7.262 2.391 15.255 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.447 3.423 13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.495 1.648 13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.942 2.482 13.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.025 4.519 15.347 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.504 3.620 15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.767 3.541 16.812 1.00 0.00 H new ATOM 1417 N GLU A 95 6.080 -2.508 15.441 1.00 0.00 N ATOM 1418 CA GLU A 95 6.265 -3.678 16.287 1.00 0.00 C ATOM 1419 C GLU A 95 6.129 -4.971 15.485 1.00 0.00 C ATOM 1420 O GLU A 95 6.214 -6.064 16.047 1.00 0.00 O ATOM 1421 CB GLU A 95 5.243 -3.667 17.426 1.00 0.00 C ATOM 1422 CG GLU A 95 3.823 -3.988 16.979 1.00 0.00 C ATOM 1423 CD GLU A 95 2.901 -4.292 18.144 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.391 -4.794 19.177 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.686 -4.027 18.023 1.00 0.00 O ATOM 0 H GLU A 95 5.749 -2.722 14.500 1.00 0.00 H new ATOM 0 HA GLU A 95 7.273 -3.638 16.700 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.548 -4.390 18.183 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.252 -2.686 17.900 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.424 -3.145 16.415 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.843 -4.843 16.303 1.00 0.00 H new ATOM 1432 N ILE A 96 5.941 -4.848 14.169 1.00 0.00 N ATOM 1433 CA ILE A 96 5.791 -6.027 13.309 1.00 0.00 C ATOM 1434 C ILE A 96 7.053 -6.883 13.304 1.00 0.00 C ATOM 1435 O ILE A 96 7.826 -6.895 14.263 1.00 0.00 O ATOM 1436 CB ILE A 96 5.486 -5.661 11.836 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.664 -4.920 11.198 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.204 -4.862 11.705 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.952 -3.566 11.795 1.00 0.00 C ATOM 0 H ILE A 96 5.889 -3.955 13.679 1.00 0.00 H new ATOM 0 HA ILE A 96 4.950 -6.576 13.732 1.00 0.00 H new ATOM 0 HB ILE A 96 5.340 -6.596 11.295 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.557 -5.539 11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.466 -4.798 10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.028 -4.626 10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.369 -5.448 12.091 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.292 -3.937 12.275 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.801 -3.115 11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.078 -2.925 11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.186 -3.677 12.854 1.00 0.00 H new ATOM 1451 N ASP A 97 7.268 -7.569 12.183 1.00 0.00 N ATOM 1452 CA ASP A 97 8.446 -8.391 11.979 1.00 0.00 C ATOM 1453 C ASP A 97 9.721 -7.559 12.081 1.00 0.00 C ATOM 1454 O ASP A 97 10.828 -8.086 11.959 1.00 0.00 O ATOM 1455 CB ASP A 97 8.361 -9.046 10.601 1.00 0.00 C ATOM 1456 CG ASP A 97 9.161 -10.331 10.514 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.658 -11.377 10.975 1.00 0.00 O ATOM 1458 OD2 ASP A 97 10.293 -10.290 9.986 1.00 0.00 O ATOM 0 H ASP A 97 6.624 -7.566 11.392 1.00 0.00 H new ATOM 0 HA ASP A 97 8.482 -9.155 12.756 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.317 -9.256 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.722 -8.346 9.848 1.00 0.00 H new ATOM 1463 N ASN A 98 9.542 -6.250 12.275 1.00 0.00 N ATOM 1464 CA ASN A 98 10.648 -5.302 12.389 1.00 0.00 C ATOM 1465 C ASN A 98 11.228 -4.966 11.023 1.00 0.00 C ATOM 1466 O ASN A 98 11.696 -3.850 10.795 1.00 0.00 O ATOM 1467 CB ASN A 98 11.744 -5.829 13.320 1.00 0.00 C ATOM 1468 CG ASN A 98 11.486 -5.481 14.772 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.435 -5.807 15.322 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.447 -4.815 15.401 1.00 0.00 N ATOM 0 H ASN A 98 8.622 -5.818 12.357 1.00 0.00 H new ATOM 0 HA ASN A 98 10.245 -4.388 12.825 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.816 -6.912 13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.705 -5.415 13.015 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.330 -4.553 16.380 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.303 -4.565 14.905 1.00 0.00 H new ATOM 1477 N SER A 99 11.180 -5.927 10.111 1.00 0.00 N ATOM 1478 CA SER A 99 11.671 -5.710 8.757 1.00 0.00 C ATOM 1479 C SER A 99 10.766 -4.728 8.031 1.00 0.00 C ATOM 1480 O SER A 99 11.232 -3.895 7.254 1.00 0.00 O ATOM 1481 CB SER A 99 11.744 -7.028 7.989 1.00 0.00 C ATOM 1482 OG SER A 99 10.826 -7.045 6.910 1.00 0.00 O ATOM 0 H SER A 99 10.808 -6.861 10.283 1.00 0.00 H new ATOM 0 HA SER A 99 12.677 -5.294 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.756 -7.176 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.531 -7.857 8.664 1.00 0.00 H new ATOM 0 HG SER A 99 10.895 -7.899 6.435 1.00 0.00 H new ATOM 1488 N GLU A 100 9.471 -4.815 8.315 1.00 0.00 N ATOM 1489 CA GLU A 100 8.502 -3.898 7.733 1.00 0.00 C ATOM 1490 C GLU A 100 8.728 -2.501 8.295 1.00 0.00 C ATOM 1491 O GLU A 100 8.831 -1.541 7.544 1.00 0.00 O ATOM 1492 CB GLU A 100 7.069 -4.384 7.986 1.00 0.00 C ATOM 1493 CG GLU A 100 6.949 -5.897 8.029 1.00 0.00 C ATOM 1494 CD GLU A 100 5.602 -6.389 7.537 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.574 -5.997 8.130 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.575 -7.166 6.560 1.00 0.00 O ATOM 0 H GLU A 100 9.070 -5.511 8.944 1.00 0.00 H new ATOM 0 HA GLU A 100 8.641 -3.864 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.714 -3.971 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.417 -3.996 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.738 -6.338 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.106 -6.241 9.051 1.00 0.00 H new ATOM 1503 N LEU A 101 8.941 -2.415 9.602 1.00 0.00 N ATOM 1504 CA LEU A 101 9.227 -1.137 10.244 1.00 0.00 C ATOM 1505 C LEU A 101 10.420 -0.451 9.576 1.00 0.00 C ATOM 1506 O LEU A 101 10.578 0.766 9.665 1.00 0.00 O ATOM 1507 CB LEU A 101 9.512 -1.347 11.734 1.00 0.00 C ATOM 1508 CG LEU A 101 10.117 -0.143 12.461 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.312 0.190 13.707 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.571 -0.413 12.820 1.00 0.00 C ATOM 0 H LEU A 101 8.921 -3.213 10.237 1.00 0.00 H new ATOM 0 HA LEU A 101 8.353 -0.495 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.581 -1.620 12.230 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.190 -2.194 11.841 1.00 0.00 H new ATOM 0 HG LEU A 101 10.081 0.716 11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.758 1.048 14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.286 0.427 13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.314 -0.667 14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.985 0.453 13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.629 -1.285 13.471 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.142 -0.600 11.910 1.00 0.00 H new ATOM 1522 N LEU A 102 11.249 -1.241 8.897 1.00 0.00 N ATOM 1523 CA LEU A 102 12.439 -0.720 8.224 1.00 0.00 C ATOM 1524 C LEU A 102 12.157 -0.372 6.770 1.00 0.00 C ATOM 1525 O LEU A 102 12.574 0.679 6.285 1.00 0.00 O ATOM 1526 CB LEU A 102 13.572 -1.748 8.298 1.00 0.00 C ATOM 1527 CG LEU A 102 14.652 -1.448 9.341 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.163 -1.808 10.735 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.933 -2.199 9.012 1.00 0.00 C ATOM 0 H LEU A 102 11.119 -2.248 8.798 1.00 0.00 H new ATOM 0 HA LEU A 102 12.736 0.195 8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.141 -2.726 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.044 -1.817 7.318 1.00 0.00 H new ATOM 0 HG LEU A 102 14.865 -0.379 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.944 -1.588 11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.273 -1.225 10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.921 -2.870 10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.690 -1.974 9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.735 -3.271 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.294 -1.891 8.031 1.00 0.00 H new ATOM 1541 N HIS A 103 11.466 -1.261 6.073 1.00 0.00 N ATOM 1542 CA HIS A 103 11.177 -1.058 4.664 1.00 0.00 C ATOM 1543 C HIS A 103 10.166 0.067 4.451 1.00 0.00 C ATOM 1544 O HIS A 103 10.197 0.750 3.429 1.00 0.00 O ATOM 1545 CB HIS A 103 10.659 -2.361 4.057 1.00 0.00 C ATOM 1546 CG HIS A 103 11.303 -2.717 2.751 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.552 -4.025 2.410 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.721 -1.910 1.745 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.114 -3.987 1.214 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.237 -2.728 0.773 1.00 0.00 N ATOM 0 H HIS A 103 11.096 -2.129 6.461 1.00 0.00 H new ATOM 0 HA HIS A 103 12.100 -0.763 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.824 -3.172 4.766 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.582 -2.280 3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.660 -0.832 1.715 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.433 -4.859 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.638 -2.434 -0.117 1.00 0.00 H new ATOM 1558 N MET A 104 9.272 0.258 5.417 1.00 0.00 N ATOM 1559 CA MET A 104 8.260 1.307 5.322 1.00 0.00 C ATOM 1560 C MET A 104 8.907 2.684 5.335 1.00 0.00 C ATOM 1561 O MET A 104 8.411 3.614 4.706 1.00 0.00 O ATOM 1562 CB MET A 104 7.269 1.198 6.475 1.00 0.00 C ATOM 1563 CG MET A 104 7.943 1.142 7.826 1.00 0.00 C ATOM 1564 SD MET A 104 7.034 2.055 9.079 1.00 0.00 S ATOM 1565 CE MET A 104 5.373 1.506 8.707 1.00 0.00 C ATOM 0 H MET A 104 9.227 -0.297 6.272 1.00 0.00 H new ATOM 0 HA MET A 104 7.729 1.176 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.592 2.052 6.447 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.660 0.304 6.341 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.042 0.102 8.137 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.951 1.548 7.744 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.736 1.658 9.578 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.980 2.078 7.866 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.389 0.447 8.449 1.00 0.00 H new ATOM 1575 N LEU A 105 9.997 2.813 6.086 1.00 0.00 N ATOM 1576 CA LEU A 105 10.733 4.069 6.156 1.00 0.00 C ATOM 1577 C LEU A 105 11.754 4.136 5.038 1.00 0.00 C ATOM 1578 O LEU A 105 12.355 5.180 4.786 1.00 0.00 O ATOM 1579 CB LEU A 105 11.457 4.202 7.497 1.00 0.00 C ATOM 1580 CG LEU A 105 10.715 3.625 8.697 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.636 3.547 9.905 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.493 4.465 9.005 1.00 0.00 C ATOM 0 H LEU A 105 10.389 2.062 6.654 1.00 0.00 H new ATOM 0 HA LEU A 105 10.017 4.884 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.426 3.709 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.651 5.258 7.684 1.00 0.00 H new ATOM 0 HG LEU A 105 10.388 2.614 8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.090 3.133 10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.487 2.906 9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.992 4.546 10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.970 4.045 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.801 5.486 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.828 4.470 8.142 1.00 0.00 H new ATOM 1594 N GLU A 106 11.965 2.998 4.395 1.00 0.00 N ATOM 1595 CA GLU A 106 12.970 2.888 3.359 1.00 0.00 C ATOM 1596 C GLU A 106 12.353 2.833 1.965 1.00 0.00 C ATOM 1597 O GLU A 106 13.069 2.836 0.963 1.00 0.00 O ATOM 1598 CB GLU A 106 13.811 1.636 3.613 1.00 0.00 C ATOM 1599 CG GLU A 106 14.857 1.825 4.690 1.00 0.00 C ATOM 1600 CD GLU A 106 15.772 3.004 4.423 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.734 2.844 3.643 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.527 4.087 4.994 1.00 0.00 O ATOM 0 H GLU A 106 11.450 2.137 4.576 1.00 0.00 H new ATOM 0 HA GLU A 106 13.598 3.778 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.152 0.816 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.303 1.343 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.361 1.967 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.456 0.918 4.771 1.00 0.00 H new ATOM 1609 N SER A 107 11.028 2.794 1.903 1.00 0.00 N ATOM 1610 CA SER A 107 10.333 2.727 0.619 1.00 0.00 C ATOM 1611 C SER A 107 8.974 3.424 0.679 1.00 0.00 C ATOM 1612 O SER A 107 8.194 3.200 1.604 1.00 0.00 O ATOM 1613 CB SER A 107 10.149 1.271 0.198 1.00 0.00 C ATOM 1614 OG SER A 107 10.119 1.146 -1.214 1.00 0.00 O ATOM 0 H SER A 107 10.415 2.807 2.718 1.00 0.00 H new ATOM 0 HA SER A 107 10.946 3.246 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.962 0.667 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.222 0.882 0.620 1.00 0.00 H new ATOM 0 HG SER A 107 10.002 0.204 -1.457 1.00 0.00 H new ATOM 1620 N PRO A 108 8.665 4.271 -0.325 1.00 0.00 N ATOM 1621 CA PRO A 108 7.390 4.995 -0.384 1.00 0.00 C ATOM 1622 C PRO A 108 6.227 4.091 -0.783 1.00 0.00 C ATOM 1623 O PRO A 108 5.120 4.563 -1.042 1.00 0.00 O ATOM 1624 CB PRO A 108 7.639 6.051 -1.460 1.00 0.00 C ATOM 1625 CG PRO A 108 8.652 5.432 -2.359 1.00 0.00 C ATOM 1626 CD PRO A 108 9.535 4.594 -1.474 1.00 0.00 C ATOM 0 HA PRO A 108 7.108 5.408 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.723 6.292 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.008 6.981 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.173 4.821 -3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.232 6.195 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.876 3.693 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.425 5.140 -1.162 1.00 0.00 H new ATOM 1634 N GLU A 109 6.492 2.791 -0.832 1.00 0.00 N ATOM 1635 CA GLU A 109 5.476 1.810 -1.201 1.00 0.00 C ATOM 1636 C GLU A 109 5.484 0.627 -0.245 1.00 0.00 C ATOM 1637 O GLU A 109 4.502 -0.103 -0.154 1.00 0.00 O ATOM 1638 CB GLU A 109 5.714 1.320 -2.629 1.00 0.00 C ATOM 1639 CG GLU A 109 5.668 2.426 -3.671 1.00 0.00 C ATOM 1640 CD GLU A 109 6.639 2.194 -4.812 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.820 2.574 -4.672 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.217 1.633 -5.845 1.00 0.00 O ATOM 0 H GLU A 109 7.405 2.390 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 109 4.502 2.295 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.685 0.828 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.963 0.569 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.656 2.502 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.895 3.379 -3.194 1.00 0.00 H new ATOM 1649 N SER A 110 6.593 0.431 0.461 1.00 0.00 N ATOM 1650 CA SER A 110 6.676 -0.645 1.436 1.00 0.00 C ATOM 1651 C SER A 110 5.695 -0.398 2.553 1.00 0.00 C ATOM 1652 O SER A 110 4.854 -1.238 2.858 1.00 0.00 O ATOM 1653 CB SER A 110 8.078 -0.758 2.020 1.00 0.00 C ATOM 1654 OG SER A 110 8.615 -2.048 1.793 1.00 0.00 O ATOM 0 H SER A 110 7.437 0.998 0.376 1.00 0.00 H new ATOM 0 HA SER A 110 6.437 -1.578 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.726 -0.005 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.048 -0.555 3.090 1.00 0.00 H new ATOM 0 HG SER A 110 9.095 -2.057 0.938 1.00 0.00 H new ATOM 1660 N LEU A 111 5.791 0.785 3.130 1.00 0.00 N ATOM 1661 CA LEU A 111 4.928 1.173 4.221 1.00 0.00 C ATOM 1662 C LEU A 111 3.474 0.862 3.908 1.00 0.00 C ATOM 1663 O LEU A 111 2.710 0.502 4.793 1.00 0.00 O ATOM 1664 CB LEU A 111 5.082 2.662 4.503 1.00 0.00 C ATOM 1665 CG LEU A 111 4.333 3.153 5.735 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.068 4.314 6.377 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.912 3.542 5.363 1.00 0.00 C ATOM 0 H LEU A 111 6.467 1.498 2.855 1.00 0.00 H new ATOM 0 HA LEU A 111 5.221 0.601 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.141 2.888 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.733 3.221 3.635 1.00 0.00 H new ATOM 0 HG LEU A 111 4.285 2.344 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.518 4.652 7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.066 3.993 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.149 5.133 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.386 3.891 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.936 4.338 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.394 2.676 4.952 1.00 0.00 H new ATOM 1679 N ARG A 112 3.100 1.009 2.647 1.00 0.00 N ATOM 1680 CA ARG A 112 1.725 0.777 2.233 1.00 0.00 C ATOM 1681 C ARG A 112 1.482 -0.692 1.904 1.00 0.00 C ATOM 1682 O ARG A 112 0.530 -1.299 2.395 1.00 0.00 O ATOM 1683 CB ARG A 112 1.391 1.656 1.027 1.00 0.00 C ATOM 1684 CG ARG A 112 0.575 0.953 -0.040 1.00 0.00 C ATOM 1685 CD ARG A 112 0.204 1.899 -1.169 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.943 1.420 -1.933 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.870 0.465 -2.855 1.00 0.00 C ATOM 1688 NH1 ARG A 112 0.294 -0.112 -3.127 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -1.961 0.084 -3.507 1.00 0.00 N ATOM 0 H ARG A 112 3.728 1.288 1.893 1.00 0.00 H new ATOM 0 HA ARG A 112 1.070 1.041 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.843 2.533 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.320 2.014 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.143 0.113 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.331 0.542 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.021 2.883 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.058 2.020 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.853 1.842 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.135 0.177 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.347 -0.844 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.858 0.524 -3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.903 -0.649 -4.214 1.00 0.00 H new ATOM 1703 N SER A 113 2.330 -1.239 1.047 1.00 0.00 N ATOM 1704 CA SER A 113 2.199 -2.618 0.606 1.00 0.00 C ATOM 1705 C SER A 113 2.101 -3.578 1.784 1.00 0.00 C ATOM 1706 O SER A 113 1.241 -4.461 1.800 1.00 0.00 O ATOM 1707 CB SER A 113 3.387 -3.004 -0.276 1.00 0.00 C ATOM 1708 OG SER A 113 3.289 -2.403 -1.556 1.00 0.00 O ATOM 0 H SER A 113 3.123 -0.743 0.640 1.00 0.00 H new ATOM 0 HA SER A 113 1.276 -2.694 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.316 -2.695 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.428 -4.088 -0.382 1.00 0.00 H new ATOM 0 HG SER A 113 3.639 -1.489 -1.516 1.00 0.00 H new ATOM 1714 N LYS A 114 3.023 -3.457 2.733 1.00 0.00 N ATOM 1715 CA LYS A 114 3.027 -4.352 3.880 1.00 0.00 C ATOM 1716 C LYS A 114 2.015 -3.932 4.931 1.00 0.00 C ATOM 1717 O LYS A 114 1.566 -4.761 5.710 1.00 0.00 O ATOM 1718 CB LYS A 114 4.412 -4.455 4.489 1.00 0.00 C ATOM 1719 CG LYS A 114 4.951 -3.150 5.017 1.00 0.00 C ATOM 1720 CD LYS A 114 6.405 -2.976 4.631 1.00 0.00 C ATOM 1721 CE LYS A 114 7.046 -1.865 5.427 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.300 -1.590 6.687 1.00 0.00 N ATOM 0 H LYS A 114 3.766 -2.758 2.731 1.00 0.00 H new ATOM 0 HA LYS A 114 2.735 -5.337 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.387 -5.181 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.100 -4.842 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.363 -2.322 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.852 -3.122 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.944 -3.908 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.478 -2.755 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.075 -2.134 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.085 -0.959 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.943 -1.165 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.518 -0.933 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.917 -2.480 7.065 1.00 0.00 H new ATOM 1736 N VAL A 115 1.672 -2.646 4.973 1.00 0.00 N ATOM 1737 CA VAL A 115 0.662 -2.189 5.929 1.00 0.00 C ATOM 1738 C VAL A 115 -0.645 -2.925 5.650 1.00 0.00 C ATOM 1739 O VAL A 115 -1.209 -3.561 6.539 1.00 0.00 O ATOM 1740 CB VAL A 115 0.434 -0.653 5.901 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.044 -0.306 5.838 1.00 0.00 C ATOM 1742 CG2 VAL A 115 1.055 -0.001 7.125 1.00 0.00 C ATOM 0 H VAL A 115 2.065 -1.919 4.375 1.00 0.00 H new ATOM 0 HA VAL A 115 1.029 -2.417 6.930 1.00 0.00 H new ATOM 0 HB VAL A 115 0.915 -0.271 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.163 0.777 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.480 -0.734 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.551 -0.712 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.886 1.075 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.599 -0.410 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.127 -0.200 7.139 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.074 -2.900 4.389 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.279 -3.609 3.978 1.00 0.00 C ATOM 1754 C ASP A 116 -2.153 -5.098 4.288 1.00 0.00 C ATOM 1755 O ASP A 116 -3.133 -5.760 4.636 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.529 -3.393 2.482 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.821 -4.684 1.740 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.007 -5.066 1.656 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.863 -5.311 1.243 1.00 0.00 O ATOM 0 H ASP A 116 -0.604 -2.396 3.637 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.127 -3.213 4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.368 -2.709 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.656 -2.914 2.038 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.935 -5.617 4.167 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.672 -7.017 4.468 1.00 0.00 C ATOM 1766 C GLU A 117 -0.610 -7.215 5.974 1.00 0.00 C ATOM 1767 O GLU A 117 -0.913 -8.293 6.490 1.00 0.00 O ATOM 1768 CB GLU A 117 0.637 -7.470 3.820 1.00 0.00 C ATOM 1769 CG GLU A 117 0.547 -7.619 2.309 1.00 0.00 C ATOM 1770 CD GLU A 117 0.984 -8.990 1.831 1.00 0.00 C ATOM 1771 OE1 GLU A 117 0.567 -9.994 2.446 1.00 0.00 O ATOM 1772 OE2 GLU A 117 1.743 -9.059 0.842 1.00 0.00 O ATOM 0 H GLU A 117 -0.117 -5.089 3.863 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.482 -7.622 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.420 -6.751 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.937 -8.424 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.479 -7.437 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.167 -6.858 1.835 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.234 -6.152 6.677 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.188 -6.179 8.124 1.00 0.00 C ATOM 1781 C ALA A 118 -1.605 -6.184 8.662 1.00 0.00 C ATOM 1782 O ALA A 118 -1.872 -6.743 9.718 1.00 0.00 O ATOM 1783 CB ALA A 118 0.611 -5.004 8.674 1.00 0.00 C ATOM 0 H ALA A 118 0.043 -5.262 6.262 1.00 0.00 H new ATOM 0 HA ALA A 118 0.322 -7.085 8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.627 -5.053 9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.632 -5.048 8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.147 -4.069 8.359 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.522 -5.609 7.888 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.931 -5.619 8.242 1.00 0.00 C ATOM 1791 C VAL A 119 -4.410 -7.043 8.389 1.00 0.00 C ATOM 1792 O VAL A 119 -5.007 -7.413 9.397 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.787 -4.933 7.179 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.203 -4.746 7.695 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.165 -3.614 6.776 1.00 0.00 C ATOM 0 H VAL A 119 -2.310 -5.131 7.012 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.034 -5.076 9.181 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.832 -5.563 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.807 -4.256 6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.635 -5.718 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.184 -4.129 8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.785 -3.136 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.092 -2.964 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.168 -3.790 6.371 1.00 0.00 H new ATOM 1805 N ALA A 120 -4.130 -7.838 7.368 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.477 -9.243 7.383 1.00 0.00 C ATOM 1807 C ALA A 120 -3.916 -9.900 8.639 1.00 0.00 C ATOM 1808 O ALA A 120 -4.488 -10.849 9.175 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.934 -9.912 6.132 1.00 0.00 C ATOM 0 H ALA A 120 -3.661 -7.528 6.517 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.561 -9.355 7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.195 -10.970 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.367 -9.440 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.850 -9.806 6.104 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.813 -9.340 9.125 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.153 -9.828 10.326 1.00 0.00 C ATOM 1817 C VAL A 121 -2.776 -9.215 11.581 1.00 0.00 C ATOM 1818 O VAL A 121 -2.807 -9.841 12.642 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.645 -9.505 10.272 1.00 0.00 C ATOM 1820 CG1 VAL A 121 -0.020 -9.501 11.658 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.068 -10.490 9.361 1.00 0.00 C ATOM 0 H VAL A 121 -2.354 -8.536 8.697 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.286 -10.909 10.372 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.531 -8.501 9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.042 -9.270 11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.510 -8.748 12.276 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.144 -10.482 12.116 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.131 -10.253 9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.067 -11.502 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.348 -10.423 8.356 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.272 -7.989 11.450 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.912 -7.295 12.563 1.00 0.00 C ATOM 1833 C LEU A 122 -5.240 -7.961 12.894 1.00 0.00 C ATOM 1834 O LEU A 122 -5.584 -8.145 14.059 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.118 -5.815 12.218 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.560 -5.303 12.315 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.733 -4.421 13.541 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.943 -4.547 11.056 1.00 0.00 C ATOM 0 H LEU A 122 -3.243 -7.454 10.582 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.266 -7.354 13.439 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.494 -5.216 12.882 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.759 -5.644 11.203 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.223 -6.162 12.415 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.763 -4.067 13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.501 -4.995 14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.059 -3.567 13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.970 -4.191 11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.274 -3.696 10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.861 -5.210 10.194 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.977 -8.322 11.849 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.260 -8.990 12.007 1.00 0.00 C ATOM 1852 C GLN A 123 -7.052 -10.429 12.468 1.00 0.00 C ATOM 1853 O GLN A 123 -7.927 -11.027 13.093 1.00 0.00 O ATOM 1854 CB GLN A 123 -8.033 -8.962 10.685 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.475 -7.569 10.266 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.596 -7.025 11.130 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.445 -7.775 11.609 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.606 -5.711 11.330 1.00 0.00 N ATOM 0 H GLN A 123 -5.704 -8.161 10.879 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.841 -8.463 12.764 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.408 -9.387 9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.911 -9.601 10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.622 -6.892 10.316 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.802 -7.594 9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.882 -5.126 10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.338 -5.287 11.900 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.874 -10.967 12.165 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.523 -12.329 12.549 1.00 0.00 C ATOM 1869 C ALA A 124 -4.892 -12.365 13.935 1.00 0.00 C ATOM 1870 O ALA A 124 -4.632 -13.439 14.477 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.572 -12.927 11.527 1.00 0.00 C ATOM 0 H ALA A 124 -5.143 -10.476 11.651 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.438 -12.920 12.579 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.315 -13.945 11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.052 -12.943 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.666 -12.324 11.477 1.00 0.00 H new