USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= -0.654 X(o=-1.4,f=-1.6) USER MOD Set 1.2: A 110 SER OG : rot 110:sc= -0.725 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.19 USER MOD Set 2.2: A 57 MET CE :methyl -176:sc= -0.929 (180deg=-0.962) USER MOD Single : A 56 SER OG : rot 180:sc= -1.46! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) 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 175:sc= -0.479 (180deg=-0.526) USER MOD Single : A 79 GLN : amide:sc= -1.25 K(o=-1.3,f=-2) USER MOD Single : A 81 MET CE :methyl -147:sc= -0.685 (180deg=-2.85!) USER MOD Single : A 82 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-15!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= -0.275 (180deg=-2.3!) USER MOD Single : A 90 THR OG1 : rot -110:sc= -2.42! USER MOD Single : A 92 MET CE :methyl -108:sc= -0.528 (180deg=-3.37!) USER MOD Single : A 98 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 158:sc= -7.69! (180deg=-8.83!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.788 9.043 3.636 1.00 0.00 N ATOM 766 CA LEU A 53 2.061 8.989 4.344 1.00 0.00 C ATOM 767 C LEU A 53 2.830 7.723 3.984 1.00 0.00 C ATOM 768 O LEU A 53 2.232 6.683 3.704 1.00 0.00 O ATOM 769 CB LEU A 53 1.825 9.037 5.854 1.00 0.00 C ATOM 770 CG LEU A 53 2.778 9.948 6.632 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.051 11.193 7.115 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.392 9.207 7.807 1.00 0.00 C ATOM 0 HA LEU A 53 2.654 9.853 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.802 9.367 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.909 8.026 6.251 1.00 0.00 H new ATOM 0 HG LEU A 53 3.580 10.252 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.744 11.828 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.659 11.741 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.228 10.903 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.066 9.873 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.602 8.870 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.950 8.345 7.442 1.00 0.00 H new ATOM 784 N THR A 54 4.156 7.816 3.996 1.00 0.00 N ATOM 785 CA THR A 54 5.007 6.675 3.680 1.00 0.00 C ATOM 786 C THR A 54 6.459 6.973 4.033 1.00 0.00 C ATOM 787 O THR A 54 6.743 7.894 4.799 1.00 0.00 O ATOM 788 CB THR A 54 4.892 6.314 2.197 1.00 0.00 C ATOM 789 OG1 THR A 54 4.232 7.343 1.478 1.00 0.00 O ATOM 790 CG2 THR A 54 4.139 5.024 1.953 1.00 0.00 C ATOM 0 H THR A 54 4.665 8.671 4.221 1.00 0.00 H new ATOM 0 HA THR A 54 4.671 5.826 4.275 1.00 0.00 H new ATOM 0 HB THR A 54 5.917 6.188 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.170 7.093 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.093 4.826 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.653 4.203 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.127 5.113 2.349 1.00 0.00 H new ATOM 798 N ALA A 55 7.373 6.193 3.467 1.00 0.00 N ATOM 799 CA ALA A 55 8.794 6.369 3.734 1.00 0.00 C ATOM 800 C ALA A 55 9.266 7.761 3.334 1.00 0.00 C ATOM 801 O ALA A 55 10.109 8.356 4.006 1.00 0.00 O ATOM 802 CB ALA A 55 9.604 5.306 3.017 1.00 0.00 C ATOM 0 H ALA A 55 7.155 5.434 2.821 1.00 0.00 H new ATOM 0 HA ALA A 55 8.948 6.261 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.663 5.452 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.298 4.319 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.434 5.381 1.943 1.00 0.00 H new ATOM 808 N SER A 56 8.720 8.278 2.237 1.00 0.00 N ATOM 809 CA SER A 56 9.084 9.609 1.765 1.00 0.00 C ATOM 810 C SER A 56 8.744 10.657 2.817 1.00 0.00 C ATOM 811 O SER A 56 9.553 11.531 3.122 1.00 0.00 O ATOM 812 CB SER A 56 8.367 9.930 0.455 1.00 0.00 C ATOM 813 OG SER A 56 8.329 8.800 -0.400 1.00 0.00 O ATOM 0 H SER A 56 8.028 7.798 1.662 1.00 0.00 H new ATOM 0 HA SER A 56 10.159 9.626 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.351 10.264 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.875 10.753 -0.048 1.00 0.00 H new ATOM 0 HG SER A 56 7.863 9.033 -1.230 1.00 0.00 H new ATOM 819 N MET A 57 7.543 10.550 3.380 1.00 0.00 N ATOM 820 CA MET A 57 7.106 11.466 4.425 1.00 0.00 C ATOM 821 C MET A 57 8.032 11.368 5.627 1.00 0.00 C ATOM 822 O MET A 57 8.395 12.373 6.237 1.00 0.00 O ATOM 823 CB MET A 57 5.671 11.145 4.850 1.00 0.00 C ATOM 824 CG MET A 57 4.603 11.713 3.925 1.00 0.00 C ATOM 825 SD MET A 57 5.253 12.256 2.332 1.00 0.00 S ATOM 826 CE MET A 57 4.905 10.822 1.318 1.00 0.00 C ATOM 0 H MET A 57 6.857 9.838 3.129 1.00 0.00 H new ATOM 0 HA MET A 57 7.138 12.482 4.030 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.553 10.063 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.507 11.531 5.856 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.837 10.956 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.117 12.555 4.417 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.313 10.975 0.319 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.363 9.940 1.766 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.827 10.676 1.251 1.00 0.00 H new ATOM 836 N LEU A 58 8.416 10.139 5.953 1.00 0.00 N ATOM 837 CA LEU A 58 9.319 9.878 7.065 1.00 0.00 C ATOM 838 C LEU A 58 10.635 10.618 6.875 1.00 0.00 C ATOM 839 O LEU A 58 11.134 11.275 7.788 1.00 0.00 O ATOM 840 CB LEU A 58 9.590 8.373 7.166 1.00 0.00 C ATOM 841 CG LEU A 58 8.506 7.523 7.849 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.242 8.328 8.122 1.00 0.00 C ATOM 843 CD2 LEU A 58 8.190 6.307 6.991 1.00 0.00 C ATOM 0 H LEU A 58 8.112 9.301 5.457 1.00 0.00 H new ATOM 0 HA LEU A 58 8.849 10.231 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.742 7.986 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.526 8.231 7.707 1.00 0.00 H new ATOM 0 HG LEU A 58 8.893 7.195 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.502 7.690 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.479 9.168 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.839 8.703 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.421 5.707 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.831 6.634 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.091 5.707 6.864 1.00 0.00 H new ATOM 855 N ALA A 59 11.193 10.498 5.676 1.00 0.00 N ATOM 856 CA ALA A 59 12.461 11.143 5.348 1.00 0.00 C ATOM 857 C ALA A 59 12.309 12.659 5.271 1.00 0.00 C ATOM 858 O ALA A 59 13.296 13.386 5.160 1.00 0.00 O ATOM 859 CB ALA A 59 13.004 10.599 4.036 1.00 0.00 C ATOM 0 H ALA A 59 10.786 9.958 4.912 1.00 0.00 H new ATOM 0 HA ALA A 59 13.169 10.918 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.950 11.088 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.164 9.525 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.288 10.794 3.237 1.00 0.00 H new ATOM 865 N SER A 60 11.066 13.130 5.323 1.00 0.00 N ATOM 866 CA SER A 60 10.789 14.560 5.257 1.00 0.00 C ATOM 867 C SER A 60 10.975 15.216 6.620 1.00 0.00 C ATOM 868 O SER A 60 10.961 16.442 6.737 1.00 0.00 O ATOM 869 CB SER A 60 9.365 14.803 4.750 1.00 0.00 C ATOM 870 OG SER A 60 9.253 16.074 4.132 1.00 0.00 O ATOM 0 H SER A 60 10.237 12.543 5.410 1.00 0.00 H new ATOM 0 HA SER A 60 11.497 15.009 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.091 14.024 4.039 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.663 14.736 5.581 1.00 0.00 H new ATOM 0 HG SER A 60 8.335 16.204 3.816 1.00 0.00 H new ATOM 876 N ALA A 61 11.152 14.392 7.649 1.00 0.00 N ATOM 877 CA ALA A 61 11.346 14.892 9.006 1.00 0.00 C ATOM 878 C ALA A 61 12.489 14.157 9.707 1.00 0.00 C ATOM 879 O ALA A 61 12.283 13.527 10.745 1.00 0.00 O ATOM 880 CB ALA A 61 10.057 14.754 9.804 1.00 0.00 C ATOM 0 H ALA A 61 11.165 13.375 7.569 1.00 0.00 H new ATOM 0 HA ALA A 61 11.614 15.947 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.213 15.130 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.267 15.329 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.767 13.704 9.848 1.00 0.00 H new ATOM 946 N GLN A 66 11.036 11.380 12.211 1.00 0.00 N ATOM 947 CA GLN A 66 11.622 10.366 11.340 1.00 0.00 C ATOM 948 C GLN A 66 11.338 8.966 11.866 1.00 0.00 C ATOM 949 O GLN A 66 11.214 8.014 11.096 1.00 0.00 O ATOM 950 CB GLN A 66 13.130 10.571 11.222 1.00 0.00 C ATOM 951 CG GLN A 66 13.653 10.374 9.812 1.00 0.00 C ATOM 952 CD GLN A 66 15.077 9.855 9.782 1.00 0.00 C ATOM 953 OE1 GLN A 66 16.024 10.589 10.062 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.236 8.581 9.440 1.00 0.00 N ATOM 0 HA GLN A 66 11.167 10.469 10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.380 11.577 11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.638 9.876 11.891 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.005 9.675 9.283 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.605 11.322 9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.423 8.008 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.171 8.176 9.402 1.00 0.00 H new ATOM 963 N LYS A 67 11.252 8.848 13.186 1.00 0.00 N ATOM 964 CA LYS A 67 10.987 7.565 13.828 1.00 0.00 C ATOM 965 C LYS A 67 9.824 7.676 14.810 1.00 0.00 C ATOM 966 O LYS A 67 9.810 7.013 15.847 1.00 0.00 O ATOM 967 CB LYS A 67 12.239 7.064 14.556 1.00 0.00 C ATOM 968 CG LYS A 67 13.538 7.394 13.840 1.00 0.00 C ATOM 969 CD LYS A 67 14.274 8.538 14.517 1.00 0.00 C ATOM 970 CE LYS A 67 15.692 8.141 14.899 1.00 0.00 C ATOM 971 NZ LYS A 67 16.711 8.919 14.142 1.00 0.00 N ATOM 0 H LYS A 67 11.362 9.627 13.835 1.00 0.00 H new ATOM 0 HA LYS A 67 10.716 6.849 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.265 7.499 15.555 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.168 5.983 14.680 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.177 6.511 13.819 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.326 7.659 12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.304 9.399 13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.728 8.846 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.837 8.297 15.968 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.834 7.077 14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.663 8.618 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.590 8.750 13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.593 9.933 14.342 1.00 0.00 H new ATOM 985 N GLN A 68 8.842 8.509 14.471 1.00 0.00 N ATOM 986 CA GLN A 68 7.685 8.710 15.337 1.00 0.00 C ATOM 987 C GLN A 68 6.370 8.646 14.556 1.00 0.00 C ATOM 988 O GLN A 68 5.462 7.898 14.920 1.00 0.00 O ATOM 989 CB GLN A 68 7.794 10.058 16.054 1.00 0.00 C ATOM 990 CG GLN A 68 6.629 10.352 16.984 1.00 0.00 C ATOM 991 CD GLN A 68 6.800 11.655 17.740 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.455 12.726 17.238 1.00 0.00 O ATOM 993 NE2 GLN A 68 7.335 11.571 18.951 1.00 0.00 N ATOM 0 H GLN A 68 8.825 9.052 13.608 1.00 0.00 H new ATOM 0 HA GLN A 68 7.679 7.902 16.069 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.720 10.080 16.628 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.862 10.851 15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.707 10.391 16.404 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.523 9.534 17.697 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.606 10.662 19.327 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.475 12.415 19.506 1.00 0.00 H new ATOM 1002 N MET A 69 6.262 9.452 13.502 1.00 0.00 N ATOM 1003 CA MET A 69 5.032 9.525 12.715 1.00 0.00 C ATOM 1004 C MET A 69 4.914 8.377 11.711 1.00 0.00 C ATOM 1005 O MET A 69 4.190 8.484 10.721 1.00 0.00 O ATOM 1006 CB MET A 69 4.961 10.862 11.978 1.00 0.00 C ATOM 1007 CG MET A 69 5.948 10.982 10.828 1.00 0.00 C ATOM 1008 SD MET A 69 5.311 11.975 9.466 1.00 0.00 S ATOM 1009 CE MET A 69 6.833 12.619 8.779 1.00 0.00 C ATOM 0 H MET A 69 7.010 10.063 13.173 1.00 0.00 H new ATOM 0 HA MET A 69 4.199 9.439 13.412 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.951 11.001 11.593 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.145 11.668 12.688 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.874 11.426 11.194 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.195 9.986 10.461 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.613 13.183 7.872 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.312 13.274 9.507 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.502 11.793 8.539 1.00 0.00 H new ATOM 1019 N LEU A 70 5.615 7.283 11.972 1.00 0.00 N ATOM 1020 CA LEU A 70 5.570 6.118 11.091 1.00 0.00 C ATOM 1021 C LEU A 70 4.446 5.187 11.510 1.00 0.00 C ATOM 1022 O LEU A 70 3.730 4.637 10.673 1.00 0.00 O ATOM 1023 CB LEU A 70 6.904 5.364 11.119 1.00 0.00 C ATOM 1024 CG LEU A 70 7.907 5.881 12.148 1.00 0.00 C ATOM 1025 CD1 LEU A 70 9.049 4.895 12.336 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.424 7.243 11.723 1.00 0.00 C ATOM 0 H LEU A 70 6.222 7.175 12.785 1.00 0.00 H new ATOM 0 HA LEU A 70 5.388 6.467 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.707 4.311 11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.358 5.419 10.130 1.00 0.00 H new ATOM 0 HG LEU A 70 7.403 5.985 13.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.750 5.286 13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.652 3.941 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.565 4.750 11.387 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.139 7.607 12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.914 7.160 10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.591 7.942 11.650 1.00 0.00 H new ATOM 1038 N GLY A 71 4.297 5.020 12.817 1.00 0.00 N ATOM 1039 CA GLY A 71 3.248 4.177 13.337 1.00 0.00 C ATOM 1040 C GLY A 71 2.377 4.906 14.339 1.00 0.00 C ATOM 1041 O GLY A 71 1.594 4.284 15.056 1.00 0.00 O ATOM 0 H GLY A 71 4.887 5.456 13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.630 3.818 12.514 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.689 3.300 13.811 1.00 0.00 H new ATOM 1045 N GLU A 72 2.503 6.232 14.381 1.00 0.00 N ATOM 1046 CA GLU A 72 1.724 7.030 15.324 1.00 0.00 C ATOM 1047 C GLU A 72 1.018 8.204 14.642 1.00 0.00 C ATOM 1048 O GLU A 72 0.266 8.936 15.285 1.00 0.00 O ATOM 1049 CB GLU A 72 2.626 7.552 16.445 1.00 0.00 C ATOM 1050 CG GLU A 72 3.565 6.500 17.014 1.00 0.00 C ATOM 1051 CD GLU A 72 3.000 5.819 18.245 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.234 6.325 19.363 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.324 4.779 18.092 1.00 0.00 O ATOM 0 H GLU A 72 3.129 6.770 13.781 1.00 0.00 H new ATOM 0 HA GLU A 72 0.956 6.378 15.741 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.216 8.386 16.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.002 7.943 17.249 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.770 5.750 16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.517 6.967 17.266 1.00 0.00 H new ATOM 1060 N ARG A 73 1.238 8.368 13.341 1.00 0.00 N ATOM 1061 CA ARG A 73 0.623 9.464 12.597 1.00 0.00 C ATOM 1062 C ARG A 73 -0.112 8.948 11.369 1.00 0.00 C ATOM 1063 O ARG A 73 -1.013 9.603 10.846 1.00 0.00 O ATOM 1064 CB ARG A 73 1.696 10.461 12.167 1.00 0.00 C ATOM 1065 CG ARG A 73 1.174 11.595 11.299 1.00 0.00 C ATOM 1066 CD ARG A 73 0.519 12.681 12.133 1.00 0.00 C ATOM 1067 NE ARG A 73 1.455 13.286 13.077 1.00 0.00 N ATOM 1068 CZ ARG A 73 1.097 14.154 14.020 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.173 14.518 14.143 1.00 0.00 N ATOM 1070 NH2 ARG A 73 2.009 14.658 14.839 1.00 0.00 N ATOM 0 H ARG A 73 1.835 7.759 12.781 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.099 9.956 13.249 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.162 10.883 13.057 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.475 9.928 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.996 12.022 10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.454 11.203 10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.119 13.452 11.474 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.325 12.259 12.679 1.00 0.00 H new ATOM 0 HE ARG A 73 2.440 13.028 13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.877 14.132 13.514 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.445 15.183 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.986 14.381 14.747 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.734 15.323 15.561 1.00 0.00 H new ATOM 1084 N LEU A 74 0.289 7.774 10.913 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.300 7.168 9.725 1.00 0.00 C ATOM 1086 C LEU A 74 -1.685 6.598 10.002 1.00 0.00 C ATOM 1087 O LEU A 74 -2.440 6.321 9.072 1.00 0.00 O ATOM 1088 CB LEU A 74 0.605 6.057 9.209 1.00 0.00 C ATOM 1089 CG LEU A 74 1.397 6.404 7.958 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.800 5.833 8.051 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.680 5.893 6.718 1.00 0.00 C ATOM 0 H LEU A 74 1.024 7.217 11.348 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.401 7.952 8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.304 5.782 9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.005 5.178 9.003 1.00 0.00 H new ATOM 0 HG LEU A 74 1.475 7.488 7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.357 6.088 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.306 6.251 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.746 4.749 8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.259 6.149 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.572 4.810 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.306 6.353 6.652 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.997 6.393 11.278 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.277 5.807 11.673 1.00 0.00 C ATOM 1105 C PHE A 75 -4.460 6.444 10.929 1.00 0.00 C ATOM 1106 O PHE A 75 -5.255 5.734 10.310 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.474 5.924 13.190 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.872 5.614 13.647 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.517 4.462 13.222 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.541 6.474 14.503 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.805 4.179 13.636 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.828 6.194 14.925 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.459 5.045 14.492 1.00 0.00 C ATOM 0 H PHE A 75 -1.382 6.624 12.058 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.250 4.753 11.396 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.780 5.248 13.690 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.215 6.935 13.503 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.007 3.778 12.560 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.051 7.374 14.845 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.299 3.283 13.291 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.338 6.873 15.592 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.463 4.823 14.822 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.614 7.784 10.985 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.727 8.471 10.316 1.00 0.00 C ATOM 1125 C PRO A 76 -5.700 8.289 8.803 1.00 0.00 C ATOM 1126 O PRO A 76 -6.689 8.555 8.119 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.519 9.947 10.679 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.085 10.050 11.069 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.736 8.733 11.695 1.00 0.00 C ATOM 0 HA PRO A 76 -6.691 8.074 10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.746 10.597 9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.173 10.248 11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.457 10.249 10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.928 10.870 11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.683 8.488 11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.926 8.733 12.768 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.562 7.838 8.283 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.406 7.648 6.848 1.00 0.00 C ATOM 1139 C LEU A 77 -4.608 6.189 6.441 1.00 0.00 C ATOM 1140 O LEU A 77 -4.934 5.907 5.288 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.028 8.138 6.397 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.824 9.654 6.479 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.462 10.039 5.924 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.931 10.386 5.733 1.00 0.00 C ATOM 0 H LEU A 77 -3.738 7.598 8.834 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.178 8.237 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.268 7.650 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.864 7.819 5.368 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.865 9.949 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.334 11.119 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.681 9.545 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.393 9.729 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.768 11.461 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.924 10.086 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.895 10.136 6.176 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.413 5.262 7.377 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.604 3.844 7.077 1.00 0.00 C ATOM 1158 C ILE A 78 -6.070 3.557 6.785 1.00 0.00 C ATOM 1159 O ILE A 78 -6.395 2.792 5.877 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.154 2.926 8.224 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.837 3.410 8.827 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.019 1.497 7.720 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.670 3.331 7.870 1.00 0.00 C ATOM 0 H ILE A 78 -4.127 5.462 8.335 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.985 3.633 6.205 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.910 2.955 9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.956 4.442 9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.612 2.815 9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.700 0.851 8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.981 1.153 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.279 1.462 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.768 3.691 8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.525 2.297 7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.874 3.949 6.995 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.951 4.170 7.573 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.391 4.006 7.399 1.00 0.00 C ATOM 1177 C GLN A 79 -8.796 4.316 5.962 1.00 0.00 C ATOM 1178 O GLN A 79 -9.871 3.930 5.504 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.140 4.929 8.361 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.598 4.238 9.636 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.290 5.184 10.597 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.696 6.285 10.222 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.431 4.758 11.847 1.00 0.00 N ATOM 0 H GLN A 79 -6.690 4.788 8.342 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.651 2.970 7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.494 5.767 8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.009 5.344 7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.278 3.425 9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.737 3.789 10.131 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.080 3.839 12.115 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.890 5.350 12.539 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.913 5.017 5.264 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.133 5.380 3.869 1.00 0.00 C ATOM 1194 C ALA A 80 -7.775 4.223 2.945 1.00 0.00 C ATOM 1195 O ALA A 80 -8.407 4.021 1.909 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.300 6.601 3.513 1.00 0.00 C ATOM 0 H ALA A 80 -7.027 5.349 5.646 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.190 5.612 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.470 6.866 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.588 7.437 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.244 6.377 3.663 1.00 0.00 H new ATOM 1202 N MET A 81 -6.734 3.485 3.319 1.00 0.00 N ATOM 1203 CA MET A 81 -6.270 2.352 2.526 1.00 0.00 C ATOM 1204 C MET A 81 -7.211 1.164 2.683 1.00 0.00 C ATOM 1205 O MET A 81 -7.674 0.588 1.698 1.00 0.00 O ATOM 1206 CB MET A 81 -4.855 1.963 2.957 1.00 0.00 C ATOM 1207 CG MET A 81 -3.998 3.156 3.350 1.00 0.00 C ATOM 1208 SD MET A 81 -2.497 3.289 2.362 1.00 0.00 S ATOM 1209 CE MET A 81 -1.319 2.467 3.429 1.00 0.00 C ATOM 0 H MET A 81 -6.195 3.652 4.169 1.00 0.00 H new ATOM 0 HA MET A 81 -6.258 2.643 1.476 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.916 1.274 3.800 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.368 1.427 2.142 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.582 4.070 3.241 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.729 3.074 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.339 2.929 3.313 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.642 2.558 4.466 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.258 1.413 3.159 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.493 0.813 3.930 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.389 -0.292 4.238 1.00 0.00 C ATOM 1221 C HIS A 82 -9.736 0.239 4.718 1.00 0.00 C ATOM 1222 O HIS A 82 -9.834 1.396 5.119 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.762 -1.182 5.312 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.077 -2.392 4.761 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.412 -3.656 5.179 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.090 -2.478 3.836 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.635 -4.479 4.500 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.810 -3.811 3.686 1.00 0.00 N ATOM 0 H HIS A 82 -7.110 1.282 4.751 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.549 -0.881 3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.042 -0.596 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.539 -1.500 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.617 -1.657 3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.662 -5.555 4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.106 -4.217 3.070 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.799 -0.588 4.674 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.134 -0.174 5.124 1.00 0.00 C ATOM 1238 C PRO A 83 -12.181 0.059 6.631 1.00 0.00 C ATOM 1239 O PRO A 83 -12.761 -0.733 7.375 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.028 -1.353 4.731 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.108 -2.524 4.675 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.784 -1.989 4.207 1.00 0.00 C ATOM 0 HA PRO A 83 -12.443 0.771 4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.822 -1.508 5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.509 -1.181 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.015 -2.994 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.485 -3.284 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.951 -2.547 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.686 -2.051 3.123 1.00 0.00 H new ATOM 1250 N THR A 84 -11.551 1.147 7.073 1.00 0.00 N ATOM 1251 CA THR A 84 -11.500 1.489 8.490 1.00 0.00 C ATOM 1252 C THR A 84 -11.030 0.296 9.321 1.00 0.00 C ATOM 1253 O THR A 84 -11.540 0.047 10.414 1.00 0.00 O ATOM 1254 CB THR A 84 -12.876 1.956 8.972 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.549 2.667 7.949 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.816 2.849 10.192 1.00 0.00 C ATOM 0 H THR A 84 -11.067 1.808 6.465 1.00 0.00 H new ATOM 0 HA THR A 84 -10.784 2.301 8.619 1.00 0.00 H new ATOM 0 HB THR A 84 -13.412 1.045 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.427 2.956 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.826 3.142 10.478 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.348 2.309 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.231 3.740 9.963 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.063 -0.447 8.788 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.539 -1.625 9.471 1.00 0.00 C ATOM 1266 C LEU A 85 -8.284 -1.290 10.270 1.00 0.00 C ATOM 1267 O LEU A 85 -7.600 -2.184 10.771 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.232 -2.731 8.459 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.440 -3.563 8.021 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.067 -4.474 6.862 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.980 -4.376 9.189 1.00 0.00 C ATOM 0 H LEU A 85 -9.627 -0.254 7.886 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.302 -1.974 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.782 -2.279 7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.487 -3.400 8.890 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.223 -2.883 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.938 -5.058 6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.728 -3.871 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.267 -5.147 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.838 -4.961 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.203 -5.047 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.286 -3.703 9.990 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.988 0.001 10.393 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.823 0.453 11.144 1.00 0.00 C ATOM 1285 C ALA A 86 -7.004 0.184 12.636 1.00 0.00 C ATOM 1286 O ALA A 86 -7.544 -0.851 13.027 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.568 1.929 10.876 1.00 0.00 C ATOM 0 H ALA A 86 -8.541 0.753 9.981 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.951 -0.110 10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.696 2.256 11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.387 2.080 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.438 2.510 11.182 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.547 1.112 13.469 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.648 0.928 14.902 1.00 0.00 C ATOM 1295 C GLY A 87 -5.469 0.154 15.450 1.00 0.00 C ATOM 1296 O GLY A 87 -5.111 0.293 16.619 1.00 0.00 O ATOM 0 H GLY A 87 -6.110 1.986 13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.704 1.901 15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.572 0.399 15.137 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.850 -0.649 14.589 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.687 -1.432 14.976 1.00 0.00 C ATOM 1302 C LYS A 88 -2.833 -1.793 13.766 1.00 0.00 C ATOM 1303 O LYS A 88 -1.944 -2.630 13.861 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.106 -2.713 15.702 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.934 -3.494 16.288 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.195 -2.690 17.346 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.932 -2.052 16.783 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.568 -0.803 17.507 1.00 0.00 N ATOM 0 H LYS A 88 -5.137 -0.773 13.618 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.095 -0.815 15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.798 -2.456 16.504 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.648 -3.354 15.007 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.299 -4.423 16.726 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.243 -3.767 15.490 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.852 -1.914 17.739 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.934 -3.340 18.181 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.107 -2.762 16.848 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.079 -1.829 15.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.467 -0.712 17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.971 0.017 17.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.946 -0.840 18.475 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.090 -1.172 12.624 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.291 -1.461 11.452 1.00 0.00 C ATOM 1324 C ILE A 89 -0.930 -0.775 11.559 1.00 0.00 C ATOM 1325 O ILE A 89 0.009 -1.343 12.111 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.996 -1.054 10.151 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.306 -1.838 10.008 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.079 -1.320 8.970 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.219 -1.318 8.920 1.00 0.00 C ATOM 0 H ILE A 89 -3.828 -0.481 12.489 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.149 -2.541 11.414 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.230 0.010 10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.072 -2.883 9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.839 -1.812 10.959 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.581 -1.030 8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.163 -0.740 9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.833 -2.381 8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.123 -1.925 8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.486 -0.283 9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.707 -1.370 7.959 1.00 0.00 H new ATOM 1341 N THR A 90 -0.847 0.460 11.076 1.00 0.00 N ATOM 1342 CA THR A 90 0.392 1.238 11.137 1.00 0.00 C ATOM 1343 C THR A 90 0.957 1.258 12.551 1.00 0.00 C ATOM 1344 O THR A 90 2.170 1.177 12.744 1.00 0.00 O ATOM 1345 CB THR A 90 0.114 2.661 10.653 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.789 2.911 9.432 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.511 3.749 11.629 1.00 0.00 C ATOM 0 H THR A 90 -1.626 0.949 10.635 1.00 0.00 H new ATOM 0 HA THR A 90 1.136 0.771 10.492 1.00 0.00 H new ATOM 0 HB THR A 90 -0.969 2.704 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.518 3.548 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.277 4.724 11.202 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.039 3.620 12.561 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.581 3.687 11.828 1.00 0.00 H new ATOM 1355 N GLY A 91 0.074 1.396 13.534 1.00 0.00 N ATOM 1356 CA GLY A 91 0.512 1.406 14.913 1.00 0.00 C ATOM 1357 C GLY A 91 1.324 0.175 15.240 1.00 0.00 C ATOM 1358 O GLY A 91 2.262 0.226 16.036 1.00 0.00 O ATOM 0 H GLY A 91 -0.932 1.500 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.109 2.298 15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.355 1.458 15.572 1.00 0.00 H new ATOM 1362 N MET A 92 0.982 -0.931 14.589 1.00 0.00 N ATOM 1363 CA MET A 92 1.684 -2.179 14.792 1.00 0.00 C ATOM 1364 C MET A 92 2.925 -2.228 13.925 1.00 0.00 C ATOM 1365 O MET A 92 3.882 -2.931 14.236 1.00 0.00 O ATOM 1366 CB MET A 92 0.741 -3.337 14.477 1.00 0.00 C ATOM 1367 CG MET A 92 1.353 -4.453 13.678 1.00 0.00 C ATOM 1368 SD MET A 92 0.664 -4.572 12.022 1.00 0.00 S ATOM 1369 CE MET A 92 -0.520 -5.889 12.263 1.00 0.00 C ATOM 0 H MET A 92 0.218 -0.982 13.915 1.00 0.00 H new ATOM 0 HA MET A 92 2.005 -2.260 15.831 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.365 -3.745 15.415 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.119 -2.948 13.931 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.430 -4.299 13.610 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.199 -5.397 14.201 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.163 -6.793 11.770 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.640 -6.080 13.329 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.480 -5.598 11.837 1.00 0.00 H new ATOM 1379 N LEU A 93 2.911 -1.446 12.854 1.00 0.00 N ATOM 1380 CA LEU A 93 4.047 -1.372 11.950 1.00 0.00 C ATOM 1381 C LEU A 93 5.277 -0.859 12.685 1.00 0.00 C ATOM 1382 O LEU A 93 6.379 -0.838 12.139 1.00 0.00 O ATOM 1383 CB LEU A 93 3.718 -0.473 10.768 1.00 0.00 C ATOM 1384 CG LEU A 93 3.058 -1.176 9.577 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.029 -2.158 8.936 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.785 -1.889 10.010 1.00 0.00 C ATOM 0 H LEU A 93 2.123 -0.854 12.591 1.00 0.00 H new ATOM 0 HA LEU A 93 4.263 -2.373 11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.058 0.324 11.111 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.638 0.001 10.425 1.00 0.00 H new ATOM 0 HG LEU A 93 2.790 -0.421 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.545 -2.649 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.911 -1.622 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.326 -2.907 9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.333 -2.381 9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.025 -2.634 10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.084 -1.163 10.423 1.00 0.00 H new ATOM 1398 N LEU A 94 5.077 -0.450 13.931 1.00 0.00 N ATOM 1399 CA LEU A 94 6.172 -0.013 14.778 1.00 0.00 C ATOM 1400 C LEU A 94 6.471 -1.102 15.802 1.00 0.00 C ATOM 1401 O LEU A 94 6.986 -0.833 16.887 1.00 0.00 O ATOM 1402 CB LEU A 94 5.818 1.301 15.481 1.00 0.00 C ATOM 1403 CG LEU A 94 6.469 2.557 14.891 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.956 2.586 15.208 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.239 2.631 13.386 1.00 0.00 C ATOM 0 H LEU A 94 4.160 -0.413 14.377 1.00 0.00 H new ATOM 0 HA LEU A 94 7.056 0.163 14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.736 1.427 15.456 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.105 1.222 16.529 1.00 0.00 H new ATOM 0 HG LEU A 94 6.002 3.429 15.348 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.402 3.485 14.781 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.098 2.589 16.289 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.436 1.705 14.781 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.710 3.531 12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.674 1.753 12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.169 2.662 13.183 1.00 0.00 H new ATOM 1417 N GLU A 95 6.104 -2.335 15.447 1.00 0.00 N ATOM 1418 CA GLU A 95 6.292 -3.480 16.331 1.00 0.00 C ATOM 1419 C GLU A 95 6.098 -4.805 15.590 1.00 0.00 C ATOM 1420 O GLU A 95 6.223 -5.874 16.189 1.00 0.00 O ATOM 1421 CB GLU A 95 5.316 -3.399 17.509 1.00 0.00 C ATOM 1422 CG GLU A 95 3.903 -3.847 17.166 1.00 0.00 C ATOM 1423 CD GLU A 95 3.044 -4.066 18.396 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.467 -4.832 19.287 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.947 -3.472 18.466 1.00 0.00 O ATOM 0 H GLU A 95 5.674 -2.563 14.551 1.00 0.00 H new ATOM 0 HA GLU A 95 7.317 -3.448 16.700 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.694 -4.014 18.325 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.284 -2.372 17.872 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.433 -3.098 16.529 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.949 -4.772 16.591 1.00 0.00 H new ATOM 1432 N ILE A 96 5.831 -4.739 14.283 1.00 0.00 N ATOM 1433 CA ILE A 96 5.620 -5.952 13.483 1.00 0.00 C ATOM 1434 C ILE A 96 6.870 -6.831 13.443 1.00 0.00 C ATOM 1435 O ILE A 96 7.701 -6.806 14.352 1.00 0.00 O ATOM 1436 CB ILE A 96 5.240 -5.636 12.015 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.402 -4.963 11.277 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.984 -4.792 11.925 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.811 -3.628 11.844 1.00 0.00 C ATOM 0 H ILE A 96 5.756 -3.867 13.758 1.00 0.00 H new ATOM 0 HA ILE A 96 4.799 -6.474 13.975 1.00 0.00 H new ATOM 0 HB ILE A 96 5.030 -6.587 11.526 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.263 -5.631 11.295 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.124 -4.830 10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.753 -4.594 10.878 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.153 -5.326 12.385 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.142 -3.848 12.447 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.639 -3.224 11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.967 -2.940 11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.124 -3.753 12.881 1.00 0.00 H new ATOM 1451 N ASP A 97 7.005 -7.580 12.348 1.00 0.00 N ATOM 1452 CA ASP A 97 8.152 -8.445 12.122 1.00 0.00 C ATOM 1453 C ASP A 97 9.453 -7.645 12.118 1.00 0.00 C ATOM 1454 O ASP A 97 10.538 -8.211 11.982 1.00 0.00 O ATOM 1455 CB ASP A 97 7.979 -9.163 10.783 1.00 0.00 C ATOM 1456 CG ASP A 97 8.642 -10.525 10.761 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.554 -11.245 11.779 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.250 -10.874 9.727 1.00 0.00 O ATOM 0 H ASP A 97 6.318 -7.600 11.594 1.00 0.00 H new ATOM 0 HA ASP A 97 8.208 -9.172 12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.916 -9.277 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.398 -8.546 9.988 1.00 0.00 H new ATOM 1463 N ASN A 98 9.321 -6.323 12.244 1.00 0.00 N ATOM 1464 CA ASN A 98 10.459 -5.407 12.268 1.00 0.00 C ATOM 1465 C ASN A 98 11.006 -5.159 10.868 1.00 0.00 C ATOM 1466 O ASN A 98 11.552 -4.092 10.589 1.00 0.00 O ATOM 1467 CB ASN A 98 11.568 -5.922 13.190 1.00 0.00 C ATOM 1468 CG ASN A 98 11.560 -5.242 14.545 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.553 -4.665 14.956 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.684 -5.311 15.248 1.00 0.00 N ATOM 0 H ASN A 98 8.418 -5.858 12.332 1.00 0.00 H new ATOM 0 HA ASN A 98 10.098 -4.458 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.452 -6.997 13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.535 -5.763 12.713 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.737 -4.875 16.169 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.494 -5.800 14.868 1.00 0.00 H new ATOM 1477 N SER A 99 10.848 -6.138 9.987 1.00 0.00 N ATOM 1478 CA SER A 99 11.296 -5.989 8.609 1.00 0.00 C ATOM 1479 C SER A 99 10.341 -5.077 7.854 1.00 0.00 C ATOM 1480 O SER A 99 10.721 -4.429 6.878 1.00 0.00 O ATOM 1481 CB SER A 99 11.391 -7.347 7.917 1.00 0.00 C ATOM 1482 OG SER A 99 11.820 -8.353 8.819 1.00 0.00 O ATOM 0 H SER A 99 10.416 -7.037 10.200 1.00 0.00 H new ATOM 0 HA SER A 99 12.290 -5.543 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.419 -7.616 7.503 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.087 -7.284 7.081 1.00 0.00 H new ATOM 0 HG SER A 99 11.871 -9.212 8.351 1.00 0.00 H new ATOM 1488 N GLU A 100 9.102 -5.020 8.330 1.00 0.00 N ATOM 1489 CA GLU A 100 8.094 -4.146 7.748 1.00 0.00 C ATOM 1490 C GLU A 100 8.252 -2.742 8.308 1.00 0.00 C ATOM 1491 O GLU A 100 7.917 -1.762 7.650 1.00 0.00 O ATOM 1492 CB GLU A 100 6.692 -4.687 8.016 1.00 0.00 C ATOM 1493 CG GLU A 100 6.637 -6.204 8.105 1.00 0.00 C ATOM 1494 CD GLU A 100 5.553 -6.801 7.228 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.379 -6.406 7.383 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.880 -7.665 6.386 1.00 0.00 O ATOM 0 H GLU A 100 8.772 -5.572 9.121 1.00 0.00 H new ATOM 0 HA GLU A 100 8.234 -4.110 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.319 -4.262 8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.024 -4.352 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.603 -6.617 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.464 -6.497 9.140 1.00 0.00 H new ATOM 1503 N LEU A 101 8.812 -2.656 9.514 1.00 0.00 N ATOM 1504 CA LEU A 101 9.102 -1.371 10.137 1.00 0.00 C ATOM 1505 C LEU A 101 10.325 -0.749 9.473 1.00 0.00 C ATOM 1506 O LEU A 101 10.500 0.467 9.468 1.00 0.00 O ATOM 1507 CB LEU A 101 9.355 -1.549 11.639 1.00 0.00 C ATOM 1508 CG LEU A 101 10.219 -0.467 12.294 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.377 0.749 12.643 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.910 -1.015 13.533 1.00 0.00 C ATOM 0 H LEU A 101 9.073 -3.465 10.078 1.00 0.00 H new ATOM 0 HA LEU A 101 8.244 -0.712 10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.393 -1.581 12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.832 -2.516 11.797 1.00 0.00 H new ATOM 0 HG LEU A 101 10.985 -0.159 11.582 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.008 1.507 13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.930 1.155 11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.588 0.458 13.337 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.520 -0.233 13.986 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.160 -1.351 14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.546 -1.855 13.253 1.00 0.00 H new ATOM 1522 N LEU A 102 11.168 -1.613 8.919 1.00 0.00 N ATOM 1523 CA LEU A 102 12.390 -1.188 8.246 1.00 0.00 C ATOM 1524 C LEU A 102 12.116 -0.819 6.799 1.00 0.00 C ATOM 1525 O LEU A 102 12.549 0.229 6.324 1.00 0.00 O ATOM 1526 CB LEU A 102 13.431 -2.315 8.310 1.00 0.00 C ATOM 1527 CG LEU A 102 14.164 -2.490 9.651 1.00 0.00 C ATOM 1528 CD1 LEU A 102 15.648 -2.716 9.413 1.00 0.00 C ATOM 1529 CD2 LEU A 102 13.950 -1.293 10.571 1.00 0.00 C ATOM 0 H LEU A 102 11.025 -2.623 8.923 1.00 0.00 H new ATOM 0 HA LEU A 102 12.775 -0.304 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.934 -3.254 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.175 -2.138 7.534 1.00 0.00 H new ATOM 0 HG LEU A 102 13.744 -3.365 10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.155 -2.838 10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.787 -3.614 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.067 -1.858 8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.483 -1.454 11.508 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.328 -0.391 10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.886 -1.176 10.775 1.00 0.00 H new ATOM 1541 N HIS A 103 11.393 -1.682 6.107 1.00 0.00 N ATOM 1542 CA HIS A 103 11.081 -1.460 4.710 1.00 0.00 C ATOM 1543 C HIS A 103 10.139 -0.270 4.534 1.00 0.00 C ATOM 1544 O HIS A 103 10.282 0.505 3.590 1.00 0.00 O ATOM 1545 CB HIS A 103 10.461 -2.728 4.122 1.00 0.00 C ATOM 1546 CG HIS A 103 11.076 -3.152 2.824 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.662 -2.241 1.977 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.173 -4.390 2.280 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.099 -2.939 0.942 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.825 -4.243 1.083 1.00 0.00 N ATOM 0 H HIS A 103 11.011 -2.545 6.493 1.00 0.00 H new ATOM 0 HA HIS A 103 12.004 -1.227 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.561 -3.539 4.843 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.394 -2.564 3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.808 -5.312 2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.611 -2.513 0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.058 -4.986 0.424 1.00 0.00 H new ATOM 1558 N MET A 104 9.187 -0.121 5.453 1.00 0.00 N ATOM 1559 CA MET A 104 8.224 0.978 5.391 1.00 0.00 C ATOM 1560 C MET A 104 8.928 2.332 5.399 1.00 0.00 C ATOM 1561 O MET A 104 8.463 3.279 4.770 1.00 0.00 O ATOM 1562 CB MET A 104 7.249 0.901 6.566 1.00 0.00 C ATOM 1563 CG MET A 104 7.918 1.101 7.907 1.00 0.00 C ATOM 1564 SD MET A 104 6.937 2.117 9.024 1.00 0.00 S ATOM 1565 CE MET A 104 5.299 1.481 8.688 1.00 0.00 C ATOM 0 H MET A 104 9.061 -0.746 6.249 1.00 0.00 H new ATOM 0 HA MET A 104 7.672 0.880 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.474 1.657 6.437 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.753 -0.069 6.556 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.098 0.130 8.368 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.892 1.568 7.757 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.644 1.699 9.532 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.902 1.954 7.789 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.351 0.403 8.538 1.00 0.00 H new ATOM 1575 N LEU A 105 10.024 2.427 6.146 1.00 0.00 N ATOM 1576 CA LEU A 105 10.793 3.665 6.213 1.00 0.00 C ATOM 1577 C LEU A 105 11.807 3.708 5.090 1.00 0.00 C ATOM 1578 O LEU A 105 12.419 4.742 4.821 1.00 0.00 O ATOM 1579 CB LEU A 105 11.528 3.779 7.553 1.00 0.00 C ATOM 1580 CG LEU A 105 10.731 3.342 8.778 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.632 3.270 10.000 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.576 4.294 9.020 1.00 0.00 C ATOM 0 H LEU A 105 10.398 1.665 6.711 1.00 0.00 H new ATOM 0 HA LEU A 105 10.097 4.499 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.438 3.181 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.836 4.815 7.692 1.00 0.00 H new ATOM 0 HG LEU A 105 10.325 2.347 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.047 2.957 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.430 2.550 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.065 4.252 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.016 3.971 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.962 5.300 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.919 4.297 8.150 1.00 0.00 H new ATOM 1594 N GLU A 106 11.996 2.562 4.453 1.00 0.00 N ATOM 1595 CA GLU A 106 12.989 2.430 3.409 1.00 0.00 C ATOM 1596 C GLU A 106 12.367 2.452 2.016 1.00 0.00 C ATOM 1597 O GLU A 106 13.081 2.511 1.014 1.00 0.00 O ATOM 1598 CB GLU A 106 13.763 1.127 3.620 1.00 0.00 C ATOM 1599 CG GLU A 106 14.850 1.239 4.667 1.00 0.00 C ATOM 1600 CD GLU A 106 15.838 2.352 4.374 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.377 2.387 3.248 1.00 0.00 O ATOM 1602 OE2 GLU A 106 16.076 3.186 5.273 1.00 0.00 O ATOM 0 H GLU A 106 11.470 1.709 4.645 1.00 0.00 H new ATOM 0 HA GLU A 106 13.663 3.285 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.066 0.342 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.210 0.821 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.393 1.413 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.386 0.292 4.731 1.00 0.00 H new ATOM 1609 N SER A 107 11.041 2.419 1.952 1.00 0.00 N ATOM 1610 CA SER A 107 10.347 2.418 0.667 1.00 0.00 C ATOM 1611 C SER A 107 9.007 3.150 0.747 1.00 0.00 C ATOM 1612 O SER A 107 8.226 2.931 1.673 1.00 0.00 O ATOM 1613 CB SER A 107 10.123 0.982 0.198 1.00 0.00 C ATOM 1614 OG SER A 107 10.192 0.887 -1.214 1.00 0.00 O ATOM 0 H SER A 107 10.428 2.393 2.767 1.00 0.00 H new ATOM 0 HA SER A 107 10.975 2.947 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.872 0.329 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.149 0.632 0.541 1.00 0.00 H new ATOM 0 HG SER A 107 10.047 -0.043 -1.487 1.00 0.00 H new ATOM 1620 N PRO A 108 8.713 4.019 -0.243 1.00 0.00 N ATOM 1621 CA PRO A 108 7.455 4.775 -0.287 1.00 0.00 C ATOM 1622 C PRO A 108 6.262 3.891 -0.638 1.00 0.00 C ATOM 1623 O PRO A 108 5.136 4.370 -0.767 1.00 0.00 O ATOM 1624 CB PRO A 108 7.697 5.803 -1.392 1.00 0.00 C ATOM 1625 CG PRO A 108 8.701 5.163 -2.286 1.00 0.00 C ATOM 1626 CD PRO A 108 9.583 4.334 -1.393 1.00 0.00 C ATOM 0 HA PRO A 108 7.211 5.216 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.777 6.032 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.070 6.743 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.214 4.542 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.283 5.914 -2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.926 3.430 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.472 4.884 -1.085 1.00 0.00 H new ATOM 1634 N GLU A 109 6.523 2.600 -0.801 1.00 0.00 N ATOM 1635 CA GLU A 109 5.478 1.639 -1.137 1.00 0.00 C ATOM 1636 C GLU A 109 5.479 0.481 -0.150 1.00 0.00 C ATOM 1637 O GLU A 109 4.530 -0.298 -0.098 1.00 0.00 O ATOM 1638 CB GLU A 109 5.683 1.115 -2.558 1.00 0.00 C ATOM 1639 CG GLU A 109 5.610 2.199 -3.621 1.00 0.00 C ATOM 1640 CD GLU A 109 6.601 1.982 -4.746 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.806 2.236 -4.533 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.174 1.559 -5.840 1.00 0.00 O ATOM 0 H GLU A 109 7.453 2.192 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 109 4.514 2.144 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.654 0.623 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.928 0.358 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.601 2.232 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.797 3.168 -3.159 1.00 0.00 H new ATOM 1649 N SER A 110 6.546 0.376 0.634 1.00 0.00 N ATOM 1650 CA SER A 110 6.642 -0.664 1.647 1.00 0.00 C ATOM 1651 C SER A 110 5.721 -0.348 2.803 1.00 0.00 C ATOM 1652 O SER A 110 5.000 -1.208 3.288 1.00 0.00 O ATOM 1653 CB SER A 110 8.068 -0.795 2.159 1.00 0.00 C ATOM 1654 OG SER A 110 8.645 -2.019 1.744 1.00 0.00 O ATOM 0 H SER A 110 7.354 0.997 0.587 1.00 0.00 H new ATOM 0 HA SER A 110 6.346 -1.608 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.668 0.037 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.074 -0.736 3.247 1.00 0.00 H new ATOM 0 HG SER A 110 9.339 -1.843 1.075 1.00 0.00 H new ATOM 1660 N LEU A 111 5.744 0.898 3.235 1.00 0.00 N ATOM 1661 CA LEU A 111 4.903 1.328 4.329 1.00 0.00 C ATOM 1662 C LEU A 111 3.438 1.058 4.032 1.00 0.00 C ATOM 1663 O LEU A 111 2.645 0.829 4.941 1.00 0.00 O ATOM 1664 CB LEU A 111 5.102 2.811 4.587 1.00 0.00 C ATOM 1665 CG LEU A 111 4.364 3.342 5.804 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.240 4.335 6.541 1.00 0.00 C ATOM 1667 CD2 LEU A 111 3.036 3.965 5.393 1.00 0.00 C ATOM 0 H LEU A 111 6.337 1.629 2.843 1.00 0.00 H new ATOM 0 HA LEU A 111 5.188 0.760 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.167 3.006 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.775 3.367 3.708 1.00 0.00 H new ATOM 0 HG LEU A 111 4.142 2.516 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.707 4.713 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.158 3.842 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.487 5.165 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.521 4.340 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.219 4.789 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.417 3.213 4.904 1.00 0.00 H new ATOM 1679 N ARG A 112 3.082 1.108 2.757 1.00 0.00 N ATOM 1680 CA ARG A 112 1.706 0.902 2.346 1.00 0.00 C ATOM 1681 C ARG A 112 1.424 -0.574 2.071 1.00 0.00 C ATOM 1682 O ARG A 112 0.388 -1.102 2.475 1.00 0.00 O ATOM 1683 CB ARG A 112 1.417 1.746 1.106 1.00 0.00 C ATOM 1684 CG ARG A 112 0.560 1.041 0.076 1.00 0.00 C ATOM 1685 CD ARG A 112 0.263 1.934 -1.114 1.00 0.00 C ATOM 1686 NE ARG A 112 0.771 3.293 -0.935 1.00 0.00 N ATOM 1687 CZ ARG A 112 0.027 4.384 -1.087 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -1.254 4.280 -1.414 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.563 5.584 -0.908 1.00 0.00 N ATOM 0 H ARG A 112 3.730 1.290 1.990 1.00 0.00 H new ATOM 0 HA ARG A 112 1.048 1.213 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.919 2.666 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.362 2.033 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.068 0.139 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.376 0.725 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.706 1.499 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.814 1.971 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 112 1.751 3.411 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.673 3.360 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.821 5.120 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.547 5.670 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.009 6.421 -1.025 1.00 0.00 H new ATOM 1703 N SER A 113 2.338 -1.227 1.362 1.00 0.00 N ATOM 1704 CA SER A 113 2.183 -2.640 1.031 1.00 0.00 C ATOM 1705 C SER A 113 2.289 -3.501 2.283 1.00 0.00 C ATOM 1706 O SER A 113 1.613 -4.521 2.406 1.00 0.00 O ATOM 1707 CB SER A 113 3.240 -3.069 0.012 1.00 0.00 C ATOM 1708 OG SER A 113 2.655 -3.332 -1.251 1.00 0.00 O ATOM 0 H SER A 113 3.194 -0.802 1.005 1.00 0.00 H new ATOM 0 HA SER A 113 1.194 -2.780 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.992 -2.286 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.754 -3.961 0.371 1.00 0.00 H new ATOM 0 HG SER A 113 3.352 -3.603 -1.884 1.00 0.00 H new ATOM 1714 N LYS A 114 3.153 -3.086 3.203 1.00 0.00 N ATOM 1715 CA LYS A 114 3.340 -3.806 4.455 1.00 0.00 C ATOM 1716 C LYS A 114 2.218 -3.484 5.426 1.00 0.00 C ATOM 1717 O LYS A 114 1.864 -4.308 6.263 1.00 0.00 O ATOM 1718 CB LYS A 114 4.691 -3.466 5.087 1.00 0.00 C ATOM 1719 CG LYS A 114 5.876 -3.821 4.206 1.00 0.00 C ATOM 1720 CD LYS A 114 6.163 -5.313 4.227 1.00 0.00 C ATOM 1721 CE LYS A 114 6.546 -5.825 2.849 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.911 -7.269 2.872 1.00 0.00 N ATOM 0 H LYS A 114 3.735 -2.254 3.104 1.00 0.00 H new ATOM 0 HA LYS A 114 3.322 -4.873 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.721 -2.400 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.783 -3.994 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.677 -3.503 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.757 -3.276 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.970 -5.520 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.284 -5.849 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.714 -5.672 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.386 -5.245 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.166 -7.578 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.721 -7.412 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.101 -7.826 3.212 1.00 0.00 H new ATOM 1736 N VAL A 115 1.661 -2.279 5.313 1.00 0.00 N ATOM 1737 CA VAL A 115 0.546 -1.885 6.168 1.00 0.00 C ATOM 1738 C VAL A 115 -0.703 -2.666 5.766 1.00 0.00 C ATOM 1739 O VAL A 115 -1.319 -3.336 6.593 1.00 0.00 O ATOM 1740 CB VAL A 115 0.278 -0.358 6.119 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.213 -0.052 6.062 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.899 0.327 7.323 1.00 0.00 C ATOM 0 H VAL A 115 1.960 -1.568 4.646 1.00 0.00 H new ATOM 0 HA VAL A 115 0.811 -2.122 7.198 1.00 0.00 H new ATOM 0 HB VAL A 115 0.737 0.026 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.362 1.027 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.644 -0.505 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.702 -0.459 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.702 1.398 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.466 -0.080 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.975 0.156 7.324 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.026 -2.624 4.474 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.165 -3.360 3.938 1.00 0.00 C ATOM 1754 C ASP A 116 -2.005 -4.854 4.203 1.00 0.00 C ATOM 1755 O ASP A 116 -2.984 -5.562 4.450 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.288 -3.103 2.432 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.442 -3.852 1.796 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.382 -5.098 1.733 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.403 -3.191 1.350 1.00 0.00 O ATOM 0 H ASP A 116 -0.511 -2.085 3.778 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.072 -3.015 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.417 -2.034 2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.359 -3.394 1.942 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.763 -5.325 4.156 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.471 -6.728 4.420 1.00 0.00 C ATOM 1766 C GLU A 117 -0.492 -6.987 5.917 1.00 0.00 C ATOM 1767 O GLU A 117 -0.820 -8.085 6.364 1.00 0.00 O ATOM 1768 CB GLU A 117 0.891 -7.111 3.836 1.00 0.00 C ATOM 1769 CG GLU A 117 0.847 -7.514 2.367 1.00 0.00 C ATOM 1770 CD GLU A 117 -0.412 -7.051 1.657 1.00 0.00 C ATOM 1771 OE1 GLU A 117 -0.446 -5.886 1.210 1.00 0.00 O ATOM 1772 OE2 GLU A 117 -1.362 -7.855 1.549 1.00 0.00 O ATOM 0 H GLU A 117 0.055 -4.757 3.938 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.235 -7.341 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.573 -6.269 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.304 -7.936 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.717 -7.100 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.920 -8.599 2.292 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.157 -5.957 6.686 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.185 -6.056 8.135 1.00 0.00 C ATOM 1781 C ALA A 118 -1.621 -6.142 8.616 1.00 0.00 C ATOM 1782 O ALA A 118 -1.896 -6.688 9.679 1.00 0.00 O ATOM 1783 CB ALA A 118 0.526 -4.878 8.777 1.00 0.00 C ATOM 0 H ALA A 118 0.136 -5.048 6.329 1.00 0.00 H new ATOM 0 HA ALA A 118 0.343 -6.962 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.490 -4.978 9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.565 -4.858 8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.034 -3.951 8.482 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.536 -5.609 7.812 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.951 -5.681 8.125 1.00 0.00 C ATOM 1791 C VAL A 119 -4.410 -7.120 8.100 1.00 0.00 C ATOM 1792 O VAL A 119 -5.018 -7.608 9.050 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.801 -4.882 7.141 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.218 -4.767 7.672 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.187 -3.519 6.896 1.00 0.00 C ATOM 0 H VAL A 119 -2.319 -5.124 6.941 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.081 -5.251 9.118 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.834 -5.402 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.825 -4.196 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.643 -5.763 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.205 -4.259 8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.806 -2.962 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.127 -2.972 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.186 -3.640 6.482 1.00 0.00 H new ATOM 1805 N ALA A 120 -4.099 -7.800 7.007 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.423 -9.205 6.875 1.00 0.00 C ATOM 1807 C ALA A 120 -3.809 -9.980 8.033 1.00 0.00 C ATOM 1808 O ALA A 120 -4.285 -11.050 8.413 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.911 -9.735 5.545 1.00 0.00 C ATOM 0 H ALA A 120 -3.622 -7.398 6.200 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.505 -9.332 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.159 -10.792 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.377 -9.182 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.829 -9.611 5.496 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.754 -9.401 8.597 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.044 -9.989 9.719 1.00 0.00 C ATOM 1817 C VAL A 121 -2.691 -9.586 11.042 1.00 0.00 C ATOM 1818 O VAL A 121 -2.677 -10.346 12.012 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.568 -9.541 9.703 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.093 -9.765 11.051 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.191 -10.262 8.601 1.00 0.00 C ATOM 0 H VAL A 121 -2.369 -8.509 8.286 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.094 -11.074 9.625 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.542 -8.470 9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.132 -9.439 11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.434 -9.192 11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.056 -10.825 11.303 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.231 -9.936 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.148 -11.337 8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.261 -10.031 7.636 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.256 -8.383 11.071 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.907 -7.871 12.269 1.00 0.00 C ATOM 1833 C LEU A 122 -5.254 -8.556 12.473 1.00 0.00 C ATOM 1834 O LEU A 122 -5.646 -8.852 13.600 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.067 -6.346 12.174 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.499 -5.812 12.293 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.699 -5.121 13.632 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.806 -4.859 11.148 1.00 0.00 C ATOM 0 H LEU A 122 -3.275 -7.744 10.276 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.283 -8.092 13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.463 -5.888 12.957 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.655 -6.016 11.220 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.189 -6.654 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.721 -4.748 13.700 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.518 -5.831 14.439 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.002 -4.288 13.719 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.826 -4.488 11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.111 -4.020 11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.701 -5.385 10.199 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.948 -8.822 11.372 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.232 -9.510 11.426 1.00 0.00 C ATOM 1852 C GLN A 123 -7.017 -11.005 11.636 1.00 0.00 C ATOM 1853 O GLN A 123 -7.897 -11.709 12.132 1.00 0.00 O ATOM 1854 CB GLN A 123 -8.021 -9.266 10.138 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.422 -7.813 9.936 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.452 -7.343 10.944 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.654 -7.379 10.684 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -8.983 -6.896 12.103 1.00 0.00 N ATOM 0 H GLN A 123 -5.643 -8.572 10.431 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.805 -9.115 12.265 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.421 -9.590 9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.919 -9.884 10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.536 -7.183 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.821 -7.687 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -7.978 -6.884 12.276 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -9.628 -6.565 12.820 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.828 -11.473 11.269 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.467 -12.880 11.414 1.00 0.00 C ATOM 1869 C ALA A 124 -5.017 -13.192 12.833 1.00 0.00 C ATOM 1870 O ALA A 124 -4.919 -14.355 13.219 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.360 -13.230 10.439 1.00 0.00 C ATOM 0 H ALA A 124 -5.092 -10.893 10.866 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.351 -13.479 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.095 -14.281 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.702 -13.049 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.486 -12.611 10.643 1.00 0.00 H new