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 54 THR OG1 : rot -52:sc= -0.69! USER MOD Set 1.2: A 57 MET CE :methyl -177:sc= -1.29 (180deg=-0.553) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 51:sc= 0.514 USER MOD Single : A 66 GLN : amide:sc= -0.15 K(o=-0.15,f=-2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0997 K(o=-0.1,f=-0.7) USER MOD Single : A 69 MET CE :methyl 158:sc= -0.711 (180deg=-1.31) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 81 MET CE :methyl -140:sc= -0.864 (180deg=-2.94!) USER MOD Single : A 82 HIS : no HD1:sc= -15.4! C(o=-15!,f=-17!) USER MOD Single : A 84 THR OG1 : rot 12:sc= 0.544 USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.00745 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -90:sc= -4.19! USER MOD Single : A 92 MET CE :methyl -168:sc= -0.817 (180deg=-1.4) USER MOD Single : A 98 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-3.3!) USER MOD Single : A 104 MET CE :methyl 170:sc= -7.88! (180deg=-8.76!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 174:sc= -4.08! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -155:sc= -0.0569 (180deg=-0.433) USER MOD Single : A 123 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.233 9.000 3.895 1.00 0.00 N ATOM 766 CA LEU A 53 1.516 8.949 4.597 1.00 0.00 C ATOM 767 C LEU A 53 2.393 7.827 4.035 1.00 0.00 C ATOM 768 O LEU A 53 1.876 6.790 3.617 1.00 0.00 O ATOM 769 CB LEU A 53 1.258 8.696 6.081 1.00 0.00 C ATOM 770 CG LEU A 53 2.040 9.552 7.087 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.412 8.957 7.341 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.161 10.993 6.628 1.00 0.00 C ATOM 0 HA LEU A 53 2.035 9.898 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.194 8.843 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.477 7.648 6.288 1.00 0.00 H new ATOM 0 HG LEU A 53 1.479 9.552 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.951 9.578 8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.303 7.950 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.969 8.915 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.721 11.565 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.683 11.028 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.166 11.423 6.514 1.00 0.00 H new ATOM 784 N THR A 54 3.717 8.026 4.022 1.00 0.00 N ATOM 785 CA THR A 54 4.629 6.999 3.510 1.00 0.00 C ATOM 786 C THR A 54 6.085 7.290 3.879 1.00 0.00 C ATOM 787 O THR A 54 6.384 8.262 4.574 1.00 0.00 O ATOM 788 CB THR A 54 4.512 6.869 1.987 1.00 0.00 C ATOM 789 OG1 THR A 54 3.240 7.293 1.530 1.00 0.00 O ATOM 790 CG2 THR A 54 4.724 5.455 1.495 1.00 0.00 C ATOM 0 H THR A 54 4.174 8.875 4.355 1.00 0.00 H new ATOM 0 HA THR A 54 4.334 6.060 3.979 1.00 0.00 H new ATOM 0 HB THR A 54 5.301 7.507 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.540 6.834 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.628 5.429 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.720 5.116 1.780 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.976 4.799 1.941 1.00 0.00 H new ATOM 798 N ALA A 55 6.982 6.438 3.382 1.00 0.00 N ATOM 799 CA ALA A 55 8.415 6.550 3.653 1.00 0.00 C ATOM 800 C ALA A 55 8.968 7.934 3.331 1.00 0.00 C ATOM 801 O ALA A 55 9.589 8.569 4.181 1.00 0.00 O ATOM 802 CB ALA A 55 9.181 5.502 2.864 1.00 0.00 C ATOM 0 H ALA A 55 6.736 5.652 2.781 1.00 0.00 H new ATOM 0 HA ALA A 55 8.547 6.385 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.247 5.595 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.840 4.508 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.007 5.650 1.798 1.00 0.00 H new ATOM 808 N SER A 56 8.791 8.371 2.084 1.00 0.00 N ATOM 809 CA SER A 56 9.313 9.664 1.645 1.00 0.00 C ATOM 810 C SER A 56 8.974 10.758 2.649 1.00 0.00 C ATOM 811 O SER A 56 9.758 11.683 2.872 1.00 0.00 O ATOM 812 CB SER A 56 8.747 10.026 0.271 1.00 0.00 C ATOM 813 OG SER A 56 8.997 8.999 -0.673 1.00 0.00 O ATOM 0 H SER A 56 8.292 7.850 1.363 1.00 0.00 H new ATOM 0 HA SER A 56 10.398 9.583 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.673 10.197 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.193 10.958 -0.075 1.00 0.00 H new ATOM 0 HG SER A 56 8.623 9.255 -1.542 1.00 0.00 H new ATOM 819 N MET A 57 7.809 10.631 3.267 1.00 0.00 N ATOM 820 CA MET A 57 7.358 11.588 4.265 1.00 0.00 C ATOM 821 C MET A 57 8.102 11.381 5.573 1.00 0.00 C ATOM 822 O MET A 57 8.523 12.337 6.223 1.00 0.00 O ATOM 823 CB MET A 57 5.858 11.435 4.466 1.00 0.00 C ATOM 824 CG MET A 57 5.078 11.818 3.225 1.00 0.00 C ATOM 825 SD MET A 57 3.533 10.928 3.057 1.00 0.00 S ATOM 826 CE MET A 57 3.780 10.172 1.454 1.00 0.00 C ATOM 0 H MET A 57 7.155 9.868 3.093 1.00 0.00 H new ATOM 0 HA MET A 57 7.568 12.600 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.631 10.403 4.733 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.539 12.058 5.302 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.872 12.888 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.694 11.632 2.345 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.884 9.620 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.980 10.946 0.713 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.627 9.488 1.501 1.00 0.00 H new ATOM 836 N LEU A 58 8.283 10.119 5.934 1.00 0.00 N ATOM 837 CA LEU A 58 9.035 9.763 7.125 1.00 0.00 C ATOM 838 C LEU A 58 10.428 10.372 7.057 1.00 0.00 C ATOM 839 O LEU A 58 10.974 10.839 8.056 1.00 0.00 O ATOM 840 CB LEU A 58 9.141 8.239 7.223 1.00 0.00 C ATOM 841 CG LEU A 58 7.934 7.502 7.817 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.762 8.443 8.069 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.525 6.370 6.888 1.00 0.00 C ATOM 0 H LEU A 58 7.916 9.321 5.415 1.00 0.00 H new ATOM 0 HA LEU A 58 8.521 10.148 8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.322 7.845 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.017 7.997 7.824 1.00 0.00 H new ATOM 0 HG LEU A 58 8.226 7.092 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.928 7.881 8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.065 9.222 8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.454 8.900 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.667 5.846 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.258 6.778 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.356 5.674 6.775 1.00 0.00 H new ATOM 855 N ALA A 59 10.985 10.370 5.850 1.00 0.00 N ATOM 856 CA ALA A 59 12.310 10.917 5.600 1.00 0.00 C ATOM 857 C ALA A 59 12.311 12.438 5.693 1.00 0.00 C ATOM 858 O ALA A 59 13.349 13.056 5.926 1.00 0.00 O ATOM 859 CB ALA A 59 12.793 10.477 4.229 1.00 0.00 C ATOM 0 H ALA A 59 10.530 9.989 5.020 1.00 0.00 H new ATOM 0 HA ALA A 59 12.986 10.537 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.785 10.888 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.838 9.389 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.103 10.838 3.467 1.00 0.00 H new ATOM 865 N SER A 60 11.143 13.033 5.489 1.00 0.00 N ATOM 866 CA SER A 60 11.004 14.486 5.526 1.00 0.00 C ATOM 867 C SER A 60 11.213 15.027 6.938 1.00 0.00 C ATOM 868 O SER A 60 11.273 16.240 7.142 1.00 0.00 O ATOM 869 CB SER A 60 9.624 14.901 5.011 1.00 0.00 C ATOM 870 OG SER A 60 9.372 14.353 3.728 1.00 0.00 O ATOM 0 H SER A 60 10.276 12.532 5.296 1.00 0.00 H new ATOM 0 HA SER A 60 11.773 14.910 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.856 14.568 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.562 15.988 4.964 1.00 0.00 H new ATOM 0 HG SER A 60 9.542 13.388 3.745 1.00 0.00 H new ATOM 876 N ALA A 61 11.328 14.125 7.908 1.00 0.00 N ATOM 877 CA ALA A 61 11.525 14.520 9.298 1.00 0.00 C ATOM 878 C ALA A 61 12.644 13.708 9.952 1.00 0.00 C ATOM 879 O ALA A 61 12.405 12.971 10.909 1.00 0.00 O ATOM 880 CB ALA A 61 10.227 14.359 10.075 1.00 0.00 C ATOM 0 H ALA A 61 11.288 13.117 7.757 1.00 0.00 H new ATOM 0 HA ALA A 61 11.822 15.569 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.384 14.656 11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.456 14.988 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.909 13.317 10.041 1.00 0.00 H new ATOM 946 N GLN A 66 10.986 10.906 12.403 1.00 0.00 N ATOM 947 CA GLN A 66 11.526 9.865 11.535 1.00 0.00 C ATOM 948 C GLN A 66 11.237 8.483 12.102 1.00 0.00 C ATOM 949 O GLN A 66 11.228 7.490 11.374 1.00 0.00 O ATOM 950 CB GLN A 66 13.031 10.039 11.367 1.00 0.00 C ATOM 951 CG GLN A 66 13.464 10.134 9.916 1.00 0.00 C ATOM 952 CD GLN A 66 14.875 9.624 9.691 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.527 9.136 10.615 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.353 9.734 8.458 1.00 0.00 N ATOM 0 HA GLN A 66 11.042 9.956 10.563 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.347 10.940 11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.542 9.199 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.773 9.563 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.401 11.172 9.590 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.778 10.145 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.296 9.408 8.245 1.00 0.00 H new ATOM 963 N LYS A 67 11.016 8.428 13.408 1.00 0.00 N ATOM 964 CA LYS A 67 10.730 7.168 14.087 1.00 0.00 C ATOM 965 C LYS A 67 9.507 7.300 14.991 1.00 0.00 C ATOM 966 O LYS A 67 9.392 6.601 15.998 1.00 0.00 O ATOM 967 CB LYS A 67 11.939 6.716 14.912 1.00 0.00 C ATOM 968 CG LYS A 67 13.273 7.204 14.367 1.00 0.00 C ATOM 969 CD LYS A 67 14.091 7.902 15.441 1.00 0.00 C ATOM 970 CE LYS A 67 15.580 7.844 15.134 1.00 0.00 C ATOM 971 NZ LYS A 67 16.381 7.480 16.334 1.00 0.00 N ATOM 0 H LYS A 67 11.029 9.243 14.022 1.00 0.00 H new ATOM 0 HA LYS A 67 10.519 6.418 13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.823 7.073 15.935 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.951 5.627 14.954 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.836 6.359 13.970 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.100 7.889 13.537 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.775 8.942 15.522 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.899 7.435 16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.759 7.115 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.911 8.812 14.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.390 7.451 16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.230 8.189 17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.084 6.545 16.679 1.00 0.00 H new ATOM 985 N GLN A 68 8.588 8.191 14.622 1.00 0.00 N ATOM 986 CA GLN A 68 7.386 8.414 15.420 1.00 0.00 C ATOM 987 C GLN A 68 6.124 8.461 14.557 1.00 0.00 C ATOM 988 O GLN A 68 5.143 7.774 14.845 1.00 0.00 O ATOM 989 CB GLN A 68 7.519 9.717 16.216 1.00 0.00 C ATOM 990 CG GLN A 68 6.241 10.128 16.932 1.00 0.00 C ATOM 991 CD GLN A 68 6.417 10.216 18.436 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.162 9.439 19.033 1.00 0.00 O ATOM 993 NE2 GLN A 68 5.729 11.168 19.057 1.00 0.00 N ATOM 0 H GLN A 68 8.653 8.766 13.782 1.00 0.00 H new ATOM 0 HA GLN A 68 7.288 7.571 16.104 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.317 9.604 16.950 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.820 10.517 15.539 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.911 11.095 16.551 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.454 9.409 16.704 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.123 11.790 18.523 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.807 11.276 20.068 1.00 0.00 H new ATOM 1002 N MET A 69 6.139 9.293 13.519 1.00 0.00 N ATOM 1003 CA MET A 69 4.968 9.468 12.659 1.00 0.00 C ATOM 1004 C MET A 69 4.807 8.324 11.658 1.00 0.00 C ATOM 1005 O MET A 69 4.067 8.444 10.682 1.00 0.00 O ATOM 1006 CB MET A 69 5.060 10.801 11.912 1.00 0.00 C ATOM 1007 CG MET A 69 6.019 10.781 10.733 1.00 0.00 C ATOM 1008 SD MET A 69 5.283 11.450 9.230 1.00 0.00 S ATOM 1009 CE MET A 69 6.644 12.421 8.590 1.00 0.00 C ATOM 0 H MET A 69 6.946 9.856 13.252 1.00 0.00 H new ATOM 0 HA MET A 69 4.090 9.465 13.305 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.067 11.076 11.556 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.374 11.577 12.610 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.910 11.357 10.984 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.343 9.756 10.550 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.510 12.573 7.519 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.670 13.387 9.093 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.582 11.894 8.767 1.00 0.00 H new ATOM 1019 N LEU A 70 5.500 7.220 11.902 1.00 0.00 N ATOM 1020 CA LEU A 70 5.429 6.059 11.017 1.00 0.00 C ATOM 1021 C LEU A 70 4.308 5.128 11.446 1.00 0.00 C ATOM 1022 O LEU A 70 3.714 4.429 10.627 1.00 0.00 O ATOM 1023 CB LEU A 70 6.754 5.296 11.023 1.00 0.00 C ATOM 1024 CG LEU A 70 7.748 5.736 12.096 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.855 4.706 12.261 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.321 7.098 11.747 1.00 0.00 C ATOM 0 H LEU A 70 6.118 7.101 12.704 1.00 0.00 H new ATOM 0 HA LEU A 70 5.228 6.418 10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.544 4.235 11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.224 5.407 10.046 1.00 0.00 H new ATOM 0 HG LEU A 70 7.223 5.815 13.048 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.551 5.040 13.030 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.422 3.750 12.555 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.387 4.589 11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.029 7.403 12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.833 7.042 10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.514 7.828 11.686 1.00 0.00 H new ATOM 1038 N GLY A 71 4.053 5.093 12.742 1.00 0.00 N ATOM 1039 CA GLY A 71 2.994 4.260 13.258 1.00 0.00 C ATOM 1040 C GLY A 71 2.112 5.018 14.225 1.00 0.00 C ATOM 1041 O GLY A 71 1.260 4.431 14.894 1.00 0.00 O ATOM 0 H GLY A 71 4.562 5.628 13.446 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.390 3.884 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.424 3.393 13.759 1.00 0.00 H new ATOM 1045 N GLU A 72 2.302 6.337 14.280 1.00 0.00 N ATOM 1046 CA GLU A 72 1.516 7.182 15.171 1.00 0.00 C ATOM 1047 C GLU A 72 0.883 8.355 14.423 1.00 0.00 C ATOM 1048 O GLU A 72 0.073 9.092 14.987 1.00 0.00 O ATOM 1049 CB GLU A 72 2.388 7.703 16.315 1.00 0.00 C ATOM 1050 CG GLU A 72 2.813 6.621 17.295 1.00 0.00 C ATOM 1051 CD GLU A 72 2.432 6.948 18.726 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.733 8.073 19.179 1.00 0.00 O ATOM 1053 OE2 GLU A 72 1.833 6.079 19.394 1.00 0.00 O ATOM 0 H GLU A 72 2.991 6.839 13.720 1.00 0.00 H new ATOM 0 HA GLU A 72 0.712 6.570 15.579 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.278 8.174 15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.842 8.477 16.855 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.354 5.675 17.008 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.892 6.483 17.233 1.00 0.00 H new ATOM 1060 N ARG A 73 1.229 8.509 13.148 1.00 0.00 N ATOM 1061 CA ARG A 73 0.678 9.585 12.330 1.00 0.00 C ATOM 1062 C ARG A 73 0.070 9.027 11.052 1.00 0.00 C ATOM 1063 O ARG A 73 -0.724 9.691 10.387 1.00 0.00 O ATOM 1064 CB ARG A 73 1.761 10.607 11.991 1.00 0.00 C ATOM 1065 CG ARG A 73 1.255 12.039 11.943 1.00 0.00 C ATOM 1066 CD ARG A 73 0.859 12.446 10.533 1.00 0.00 C ATOM 1067 NE ARG A 73 0.302 13.795 10.489 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.827 14.108 9.860 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -1.517 13.172 9.222 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.267 15.359 9.868 1.00 0.00 N ATOM 0 H ARG A 73 1.888 7.903 12.659 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.106 10.081 12.902 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.558 10.537 12.731 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.199 10.353 11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.397 12.145 12.607 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.029 12.712 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.731 12.393 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.127 11.739 10.144 1.00 0.00 H new ATOM 0 HE ARG A 73 0.808 14.540 10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.182 12.209 9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.383 13.416 8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.739 16.082 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.133 15.598 9.385 1.00 0.00 H new ATOM 1084 N LEU A 74 0.428 7.788 10.733 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.090 7.117 9.553 1.00 0.00 C ATOM 1086 C LEU A 74 -1.501 6.613 9.788 1.00 0.00 C ATOM 1087 O LEU A 74 -2.209 6.249 8.850 1.00 0.00 O ATOM 1088 CB LEU A 74 0.801 5.937 9.210 1.00 0.00 C ATOM 1089 CG LEU A 74 1.603 6.102 7.939 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.987 5.515 8.115 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.865 5.470 6.770 1.00 0.00 C ATOM 0 H LEU A 74 1.080 7.227 11.282 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.105 7.834 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.489 5.765 10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.181 5.045 9.120 1.00 0.00 H new ATOM 0 HG LEU A 74 1.721 7.163 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.555 5.640 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.499 6.028 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.905 4.454 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.451 5.594 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.718 4.408 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.104 5.954 6.647 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.876 6.545 11.054 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.186 6.030 11.447 1.00 0.00 C ATOM 1105 C PHE A 75 -4.321 6.676 10.641 1.00 0.00 C ATOM 1106 O PHE A 75 -5.130 5.969 10.038 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.414 6.229 12.950 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.771 5.782 13.423 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.330 4.601 12.957 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.483 6.541 14.337 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.578 4.193 13.389 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.729 6.134 14.776 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.277 4.959 14.301 1.00 0.00 C ATOM 0 H PHE A 75 -1.291 6.841 11.835 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.196 4.962 11.227 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.649 5.681 13.500 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.285 7.284 13.191 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.785 3.994 12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.060 7.462 14.711 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.006 3.275 13.013 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.273 6.734 15.490 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.251 4.640 14.642 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.407 8.023 10.609 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.469 8.721 9.873 1.00 0.00 C ATOM 1125 C PRO A 76 -5.369 8.511 8.364 1.00 0.00 C ATOM 1126 O PRO A 76 -6.248 8.935 7.612 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.248 10.202 10.217 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.361 10.199 11.415 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.510 8.970 11.291 1.00 0.00 C ATOM 0 HA PRO A 76 -6.455 8.350 10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.785 10.734 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.193 10.702 10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.746 11.098 11.448 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.946 10.178 12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.606 9.160 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.192 8.597 12.265 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.295 7.862 7.925 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.083 7.616 6.503 1.00 0.00 C ATOM 1139 C LEU A 77 -4.506 6.204 6.107 1.00 0.00 C ATOM 1140 O LEU A 77 -5.061 6.002 5.026 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.615 7.844 6.135 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.150 9.304 6.139 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.242 10.235 5.627 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.714 9.702 7.535 1.00 0.00 C ATOM 0 H LEU A 77 -3.560 7.498 8.531 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.706 8.321 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.993 7.282 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.439 7.428 5.143 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.300 9.396 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.880 11.263 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.507 9.959 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.121 10.150 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.385 10.741 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.551 9.590 8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.892 9.062 7.856 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.235 5.228 6.972 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.601 3.845 6.680 1.00 0.00 C ATOM 1158 C ILE A 78 -6.101 3.711 6.489 1.00 0.00 C ATOM 1159 O ILE A 78 -6.560 2.965 5.628 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.189 2.872 7.791 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.839 3.263 8.394 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.159 1.450 7.244 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.670 3.051 7.463 1.00 0.00 C ATOM 0 H ILE A 78 -3.770 5.367 7.869 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.065 3.588 5.766 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.926 2.922 8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.873 4.313 8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.677 2.684 9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.866 0.761 8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.149 1.180 6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.440 1.390 6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.748 3.351 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.609 1.997 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.808 3.651 6.564 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.857 4.414 7.327 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.315 4.378 7.268 1.00 0.00 C ATOM 1177 C GLN A 79 -8.804 4.562 5.834 1.00 0.00 C ATOM 1178 O GLN A 79 -9.926 4.189 5.490 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.899 5.475 8.158 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.226 5.009 9.568 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.868 6.095 10.409 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.730 7.285 10.120 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.575 5.691 11.458 1.00 0.00 N ATOM 0 H GLN A 79 -6.482 5.018 8.058 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.650 3.404 7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.190 6.301 8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.806 5.863 7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.896 4.151 9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.312 4.670 10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.663 4.695 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.030 6.376 12.061 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.946 5.145 5.006 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.254 5.371 3.599 1.00 0.00 C ATOM 1194 C ALA A 80 -7.998 4.111 2.778 1.00 0.00 C ATOM 1195 O ALA A 80 -8.800 3.745 1.918 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.426 6.527 3.059 1.00 0.00 C ATOM 0 H ALA A 80 -7.022 5.473 5.288 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.311 5.624 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.665 6.686 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.653 7.432 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.366 6.293 3.159 1.00 0.00 H new ATOM 1202 N MET A 81 -6.868 3.457 3.040 1.00 0.00 N ATOM 1203 CA MET A 81 -6.511 2.227 2.338 1.00 0.00 C ATOM 1204 C MET A 81 -7.479 1.112 2.705 1.00 0.00 C ATOM 1205 O MET A 81 -7.915 0.337 1.853 1.00 0.00 O ATOM 1206 CB MET A 81 -5.085 1.795 2.705 1.00 0.00 C ATOM 1207 CG MET A 81 -4.130 2.955 2.924 1.00 0.00 C ATOM 1208 SD MET A 81 -2.568 2.741 2.054 1.00 0.00 S ATOM 1209 CE MET A 81 -1.522 2.167 3.388 1.00 0.00 C ATOM 0 H MET A 81 -6.184 3.759 3.734 1.00 0.00 H new ATOM 0 HA MET A 81 -6.565 2.419 1.266 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.121 1.190 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.693 1.159 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.604 3.878 2.591 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.935 3.064 3.991 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.538 2.627 3.302 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.968 2.441 4.344 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.422 1.083 3.331 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.784 1.034 3.992 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.655 0.000 4.526 1.00 0.00 C ATOM 1221 C HIS A 82 -9.860 0.625 5.222 1.00 0.00 C ATOM 1222 O HIS A 82 -9.735 1.675 5.844 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.862 -0.854 5.515 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.476 -1.161 5.049 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.425 -1.198 5.923 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.026 -1.444 3.803 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.361 -1.469 5.195 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.679 -1.648 3.908 1.00 0.00 N ATOM 0 H HIS A 82 -7.434 1.686 4.694 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.019 -0.624 3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.810 -0.335 6.472 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.396 -1.789 5.687 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.618 -1.498 2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.357 -1.538 5.588 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.039 -1.890 3.151 1.00 0.00 H new ATOM 1236 N PRO A 83 -11.045 -0.008 5.120 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.273 0.506 5.744 1.00 0.00 C ATOM 1238 C PRO A 83 -12.109 0.729 7.245 1.00 0.00 C ATOM 1239 O PRO A 83 -12.530 -0.099 8.055 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.303 -0.596 5.474 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.782 -1.319 4.281 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.285 -1.265 4.387 1.00 0.00 C ATOM 0 HA PRO A 83 -12.558 1.478 5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.401 -1.264 6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.290 -0.176 5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.135 -2.350 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.125 -0.849 3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.888 -2.126 4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.812 -1.255 3.405 1.00 0.00 H new ATOM 1250 N THR A 84 -11.491 1.855 7.603 1.00 0.00 N ATOM 1251 CA THR A 84 -11.242 2.201 9.000 1.00 0.00 C ATOM 1252 C THR A 84 -10.743 0.990 9.789 1.00 0.00 C ATOM 1253 O THR A 84 -11.029 0.851 10.979 1.00 0.00 O ATOM 1254 CB THR A 84 -12.509 2.763 9.647 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.581 1.842 9.539 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.963 4.070 9.035 1.00 0.00 C ATOM 0 H THR A 84 -11.151 2.548 6.936 1.00 0.00 H new ATOM 0 HA THR A 84 -10.465 2.965 9.020 1.00 0.00 H new ATOM 0 HB THR A 84 -12.246 2.940 10.690 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.237 0.972 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.866 4.414 9.539 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.177 4.817 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.173 3.922 7.976 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.000 0.119 9.114 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.470 -1.088 9.741 1.00 0.00 C ATOM 1266 C LEU A 85 -8.116 -0.821 10.387 1.00 0.00 C ATOM 1267 O LEU A 85 -7.457 -1.739 10.873 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.336 -2.200 8.702 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.411 -3.286 8.775 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.741 -3.806 7.385 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.957 -4.422 9.679 1.00 0.00 C ATOM 0 H LEU A 85 -9.751 0.226 8.131 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.166 -1.399 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.360 -1.753 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.359 -2.669 8.818 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.315 -2.849 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.507 -4.578 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.109 -2.986 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.844 -4.227 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.733 -5.186 9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.039 -4.857 9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.773 -4.037 10.682 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.718 0.446 10.406 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.437 0.845 10.982 1.00 0.00 C ATOM 1285 C ALA A 86 -6.441 0.741 12.508 1.00 0.00 C ATOM 1286 O ALA A 86 -5.613 1.357 13.178 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.096 2.264 10.554 1.00 0.00 C ATOM 0 H ALA A 86 -8.266 1.218 10.028 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.677 0.159 10.609 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.139 2.555 10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.031 2.310 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.873 2.945 10.900 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.365 -0.050 13.048 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.454 -0.216 14.489 1.00 0.00 C ATOM 1295 C GLY A 87 -6.141 -0.651 15.114 1.00 0.00 C ATOM 1296 O GLY A 87 -5.917 -0.444 16.306 1.00 0.00 O ATOM 0 H GLY A 87 -8.054 -0.579 12.513 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.771 0.724 14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.222 -0.954 14.718 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.273 -1.256 14.308 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.976 -1.715 14.791 1.00 0.00 C ATOM 1302 C LYS A 88 -3.040 -2.041 13.633 1.00 0.00 C ATOM 1303 O LYS A 88 -2.172 -2.902 13.745 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.144 -2.948 15.687 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.855 -3.401 16.361 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.249 -2.298 17.212 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.775 -2.102 16.896 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.043 -1.462 18.024 1.00 0.00 N ATOM 0 H LYS A 88 -5.445 -1.439 13.319 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.534 -0.907 15.373 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.886 -2.729 16.455 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.538 -3.769 15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.057 -4.272 16.984 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.137 -3.711 15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.787 -1.366 17.040 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.367 -2.544 18.267 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.321 -3.067 16.670 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.675 -1.486 16.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.778 -0.941 17.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.677 -0.803 18.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.282 -2.194 18.687 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.224 -1.370 12.507 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.362 -1.605 11.363 1.00 0.00 C ATOM 1324 C ILE A 89 -1.044 -0.853 11.514 1.00 0.00 C ATOM 1325 O ILE A 89 -0.084 -1.386 12.065 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.039 -1.221 10.041 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.364 -1.977 9.907 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.116 -1.537 8.877 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.265 -1.448 8.816 1.00 0.00 C ATOM 0 H ILE A 89 -3.951 -0.669 12.363 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.160 -2.676 11.333 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.246 -0.151 10.032 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.153 -3.028 9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.895 -1.930 10.858 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.603 -1.262 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.190 -0.973 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.892 -2.604 8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.182 -2.036 8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.509 -0.405 9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.755 -1.521 7.856 1.00 0.00 H new ATOM 1341 N THR A 90 -1.015 0.391 11.043 1.00 0.00 N ATOM 1342 CA THR A 90 0.184 1.220 11.123 1.00 0.00 C ATOM 1343 C THR A 90 0.745 1.246 12.540 1.00 0.00 C ATOM 1344 O THR A 90 1.958 1.194 12.734 1.00 0.00 O ATOM 1345 CB THR A 90 -0.142 2.638 10.644 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.503 2.902 9.411 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.252 3.737 11.609 1.00 0.00 C ATOM 0 H THR A 90 -1.812 0.848 10.600 1.00 0.00 H new ATOM 0 HA THR A 90 0.949 0.789 10.477 1.00 0.00 H new ATOM 0 HB THR A 90 -1.228 2.654 10.551 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.388 3.287 9.581 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.017 4.705 11.187 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.271 3.596 12.555 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.328 3.702 11.781 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.141 1.348 13.525 1.00 0.00 N ATOM 1356 CA GLY A 91 0.303 1.347 14.903 1.00 0.00 C ATOM 1357 C GLY A 91 1.125 0.115 15.208 1.00 0.00 C ATOM 1358 O GLY A 91 2.055 0.155 16.015 1.00 0.00 O ATOM 0 H GLY A 91 -1.149 1.431 13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.895 2.241 15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.561 1.386 15.567 1.00 0.00 H new ATOM 1362 N MET A 92 0.801 -0.976 14.524 1.00 0.00 N ATOM 1363 CA MET A 92 1.527 -2.228 14.695 1.00 0.00 C ATOM 1364 C MET A 92 2.779 -2.226 13.838 1.00 0.00 C ATOM 1365 O MET A 92 3.750 -2.912 14.143 1.00 0.00 O ATOM 1366 CB MET A 92 0.626 -3.421 14.348 1.00 0.00 C ATOM 1367 CG MET A 92 1.297 -4.509 13.532 1.00 0.00 C ATOM 1368 SD MET A 92 0.619 -6.143 13.866 1.00 0.00 S ATOM 1369 CE MET A 92 -0.584 -6.265 12.549 1.00 0.00 C ATOM 0 H MET A 92 0.040 -1.019 13.846 1.00 0.00 H new ATOM 0 HA MET A 92 1.826 -2.324 15.739 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.254 -3.859 15.274 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.241 -3.056 13.797 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.186 -4.283 12.471 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.366 -4.512 13.747 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.239 -7.117 12.732 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.178 -5.352 12.513 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.070 -6.401 11.598 1.00 0.00 H new ATOM 1379 N LEU A 93 2.761 -1.412 12.792 1.00 0.00 N ATOM 1380 CA LEU A 93 3.901 -1.290 11.900 1.00 0.00 C ATOM 1381 C LEU A 93 5.118 -0.774 12.653 1.00 0.00 C ATOM 1382 O LEU A 93 6.224 -0.729 12.117 1.00 0.00 O ATOM 1383 CB LEU A 93 3.560 -0.362 10.745 1.00 0.00 C ATOM 1384 CG LEU A 93 2.929 -1.048 9.530 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.943 -1.957 8.852 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.692 -1.832 9.941 1.00 0.00 C ATOM 0 H LEU A 93 1.965 -0.825 12.541 1.00 0.00 H new ATOM 0 HA LEU A 93 4.139 -2.276 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.876 0.407 11.105 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.470 0.146 10.425 1.00 0.00 H new ATOM 0 HG LEU A 93 2.623 -0.282 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.481 -2.438 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.798 -1.367 8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.277 -2.718 9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.258 -2.312 9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.969 -2.592 10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.962 -1.154 10.382 1.00 0.00 H new ATOM 1398 N LEU A 94 4.902 -0.386 13.903 1.00 0.00 N ATOM 1399 CA LEU A 94 5.985 0.049 14.763 1.00 0.00 C ATOM 1400 C LEU A 94 6.259 -1.036 15.793 1.00 0.00 C ATOM 1401 O LEU A 94 6.722 -0.764 16.902 1.00 0.00 O ATOM 1402 CB LEU A 94 5.627 1.369 15.447 1.00 0.00 C ATOM 1403 CG LEU A 94 6.266 2.616 14.827 1.00 0.00 C ATOM 1404 CD1 LEU A 94 5.964 2.694 13.336 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.781 3.870 15.536 1.00 0.00 C ATOM 0 H LEU A 94 3.981 -0.365 14.342 1.00 0.00 H new ATOM 0 HA LEU A 94 6.882 0.217 14.168 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.544 1.488 15.429 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.924 1.310 16.494 1.00 0.00 H new ATOM 0 HG LEU A 94 7.346 2.544 14.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.428 3.587 12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.362 1.810 12.837 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.885 2.740 13.185 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.245 4.746 15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.697 3.944 15.444 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.053 3.820 16.590 1.00 0.00 H new ATOM 1417 N GLU A 95 5.926 -2.270 15.415 1.00 0.00 N ATOM 1418 CA GLU A 95 6.095 -3.421 16.294 1.00 0.00 C ATOM 1419 C GLU A 95 5.943 -4.736 15.525 1.00 0.00 C ATOM 1420 O GLU A 95 6.056 -5.813 16.110 1.00 0.00 O ATOM 1421 CB GLU A 95 5.077 -3.366 17.438 1.00 0.00 C ATOM 1422 CG GLU A 95 3.693 -3.870 17.055 1.00 0.00 C ATOM 1423 CD GLU A 95 2.813 -4.138 18.260 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.861 -3.340 19.219 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.077 -5.147 18.245 1.00 0.00 O ATOM 0 H GLU A 95 5.536 -2.496 14.500 1.00 0.00 H new ATOM 0 HA GLU A 95 7.104 -3.382 16.705 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.451 -3.959 18.273 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.994 -2.337 17.789 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.208 -3.135 16.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.793 -4.786 16.472 1.00 0.00 H new ATOM 1432 N ILE A 96 5.727 -4.645 14.211 1.00 0.00 N ATOM 1433 CA ILE A 96 5.560 -5.842 13.378 1.00 0.00 C ATOM 1434 C ILE A 96 6.821 -6.707 13.372 1.00 0.00 C ATOM 1435 O ILE A 96 7.609 -6.696 14.317 1.00 0.00 O ATOM 1436 CB ILE A 96 5.233 -5.496 11.904 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.414 -4.792 11.227 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.971 -4.661 11.788 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.818 -3.488 11.868 1.00 0.00 C ATOM 0 H ILE A 96 5.664 -3.763 13.702 1.00 0.00 H new ATOM 0 HA ILE A 96 4.726 -6.385 13.823 1.00 0.00 H new ATOM 0 HB ILE A 96 5.053 -6.437 11.385 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.272 -5.465 11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.159 -4.606 10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.776 -4.440 10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.129 -5.214 12.204 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.100 -3.729 12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.660 -3.061 11.324 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.978 -2.794 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.108 -3.666 12.904 1.00 0.00 H new ATOM 1451 N ASP A 97 7.015 -7.429 12.267 1.00 0.00 N ATOM 1452 CA ASP A 97 8.185 -8.273 12.075 1.00 0.00 C ATOM 1453 C ASP A 97 9.471 -7.452 12.153 1.00 0.00 C ATOM 1454 O ASP A 97 10.571 -7.998 12.059 1.00 0.00 O ATOM 1455 CB ASP A 97 8.089 -8.962 10.713 1.00 0.00 C ATOM 1456 CG ASP A 97 8.713 -10.344 10.713 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.084 -11.278 11.254 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.828 -10.494 10.172 1.00 0.00 O ATOM 0 H ASP A 97 6.363 -7.442 11.483 1.00 0.00 H new ATOM 0 HA ASP A 97 8.213 -9.020 12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.041 -9.041 10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.582 -8.345 9.962 1.00 0.00 H new ATOM 1463 N ASN A 98 9.308 -6.136 12.302 1.00 0.00 N ATOM 1464 CA ASN A 98 10.423 -5.197 12.405 1.00 0.00 C ATOM 1465 C ASN A 98 11.018 -4.883 11.037 1.00 0.00 C ATOM 1466 O ASN A 98 11.551 -3.794 10.818 1.00 0.00 O ATOM 1467 CB ASN A 98 11.510 -5.720 13.349 1.00 0.00 C ATOM 1468 CG ASN A 98 11.102 -5.631 14.807 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.378 -4.639 15.481 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.445 -6.673 15.302 1.00 0.00 N ATOM 0 H ASN A 98 8.392 -5.690 12.355 1.00 0.00 H new ATOM 0 HA ASN A 98 10.023 -4.273 12.822 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.735 -6.757 13.100 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.426 -5.149 13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.148 -6.672 16.278 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.237 -7.475 14.707 1.00 0.00 H new ATOM 1477 N SER A 99 10.916 -5.832 10.117 1.00 0.00 N ATOM 1478 CA SER A 99 11.414 -5.629 8.762 1.00 0.00 C ATOM 1479 C SER A 99 10.464 -4.725 7.992 1.00 0.00 C ATOM 1480 O SER A 99 10.880 -3.956 7.128 1.00 0.00 O ATOM 1481 CB SER A 99 11.577 -6.965 8.040 1.00 0.00 C ATOM 1482 OG SER A 99 10.792 -7.012 6.861 1.00 0.00 O ATOM 0 H SER A 99 10.495 -6.746 10.282 1.00 0.00 H new ATOM 0 HA SER A 99 12.392 -5.152 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.626 -7.119 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.287 -7.778 8.705 1.00 0.00 H new ATOM 0 HG SER A 99 10.917 -7.878 6.419 1.00 0.00 H new ATOM 1488 N GLU A 100 9.183 -4.813 8.335 1.00 0.00 N ATOM 1489 CA GLU A 100 8.164 -3.978 7.719 1.00 0.00 C ATOM 1490 C GLU A 100 8.248 -2.565 8.272 1.00 0.00 C ATOM 1491 O GLU A 100 7.835 -1.611 7.619 1.00 0.00 O ATOM 1492 CB GLU A 100 6.780 -4.572 7.955 1.00 0.00 C ATOM 1493 CG GLU A 100 6.779 -6.090 7.975 1.00 0.00 C ATOM 1494 CD GLU A 100 5.686 -6.689 7.113 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.715 -5.968 6.797 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.798 -7.880 6.754 1.00 0.00 O ATOM 0 H GLU A 100 8.827 -5.458 9.040 1.00 0.00 H new ATOM 0 HA GLU A 100 8.337 -3.939 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.389 -4.202 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.104 -4.224 7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.747 -6.454 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.656 -6.435 9.002 1.00 0.00 H new ATOM 1503 N LEU A 101 8.817 -2.442 9.467 1.00 0.00 N ATOM 1504 CA LEU A 101 9.022 -1.141 10.090 1.00 0.00 C ATOM 1505 C LEU A 101 10.186 -0.422 9.417 1.00 0.00 C ATOM 1506 O LEU A 101 10.264 0.804 9.425 1.00 0.00 O ATOM 1507 CB LEU A 101 9.297 -1.306 11.590 1.00 0.00 C ATOM 1508 CG LEU A 101 10.007 -0.128 12.265 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.005 0.745 13.004 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.084 -0.630 13.214 1.00 0.00 C ATOM 0 H LEU A 101 9.145 -3.231 10.024 1.00 0.00 H new ATOM 0 HA LEU A 101 8.118 -0.545 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.348 -1.475 12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.900 -2.202 11.734 1.00 0.00 H new ATOM 0 HG LEU A 101 10.484 0.477 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.527 1.577 13.477 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.270 1.132 12.299 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.499 0.153 13.767 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.579 0.219 13.685 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.629 -1.257 13.981 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.817 -1.213 12.657 1.00 0.00 H new ATOM 1522 N LEU A 102 11.089 -1.206 8.839 1.00 0.00 N ATOM 1523 CA LEU A 102 12.257 -0.666 8.151 1.00 0.00 C ATOM 1524 C LEU A 102 11.938 -0.354 6.705 1.00 0.00 C ATOM 1525 O LEU A 102 12.242 0.732 6.213 1.00 0.00 O ATOM 1526 CB LEU A 102 13.411 -1.667 8.214 1.00 0.00 C ATOM 1527 CG LEU A 102 14.525 -1.315 9.202 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.073 -1.574 10.631 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.785 -2.106 8.887 1.00 0.00 C ATOM 0 H LEU A 102 11.034 -2.225 8.833 1.00 0.00 H new ATOM 0 HA LEU A 102 12.547 0.258 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.009 -2.645 8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.846 -1.759 7.219 1.00 0.00 H new ATOM 0 HG LEU A 102 14.752 -0.254 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.878 -1.318 11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.198 -0.963 10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.818 -2.627 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.567 -1.843 9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.572 -3.173 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.120 -1.870 7.877 1.00 0.00 H new ATOM 1541 N HIS A 103 11.338 -1.314 6.023 1.00 0.00 N ATOM 1542 CA HIS A 103 10.992 -1.135 4.629 1.00 0.00 C ATOM 1543 C HIS A 103 10.050 0.047 4.456 1.00 0.00 C ATOM 1544 O HIS A 103 10.264 0.886 3.587 1.00 0.00 O ATOM 1545 CB HIS A 103 10.352 -2.409 4.073 1.00 0.00 C ATOM 1546 CG HIS A 103 10.687 -2.673 2.638 1.00 0.00 C ATOM 1547 ND1 HIS A 103 10.935 -1.646 1.757 1.00 0.00 N ATOM 1548 CD2 HIS A 103 10.804 -3.855 1.984 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.194 -2.220 0.595 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.126 -3.556 0.685 1.00 0.00 N ATOM 0 H HIS A 103 11.082 -2.221 6.413 1.00 0.00 H new ATOM 0 HA HIS A 103 11.906 -0.930 4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.674 -3.259 4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.269 -2.337 4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.670 -4.841 2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.430 -1.682 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.284 -4.224 -0.070 1.00 0.00 H new ATOM 1558 N MET A 104 9.015 0.109 5.294 1.00 0.00 N ATOM 1559 CA MET A 104 8.012 1.167 5.215 1.00 0.00 C ATOM 1560 C MET A 104 8.643 2.559 5.236 1.00 0.00 C ATOM 1561 O MET A 104 8.140 3.476 4.591 1.00 0.00 O ATOM 1562 CB MET A 104 7.019 1.034 6.370 1.00 0.00 C ATOM 1563 CG MET A 104 7.658 1.255 7.725 1.00 0.00 C ATOM 1564 SD MET A 104 6.623 2.225 8.834 1.00 0.00 S ATOM 1565 CE MET A 104 5.032 1.465 8.536 1.00 0.00 C ATOM 0 H MET A 104 8.850 -0.567 6.040 1.00 0.00 H new ATOM 0 HA MET A 104 7.492 1.053 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.212 1.753 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.569 0.041 6.343 1.00 0.00 H new ATOM 0 HG2 MET A 104 7.869 0.289 8.184 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.614 1.761 7.593 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.313 1.826 9.271 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.688 1.722 7.534 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.124 0.382 8.621 1.00 0.00 H new ATOM 1575 N LEU A 105 9.715 2.727 6.010 1.00 0.00 N ATOM 1576 CA LEU A 105 10.402 4.014 6.084 1.00 0.00 C ATOM 1577 C LEU A 105 11.429 4.118 4.980 1.00 0.00 C ATOM 1578 O LEU A 105 12.076 5.151 4.802 1.00 0.00 O ATOM 1579 CB LEU A 105 11.110 4.185 7.430 1.00 0.00 C ATOM 1580 CG LEU A 105 10.372 3.609 8.631 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.267 3.617 9.863 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.101 4.389 8.888 1.00 0.00 C ATOM 0 H LEU A 105 10.123 1.994 6.590 1.00 0.00 H new ATOM 0 HA LEU A 105 9.651 4.797 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.092 3.715 7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.276 5.248 7.602 1.00 0.00 H new ATOM 0 HG LEU A 105 10.105 2.575 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.722 3.202 10.711 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.155 3.014 9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.565 4.641 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.583 3.967 9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.348 5.432 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.455 4.331 8.012 1.00 0.00 H new ATOM 1594 N GLU A 106 11.590 3.026 4.257 1.00 0.00 N ATOM 1595 CA GLU A 106 12.609 2.940 3.237 1.00 0.00 C ATOM 1596 C GLU A 106 12.035 2.910 1.820 1.00 0.00 C ATOM 1597 O GLU A 106 12.781 2.999 0.846 1.00 0.00 O ATOM 1598 CB GLU A 106 13.451 1.688 3.492 1.00 0.00 C ATOM 1599 CG GLU A 106 14.473 1.870 4.593 1.00 0.00 C ATOM 1600 CD GLU A 106 15.398 3.047 4.351 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.165 3.007 3.366 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.359 4.007 5.149 1.00 0.00 O ATOM 0 H GLU A 106 11.023 2.184 4.361 1.00 0.00 H new ATOM 0 HA GLU A 106 13.222 3.839 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.790 0.861 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.964 1.410 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.956 2.010 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.067 0.961 4.685 1.00 0.00 H new ATOM 1609 N SER A 107 10.715 2.798 1.700 1.00 0.00 N ATOM 1610 CA SER A 107 10.083 2.741 0.380 1.00 0.00 C ATOM 1611 C SER A 107 8.710 3.415 0.370 1.00 0.00 C ATOM 1612 O SER A 107 7.938 3.291 1.320 1.00 0.00 O ATOM 1613 CB SER A 107 9.947 1.287 -0.068 1.00 0.00 C ATOM 1614 OG SER A 107 10.097 1.165 -1.472 1.00 0.00 O ATOM 0 H SER A 107 10.068 2.745 2.487 1.00 0.00 H new ATOM 0 HA SER A 107 10.723 3.286 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.698 0.678 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.972 0.902 0.231 1.00 0.00 H new ATOM 0 HG SER A 107 10.007 0.224 -1.730 1.00 0.00 H new ATOM 1620 N PRO A 108 8.375 4.121 -0.729 1.00 0.00 N ATOM 1621 CA PRO A 108 7.086 4.806 -0.874 1.00 0.00 C ATOM 1622 C PRO A 108 5.942 3.823 -1.115 1.00 0.00 C ATOM 1623 O PRO A 108 4.785 4.220 -1.252 1.00 0.00 O ATOM 1624 CB PRO A 108 7.279 5.711 -2.102 1.00 0.00 C ATOM 1625 CG PRO A 108 8.734 5.638 -2.440 1.00 0.00 C ATOM 1626 CD PRO A 108 9.221 4.321 -1.912 1.00 0.00 C ATOM 0 HA PRO A 108 6.817 5.355 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.666 5.372 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.980 6.736 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.887 5.706 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.281 6.465 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.096 3.520 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.279 4.354 -1.653 1.00 0.00 H new ATOM 1634 N GLU A 109 6.280 2.540 -1.167 1.00 0.00 N ATOM 1635 CA GLU A 109 5.296 1.487 -1.391 1.00 0.00 C ATOM 1636 C GLU A 109 5.352 0.459 -0.276 1.00 0.00 C ATOM 1637 O GLU A 109 4.405 -0.293 -0.069 1.00 0.00 O ATOM 1638 CB GLU A 109 5.556 0.804 -2.732 1.00 0.00 C ATOM 1639 CG GLU A 109 5.315 1.707 -3.930 1.00 0.00 C ATOM 1640 CD GLU A 109 6.148 1.313 -5.135 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.983 0.393 -5.006 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.967 1.927 -6.208 1.00 0.00 O ATOM 0 H GLU A 109 7.236 2.202 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 109 4.305 1.940 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.586 0.449 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.915 -0.074 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.259 1.676 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.544 2.737 -3.656 1.00 0.00 H new ATOM 1649 N SER A 110 6.464 0.435 0.444 1.00 0.00 N ATOM 1650 CA SER A 110 6.621 -0.479 1.565 1.00 0.00 C ATOM 1651 C SER A 110 5.614 -0.151 2.635 1.00 0.00 C ATOM 1652 O SER A 110 4.867 -1.005 3.084 1.00 0.00 O ATOM 1653 CB SER A 110 8.016 -0.359 2.152 1.00 0.00 C ATOM 1654 OG SER A 110 8.393 1.000 2.225 1.00 0.00 O ATOM 0 H SER A 110 7.269 1.037 0.272 1.00 0.00 H new ATOM 0 HA SER A 110 6.465 -1.496 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.041 -0.806 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.727 -0.910 1.537 1.00 0.00 H new ATOM 0 HG SER A 110 9.251 1.077 2.692 1.00 0.00 H new ATOM 1660 N LEU A 111 5.571 1.114 2.994 1.00 0.00 N ATOM 1661 CA LEU A 111 4.635 1.600 3.980 1.00 0.00 C ATOM 1662 C LEU A 111 3.234 1.053 3.691 1.00 0.00 C ATOM 1663 O LEU A 111 2.460 0.783 4.604 1.00 0.00 O ATOM 1664 CB LEU A 111 4.662 3.131 3.927 1.00 0.00 C ATOM 1665 CG LEU A 111 4.161 3.880 5.164 1.00 0.00 C ATOM 1666 CD1 LEU A 111 2.910 3.235 5.729 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.253 3.956 6.214 1.00 0.00 C ATOM 0 H LEU A 111 6.184 1.833 2.610 1.00 0.00 H new ATOM 0 HA LEU A 111 4.910 1.263 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.688 3.445 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.065 3.451 3.073 1.00 0.00 H new ATOM 0 HG LEU A 111 3.900 4.895 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.579 3.790 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.123 3.245 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.128 2.205 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.881 4.492 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.549 2.948 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.115 4.483 5.805 1.00 0.00 H new ATOM 1679 N ARG A 112 2.955 0.798 2.420 1.00 0.00 N ATOM 1680 CA ARG A 112 1.657 0.278 2.015 1.00 0.00 C ATOM 1681 C ARG A 112 1.646 -1.240 1.955 1.00 0.00 C ATOM 1682 O ARG A 112 0.906 -1.891 2.690 1.00 0.00 O ATOM 1683 CB ARG A 112 1.277 0.866 0.670 1.00 0.00 C ATOM 1684 CG ARG A 112 0.899 2.316 0.799 1.00 0.00 C ATOM 1685 CD ARG A 112 0.943 3.037 -0.537 1.00 0.00 C ATOM 1686 NE ARG A 112 1.749 4.253 -0.482 1.00 0.00 N ATOM 1687 CZ ARG A 112 1.407 5.392 -1.076 1.00 0.00 C ATOM 1688 NH1 ARG A 112 0.276 5.471 -1.765 1.00 0.00 N ATOM 1689 NH2 ARG A 112 2.194 6.454 -0.981 1.00 0.00 N ATOM 0 H ARG A 112 3.610 0.943 1.652 1.00 0.00 H new ATOM 0 HA ARG A 112 0.923 0.572 2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.112 0.765 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.443 0.306 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.104 2.393 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.577 2.806 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.349 2.368 -1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.072 3.289 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 112 2.624 4.227 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.334 4.657 -1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.016 6.346 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.064 6.398 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.930 7.327 -1.438 1.00 0.00 H new ATOM 1703 N SER A 113 2.453 -1.794 1.066 1.00 0.00 N ATOM 1704 CA SER A 113 2.549 -3.239 0.922 1.00 0.00 C ATOM 1705 C SER A 113 2.750 -3.885 2.286 1.00 0.00 C ATOM 1706 O SER A 113 2.354 -5.026 2.511 1.00 0.00 O ATOM 1707 CB SER A 113 3.704 -3.606 -0.011 1.00 0.00 C ATOM 1708 OG SER A 113 3.402 -3.266 -1.354 1.00 0.00 O ATOM 0 H SER A 113 3.052 -1.265 0.432 1.00 0.00 H new ATOM 0 HA SER A 113 1.621 -3.610 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.609 -3.087 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.908 -4.674 0.060 1.00 0.00 H new ATOM 0 HG SER A 113 4.156 -3.509 -1.930 1.00 0.00 H new ATOM 1714 N LYS A 114 3.401 -3.147 3.181 1.00 0.00 N ATOM 1715 CA LYS A 114 3.632 -3.617 4.542 1.00 0.00 C ATOM 1716 C LYS A 114 2.396 -3.406 5.405 1.00 0.00 C ATOM 1717 O LYS A 114 2.054 -4.260 6.220 1.00 0.00 O ATOM 1718 CB LYS A 114 4.837 -2.915 5.174 1.00 0.00 C ATOM 1719 CG LYS A 114 6.147 -3.185 4.450 1.00 0.00 C ATOM 1720 CD LYS A 114 6.481 -4.669 4.423 1.00 0.00 C ATOM 1721 CE LYS A 114 7.205 -5.053 3.143 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.335 -4.904 1.945 1.00 0.00 N ATOM 0 H LYS A 114 3.778 -2.219 2.987 1.00 0.00 H new ATOM 0 HA LYS A 114 3.845 -4.685 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.654 -1.841 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.932 -3.237 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.083 -2.808 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.953 -2.640 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.102 -4.919 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.564 -5.251 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.092 -4.430 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.548 -6.085 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.669 -5.539 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.356 -5.149 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.371 -3.920 1.610 1.00 0.00 H new ATOM 1736 N VAL A 115 1.740 -2.255 5.247 1.00 0.00 N ATOM 1737 CA VAL A 115 0.540 -1.969 6.026 1.00 0.00 C ATOM 1738 C VAL A 115 -0.584 -2.925 5.630 1.00 0.00 C ATOM 1739 O VAL A 115 -1.008 -3.751 6.436 1.00 0.00 O ATOM 1740 CB VAL A 115 0.091 -0.497 5.878 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.422 -0.357 5.971 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.764 0.358 6.940 1.00 0.00 C ATOM 0 H VAL A 115 2.015 -1.518 4.597 1.00 0.00 H new ATOM 0 HA VAL A 115 0.781 -2.123 7.078 1.00 0.00 H new ATOM 0 HB VAL A 115 0.393 -0.153 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.698 0.692 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.891 -0.939 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.762 -0.723 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.443 1.394 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.486 -0.005 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.846 0.299 6.823 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.013 -2.857 4.369 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.061 -3.741 3.868 1.00 0.00 C ATOM 1754 C ASP A 116 -1.778 -5.199 4.233 1.00 0.00 C ATOM 1755 O ASP A 116 -2.699 -5.963 4.527 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.190 -3.602 2.350 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.580 -3.946 1.853 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.115 -4.997 2.264 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.136 -3.162 1.055 1.00 0.00 O ATOM 0 H ASP A 116 -0.650 -2.200 3.679 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.999 -3.447 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.946 -2.580 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.463 -4.253 1.865 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.502 -5.581 4.219 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.114 -6.944 4.569 1.00 0.00 C ATOM 1766 C GLU A 117 -0.222 -7.160 6.071 1.00 0.00 C ATOM 1767 O GLU A 117 -0.682 -8.207 6.526 1.00 0.00 O ATOM 1768 CB GLU A 117 1.311 -7.240 4.102 1.00 0.00 C ATOM 1769 CG GLU A 117 1.378 -7.990 2.782 1.00 0.00 C ATOM 1770 CD GLU A 117 2.771 -8.503 2.471 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.751 -7.842 2.875 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.882 -9.563 1.820 1.00 0.00 O ATOM 0 H GLU A 117 0.276 -4.969 3.971 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.795 -7.628 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.854 -6.300 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.821 -7.824 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.684 -8.830 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.050 -7.332 1.978 1.00 0.00 H new ATOM 1779 N ALA A 118 0.202 -6.160 6.837 1.00 0.00 N ATOM 1780 CA ALA A 118 0.112 -6.229 8.288 1.00 0.00 C ATOM 1781 C ALA A 118 -1.344 -6.330 8.706 1.00 0.00 C ATOM 1782 O ALA A 118 -1.657 -6.801 9.795 1.00 0.00 O ATOM 1783 CB ALA A 118 0.772 -5.023 8.933 1.00 0.00 C ATOM 0 H ALA A 118 0.609 -5.297 6.478 1.00 0.00 H new ATOM 0 HA ALA A 118 0.643 -7.118 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.690 -5.100 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.824 -4.989 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.276 -4.113 8.596 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.227 -5.896 7.816 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.658 -5.978 8.047 1.00 0.00 C ATOM 1791 C VAL A 119 -4.093 -7.429 8.073 1.00 0.00 C ATOM 1792 O VAL A 119 -4.819 -7.861 8.965 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.424 -5.238 6.957 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.923 -5.295 7.194 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.940 -3.816 6.914 1.00 0.00 C ATOM 0 H VAL A 119 -1.971 -5.480 6.920 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.878 -5.512 9.008 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.239 -5.720 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.438 -4.757 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.251 -6.334 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.157 -4.834 8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.479 -3.272 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.117 -3.342 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.873 -3.801 6.693 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.613 -8.179 7.089 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.879 -9.603 7.015 1.00 0.00 C ATOM 1807 C ALA A 120 -3.334 -10.287 8.260 1.00 0.00 C ATOM 1808 O ALA A 120 -3.834 -11.325 8.694 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.241 -10.179 5.761 1.00 0.00 C ATOM 0 H ALA A 120 -3.035 -7.819 6.329 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.954 -9.774 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.443 -11.249 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.658 -9.688 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.164 -10.014 5.792 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.314 -9.664 8.842 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.683 -10.163 10.050 1.00 0.00 C ATOM 1817 C VAL A 121 -2.436 -9.681 11.287 1.00 0.00 C ATOM 1818 O VAL A 121 -2.497 -10.375 12.302 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.212 -9.702 10.118 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.327 -9.787 11.535 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.646 -10.519 9.164 1.00 0.00 C ATOM 0 H VAL A 121 -1.905 -8.800 8.487 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.712 -11.252 10.025 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.172 -8.657 9.811 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.365 -9.456 11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.267 -9.149 12.189 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.270 -10.818 11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.680 -10.181 9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.592 -11.573 9.438 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.281 -10.390 8.145 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.014 -8.488 11.189 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.782 -7.916 12.285 1.00 0.00 C ATOM 1833 C LEU A 122 -5.100 -8.663 12.437 1.00 0.00 C ATOM 1834 O LEU A 122 -5.589 -8.872 13.547 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.023 -6.418 12.044 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.486 -5.960 12.085 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.782 -5.246 13.395 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.795 -5.056 10.902 1.00 0.00 C ATOM 0 H LEU A 122 -2.964 -7.898 10.358 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.216 -8.021 13.211 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.465 -5.855 12.792 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.607 -6.155 11.071 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.126 -6.840 12.020 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.824 -4.927 13.408 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.599 -5.924 14.228 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.135 -4.374 13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.837 -4.741 10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.149 -4.179 10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.621 -5.600 9.973 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.658 -9.076 11.305 1.00 0.00 N ATOM 1851 CA GLN A 123 -6.898 -9.833 11.292 1.00 0.00 C ATOM 1852 C GLN A 123 -6.654 -11.247 11.804 1.00 0.00 C ATOM 1853 O GLN A 123 -7.543 -11.875 12.373 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.471 -9.875 9.873 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.191 -8.598 9.468 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.490 -8.398 10.222 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.813 -7.287 10.641 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.244 -9.477 10.402 1.00 0.00 N ATOM 0 H GLN A 123 -5.266 -8.897 10.380 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.618 -9.343 11.948 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.661 -10.064 9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.164 -10.713 9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.537 -7.744 9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.397 -8.625 8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.938 -10.379 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.129 -9.403 10.904 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.430 -11.731 11.604 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.045 -13.063 12.054 1.00 0.00 C ATOM 1869 C ALA A 124 -4.507 -13.030 13.480 1.00 0.00 C ATOM 1870 O ALA A 124 -4.228 -14.074 14.071 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.001 -13.650 11.117 1.00 0.00 C ATOM 0 H ALA A 124 -4.687 -11.217 11.131 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.934 -13.693 12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.720 -14.645 11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.413 -13.718 10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.120 -13.008 11.106 1.00 0.00 H new