USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 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= -2.19 K(o=-2.2,f=-5.4!) USER MOD Set 1.2: A 110 SER OG : rot 130:sc= -0.181 USER MOD Set 1.3: A 114 LYS NZ :NH3+ -147:sc= 0.167 (180deg=0) USER MOD Set 2.1: A 88 LYS NZ :NH3+ 177:sc= -1.92! (180deg=-2.19!) USER MOD Set 2.2: A 92 MET CE :methyl -119:sc= -5.03! (180deg=-7.43!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.766 USER MOD Set 3.2: A 57 MET CE :methyl 176:sc= -4.29! (180deg=-4.28!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -36:sc= 0.313 USER MOD Single : A 66 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.8!) USER MOD Single : A 67 LYS NZ :NH3+ -104:sc= -1.95! (180deg=-3.47!) USER MOD Single : A 68 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 69 MET CE :methyl -161:sc= 0 (180deg=-0.509) USER MOD Single : A 79 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 81 MET CE :methyl -137:sc= -1.71 (180deg=-4.43!) USER MOD Single : A 82 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-9.2!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -90:sc= -2.39 USER MOD Single : A 98 ASN : amide:sc= -0.058 X(o=-0.058,f=-0.48) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -9.5! (180deg=-10.3!) 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 123 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.523 8.694 3.770 1.00 0.00 N ATOM 766 CA LEU A 53 1.885 8.734 4.293 1.00 0.00 C ATOM 767 C LEU A 53 2.703 7.556 3.777 1.00 0.00 C ATOM 768 O LEU A 53 2.161 6.496 3.465 1.00 0.00 O ATOM 769 CB LEU A 53 1.862 8.713 5.823 1.00 0.00 C ATOM 770 CG LEU A 53 2.865 9.644 6.507 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.140 10.747 7.261 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.758 8.858 7.453 1.00 0.00 C ATOM 0 HA LEU A 53 2.352 9.657 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.859 8.978 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.051 7.693 6.158 1.00 0.00 H new ATOM 0 HG LEU A 53 3.489 10.102 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.869 11.399 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.536 11.328 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.494 10.305 8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.466 9.535 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.146 8.375 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.304 8.099 6.892 1.00 0.00 H new ATOM 784 N THR A 54 4.014 7.755 3.691 1.00 0.00 N ATOM 785 CA THR A 54 4.926 6.714 3.235 1.00 0.00 C ATOM 786 C THR A 54 6.358 7.072 3.604 1.00 0.00 C ATOM 787 O THR A 54 6.600 8.075 4.276 1.00 0.00 O ATOM 788 CB THR A 54 4.804 6.508 1.724 1.00 0.00 C ATOM 789 OG1 THR A 54 3.816 7.361 1.175 1.00 0.00 O ATOM 790 CG2 THR A 54 4.447 5.089 1.342 1.00 0.00 C ATOM 0 H THR A 54 4.471 8.634 3.933 1.00 0.00 H new ATOM 0 HA THR A 54 4.656 5.781 3.730 1.00 0.00 H new ATOM 0 HB THR A 54 5.790 6.740 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.757 7.213 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.376 5.011 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.218 4.410 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.489 4.822 1.788 1.00 0.00 H new ATOM 798 N ALA A 55 7.305 6.250 3.166 1.00 0.00 N ATOM 799 CA ALA A 55 8.714 6.479 3.467 1.00 0.00 C ATOM 800 C ALA A 55 9.143 7.891 3.077 1.00 0.00 C ATOM 801 O ALA A 55 10.002 8.489 3.725 1.00 0.00 O ATOM 802 CB ALA A 55 9.581 5.449 2.762 1.00 0.00 C ATOM 0 H ALA A 55 7.123 5.420 2.602 1.00 0.00 H new ATOM 0 HA ALA A 55 8.847 6.374 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.629 5.634 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.305 4.450 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.432 5.524 1.685 1.00 0.00 H new ATOM 808 N SER A 56 8.539 8.421 2.017 1.00 0.00 N ATOM 809 CA SER A 56 8.854 9.768 1.554 1.00 0.00 C ATOM 810 C SER A 56 8.397 10.807 2.574 1.00 0.00 C ATOM 811 O SER A 56 9.160 11.694 2.955 1.00 0.00 O ATOM 812 CB SER A 56 8.192 10.035 0.200 1.00 0.00 C ATOM 813 OG SER A 56 8.924 9.428 -0.851 1.00 0.00 O ATOM 0 H SER A 56 7.830 7.939 1.464 1.00 0.00 H new ATOM 0 HA SER A 56 9.935 9.846 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.172 9.650 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.126 11.109 0.029 1.00 0.00 H new ATOM 0 HG SER A 56 8.481 9.611 -1.706 1.00 0.00 H new ATOM 819 N MET A 57 7.149 10.679 3.018 1.00 0.00 N ATOM 820 CA MET A 57 6.591 11.587 4.015 1.00 0.00 C ATOM 821 C MET A 57 7.417 11.537 5.289 1.00 0.00 C ATOM 822 O MET A 57 7.599 12.542 5.972 1.00 0.00 O ATOM 823 CB MET A 57 5.151 11.195 4.340 1.00 0.00 C ATOM 824 CG MET A 57 4.129 11.611 3.290 1.00 0.00 C ATOM 825 SD MET A 57 4.841 11.831 1.647 1.00 0.00 S ATOM 826 CE MET A 57 4.827 10.143 1.049 1.00 0.00 C ATOM 0 H MET A 57 6.505 9.954 2.702 1.00 0.00 H new ATOM 0 HA MET A 57 6.610 12.598 3.607 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.102 10.114 4.467 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.873 11.641 5.295 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.343 10.857 3.240 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.657 12.543 3.602 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.172 10.120 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.488 9.533 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.813 9.747 1.102 1.00 0.00 H new ATOM 836 N LEU A 58 7.886 10.343 5.612 1.00 0.00 N ATOM 837 CA LEU A 58 8.699 10.132 6.797 1.00 0.00 C ATOM 838 C LEU A 58 10.016 10.881 6.681 1.00 0.00 C ATOM 839 O LEU A 58 10.453 11.546 7.621 1.00 0.00 O ATOM 840 CB LEU A 58 8.958 8.640 6.980 1.00 0.00 C ATOM 841 CG LEU A 58 7.698 7.802 7.171 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.960 6.352 6.792 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.208 7.918 8.605 1.00 0.00 C ATOM 0 H LEU A 58 7.715 9.499 5.065 1.00 0.00 H new ATOM 0 HA LEU A 58 8.163 10.514 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.499 8.268 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.608 8.499 7.844 1.00 0.00 H new ATOM 0 HG LEU A 58 6.916 8.181 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.050 5.769 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.265 6.299 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.752 5.949 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.308 7.316 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.982 7.561 9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.982 8.961 8.829 1.00 0.00 H new ATOM 855 N ALA A 59 10.631 10.787 5.508 1.00 0.00 N ATOM 856 CA ALA A 59 11.887 11.478 5.248 1.00 0.00 C ATOM 857 C ALA A 59 11.679 12.989 5.255 1.00 0.00 C ATOM 858 O ALA A 59 12.639 13.760 5.254 1.00 0.00 O ATOM 859 CB ALA A 59 12.474 11.027 3.918 1.00 0.00 C ATOM 0 H ALA A 59 10.280 10.239 4.722 1.00 0.00 H new ATOM 0 HA ALA A 59 12.591 11.225 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.412 11.552 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.659 9.953 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.772 11.252 3.115 1.00 0.00 H new ATOM 865 N SER A 60 10.414 13.402 5.272 1.00 0.00 N ATOM 866 CA SER A 60 10.064 14.818 5.289 1.00 0.00 C ATOM 867 C SER A 60 10.297 15.418 6.669 1.00 0.00 C ATOM 868 O SER A 60 10.155 16.625 6.864 1.00 0.00 O ATOM 869 CB SER A 60 8.601 15.007 4.891 1.00 0.00 C ATOM 870 OG SER A 60 8.285 16.380 4.738 1.00 0.00 O ATOM 0 H SER A 60 9.612 12.772 5.274 1.00 0.00 H new ATOM 0 HA SER A 60 10.703 15.331 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.404 14.480 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.955 14.565 5.649 1.00 0.00 H new ATOM 0 HG SER A 60 8.771 16.904 5.408 1.00 0.00 H new ATOM 876 N ALA A 61 10.705 14.577 7.613 1.00 0.00 N ATOM 877 CA ALA A 61 10.952 15.021 8.973 1.00 0.00 C ATOM 878 C ALA A 61 12.304 14.518 9.471 1.00 0.00 C ATOM 879 O ALA A 61 12.488 13.320 9.681 1.00 0.00 O ATOM 880 CB ALA A 61 9.839 14.543 9.892 1.00 0.00 C ATOM 0 H ALA A 61 10.871 13.583 7.457 1.00 0.00 H new ATOM 0 HA ALA A 61 10.971 16.111 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.036 14.882 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.887 14.949 9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.796 13.454 9.875 1.00 0.00 H new ATOM 946 N GLN A 66 10.405 11.157 11.993 1.00 0.00 N ATOM 947 CA GLN A 66 10.970 10.135 11.113 1.00 0.00 C ATOM 948 C GLN A 66 10.561 8.744 11.574 1.00 0.00 C ATOM 949 O GLN A 66 9.735 8.080 10.948 1.00 0.00 O ATOM 950 CB GLN A 66 12.494 10.248 11.065 1.00 0.00 C ATOM 951 CG GLN A 66 13.054 10.286 9.652 1.00 0.00 C ATOM 952 CD GLN A 66 14.454 9.710 9.563 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.632 8.502 9.413 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.456 10.577 9.654 1.00 0.00 N ATOM 0 HA GLN A 66 10.577 10.298 10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.800 11.151 11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.930 9.403 11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.393 9.729 8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.066 11.317 9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.261 11.570 9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.420 10.249 9.600 1.00 0.00 H new ATOM 963 N LYS A 67 11.151 8.320 12.675 1.00 0.00 N ATOM 964 CA LYS A 67 10.848 7.029 13.271 1.00 0.00 C ATOM 965 C LYS A 67 9.706 7.163 14.272 1.00 0.00 C ATOM 966 O LYS A 67 9.518 6.301 15.131 1.00 0.00 O ATOM 967 CB LYS A 67 12.086 6.452 13.964 1.00 0.00 C ATOM 968 CG LYS A 67 13.389 7.118 13.550 1.00 0.00 C ATOM 969 CD LYS A 67 14.415 6.096 13.088 1.00 0.00 C ATOM 970 CE LYS A 67 14.738 6.261 11.612 1.00 0.00 C ATOM 971 NZ LYS A 67 14.167 5.158 10.791 1.00 0.00 N ATOM 0 H LYS A 67 11.853 8.858 13.182 1.00 0.00 H new ATOM 0 HA LYS A 67 10.544 6.348 12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.966 6.550 15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.149 5.386 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.196 7.830 12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.791 7.685 14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.327 6.203 13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.035 5.090 13.269 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.347 7.215 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.819 6.291 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.924 4.497 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.445 4.652 11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.732 5.553 9.933 1.00 0.00 H new ATOM 985 N GLN A 68 8.939 8.246 14.149 1.00 0.00 N ATOM 986 CA GLN A 68 7.813 8.491 15.042 1.00 0.00 C ATOM 987 C GLN A 68 6.490 8.501 14.279 1.00 0.00 C ATOM 988 O GLN A 68 5.476 8.011 14.777 1.00 0.00 O ATOM 989 CB GLN A 68 8.000 9.820 15.777 1.00 0.00 C ATOM 990 CG GLN A 68 9.190 9.831 16.721 1.00 0.00 C ATOM 991 CD GLN A 68 8.801 9.515 18.152 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.151 8.463 18.685 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.073 10.429 18.783 1.00 0.00 N ATOM 0 H GLN A 68 9.079 8.965 13.440 1.00 0.00 H new ATOM 0 HA GLN A 68 7.780 7.679 15.768 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.121 10.617 15.044 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.096 10.043 16.343 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.927 9.104 16.380 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.668 10.810 16.686 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.805 11.288 18.303 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.782 10.272 19.748 1.00 0.00 H new ATOM 1002 N MET A 69 6.498 9.067 13.073 1.00 0.00 N ATOM 1003 CA MET A 69 5.286 9.152 12.260 1.00 0.00 C ATOM 1004 C MET A 69 5.001 7.843 11.531 1.00 0.00 C ATOM 1005 O MET A 69 3.958 7.697 10.893 1.00 0.00 O ATOM 1006 CB MET A 69 5.401 10.281 11.231 1.00 0.00 C ATOM 1007 CG MET A 69 5.969 11.579 11.786 1.00 0.00 C ATOM 1008 SD MET A 69 5.715 12.975 10.674 1.00 0.00 S ATOM 1009 CE MET A 69 6.891 12.589 9.381 1.00 0.00 C ATOM 0 H MET A 69 7.327 9.472 12.639 1.00 0.00 H new ATOM 0 HA MET A 69 4.461 9.358 12.942 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.032 9.944 10.409 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.413 10.479 10.814 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.502 11.795 12.747 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.036 11.455 11.971 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.106 13.489 8.804 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.813 12.215 9.827 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.472 11.828 8.723 1.00 0.00 H new ATOM 1019 N LEU A 70 5.938 6.904 11.601 1.00 0.00 N ATOM 1020 CA LEU A 70 5.785 5.623 10.915 1.00 0.00 C ATOM 1021 C LEU A 70 4.562 4.859 11.410 1.00 0.00 C ATOM 1022 O LEU A 70 3.914 4.150 10.640 1.00 0.00 O ATOM 1023 CB LEU A 70 7.030 4.741 11.085 1.00 0.00 C ATOM 1024 CG LEU A 70 7.978 5.100 12.238 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.220 5.325 13.538 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.006 3.997 12.423 1.00 0.00 C ATOM 0 H LEU A 70 6.809 7.003 12.123 1.00 0.00 H new ATOM 0 HA LEU A 70 5.652 5.855 9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.701 3.711 11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.598 4.772 10.155 1.00 0.00 H new ATOM 0 HG LEU A 70 8.482 6.032 11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.924 5.577 14.331 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.511 6.143 13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.681 4.417 13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.676 4.258 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.498 3.061 12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.583 3.880 11.506 1.00 0.00 H new ATOM 1038 N GLY A 71 4.270 4.971 12.699 1.00 0.00 N ATOM 1039 CA GLY A 71 3.137 4.257 13.252 1.00 0.00 C ATOM 1040 C GLY A 71 2.399 5.049 14.315 1.00 0.00 C ATOM 1041 O GLY A 71 1.785 4.470 15.212 1.00 0.00 O ATOM 0 H GLY A 71 4.793 5.538 13.366 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.445 4.006 12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.482 3.316 13.681 1.00 0.00 H new ATOM 1045 N GLU A 72 2.450 6.375 14.213 1.00 0.00 N ATOM 1046 CA GLU A 72 1.772 7.241 15.174 1.00 0.00 C ATOM 1047 C GLU A 72 1.108 8.425 14.476 1.00 0.00 C ATOM 1048 O GLU A 72 0.394 9.207 15.104 1.00 0.00 O ATOM 1049 CB GLU A 72 2.759 7.747 16.228 1.00 0.00 C ATOM 1050 CG GLU A 72 3.425 6.637 17.027 1.00 0.00 C ATOM 1051 CD GLU A 72 3.833 7.082 18.417 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.047 7.808 19.063 1.00 0.00 O ATOM 1053 OE2 GLU A 72 4.937 6.705 18.861 1.00 0.00 O ATOM 0 H GLU A 72 2.952 6.872 13.477 1.00 0.00 H new ATOM 0 HA GLU A 72 0.997 6.651 15.664 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.529 8.340 15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.234 8.412 16.914 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.742 5.792 17.106 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.306 6.286 16.489 1.00 0.00 H new ATOM 1060 N ARG A 73 1.356 8.556 13.177 1.00 0.00 N ATOM 1061 CA ARG A 73 0.773 9.629 12.383 1.00 0.00 C ATOM 1062 C ARG A 73 0.087 9.050 11.154 1.00 0.00 C ATOM 1063 O ARG A 73 -0.770 9.689 10.543 1.00 0.00 O ATOM 1064 CB ARG A 73 1.854 10.627 11.962 1.00 0.00 C ATOM 1065 CG ARG A 73 1.352 12.058 11.858 1.00 0.00 C ATOM 1066 CD ARG A 73 0.862 12.374 10.454 1.00 0.00 C ATOM 1067 NE ARG A 73 0.278 13.710 10.366 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.023 14.309 9.218 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.204 13.693 8.065 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.552 15.525 9.222 1.00 0.00 N ATOM 0 H ARG A 73 1.961 7.927 12.650 1.00 0.00 H new ATOM 0 HA ARG A 73 0.034 10.153 12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.672 10.589 12.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.262 10.323 10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.542 12.214 12.571 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.152 12.746 12.129 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.693 12.295 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.121 11.634 10.154 1.00 0.00 H new ATOM 0 HE ARG A 73 0.091 14.212 11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.610 12.757 8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.028 14.155 7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.728 16.002 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.783 15.984 8.341 1.00 0.00 H new ATOM 1084 N LEU A 74 0.468 7.824 10.812 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.109 7.121 9.676 1.00 0.00 C ATOM 1086 C LEU A 74 -1.474 6.564 10.026 1.00 0.00 C ATOM 1087 O LEU A 74 -2.303 6.327 9.152 1.00 0.00 O ATOM 1088 CB LEU A 74 0.798 5.968 9.274 1.00 0.00 C ATOM 1089 CG LEU A 74 1.635 6.213 8.032 1.00 0.00 C ATOM 1090 CD1 LEU A 74 3.004 5.580 8.195 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.919 5.678 6.802 1.00 0.00 C ATOM 0 H LEU A 74 1.181 7.294 11.312 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.210 7.829 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.466 5.744 10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.184 5.082 9.111 1.00 0.00 H new ATOM 0 HG LEU A 74 1.773 7.286 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.598 5.761 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.507 6.017 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.893 4.506 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.530 5.860 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.753 4.607 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.040 6.184 6.691 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.664 6.311 11.310 1.00 0.00 N ATOM 1104 CA PHE A 75 -2.899 5.732 11.823 1.00 0.00 C ATOM 1105 C PHE A 75 -4.143 6.286 11.111 1.00 0.00 C ATOM 1106 O PHE A 75 -4.954 5.514 10.593 1.00 0.00 O ATOM 1107 CB PHE A 75 -2.983 5.971 13.334 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.653 4.863 14.099 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.522 3.541 13.696 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.383 5.141 15.242 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.123 2.523 14.411 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -4.989 4.127 15.959 1.00 0.00 C ATOM 1113 CZ PHE A 75 -4.860 2.816 15.542 1.00 0.00 C ATOM 0 H PHE A 75 -0.966 6.501 12.029 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.879 4.661 11.623 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.975 6.109 13.725 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.524 6.900 13.514 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.944 3.306 12.814 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.480 6.163 15.577 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.017 1.499 14.086 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.563 4.359 16.844 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.335 2.022 16.099 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.307 7.625 11.040 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.471 8.239 10.390 1.00 0.00 C ATOM 1125 C PRO A 76 -5.446 8.093 8.869 1.00 0.00 C ATOM 1126 O PRO A 76 -6.485 8.172 8.215 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.378 9.723 10.779 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.352 9.790 11.862 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.418 8.644 11.618 1.00 0.00 C ATOM 0 HA PRO A 76 -6.396 7.759 10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.087 10.335 9.925 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.340 10.098 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.819 10.740 11.836 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.817 9.712 12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.613 8.915 10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.950 8.298 12.540 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.255 7.892 8.308 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.107 7.769 6.862 1.00 0.00 C ATOM 1139 C LEU A 77 -4.287 6.327 6.394 1.00 0.00 C ATOM 1140 O LEU A 77 -4.614 6.085 5.231 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.737 8.296 6.425 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.568 9.815 6.524 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.184 10.227 6.051 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.643 10.530 5.718 1.00 0.00 C ATOM 0 H LEU A 77 -3.383 7.811 8.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.891 8.368 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.969 7.819 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.559 7.992 5.393 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.677 10.105 7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.080 11.309 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.429 9.745 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.049 9.922 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.504 11.608 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.569 10.235 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.626 10.260 6.103 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.071 5.371 7.293 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.240 3.962 6.952 1.00 0.00 C ATOM 1158 C ILE A 78 -5.715 3.626 6.802 1.00 0.00 C ATOM 1159 O ILE A 78 -6.099 2.847 5.931 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.632 3.035 8.011 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.189 3.445 8.319 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.708 1.585 7.549 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.173 2.933 7.322 1.00 0.00 C ATOM 0 H ILE A 78 -3.781 5.544 8.255 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.717 3.802 6.009 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.208 3.127 8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.132 4.533 8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.923 3.080 9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.273 0.937 8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.750 1.308 7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.155 1.471 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.177 3.268 7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.199 1.843 7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.410 3.319 6.330 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.541 4.231 7.656 1.00 0.00 N ATOM 1176 CA GLN A 79 -7.987 4.029 7.596 1.00 0.00 C ATOM 1177 C GLN A 79 -8.506 4.337 6.196 1.00 0.00 C ATOM 1178 O GLN A 79 -9.631 3.989 5.841 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.684 4.927 8.617 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.173 4.185 9.848 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.545 5.119 10.983 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.639 5.683 11.005 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -8.634 5.288 11.934 1.00 0.00 N ATOM 0 H GLN A 79 -6.234 4.863 8.395 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.204 2.987 7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.995 5.713 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.532 5.417 8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.039 3.579 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.396 3.499 10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.740 4.801 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.828 5.905 12.723 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.665 5.000 5.414 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.990 5.352 4.039 1.00 0.00 C ATOM 1194 C ALA A 80 -7.688 4.192 3.096 1.00 0.00 C ATOM 1195 O ALA A 80 -8.403 3.970 2.119 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.203 6.582 3.618 1.00 0.00 C ATOM 0 H ALA A 80 -6.740 5.308 5.714 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.056 5.571 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.452 6.838 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.456 7.417 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.136 6.374 3.692 1.00 0.00 H new ATOM 1202 N MET A 81 -6.608 3.471 3.386 1.00 0.00 N ATOM 1203 CA MET A 81 -6.197 2.338 2.561 1.00 0.00 C ATOM 1204 C MET A 81 -7.135 1.154 2.753 1.00 0.00 C ATOM 1205 O MET A 81 -7.408 0.404 1.816 1.00 0.00 O ATOM 1206 CB MET A 81 -4.765 1.925 2.912 1.00 0.00 C ATOM 1207 CG MET A 81 -3.852 3.101 3.213 1.00 0.00 C ATOM 1208 SD MET A 81 -2.318 3.047 2.271 1.00 0.00 S ATOM 1209 CE MET A 81 -1.228 2.286 3.469 1.00 0.00 C ATOM 0 H MET A 81 -6.002 3.651 4.186 1.00 0.00 H new ATOM 0 HA MET A 81 -6.240 2.646 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.788 1.262 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.347 1.353 2.084 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.377 4.030 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.620 3.112 4.278 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.267 2.801 3.465 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.673 2.356 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.079 1.238 3.211 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.619 0.993 3.978 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.513 -0.106 4.312 1.00 0.00 C ATOM 1221 C HIS A 82 -9.836 0.420 4.862 1.00 0.00 C ATOM 1222 O HIS A 82 -9.916 1.572 5.275 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.842 -1.015 5.343 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.038 -2.116 4.729 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.264 -3.431 5.048 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.028 -2.045 3.828 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.402 -4.131 4.331 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.623 -3.331 3.590 1.00 0.00 N ATOM 0 H HIS A 82 -7.406 1.613 4.759 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.722 -0.675 3.406 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.194 -0.413 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.607 -1.449 5.987 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.622 -1.148 3.384 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.334 -5.209 4.341 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.871 -3.625 2.967 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.896 -0.415 4.875 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.213 -0.015 5.388 1.00 0.00 C ATOM 1238 C PRO A 83 -12.177 0.278 6.887 1.00 0.00 C ATOM 1239 O PRO A 83 -12.685 -0.502 7.694 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.107 -1.229 5.101 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.353 -2.053 4.112 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.900 -1.806 4.394 1.00 0.00 C ATOM 0 HA PRO A 83 -12.569 0.903 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.306 -1.794 6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.072 -0.920 4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.597 -3.110 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.607 -1.767 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.510 -2.495 5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.288 -1.927 3.500 1.00 0.00 H new ATOM 1250 N THR A 84 -11.563 1.401 7.249 1.00 0.00 N ATOM 1251 CA THR A 84 -11.439 1.804 8.646 1.00 0.00 C ATOM 1252 C THR A 84 -10.872 0.673 9.501 1.00 0.00 C ATOM 1253 O THR A 84 -11.100 0.621 10.710 1.00 0.00 O ATOM 1254 CB THR A 84 -12.800 2.240 9.194 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.604 2.784 8.162 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.701 3.273 10.295 1.00 0.00 C ATOM 0 H THR A 84 -11.140 2.053 6.588 1.00 0.00 H new ATOM 0 HA THR A 84 -10.747 2.645 8.691 1.00 0.00 H new ATOM 0 HB THR A 84 -13.247 1.337 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.470 3.055 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.702 3.537 10.637 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.129 2.864 11.128 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.201 4.164 9.914 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.132 -0.232 8.865 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.535 -1.362 9.570 1.00 0.00 C ATOM 1266 C LEU A 85 -8.195 -0.974 10.185 1.00 0.00 C ATOM 1267 O LEU A 85 -7.491 -1.815 10.746 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.350 -2.546 8.616 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.487 -3.572 8.626 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.282 -4.607 7.532 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.587 -4.245 9.988 1.00 0.00 C ATOM 0 H LEU A 85 -9.932 -0.205 7.865 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.211 -1.655 10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.237 -2.162 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.420 -3.055 8.869 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.424 -3.049 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.100 -5.327 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.262 -4.111 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.337 -5.125 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.400 -4.971 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.650 -4.754 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.783 -3.493 10.752 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.853 0.305 10.079 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.599 0.814 10.624 1.00 0.00 C ATOM 1285 C ALA A 86 -6.727 1.121 12.108 1.00 0.00 C ATOM 1286 O ALA A 86 -6.328 2.191 12.566 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.172 2.058 9.868 1.00 0.00 C ATOM 0 H ALA A 86 -8.428 1.011 9.619 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.839 0.042 10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.235 2.431 10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.032 1.814 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.942 2.824 9.964 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.293 0.183 12.853 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.414 0.355 14.284 1.00 0.00 C ATOM 1295 C GLY A 87 -6.221 -0.235 15.004 1.00 0.00 C ATOM 1296 O GLY A 87 -6.241 -0.407 16.223 1.00 0.00 O ATOM 0 H GLY A 87 -7.670 -0.693 12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.498 1.416 14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.328 -0.123 14.635 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.183 -0.557 14.232 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.974 -1.161 14.780 1.00 0.00 C ATOM 1302 C LYS A 88 -2.895 -1.388 13.712 1.00 0.00 C ATOM 1303 O LYS A 88 -1.750 -1.666 14.050 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.323 -2.500 15.441 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.130 -3.223 16.046 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.332 -4.729 16.032 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.427 -5.401 15.013 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.503 -6.886 15.095 1.00 0.00 N ATOM 0 H LYS A 88 -5.158 -0.408 13.223 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.568 -0.465 15.514 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.063 -2.325 16.222 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.789 -3.148 14.699 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.228 -2.970 15.489 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.978 -2.884 17.071 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.129 -5.134 17.024 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.373 -4.956 15.802 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.707 -5.078 14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.398 -5.081 15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.910 -7.306 14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.163 -7.200 16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.489 -7.191 14.966 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.255 -1.287 12.430 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.309 -1.551 11.348 1.00 0.00 C ATOM 1324 C ILE A 89 -0.991 -0.799 11.527 1.00 0.00 C ATOM 1325 O ILE A 89 -0.009 -1.375 11.977 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.907 -1.203 9.971 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.234 -1.939 9.771 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.925 -1.559 8.862 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.108 -1.333 8.695 1.00 0.00 C ATOM 0 H ILE A 89 -4.191 -1.025 12.119 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.103 -2.621 11.391 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.096 -0.130 9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.028 -2.979 9.517 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.783 -1.944 10.713 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.361 -1.308 7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.001 -0.998 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.709 -2.627 8.896 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.031 -1.907 8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.345 -0.302 8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.579 -1.353 7.742 1.00 0.00 H new ATOM 1341 N THR A 90 -0.958 0.467 11.126 1.00 0.00 N ATOM 1342 CA THR A 90 0.262 1.270 11.229 1.00 0.00 C ATOM 1343 C THR A 90 0.809 1.244 12.654 1.00 0.00 C ATOM 1344 O THR A 90 2.022 1.180 12.857 1.00 0.00 O ATOM 1345 CB THR A 90 -0.018 2.702 10.761 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.728 2.989 9.591 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.298 3.783 11.775 1.00 0.00 C ATOM 0 H THR A 90 -1.757 0.961 10.728 1.00 0.00 H new ATOM 0 HA THR A 90 1.026 0.841 10.581 1.00 0.00 H new ATOM 0 HB THR A 90 -1.094 2.724 10.587 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.598 3.364 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.066 4.760 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.301 3.626 12.672 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.356 3.742 12.033 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.087 1.270 13.637 1.00 0.00 N ATOM 1356 CA GLY A 91 0.345 1.169 15.017 1.00 0.00 C ATOM 1357 C GLY A 91 1.084 -0.129 15.246 1.00 0.00 C ATOM 1358 O GLY A 91 1.988 -0.214 16.079 1.00 0.00 O ATOM 0 H GLY A 91 -1.094 1.358 13.503 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.991 2.011 15.265 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.519 1.225 15.680 1.00 0.00 H new ATOM 1362 N MET A 92 0.715 -1.131 14.457 1.00 0.00 N ATOM 1363 CA MET A 92 1.363 -2.434 14.498 1.00 0.00 C ATOM 1364 C MET A 92 2.705 -2.362 13.810 1.00 0.00 C ATOM 1365 O MET A 92 3.672 -2.991 14.226 1.00 0.00 O ATOM 1366 CB MET A 92 0.512 -3.476 13.778 1.00 0.00 C ATOM 1367 CG MET A 92 0.743 -4.880 14.284 1.00 0.00 C ATOM 1368 SD MET A 92 0.788 -6.111 12.970 1.00 0.00 S ATOM 1369 CE MET A 92 -0.721 -5.722 12.093 1.00 0.00 C ATOM 0 H MET A 92 -0.039 -1.063 13.774 1.00 0.00 H new ATOM 0 HA MET A 92 1.488 -2.718 15.543 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.541 -3.222 13.897 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.730 -3.440 12.711 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.684 -4.911 14.834 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.047 -5.140 14.989 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.387 -6.585 12.114 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.211 -4.874 12.571 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.486 -5.470 11.059 1.00 0.00 H new ATOM 1379 N LEU A 93 2.727 -1.601 12.730 1.00 0.00 N ATOM 1380 CA LEU A 93 3.919 -1.431 11.917 1.00 0.00 C ATOM 1381 C LEU A 93 5.102 -0.956 12.753 1.00 0.00 C ATOM 1382 O LEU A 93 6.238 -0.933 12.284 1.00 0.00 O ATOM 1383 CB LEU A 93 3.626 -0.448 10.796 1.00 0.00 C ATOM 1384 CG LEU A 93 3.040 -1.077 9.527 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.057 -2.006 8.880 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.756 -1.828 9.843 1.00 0.00 C ATOM 0 H LEU A 93 1.917 -1.082 12.391 1.00 0.00 H new ATOM 0 HA LEU A 93 4.191 -2.397 11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.931 0.306 11.165 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.549 0.070 10.535 1.00 0.00 H new ATOM 0 HG LEU A 93 2.803 -0.278 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.627 -2.446 7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.951 -1.440 8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.323 -2.799 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.357 -2.267 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.965 -2.619 10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.025 -1.138 10.264 1.00 0.00 H new ATOM 1398 N LEU A 94 4.826 -0.591 13.996 1.00 0.00 N ATOM 1399 CA LEU A 94 5.867 -0.189 14.922 1.00 0.00 C ATOM 1400 C LEU A 94 6.097 -1.301 15.935 1.00 0.00 C ATOM 1401 O LEU A 94 6.474 -1.054 17.081 1.00 0.00 O ATOM 1402 CB LEU A 94 5.463 1.103 15.628 1.00 0.00 C ATOM 1403 CG LEU A 94 6.011 2.387 15.000 1.00 0.00 C ATOM 1404 CD1 LEU A 94 5.818 2.367 13.487 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.336 3.600 15.622 1.00 0.00 C ATOM 0 H LEU A 94 3.884 -0.566 14.386 1.00 0.00 H new ATOM 0 HA LEU A 94 6.793 -0.009 14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.375 1.163 15.648 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.798 1.052 16.664 1.00 0.00 H new ATOM 0 HG LEU A 94 7.081 2.450 15.199 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.213 3.288 13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.347 1.513 13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.756 2.286 13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.732 4.509 15.169 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.261 3.547 15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.530 3.615 16.694 1.00 0.00 H new ATOM 1417 N GLU A 95 5.831 -2.531 15.498 1.00 0.00 N ATOM 1418 CA GLU A 95 5.967 -3.702 16.356 1.00 0.00 C ATOM 1419 C GLU A 95 5.783 -4.998 15.565 1.00 0.00 C ATOM 1420 O GLU A 95 5.853 -6.089 16.133 1.00 0.00 O ATOM 1421 CB GLU A 95 4.942 -3.645 17.492 1.00 0.00 C ATOM 1422 CG GLU A 95 3.514 -3.924 17.043 1.00 0.00 C ATOM 1423 CD GLU A 95 2.543 -4.018 18.203 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.367 -3.007 18.913 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.955 -5.103 18.397 1.00 0.00 O ATOM 0 H GLU A 95 5.519 -2.741 14.550 1.00 0.00 H new ATOM 0 HA GLU A 95 6.975 -3.694 16.771 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.221 -4.369 18.258 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.982 -2.659 17.956 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.189 -3.134 16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.491 -4.856 16.479 1.00 0.00 H new ATOM 1432 N ILE A 96 5.568 -4.879 14.255 1.00 0.00 N ATOM 1433 CA ILE A 96 5.367 -6.057 13.403 1.00 0.00 C ATOM 1434 C ILE A 96 6.606 -6.951 13.372 1.00 0.00 C ATOM 1435 O ILE A 96 7.391 -6.991 14.321 1.00 0.00 O ATOM 1436 CB ILE A 96 5.036 -5.679 11.939 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.228 -4.992 11.260 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.791 -4.816 11.847 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.679 -3.714 11.923 1.00 0.00 C ATOM 0 H ILE A 96 5.528 -3.987 13.761 1.00 0.00 H new ATOM 0 HA ILE A 96 4.524 -6.587 13.846 1.00 0.00 H new ATOM 0 HB ILE A 96 4.831 -6.608 11.407 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.066 -5.688 11.236 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.964 -4.775 10.225 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.593 -4.573 10.803 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.941 -5.359 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.943 -3.896 12.411 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.525 -3.299 11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.859 -2.995 11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.979 -3.923 12.950 1.00 0.00 H new ATOM 1451 N ASP A 97 6.786 -7.639 12.245 1.00 0.00 N ATOM 1452 CA ASP A 97 7.937 -8.498 12.021 1.00 0.00 C ATOM 1453 C ASP A 97 9.238 -7.710 12.156 1.00 0.00 C ATOM 1454 O ASP A 97 10.328 -8.277 12.088 1.00 0.00 O ATOM 1455 CB ASP A 97 7.837 -9.107 10.624 1.00 0.00 C ATOM 1456 CG ASP A 97 8.535 -10.448 10.521 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.107 -11.394 11.213 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.511 -10.552 9.748 1.00 0.00 O ATOM 0 H ASP A 97 6.133 -7.613 11.462 1.00 0.00 H new ATOM 0 HA ASP A 97 7.943 -9.289 12.771 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.787 -9.227 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.272 -8.419 9.900 1.00 0.00 H new ATOM 1463 N ASN A 98 9.097 -6.394 12.328 1.00 0.00 N ATOM 1464 CA ASN A 98 10.225 -5.479 12.479 1.00 0.00 C ATOM 1465 C ASN A 98 10.849 -5.145 11.130 1.00 0.00 C ATOM 1466 O ASN A 98 11.449 -4.083 10.961 1.00 0.00 O ATOM 1467 CB ASN A 98 11.284 -6.046 13.430 1.00 0.00 C ATOM 1468 CG ASN A 98 11.317 -5.317 14.759 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.285 -4.876 15.265 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.508 -5.185 15.332 1.00 0.00 N ATOM 0 H ASN A 98 8.188 -5.932 12.366 1.00 0.00 H new ATOM 0 HA ASN A 98 9.836 -4.559 12.915 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.084 -7.103 13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.264 -5.980 12.958 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.593 -4.703 16.227 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.338 -5.566 14.877 1.00 0.00 H new ATOM 1477 N SER A 99 10.692 -6.045 10.168 1.00 0.00 N ATOM 1478 CA SER A 99 11.211 -5.819 8.826 1.00 0.00 C ATOM 1479 C SER A 99 10.296 -4.868 8.069 1.00 0.00 C ATOM 1480 O SER A 99 10.742 -4.119 7.201 1.00 0.00 O ATOM 1481 CB SER A 99 11.345 -7.137 8.068 1.00 0.00 C ATOM 1482 OG SER A 99 10.626 -7.104 6.848 1.00 0.00 O ATOM 0 H SER A 99 10.211 -6.936 10.292 1.00 0.00 H new ATOM 0 HA SER A 99 12.201 -5.371 8.909 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.397 -7.338 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.977 -7.955 8.688 1.00 0.00 H new ATOM 0 HG SER A 99 10.731 -7.960 6.383 1.00 0.00 H new ATOM 1488 N GLU A 100 9.015 -4.899 8.417 1.00 0.00 N ATOM 1489 CA GLU A 100 8.036 -4.007 7.814 1.00 0.00 C ATOM 1490 C GLU A 100 8.184 -2.610 8.398 1.00 0.00 C ATOM 1491 O GLU A 100 7.840 -1.616 7.760 1.00 0.00 O ATOM 1492 CB GLU A 100 6.624 -4.541 8.029 1.00 0.00 C ATOM 1493 CG GLU A 100 6.523 -6.049 7.875 1.00 0.00 C ATOM 1494 CD GLU A 100 5.178 -6.497 7.339 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.171 -6.350 8.065 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.129 -6.995 6.195 1.00 0.00 O ATOM 0 H GLU A 100 8.631 -5.535 9.116 1.00 0.00 H new ATOM 0 HA GLU A 100 8.214 -3.956 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.285 -4.261 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.950 -4.064 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.309 -6.394 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.699 -6.521 8.842 1.00 0.00 H new ATOM 1503 N LEU A 101 8.737 -2.546 9.606 1.00 0.00 N ATOM 1504 CA LEU A 101 8.998 -1.273 10.263 1.00 0.00 C ATOM 1505 C LEU A 101 10.211 -0.599 9.632 1.00 0.00 C ATOM 1506 O LEU A 101 10.349 0.624 9.668 1.00 0.00 O ATOM 1507 CB LEU A 101 9.235 -1.484 11.762 1.00 0.00 C ATOM 1508 CG LEU A 101 9.904 -0.315 12.491 1.00 0.00 C ATOM 1509 CD1 LEU A 101 8.867 0.517 13.230 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.967 -0.823 13.452 1.00 0.00 C ATOM 0 H LEU A 101 9.013 -3.364 10.149 1.00 0.00 H new ATOM 0 HA LEU A 101 8.127 -0.630 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.276 -1.687 12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.852 -2.373 11.894 1.00 0.00 H new ATOM 0 HG LEU A 101 10.388 0.321 11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.361 1.343 13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.143 0.913 12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.353 -0.107 13.961 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.431 0.022 13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.507 -1.482 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.726 -1.374 12.897 1.00 0.00 H new ATOM 1522 N LEU A 102 11.089 -1.414 9.060 1.00 0.00 N ATOM 1523 CA LEU A 102 12.304 -0.919 8.424 1.00 0.00 C ATOM 1524 C LEU A 102 12.070 -0.632 6.948 1.00 0.00 C ATOM 1525 O LEU A 102 12.507 0.394 6.425 1.00 0.00 O ATOM 1526 CB LEU A 102 13.425 -1.949 8.567 1.00 0.00 C ATOM 1527 CG LEU A 102 14.454 -1.644 9.659 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.894 -1.986 11.031 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.744 -2.406 9.401 1.00 0.00 C ATOM 0 H LEU A 102 10.981 -2.428 9.024 1.00 0.00 H new ATOM 0 HA LEU A 102 12.590 0.009 8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.979 -2.922 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.945 -2.031 7.613 1.00 0.00 H new ATOM 0 HG LEU A 102 14.675 -0.577 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.639 -1.763 11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.997 -1.395 11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.644 -3.046 11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.465 -2.178 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.539 -3.477 9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.154 -2.111 8.435 1.00 0.00 H new ATOM 1541 N HIS A 103 11.400 -1.559 6.276 1.00 0.00 N ATOM 1542 CA HIS A 103 11.126 -1.428 4.858 1.00 0.00 C ATOM 1543 C HIS A 103 10.213 -0.240 4.585 1.00 0.00 C ATOM 1544 O HIS A 103 10.423 0.506 3.628 1.00 0.00 O ATOM 1545 CB HIS A 103 10.487 -2.718 4.340 1.00 0.00 C ATOM 1546 CG HIS A 103 11.103 -3.243 3.077 1.00 0.00 C ATOM 1547 ND1 HIS A 103 10.553 -4.308 2.404 1.00 0.00 N ATOM 1548 CD2 HIS A 103 12.211 -2.825 2.416 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.329 -4.513 1.354 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.346 -3.639 1.321 1.00 0.00 N ATOM 0 H HIS A 103 11.036 -2.414 6.697 1.00 0.00 H new ATOM 0 HA HIS A 103 12.067 -1.254 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.561 -3.483 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.425 -2.541 4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 103 12.861 -2.009 2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.165 -5.285 0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 103 13.081 -3.589 0.615 1.00 0.00 H new ATOM 1558 N MET A 104 9.200 -0.067 5.430 1.00 0.00 N ATOM 1559 CA MET A 104 8.263 1.038 5.278 1.00 0.00 C ATOM 1560 C MET A 104 8.998 2.377 5.280 1.00 0.00 C ATOM 1561 O MET A 104 8.626 3.302 4.559 1.00 0.00 O ATOM 1562 CB MET A 104 7.231 1.017 6.407 1.00 0.00 C ATOM 1563 CG MET A 104 7.771 1.578 7.705 1.00 0.00 C ATOM 1564 SD MET A 104 6.834 1.039 9.144 1.00 0.00 S ATOM 1565 CE MET A 104 5.164 1.271 8.545 1.00 0.00 C ATOM 0 H MET A 104 9.009 -0.677 6.225 1.00 0.00 H new ATOM 0 HA MET A 104 7.753 0.920 4.322 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.356 1.592 6.104 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.898 -0.008 6.570 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.812 1.275 7.821 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.759 2.667 7.657 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.469 1.242 9.384 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.088 2.236 8.044 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.916 0.477 7.841 1.00 0.00 H new ATOM 1575 N LEU A 105 10.034 2.474 6.111 1.00 0.00 N ATOM 1576 CA LEU A 105 10.816 3.698 6.233 1.00 0.00 C ATOM 1577 C LEU A 105 11.827 3.819 5.107 1.00 0.00 C ATOM 1578 O LEU A 105 12.464 4.860 4.942 1.00 0.00 O ATOM 1579 CB LEU A 105 11.562 3.718 7.569 1.00 0.00 C ATOM 1580 CG LEU A 105 10.695 3.511 8.808 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.560 3.416 10.053 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.692 4.640 8.939 1.00 0.00 C ATOM 0 H LEU A 105 10.351 1.713 6.712 1.00 0.00 H new ATOM 0 HA LEU A 105 10.123 4.537 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.328 2.943 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.078 4.674 7.663 1.00 0.00 H new ATOM 0 HG LEU A 105 10.150 2.573 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.925 3.269 10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.246 2.574 9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.131 4.337 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.079 4.481 9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.222 5.589 9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.053 4.663 8.056 1.00 0.00 H new ATOM 1594 N GLU A 106 12.011 2.737 4.364 1.00 0.00 N ATOM 1595 CA GLU A 106 13.010 2.718 3.308 1.00 0.00 C ATOM 1596 C GLU A 106 12.388 2.640 1.916 1.00 0.00 C ATOM 1597 O GLU A 106 13.101 2.693 0.913 1.00 0.00 O ATOM 1598 CB GLU A 106 13.976 1.544 3.529 1.00 0.00 C ATOM 1599 CG GLU A 106 13.674 0.317 2.680 1.00 0.00 C ATOM 1600 CD GLU A 106 14.610 0.185 1.494 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.835 0.087 1.712 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.116 0.177 0.347 1.00 0.00 O ATOM 0 H GLU A 106 11.486 1.869 4.472 1.00 0.00 H new ATOM 0 HA GLU A 106 13.557 3.660 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.991 1.879 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.949 1.259 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.750 -0.577 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.646 0.371 2.323 1.00 0.00 H new ATOM 1609 N SER A 107 11.067 2.510 1.847 1.00 0.00 N ATOM 1610 CA SER A 107 10.401 2.401 0.551 1.00 0.00 C ATOM 1611 C SER A 107 9.044 3.101 0.540 1.00 0.00 C ATOM 1612 O SER A 107 8.234 2.920 1.450 1.00 0.00 O ATOM 1613 CB SER A 107 10.223 0.928 0.175 1.00 0.00 C ATOM 1614 OG SER A 107 10.234 0.754 -1.230 1.00 0.00 O ATOM 0 H SER A 107 10.445 2.478 2.655 1.00 0.00 H new ATOM 0 HA SER A 107 11.036 2.898 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.021 0.336 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.283 0.557 0.583 1.00 0.00 H new ATOM 0 HG SER A 107 10.120 -0.196 -1.443 1.00 0.00 H new ATOM 1620 N PRO A 108 8.760 3.883 -0.524 1.00 0.00 N ATOM 1621 CA PRO A 108 7.485 4.588 -0.678 1.00 0.00 C ATOM 1622 C PRO A 108 6.350 3.630 -1.025 1.00 0.00 C ATOM 1623 O PRO A 108 5.219 4.050 -1.270 1.00 0.00 O ATOM 1624 CB PRO A 108 7.735 5.562 -1.841 1.00 0.00 C ATOM 1625 CG PRO A 108 9.201 5.498 -2.119 1.00 0.00 C ATOM 1626 CD PRO A 108 9.654 4.144 -1.658 1.00 0.00 C ATOM 0 HA PRO A 108 7.182 5.087 0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.158 5.277 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.432 6.575 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.402 5.635 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.733 6.288 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.549 3.392 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.702 4.147 -1.357 1.00 0.00 H new ATOM 1634 N GLU A 109 6.668 2.341 -1.058 1.00 0.00 N ATOM 1635 CA GLU A 109 5.683 1.311 -1.364 1.00 0.00 C ATOM 1636 C GLU A 109 5.659 0.250 -0.273 1.00 0.00 C ATOM 1637 O GLU A 109 4.734 -0.554 -0.202 1.00 0.00 O ATOM 1638 CB GLU A 109 5.992 0.660 -2.713 1.00 0.00 C ATOM 1639 CG GLU A 109 6.045 1.646 -3.868 1.00 0.00 C ATOM 1640 CD GLU A 109 5.968 0.963 -5.221 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.885 0.445 -5.563 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.992 0.947 -5.936 1.00 0.00 O ATOM 0 H GLU A 109 7.606 1.983 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 109 4.702 1.784 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.948 0.141 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.234 -0.094 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.221 2.354 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.969 2.222 -3.808 1.00 0.00 H new ATOM 1649 N SER A 110 6.684 0.251 0.577 1.00 0.00 N ATOM 1650 CA SER A 110 6.742 -0.691 1.684 1.00 0.00 C ATOM 1651 C SER A 110 5.797 -0.247 2.781 1.00 0.00 C ATOM 1652 O SER A 110 4.975 -1.022 3.257 1.00 0.00 O ATOM 1653 CB SER A 110 8.163 -0.809 2.225 1.00 0.00 C ATOM 1654 OG SER A 110 8.821 -1.940 1.683 1.00 0.00 O ATOM 0 H SER A 110 7.478 0.889 0.519 1.00 0.00 H new ATOM 0 HA SER A 110 6.437 -1.673 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.724 0.093 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.137 -0.886 3.312 1.00 0.00 H new ATOM 0 HG SER A 110 9.696 -1.673 1.333 1.00 0.00 H new ATOM 1660 N LEU A 111 5.867 1.033 3.117 1.00 0.00 N ATOM 1661 CA LEU A 111 4.967 1.616 4.091 1.00 0.00 C ATOM 1662 C LEU A 111 3.535 1.184 3.782 1.00 0.00 C ATOM 1663 O LEU A 111 2.776 0.818 4.676 1.00 0.00 O ATOM 1664 CB LEU A 111 5.099 3.146 4.023 1.00 0.00 C ATOM 1665 CG LEU A 111 4.558 3.953 5.214 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.191 3.455 5.656 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.540 3.930 6.369 1.00 0.00 C ATOM 0 H LEU A 111 6.543 1.688 2.725 1.00 0.00 H new ATOM 0 HA LEU A 111 5.219 1.277 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.155 3.389 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.589 3.489 3.123 1.00 0.00 H new ATOM 0 HG LEU A 111 4.438 4.985 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.842 4.050 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.486 3.548 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.264 2.409 5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.137 4.507 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.703 2.900 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.487 4.366 6.050 1.00 0.00 H new ATOM 1679 N ARG A 112 3.202 1.162 2.499 1.00 0.00 N ATOM 1680 CA ARG A 112 1.866 0.781 2.067 1.00 0.00 C ATOM 1681 C ARG A 112 1.706 -0.740 2.008 1.00 0.00 C ATOM 1682 O ARG A 112 0.914 -1.312 2.752 1.00 0.00 O ATOM 1683 CB ARG A 112 1.559 1.409 0.705 1.00 0.00 C ATOM 1684 CG ARG A 112 0.686 0.549 -0.190 1.00 0.00 C ATOM 1685 CD ARG A 112 0.088 1.357 -1.328 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.063 0.560 -2.544 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.238 0.185 -3.040 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.363 0.534 -2.431 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -1.289 -0.541 -4.149 1.00 0.00 N ATOM 0 H ARG A 112 3.839 1.404 1.740 1.00 0.00 H new ATOM 0 HA ARG A 112 1.153 1.155 2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.066 2.369 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.498 1.613 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.277 -0.272 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.114 0.103 0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.885 1.745 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.724 2.218 -1.535 1.00 0.00 H new ATOM 0 HE ARG A 112 0.781 0.275 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.329 1.093 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.262 0.244 -2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.426 -0.812 -4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.191 -0.829 -4.529 1.00 0.00 H new ATOM 1703 N SER A 113 2.443 -1.381 1.103 1.00 0.00 N ATOM 1704 CA SER A 113 2.359 -2.829 0.923 1.00 0.00 C ATOM 1705 C SER A 113 2.423 -3.558 2.260 1.00 0.00 C ATOM 1706 O SER A 113 1.589 -4.415 2.551 1.00 0.00 O ATOM 1707 CB SER A 113 3.488 -3.317 0.012 1.00 0.00 C ATOM 1708 OG SER A 113 2.999 -3.634 -1.280 1.00 0.00 O ATOM 0 H SER A 113 3.107 -0.919 0.481 1.00 0.00 H new ATOM 0 HA SER A 113 1.398 -3.051 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.256 -2.547 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.960 -4.196 0.451 1.00 0.00 H new ATOM 0 HG SER A 113 3.739 -3.942 -1.844 1.00 0.00 H new ATOM 1714 N LYS A 114 3.412 -3.208 3.072 1.00 0.00 N ATOM 1715 CA LYS A 114 3.587 -3.830 4.376 1.00 0.00 C ATOM 1716 C LYS A 114 2.409 -3.526 5.294 1.00 0.00 C ATOM 1717 O LYS A 114 2.062 -4.338 6.148 1.00 0.00 O ATOM 1718 CB LYS A 114 4.892 -3.365 5.024 1.00 0.00 C ATOM 1719 CG LYS A 114 6.124 -3.640 4.177 1.00 0.00 C ATOM 1720 CD LYS A 114 6.326 -5.131 3.950 1.00 0.00 C ATOM 1721 CE LYS A 114 7.679 -5.422 3.322 1.00 0.00 C ATOM 1722 NZ LYS A 114 8.650 -5.959 4.314 1.00 0.00 N ATOM 0 H LYS A 114 4.106 -2.495 2.849 1.00 0.00 H new ATOM 0 HA LYS A 114 3.633 -4.909 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.829 -2.295 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.006 -3.861 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.026 -3.135 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.004 -3.224 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.244 -5.659 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.535 -5.512 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.555 -6.139 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.078 -4.508 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.609 -5.637 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.401 -5.617 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.620 -6.998 4.301 1.00 0.00 H new ATOM 1736 N VAL A 115 1.790 -2.357 5.118 1.00 0.00 N ATOM 1737 CA VAL A 115 0.636 -1.992 5.933 1.00 0.00 C ATOM 1738 C VAL A 115 -0.570 -2.844 5.547 1.00 0.00 C ATOM 1739 O VAL A 115 -1.127 -3.553 6.383 1.00 0.00 O ATOM 1740 CB VAL A 115 0.299 -0.486 5.819 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.203 -0.241 5.854 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.983 0.284 6.937 1.00 0.00 C ATOM 0 H VAL A 115 2.065 -1.658 4.428 1.00 0.00 H new ATOM 0 HA VAL A 115 0.892 -2.186 6.975 1.00 0.00 H new ATOM 0 HB VAL A 115 0.668 -0.132 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.399 0.828 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.676 -0.762 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.611 -0.613 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.741 1.343 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.637 -0.089 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.062 0.151 6.863 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.938 -2.806 4.266 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.048 -3.609 3.768 1.00 0.00 C ATOM 1754 C ASP A 116 -1.831 -5.082 4.102 1.00 0.00 C ATOM 1755 O ASP A 116 -2.778 -5.811 4.405 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.196 -3.425 2.255 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.904 -4.589 1.587 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -2.233 -5.599 1.285 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.128 -4.489 1.358 1.00 0.00 O ATOM 0 H ASP A 116 -0.483 -2.229 3.559 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.965 -3.275 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.750 -2.507 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.208 -3.303 1.810 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.572 -5.509 4.057 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.221 -6.884 4.385 1.00 0.00 C ATOM 1766 C GLU A 117 -0.283 -7.094 5.889 1.00 0.00 C ATOM 1767 O GLU A 117 -0.620 -8.179 6.363 1.00 0.00 O ATOM 1768 CB GLU A 117 1.177 -7.222 3.863 1.00 0.00 C ATOM 1769 CG GLU A 117 1.200 -7.626 2.399 1.00 0.00 C ATOM 1770 CD GLU A 117 2.344 -8.565 2.070 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.488 -8.085 1.940 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.094 -9.783 1.944 1.00 0.00 O ATOM 0 H GLU A 117 0.220 -4.922 3.797 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.939 -7.549 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.826 -6.358 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.593 -8.033 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.256 -8.107 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.280 -6.732 1.781 1.00 0.00 H new ATOM 1779 N ALA A 118 0.028 -6.040 6.638 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.037 -6.100 8.089 1.00 0.00 C ATOM 1781 C ALA A 118 -1.482 -6.220 8.535 1.00 0.00 C ATOM 1782 O ALA A 118 -1.772 -6.807 9.572 1.00 0.00 O ATOM 1783 CB ALA A 118 0.617 -4.882 8.719 1.00 0.00 C ATOM 0 H ALA A 118 0.326 -5.139 6.263 1.00 0.00 H new ATOM 0 HA ALA A 118 0.513 -6.980 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.553 -4.955 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.664 -4.836 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.104 -3.980 8.385 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.390 -5.673 7.731 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.811 -5.772 8.017 1.00 0.00 C ATOM 1791 C VAL A 119 -4.223 -7.226 8.067 1.00 0.00 C ATOM 1792 O VAL A 119 -4.876 -7.669 9.007 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.657 -5.060 6.965 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.104 -5.004 7.423 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.106 -3.672 6.693 1.00 0.00 C ATOM 0 H VAL A 119 -2.164 -5.159 6.880 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.982 -5.290 8.980 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.616 -5.619 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.705 -4.495 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.481 -6.017 7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.167 -4.460 8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.720 -3.178 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.120 -3.088 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.082 -3.752 6.329 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.818 -7.966 7.045 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.090 -9.388 6.984 1.00 0.00 C ATOM 1807 C ALA A 120 -3.535 -10.071 8.228 1.00 0.00 C ATOM 1808 O ALA A 120 -4.029 -11.111 8.665 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.468 -9.977 5.728 1.00 0.00 C ATOM 0 H ALA A 120 -3.299 -7.601 6.247 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.167 -9.551 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.675 -11.046 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.892 -9.491 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.390 -9.817 5.746 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.514 -9.444 8.805 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.865 -9.946 10.003 1.00 0.00 C ATOM 1817 C VAL A 121 -2.586 -9.456 11.258 1.00 0.00 C ATOM 1818 O VAL A 121 -2.607 -10.138 12.283 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.389 -9.497 10.036 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.186 -9.569 11.439 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.436 -10.334 9.070 1.00 0.00 C ATOM 0 H VAL A 121 -2.116 -8.574 8.452 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.908 -11.035 9.983 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.347 -8.454 9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.227 -9.245 11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.386 -8.918 12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.131 -10.595 11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.476 -10.008 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.376 -11.384 9.356 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.048 -10.211 8.059 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.178 -8.270 11.166 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.913 -7.691 12.281 1.00 0.00 C ATOM 1833 C LEU A 122 -5.235 -8.425 12.471 1.00 0.00 C ATOM 1834 O LEU A 122 -5.645 -8.709 13.595 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.144 -6.191 12.044 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.607 -5.732 12.038 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.954 -5.048 13.353 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.868 -4.800 10.867 1.00 0.00 C ATOM 0 H LEU A 122 -3.162 -7.690 10.327 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.326 -7.802 13.192 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.612 -5.635 12.816 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.694 -5.920 11.089 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.244 -6.609 11.927 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.996 -4.728 13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.805 -5.746 14.177 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.310 -4.179 13.492 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.911 -4.484 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.223 -3.925 10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.657 -5.321 9.933 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.886 -8.741 11.357 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.144 -9.470 11.390 1.00 0.00 C ATOM 1852 C GLN A 123 -6.919 -10.873 11.939 1.00 0.00 C ATOM 1853 O GLN A 123 -7.753 -11.412 12.664 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.757 -9.536 9.989 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.340 -8.213 9.519 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.585 -7.817 10.287 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.506 -7.157 11.323 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.745 -8.220 9.781 1.00 0.00 N ATOM 0 H GLN A 123 -5.561 -8.502 10.420 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.839 -8.945 12.045 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.993 -9.859 9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.541 -10.293 9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.588 -7.431 9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.579 -8.283 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.764 -8.766 8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.617 -7.984 10.254 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.761 -11.441 11.614 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.389 -12.758 12.108 1.00 0.00 C ATOM 1869 C ALA A 124 -5.047 -12.695 13.587 1.00 0.00 C ATOM 1870 O ALA A 124 -5.857 -13.085 14.425 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.217 -13.312 11.312 1.00 0.00 C ATOM 0 H ALA A 124 -5.064 -11.006 11.009 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.240 -13.428 11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.951 -14.298 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.497 -13.393 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.362 -12.643 11.409 1.00 0.00 H new