USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= -0.0493 K(o=0.43,f=-4.7!) USER MOD Set 1.2: A 110 SER OG : rot 148:sc= 0.482 USER MOD Set 2.1: A 88 LYS NZ :NH3+ -164:sc= 0.317 (180deg=0.219) USER MOD Set 2.2: A 92 MET CE :methyl -156:sc= -2.65 (180deg=-4.7!) USER MOD Set 3.1: A 54 THR OG1 : rot 150:sc= -0.446 USER MOD Set 3.2: A 57 MET CE :methyl -178:sc= -3.69! (180deg=-3.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 59:sc= 0.75 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= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 69 MET CE :methyl -147:sc= -2.04 (180deg=-2.4!) USER MOD Single : A 79 GLN : amide:sc= -0.718 K(o=-0.72,f=-3.7!) USER MOD Single : A 81 MET CE :methyl -166:sc= -1.33 (180deg=-1.79!) USER MOD Single : A 82 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-7.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc=0.000283 USER MOD Single : A 90 THR OG1 : rot -110:sc= -3.01! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 162:sc= -7.85! (180deg=-8.77!) 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+ -158:sc= -0.0202 (180deg=-0.217) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.517 9.263 3.950 1.00 0.00 N ATOM 766 CA LEU A 53 1.845 9.148 4.539 1.00 0.00 C ATOM 767 C LEU A 53 2.575 7.923 4.003 1.00 0.00 C ATOM 768 O LEU A 53 1.952 6.917 3.660 1.00 0.00 O ATOM 769 CB LEU A 53 1.744 9.064 6.063 1.00 0.00 C ATOM 770 CG LEU A 53 2.741 9.938 6.828 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.055 11.183 7.368 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.385 9.154 7.961 1.00 0.00 C ATOM 0 HA LEU A 53 2.413 10.037 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.734 9.346 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.888 8.026 6.365 1.00 0.00 H new ATOM 0 HG LEU A 53 3.524 10.247 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.779 11.792 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.643 11.759 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.250 10.891 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.090 9.794 8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.614 8.813 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.913 8.292 7.553 1.00 0.00 H new ATOM 784 N THR A 54 3.899 8.017 3.927 1.00 0.00 N ATOM 785 CA THR A 54 4.722 6.916 3.445 1.00 0.00 C ATOM 786 C THR A 54 6.189 7.180 3.751 1.00 0.00 C ATOM 787 O THR A 54 6.524 8.171 4.402 1.00 0.00 O ATOM 788 CB THR A 54 4.529 6.711 1.939 1.00 0.00 C ATOM 789 OG1 THR A 54 3.625 7.666 1.411 1.00 0.00 O ATOM 790 CG2 THR A 54 4.001 5.337 1.587 1.00 0.00 C ATOM 0 H THR A 54 4.425 8.849 4.195 1.00 0.00 H new ATOM 0 HA THR A 54 4.410 6.007 3.960 1.00 0.00 H new ATOM 0 HB THR A 54 5.522 6.826 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.856 7.854 0.477 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.887 5.257 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.701 4.578 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.034 5.185 2.066 1.00 0.00 H new ATOM 798 N ALA A 55 7.059 6.294 3.279 1.00 0.00 N ATOM 799 CA ALA A 55 8.492 6.433 3.512 1.00 0.00 C ATOM 800 C ALA A 55 8.978 7.832 3.151 1.00 0.00 C ATOM 801 O ALA A 55 9.886 8.367 3.787 1.00 0.00 O ATOM 802 CB ALA A 55 9.261 5.391 2.720 1.00 0.00 C ATOM 0 H ALA A 55 6.798 5.473 2.733 1.00 0.00 H new ATOM 0 HA ALA A 55 8.674 6.276 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.329 5.508 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.947 4.394 3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.061 5.521 1.657 1.00 0.00 H new ATOM 808 N SER A 56 8.368 8.421 2.124 1.00 0.00 N ATOM 809 CA SER A 56 8.732 9.762 1.688 1.00 0.00 C ATOM 810 C SER A 56 8.429 10.782 2.779 1.00 0.00 C ATOM 811 O SER A 56 9.249 11.653 3.074 1.00 0.00 O ATOM 812 CB SER A 56 7.984 10.129 0.405 1.00 0.00 C ATOM 813 OG SER A 56 8.187 9.152 -0.602 1.00 0.00 O ATOM 0 H SER A 56 7.621 7.989 1.581 1.00 0.00 H new ATOM 0 HA SER A 56 9.803 9.775 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.919 10.222 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.325 11.101 0.047 1.00 0.00 H new ATOM 0 HG SER A 56 7.697 9.409 -1.411 1.00 0.00 H new ATOM 819 N MET A 57 7.250 10.660 3.382 1.00 0.00 N ATOM 820 CA MET A 57 6.846 11.555 4.459 1.00 0.00 C ATOM 821 C MET A 57 7.808 11.433 5.633 1.00 0.00 C ATOM 822 O MET A 57 8.204 12.430 6.236 1.00 0.00 O ATOM 823 CB MET A 57 5.423 11.229 4.922 1.00 0.00 C ATOM 824 CG MET A 57 4.325 11.756 4.006 1.00 0.00 C ATOM 825 SD MET A 57 4.896 12.094 2.328 1.00 0.00 S ATOM 826 CE MET A 57 4.677 10.487 1.569 1.00 0.00 C ATOM 0 H MET A 57 6.558 9.950 3.142 1.00 0.00 H new ATOM 0 HA MET A 57 6.869 12.578 4.082 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.321 10.147 5.006 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.276 11.642 5.920 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.514 11.029 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.913 12.670 4.433 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.021 10.523 0.535 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.255 9.744 2.118 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.622 10.215 1.591 1.00 0.00 H new ATOM 836 N LEU A 58 8.185 10.197 5.940 1.00 0.00 N ATOM 837 CA LEU A 58 9.112 9.920 7.029 1.00 0.00 C ATOM 838 C LEU A 58 10.464 10.571 6.766 1.00 0.00 C ATOM 839 O LEU A 58 11.061 11.174 7.657 1.00 0.00 O ATOM 840 CB LEU A 58 9.292 8.406 7.183 1.00 0.00 C ATOM 841 CG LEU A 58 8.117 7.635 7.804 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.991 8.567 8.238 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.601 6.599 6.815 1.00 0.00 C ATOM 0 H LEU A 58 7.860 9.366 5.446 1.00 0.00 H new ATOM 0 HA LEU A 58 8.699 10.335 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.494 7.985 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.177 8.228 7.793 1.00 0.00 H new ATOM 0 HG LEU A 58 8.481 7.131 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.180 7.981 8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.367 9.271 8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.619 9.116 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.768 6.055 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.264 7.099 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.401 5.900 6.569 1.00 0.00 H new ATOM 855 N ALA A 59 10.940 10.436 5.533 1.00 0.00 N ATOM 856 CA ALA A 59 12.225 10.998 5.138 1.00 0.00 C ATOM 857 C ALA A 59 12.192 12.523 5.157 1.00 0.00 C ATOM 858 O ALA A 59 13.233 13.175 5.077 1.00 0.00 O ATOM 859 CB ALA A 59 12.617 10.493 3.758 1.00 0.00 C ATOM 0 H ALA A 59 10.452 9.940 4.787 1.00 0.00 H new ATOM 0 HA ALA A 59 12.973 10.671 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.579 10.920 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.694 9.406 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.860 10.791 3.033 1.00 0.00 H new ATOM 865 N SER A 60 10.993 13.086 5.264 1.00 0.00 N ATOM 866 CA SER A 60 10.831 14.534 5.303 1.00 0.00 C ATOM 867 C SER A 60 11.203 15.080 6.677 1.00 0.00 C ATOM 868 O SER A 60 11.439 16.277 6.839 1.00 0.00 O ATOM 869 CB SER A 60 9.391 14.920 4.958 1.00 0.00 C ATOM 870 OG SER A 60 9.037 14.465 3.663 1.00 0.00 O ATOM 0 H SER A 60 10.120 12.562 5.325 1.00 0.00 H new ATOM 0 HA SER A 60 11.500 14.971 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.710 14.494 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.279 16.003 5.009 1.00 0.00 H new ATOM 0 HG SER A 60 9.131 13.490 3.622 1.00 0.00 H new ATOM 876 N ALA A 61 11.260 14.188 7.663 1.00 0.00 N ATOM 877 CA ALA A 61 11.613 14.570 9.026 1.00 0.00 C ATOM 878 C ALA A 61 12.628 13.596 9.624 1.00 0.00 C ATOM 879 O ALA A 61 12.356 12.953 10.639 1.00 0.00 O ATOM 880 CB ALA A 61 10.363 14.635 9.892 1.00 0.00 C ATOM 0 H ALA A 61 11.066 13.194 7.542 1.00 0.00 H new ATOM 0 HA ALA A 61 12.073 15.558 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.638 14.921 10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.674 15.373 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.881 13.658 9.909 1.00 0.00 H new ATOM 946 N GLN A 66 10.964 10.994 12.092 1.00 0.00 N ATOM 947 CA GLN A 66 11.354 9.890 11.222 1.00 0.00 C ATOM 948 C GLN A 66 10.959 8.553 11.839 1.00 0.00 C ATOM 949 O GLN A 66 10.438 7.672 11.156 1.00 0.00 O ATOM 950 CB GLN A 66 12.859 9.917 10.957 1.00 0.00 C ATOM 951 CG GLN A 66 13.230 9.496 9.545 1.00 0.00 C ATOM 952 CD GLN A 66 14.326 8.448 9.517 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.471 8.740 9.172 1.00 0.00 O ATOM 954 NE2 GLN A 66 13.979 7.220 9.880 1.00 0.00 N ATOM 0 HA GLN A 66 10.829 10.007 10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.235 10.924 11.139 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.358 9.258 11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.345 9.105 9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.555 10.371 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.018 7.023 10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.673 6.473 9.880 1.00 0.00 H new ATOM 963 N LYS A 67 11.195 8.418 13.139 1.00 0.00 N ATOM 964 CA LYS A 67 10.853 7.197 13.857 1.00 0.00 C ATOM 965 C LYS A 67 9.809 7.478 14.935 1.00 0.00 C ATOM 966 O LYS A 67 9.890 6.954 16.046 1.00 0.00 O ATOM 967 CB LYS A 67 12.106 6.584 14.485 1.00 0.00 C ATOM 968 CG LYS A 67 12.871 7.541 15.385 1.00 0.00 C ATOM 969 CD LYS A 67 14.190 6.939 15.843 1.00 0.00 C ATOM 970 CE LYS A 67 14.477 7.269 17.298 1.00 0.00 C ATOM 971 NZ LYS A 67 15.020 6.096 18.038 1.00 0.00 N ATOM 0 H LYS A 67 11.623 9.141 13.718 1.00 0.00 H new ATOM 0 HA LYS A 67 10.431 6.488 13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.819 5.706 15.064 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.768 6.239 13.691 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.061 8.472 14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.262 7.790 16.254 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.162 5.857 15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.999 7.315 15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.190 8.092 17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.561 7.610 17.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.202 6.363 19.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.330 5.319 18.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.908 5.786 17.594 1.00 0.00 H new ATOM 985 N GLN A 68 8.825 8.309 14.594 1.00 0.00 N ATOM 986 CA GLN A 68 7.768 8.666 15.534 1.00 0.00 C ATOM 987 C GLN A 68 6.397 8.641 14.862 1.00 0.00 C ATOM 988 O GLN A 68 5.479 7.972 15.333 1.00 0.00 O ATOM 989 CB GLN A 68 8.031 10.053 16.123 1.00 0.00 C ATOM 990 CG GLN A 68 9.258 10.112 17.020 1.00 0.00 C ATOM 991 CD GLN A 68 9.010 10.887 18.300 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.372 10.441 19.388 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.390 12.055 18.175 1.00 0.00 N ATOM 0 H GLN A 68 8.739 8.746 13.676 1.00 0.00 H new ATOM 0 HA GLN A 68 7.770 7.927 16.335 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.152 10.767 15.309 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.158 10.367 16.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.570 9.098 17.269 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.081 10.574 16.474 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.107 12.386 17.253 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.197 12.621 19.001 1.00 0.00 H new ATOM 1002 N MET A 69 6.264 9.383 13.765 1.00 0.00 N ATOM 1003 CA MET A 69 4.995 9.463 13.046 1.00 0.00 C ATOM 1004 C MET A 69 4.782 8.255 12.136 1.00 0.00 C ATOM 1005 O MET A 69 3.748 8.144 11.476 1.00 0.00 O ATOM 1006 CB MET A 69 4.938 10.751 12.221 1.00 0.00 C ATOM 1007 CG MET A 69 5.962 10.804 11.097 1.00 0.00 C ATOM 1008 SD MET A 69 5.374 11.725 9.663 1.00 0.00 S ATOM 1009 CE MET A 69 6.920 12.343 9.002 1.00 0.00 C ATOM 0 H MET A 69 7.017 9.936 13.356 1.00 0.00 H new ATOM 0 HA MET A 69 4.196 9.468 13.788 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.940 10.856 11.796 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.094 11.603 12.883 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.879 11.263 11.467 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.214 9.788 10.793 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.756 13.320 8.546 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.649 12.436 9.807 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.297 11.650 8.250 1.00 0.00 H new ATOM 1019 N LEU A 70 5.761 7.355 12.098 1.00 0.00 N ATOM 1020 CA LEU A 70 5.667 6.164 11.253 1.00 0.00 C ATOM 1021 C LEU A 70 4.491 5.283 11.656 1.00 0.00 C ATOM 1022 O LEU A 70 3.784 4.752 10.800 1.00 0.00 O ATOM 1023 CB LEU A 70 6.957 5.333 11.300 1.00 0.00 C ATOM 1024 CG LEU A 70 7.916 5.614 12.466 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.197 5.566 13.807 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.055 4.610 12.449 1.00 0.00 C ATOM 0 H LEU A 70 6.624 7.425 12.638 1.00 0.00 H new ATOM 0 HA LEU A 70 5.512 6.521 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.682 4.279 11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.499 5.493 10.368 1.00 0.00 H new ATOM 0 HG LEU A 70 8.314 6.621 12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.907 5.770 14.608 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.407 6.317 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.761 4.577 13.951 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.732 4.814 13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.653 3.602 12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.599 4.692 11.508 1.00 0.00 H new ATOM 1038 N GLY A 71 4.307 5.096 12.957 1.00 0.00 N ATOM 1039 CA GLY A 71 3.227 4.254 13.430 1.00 0.00 C ATOM 1040 C GLY A 71 2.396 4.920 14.509 1.00 0.00 C ATOM 1041 O GLY A 71 1.814 4.244 15.357 1.00 0.00 O ATOM 0 H GLY A 71 4.884 5.510 13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.583 3.991 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.641 3.323 13.818 1.00 0.00 H new ATOM 1045 N GLU A 72 2.339 6.249 14.476 1.00 0.00 N ATOM 1046 CA GLU A 72 1.572 7.005 15.462 1.00 0.00 C ATOM 1047 C GLU A 72 0.859 8.190 14.816 1.00 0.00 C ATOM 1048 O GLU A 72 0.116 8.915 15.479 1.00 0.00 O ATOM 1049 CB GLU A 72 2.490 7.503 16.582 1.00 0.00 C ATOM 1050 CG GLU A 72 3.268 6.394 17.273 1.00 0.00 C ATOM 1051 CD GLU A 72 3.628 6.740 18.705 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.948 7.917 18.969 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.592 5.830 19.561 1.00 0.00 O ATOM 0 H GLU A 72 2.813 6.823 13.779 1.00 0.00 H new ATOM 0 HA GLU A 72 0.820 6.337 15.882 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.194 8.225 16.169 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.890 8.031 17.324 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.676 5.479 17.262 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.180 6.191 16.712 1.00 0.00 H new ATOM 1060 N ARG A 73 1.088 8.380 13.521 1.00 0.00 N ATOM 1061 CA ARG A 73 0.472 9.478 12.785 1.00 0.00 C ATOM 1062 C ARG A 73 -0.235 8.962 11.540 1.00 0.00 C ATOM 1063 O ARG A 73 -1.139 9.607 11.010 1.00 0.00 O ATOM 1064 CB ARG A 73 1.533 10.501 12.383 1.00 0.00 C ATOM 1065 CG ARG A 73 0.962 11.743 11.720 1.00 0.00 C ATOM 1066 CD ARG A 73 1.461 13.007 12.396 1.00 0.00 C ATOM 1067 NE ARG A 73 0.488 14.093 12.318 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.175 14.565 13.370 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.030 14.050 14.574 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.043 15.555 13.217 1.00 0.00 N ATOM 0 H ARG A 73 1.697 7.786 12.958 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.263 9.954 13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.093 10.798 13.270 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.241 10.029 11.702 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.241 11.757 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.127 11.712 11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.683 12.795 13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.394 13.323 11.929 1.00 0.00 H new ATOM 0 HE ARG A 73 0.307 14.513 11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.698 13.289 14.696 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.480 14.415 15.378 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.203 15.955 12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.551 15.917 14.024 1.00 0.00 H new ATOM 1084 N LEU A 74 0.196 7.797 11.076 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.368 7.189 9.879 1.00 0.00 C ATOM 1086 C LEU A 74 -1.750 6.610 10.137 1.00 0.00 C ATOM 1087 O LEU A 74 -2.520 6.402 9.205 1.00 0.00 O ATOM 1088 CB LEU A 74 0.551 6.080 9.383 1.00 0.00 C ATOM 1089 CG LEU A 74 1.336 6.416 8.125 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.734 5.828 8.207 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.599 5.914 6.894 1.00 0.00 C ATOM 0 H LEU A 74 0.939 7.252 11.513 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.460 7.971 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.254 5.828 10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.048 5.189 9.193 1.00 0.00 H new ATOM 0 HG LEU A 74 1.429 7.499 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.286 6.075 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.252 6.241 9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.668 4.745 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.172 6.161 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.477 4.833 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.381 6.387 6.839 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.037 6.315 11.400 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.309 5.705 11.779 1.00 0.00 C ATOM 1105 C PHE A 75 -4.501 6.382 11.084 1.00 0.00 C ATOM 1106 O PHE A 75 -5.279 5.712 10.404 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.482 5.731 13.305 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.882 5.431 13.769 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.598 4.376 13.224 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.475 6.202 14.755 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.887 4.109 13.644 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.760 5.932 15.185 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.467 4.883 14.630 1.00 0.00 C ATOM 0 H PHE A 75 -1.405 6.488 12.182 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.288 4.668 11.445 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.800 5.006 13.750 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.190 6.713 13.677 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.144 3.757 12.464 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.927 7.023 15.193 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.441 3.295 13.201 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.211 6.541 15.955 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.471 4.669 14.966 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.673 7.712 11.239 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.792 8.430 10.617 1.00 0.00 C ATOM 1125 C PRO A 76 -5.767 8.337 9.094 1.00 0.00 C ATOM 1126 O PRO A 76 -6.757 8.641 8.429 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.593 9.885 11.063 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.698 9.808 12.252 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.816 8.616 12.026 1.00 0.00 C ATOM 0 HA PRO A 76 -6.752 8.010 10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.144 10.483 10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.544 10.354 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.106 10.718 12.355 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.276 9.698 13.170 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.908 8.883 11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.505 8.160 12.966 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.628 7.922 8.548 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.468 7.817 7.104 1.00 0.00 C ATOM 1139 C LEU A 77 -4.666 6.384 6.611 1.00 0.00 C ATOM 1140 O LEU A 77 -5.024 6.171 5.452 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.088 8.332 6.688 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.845 9.820 6.963 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.460 10.229 6.488 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.912 10.672 6.292 1.00 0.00 C ATOM 0 H LEU A 77 -3.803 7.653 9.085 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.239 8.433 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.327 7.752 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.954 8.148 5.622 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.904 9.984 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.304 11.289 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.707 9.644 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.375 10.048 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.721 11.725 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.887 10.504 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.893 10.398 6.680 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.429 5.401 7.480 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.603 4.002 7.094 1.00 0.00 C ATOM 1158 C ILE A 78 -6.063 3.706 6.794 1.00 0.00 C ATOM 1159 O ILE A 78 -6.381 2.953 5.875 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.131 3.020 8.173 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.813 3.482 8.794 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.990 1.631 7.572 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.623 3.340 7.872 1.00 0.00 C ATOM 0 H ILE A 78 -4.121 5.544 8.442 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.987 3.861 6.206 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.875 2.987 8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.908 4.526 9.091 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.628 2.908 9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.654 0.934 8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.954 1.304 7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.261 1.657 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.724 3.688 8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.501 2.293 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.785 3.937 6.974 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.945 4.298 7.591 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.382 4.124 7.420 1.00 0.00 C ATOM 1177 C GLN A 79 -8.802 4.458 5.995 1.00 0.00 C ATOM 1178 O GLN A 79 -9.949 4.255 5.615 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.130 5.029 8.393 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.746 4.288 9.569 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.589 5.190 10.449 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.817 5.203 10.349 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.934 5.951 11.317 1.00 0.00 N ATOM 0 H GLN A 79 -6.687 4.907 8.367 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.628 3.081 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.443 5.786 8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.918 5.555 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.363 3.471 9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.953 3.841 10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.916 5.908 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.449 6.578 11.935 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.902 5.103 5.270 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.143 5.491 3.885 1.00 0.00 C ATOM 1194 C ALA A 80 -7.747 4.391 2.900 1.00 0.00 C ATOM 1195 O ALA A 80 -8.286 4.308 1.797 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.381 6.767 3.566 1.00 0.00 C ATOM 0 H ALA A 80 -6.984 5.373 5.623 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.214 5.660 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.565 7.051 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.717 7.566 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.314 6.600 3.712 1.00 0.00 H new ATOM 1202 N MET A 81 -6.743 3.601 3.275 1.00 0.00 N ATOM 1203 CA MET A 81 -6.169 2.599 2.377 1.00 0.00 C ATOM 1204 C MET A 81 -6.927 1.278 2.354 1.00 0.00 C ATOM 1205 O MET A 81 -7.099 0.680 1.291 1.00 0.00 O ATOM 1206 CB MET A 81 -4.720 2.306 2.786 1.00 0.00 C ATOM 1207 CG MET A 81 -3.985 3.508 3.348 1.00 0.00 C ATOM 1208 SD MET A 81 -2.305 3.646 2.715 1.00 0.00 S ATOM 1209 CE MET A 81 -1.438 2.576 3.859 1.00 0.00 C ATOM 0 H MET A 81 -6.309 3.635 4.197 1.00 0.00 H new ATOM 0 HA MET A 81 -6.232 3.030 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.717 1.510 3.530 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.176 1.933 1.918 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.538 4.415 3.103 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.956 3.436 4.435 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.364 2.740 3.768 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.754 2.800 4.878 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.667 1.535 3.629 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.263 0.760 3.526 1.00 0.00 N ATOM 1220 CA HIS A 82 -7.821 -0.587 3.617 1.00 0.00 C ATOM 1221 C HIS A 82 -9.323 -0.706 3.299 1.00 0.00 C ATOM 1222 O HIS A 82 -9.738 -1.726 2.749 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.501 -1.202 4.978 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.919 -2.573 4.842 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.566 -3.688 5.319 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.779 -2.955 4.218 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.806 -4.717 4.979 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.701 -4.316 4.337 1.00 0.00 N ATOM 0 H HIS A 82 -7.162 1.242 4.419 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.331 -1.151 2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.800 -0.560 5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.409 -1.250 5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.069 -2.310 3.722 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.046 -5.748 5.192 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.945 -4.912 4.001 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.179 0.274 3.649 1.00 0.00 N ATOM 1237 CA PRO A 83 -9.809 1.522 4.289 1.00 0.00 C ATOM 1238 C PRO A 83 -9.977 1.478 5.806 1.00 0.00 C ATOM 1239 O PRO A 83 -8.995 1.367 6.539 1.00 0.00 O ATOM 1240 CB PRO A 83 -10.794 2.513 3.655 1.00 0.00 C ATOM 1241 CG PRO A 83 -11.972 1.701 3.204 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.618 0.245 3.381 1.00 0.00 C ATOM 0 HA PRO A 83 -8.759 1.776 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.098 3.274 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.335 3.034 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.857 1.953 3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.207 1.914 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.171 -0.205 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.848 -0.336 2.488 1.00 0.00 H new ATOM 1250 N THR A 84 -11.223 1.572 6.270 1.00 0.00 N ATOM 1251 CA THR A 84 -11.517 1.571 7.702 1.00 0.00 C ATOM 1252 C THR A 84 -11.221 0.215 8.338 1.00 0.00 C ATOM 1253 O THR A 84 -12.135 -0.546 8.656 1.00 0.00 O ATOM 1254 CB THR A 84 -12.982 1.946 7.939 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.363 3.029 7.108 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.276 2.339 9.371 1.00 0.00 C ATOM 0 H THR A 84 -12.046 1.650 5.673 1.00 0.00 H new ATOM 0 HA THR A 84 -10.870 2.311 8.172 1.00 0.00 H new ATOM 0 HB THR A 84 -13.552 1.047 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.303 3.253 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.332 2.593 9.469 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.040 1.506 10.033 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.669 3.202 9.643 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.940 -0.060 8.556 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.508 -1.314 9.166 1.00 0.00 C ATOM 1266 C LEU A 85 -8.278 -1.086 10.037 1.00 0.00 C ATOM 1267 O LEU A 85 -7.629 -2.035 10.479 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.179 -2.338 8.079 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.144 -3.527 7.973 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.376 -4.161 9.337 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -11.463 -3.093 7.351 1.00 0.00 C ATOM 0 H LEU A 85 -9.177 0.573 8.318 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.319 -1.692 9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.156 -1.825 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.175 -2.723 8.259 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.689 -4.276 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.063 -5.001 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.427 -4.515 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.804 -3.422 10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.133 -3.950 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.921 -2.321 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.281 -2.696 6.352 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.960 0.183 10.259 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.781 0.569 11.029 1.00 0.00 C ATOM 1285 C ALA A 86 -6.985 0.398 12.533 1.00 0.00 C ATOM 1286 O ALA A 86 -6.549 1.234 13.323 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.405 2.005 10.703 1.00 0.00 C ATOM 0 H ALA A 86 -8.508 0.971 9.913 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.967 -0.098 10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.525 2.290 11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.186 2.091 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.234 2.665 10.957 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.602 -0.710 12.931 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.805 -0.972 14.343 1.00 0.00 C ATOM 1295 C GLY A 87 -6.500 -1.255 15.063 1.00 0.00 C ATOM 1296 O GLY A 87 -6.452 -1.271 16.294 1.00 0.00 O ATOM 0 H GLY A 87 -7.964 -1.428 12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.294 -0.114 14.804 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.476 -1.823 14.461 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.441 -1.479 14.285 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.115 -1.762 14.826 1.00 0.00 C ATOM 1302 C LYS A 88 -3.136 -2.044 13.692 1.00 0.00 C ATOM 1303 O LYS A 88 -2.277 -2.919 13.798 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.158 -2.961 15.780 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.839 -3.230 16.486 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.643 -4.713 16.749 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.805 -5.365 15.661 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.786 -6.848 15.787 1.00 0.00 N ATOM 0 H LYS A 88 -5.479 -1.469 13.266 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.782 -0.886 15.383 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.932 -2.791 16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.447 -3.850 15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.016 -2.855 15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.812 -2.685 17.430 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.158 -4.851 17.715 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.614 -5.205 16.806 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.201 -5.089 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.785 -4.984 15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.008 -7.235 15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.647 -7.110 16.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.690 -7.237 15.450 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.290 -1.329 12.588 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.418 -1.533 11.447 1.00 0.00 C ATOM 1324 C ILE A 89 -1.079 -0.826 11.643 1.00 0.00 C ATOM 1325 O ILE A 89 -0.144 -1.404 12.192 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.066 -1.057 10.137 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.419 -1.746 9.929 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.129 -1.343 8.978 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.204 -1.218 8.745 1.00 0.00 C ATOM 0 H ILE A 89 -4.003 -0.611 12.460 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.247 -2.607 11.373 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.243 0.017 10.190 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.254 -2.815 9.795 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.018 -1.627 10.832 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.587 -1.006 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.188 -0.814 9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.938 -2.415 8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.148 -1.756 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.403 -0.155 8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.626 -1.362 7.832 1.00 0.00 H new ATOM 1341 N THR A 90 -0.998 0.425 11.189 1.00 0.00 N ATOM 1342 CA THR A 90 0.228 1.213 11.296 1.00 0.00 C ATOM 1343 C THR A 90 0.767 1.209 12.720 1.00 0.00 C ATOM 1344 O THR A 90 1.979 1.156 12.930 1.00 0.00 O ATOM 1345 CB THR A 90 -0.037 2.644 10.824 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.618 2.885 9.593 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.407 3.722 11.791 1.00 0.00 C ATOM 0 H THR A 90 -1.772 0.916 10.741 1.00 0.00 H new ATOM 0 HA THR A 90 0.987 0.760 10.658 1.00 0.00 H new ATOM 0 HB THR A 90 -1.122 2.706 10.734 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.360 3.509 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.179 4.702 11.373 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.119 3.600 12.738 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.481 3.640 11.959 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.132 1.294 13.695 1.00 0.00 N ATOM 1356 CA GLY A 91 0.294 1.262 15.077 1.00 0.00 C ATOM 1357 C GLY A 91 1.114 0.025 15.358 1.00 0.00 C ATOM 1358 O GLY A 91 2.055 0.049 16.152 1.00 0.00 O ATOM 0 H GLY A 91 -1.138 1.384 13.553 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.882 2.152 15.302 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.578 1.282 15.731 1.00 0.00 H new ATOM 1362 N MET A 92 0.781 -1.049 14.655 1.00 0.00 N ATOM 1363 CA MET A 92 1.501 -2.305 14.797 1.00 0.00 C ATOM 1364 C MET A 92 2.763 -2.291 13.947 1.00 0.00 C ATOM 1365 O MET A 92 3.728 -2.991 14.242 1.00 0.00 O ATOM 1366 CB MET A 92 0.607 -3.481 14.398 1.00 0.00 C ATOM 1367 CG MET A 92 1.272 -4.481 13.468 1.00 0.00 C ATOM 1368 SD MET A 92 0.724 -6.171 13.746 1.00 0.00 S ATOM 1369 CE MET A 92 -0.580 -6.274 12.531 1.00 0.00 C ATOM 0 H MET A 92 0.016 -1.075 13.981 1.00 0.00 H new ATOM 0 HA MET A 92 1.786 -2.424 15.842 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.284 -4.000 15.300 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.290 -3.093 13.915 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.063 -4.203 12.435 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.353 -4.429 13.600 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.292 -7.045 12.826 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.092 -5.314 12.464 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.154 -6.526 11.560 1.00 0.00 H new ATOM 1379 N LEU A 93 2.744 -1.487 12.891 1.00 0.00 N ATOM 1380 CA LEU A 93 3.886 -1.373 11.998 1.00 0.00 C ATOM 1381 C LEU A 93 5.116 -0.895 12.755 1.00 0.00 C ATOM 1382 O LEU A 93 6.221 -0.866 12.215 1.00 0.00 O ATOM 1383 CB LEU A 93 3.566 -0.415 10.860 1.00 0.00 C ATOM 1384 CG LEU A 93 2.939 -1.061 9.620 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.928 -2.003 8.951 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.664 -1.798 9.992 1.00 0.00 C ATOM 0 H LEU A 93 1.948 -0.904 12.633 1.00 0.00 H new ATOM 0 HA LEU A 93 4.099 -2.358 11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.888 0.353 11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.485 0.089 10.562 1.00 0.00 H new ATOM 0 HG LEU A 93 2.685 -0.273 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.465 -2.452 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.814 -1.445 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.214 -2.787 9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.232 -2.251 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.893 -2.577 10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.951 -1.096 10.424 1.00 0.00 H new ATOM 1398 N LEU A 94 4.915 -0.515 14.010 1.00 0.00 N ATOM 1399 CA LEU A 94 6.015 -0.109 14.862 1.00 0.00 C ATOM 1400 C LEU A 94 6.289 -1.212 15.874 1.00 0.00 C ATOM 1401 O LEU A 94 6.759 -0.961 16.984 1.00 0.00 O ATOM 1402 CB LEU A 94 5.683 1.207 15.565 1.00 0.00 C ATOM 1403 CG LEU A 94 6.303 2.455 14.926 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.781 2.546 15.272 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.103 2.447 13.414 1.00 0.00 C ATOM 0 H LEU A 94 3.999 -0.481 14.457 1.00 0.00 H new ATOM 0 HA LEU A 94 6.909 0.053 14.259 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.600 1.328 15.586 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.017 1.143 16.601 1.00 0.00 H new ATOM 0 HG LEU A 94 5.798 3.334 15.327 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.208 3.437 14.812 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.898 2.605 16.354 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.297 1.662 14.899 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.551 3.342 12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.578 1.563 12.989 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.037 2.430 13.188 1.00 0.00 H new ATOM 1417 N GLU A 95 5.955 -2.438 15.475 1.00 0.00 N ATOM 1418 CA GLU A 95 6.130 -3.604 16.330 1.00 0.00 C ATOM 1419 C GLU A 95 5.991 -4.906 15.537 1.00 0.00 C ATOM 1420 O GLU A 95 6.125 -5.993 16.099 1.00 0.00 O ATOM 1421 CB GLU A 95 5.113 -3.580 17.476 1.00 0.00 C ATOM 1422 CG GLU A 95 3.715 -4.021 17.066 1.00 0.00 C ATOM 1423 CD GLU A 95 2.801 -4.238 18.255 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.754 -3.355 19.138 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.129 -5.290 18.303 1.00 0.00 O ATOM 0 H GLU A 95 5.559 -2.647 14.558 1.00 0.00 H new ATOM 0 HA GLU A 95 7.138 -3.564 16.742 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.468 -4.228 18.278 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.061 -2.570 17.882 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.278 -3.268 16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.783 -4.945 16.491 1.00 0.00 H new ATOM 1432 N ILE A 96 5.771 -4.793 14.223 1.00 0.00 N ATOM 1433 CA ILE A 96 5.623 -5.979 13.368 1.00 0.00 C ATOM 1434 C ILE A 96 6.898 -6.824 13.346 1.00 0.00 C ATOM 1435 O ILE A 96 7.687 -6.818 14.290 1.00 0.00 O ATOM 1436 CB ILE A 96 5.293 -5.611 11.900 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.467 -4.879 11.235 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.021 -4.793 11.797 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.866 -3.593 11.914 1.00 0.00 C ATOM 0 H ILE A 96 5.692 -3.903 13.731 1.00 0.00 H new ATOM 0 HA ILE A 96 4.798 -6.542 13.803 1.00 0.00 H new ATOM 0 HB ILE A 96 5.127 -6.546 11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.329 -5.546 11.212 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.204 -4.662 10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.825 -4.556 10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.186 -5.365 12.202 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.136 -3.869 12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.702 -3.143 11.378 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.021 -2.904 11.913 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.163 -3.801 12.942 1.00 0.00 H new ATOM 1451 N ASP A 97 7.099 -7.525 12.229 1.00 0.00 N ATOM 1452 CA ASP A 97 8.280 -8.350 12.020 1.00 0.00 C ATOM 1453 C ASP A 97 9.556 -7.515 12.107 1.00 0.00 C ATOM 1454 O ASP A 97 10.663 -8.046 12.009 1.00 0.00 O ATOM 1455 CB ASP A 97 8.190 -9.015 10.646 1.00 0.00 C ATOM 1456 CG ASP A 97 8.832 -10.389 10.620 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.937 -10.539 11.180 1.00 0.00 O ATOM 1458 OD2 ASP A 97 8.227 -11.315 10.038 1.00 0.00 O ATOM 0 H ASP A 97 6.445 -7.534 11.446 1.00 0.00 H new ATOM 0 HA ASP A 97 8.319 -9.109 12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.143 -9.102 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.674 -8.378 9.906 1.00 0.00 H new ATOM 1463 N ASN A 98 9.377 -6.203 12.272 1.00 0.00 N ATOM 1464 CA ASN A 98 10.482 -5.253 12.386 1.00 0.00 C ATOM 1465 C ASN A 98 11.067 -4.909 11.022 1.00 0.00 C ATOM 1466 O ASN A 98 11.583 -3.810 10.818 1.00 0.00 O ATOM 1467 CB ASN A 98 11.579 -5.778 13.317 1.00 0.00 C ATOM 1468 CG ASN A 98 11.512 -5.157 14.698 1.00 0.00 C ATOM 1469 OD1 ASN A 98 12.341 -4.322 15.058 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.520 -5.565 15.483 1.00 0.00 N ATOM 0 H ASN A 98 8.456 -5.769 12.330 1.00 0.00 H new ATOM 0 HA ASN A 98 10.073 -4.341 12.821 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.490 -6.861 13.404 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.555 -5.573 12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.424 -5.183 16.424 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.854 -6.260 15.144 1.00 0.00 H new ATOM 1477 N SER A 99 10.979 -5.846 10.088 1.00 0.00 N ATOM 1478 CA SER A 99 11.470 -5.614 8.735 1.00 0.00 C ATOM 1479 C SER A 99 10.508 -4.706 7.986 1.00 0.00 C ATOM 1480 O SER A 99 10.913 -3.902 7.150 1.00 0.00 O ATOM 1481 CB SER A 99 11.640 -6.935 7.987 1.00 0.00 C ATOM 1482 OG SER A 99 10.794 -6.994 6.851 1.00 0.00 O ATOM 0 H SER A 99 10.574 -6.770 10.240 1.00 0.00 H new ATOM 0 HA SER A 99 12.445 -5.130 8.797 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.679 -7.049 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.414 -7.766 8.655 1.00 0.00 H new ATOM 0 HG SER A 99 10.924 -7.849 6.390 1.00 0.00 H new ATOM 1488 N GLU A 100 9.228 -4.836 8.315 1.00 0.00 N ATOM 1489 CA GLU A 100 8.194 -4.005 7.716 1.00 0.00 C ATOM 1490 C GLU A 100 8.260 -2.598 8.290 1.00 0.00 C ATOM 1491 O GLU A 100 7.833 -1.639 7.653 1.00 0.00 O ATOM 1492 CB GLU A 100 6.819 -4.621 7.954 1.00 0.00 C ATOM 1493 CG GLU A 100 6.828 -6.137 7.902 1.00 0.00 C ATOM 1494 CD GLU A 100 5.640 -6.707 7.152 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.652 -5.966 6.952 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.694 -7.893 6.765 1.00 0.00 O ATOM 0 H GLU A 100 8.882 -5.512 8.996 1.00 0.00 H new ATOM 0 HA GLU A 100 8.362 -3.948 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.447 -4.299 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.123 -4.242 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.748 -6.474 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.833 -6.531 8.918 1.00 0.00 H new ATOM 1503 N LEU A 101 8.830 -2.486 9.487 1.00 0.00 N ATOM 1504 CA LEU A 101 9.013 -1.194 10.130 1.00 0.00 C ATOM 1505 C LEU A 101 10.159 -0.441 9.463 1.00 0.00 C ATOM 1506 O LEU A 101 10.216 0.787 9.491 1.00 0.00 O ATOM 1507 CB LEU A 101 9.302 -1.381 11.624 1.00 0.00 C ATOM 1508 CG LEU A 101 10.150 -0.283 12.275 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.287 0.917 12.629 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.859 -0.820 13.510 1.00 0.00 C ATOM 0 H LEU A 101 9.173 -3.278 10.030 1.00 0.00 H new ATOM 0 HA LEU A 101 8.097 -0.613 10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.352 -1.445 12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.809 -2.336 11.761 1.00 0.00 H new ATOM 0 HG LEU A 101 10.906 0.040 11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.906 1.687 13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.828 1.315 11.724 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.508 0.611 13.327 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.457 -0.027 13.960 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.120 -1.170 14.230 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.509 -1.647 13.225 1.00 0.00 H new ATOM 1522 N LEU A 102 11.074 -1.199 8.867 1.00 0.00 N ATOM 1523 CA LEU A 102 12.234 -0.625 8.195 1.00 0.00 C ATOM 1524 C LEU A 102 11.925 -0.303 6.741 1.00 0.00 C ATOM 1525 O LEU A 102 12.262 0.774 6.247 1.00 0.00 O ATOM 1526 CB LEU A 102 13.412 -1.599 8.259 1.00 0.00 C ATOM 1527 CG LEU A 102 14.507 -1.228 9.262 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.036 -1.482 10.686 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.780 -2.008 8.972 1.00 0.00 C ATOM 0 H LEU A 102 11.034 -2.218 8.836 1.00 0.00 H new ATOM 0 HA LEU A 102 12.493 0.301 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.032 -2.589 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.858 -1.671 7.267 1.00 0.00 H new ATOM 0 HG LEU A 102 14.724 -0.165 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.828 -1.212 11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.151 -0.879 10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.791 -2.537 10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.548 -1.732 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.577 -3.076 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.128 -1.775 7.966 1.00 0.00 H new ATOM 1541 N HIS A 103 11.310 -1.255 6.050 1.00 0.00 N ATOM 1542 CA HIS A 103 10.980 -1.082 4.647 1.00 0.00 C ATOM 1543 C HIS A 103 9.991 0.062 4.454 1.00 0.00 C ATOM 1544 O HIS A 103 10.123 0.855 3.523 1.00 0.00 O ATOM 1545 CB HIS A 103 10.405 -2.383 4.089 1.00 0.00 C ATOM 1546 CG HIS A 103 10.986 -2.777 2.767 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.437 -1.834 1.872 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.168 -4.011 2.238 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.880 -2.510 0.827 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.736 -3.831 1.004 1.00 0.00 N ATOM 0 H HIS A 103 11.031 -2.154 6.442 1.00 0.00 H new ATOM 0 HA HIS A 103 11.891 -0.830 4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.580 -3.185 4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.325 -2.278 3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.914 -4.954 2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.304 -2.056 -0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.999 -4.564 0.345 1.00 0.00 H new ATOM 1558 N MET A 104 9.005 0.143 5.344 1.00 0.00 N ATOM 1559 CA MET A 104 7.988 1.183 5.275 1.00 0.00 C ATOM 1560 C MET A 104 8.615 2.574 5.277 1.00 0.00 C ATOM 1561 O MET A 104 8.085 3.501 4.667 1.00 0.00 O ATOM 1562 CB MET A 104 7.035 1.054 6.464 1.00 0.00 C ATOM 1563 CG MET A 104 7.722 1.263 7.799 1.00 0.00 C ATOM 1564 SD MET A 104 6.691 2.143 8.985 1.00 0.00 S ATOM 1565 CE MET A 104 5.099 1.399 8.649 1.00 0.00 C ATOM 0 H MET A 104 8.891 -0.504 6.124 1.00 0.00 H new ATOM 0 HA MET A 104 7.439 1.055 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.230 1.781 6.358 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.576 0.066 6.449 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.000 0.295 8.215 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.646 1.820 7.644 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.427 1.585 9.486 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.678 1.834 7.742 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.221 0.324 8.513 1.00 0.00 H new ATOM 1575 N LEU A 105 9.725 2.719 5.994 1.00 0.00 N ATOM 1576 CA LEU A 105 10.413 4.000 6.084 1.00 0.00 C ATOM 1577 C LEU A 105 11.399 4.171 4.941 1.00 0.00 C ATOM 1578 O LEU A 105 11.968 5.247 4.757 1.00 0.00 O ATOM 1579 CB LEU A 105 11.160 4.116 7.415 1.00 0.00 C ATOM 1580 CG LEU A 105 10.388 3.629 8.640 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.281 3.640 9.872 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.156 4.487 8.863 1.00 0.00 C ATOM 0 H LEU A 105 10.166 1.965 6.521 1.00 0.00 H new ATOM 0 HA LEU A 105 9.659 4.784 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.089 3.550 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.434 5.160 7.570 1.00 0.00 H new ATOM 0 HG LEU A 105 10.065 2.603 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.715 3.290 10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.135 2.983 9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.634 4.655 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.616 4.128 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.458 5.522 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.508 4.428 7.988 1.00 0.00 H new ATOM 1594 N GLU A 106 11.607 3.104 4.179 1.00 0.00 N ATOM 1595 CA GLU A 106 12.581 3.138 3.100 1.00 0.00 C ATOM 1596 C GLU A 106 11.932 3.062 1.716 1.00 0.00 C ATOM 1597 O GLU A 106 12.615 3.227 0.704 1.00 0.00 O ATOM 1598 CB GLU A 106 13.590 1.996 3.279 1.00 0.00 C ATOM 1599 CG GLU A 106 13.255 0.744 2.484 1.00 0.00 C ATOM 1600 CD GLU A 106 14.306 -0.339 2.631 1.00 0.00 C ATOM 1601 OE1 GLU A 106 14.247 -1.093 3.626 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.188 -0.433 1.753 1.00 0.00 O ATOM 0 H GLU A 106 11.119 2.215 4.288 1.00 0.00 H new ATOM 0 HA GLU A 106 13.094 4.098 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.578 2.348 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.647 1.738 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.291 0.356 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.151 1.004 1.431 1.00 0.00 H new ATOM 1609 N SER A 107 10.625 2.814 1.660 1.00 0.00 N ATOM 1610 CA SER A 107 9.938 2.708 0.374 1.00 0.00 C ATOM 1611 C SER A 107 8.559 3.365 0.412 1.00 0.00 C ATOM 1612 O SER A 107 7.766 3.110 1.318 1.00 0.00 O ATOM 1613 CB SER A 107 9.801 1.240 -0.026 1.00 0.00 C ATOM 1614 OG SER A 107 9.922 1.078 -1.429 1.00 0.00 O ATOM 0 H SER A 107 10.028 2.684 2.477 1.00 0.00 H new ATOM 0 HA SER A 107 10.539 3.236 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.566 0.650 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.835 0.859 0.305 1.00 0.00 H new ATOM 0 HG SER A 107 9.832 0.129 -1.658 1.00 0.00 H new ATOM 1620 N PRO A 108 8.244 4.210 -0.594 1.00 0.00 N ATOM 1621 CA PRO A 108 6.949 4.897 -0.680 1.00 0.00 C ATOM 1622 C PRO A 108 5.802 3.928 -0.944 1.00 0.00 C ATOM 1623 O PRO A 108 4.648 4.332 -1.078 1.00 0.00 O ATOM 1624 CB PRO A 108 7.116 5.859 -1.866 1.00 0.00 C ATOM 1625 CG PRO A 108 8.581 5.899 -2.147 1.00 0.00 C ATOM 1626 CD PRO A 108 9.122 4.568 -1.717 1.00 0.00 C ATOM 0 HA PRO A 108 6.698 5.400 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.559 5.509 -2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.736 6.851 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.770 6.073 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.061 6.710 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.073 3.832 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.166 4.635 -1.410 1.00 0.00 H new ATOM 1634 N GLU A 109 6.135 2.646 -1.028 1.00 0.00 N ATOM 1635 CA GLU A 109 5.143 1.606 -1.269 1.00 0.00 C ATOM 1636 C GLU A 109 5.247 0.518 -0.216 1.00 0.00 C ATOM 1637 O GLU A 109 4.371 -0.336 -0.110 1.00 0.00 O ATOM 1638 CB GLU A 109 5.339 1.004 -2.660 1.00 0.00 C ATOM 1639 CG GLU A 109 5.251 2.026 -3.780 1.00 0.00 C ATOM 1640 CD GLU A 109 5.053 1.384 -5.141 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.476 0.278 -5.196 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.473 1.987 -6.149 1.00 0.00 O ATOM 0 H GLU A 109 7.090 2.300 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 109 4.151 2.055 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.312 0.514 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.586 0.233 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.425 2.708 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.162 2.624 -3.794 1.00 0.00 H new ATOM 1649 N SER A 110 6.321 0.550 0.564 1.00 0.00 N ATOM 1650 CA SER A 110 6.494 -0.407 1.642 1.00 0.00 C ATOM 1651 C SER A 110 5.583 -0.037 2.792 1.00 0.00 C ATOM 1652 O SER A 110 4.851 -0.869 3.309 1.00 0.00 O ATOM 1653 CB SER A 110 7.943 -0.447 2.111 1.00 0.00 C ATOM 1654 OG SER A 110 8.630 -1.547 1.541 1.00 0.00 O ATOM 0 H SER A 110 7.079 1.225 0.469 1.00 0.00 H new ATOM 0 HA SER A 110 6.234 -1.400 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.444 0.481 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.975 -0.517 3.198 1.00 0.00 H new ATOM 0 HG SER A 110 9.573 -1.313 1.412 1.00 0.00 H new ATOM 1660 N LEU A 111 5.582 1.240 3.132 1.00 0.00 N ATOM 1661 CA LEU A 111 4.704 1.759 4.164 1.00 0.00 C ATOM 1662 C LEU A 111 3.280 1.245 3.935 1.00 0.00 C ATOM 1663 O LEU A 111 2.538 0.997 4.881 1.00 0.00 O ATOM 1664 CB LEU A 111 4.757 3.293 4.111 1.00 0.00 C ATOM 1665 CG LEU A 111 4.271 4.066 5.348 1.00 0.00 C ATOM 1666 CD1 LEU A 111 2.928 3.554 5.842 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.311 4.017 6.453 1.00 0.00 C ATOM 0 H LEU A 111 6.186 1.942 2.703 1.00 0.00 H new ATOM 0 HA LEU A 111 5.024 1.423 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.788 3.587 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.165 3.620 3.256 1.00 0.00 H new ATOM 0 HG LEU A 111 4.131 5.106 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.620 4.126 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.183 3.667 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.016 2.501 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.948 4.570 7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.494 2.980 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.239 4.466 6.099 1.00 0.00 H new ATOM 1679 N ARG A 112 2.943 1.006 2.672 1.00 0.00 N ATOM 1680 CA ARG A 112 1.614 0.524 2.310 1.00 0.00 C ATOM 1681 C ARG A 112 1.572 -0.987 2.177 1.00 0.00 C ATOM 1682 O ARG A 112 0.863 -1.661 2.921 1.00 0.00 O ATOM 1683 CB ARG A 112 1.177 1.178 1.012 1.00 0.00 C ATOM 1684 CG ARG A 112 0.896 2.644 1.205 1.00 0.00 C ATOM 1685 CD ARG A 112 0.852 3.392 -0.115 1.00 0.00 C ATOM 1686 NE ARG A 112 1.179 4.807 0.044 1.00 0.00 N ATOM 1687 CZ ARG A 112 1.529 5.601 -0.964 1.00 0.00 C ATOM 1688 NH1 ARG A 112 1.603 5.118 -2.198 1.00 0.00 N ATOM 1689 NH2 ARG A 112 1.810 6.876 -0.738 1.00 0.00 N ATOM 0 H ARG A 112 3.573 1.138 1.880 1.00 0.00 H new ATOM 0 HA ARG A 112 0.927 0.795 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.954 1.051 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.283 0.681 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.055 2.766 1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.665 3.080 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.553 2.935 -0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.142 3.297 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 112 1.136 5.209 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.391 4.136 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.872 5.729 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.758 7.249 0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.078 7.484 -1.512 1.00 0.00 H new ATOM 1703 N SER A 113 2.312 -1.515 1.211 1.00 0.00 N ATOM 1704 CA SER A 113 2.368 -2.953 0.997 1.00 0.00 C ATOM 1705 C SER A 113 2.565 -3.669 2.325 1.00 0.00 C ATOM 1706 O SER A 113 2.119 -4.799 2.506 1.00 0.00 O ATOM 1707 CB SER A 113 3.502 -3.309 0.033 1.00 0.00 C ATOM 1708 OG SER A 113 3.491 -4.691 -0.280 1.00 0.00 O ATOM 0 H SER A 113 2.881 -0.969 0.564 1.00 0.00 H new ATOM 0 HA SER A 113 1.425 -3.276 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.402 -2.725 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.460 -3.042 0.479 1.00 0.00 H new ATOM 0 HG SER A 113 4.224 -4.892 -0.898 1.00 0.00 H new ATOM 1714 N LYS A 114 3.268 -3.006 3.239 1.00 0.00 N ATOM 1715 CA LYS A 114 3.492 -3.550 4.573 1.00 0.00 C ATOM 1716 C LYS A 114 2.282 -3.316 5.464 1.00 0.00 C ATOM 1717 O LYS A 114 1.911 -4.184 6.250 1.00 0.00 O ATOM 1718 CB LYS A 114 4.739 -2.945 5.216 1.00 0.00 C ATOM 1719 CG LYS A 114 6.022 -3.247 4.458 1.00 0.00 C ATOM 1720 CD LYS A 114 6.370 -4.725 4.507 1.00 0.00 C ATOM 1721 CE LYS A 114 6.982 -5.198 3.198 1.00 0.00 C ATOM 1722 NZ LYS A 114 5.984 -5.215 2.093 1.00 0.00 N ATOM 0 H LYS A 114 3.692 -2.092 3.080 1.00 0.00 H new ATOM 0 HA LYS A 114 3.647 -4.624 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.614 -1.864 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.831 -3.322 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.914 -2.933 3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.841 -2.666 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.069 -4.908 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.472 -5.304 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.812 -4.545 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.394 -6.198 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.303 -5.866 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.065 -5.533 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.887 -4.258 1.698 1.00 0.00 H new ATOM 1736 N VAL A 115 1.683 -2.125 5.366 1.00 0.00 N ATOM 1737 CA VAL A 115 0.510 -1.806 6.174 1.00 0.00 C ATOM 1738 C VAL A 115 -0.658 -2.715 5.795 1.00 0.00 C ATOM 1739 O VAL A 115 -1.100 -3.529 6.604 1.00 0.00 O ATOM 1740 CB VAL A 115 0.111 -0.317 6.042 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.397 -0.129 6.105 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.787 0.504 7.130 1.00 0.00 C ATOM 0 H VAL A 115 1.988 -1.377 4.743 1.00 0.00 H new ATOM 0 HA VAL A 115 0.768 -1.981 7.219 1.00 0.00 H new ATOM 0 HB VAL A 115 0.447 0.030 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.636 0.930 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.867 -0.682 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.770 -0.500 7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.499 1.550 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.478 0.136 8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.869 0.414 7.034 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.116 -2.611 4.547 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.213 -3.444 4.060 1.00 0.00 C ATOM 1754 C ASP A 116 -1.976 -4.916 4.395 1.00 0.00 C ATOM 1755 O ASP A 116 -2.906 -5.634 4.770 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.370 -3.273 2.547 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.591 -3.987 2.001 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.647 -5.231 2.099 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.490 -3.304 1.468 1.00 0.00 O ATOM 0 H ASP A 116 -0.744 -1.959 3.857 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.129 -3.123 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.439 -2.211 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.479 -3.653 2.048 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.729 -5.363 4.261 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.382 -6.748 4.563 1.00 0.00 C ATOM 1766 C GLU A 117 -0.389 -6.982 6.065 1.00 0.00 C ATOM 1767 O GLU A 117 -0.769 -8.055 6.534 1.00 0.00 O ATOM 1768 CB GLU A 117 0.992 -7.096 3.988 1.00 0.00 C ATOM 1769 CG GLU A 117 0.954 -7.615 2.557 1.00 0.00 C ATOM 1770 CD GLU A 117 -0.319 -7.242 1.821 1.00 0.00 C ATOM 1771 OE1 GLU A 117 -0.448 -6.069 1.415 1.00 0.00 O ATOM 1772 OE2 GLU A 117 -1.188 -8.124 1.652 1.00 0.00 O ATOM 0 H GLU A 117 0.053 -4.789 3.947 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.129 -7.394 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.625 -6.209 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.460 -7.848 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.811 -7.220 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.055 -8.700 2.568 1.00 0.00 H new ATOM 1779 N ALA A 118 0.032 -5.971 6.817 1.00 0.00 N ATOM 1780 CA ALA A 118 0.037 -6.063 8.267 1.00 0.00 C ATOM 1781 C ALA A 118 -1.383 -6.186 8.779 1.00 0.00 C ATOM 1782 O ALA A 118 -1.619 -6.748 9.841 1.00 0.00 O ATOM 1783 CB ALA A 118 0.728 -4.865 8.895 1.00 0.00 C ATOM 0 H ALA A 118 0.372 -5.084 6.446 1.00 0.00 H new ATOM 0 HA ALA A 118 0.598 -6.953 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.714 -4.965 9.980 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.760 -4.817 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.206 -3.952 8.608 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.329 -5.666 8.004 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.733 -5.764 8.355 1.00 0.00 C ATOM 1791 C VAL A 119 -4.166 -7.208 8.365 1.00 0.00 C ATOM 1792 O VAL A 119 -4.819 -7.666 9.297 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.624 -5.006 7.381 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.027 -4.916 7.955 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.047 -3.637 7.090 1.00 0.00 C ATOM 0 H VAL A 119 -2.145 -5.173 7.130 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.841 -5.320 9.345 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.673 -5.541 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.670 -4.374 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.423 -5.920 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.997 -4.389 8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.697 -3.109 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.973 -3.069 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.055 -3.746 6.651 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.804 -7.917 7.309 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.113 -9.326 7.210 1.00 0.00 C ATOM 1807 C ALA A 120 -3.563 -10.052 8.428 1.00 0.00 C ATOM 1808 O ALA A 120 -4.072 -11.093 8.841 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.522 -9.891 5.929 1.00 0.00 C ATOM 0 H ALA A 120 -3.296 -7.537 6.510 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.194 -9.466 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.757 -10.953 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.945 -9.367 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.440 -9.758 5.938 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.528 -9.458 9.009 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.896 -9.979 10.208 1.00 0.00 C ATOM 1817 C VAL A 121 -2.612 -9.449 11.451 1.00 0.00 C ATOM 1818 O VAL A 121 -2.741 -10.147 12.460 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.405 -9.580 10.239 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.148 -9.592 11.654 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.402 -10.495 9.332 1.00 0.00 C ATOM 0 H VAL A 121 -2.104 -8.599 8.658 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.966 -11.067 10.200 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.321 -8.558 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.200 -9.306 11.636 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.410 -8.885 12.269 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.051 -10.593 12.074 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.452 -10.204 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.301 -11.526 9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.032 -10.413 8.310 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.090 -8.212 11.357 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.828 -7.588 12.445 1.00 0.00 C ATOM 1833 C LEU A 122 -5.137 -8.333 12.658 1.00 0.00 C ATOM 1834 O LEU A 122 -5.615 -8.474 13.782 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.079 -6.107 12.135 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.524 -5.627 12.302 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.742 -5.083 13.701 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.857 -4.569 11.265 1.00 0.00 C ATOM 0 H LEU A 122 -2.978 -7.621 10.533 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.242 -7.641 13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.439 -5.506 12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.768 -5.912 11.109 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.189 -6.478 12.153 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.773 -4.746 13.804 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.542 -5.867 14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.067 -4.245 13.875 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.887 -4.240 11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.186 -3.718 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.737 -4.988 10.266 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.686 -8.833 11.558 1.00 0.00 N ATOM 1851 CA GLN A 123 -6.910 -9.614 11.592 1.00 0.00 C ATOM 1852 C GLN A 123 -6.595 -11.046 12.015 1.00 0.00 C ATOM 1853 O GLN A 123 -7.444 -11.750 12.560 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.580 -9.595 10.216 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.099 -8.223 9.813 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.603 -8.201 9.623 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.329 -7.575 10.394 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.078 -8.886 8.588 1.00 0.00 N ATOM 0 H GLN A 123 -5.296 -8.708 10.624 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.597 -9.178 12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.866 -9.939 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.409 -10.303 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.822 -7.495 10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.615 -7.913 8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.439 -9.391 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.082 -8.907 8.408 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.352 -11.454 11.773 1.00 0.00 N ATOM 1868 CA ALA A 124 -4.882 -12.783 12.152 1.00 0.00 C ATOM 1869 C ALA A 124 -4.328 -12.776 13.566 1.00 0.00 C ATOM 1870 O ALA A 124 -3.777 -13.767 14.034 1.00 0.00 O ATOM 1871 CB ALA A 124 -3.822 -13.264 11.177 1.00 0.00 C ATOM 0 H ALA A 124 -4.647 -10.878 11.312 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.730 -13.467 12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.480 -14.256 11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.244 -13.309 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.979 -12.573 11.185 1.00 0.00 H new