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= -0.936 K(o=-1.1,f=-0.41) USER MOD Set 1.2: A 110 SER OG : rot 100:sc= -0.208 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.298 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= -1.43! USER MOD Set 2.3: A 57 MET CE :methyl 177:sc= -1.81 (180deg=-1.93) USER MOD Single : A 60 SER OG : rot 60:sc= 0.0509 USER MOD Single : A 66 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.044) USER MOD Single : A 69 MET CE :methyl 160:sc= -2.14 (180deg=-2.45!) USER MOD Single : A 79 GLN : amide:sc= -1 K(o=-1,f=-3.3!) USER MOD Single : A 81 MET CE :methyl 170:sc= -1.51 (180deg=-1.57) USER MOD Single : A 82 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -114:sc= 0.455 (180deg=-1.18) USER MOD Single : A 90 THR OG1 : rot -100:sc= -2.71! USER MOD Single : A 92 MET CE :methyl 149:sc= -1.35 (180deg=-3.57!) USER MOD Single : A 98 ASN : amide:sc= -0.573 K(o=-0.57,f=-3.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -169:sc= -7.55! (180deg=-8.58!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -155:sc= -0.0824 (180deg=-0.712) USER MOD Single : A 123 GLN : amide:sc= -0.475 K(o=-0.47,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.365 8.766 3.773 1.00 0.00 N ATOM 766 CA LEU A 53 1.686 8.814 4.390 1.00 0.00 C ATOM 767 C LEU A 53 2.513 7.599 3.986 1.00 0.00 C ATOM 768 O LEU A 53 1.969 6.527 3.722 1.00 0.00 O ATOM 769 CB LEU A 53 1.554 8.865 5.914 1.00 0.00 C ATOM 770 CG LEU A 53 2.488 9.849 6.621 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.688 10.952 7.295 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.353 9.123 7.640 1.00 0.00 C ATOM 0 HA LEU A 53 2.193 9.714 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.525 9.123 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.738 7.867 6.311 1.00 0.00 H new ATOM 0 HG LEU A 53 3.140 10.302 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.368 11.643 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.108 11.491 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.013 10.514 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.011 9.838 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.715 8.644 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.953 8.366 7.135 1.00 0.00 H new ATOM 784 N THR A 54 3.830 7.775 3.931 1.00 0.00 N ATOM 785 CA THR A 54 4.734 6.690 3.574 1.00 0.00 C ATOM 786 C THR A 54 6.176 7.084 3.860 1.00 0.00 C ATOM 787 O THR A 54 6.430 8.083 4.530 1.00 0.00 O ATOM 788 CB THR A 54 4.575 6.310 2.100 1.00 0.00 C ATOM 789 OG1 THR A 54 3.740 7.238 1.427 1.00 0.00 O ATOM 790 CG2 THR A 54 3.987 4.929 1.901 1.00 0.00 C ATOM 0 H THR A 54 4.294 8.661 4.130 1.00 0.00 H new ATOM 0 HA THR A 54 4.478 5.823 4.183 1.00 0.00 H new ATOM 0 HB THR A 54 5.584 6.321 1.687 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.653 6.977 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.900 4.721 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.637 4.187 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.000 4.884 2.361 1.00 0.00 H new ATOM 798 N ALA A 55 7.114 6.297 3.346 1.00 0.00 N ATOM 799 CA ALA A 55 8.532 6.546 3.573 1.00 0.00 C ATOM 800 C ALA A 55 8.922 7.977 3.214 1.00 0.00 C ATOM 801 O ALA A 55 9.667 8.624 3.949 1.00 0.00 O ATOM 802 CB ALA A 55 9.370 5.557 2.787 1.00 0.00 C ATOM 0 H ALA A 55 6.917 5.480 2.768 1.00 0.00 H new ATOM 0 HA ALA A 55 8.725 6.412 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.427 5.754 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.131 4.543 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.155 5.663 1.724 1.00 0.00 H new ATOM 808 N SER A 56 8.430 8.461 2.076 1.00 0.00 N ATOM 809 CA SER A 56 8.736 9.818 1.631 1.00 0.00 C ATOM 810 C SER A 56 8.311 10.839 2.680 1.00 0.00 C ATOM 811 O SER A 56 9.100 11.693 3.087 1.00 0.00 O ATOM 812 CB SER A 56 8.039 10.114 0.302 1.00 0.00 C ATOM 813 OG SER A 56 7.753 8.920 -0.404 1.00 0.00 O ATOM 0 H SER A 56 7.821 7.937 1.448 1.00 0.00 H new ATOM 0 HA SER A 56 9.814 9.893 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.114 10.660 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.673 10.758 -0.308 1.00 0.00 H new ATOM 0 HG SER A 56 7.306 9.138 -1.248 1.00 0.00 H new ATOM 819 N MET A 57 7.062 10.735 3.122 1.00 0.00 N ATOM 820 CA MET A 57 6.531 11.635 4.138 1.00 0.00 C ATOM 821 C MET A 57 7.372 11.555 5.404 1.00 0.00 C ATOM 822 O MET A 57 7.623 12.561 6.067 1.00 0.00 O ATOM 823 CB MET A 57 5.081 11.267 4.463 1.00 0.00 C ATOM 824 CG MET A 57 4.067 11.712 3.417 1.00 0.00 C ATOM 825 SD MET A 57 4.805 12.070 1.810 1.00 0.00 S ATOM 826 CE MET A 57 4.598 10.494 0.983 1.00 0.00 C ATOM 0 H MET A 57 6.398 10.035 2.791 1.00 0.00 H new ATOM 0 HA MET A 57 6.565 12.653 3.750 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.012 10.186 4.581 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.813 11.710 5.422 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.314 10.933 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.551 12.602 3.778 1.00 0.00 H new ATOM 0 HE1 MET A 57 4.958 10.571 -0.043 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.167 9.729 1.511 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.542 10.222 0.977 1.00 0.00 H new ATOM 836 N LEU A 58 7.803 10.342 5.726 1.00 0.00 N ATOM 837 CA LEU A 58 8.621 10.098 6.904 1.00 0.00 C ATOM 838 C LEU A 58 9.965 10.805 6.793 1.00 0.00 C ATOM 839 O LEU A 58 10.452 11.394 7.758 1.00 0.00 O ATOM 840 CB LEU A 58 8.842 8.596 7.069 1.00 0.00 C ATOM 841 CG LEU A 58 7.566 7.768 7.209 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.832 6.320 6.827 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.017 7.869 8.623 1.00 0.00 C ATOM 0 H LEU A 58 7.596 9.505 5.181 1.00 0.00 H new ATOM 0 HA LEU A 58 8.098 10.493 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.402 8.230 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.464 8.430 7.949 1.00 0.00 H new ATOM 0 HG LEU A 58 6.814 8.166 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.914 5.742 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.175 6.273 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.598 5.906 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.108 7.273 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.759 7.497 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.789 8.910 8.851 1.00 0.00 H new ATOM 855 N ALA A 59 10.563 10.729 5.610 1.00 0.00 N ATOM 856 CA ALA A 59 11.856 11.354 5.361 1.00 0.00 C ATOM 857 C ALA A 59 11.764 12.871 5.484 1.00 0.00 C ATOM 858 O ALA A 59 12.780 13.558 5.594 1.00 0.00 O ATOM 859 CB ALA A 59 12.375 10.964 3.984 1.00 0.00 C ATOM 0 H ALA A 59 10.171 10.239 4.806 1.00 0.00 H new ATOM 0 HA ALA A 59 12.557 10.996 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.341 11.438 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.487 9.881 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.668 11.293 3.222 1.00 0.00 H new ATOM 865 N SER A 60 10.539 13.386 5.465 1.00 0.00 N ATOM 866 CA SER A 60 10.311 14.822 5.580 1.00 0.00 C ATOM 867 C SER A 60 10.545 15.297 7.011 1.00 0.00 C ATOM 868 O SER A 60 10.535 16.496 7.287 1.00 0.00 O ATOM 869 CB SER A 60 8.887 15.171 5.144 1.00 0.00 C ATOM 870 OG SER A 60 8.674 14.839 3.783 1.00 0.00 O ATOM 0 H SER A 60 9.689 12.830 5.371 1.00 0.00 H new ATOM 0 HA SER A 60 11.020 15.330 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.171 14.636 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.708 16.236 5.294 1.00 0.00 H new ATOM 0 HG SER A 60 8.822 13.879 3.653 1.00 0.00 H new ATOM 876 N ALA A 61 10.763 14.347 7.916 1.00 0.00 N ATOM 877 CA ALA A 61 11.000 14.664 9.319 1.00 0.00 C ATOM 878 C ALA A 61 12.201 13.888 9.862 1.00 0.00 C ATOM 879 O ALA A 61 12.061 13.090 10.790 1.00 0.00 O ATOM 880 CB ALA A 61 9.754 14.362 10.139 1.00 0.00 C ATOM 0 H ALA A 61 10.780 13.350 7.701 1.00 0.00 H new ATOM 0 HA ALA A 61 11.226 15.727 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.940 14.602 11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.922 14.963 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.506 13.305 10.048 1.00 0.00 H new ATOM 946 N GLN A 66 10.894 10.926 12.314 1.00 0.00 N ATOM 947 CA GLN A 66 11.413 9.945 11.365 1.00 0.00 C ATOM 948 C GLN A 66 11.206 8.529 11.883 1.00 0.00 C ATOM 949 O GLN A 66 11.173 7.571 11.110 1.00 0.00 O ATOM 950 CB GLN A 66 12.898 10.182 11.108 1.00 0.00 C ATOM 951 CG GLN A 66 13.232 10.333 9.636 1.00 0.00 C ATOM 952 CD GLN A 66 14.647 9.892 9.310 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.172 8.955 9.911 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.272 10.569 8.353 1.00 0.00 N ATOM 0 HA GLN A 66 10.865 10.062 10.430 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.214 11.080 11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.469 9.350 11.520 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.528 9.747 9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.104 11.375 9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.799 11.339 7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.225 10.319 8.090 1.00 0.00 H new ATOM 963 N LYS A 67 11.081 8.406 13.197 1.00 0.00 N ATOM 964 CA LYS A 67 10.877 7.108 13.833 1.00 0.00 C ATOM 965 C LYS A 67 9.693 7.155 14.796 1.00 0.00 C ATOM 966 O LYS A 67 9.644 6.404 15.771 1.00 0.00 O ATOM 967 CB LYS A 67 12.141 6.673 14.579 1.00 0.00 C ATOM 968 CG LYS A 67 13.431 7.108 13.902 1.00 0.00 C ATOM 969 CD LYS A 67 14.038 8.321 14.586 1.00 0.00 C ATOM 970 CE LYS A 67 15.556 8.267 14.574 1.00 0.00 C ATOM 971 NZ LYS A 67 16.163 9.572 14.957 1.00 0.00 N ATOM 0 H LYS A 67 11.117 9.191 13.847 1.00 0.00 H new ATOM 0 HA LYS A 67 10.659 6.380 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.115 7.082 15.589 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.140 5.587 14.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.146 6.285 13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.233 7.340 12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.701 9.229 14.085 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.683 8.375 15.615 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.897 7.493 15.261 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.901 7.984 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.200 9.492 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.859 10.306 14.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.855 9.830 15.916 1.00 0.00 H new ATOM 985 N GLN A 68 8.731 8.029 14.507 1.00 0.00 N ATOM 986 CA GLN A 68 7.559 8.180 15.361 1.00 0.00 C ATOM 987 C GLN A 68 6.259 8.180 14.554 1.00 0.00 C ATOM 988 O GLN A 68 5.352 7.395 14.828 1.00 0.00 O ATOM 989 CB GLN A 68 7.669 9.478 16.162 1.00 0.00 C ATOM 990 CG GLN A 68 6.577 9.649 17.204 1.00 0.00 C ATOM 991 CD GLN A 68 7.127 9.743 18.614 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.648 9.068 19.525 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.139 10.582 18.799 1.00 0.00 N ATOM 0 H GLN A 68 8.741 8.640 13.691 1.00 0.00 H new ATOM 0 HA GLN A 68 7.529 7.325 16.037 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.639 9.507 16.658 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.637 10.323 15.474 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.004 10.549 16.981 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.886 8.808 17.143 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.504 11.122 18.014 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.552 10.687 19.726 1.00 0.00 H new ATOM 1002 N MET A 69 6.170 9.074 13.570 1.00 0.00 N ATOM 1003 CA MET A 69 4.958 9.213 12.759 1.00 0.00 C ATOM 1004 C MET A 69 4.809 8.084 11.738 1.00 0.00 C ATOM 1005 O MET A 69 4.056 8.208 10.772 1.00 0.00 O ATOM 1006 CB MET A 69 4.967 10.564 12.040 1.00 0.00 C ATOM 1007 CG MET A 69 5.948 10.636 10.882 1.00 0.00 C ATOM 1008 SD MET A 69 5.263 11.478 9.444 1.00 0.00 S ATOM 1009 CE MET A 69 6.644 12.514 8.969 1.00 0.00 C ATOM 0 H MET A 69 6.922 9.714 13.314 1.00 0.00 H new ATOM 0 HA MET A 69 4.105 9.155 13.435 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.964 10.774 11.668 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.210 11.346 12.759 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.850 11.155 11.207 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.245 9.626 10.599 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.528 12.820 7.929 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.672 13.398 9.607 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.573 11.956 9.082 1.00 0.00 H new ATOM 1019 N LEU A 70 5.526 6.989 11.953 1.00 0.00 N ATOM 1020 CA LEU A 70 5.464 5.839 11.054 1.00 0.00 C ATOM 1021 C LEU A 70 4.369 4.884 11.490 1.00 0.00 C ATOM 1022 O LEU A 70 3.749 4.208 10.671 1.00 0.00 O ATOM 1023 CB LEU A 70 6.807 5.104 11.028 1.00 0.00 C ATOM 1024 CG LEU A 70 7.812 5.573 12.077 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.948 4.574 12.224 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.335 6.949 11.709 1.00 0.00 C ATOM 0 H LEU A 70 6.160 6.871 12.744 1.00 0.00 H new ATOM 0 HA LEU A 70 5.240 6.204 10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.625 4.039 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.252 5.223 10.040 1.00 0.00 H new ATOM 0 HG LEU A 70 7.310 5.640 13.042 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.651 4.931 12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.546 3.608 12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.463 4.466 11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.052 7.279 12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.825 6.904 10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.505 7.654 11.665 1.00 0.00 H new ATOM 1038 N GLY A 71 4.152 4.820 12.795 1.00 0.00 N ATOM 1039 CA GLY A 71 3.131 3.952 13.328 1.00 0.00 C ATOM 1040 C GLY A 71 2.280 4.648 14.367 1.00 0.00 C ATOM 1041 O GLY A 71 1.495 4.007 15.066 1.00 0.00 O ATOM 0 H GLY A 71 4.667 5.356 13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.495 3.599 12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.598 3.073 13.772 1.00 0.00 H new ATOM 1045 N GLU A 72 2.422 5.969 14.461 1.00 0.00 N ATOM 1046 CA GLU A 72 1.665 6.740 15.441 1.00 0.00 C ATOM 1047 C GLU A 72 0.955 7.933 14.805 1.00 0.00 C ATOM 1048 O GLU A 72 0.143 8.596 15.451 1.00 0.00 O ATOM 1049 CB GLU A 72 2.594 7.206 16.568 1.00 0.00 C ATOM 1050 CG GLU A 72 3.084 8.641 16.424 1.00 0.00 C ATOM 1051 CD GLU A 72 2.511 9.563 17.482 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.358 9.337 17.907 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.215 10.513 17.886 1.00 0.00 O ATOM 0 H GLU A 72 3.048 6.522 13.876 1.00 0.00 H new ATOM 0 HA GLU A 72 0.894 6.090 15.854 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.070 7.107 17.519 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.457 6.542 16.609 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.172 8.657 16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.814 9.016 15.437 1.00 0.00 H new ATOM 1060 N ARG A 73 1.256 8.200 13.540 1.00 0.00 N ATOM 1061 CA ARG A 73 0.635 9.314 12.833 1.00 0.00 C ATOM 1062 C ARG A 73 0.021 8.851 11.519 1.00 0.00 C ATOM 1063 O ARG A 73 -0.777 9.564 10.911 1.00 0.00 O ATOM 1064 CB ARG A 73 1.658 10.419 12.569 1.00 0.00 C ATOM 1065 CG ARG A 73 1.056 11.815 12.552 1.00 0.00 C ATOM 1066 CD ARG A 73 0.785 12.286 11.134 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.027 13.501 11.106 1.00 0.00 N ATOM 1068 CZ ARG A 73 0.217 14.533 10.306 1.00 0.00 C ATOM 1069 NH1 ARG A 73 1.248 14.503 9.470 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.570 15.601 10.340 1.00 0.00 N ATOM 0 H ARG A 73 1.923 7.664 12.985 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.159 9.710 13.466 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.433 10.376 13.335 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.145 10.231 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.127 11.819 13.122 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.735 12.511 13.045 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.732 12.471 10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.276 11.497 10.581 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.827 13.560 11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.857 13.685 9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.431 15.298 8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.363 15.630 10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.382 16.393 9.725 1.00 0.00 H new ATOM 1084 N LEU A 74 0.384 7.646 11.092 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.136 7.092 9.853 1.00 0.00 C ATOM 1086 C LEU A 74 -1.555 6.575 10.027 1.00 0.00 C ATOM 1087 O LEU A 74 -2.218 6.234 9.050 1.00 0.00 O ATOM 1088 CB LEU A 74 0.752 5.955 9.369 1.00 0.00 C ATOM 1089 CG LEU A 74 1.562 6.273 8.130 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.954 5.687 8.255 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.852 5.755 6.890 1.00 0.00 C ATOM 0 H LEU A 74 1.036 7.037 11.587 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.145 7.895 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.435 5.677 10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.128 5.085 9.166 1.00 0.00 H new ATOM 0 HG LEU A 74 1.658 7.354 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.529 5.921 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.451 6.113 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.884 4.605 8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.445 5.990 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.728 4.675 6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.127 6.228 6.807 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.003 6.493 11.274 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.336 5.976 11.570 1.00 0.00 C ATOM 1105 C PHE A 75 -4.408 6.636 10.692 1.00 0.00 C ATOM 1106 O PHE A 75 -5.157 5.940 10.007 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.674 6.156 13.054 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.095 5.805 13.391 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.691 4.670 12.859 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.840 6.615 14.235 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -7.003 4.356 13.158 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.150 6.299 14.544 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.731 5.167 14.006 1.00 0.00 C ATOM 0 H PHE A 75 -1.467 6.776 12.094 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.329 4.910 11.341 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.004 5.536 13.649 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.486 7.191 13.338 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.123 4.025 12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.392 7.503 14.656 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.459 3.476 12.728 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.718 6.936 15.205 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.753 4.917 14.248 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.508 7.983 10.693 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.510 8.692 9.885 1.00 0.00 C ATOM 1125 C PRO A 76 -5.315 8.457 8.391 1.00 0.00 C ATOM 1126 O PRO A 76 -6.162 8.830 7.579 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.282 10.170 10.229 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.517 10.160 11.507 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.676 8.919 11.468 1.00 0.00 C ATOM 0 HA PRO A 76 -6.521 8.347 10.102 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.725 10.676 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.229 10.699 10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.896 11.051 11.598 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.189 10.151 12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.714 9.098 10.988 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.467 8.541 12.469 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.192 7.841 8.035 1.00 0.00 N ATOM 1138 CA LEU A 77 -3.878 7.568 6.637 1.00 0.00 C ATOM 1139 C LEU A 77 -4.220 6.129 6.255 1.00 0.00 C ATOM 1140 O LEU A 77 -4.505 5.844 5.092 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.395 7.838 6.360 1.00 0.00 C ATOM 1142 CG LEU A 77 -1.976 9.310 6.382 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.010 10.189 5.689 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.755 9.763 7.812 1.00 0.00 C ATOM 0 H LEU A 77 -3.484 7.521 8.696 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.488 8.236 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.802 7.299 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.144 7.422 5.384 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.040 9.410 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.684 11.229 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.118 9.874 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.969 10.094 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.457 10.811 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.679 9.644 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.970 9.159 8.268 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.173 5.220 7.227 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.468 3.816 6.957 1.00 0.00 C ATOM 1158 C ILE A 78 -5.947 3.609 6.670 1.00 0.00 C ATOM 1159 O ILE A 78 -6.313 2.843 5.782 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.055 2.893 8.113 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.708 3.323 8.696 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.991 1.454 7.629 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.550 3.173 7.733 1.00 0.00 C ATOM 0 H ILE A 78 -3.936 5.428 8.197 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.879 3.552 6.078 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.803 2.967 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.775 4.365 9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.504 2.733 9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.697 0.805 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.971 1.150 7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.259 1.373 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.629 3.498 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.456 2.128 7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.730 3.785 6.849 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.796 4.300 7.427 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.238 4.221 7.225 1.00 0.00 C ATOM 1177 C GLN A 79 -8.579 4.503 5.766 1.00 0.00 C ATOM 1178 O GLN A 79 -9.659 4.164 5.284 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.945 5.235 8.123 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.411 4.659 9.450 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.555 5.716 10.527 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.540 5.740 11.263 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -8.567 6.600 10.625 1.00 0.00 N ATOM 0 H GLN A 79 -6.509 4.920 8.185 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.575 3.217 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.269 6.068 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.806 5.640 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.368 4.158 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.701 3.902 9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.768 6.544 9.994 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.608 7.335 11.331 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.638 5.136 5.079 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.790 5.469 3.669 1.00 0.00 C ATOM 1194 C ALA A 80 -7.494 4.260 2.788 1.00 0.00 C ATOM 1195 O ALA A 80 -8.150 4.050 1.767 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.870 6.621 3.301 1.00 0.00 C ATOM 0 H ALA A 80 -6.749 5.433 5.482 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.824 5.770 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.992 6.861 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.121 7.494 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.835 6.335 3.491 1.00 0.00 H new ATOM 1202 N MET A 81 -6.485 3.482 3.174 1.00 0.00 N ATOM 1203 CA MET A 81 -6.114 2.289 2.420 1.00 0.00 C ATOM 1204 C MET A 81 -7.146 1.192 2.633 1.00 0.00 C ATOM 1205 O MET A 81 -7.631 0.578 1.682 1.00 0.00 O ATOM 1206 CB MET A 81 -4.732 1.777 2.842 1.00 0.00 C ATOM 1207 CG MET A 81 -3.755 2.871 3.244 1.00 0.00 C ATOM 1208 SD MET A 81 -2.695 2.379 4.614 1.00 0.00 S ATOM 1209 CE MET A 81 -1.136 2.140 3.770 1.00 0.00 C ATOM 0 H MET A 81 -5.913 3.656 4.000 1.00 0.00 H new ATOM 0 HA MET A 81 -6.079 2.558 1.364 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.852 1.088 3.678 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.302 1.207 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.136 3.134 2.386 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.311 3.766 3.522 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.341 2.007 4.504 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.197 1.255 3.137 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.918 3.012 3.154 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.476 0.961 3.895 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.450 -0.051 4.269 1.00 0.00 C ATOM 1221 C HIS A 82 -9.706 0.601 4.832 1.00 0.00 C ATOM 1222 O HIS A 82 -9.622 1.639 5.481 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.841 -0.987 5.311 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.083 -2.133 4.718 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.294 -3.424 5.132 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.127 -2.125 3.756 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.476 -4.172 4.411 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.743 -3.427 3.574 1.00 0.00 N ATOM 0 H HIS A 82 -7.077 1.468 4.685 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.723 -0.622 3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.173 -0.415 5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.637 -1.378 5.945 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.743 -1.260 3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.408 -5.247 4.487 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.033 -3.765 2.924 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.890 0.004 4.592 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.162 0.541 5.094 1.00 0.00 C ATOM 1238 C PRO A 83 -12.160 0.691 6.613 1.00 0.00 C ATOM 1239 O PRO A 83 -12.722 -0.139 7.330 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.195 -0.505 4.660 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.556 -1.231 3.528 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.082 -1.239 3.824 1.00 0.00 C ATOM 0 HA PRO A 83 -12.365 1.539 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.437 -1.184 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.128 -0.034 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.944 -2.246 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.761 -0.734 2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.791 -2.118 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.487 -1.245 2.911 1.00 0.00 H new ATOM 1250 N THR A 84 -11.513 1.751 7.092 1.00 0.00 N ATOM 1251 CA THR A 84 -11.411 2.017 8.522 1.00 0.00 C ATOM 1252 C THR A 84 -10.979 0.765 9.284 1.00 0.00 C ATOM 1253 O THR A 84 -11.445 0.511 10.396 1.00 0.00 O ATOM 1254 CB THR A 84 -12.750 2.523 9.063 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.461 3.227 8.059 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.607 3.443 10.256 1.00 0.00 C ATOM 0 H THR A 84 -11.049 2.444 6.504 1.00 0.00 H new ATOM 0 HA THR A 84 -10.652 2.786 8.669 1.00 0.00 H new ATOM 0 HB THR A 84 -13.290 1.630 9.379 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.315 3.541 8.422 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.594 3.764 10.588 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.106 2.913 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.017 4.315 9.974 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.090 -0.016 8.678 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.606 -1.248 9.292 1.00 0.00 C ATOM 1266 C LEU A 85 -8.330 -1.003 10.094 1.00 0.00 C ATOM 1267 O LEU A 85 -7.723 -1.940 10.611 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.351 -2.309 8.221 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.490 -3.310 8.019 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.751 -3.528 6.536 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.169 -4.628 8.705 1.00 0.00 C ATOM 0 H LEU A 85 -9.690 0.183 7.761 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.376 -1.605 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.156 -1.807 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.447 -2.858 8.483 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.394 -2.900 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.564 -4.243 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.026 -2.581 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.850 -3.917 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.990 -5.328 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.254 -5.044 8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.032 -4.458 9.773 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.933 0.262 10.193 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.735 0.635 10.938 1.00 0.00 C ATOM 1285 C ALA A 86 -6.945 0.447 12.440 1.00 0.00 C ATOM 1286 O ALA A 86 -7.529 -0.548 12.872 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.354 2.072 10.617 1.00 0.00 C ATOM 0 H ALA A 86 -8.424 1.047 9.766 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.917 -0.019 10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.459 2.345 11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.157 2.166 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.172 2.736 10.895 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.464 1.399 13.235 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.598 1.298 14.676 1.00 0.00 C ATOM 1295 C GLY A 87 -5.528 0.415 15.279 1.00 0.00 C ATOM 1296 O GLY A 87 -5.364 0.360 16.497 1.00 0.00 O ATOM 0 H GLY A 87 -5.985 2.237 12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.539 2.293 15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.581 0.897 14.922 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.795 -0.276 14.412 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.730 -1.168 14.847 1.00 0.00 C ATOM 1302 C LYS A 88 -2.741 -1.453 13.718 1.00 0.00 C ATOM 1303 O LYS A 88 -1.594 -1.804 13.976 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.320 -2.484 15.365 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.282 -3.568 15.618 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.460 -3.275 16.864 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.969 -3.310 16.570 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.161 -3.494 17.807 1.00 0.00 N ATOM 0 H LYS A 88 -4.921 -0.234 13.401 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.190 -0.670 15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.860 -2.289 16.291 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.048 -2.853 14.643 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.780 -4.531 15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.621 -3.648 14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.731 -2.295 17.258 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.697 -4.006 17.637 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.756 -4.121 15.874 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.674 -2.382 16.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.403 -2.638 17.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.795 -3.663 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.474 -4.309 17.689 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.185 -1.309 12.466 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.334 -1.591 11.320 1.00 0.00 C ATOM 1324 C ILE A 89 -0.975 -0.899 11.435 1.00 0.00 C ATOM 1325 O ILE A 89 0.008 -1.519 11.827 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.010 -1.181 10.002 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.351 -1.905 9.854 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.095 -1.501 8.832 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.233 -1.347 8.759 1.00 0.00 C ATOM 0 H ILE A 89 -4.127 -0.999 12.227 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.173 -2.669 11.314 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.198 -0.107 10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.163 -2.960 9.653 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.888 -1.852 10.801 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.579 -1.208 7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.159 -0.953 8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.889 -2.571 8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.164 -1.913 8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.454 -0.300 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.718 -1.425 7.802 1.00 0.00 H new ATOM 1341 N THR A 90 -0.924 0.381 11.072 1.00 0.00 N ATOM 1342 CA THR A 90 0.320 1.149 11.140 1.00 0.00 C ATOM 1343 C THR A 90 0.899 1.112 12.550 1.00 0.00 C ATOM 1344 O THR A 90 2.114 1.030 12.727 1.00 0.00 O ATOM 1345 CB THR A 90 0.057 2.588 10.687 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.825 2.892 9.536 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.357 3.643 11.728 1.00 0.00 C ATOM 0 H THR A 90 -1.727 0.908 10.728 1.00 0.00 H new ATOM 0 HA THR A 90 1.056 0.701 10.472 1.00 0.00 H new ATOM 0 HB THR A 90 -1.014 2.620 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.619 3.403 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.141 4.630 11.319 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.263 3.472 12.608 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.409 3.589 12.008 1.00 0.00 H new ATOM 1355 N GLY A 91 0.025 1.159 13.553 1.00 0.00 N ATOM 1356 CA GLY A 91 0.483 1.066 14.924 1.00 0.00 C ATOM 1357 C GLY A 91 1.254 -0.217 15.143 1.00 0.00 C ATOM 1358 O GLY A 91 2.163 -0.282 15.972 1.00 0.00 O ATOM 0 H GLY A 91 -0.984 1.259 13.440 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.116 1.921 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.370 1.104 15.601 1.00 0.00 H new ATOM 1362 N MET A 92 0.903 -1.229 14.358 1.00 0.00 N ATOM 1363 CA MET A 92 1.588 -2.514 14.400 1.00 0.00 C ATOM 1364 C MET A 92 2.912 -2.410 13.678 1.00 0.00 C ATOM 1365 O MET A 92 3.893 -3.050 14.047 1.00 0.00 O ATOM 1366 CB MET A 92 0.745 -3.598 13.727 1.00 0.00 C ATOM 1367 CG MET A 92 0.935 -4.974 14.338 1.00 0.00 C ATOM 1368 SD MET A 92 -0.535 -6.007 14.207 1.00 0.00 S ATOM 1369 CE MET A 92 -0.867 -5.886 12.453 1.00 0.00 C ATOM 0 H MET A 92 0.142 -1.183 13.680 1.00 0.00 H new ATOM 0 HA MET A 92 1.749 -2.781 15.444 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.307 -3.322 13.792 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.999 -3.640 12.668 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.769 -5.473 13.845 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.205 -4.866 15.389 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.330 -6.810 12.106 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.541 -5.050 12.267 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.068 -5.724 11.916 1.00 0.00 H new ATOM 1379 N LEU A 93 2.915 -1.592 12.637 1.00 0.00 N ATOM 1380 CA LEU A 93 4.086 -1.394 11.804 1.00 0.00 C ATOM 1381 C LEU A 93 5.263 -0.848 12.602 1.00 0.00 C ATOM 1382 O LEU A 93 6.368 -0.705 12.079 1.00 0.00 O ATOM 1383 CB LEU A 93 3.733 -0.458 10.663 1.00 0.00 C ATOM 1384 CG LEU A 93 3.172 -1.146 9.414 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.228 -2.041 8.784 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.926 -1.951 9.760 1.00 0.00 C ATOM 0 H LEU A 93 2.103 -1.047 12.347 1.00 0.00 H new ATOM 0 HA LEU A 93 4.394 -2.361 11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.002 0.267 11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.625 0.101 10.382 1.00 0.00 H new ATOM 0 HG LEU A 93 2.893 -0.378 8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.815 -2.523 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.092 -1.440 8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.535 -2.802 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.542 -2.432 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.178 -2.712 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.165 -1.286 10.169 1.00 0.00 H new ATOM 1398 N LEU A 94 5.023 -0.553 13.872 1.00 0.00 N ATOM 1399 CA LEU A 94 6.079 -0.098 14.758 1.00 0.00 C ATOM 1400 C LEU A 94 6.376 -1.189 15.777 1.00 0.00 C ATOM 1401 O LEU A 94 6.829 -0.919 16.891 1.00 0.00 O ATOM 1402 CB LEU A 94 5.671 1.199 15.456 1.00 0.00 C ATOM 1403 CG LEU A 94 6.333 2.467 14.905 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.136 2.564 13.398 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.778 3.701 15.599 1.00 0.00 C ATOM 0 H LEU A 94 4.104 -0.622 14.310 1.00 0.00 H new ATOM 0 HA LEU A 94 6.979 0.106 14.177 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.589 1.310 15.381 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.910 1.114 16.516 1.00 0.00 H new ATOM 0 HG LEU A 94 7.403 2.412 15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.613 3.471 13.026 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.583 1.695 12.916 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.070 2.596 13.172 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.259 4.592 15.196 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.703 3.761 15.430 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.974 3.636 16.669 1.00 0.00 H new ATOM 1417 N GLU A 95 6.085 -2.426 15.381 1.00 0.00 N ATOM 1418 CA GLU A 95 6.286 -3.584 16.242 1.00 0.00 C ATOM 1419 C GLU A 95 6.156 -4.890 15.458 1.00 0.00 C ATOM 1420 O GLU A 95 6.293 -5.975 16.024 1.00 0.00 O ATOM 1421 CB GLU A 95 5.274 -3.570 17.392 1.00 0.00 C ATOM 1422 CG GLU A 95 3.868 -3.975 16.974 1.00 0.00 C ATOM 1423 CD GLU A 95 2.974 -4.288 18.157 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.049 -3.558 19.167 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.198 -5.263 18.072 1.00 0.00 O ATOM 0 H GLU A 95 5.706 -2.651 14.461 1.00 0.00 H new ATOM 0 HA GLU A 95 7.297 -3.526 16.646 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.619 -4.244 18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.241 -2.570 17.823 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.421 -3.171 16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.924 -4.849 16.325 1.00 0.00 H new ATOM 1432 N ILE A 96 5.919 -4.784 14.149 1.00 0.00 N ATOM 1433 CA ILE A 96 5.766 -5.971 13.301 1.00 0.00 C ATOM 1434 C ILE A 96 7.042 -6.807 13.254 1.00 0.00 C ATOM 1435 O ILE A 96 7.870 -6.768 14.166 1.00 0.00 O ATOM 1436 CB ILE A 96 5.405 -5.615 11.838 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.539 -4.831 11.167 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.094 -4.855 11.752 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.880 -3.528 11.842 1.00 0.00 C ATOM 0 H ILE A 96 5.829 -3.896 13.655 1.00 0.00 H new ATOM 0 HA ILE A 96 4.953 -6.536 13.758 1.00 0.00 H new ATOM 0 HB ILE A 96 5.274 -6.553 11.298 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.431 -5.457 11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.262 -4.628 10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.875 -4.623 10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.291 -5.467 12.164 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.173 -3.928 12.321 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.691 -3.040 11.302 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.004 -2.879 11.844 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.192 -3.721 12.869 1.00 0.00 H new ATOM 1451 N ASP A 97 7.199 -7.541 12.153 1.00 0.00 N ATOM 1452 CA ASP A 97 8.369 -8.370 11.918 1.00 0.00 C ATOM 1453 C ASP A 97 9.647 -7.535 11.906 1.00 0.00 C ATOM 1454 O ASP A 97 10.743 -8.072 11.741 1.00 0.00 O ATOM 1455 CB ASP A 97 8.210 -9.089 10.578 1.00 0.00 C ATOM 1456 CG ASP A 97 8.957 -10.408 10.531 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.286 -10.944 11.610 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.213 -10.906 9.415 1.00 0.00 O ATOM 0 H ASP A 97 6.513 -7.574 11.399 1.00 0.00 H new ATOM 0 HA ASP A 97 8.450 -9.095 12.728 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.151 -9.268 10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.571 -8.443 9.778 1.00 0.00 H new ATOM 1463 N ASN A 98 9.485 -6.217 12.052 1.00 0.00 N ATOM 1464 CA ASN A 98 10.601 -5.271 12.052 1.00 0.00 C ATOM 1465 C ASN A 98 11.068 -4.973 10.636 1.00 0.00 C ATOM 1466 O ASN A 98 11.453 -3.847 10.321 1.00 0.00 O ATOM 1467 CB ASN A 98 11.768 -5.781 12.906 1.00 0.00 C ATOM 1468 CG ASN A 98 13.022 -6.059 12.096 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.721 -5.136 11.677 1.00 0.00 O ATOM 1470 ND2 ASN A 98 13.321 -7.335 11.884 1.00 0.00 N ATOM 0 H ASN A 98 8.573 -5.776 12.174 1.00 0.00 H new ATOM 0 HA ASN A 98 10.239 -4.343 12.495 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.996 -5.044 13.676 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.464 -6.694 13.418 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.158 -7.582 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.714 -8.069 12.249 1.00 0.00 H new ATOM 1477 N SER A 99 11.035 -5.988 9.790 1.00 0.00 N ATOM 1478 CA SER A 99 11.432 -5.825 8.398 1.00 0.00 C ATOM 1479 C SER A 99 10.464 -4.887 7.691 1.00 0.00 C ATOM 1480 O SER A 99 10.826 -4.203 6.735 1.00 0.00 O ATOM 1481 CB SER A 99 11.479 -7.172 7.681 1.00 0.00 C ATOM 1482 OG SER A 99 12.069 -8.167 8.500 1.00 0.00 O ATOM 0 H SER A 99 10.739 -6.932 10.039 1.00 0.00 H new ATOM 0 HA SER A 99 12.433 -5.394 8.374 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.469 -7.476 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.047 -7.075 6.756 1.00 0.00 H new ATOM 0 HG SER A 99 12.085 -9.020 8.018 1.00 0.00 H new ATOM 1488 N GLU A 100 9.233 -4.853 8.187 1.00 0.00 N ATOM 1489 CA GLU A 100 8.213 -3.962 7.650 1.00 0.00 C ATOM 1490 C GLU A 100 8.369 -2.580 8.264 1.00 0.00 C ATOM 1491 O GLU A 100 8.007 -1.576 7.656 1.00 0.00 O ATOM 1492 CB GLU A 100 6.820 -4.522 7.920 1.00 0.00 C ATOM 1493 CG GLU A 100 6.785 -6.039 7.993 1.00 0.00 C ATOM 1494 CD GLU A 100 5.553 -6.629 7.335 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.466 -6.028 7.462 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.676 -7.694 6.693 1.00 0.00 O ATOM 0 H GLU A 100 8.917 -5.435 8.963 1.00 0.00 H new ATOM 0 HA GLU A 100 8.339 -3.883 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.447 -4.112 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.143 -4.187 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.677 -6.442 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.818 -6.349 9.037 1.00 0.00 H new ATOM 1503 N LEU A 101 8.950 -2.540 9.459 1.00 0.00 N ATOM 1504 CA LEU A 101 9.231 -1.281 10.130 1.00 0.00 C ATOM 1505 C LEU A 101 10.431 -0.607 9.476 1.00 0.00 C ATOM 1506 O LEU A 101 10.580 0.613 9.522 1.00 0.00 O ATOM 1507 CB LEU A 101 9.504 -1.516 11.620 1.00 0.00 C ATOM 1508 CG LEU A 101 10.271 -0.397 12.332 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.308 0.647 12.876 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.130 -0.970 13.449 1.00 0.00 C ATOM 0 H LEU A 101 9.235 -3.368 9.981 1.00 0.00 H new ATOM 0 HA LEU A 101 8.361 -0.631 10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.551 -1.660 12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.066 -2.444 11.727 1.00 0.00 H new ATOM 0 HG LEU A 101 10.927 0.088 11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.870 1.434 13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.736 1.078 12.054 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.626 0.178 13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.668 -0.162 13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.494 -1.480 14.172 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.844 -1.679 13.031 1.00 0.00 H new ATOM 1522 N LEU A 102 11.276 -1.424 8.859 1.00 0.00 N ATOM 1523 CA LEU A 102 12.476 -0.931 8.194 1.00 0.00 C ATOM 1524 C LEU A 102 12.199 -0.584 6.738 1.00 0.00 C ATOM 1525 O LEU A 102 12.600 0.475 6.254 1.00 0.00 O ATOM 1526 CB LEU A 102 13.582 -1.986 8.259 1.00 0.00 C ATOM 1527 CG LEU A 102 14.598 -1.793 9.388 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.927 -1.949 10.745 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.748 -2.779 9.244 1.00 0.00 C ATOM 0 H LEU A 102 11.152 -2.435 8.805 1.00 0.00 H new ATOM 0 HA LEU A 102 12.795 -0.026 8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.121 -2.967 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.115 -1.990 7.308 1.00 0.00 H new ATOM 0 HG LEU A 102 15.000 -0.782 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.665 -1.808 11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.138 -1.204 10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.496 -2.947 10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.461 -2.628 10.055 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.362 -3.797 9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.247 -2.619 8.288 1.00 0.00 H new ATOM 1541 N HIS A 103 11.540 -1.498 6.035 1.00 0.00 N ATOM 1542 CA HIS A 103 11.244 -1.311 4.626 1.00 0.00 C ATOM 1543 C HIS A 103 10.286 -0.145 4.408 1.00 0.00 C ATOM 1544 O HIS A 103 10.411 0.593 3.430 1.00 0.00 O ATOM 1545 CB HIS A 103 10.648 -2.598 4.055 1.00 0.00 C ATOM 1546 CG HIS A 103 11.280 -3.042 2.771 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.357 -4.372 2.434 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.843 -2.301 1.784 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.961 -4.414 1.260 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.273 -3.184 0.828 1.00 0.00 N ATOM 0 H HIS A 103 11.201 -2.378 6.423 1.00 0.00 H new ATOM 0 HA HIS A 103 12.174 -1.076 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.751 -3.393 4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.580 -2.451 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.935 -1.225 1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.176 -5.323 0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.742 -2.949 -0.047 1.00 0.00 H new ATOM 1558 N MET A 104 9.330 0.017 5.317 1.00 0.00 N ATOM 1559 CA MET A 104 8.357 1.099 5.216 1.00 0.00 C ATOM 1560 C MET A 104 9.045 2.458 5.233 1.00 0.00 C ATOM 1561 O MET A 104 8.616 3.389 4.555 1.00 0.00 O ATOM 1562 CB MET A 104 7.364 1.026 6.372 1.00 0.00 C ATOM 1563 CG MET A 104 7.987 1.398 7.700 1.00 0.00 C ATOM 1564 SD MET A 104 6.973 0.926 9.113 1.00 0.00 S ATOM 1565 CE MET A 104 5.341 1.337 8.506 1.00 0.00 C ATOM 0 H MET A 104 9.208 -0.586 6.131 1.00 0.00 H new ATOM 0 HA MET A 104 7.829 0.983 4.270 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.526 1.693 6.169 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.959 0.016 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.962 0.919 7.784 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.157 2.474 7.726 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.625 1.288 9.326 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.350 2.345 8.091 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.052 0.628 7.730 1.00 0.00 H new ATOM 1575 N LEU A 105 10.089 2.576 6.049 1.00 0.00 N ATOM 1576 CA LEU A 105 10.818 3.829 6.183 1.00 0.00 C ATOM 1577 C LEU A 105 11.820 3.997 5.056 1.00 0.00 C ATOM 1578 O LEU A 105 12.392 5.072 4.878 1.00 0.00 O ATOM 1579 CB LEU A 105 11.552 3.875 7.524 1.00 0.00 C ATOM 1580 CG LEU A 105 10.695 3.549 8.746 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.552 3.497 10.001 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.583 4.572 8.898 1.00 0.00 C ATOM 0 H LEU A 105 10.448 1.816 6.627 1.00 0.00 H new ATOM 0 HA LEU A 105 10.095 4.643 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.386 3.174 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.977 4.870 7.653 1.00 0.00 H new ATOM 0 HG LEU A 105 10.243 2.567 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.924 3.264 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.315 2.727 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.032 4.464 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.980 4.327 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.016 5.565 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.953 4.560 8.008 1.00 0.00 H new ATOM 1594 N GLU A 106 12.040 2.927 4.304 1.00 0.00 N ATOM 1595 CA GLU A 106 13.010 2.961 3.224 1.00 0.00 C ATOM 1596 C GLU A 106 12.337 2.921 1.854 1.00 0.00 C ATOM 1597 O GLU A 106 12.995 3.113 0.831 1.00 0.00 O ATOM 1598 CB GLU A 106 13.998 1.795 3.372 1.00 0.00 C ATOM 1599 CG GLU A 106 13.702 0.606 2.471 1.00 0.00 C ATOM 1600 CD GLU A 106 14.625 -0.568 2.730 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.040 -0.752 3.894 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.933 -1.304 1.770 1.00 0.00 O ATOM 0 H GLU A 106 11.563 2.033 4.422 1.00 0.00 H new ATOM 0 HA GLU A 106 13.552 3.904 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.004 2.157 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.994 1.460 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.669 0.291 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.795 0.913 1.429 1.00 0.00 H new ATOM 1609 N SER A 107 11.031 2.676 1.833 1.00 0.00 N ATOM 1610 CA SER A 107 10.304 2.608 0.567 1.00 0.00 C ATOM 1611 C SER A 107 8.924 3.258 0.673 1.00 0.00 C ATOM 1612 O SER A 107 8.130 2.907 1.544 1.00 0.00 O ATOM 1613 CB SER A 107 10.160 1.154 0.117 1.00 0.00 C ATOM 1614 OG SER A 107 10.148 1.054 -1.296 1.00 0.00 O ATOM 0 H SER A 107 10.460 2.523 2.664 1.00 0.00 H new ATOM 0 HA SER A 107 10.881 3.162 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.983 0.563 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.239 0.735 0.522 1.00 0.00 H new ATOM 0 HG SER A 107 10.057 0.114 -1.557 1.00 0.00 H new ATOM 1620 N PRO A 108 8.614 4.205 -0.237 1.00 0.00 N ATOM 1621 CA PRO A 108 7.321 4.903 -0.253 1.00 0.00 C ATOM 1622 C PRO A 108 6.169 3.979 -0.632 1.00 0.00 C ATOM 1623 O PRO A 108 5.037 4.423 -0.820 1.00 0.00 O ATOM 1624 CB PRO A 108 7.500 5.991 -1.323 1.00 0.00 C ATOM 1625 CG PRO A 108 8.969 6.061 -1.580 1.00 0.00 C ATOM 1626 CD PRO A 108 9.499 4.684 -1.309 1.00 0.00 C ATOM 0 HA PRO A 108 7.067 5.296 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.954 5.740 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.116 6.950 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.172 6.363 -2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.444 6.797 -0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.446 4.048 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.542 4.706 -0.994 1.00 0.00 H new ATOM 1634 N GLU A 109 6.470 2.691 -0.749 1.00 0.00 N ATOM 1635 CA GLU A 109 5.472 1.692 -1.104 1.00 0.00 C ATOM 1636 C GLU A 109 5.482 0.551 -0.103 1.00 0.00 C ATOM 1637 O GLU A 109 4.466 -0.107 0.109 1.00 0.00 O ATOM 1638 CB GLU A 109 5.746 1.165 -2.517 1.00 0.00 C ATOM 1639 CG GLU A 109 5.465 -0.320 -2.701 1.00 0.00 C ATOM 1640 CD GLU A 109 5.583 -0.761 -4.146 1.00 0.00 C ATOM 1641 OE1 GLU A 109 5.304 0.062 -5.044 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.955 -1.930 -4.381 1.00 0.00 O ATOM 0 H GLU A 109 7.406 2.313 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 109 4.486 2.156 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.138 1.728 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.789 1.359 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.161 -0.896 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.462 -0.544 -2.337 1.00 0.00 H new ATOM 1649 N SER A 110 6.628 0.332 0.534 1.00 0.00 N ATOM 1650 CA SER A 110 6.739 -0.724 1.522 1.00 0.00 C ATOM 1651 C SER A 110 5.815 -0.445 2.683 1.00 0.00 C ATOM 1652 O SER A 110 5.058 -1.308 3.098 1.00 0.00 O ATOM 1653 CB SER A 110 8.170 -0.863 2.025 1.00 0.00 C ATOM 1654 OG SER A 110 8.771 -2.047 1.529 1.00 0.00 O ATOM 0 H SER A 110 7.482 0.868 0.383 1.00 0.00 H new ATOM 0 HA SER A 110 6.453 -1.661 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.754 0.003 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.176 -0.877 3.115 1.00 0.00 H new ATOM 0 HG SER A 110 9.344 -1.828 0.765 1.00 0.00 H new ATOM 1660 N LEU A 111 5.843 0.783 3.165 1.00 0.00 N ATOM 1661 CA LEU A 111 4.970 1.183 4.253 1.00 0.00 C ATOM 1662 C LEU A 111 3.531 0.790 3.962 1.00 0.00 C ATOM 1663 O LEU A 111 2.725 0.624 4.874 1.00 0.00 O ATOM 1664 CB LEU A 111 5.058 2.684 4.465 1.00 0.00 C ATOM 1665 CG LEU A 111 4.339 3.183 5.708 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.205 4.184 6.440 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.992 3.785 5.343 1.00 0.00 C ATOM 0 H LEU A 111 6.459 1.520 2.822 1.00 0.00 H new ATOM 0 HA LEU A 111 5.294 0.670 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.108 2.969 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.642 3.188 3.592 1.00 0.00 H new ATOM 0 HG LEU A 111 4.155 2.339 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.682 4.536 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.141 3.709 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.417 5.029 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.494 4.136 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.140 4.623 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.375 3.028 4.859 1.00 0.00 H new ATOM 1679 N ARG A 112 3.223 0.635 2.683 1.00 0.00 N ATOM 1680 CA ARG A 112 1.885 0.260 2.255 1.00 0.00 C ATOM 1681 C ARG A 112 1.758 -1.244 2.103 1.00 0.00 C ATOM 1682 O ARG A 112 0.981 -1.880 2.806 1.00 0.00 O ATOM 1683 CB ARG A 112 1.555 0.952 0.944 1.00 0.00 C ATOM 1684 CG ARG A 112 1.227 2.407 1.149 1.00 0.00 C ATOM 1685 CD ARG A 112 1.435 3.218 -0.119 1.00 0.00 C ATOM 1686 NE ARG A 112 0.397 2.959 -1.113 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.293 3.916 -1.726 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -0.058 5.192 -1.448 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -1.221 3.598 -2.619 1.00 0.00 N ATOM 0 H ARG A 112 3.887 0.764 1.920 1.00 0.00 H new ATOM 0 HA ARG A 112 1.177 0.578 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.401 0.862 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.710 0.452 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.192 2.503 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.852 2.811 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.443 4.280 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.410 2.982 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 112 0.190 1.989 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.654 5.442 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.590 5.923 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.406 2.619 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.750 4.333 -3.089 1.00 0.00 H new ATOM 1703 N SER A 113 2.526 -1.808 1.183 1.00 0.00 N ATOM 1704 CA SER A 113 2.518 -3.248 0.970 1.00 0.00 C ATOM 1705 C SER A 113 2.691 -3.967 2.301 1.00 0.00 C ATOM 1706 O SER A 113 2.235 -5.095 2.478 1.00 0.00 O ATOM 1707 CB SER A 113 3.631 -3.653 0.003 1.00 0.00 C ATOM 1708 OG SER A 113 3.434 -4.971 -0.479 1.00 0.00 O ATOM 0 H SER A 113 3.161 -1.293 0.573 1.00 0.00 H new ATOM 0 HA SER A 113 1.561 -3.533 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.660 -2.957 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.596 -3.587 0.506 1.00 0.00 H new ATOM 0 HG SER A 113 4.158 -5.205 -1.096 1.00 0.00 H new ATOM 1714 N LYS A 114 3.392 -3.310 3.220 1.00 0.00 N ATOM 1715 CA LYS A 114 3.597 -3.846 4.559 1.00 0.00 C ATOM 1716 C LYS A 114 2.382 -3.583 5.434 1.00 0.00 C ATOM 1717 O LYS A 114 1.959 -4.453 6.192 1.00 0.00 O ATOM 1718 CB LYS A 114 4.847 -3.246 5.209 1.00 0.00 C ATOM 1719 CG LYS A 114 6.139 -3.605 4.492 1.00 0.00 C ATOM 1720 CD LYS A 114 6.353 -5.110 4.434 1.00 0.00 C ATOM 1721 CE LYS A 114 6.247 -5.632 3.010 1.00 0.00 C ATOM 1722 NZ LYS A 114 5.078 -6.538 2.835 1.00 0.00 N ATOM 0 H LYS A 114 3.829 -2.402 3.060 1.00 0.00 H new ATOM 0 HA LYS A 114 3.740 -4.923 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.746 -2.161 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.908 -3.587 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.117 -3.202 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.981 -3.138 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.334 -5.355 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.614 -5.608 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.161 -4.792 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.161 -6.165 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.256 -7.185 2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.933 -7.089 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.228 -5.973 2.637 1.00 0.00 H new ATOM 1736 N VAL A 115 1.832 -2.369 5.344 1.00 0.00 N ATOM 1737 CA VAL A 115 0.655 -2.017 6.136 1.00 0.00 C ATOM 1738 C VAL A 115 -0.533 -2.886 5.721 1.00 0.00 C ATOM 1739 O VAL A 115 -1.074 -3.634 6.536 1.00 0.00 O ATOM 1740 CB VAL A 115 0.304 -0.510 6.030 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.203 -0.279 5.998 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.920 0.254 7.190 1.00 0.00 C ATOM 0 H VAL A 115 2.178 -1.624 4.739 1.00 0.00 H new ATOM 0 HA VAL A 115 0.890 -2.210 7.183 1.00 0.00 H new ATOM 0 HB VAL A 115 0.717 -0.142 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.406 0.789 5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.631 -0.791 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.651 -0.670 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.667 1.311 7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.532 -0.138 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.004 0.138 7.168 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.896 -2.827 4.440 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.991 -3.636 3.914 1.00 0.00 C ATOM 1754 C ASP A 116 -1.813 -5.105 4.293 1.00 0.00 C ATOM 1755 O ASP A 116 -2.771 -5.775 4.687 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.071 -3.491 2.390 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.714 -4.690 1.720 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.817 -5.091 2.148 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -2.115 -5.228 0.765 1.00 0.00 O ATOM 0 H ASP A 116 -0.447 -2.227 3.749 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.922 -3.279 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.640 -2.594 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.067 -3.351 1.989 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.584 -5.599 4.180 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.285 -6.983 4.533 1.00 0.00 C ATOM 1766 C GLU A 117 -0.369 -7.174 6.040 1.00 0.00 C ATOM 1767 O GLU A 117 -0.745 -8.244 6.521 1.00 0.00 O ATOM 1768 CB GLU A 117 1.107 -7.376 4.034 1.00 0.00 C ATOM 1769 CG GLU A 117 1.103 -8.002 2.649 1.00 0.00 C ATOM 1770 CD GLU A 117 2.210 -9.021 2.466 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.036 -10.174 2.913 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.253 -8.665 1.877 1.00 0.00 O ATOM 0 H GLU A 117 0.218 -5.064 3.848 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.023 -7.626 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.743 -6.491 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.552 -8.078 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.140 -8.482 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.209 -7.218 1.900 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.021 -6.128 6.783 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.089 -6.178 8.234 1.00 0.00 C ATOM 1781 C ALA A 118 -1.536 -6.229 8.687 1.00 0.00 C ATOM 1782 O ALA A 118 -1.836 -6.725 9.767 1.00 0.00 O ATOM 1783 CB ALA A 118 0.628 -4.994 8.859 1.00 0.00 C ATOM 0 H ALA A 118 0.309 -5.241 6.404 1.00 0.00 H new ATOM 0 HA ALA A 118 0.416 -7.084 8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.560 -5.059 9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.676 -5.004 8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.163 -4.068 8.521 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.431 -5.723 7.844 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.854 -5.772 8.132 1.00 0.00 C ATOM 1791 C VAL A 119 -4.311 -7.211 8.194 1.00 0.00 C ATOM 1792 O VAL A 119 -5.021 -7.616 9.111 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.674 -5.044 7.068 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.125 -4.955 7.504 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.089 -3.672 6.806 1.00 0.00 C ATOM 0 H VAL A 119 -2.193 -5.276 6.959 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.012 -5.276 9.090 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.636 -5.606 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.703 -4.435 6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.526 -5.959 7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.189 -4.407 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.682 -3.163 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.102 -3.089 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.062 -3.775 6.456 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.878 -7.980 7.208 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.186 -9.393 7.153 1.00 0.00 C ATOM 1807 C ALA A 120 -3.670 -10.081 8.409 1.00 0.00 C ATOM 1808 O ALA A 120 -4.201 -11.103 8.844 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.563 -10.001 5.908 1.00 0.00 C ATOM 0 H ALA A 120 -3.309 -7.643 6.432 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.266 -9.532 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.795 -11.065 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.964 -9.508 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.482 -9.867 5.940 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.639 -9.482 8.993 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.029 -9.990 10.209 1.00 0.00 C ATOM 1817 C VAL A 121 -2.750 -9.449 11.443 1.00 0.00 C ATOM 1818 O VAL A 121 -2.849 -10.126 12.469 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.535 -9.598 10.257 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.014 -9.656 11.671 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.272 -10.489 9.325 1.00 0.00 C ATOM 0 H VAL A 121 -2.205 -8.631 8.635 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.114 -11.077 10.208 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.447 -8.566 9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.067 -9.374 11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.542 -8.967 12.306 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.088 -10.669 12.059 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.323 -10.203 9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.166 -11.529 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.094 -10.374 8.305 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.257 -8.226 11.330 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.979 -7.597 12.427 1.00 0.00 C ATOM 1833 C LEU A 122 -5.312 -8.297 12.639 1.00 0.00 C ATOM 1834 O LEU A 122 -5.748 -8.497 13.771 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.181 -6.101 12.147 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.637 -5.626 12.083 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.014 -4.911 13.370 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.854 -4.721 10.884 1.00 0.00 C ATOM 0 H LEU A 122 -3.181 -7.652 10.490 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.391 -7.691 13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.667 -5.533 12.922 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.698 -5.859 11.201 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.281 -6.498 11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.050 -4.579 13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.899 -5.593 14.212 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.364 -4.048 13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.894 -4.395 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.203 -3.850 10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.621 -5.267 9.970 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.945 -8.686 11.537 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.208 -9.406 11.594 1.00 0.00 C ATOM 1852 C GLN A 123 -6.967 -10.846 12.035 1.00 0.00 C ATOM 1853 O GLN A 123 -7.833 -11.479 12.637 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.896 -9.377 10.228 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.430 -8.006 9.842 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.556 -7.542 10.745 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.329 -7.152 11.891 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.781 -7.578 10.231 1.00 0.00 N ATOM 0 H GLN A 123 -5.601 -8.513 10.592 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.859 -8.920 12.320 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.189 -9.709 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.720 -10.091 10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.617 -7.280 9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.784 -8.035 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.924 -7.908 9.277 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.578 -7.275 10.791 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.764 -11.342 11.748 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.372 -12.695 12.125 1.00 0.00 C ATOM 1869 C ALA A 124 -4.876 -12.740 13.559 1.00 0.00 C ATOM 1870 O ALA A 124 -4.556 -13.808 14.079 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.300 -13.208 11.178 1.00 0.00 C ATOM 0 H ALA A 124 -5.041 -10.821 11.252 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.249 -13.339 12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.013 -14.219 11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.689 -13.218 10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.428 -12.555 11.227 1.00 0.00 H new