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 113 SER OG : rot 180:sc=0.000647 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -160:sc=-0.000333 (180deg=0) USER MOD Set 2.1: A 103 HIS : no HD1:sc= 0.612 K(o=1.6,f=-2.8) USER MOD Set 2.2: A 110 SER OG : rot 150:sc= 0.969 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.933 USER MOD Set 3.2: A 56 SER OG : rot -78:sc= 0.486 USER MOD Set 3.3: A 57 MET CE :methyl -168:sc= -2.94! (180deg=-2.77!) USER MOD Single : A 60 SER OG : rot 60:sc= 0.808 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl 151:sc= -2.83! (180deg=-3.81!) USER MOD Single : A 79 GLN : amide:sc= -0.0246 K(o=-0.025,f=-0.92) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.949 (180deg=-1.13) USER MOD Single : A 82 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-7.8!) USER MOD Single : A 84 THR OG1 : rot 9:sc= 0.786 USER MOD Single : A 88 LYS NZ :NH3+ 145:sc= -2.39 (180deg=-5.21!) USER MOD Single : A 90 THR OG1 : rot -99:sc= -2.19! USER MOD Single : A 92 MET CE :methyl 132:sc= -2.28 (180deg=-5.32!) USER MOD Single : A 98 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 165:sc= -6.41! (180deg=-7.63!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.845 9.569 3.619 1.00 0.00 N ATOM 766 CA LEU A 53 2.000 9.196 4.429 1.00 0.00 C ATOM 767 C LEU A 53 2.723 7.993 3.830 1.00 0.00 C ATOM 768 O LEU A 53 2.090 7.024 3.408 1.00 0.00 O ATOM 769 CB LEU A 53 1.548 8.853 5.851 1.00 0.00 C ATOM 770 CG LEU A 53 2.143 9.693 6.993 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.430 9.067 7.505 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.381 11.133 6.567 1.00 0.00 C ATOM 0 HA LEU A 53 2.686 10.043 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.463 8.944 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.787 7.806 6.040 1.00 0.00 H new ATOM 0 HG LEU A 53 1.415 9.706 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.835 9.677 8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.224 8.063 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.156 9.012 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.802 11.694 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.076 11.154 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.436 11.584 6.266 1.00 0.00 H new ATOM 784 N THR A 54 4.048 8.062 3.803 1.00 0.00 N ATOM 785 CA THR A 54 4.874 6.971 3.292 1.00 0.00 C ATOM 786 C THR A 54 6.339 7.224 3.621 1.00 0.00 C ATOM 787 O THR A 54 6.674 8.223 4.256 1.00 0.00 O ATOM 788 CB THR A 54 4.698 6.796 1.781 1.00 0.00 C ATOM 789 OG1 THR A 54 3.673 7.638 1.285 1.00 0.00 O ATOM 790 CG2 THR A 54 4.358 5.374 1.383 1.00 0.00 C ATOM 0 H THR A 54 4.579 8.869 4.132 1.00 0.00 H new ATOM 0 HA THR A 54 4.549 6.050 3.777 1.00 0.00 H new ATOM 0 HB THR A 54 5.662 7.062 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.582 7.508 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.246 5.316 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.158 4.706 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.425 5.076 1.861 1.00 0.00 H new ATOM 798 N ALA A 55 7.208 6.316 3.188 1.00 0.00 N ATOM 799 CA ALA A 55 8.638 6.433 3.462 1.00 0.00 C ATOM 800 C ALA A 55 9.178 7.806 3.073 1.00 0.00 C ATOM 801 O ALA A 55 10.089 8.327 3.715 1.00 0.00 O ATOM 802 CB ALA A 55 9.405 5.340 2.739 1.00 0.00 C ATOM 0 H ALA A 55 6.948 5.492 2.646 1.00 0.00 H new ATOM 0 HA ALA A 55 8.778 6.316 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.469 5.440 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.057 4.365 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.241 5.429 1.665 1.00 0.00 H new ATOM 808 N SER A 56 8.618 8.385 2.015 1.00 0.00 N ATOM 809 CA SER A 56 9.052 9.697 1.546 1.00 0.00 C ATOM 810 C SER A 56 8.667 10.783 2.544 1.00 0.00 C ATOM 811 O SER A 56 9.490 11.623 2.910 1.00 0.00 O ATOM 812 CB SER A 56 8.444 10.003 0.177 1.00 0.00 C ATOM 813 OG SER A 56 8.128 11.378 0.051 1.00 0.00 O ATOM 0 H SER A 56 7.865 7.968 1.468 1.00 0.00 H new ATOM 0 HA SER A 56 10.138 9.681 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.144 9.715 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.543 9.406 0.035 1.00 0.00 H new ATOM 0 HG SER A 56 7.291 11.566 0.524 1.00 0.00 H new ATOM 819 N MET A 57 7.413 10.755 2.984 1.00 0.00 N ATOM 820 CA MET A 57 6.924 11.715 3.966 1.00 0.00 C ATOM 821 C MET A 57 7.764 11.631 5.228 1.00 0.00 C ATOM 822 O MET A 57 8.060 12.637 5.871 1.00 0.00 O ATOM 823 CB MET A 57 5.464 11.424 4.310 1.00 0.00 C ATOM 824 CG MET A 57 4.463 11.886 3.260 1.00 0.00 C ATOM 825 SD MET A 57 5.168 12.008 1.603 1.00 0.00 S ATOM 826 CE MET A 57 5.038 10.307 1.057 1.00 0.00 C ATOM 0 H MET A 57 6.717 10.077 2.675 1.00 0.00 H new ATOM 0 HA MET A 57 6.998 12.717 3.542 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.346 10.351 4.458 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.225 11.905 5.258 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.623 11.192 3.239 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.066 12.859 3.550 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.619 10.172 0.145 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.422 9.645 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.993 10.067 0.860 1.00 0.00 H new ATOM 836 N LEU A 58 8.142 10.409 5.567 1.00 0.00 N ATOM 837 CA LEU A 58 8.963 10.148 6.736 1.00 0.00 C ATOM 838 C LEU A 58 10.347 10.746 6.562 1.00 0.00 C ATOM 839 O LEU A 58 10.884 11.382 7.469 1.00 0.00 O ATOM 840 CB LEU A 58 9.064 8.643 6.947 1.00 0.00 C ATOM 841 CG LEU A 58 7.717 7.930 7.009 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.887 6.442 6.753 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.049 8.187 8.349 1.00 0.00 C ATOM 0 H LEU A 58 7.889 9.573 5.041 1.00 0.00 H new ATOM 0 HA LEU A 58 8.502 10.611 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.654 8.212 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.607 8.453 7.873 1.00 0.00 H new ATOM 0 HG LEU A 58 7.071 8.329 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.915 5.951 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.321 6.290 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.547 6.016 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.088 7.673 8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.687 7.815 9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.892 9.258 8.478 1.00 0.00 H new ATOM 855 N ALA A 59 10.910 10.553 5.377 1.00 0.00 N ATOM 856 CA ALA A 59 12.226 11.092 5.058 1.00 0.00 C ATOM 857 C ALA A 59 12.186 12.616 5.021 1.00 0.00 C ATOM 858 O ALA A 59 13.224 13.274 4.948 1.00 0.00 O ATOM 859 CB ALA A 59 12.719 10.540 3.729 1.00 0.00 C ATOM 0 H ALA A 59 10.475 10.026 4.619 1.00 0.00 H new ATOM 0 HA ALA A 59 12.922 10.785 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.703 10.953 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.786 9.454 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.022 10.817 2.939 1.00 0.00 H new ATOM 865 N SER A 60 10.978 13.170 5.076 1.00 0.00 N ATOM 866 CA SER A 60 10.793 14.615 5.056 1.00 0.00 C ATOM 867 C SER A 60 11.071 15.219 6.427 1.00 0.00 C ATOM 868 O SER A 60 11.094 16.441 6.583 1.00 0.00 O ATOM 869 CB SER A 60 9.369 14.960 4.619 1.00 0.00 C ATOM 870 OG SER A 60 9.071 14.402 3.351 1.00 0.00 O ATOM 0 H SER A 60 10.111 12.636 5.135 1.00 0.00 H new ATOM 0 HA SER A 60 11.501 15.036 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.659 14.589 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.251 16.043 4.579 1.00 0.00 H new ATOM 0 HG SER A 60 9.163 13.427 3.393 1.00 0.00 H new ATOM 876 N ALA A 61 11.307 14.359 7.414 1.00 0.00 N ATOM 877 CA ALA A 61 11.570 14.808 8.768 1.00 0.00 C ATOM 878 C ALA A 61 12.788 14.100 9.349 1.00 0.00 C ATOM 879 O ALA A 61 12.675 12.988 9.865 1.00 0.00 O ATOM 880 CB ALA A 61 10.348 14.562 9.642 1.00 0.00 C ATOM 0 H ALA A 61 11.320 13.346 7.296 1.00 0.00 H new ATOM 0 HA ALA A 61 11.781 15.877 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.553 14.902 10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.497 15.112 9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.119 13.497 9.655 1.00 0.00 H new ATOM 946 N GLN A 66 10.944 10.587 12.040 1.00 0.00 N ATOM 947 CA GLN A 66 11.430 9.497 11.200 1.00 0.00 C ATOM 948 C GLN A 66 11.186 8.149 11.865 1.00 0.00 C ATOM 949 O GLN A 66 11.166 7.111 11.204 1.00 0.00 O ATOM 950 CB GLN A 66 12.921 9.670 10.920 1.00 0.00 C ATOM 951 CG GLN A 66 13.232 9.944 9.461 1.00 0.00 C ATOM 952 CD GLN A 66 14.622 9.491 9.062 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.578 9.637 9.825 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.743 8.938 7.860 1.00 0.00 N ATOM 0 HA GLN A 66 10.881 9.525 10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.304 10.491 11.526 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.449 8.769 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.496 9.438 8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.133 11.012 9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.924 8.837 7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.655 8.615 7.537 1.00 0.00 H new ATOM 963 N LYS A 67 10.994 8.180 13.178 1.00 0.00 N ATOM 964 CA LYS A 67 10.735 6.972 13.944 1.00 0.00 C ATOM 965 C LYS A 67 9.582 7.188 14.920 1.00 0.00 C ATOM 966 O LYS A 67 9.501 6.526 15.955 1.00 0.00 O ATOM 967 CB LYS A 67 11.992 6.550 14.699 1.00 0.00 C ATOM 968 CG LYS A 67 12.447 7.559 15.741 1.00 0.00 C ATOM 969 CD LYS A 67 13.789 7.170 16.341 1.00 0.00 C ATOM 970 CE LYS A 67 13.664 6.847 17.820 1.00 0.00 C ATOM 971 NZ LYS A 67 14.852 6.109 18.331 1.00 0.00 N ATOM 0 H LYS A 67 11.013 9.034 13.735 1.00 0.00 H new ATOM 0 HA LYS A 67 10.454 6.179 13.251 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.807 5.594 15.189 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.799 6.391 13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.523 8.546 15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.700 7.630 16.532 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.189 6.305 15.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.500 7.985 16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.541 7.772 18.384 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.767 6.250 17.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.727 5.908 19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.955 5.214 17.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.705 6.688 18.196 1.00 0.00 H new ATOM 985 N GLN A 68 8.676 8.096 14.566 1.00 0.00 N ATOM 986 CA GLN A 68 7.528 8.396 15.415 1.00 0.00 C ATOM 987 C GLN A 68 6.230 8.480 14.611 1.00 0.00 C ATOM 988 O GLN A 68 5.220 7.886 14.988 1.00 0.00 O ATOM 989 CB GLN A 68 7.756 9.709 16.162 1.00 0.00 C ATOM 990 CG GLN A 68 8.921 9.660 17.137 1.00 0.00 C ATOM 991 CD GLN A 68 8.470 9.679 18.584 1.00 0.00 C ATOM 992 OE1 GLN A 68 8.043 8.661 19.128 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.560 10.844 19.216 1.00 0.00 N ATOM 0 H GLN A 68 8.715 8.634 13.701 1.00 0.00 H new ATOM 0 HA GLN A 68 7.427 7.578 16.129 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.933 10.504 15.437 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.848 9.970 16.706 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.506 8.758 16.954 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.579 10.509 16.954 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.920 11.663 18.727 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.269 10.919 20.191 1.00 0.00 H new ATOM 1002 N MET A 69 6.251 9.243 13.519 1.00 0.00 N ATOM 1003 CA MET A 69 5.051 9.452 12.711 1.00 0.00 C ATOM 1004 C MET A 69 4.771 8.293 11.753 1.00 0.00 C ATOM 1005 O MET A 69 3.827 8.355 10.965 1.00 0.00 O ATOM 1006 CB MET A 69 5.162 10.757 11.919 1.00 0.00 C ATOM 1007 CG MET A 69 6.134 10.689 10.749 1.00 0.00 C ATOM 1008 SD MET A 69 5.463 11.432 9.247 1.00 0.00 S ATOM 1009 CE MET A 69 6.864 12.398 8.687 1.00 0.00 C ATOM 0 H MET A 69 7.082 9.725 13.175 1.00 0.00 H new ATOM 0 HA MET A 69 4.214 9.509 13.407 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.175 11.027 11.543 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.476 11.554 12.593 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.059 11.198 11.020 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.389 9.647 10.553 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.834 12.487 7.601 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.823 13.391 9.134 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.789 11.904 8.985 1.00 0.00 H new ATOM 1019 N LEU A 70 5.581 7.243 11.813 1.00 0.00 N ATOM 1020 CA LEU A 70 5.378 6.087 10.944 1.00 0.00 C ATOM 1021 C LEU A 70 4.208 5.268 11.443 1.00 0.00 C ATOM 1022 O LEU A 70 3.461 4.685 10.660 1.00 0.00 O ATOM 1023 CB LEU A 70 6.621 5.188 10.863 1.00 0.00 C ATOM 1024 CG LEU A 70 7.854 5.654 11.640 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.254 7.050 11.208 1.00 0.00 C ATOM 1026 CD2 LEU A 70 7.610 5.591 13.139 1.00 0.00 C ATOM 0 H LEU A 70 6.377 7.166 12.446 1.00 0.00 H new ATOM 0 HA LEU A 70 5.178 6.471 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.348 4.195 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.898 5.084 9.814 1.00 0.00 H new ATOM 0 HG LEU A 70 8.679 4.978 11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.133 7.367 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.485 7.049 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.432 7.740 11.400 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.502 5.928 13.667 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.770 6.235 13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.383 4.565 13.428 1.00 0.00 H new ATOM 1038 N GLY A 71 4.062 5.214 12.758 1.00 0.00 N ATOM 1039 CA GLY A 71 2.974 4.466 13.327 1.00 0.00 C ATOM 1040 C GLY A 71 2.175 5.270 14.336 1.00 0.00 C ATOM 1041 O GLY A 71 1.556 4.705 15.238 1.00 0.00 O ATOM 0 H GLY A 71 4.675 5.673 13.432 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.312 4.132 12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.367 3.572 13.811 1.00 0.00 H new ATOM 1045 N GLU A 72 2.175 6.594 14.173 1.00 0.00 N ATOM 1046 CA GLU A 72 1.435 7.475 15.073 1.00 0.00 C ATOM 1047 C GLU A 72 0.845 8.670 14.323 1.00 0.00 C ATOM 1048 O GLU A 72 0.164 9.509 14.912 1.00 0.00 O ATOM 1049 CB GLU A 72 2.343 7.972 16.202 1.00 0.00 C ATOM 1050 CG GLU A 72 2.894 6.859 17.081 1.00 0.00 C ATOM 1051 CD GLU A 72 2.764 7.165 18.559 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.634 7.092 19.084 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.794 7.477 19.194 1.00 0.00 O ATOM 0 H GLU A 72 2.678 7.077 13.428 1.00 0.00 H new ATOM 0 HA GLU A 72 0.614 6.897 15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.176 8.526 15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.784 8.671 16.824 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.368 5.931 16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.944 6.696 16.839 1.00 0.00 H new ATOM 1060 N ARG A 73 1.108 8.736 13.022 1.00 0.00 N ATOM 1061 CA ARG A 73 0.593 9.811 12.182 1.00 0.00 C ATOM 1062 C ARG A 73 -0.133 9.228 10.979 1.00 0.00 C ATOM 1063 O ARG A 73 -0.982 9.876 10.369 1.00 0.00 O ATOM 1064 CB ARG A 73 1.732 10.718 11.715 1.00 0.00 C ATOM 1065 CG ARG A 73 1.315 12.165 11.511 1.00 0.00 C ATOM 1066 CD ARG A 73 0.818 12.407 10.096 1.00 0.00 C ATOM 1067 NE ARG A 73 0.558 13.821 9.839 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.598 14.421 10.112 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -1.597 13.733 10.648 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.755 15.711 9.846 1.00 0.00 N ATOM 0 H ARG A 73 1.679 8.053 12.524 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.107 10.406 12.769 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.538 10.681 12.448 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.134 10.329 10.779 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.530 12.422 12.222 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.160 12.821 11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.558 12.040 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.095 11.835 9.930 1.00 0.00 H new ATOM 0 HE ARG A 73 1.305 14.380 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.481 12.740 10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.482 14.196 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.010 16.243 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.641 16.171 10.055 1.00 0.00 H new ATOM 1084 N LEU A 74 0.207 7.985 10.658 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.417 7.276 9.551 1.00 0.00 C ATOM 1086 C LEU A 74 -1.784 6.763 9.953 1.00 0.00 C ATOM 1087 O LEU A 74 -2.634 6.504 9.107 1.00 0.00 O ATOM 1088 CB LEU A 74 0.454 6.097 9.135 1.00 0.00 C ATOM 1089 CG LEU A 74 1.294 6.334 7.893 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.665 5.703 8.053 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.578 5.796 6.663 1.00 0.00 C ATOM 0 H LEU A 74 0.917 7.446 11.154 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.525 7.969 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.117 5.843 9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.187 5.232 8.964 1.00 0.00 H new ATOM 0 HG LEU A 74 1.434 7.407 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.255 5.882 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.170 6.144 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.556 4.630 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.191 5.972 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.409 4.726 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.379 6.304 6.548 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.961 6.590 11.253 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.201 6.066 11.818 1.00 0.00 C ATOM 1105 C PHE A 75 -4.444 6.560 11.063 1.00 0.00 C ATOM 1106 O PHE A 75 -5.251 5.749 10.596 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.286 6.439 13.303 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.970 5.412 14.162 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.895 4.061 13.854 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.663 5.797 15.299 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.512 3.119 14.655 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -5.282 4.859 16.102 1.00 0.00 C ATOM 1113 CZ PHE A 75 -5.209 3.519 15.778 1.00 0.00 C ATOM 0 H PHE A 75 -1.249 6.808 11.950 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.183 4.981 11.713 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.277 6.600 13.683 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.817 7.386 13.398 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.348 3.742 12.979 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.720 6.843 15.560 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.449 2.071 14.403 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.823 5.174 16.982 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.696 2.785 16.402 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.622 7.891 10.907 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.790 8.444 10.211 1.00 0.00 C ATOM 1125 C PRO A 76 -5.740 8.220 8.702 1.00 0.00 C ATOM 1126 O PRO A 76 -6.771 8.243 8.029 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.715 9.939 10.528 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.271 10.201 10.769 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.731 8.955 11.414 1.00 0.00 C ATOM 0 HA PRO A 76 -6.715 7.966 10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.094 10.539 9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.314 10.189 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.751 10.415 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.133 11.067 11.416 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.693 8.776 11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.762 9.020 12.502 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.539 8.003 8.175 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.360 7.803 6.743 1.00 0.00 C ATOM 1139 C LEU A 77 -4.482 6.331 6.354 1.00 0.00 C ATOM 1140 O LEU A 77 -4.711 6.012 5.188 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.006 8.360 6.301 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.878 9.883 6.401 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.469 10.326 6.044 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.897 10.564 5.501 1.00 0.00 C ATOM 0 H LEU A 77 -3.677 7.961 8.718 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.157 8.342 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.225 7.903 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.824 8.061 5.269 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.078 10.177 7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.398 11.411 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.758 9.866 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.239 10.019 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.791 11.646 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.729 10.262 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.903 10.273 5.805 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.334 5.433 7.327 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.475 4.005 7.058 1.00 0.00 C ATOM 1158 C ILE A 78 -5.939 3.658 6.857 1.00 0.00 C ATOM 1159 O ILE A 78 -6.287 2.872 5.976 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.916 3.135 8.189 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.509 3.592 8.575 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.916 1.672 7.770 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.441 3.197 7.577 1.00 0.00 C ATOM 0 H ILE A 78 -4.119 5.666 8.297 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.900 3.797 6.156 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.556 3.244 9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.507 4.676 8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.256 3.173 9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.517 1.062 8.580 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.935 1.357 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.295 1.548 6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.471 3.557 7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.413 2.111 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.669 3.638 6.607 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.797 4.268 7.673 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.237 4.070 7.552 1.00 0.00 C ATOM 1177 C GLN A 79 -8.683 4.370 6.125 1.00 0.00 C ATOM 1178 O GLN A 79 -9.773 3.989 5.701 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.973 4.988 8.528 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.414 4.298 9.808 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.014 5.068 11.051 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -7.835 5.135 11.400 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.996 5.653 11.726 1.00 0.00 N ATOM 0 H GLN A 79 -6.519 4.902 8.423 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.474 3.033 7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.324 5.826 8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.849 5.404 8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.497 4.173 9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.978 3.300 9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.959 5.571 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.788 6.185 12.571 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.817 5.066 5.399 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.067 5.418 4.009 1.00 0.00 C ATOM 1194 C ALA A 80 -7.778 4.238 3.090 1.00 0.00 C ATOM 1195 O ALA A 80 -8.472 4.028 2.095 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.206 6.606 3.611 1.00 0.00 C ATOM 0 H ALA A 80 -6.923 5.401 5.758 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.119 5.684 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.399 6.863 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.447 7.459 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.154 6.349 3.732 1.00 0.00 H new ATOM 1202 N MET A 81 -6.730 3.486 3.416 1.00 0.00 N ATOM 1203 CA MET A 81 -6.347 2.326 2.618 1.00 0.00 C ATOM 1204 C MET A 81 -7.341 1.191 2.817 1.00 0.00 C ATOM 1205 O MET A 81 -7.799 0.571 1.857 1.00 0.00 O ATOM 1206 CB MET A 81 -4.944 1.848 3.002 1.00 0.00 C ATOM 1207 CG MET A 81 -3.977 2.970 3.337 1.00 0.00 C ATOM 1208 SD MET A 81 -2.817 2.515 4.634 1.00 0.00 S ATOM 1209 CE MET A 81 -1.344 2.196 3.671 1.00 0.00 C ATOM 0 H MET A 81 -6.133 3.659 4.225 1.00 0.00 H new ATOM 0 HA MET A 81 -6.348 2.623 1.569 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.021 1.181 3.861 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.533 1.262 2.179 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.423 3.248 2.440 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.540 3.849 3.650 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.482 2.129 4.335 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.459 1.257 3.130 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.191 3.008 2.960 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.662 0.926 4.075 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.589 -0.138 4.430 1.00 0.00 C ATOM 1221 C HIS A 82 -9.865 0.440 5.031 1.00 0.00 C ATOM 1222 O HIS A 82 -9.823 1.483 5.677 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.924 -1.077 5.434 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.146 -2.185 4.795 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.331 -3.495 5.161 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.191 -2.124 3.836 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.502 -4.200 4.413 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.782 -3.411 3.604 1.00 0.00 N ATOM 0 H HIS A 82 -7.290 1.439 4.874 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.852 -0.691 3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.257 -0.498 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.690 -1.507 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.823 -1.233 3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.415 -5.276 4.449 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.066 -3.711 2.942 1.00 0.00 H new ATOM 1236 N PRO A 83 -11.017 -0.232 4.835 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.301 0.228 5.383 1.00 0.00 C ATOM 1238 C PRO A 83 -12.245 0.405 6.897 1.00 0.00 C ATOM 1239 O PRO A 83 -12.688 -0.463 7.651 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.277 -0.893 5.008 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.642 -1.580 3.849 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.161 -1.489 4.079 1.00 0.00 C ATOM 0 HA PRO A 83 -12.588 1.203 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.428 -1.580 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.256 -0.493 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.965 -2.619 3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.922 -1.102 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.787 -2.344 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.608 -1.460 3.140 1.00 0.00 H new ATOM 1250 N THR A 84 -11.680 1.532 7.331 1.00 0.00 N ATOM 1251 CA THR A 84 -11.523 1.831 8.751 1.00 0.00 C ATOM 1252 C THR A 84 -10.986 0.621 9.513 1.00 0.00 C ATOM 1253 O THR A 84 -11.342 0.394 10.670 1.00 0.00 O ATOM 1254 CB THR A 84 -12.855 2.286 9.355 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.805 1.235 9.327 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.462 3.474 8.642 1.00 0.00 C ATOM 0 H THR A 84 -11.321 2.258 6.711 1.00 0.00 H new ATOM 0 HA THR A 84 -10.799 2.641 8.843 1.00 0.00 H new ATOM 0 HB THR A 84 -12.621 2.579 10.379 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.363 0.402 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.403 3.744 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.774 4.318 8.692 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.646 3.217 7.599 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.128 -0.152 8.853 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.542 -1.343 9.458 1.00 0.00 C ATOM 1266 C LEU A 85 -8.244 -1.006 10.182 1.00 0.00 C ATOM 1267 O LEU A 85 -7.529 -1.896 10.641 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.275 -2.401 8.387 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.287 -3.547 8.338 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.924 -3.635 6.961 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.618 -4.862 8.705 1.00 0.00 C ATOM 0 H LEU A 85 -9.823 0.026 7.896 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.252 -1.736 10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.256 -1.912 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.283 -2.820 8.553 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.073 -3.347 9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.641 -4.456 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.437 -2.700 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.151 -3.813 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.352 -5.667 8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.813 -5.070 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.209 -4.793 9.713 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.944 0.285 10.270 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.730 0.747 10.932 1.00 0.00 C ATOM 1285 C ALA A 86 -6.900 0.769 12.445 1.00 0.00 C ATOM 1286 O ALA A 86 -6.548 1.746 13.104 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.347 2.128 10.421 1.00 0.00 C ATOM 0 H ALA A 86 -8.526 1.031 9.890 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.929 0.047 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.439 2.463 10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.172 2.083 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.155 2.830 10.628 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.440 -0.314 12.992 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.611 -0.407 14.428 1.00 0.00 C ATOM 1295 C GLY A 87 -6.339 -0.860 15.112 1.00 0.00 C ATOM 1296 O GLY A 87 -6.241 -0.843 16.340 1.00 0.00 O ATOM 0 H GLY A 87 -7.762 -1.127 12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.911 0.564 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.416 -1.106 14.655 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.359 -1.261 14.305 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.074 -1.721 14.815 1.00 0.00 C ATOM 1302 C LYS A 88 -3.101 -1.982 13.669 1.00 0.00 C ATOM 1303 O LYS A 88 -2.235 -2.849 13.761 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.254 -2.997 15.650 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.984 -3.469 16.346 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.440 -2.417 17.297 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.278 -1.660 16.675 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.182 -0.266 17.191 1.00 0.00 N ATOM 0 H LYS A 88 -5.434 -1.276 13.288 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.661 -0.938 15.451 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.023 -2.821 16.402 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.618 -3.794 15.002 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.191 -4.386 16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.228 -3.710 15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.233 -1.717 17.561 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.114 -2.893 18.222 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.348 -2.189 16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.397 -1.639 15.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.182 0.011 17.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.676 0.379 16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.621 -0.213 18.132 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.262 -1.257 12.567 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.380 -1.444 11.428 1.00 0.00 C ATOM 1324 C ILE A 89 -1.053 -0.709 11.623 1.00 0.00 C ATOM 1325 O ILE A 89 -0.124 -1.250 12.217 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.032 -1.003 10.110 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.364 -1.736 9.916 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.081 -1.287 8.958 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.162 -1.256 8.725 1.00 0.00 C ATOM 0 H ILE A 89 -3.983 -0.547 12.442 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.184 -2.514 11.365 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.236 0.067 10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.167 -2.802 9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.967 -1.617 10.816 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.541 -0.975 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.153 -0.735 9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.866 -2.355 8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.090 -1.824 8.656 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.392 -0.197 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.580 -1.401 7.815 1.00 0.00 H new ATOM 1341 N THR A 90 -0.975 0.521 11.114 1.00 0.00 N ATOM 1342 CA THR A 90 0.240 1.330 11.206 1.00 0.00 C ATOM 1343 C THR A 90 0.763 1.388 12.634 1.00 0.00 C ATOM 1344 O THR A 90 1.972 1.341 12.860 1.00 0.00 O ATOM 1345 CB THR A 90 -0.045 2.738 10.680 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.722 2.995 9.517 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.232 3.857 11.663 1.00 0.00 C ATOM 0 H THR A 90 -1.746 0.981 10.630 1.00 0.00 H new ATOM 0 HA THR A 90 1.014 0.864 10.595 1.00 0.00 H new ATOM 0 HB THR A 90 -1.116 2.738 10.478 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.515 3.518 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.000 4.815 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.388 3.724 12.550 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.284 3.838 11.949 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.146 1.521 13.591 1.00 0.00 N ATOM 1356 CA GLY A 91 0.261 1.556 14.977 1.00 0.00 C ATOM 1357 C GLY A 91 1.079 0.338 15.333 1.00 0.00 C ATOM 1358 O GLY A 91 1.997 0.403 16.153 1.00 0.00 O ATOM 0 H GLY A 91 -1.150 1.605 13.432 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.844 2.457 15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.620 1.606 15.617 1.00 0.00 H new ATOM 1362 N MET A 92 0.772 -0.772 14.673 1.00 0.00 N ATOM 1363 CA MET A 92 1.479 -2.012 14.900 1.00 0.00 C ATOM 1364 C MET A 92 2.736 -2.059 14.054 1.00 0.00 C ATOM 1365 O MET A 92 3.696 -2.748 14.390 1.00 0.00 O ATOM 1366 CB MET A 92 0.548 -3.178 14.581 1.00 0.00 C ATOM 1367 CG MET A 92 1.180 -4.296 13.798 1.00 0.00 C ATOM 1368 SD MET A 92 0.565 -4.392 12.110 1.00 0.00 S ATOM 1369 CE MET A 92 -0.517 -5.809 12.248 1.00 0.00 C ATOM 0 H MET A 92 0.032 -0.832 13.973 1.00 0.00 H new ATOM 0 HA MET A 92 1.784 -2.083 15.944 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.162 -3.582 15.517 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.307 -2.799 14.021 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.261 -4.156 13.780 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.990 -5.242 14.305 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.481 -5.576 11.796 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.071 -6.659 11.732 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.660 -6.057 13.300 1.00 0.00 H new ATOM 1379 N LEU A 93 2.740 -1.282 12.979 1.00 0.00 N ATOM 1380 CA LEU A 93 3.894 -1.200 12.100 1.00 0.00 C ATOM 1381 C LEU A 93 5.097 -0.661 12.855 1.00 0.00 C ATOM 1382 O LEU A 93 6.206 -0.609 12.326 1.00 0.00 O ATOM 1383 CB LEU A 93 3.582 -0.314 10.903 1.00 0.00 C ATOM 1384 CG LEU A 93 2.978 -1.039 9.697 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.990 -2.001 9.094 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.711 -1.778 10.097 1.00 0.00 C ATOM 0 H LEU A 93 1.953 -0.698 12.696 1.00 0.00 H new ATOM 0 HA LEU A 93 4.130 -2.202 11.741 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.892 0.468 11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.501 0.180 10.587 1.00 0.00 H new ATOM 0 HG LEU A 93 2.717 -0.296 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.545 -2.508 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.871 -1.447 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.281 -2.739 9.842 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.296 -2.287 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.946 -2.511 10.869 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.981 -1.066 10.483 1.00 0.00 H new ATOM 1398 N LEU A 94 4.870 -0.258 14.098 1.00 0.00 N ATOM 1399 CA LEU A 94 5.945 0.200 14.954 1.00 0.00 C ATOM 1400 C LEU A 94 6.199 -0.843 16.029 1.00 0.00 C ATOM 1401 O LEU A 94 6.654 -0.533 17.130 1.00 0.00 O ATOM 1402 CB LEU A 94 5.594 1.550 15.576 1.00 0.00 C ATOM 1403 CG LEU A 94 6.252 2.753 14.897 1.00 0.00 C ATOM 1404 CD1 LEU A 94 5.927 2.765 13.409 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.809 4.051 15.556 1.00 0.00 C ATOM 0 H LEU A 94 3.947 -0.241 14.533 1.00 0.00 H new ATOM 0 HA LEU A 94 6.852 0.334 14.364 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.512 1.679 15.546 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.885 1.538 16.626 1.00 0.00 H new ATOM 0 HG LEU A 94 7.332 2.667 15.013 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.402 3.627 12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.299 1.850 12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.847 2.827 13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.288 4.894 15.058 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.726 4.149 15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.094 4.041 16.608 1.00 0.00 H new ATOM 1417 N GLU A 95 5.869 -2.088 15.691 1.00 0.00 N ATOM 1418 CA GLU A 95 6.033 -3.206 16.610 1.00 0.00 C ATOM 1419 C GLU A 95 5.915 -4.546 15.882 1.00 0.00 C ATOM 1420 O GLU A 95 6.068 -5.602 16.496 1.00 0.00 O ATOM 1421 CB GLU A 95 4.994 -3.128 17.732 1.00 0.00 C ATOM 1422 CG GLU A 95 3.589 -3.519 17.298 1.00 0.00 C ATOM 1423 CD GLU A 95 2.617 -3.578 18.459 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.009 -2.534 18.779 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.465 -4.667 19.052 1.00 0.00 O ATOM 0 H GLU A 95 5.485 -2.346 14.782 1.00 0.00 H new ATOM 0 HA GLU A 95 7.032 -3.140 17.041 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.306 -3.779 18.549 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.973 -2.111 18.125 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.227 -2.801 16.562 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.622 -4.491 16.806 1.00 0.00 H new ATOM 1432 N ILE A 96 5.684 -4.503 14.566 1.00 0.00 N ATOM 1433 CA ILE A 96 5.554 -5.731 13.775 1.00 0.00 C ATOM 1434 C ILE A 96 6.850 -6.545 13.785 1.00 0.00 C ATOM 1435 O ILE A 96 7.659 -6.451 14.709 1.00 0.00 O ATOM 1436 CB ILE A 96 5.199 -5.453 12.294 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.350 -4.740 11.577 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.911 -4.662 12.163 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.693 -3.388 12.147 1.00 0.00 C ATOM 0 H ILE A 96 5.584 -3.641 14.030 1.00 0.00 H new ATOM 0 HA ILE A 96 4.744 -6.288 14.246 1.00 0.00 H new ATOM 0 HB ILE A 96 5.042 -6.418 11.813 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.236 -5.374 11.618 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.090 -4.622 10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.697 -4.488 11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.092 -5.224 12.612 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.018 -3.705 12.675 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.517 -2.953 11.582 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.823 -2.734 12.082 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.987 -3.497 13.191 1.00 0.00 H new ATOM 1451 N ASP A 97 7.048 -7.315 12.716 1.00 0.00 N ATOM 1452 CA ASP A 97 8.245 -8.122 12.537 1.00 0.00 C ATOM 1453 C ASP A 97 9.503 -7.255 12.529 1.00 0.00 C ATOM 1454 O ASP A 97 10.619 -7.768 12.429 1.00 0.00 O ATOM 1455 CB ASP A 97 8.136 -8.886 11.217 1.00 0.00 C ATOM 1456 CG ASP A 97 8.841 -10.228 11.258 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.628 -10.980 12.232 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.607 -10.525 10.318 1.00 0.00 O ATOM 0 H ASP A 97 6.379 -7.394 11.950 1.00 0.00 H new ATOM 0 HA ASP A 97 8.324 -8.819 13.371 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.084 -9.040 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.561 -8.281 10.416 1.00 0.00 H new ATOM 1463 N ASN A 98 9.302 -5.938 12.602 1.00 0.00 N ATOM 1464 CA ASN A 98 10.392 -4.963 12.597 1.00 0.00 C ATOM 1465 C ASN A 98 10.942 -4.753 11.192 1.00 0.00 C ATOM 1466 O ASN A 98 11.427 -3.670 10.865 1.00 0.00 O ATOM 1467 CB ASN A 98 11.516 -5.377 13.554 1.00 0.00 C ATOM 1468 CG ASN A 98 11.512 -4.567 14.837 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.642 -3.723 15.051 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.492 -4.819 15.698 1.00 0.00 N ATOM 0 H ASN A 98 8.375 -5.517 12.666 1.00 0.00 H new ATOM 0 HA ASN A 98 9.979 -4.017 12.946 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.413 -6.435 13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.477 -5.256 13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.544 -4.304 16.577 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.193 -5.528 15.480 1.00 0.00 H new ATOM 1477 N SER A 99 10.847 -5.779 10.358 1.00 0.00 N ATOM 1478 CA SER A 99 11.295 -5.671 8.977 1.00 0.00 C ATOM 1479 C SER A 99 10.303 -4.838 8.179 1.00 0.00 C ATOM 1480 O SER A 99 10.663 -4.196 7.193 1.00 0.00 O ATOM 1481 CB SER A 99 11.459 -7.051 8.343 1.00 0.00 C ATOM 1482 OG SER A 99 11.954 -7.991 9.281 1.00 0.00 O ATOM 0 H SER A 99 10.466 -6.691 10.612 1.00 0.00 H new ATOM 0 HA SER A 99 12.268 -5.180 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.499 -7.392 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.141 -6.986 7.495 1.00 0.00 H new ATOM 0 HG SER A 99 12.048 -8.866 8.849 1.00 0.00 H new ATOM 1488 N GLU A 100 9.052 -4.840 8.632 1.00 0.00 N ATOM 1489 CA GLU A 100 8.009 -4.038 8.009 1.00 0.00 C ATOM 1490 C GLU A 100 8.101 -2.607 8.514 1.00 0.00 C ATOM 1491 O GLU A 100 7.726 -1.666 7.816 1.00 0.00 O ATOM 1492 CB GLU A 100 6.630 -4.628 8.296 1.00 0.00 C ATOM 1493 CG GLU A 100 6.638 -6.142 8.432 1.00 0.00 C ATOM 1494 CD GLU A 100 5.777 -6.827 7.389 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.688 -6.300 7.080 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.193 -7.891 6.883 1.00 0.00 O ATOM 0 H GLU A 100 8.738 -5.391 9.431 1.00 0.00 H new ATOM 0 HA GLU A 100 8.153 -4.043 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.240 -4.190 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.948 -4.346 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.662 -6.505 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.284 -6.415 9.426 1.00 0.00 H new ATOM 1503 N LEU A 101 8.642 -2.454 9.720 1.00 0.00 N ATOM 1504 CA LEU A 101 8.869 -1.137 10.299 1.00 0.00 C ATOM 1505 C LEU A 101 10.070 -0.487 9.623 1.00 0.00 C ATOM 1506 O LEU A 101 10.199 0.734 9.585 1.00 0.00 O ATOM 1507 CB LEU A 101 9.115 -1.252 11.809 1.00 0.00 C ATOM 1508 CG LEU A 101 9.908 -0.104 12.439 1.00 0.00 C ATOM 1509 CD1 LEU A 101 8.973 0.883 13.119 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.930 -0.645 13.429 1.00 0.00 C ATOM 0 H LEU A 101 8.931 -3.230 10.315 1.00 0.00 H new ATOM 0 HA LEU A 101 7.984 -0.520 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.150 -1.322 12.312 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.644 -2.185 12.003 1.00 0.00 H new ATOM 0 HG LEU A 101 10.441 0.422 11.647 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.556 1.691 13.561 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.281 1.294 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.411 0.372 13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.485 0.184 13.868 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.417 -1.196 14.217 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.621 -1.311 12.912 1.00 0.00 H new ATOM 1522 N LEU A 102 10.949 -1.333 9.095 1.00 0.00 N ATOM 1523 CA LEU A 102 12.158 -0.878 8.425 1.00 0.00 C ATOM 1524 C LEU A 102 11.896 -0.586 6.954 1.00 0.00 C ATOM 1525 O LEU A 102 12.306 0.450 6.431 1.00 0.00 O ATOM 1526 CB LEU A 102 13.246 -1.950 8.541 1.00 0.00 C ATOM 1527 CG LEU A 102 13.941 -2.073 9.908 1.00 0.00 C ATOM 1528 CD1 LEU A 102 15.414 -2.400 9.721 1.00 0.00 C ATOM 1529 CD2 LEU A 102 13.778 -0.805 10.739 1.00 0.00 C ATOM 0 H LEU A 102 10.843 -2.347 9.120 1.00 0.00 H new ATOM 0 HA LEU A 102 12.486 0.043 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.803 -2.915 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.007 -1.747 7.788 1.00 0.00 H new ATOM 0 HG LEU A 102 13.462 -2.886 10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.895 -2.484 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.512 -3.344 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.893 -1.606 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.282 -0.931 11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.217 0.038 10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.718 -0.615 10.909 1.00 0.00 H new ATOM 1541 N HIS A 103 11.242 -1.527 6.284 1.00 0.00 N ATOM 1542 CA HIS A 103 10.944 -1.395 4.869 1.00 0.00 C ATOM 1543 C HIS A 103 10.029 -0.204 4.610 1.00 0.00 C ATOM 1544 O HIS A 103 10.229 0.549 3.657 1.00 0.00 O ATOM 1545 CB HIS A 103 10.292 -2.682 4.364 1.00 0.00 C ATOM 1546 CG HIS A 103 10.876 -3.190 3.083 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.343 -2.331 2.116 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.050 -4.467 2.663 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.785 -3.097 1.134 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.627 -4.397 1.422 1.00 0.00 N ATOM 0 H HIS A 103 10.907 -2.394 6.704 1.00 0.00 H new ATOM 0 HA HIS A 103 11.876 -1.223 4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.390 -3.453 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.225 -2.507 4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.785 -5.365 3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.218 -2.724 0.218 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.887 -5.185 0.829 1.00 0.00 H new ATOM 1558 N MET A 104 9.025 -0.041 5.466 1.00 0.00 N ATOM 1559 CA MET A 104 8.070 1.051 5.336 1.00 0.00 C ATOM 1560 C MET A 104 8.774 2.405 5.326 1.00 0.00 C ATOM 1561 O MET A 104 8.318 3.343 4.674 1.00 0.00 O ATOM 1562 CB MET A 104 7.069 1.000 6.488 1.00 0.00 C ATOM 1563 CG MET A 104 7.712 1.263 7.836 1.00 0.00 C ATOM 1564 SD MET A 104 6.690 2.280 8.914 1.00 0.00 S ATOM 1565 CE MET A 104 5.090 1.526 8.655 1.00 0.00 C ATOM 0 H MET A 104 8.852 -0.656 6.261 1.00 0.00 H new ATOM 0 HA MET A 104 7.547 0.933 4.387 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.284 1.737 6.315 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.589 0.021 6.504 1.00 0.00 H new ATOM 0 HG2 MET A 104 7.915 0.312 8.328 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.673 1.755 7.685 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.403 1.854 9.435 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.701 1.823 7.681 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.189 0.441 8.691 1.00 0.00 H new ATOM 1575 N LEU A 105 9.872 2.508 6.072 1.00 0.00 N ATOM 1576 CA LEU A 105 10.628 3.752 6.150 1.00 0.00 C ATOM 1577 C LEU A 105 11.646 3.843 5.027 1.00 0.00 C ATOM 1578 O LEU A 105 12.268 4.886 4.825 1.00 0.00 O ATOM 1579 CB LEU A 105 11.358 3.854 7.492 1.00 0.00 C ATOM 1580 CG LEU A 105 10.510 3.545 8.722 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.372 3.539 9.975 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.383 4.551 8.852 1.00 0.00 C ATOM 0 H LEU A 105 10.256 1.745 6.630 1.00 0.00 H new ATOM 0 HA LEU A 105 9.918 4.573 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.208 3.172 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.760 4.862 7.592 1.00 0.00 H new ATOM 0 HG LEU A 105 10.074 2.553 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.751 3.317 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.147 2.779 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.836 4.517 10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.787 4.317 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.800 5.553 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.751 4.506 7.965 1.00 0.00 H new ATOM 1594 N GLU A 106 11.836 2.740 4.316 1.00 0.00 N ATOM 1595 CA GLU A 106 12.838 2.695 3.263 1.00 0.00 C ATOM 1596 C GLU A 106 12.220 2.660 1.867 1.00 0.00 C ATOM 1597 O GLU A 106 12.934 2.779 0.870 1.00 0.00 O ATOM 1598 CB GLU A 106 13.755 1.481 3.468 1.00 0.00 C ATOM 1599 CG GLU A 106 13.329 0.242 2.693 1.00 0.00 C ATOM 1600 CD GLU A 106 14.318 -0.137 1.608 1.00 0.00 C ATOM 1601 OE1 GLU A 106 14.828 0.776 0.925 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.583 -1.346 1.441 1.00 0.00 O ATOM 0 H GLU A 106 11.315 1.873 4.448 1.00 0.00 H new ATOM 0 HA GLU A 106 13.421 3.614 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.769 1.751 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.787 1.239 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.216 -0.593 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.352 0.418 2.243 1.00 0.00 H new ATOM 1609 N SER A 107 10.903 2.491 1.784 1.00 0.00 N ATOM 1610 CA SER A 107 10.242 2.419 0.485 1.00 0.00 C ATOM 1611 C SER A 107 8.902 3.151 0.488 1.00 0.00 C ATOM 1612 O SER A 107 8.088 2.967 1.393 1.00 0.00 O ATOM 1613 CB SER A 107 10.031 0.959 0.086 1.00 0.00 C ATOM 1614 OG SER A 107 10.168 0.785 -1.314 1.00 0.00 O ATOM 0 H SER A 107 10.281 2.403 2.587 1.00 0.00 H new ATOM 0 HA SER A 107 10.890 2.910 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.753 0.329 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.039 0.633 0.400 1.00 0.00 H new ATOM 0 HG SER A 107 10.030 -0.158 -1.541 1.00 0.00 H new ATOM 1620 N PRO A 108 8.645 3.980 -0.544 1.00 0.00 N ATOM 1621 CA PRO A 108 7.385 4.720 -0.668 1.00 0.00 C ATOM 1622 C PRO A 108 6.221 3.801 -1.018 1.00 0.00 C ATOM 1623 O PRO A 108 5.097 4.254 -1.235 1.00 0.00 O ATOM 1624 CB PRO A 108 7.660 5.700 -1.809 1.00 0.00 C ATOM 1625 CG PRO A 108 8.697 5.027 -2.638 1.00 0.00 C ATOM 1626 CD PRO A 108 9.553 4.246 -1.678 1.00 0.00 C ATOM 0 HA PRO A 108 7.097 5.208 0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.758 5.899 -2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.015 6.659 -1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.239 4.369 -3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.292 5.757 -3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.917 3.321 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.428 4.816 -1.366 1.00 0.00 H new ATOM 1634 N GLU A 109 6.507 2.506 -1.076 1.00 0.00 N ATOM 1635 CA GLU A 109 5.496 1.504 -1.382 1.00 0.00 C ATOM 1636 C GLU A 109 5.475 0.427 -0.309 1.00 0.00 C ATOM 1637 O GLU A 109 4.567 -0.399 -0.266 1.00 0.00 O ATOM 1638 CB GLU A 109 5.771 0.875 -2.748 1.00 0.00 C ATOM 1639 CG GLU A 109 5.904 1.890 -3.872 1.00 0.00 C ATOM 1640 CD GLU A 109 5.660 1.282 -5.239 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.626 0.604 -5.411 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.505 1.483 -6.136 1.00 0.00 O ATOM 0 H GLU A 109 7.439 2.124 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 109 4.522 1.993 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.688 0.288 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.964 0.183 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.196 2.703 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.902 2.327 -3.846 1.00 0.00 H new ATOM 1649 N SER A 110 6.484 0.440 0.559 1.00 0.00 N ATOM 1650 CA SER A 110 6.551 -0.513 1.656 1.00 0.00 C ATOM 1651 C SER A 110 5.630 -0.071 2.773 1.00 0.00 C ATOM 1652 O SER A 110 4.846 -0.854 3.294 1.00 0.00 O ATOM 1653 CB SER A 110 7.977 -0.649 2.176 1.00 0.00 C ATOM 1654 OG SER A 110 8.575 -1.846 1.714 1.00 0.00 O ATOM 0 H SER A 110 7.262 1.099 0.522 1.00 0.00 H new ATOM 0 HA SER A 110 6.232 -1.488 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.569 0.206 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.973 -0.638 3.266 1.00 0.00 H new ATOM 0 HG SER A 110 9.542 -1.715 1.625 1.00 0.00 H new ATOM 1660 N LEU A 111 5.703 1.206 3.102 1.00 0.00 N ATOM 1661 CA LEU A 111 4.823 1.785 4.094 1.00 0.00 C ATOM 1662 C LEU A 111 3.386 1.357 3.802 1.00 0.00 C ATOM 1663 O LEU A 111 2.641 0.973 4.703 1.00 0.00 O ATOM 1664 CB LEU A 111 4.972 3.312 4.038 1.00 0.00 C ATOM 1665 CG LEU A 111 4.407 4.119 5.215 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.021 3.641 5.620 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.362 4.074 6.395 1.00 0.00 C ATOM 0 H LEU A 111 6.367 1.863 2.693 1.00 0.00 H new ATOM 0 HA LEU A 111 5.081 1.440 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.033 3.544 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.491 3.664 3.126 1.00 0.00 H new ATOM 0 HG LEU A 111 4.305 5.153 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.660 4.240 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.339 3.747 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.070 2.594 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.947 4.651 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.503 3.040 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.322 4.499 6.102 1.00 0.00 H new ATOM 1679 N ARG A 112 3.037 1.347 2.521 1.00 0.00 N ATOM 1680 CA ARG A 112 1.701 0.955 2.096 1.00 0.00 C ATOM 1681 C ARG A 112 1.553 -0.565 2.056 1.00 0.00 C ATOM 1682 O ARG A 112 0.663 -1.123 2.695 1.00 0.00 O ATOM 1683 CB ARG A 112 1.391 1.561 0.724 1.00 0.00 C ATOM 1684 CG ARG A 112 0.634 0.628 -0.205 1.00 0.00 C ATOM 1685 CD ARG A 112 0.220 1.334 -1.485 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.581 0.473 -2.350 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.245 0.164 -3.599 1.00 0.00 C ATOM 1688 NH1 ARG A 112 0.873 0.642 -4.126 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -1.028 -0.628 -4.320 1.00 0.00 N ATOM 0 H ARG A 112 3.663 1.607 1.758 1.00 0.00 H new ATOM 0 HA ARG A 112 0.986 1.337 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.807 2.471 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.327 1.852 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.259 -0.231 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.251 0.245 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.350 2.230 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.110 1.661 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.447 0.087 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.479 1.249 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.128 0.403 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.888 -1.000 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.770 -0.865 -5.278 1.00 0.00 H new ATOM 1703 N SER A 113 2.409 -1.225 1.281 1.00 0.00 N ATOM 1704 CA SER A 113 2.359 -2.677 1.143 1.00 0.00 C ATOM 1705 C SER A 113 2.404 -3.352 2.508 1.00 0.00 C ATOM 1706 O SER A 113 1.504 -4.109 2.865 1.00 0.00 O ATOM 1707 CB SER A 113 3.521 -3.171 0.279 1.00 0.00 C ATOM 1708 OG SER A 113 3.518 -4.585 0.179 1.00 0.00 O ATOM 0 H SER A 113 3.147 -0.776 0.738 1.00 0.00 H new ATOM 0 HA SER A 113 1.419 -2.938 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.450 -2.733 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.465 -2.836 0.708 1.00 0.00 H new ATOM 0 HG SER A 113 4.269 -4.875 -0.379 1.00 0.00 H new ATOM 1714 N LYS A 114 3.449 -3.055 3.270 1.00 0.00 N ATOM 1715 CA LYS A 114 3.621 -3.624 4.599 1.00 0.00 C ATOM 1716 C LYS A 114 2.399 -3.370 5.476 1.00 0.00 C ATOM 1717 O LYS A 114 2.068 -4.189 6.328 1.00 0.00 O ATOM 1718 CB LYS A 114 4.869 -3.049 5.273 1.00 0.00 C ATOM 1719 CG LYS A 114 6.146 -3.269 4.479 1.00 0.00 C ATOM 1720 CD LYS A 114 6.520 -4.741 4.414 1.00 0.00 C ATOM 1721 CE LYS A 114 6.816 -5.177 2.989 1.00 0.00 C ATOM 1722 NZ LYS A 114 5.628 -5.797 2.340 1.00 0.00 N ATOM 0 H LYS A 114 4.194 -2.419 2.987 1.00 0.00 H new ATOM 0 HA LYS A 114 3.741 -4.701 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.728 -1.979 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.981 -3.502 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.018 -2.881 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.960 -2.706 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.393 -4.924 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.706 -5.343 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.140 -4.315 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.641 -5.889 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.936 -6.374 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.133 -6.401 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.985 -5.050 2.008 1.00 0.00 H new ATOM 1736 N VAL A 115 1.733 -2.231 5.273 1.00 0.00 N ATOM 1737 CA VAL A 115 0.545 -1.908 6.056 1.00 0.00 C ATOM 1738 C VAL A 115 -0.625 -2.791 5.632 1.00 0.00 C ATOM 1739 O VAL A 115 -1.170 -3.537 6.443 1.00 0.00 O ATOM 1740 CB VAL A 115 0.169 -0.411 5.940 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.336 -0.191 6.033 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.877 0.382 7.024 1.00 0.00 C ATOM 0 H VAL A 115 1.994 -1.527 4.582 1.00 0.00 H new ATOM 0 HA VAL A 115 0.775 -2.105 7.103 1.00 0.00 H new ATOM 0 HB VAL A 115 0.491 -0.064 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.554 0.873 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.833 -0.730 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.699 -0.559 6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.609 1.435 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.575 0.010 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.955 0.271 6.910 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.985 -2.728 4.352 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.068 -3.548 3.823 1.00 0.00 C ATOM 1754 C ASP A 116 -1.810 -5.023 4.122 1.00 0.00 C ATOM 1755 O ASP A 116 -2.742 -5.807 4.311 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.208 -3.331 2.314 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.758 -4.549 1.596 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.920 -4.922 1.864 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -2.026 -5.132 0.770 1.00 0.00 O ATOM 0 H ASP A 116 -0.542 -2.118 3.664 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.998 -3.251 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.865 -2.480 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.234 -3.077 1.896 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.534 -5.391 4.163 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.142 -6.758 4.471 1.00 0.00 C ATOM 1766 C GLU A 117 -0.194 -6.983 5.971 1.00 0.00 C ATOM 1767 O GLU A 117 -0.505 -8.079 6.437 1.00 0.00 O ATOM 1768 CB GLU A 117 1.265 -7.045 3.943 1.00 0.00 C ATOM 1769 CG GLU A 117 1.329 -7.193 2.431 1.00 0.00 C ATOM 1770 CD GLU A 117 1.332 -8.642 1.985 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.010 -9.463 2.638 1.00 0.00 O ATOM 1772 OE2 GLU A 117 0.655 -8.956 0.983 1.00 0.00 O ATOM 0 H GLU A 117 0.247 -4.759 3.986 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.838 -7.440 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.931 -6.238 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.638 -7.959 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.477 -6.681 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.228 -6.701 2.059 1.00 0.00 H new ATOM 1779 N ALA A 118 0.097 -5.927 6.723 1.00 0.00 N ATOM 1780 CA ALA A 118 0.031 -5.993 8.172 1.00 0.00 C ATOM 1781 C ALA A 118 -1.414 -6.108 8.614 1.00 0.00 C ATOM 1782 O ALA A 118 -1.697 -6.562 9.714 1.00 0.00 O ATOM 1783 CB ALA A 118 0.692 -4.783 8.807 1.00 0.00 C ATOM 0 H ALA A 118 0.379 -5.020 6.352 1.00 0.00 H new ATOM 0 HA ALA A 118 0.576 -6.877 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.627 -4.861 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.739 -4.742 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.185 -3.876 8.477 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.330 -5.706 7.736 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.748 -5.839 8.014 1.00 0.00 C ATOM 1791 C VAL A 119 -4.136 -7.300 7.996 1.00 0.00 C ATOM 1792 O VAL A 119 -4.801 -7.789 8.904 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.611 -5.091 7.001 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.058 -5.101 7.459 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.099 -3.674 6.815 1.00 0.00 C ATOM 0 H VAL A 119 -2.112 -5.288 6.832 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.924 -5.403 8.997 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.553 -5.592 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.673 -4.567 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.407 -6.131 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.135 -4.613 8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.724 -3.153 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.133 -3.147 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.071 -3.703 6.453 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.697 -7.995 6.954 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.942 -9.420 6.843 1.00 0.00 C ATOM 1807 C ALA A 120 -3.332 -10.133 8.037 1.00 0.00 C ATOM 1808 O ALA A 120 -3.779 -11.206 8.439 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.353 -9.955 5.547 1.00 0.00 C ATOM 0 H ALA A 120 -3.171 -7.593 6.178 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.017 -9.601 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.544 -11.026 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.815 -9.447 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.278 -9.776 5.535 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.313 -9.500 8.605 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.624 -10.017 9.774 1.00 0.00 C ATOM 1817 C VAL A 121 -2.345 -9.578 11.044 1.00 0.00 C ATOM 1818 O VAL A 121 -2.410 -10.316 12.031 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.165 -9.514 9.793 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.429 -9.582 11.188 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.677 -10.306 8.804 1.00 0.00 C ATOM 0 H VAL A 121 -1.943 -8.612 8.265 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.622 -11.106 9.729 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.164 -8.467 9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.457 -9.220 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.158 -8.961 11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.416 -10.614 11.539 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.704 -9.942 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.660 -11.362 9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.271 -10.183 7.800 1.00 0.00 H new ATOM 1831 N LEU A 122 -2.895 -8.371 11.001 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.647 -7.830 12.120 1.00 0.00 C ATOM 1833 C LEU A 122 -4.923 -8.633 12.299 1.00 0.00 C ATOM 1834 O LEU A 122 -5.388 -8.856 13.415 1.00 0.00 O ATOM 1835 CB LEU A 122 -3.950 -6.345 11.883 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.412 -5.923 12.060 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.623 -5.331 13.443 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.812 -4.926 10.983 1.00 0.00 C ATOM 0 H LEU A 122 -2.832 -7.747 10.197 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.058 -7.906 13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.337 -5.756 12.565 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.638 -6.088 10.871 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.045 -6.805 11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.666 -5.035 13.557 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.372 -6.075 14.199 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.982 -4.458 13.567 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.853 -4.637 11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.178 -4.042 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.692 -5.384 10.001 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.453 -9.101 11.177 1.00 0.00 N ATOM 1851 CA GLN A 123 -6.636 -9.942 11.176 1.00 0.00 C ATOM 1852 C GLN A 123 -6.243 -11.379 11.504 1.00 0.00 C ATOM 1853 O GLN A 123 -7.035 -12.148 12.048 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.325 -9.878 9.810 1.00 0.00 C ATOM 1855 CG GLN A 123 -7.938 -8.522 9.497 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.442 -8.589 9.316 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.940 -8.676 8.193 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.174 -8.549 10.424 1.00 0.00 N ATOM 0 H GLN A 123 -5.076 -8.908 10.249 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.333 -9.583 11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.600 -10.126 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.106 -10.638 9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.704 -7.827 10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.484 -8.123 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.719 -8.477 11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.191 -8.591 10.365 1.00 0.00 H new ATOM 1867 N ALA A 124 -4.999 -11.723 11.172 1.00 0.00 N ATOM 1868 CA ALA A 124 -4.466 -13.056 11.433 1.00 0.00 C ATOM 1869 C ALA A 124 -3.829 -13.137 12.806 1.00 0.00 C ATOM 1870 O ALA A 124 -3.182 -14.128 13.141 1.00 0.00 O ATOM 1871 CB ALA A 124 -3.452 -13.435 10.372 1.00 0.00 C ATOM 0 H ALA A 124 -4.339 -11.091 10.719 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.299 -13.758 11.402 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.063 -14.432 10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.931 -13.429 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.632 -12.717 10.379 1.00 0.00 H new