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 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 HIS : no HD1:sc= -0.525 X(o=-0.99,f=-0.85) USER MOD Set 2.2: A 110 SER OG : rot 100:sc= -0.462 USER MOD Set 3.1: A 88 LYS NZ :NH3+ -173:sc= -1.07 (180deg=-1) USER MOD Set 3.2: A 92 MET CE :methyl -110:sc= -6.64! (180deg=-8.74!) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= -0.862 USER MOD Set 4.2: A 57 MET CE :methyl 180:sc= -3.18! (180deg=-3.18!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -27:sc= 0.221 USER MOD Single : A 66 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.057) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0245) USER MOD Single : A 68 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 69 MET CE :methyl 156:sc= -1.03 (180deg=-1.27) USER MOD Single : A 79 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.49) USER MOD Single : A 81 MET CE :methyl -145:sc= -1.84 (180deg=-5.25!) USER MOD Single : A 82 HIS : no HD1:sc= -15.4! C(o=-15!,f=-17!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -90:sc= -3.43! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 99 SER OG : rot 104:sc= 0.439 USER MOD Single : A 104 MET CE :methyl 156:sc= -5.79! (180deg=-7.73!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.814 9.659 3.851 1.00 0.00 N ATOM 766 CA LEU A 53 1.923 9.232 4.700 1.00 0.00 C ATOM 767 C LEU A 53 2.668 8.052 4.075 1.00 0.00 C ATOM 768 O LEU A 53 2.049 7.115 3.571 1.00 0.00 O ATOM 769 CB LEU A 53 1.389 8.824 6.073 1.00 0.00 C ATOM 770 CG LEU A 53 1.929 9.603 7.284 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.280 9.058 7.716 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.019 11.093 6.993 1.00 0.00 C ATOM 0 HA LEU A 53 2.617 10.066 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.304 8.925 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.609 7.767 6.223 1.00 0.00 H new ATOM 0 HG LEU A 53 1.224 9.468 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.643 9.624 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.178 8.008 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.990 9.151 6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.404 11.612 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.689 11.259 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.028 11.477 6.750 1.00 0.00 H new ATOM 784 N THR A 54 3.998 8.109 4.111 1.00 0.00 N ATOM 785 CA THR A 54 4.836 7.034 3.577 1.00 0.00 C ATOM 786 C THR A 54 6.303 7.283 3.905 1.00 0.00 C ATOM 787 O THR A 54 6.637 8.242 4.601 1.00 0.00 O ATOM 788 CB THR A 54 4.670 6.893 2.057 1.00 0.00 C ATOM 789 OG1 THR A 54 3.690 7.791 1.565 1.00 0.00 O ATOM 790 CG2 THR A 54 4.276 5.494 1.626 1.00 0.00 C ATOM 0 H THR A 54 4.521 8.891 4.506 1.00 0.00 H new ATOM 0 HA THR A 54 4.511 6.107 4.049 1.00 0.00 H new ATOM 0 HB THR A 54 5.651 7.123 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.604 7.682 0.595 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.175 5.462 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.044 4.787 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.325 5.226 2.087 1.00 0.00 H new ATOM 798 N ALA A 55 7.174 6.419 3.387 1.00 0.00 N ATOM 799 CA ALA A 55 8.610 6.533 3.625 1.00 0.00 C ATOM 800 C ALA A 55 9.116 7.941 3.337 1.00 0.00 C ATOM 801 O ALA A 55 9.881 8.504 4.120 1.00 0.00 O ATOM 802 CB ALA A 55 9.368 5.520 2.785 1.00 0.00 C ATOM 0 H ALA A 55 6.908 5.630 2.798 1.00 0.00 H new ATOM 0 HA ALA A 55 8.788 6.324 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.437 5.618 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.044 4.513 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.168 5.701 1.729 1.00 0.00 H new ATOM 808 N SER A 56 8.696 8.503 2.208 1.00 0.00 N ATOM 809 CA SER A 56 9.111 9.848 1.828 1.00 0.00 C ATOM 810 C SER A 56 8.768 10.848 2.925 1.00 0.00 C ATOM 811 O SER A 56 9.592 11.684 3.296 1.00 0.00 O ATOM 812 CB SER A 56 8.444 10.263 0.517 1.00 0.00 C ATOM 813 OG SER A 56 8.691 9.314 -0.506 1.00 0.00 O ATOM 0 H SER A 56 8.070 8.049 1.542 1.00 0.00 H new ATOM 0 HA SER A 56 10.192 9.842 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.370 10.366 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.818 11.239 0.209 1.00 0.00 H new ATOM 0 HG SER A 56 8.252 9.603 -1.333 1.00 0.00 H new ATOM 819 N MET A 57 7.550 10.746 3.448 1.00 0.00 N ATOM 820 CA MET A 57 7.102 11.626 4.520 1.00 0.00 C ATOM 821 C MET A 57 7.994 11.468 5.743 1.00 0.00 C ATOM 822 O MET A 57 8.372 12.449 6.382 1.00 0.00 O ATOM 823 CB MET A 57 5.656 11.302 4.896 1.00 0.00 C ATOM 824 CG MET A 57 4.618 11.883 3.947 1.00 0.00 C ATOM 825 SD MET A 57 5.266 12.211 2.295 1.00 0.00 S ATOM 826 CE MET A 57 5.036 10.611 1.524 1.00 0.00 C ATOM 0 H MET A 57 6.856 10.062 3.146 1.00 0.00 H new ATOM 0 HA MET A 57 7.161 12.656 4.168 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.535 10.219 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.462 11.676 5.901 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.779 11.192 3.870 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.229 12.810 4.368 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.390 10.649 0.494 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.600 9.858 2.074 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.978 10.351 1.535 1.00 0.00 H new ATOM 836 N LEU A 58 8.322 10.222 6.060 1.00 0.00 N ATOM 837 CA LEU A 58 9.180 9.919 7.195 1.00 0.00 C ATOM 838 C LEU A 58 10.529 10.606 7.041 1.00 0.00 C ATOM 839 O LEU A 58 11.028 11.240 7.971 1.00 0.00 O ATOM 840 CB LEU A 58 9.379 8.403 7.308 1.00 0.00 C ATOM 841 CG LEU A 58 8.186 7.592 7.840 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.980 8.478 8.138 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.816 6.506 6.842 1.00 0.00 C ATOM 0 H LEU A 58 8.004 9.402 5.543 1.00 0.00 H new ATOM 0 HA LEU A 58 8.701 10.288 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.640 8.019 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.234 8.219 7.959 1.00 0.00 H new ATOM 0 HG LEU A 58 8.487 7.132 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.161 7.864 8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.250 9.219 8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.667 8.985 7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.970 5.934 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.545 6.963 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.667 5.841 6.696 1.00 0.00 H new ATOM 855 N ALA A 59 11.105 10.485 5.850 1.00 0.00 N ATOM 856 CA ALA A 59 12.397 11.097 5.553 1.00 0.00 C ATOM 857 C ALA A 59 12.282 12.617 5.494 1.00 0.00 C ATOM 858 O ALA A 59 13.289 13.323 5.422 1.00 0.00 O ATOM 859 CB ALA A 59 12.944 10.557 4.241 1.00 0.00 C ATOM 0 H ALA A 59 10.697 9.967 5.072 1.00 0.00 H new ATOM 0 HA ALA A 59 13.088 10.841 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.908 11.021 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.070 9.477 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.247 10.786 3.435 1.00 0.00 H new ATOM 865 N SER A 60 11.049 13.114 5.518 1.00 0.00 N ATOM 866 CA SER A 60 10.800 14.550 5.459 1.00 0.00 C ATOM 867 C SER A 60 10.951 15.188 6.836 1.00 0.00 C ATOM 868 O SER A 60 10.948 16.413 6.966 1.00 0.00 O ATOM 869 CB SER A 60 9.397 14.823 4.912 1.00 0.00 C ATOM 870 OG SER A 60 9.159 16.214 4.787 1.00 0.00 O ATOM 0 H SER A 60 10.206 12.543 5.578 1.00 0.00 H new ATOM 0 HA SER A 60 11.538 14.993 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.283 14.343 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.653 14.382 5.575 1.00 0.00 H new ATOM 0 HG SER A 60 9.711 16.700 5.435 1.00 0.00 H new ATOM 876 N ALA A 61 11.085 14.352 7.861 1.00 0.00 N ATOM 877 CA ALA A 61 11.240 14.838 9.228 1.00 0.00 C ATOM 878 C ALA A 61 12.369 14.107 9.956 1.00 0.00 C ATOM 879 O ALA A 61 12.146 13.502 11.005 1.00 0.00 O ATOM 880 CB ALA A 61 9.930 14.686 9.988 1.00 0.00 C ATOM 0 H ALA A 61 11.089 13.336 7.771 1.00 0.00 H new ATOM 0 HA ALA A 61 11.505 15.894 9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.056 15.051 11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.151 15.263 9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.643 13.635 10.012 1.00 0.00 H new ATOM 946 N GLN A 66 10.601 10.661 11.735 1.00 0.00 N ATOM 947 CA GLN A 66 11.402 9.650 11.041 1.00 0.00 C ATOM 948 C GLN A 66 11.095 8.251 11.564 1.00 0.00 C ATOM 949 O GLN A 66 10.867 7.325 10.786 1.00 0.00 O ATOM 950 CB GLN A 66 12.898 9.940 11.177 1.00 0.00 C ATOM 951 CG GLN A 66 13.625 9.966 9.848 1.00 0.00 C ATOM 952 CD GLN A 66 14.969 9.266 9.905 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.992 9.829 9.516 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.973 8.031 10.393 1.00 0.00 N ATOM 0 HA GLN A 66 11.134 9.694 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.031 10.900 11.675 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.351 9.183 11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.004 9.491 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.771 11.001 9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.101 7.603 10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.848 7.511 10.457 1.00 0.00 H new ATOM 963 N LYS A 67 11.085 8.109 12.884 1.00 0.00 N ATOM 964 CA LYS A 67 10.800 6.830 13.518 1.00 0.00 C ATOM 965 C LYS A 67 9.683 6.967 14.551 1.00 0.00 C ATOM 966 O LYS A 67 9.602 6.182 15.497 1.00 0.00 O ATOM 967 CB LYS A 67 12.061 6.281 14.182 1.00 0.00 C ATOM 968 CG LYS A 67 12.652 7.207 15.233 1.00 0.00 C ATOM 969 CD LYS A 67 12.495 6.635 16.632 1.00 0.00 C ATOM 970 CE LYS A 67 12.216 7.727 17.652 1.00 0.00 C ATOM 971 NZ LYS A 67 13.304 8.743 17.690 1.00 0.00 N ATOM 0 H LYS A 67 11.272 8.869 13.538 1.00 0.00 H new ATOM 0 HA LYS A 67 10.469 6.135 12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.829 5.322 14.645 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.812 6.091 13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.709 7.370 15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.162 8.179 15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.681 5.911 16.641 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.402 6.098 16.911 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.272 8.215 17.412 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.102 7.280 18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.136 9.402 18.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.219 8.267 17.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.318 9.270 16.793 1.00 0.00 H new ATOM 985 N GLN A 68 8.811 7.959 14.359 1.00 0.00 N ATOM 986 CA GLN A 68 7.717 8.199 15.294 1.00 0.00 C ATOM 987 C GLN A 68 6.361 8.286 14.590 1.00 0.00 C ATOM 988 O GLN A 68 5.412 7.604 14.977 1.00 0.00 O ATOM 989 CB GLN A 68 7.976 9.486 16.079 1.00 0.00 C ATOM 990 CG GLN A 68 6.831 9.884 16.997 1.00 0.00 C ATOM 991 CD GLN A 68 7.312 10.436 18.324 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.029 11.582 18.671 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.047 9.622 19.072 1.00 0.00 N ATOM 0 H GLN A 68 8.843 8.604 13.569 1.00 0.00 H new ATOM 0 HA GLN A 68 7.679 7.349 15.975 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.881 9.362 16.674 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.165 10.298 15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.214 10.632 16.499 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.196 9.016 17.177 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.257 8.679 18.745 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.401 9.939 19.974 1.00 0.00 H new ATOM 1002 N MET A 69 6.263 9.151 13.581 1.00 0.00 N ATOM 1003 CA MET A 69 4.998 9.364 12.874 1.00 0.00 C ATOM 1004 C MET A 69 4.702 8.255 11.865 1.00 0.00 C ATOM 1005 O MET A 69 3.913 8.444 10.939 1.00 0.00 O ATOM 1006 CB MET A 69 5.014 10.717 12.160 1.00 0.00 C ATOM 1007 CG MET A 69 5.975 10.779 10.982 1.00 0.00 C ATOM 1008 SD MET A 69 5.287 11.660 9.568 1.00 0.00 S ATOM 1009 CE MET A 69 6.749 12.473 8.929 1.00 0.00 C ATOM 0 H MET A 69 7.040 9.714 13.235 1.00 0.00 H new ATOM 0 HA MET A 69 4.207 9.349 13.623 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.008 10.943 11.808 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.283 11.493 12.877 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.897 11.268 11.296 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.239 9.765 10.680 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.610 12.692 7.870 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.916 13.403 9.473 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.613 11.820 9.054 1.00 0.00 H new ATOM 1019 N LEU A 70 5.336 7.106 12.047 1.00 0.00 N ATOM 1020 CA LEU A 70 5.133 5.969 11.155 1.00 0.00 C ATOM 1021 C LEU A 70 3.989 5.105 11.652 1.00 0.00 C ATOM 1022 O LEU A 70 3.049 4.811 10.918 1.00 0.00 O ATOM 1023 CB LEU A 70 6.411 5.130 11.061 1.00 0.00 C ATOM 1024 CG LEU A 70 7.522 5.554 12.020 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.607 4.493 12.100 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.095 6.890 11.584 1.00 0.00 C ATOM 0 H LEU A 70 5.997 6.934 12.805 1.00 0.00 H new ATOM 0 HA LEU A 70 4.885 6.351 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.160 4.087 11.255 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.790 5.183 10.040 1.00 0.00 H new ATOM 0 HG LEU A 70 7.100 5.665 13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.386 4.820 12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.176 3.558 12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.039 4.339 11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.887 7.188 12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.503 6.800 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.307 7.643 11.590 1.00 0.00 H new ATOM 1038 N GLY A 71 4.076 4.700 12.907 1.00 0.00 N ATOM 1039 CA GLY A 71 3.031 3.892 13.487 1.00 0.00 C ATOM 1040 C GLY A 71 2.213 4.671 14.496 1.00 0.00 C ATOM 1041 O GLY A 71 1.508 4.086 15.319 1.00 0.00 O ATOM 0 H GLY A 71 4.851 4.917 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.377 3.521 12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.472 3.021 13.971 1.00 0.00 H new ATOM 1045 N GLU A 72 2.293 6.002 14.424 1.00 0.00 N ATOM 1046 CA GLU A 72 1.559 6.854 15.355 1.00 0.00 C ATOM 1047 C GLU A 72 0.877 8.029 14.653 1.00 0.00 C ATOM 1048 O GLU A 72 0.046 8.712 15.252 1.00 0.00 O ATOM 1049 CB GLU A 72 2.498 7.378 16.443 1.00 0.00 C ATOM 1050 CG GLU A 72 3.134 6.280 17.279 1.00 0.00 C ATOM 1051 CD GLU A 72 2.607 6.248 18.699 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.447 7.332 19.298 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.354 5.138 19.214 1.00 0.00 O ATOM 0 H GLU A 72 2.853 6.506 13.737 1.00 0.00 H new ATOM 0 HA GLU A 72 0.778 6.240 15.804 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.285 7.970 15.977 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.942 8.047 17.100 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.950 5.316 16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.214 6.424 17.300 1.00 0.00 H new ATOM 1060 N ARG A 73 1.203 8.251 13.382 1.00 0.00 N ATOM 1061 CA ARG A 73 0.613 9.353 12.631 1.00 0.00 C ATOM 1062 C ARG A 73 -0.007 8.858 11.331 1.00 0.00 C ATOM 1063 O ARG A 73 -0.803 9.560 10.706 1.00 0.00 O ATOM 1064 CB ARG A 73 1.675 10.406 12.330 1.00 0.00 C ATOM 1065 CG ARG A 73 1.175 11.835 12.471 1.00 0.00 C ATOM 1066 CD ARG A 73 0.566 12.347 11.176 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.451 13.368 11.416 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.173 14.614 11.785 1.00 0.00 C ATOM 1069 NH1 ARG A 73 1.087 14.996 11.953 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.155 15.483 11.986 1.00 0.00 N ATOM 0 H ARG A 73 1.868 7.686 12.854 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.175 9.797 13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.521 10.258 13.001 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.044 10.258 11.315 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.432 11.884 13.267 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.001 12.482 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.352 12.760 10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.122 11.515 10.630 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.430 13.110 11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.846 14.332 11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.296 15.953 12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.125 15.195 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.940 16.439 12.269 1.00 0.00 H new ATOM 1084 N LEU A 74 0.347 7.641 10.939 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.171 7.046 9.717 1.00 0.00 C ATOM 1086 C LEU A 74 -1.585 6.521 9.908 1.00 0.00 C ATOM 1087 O LEU A 74 -2.254 6.165 8.939 1.00 0.00 O ATOM 1088 CB LEU A 74 0.729 5.901 9.280 1.00 0.00 C ATOM 1089 CG LEU A 74 1.554 6.190 8.041 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.960 5.645 8.204 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.874 5.613 6.811 1.00 0.00 C ATOM 0 H LEU A 74 0.995 7.045 11.454 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.191 7.823 8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.402 5.651 10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.113 5.021 9.094 1.00 0.00 H new ATOM 0 HG LEU A 74 1.629 7.269 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.540 5.860 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.435 6.116 9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.917 4.567 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.476 5.827 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.769 4.534 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.112 6.063 6.696 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.016 6.439 11.159 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.339 5.910 11.474 1.00 0.00 C ATOM 1105 C PHE A 75 -4.433 6.566 10.619 1.00 0.00 C ATOM 1106 O PHE A 75 -5.199 5.866 9.956 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.653 6.078 12.966 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.083 5.775 13.317 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.712 4.649 12.808 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.798 6.623 14.146 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -7.032 4.378 13.119 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.115 6.352 14.467 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.732 5.228 13.955 1.00 0.00 C ATOM 0 H PHE A 75 -1.472 6.731 11.971 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.327 4.846 11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.999 5.423 13.542 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.423 7.101 13.264 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.166 3.977 12.162 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.322 7.506 14.546 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.515 3.503 12.709 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.661 7.019 15.118 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.760 5.013 14.207 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.534 7.913 10.616 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.559 8.618 9.835 1.00 0.00 C ATOM 1125 C PRO A 76 -5.398 8.397 8.334 1.00 0.00 C ATOM 1126 O PRO A 76 -6.252 8.798 7.543 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.337 10.096 10.181 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.531 10.087 11.435 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.684 8.852 11.368 1.00 0.00 C ATOM 0 HA PRO A 76 -6.560 8.260 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.811 10.614 9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.285 10.613 10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.913 10.982 11.509 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.176 10.072 12.314 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.738 9.038 10.859 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.443 8.473 12.361 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.297 7.760 7.948 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.018 7.503 6.540 1.00 0.00 C ATOM 1139 C LEU A 77 -4.406 6.081 6.139 1.00 0.00 C ATOM 1140 O LEU A 77 -4.882 5.856 5.027 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.534 7.742 6.240 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.071 9.201 6.305 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.119 10.141 5.724 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.745 9.577 7.737 1.00 0.00 C ATOM 0 H LEU A 77 -3.584 7.413 8.590 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.622 8.195 5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.941 7.160 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.316 7.355 5.245 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.170 9.302 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.760 11.168 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.302 9.882 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.046 10.046 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.417 10.616 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.633 9.455 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.950 8.931 8.111 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.186 5.119 7.035 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.516 3.728 6.741 1.00 0.00 C ATOM 1158 C ILE A 78 -6.005 3.567 6.475 1.00 0.00 C ATOM 1159 O ILE A 78 -6.406 2.839 5.569 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.136 2.773 7.880 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.830 3.207 8.551 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.035 1.350 7.347 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.608 3.033 7.679 1.00 0.00 C ATOM 0 H ILE A 78 -3.785 5.276 7.960 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.935 3.469 5.856 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.916 2.806 8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.912 4.255 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.695 2.633 9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.765 0.675 8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.996 1.049 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.272 1.306 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.723 3.362 8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.499 1.982 7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.719 3.629 6.773 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.816 4.235 7.292 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.268 4.179 7.159 1.00 0.00 C ATOM 1177 C GLN A 79 -8.694 4.425 5.713 1.00 0.00 C ATOM 1178 O GLN A 79 -9.817 4.111 5.318 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.914 5.222 8.071 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.418 4.654 9.388 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.963 5.723 10.316 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.722 5.695 11.522 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.706 6.670 9.757 1.00 0.00 N ATOM 0 H GLN A 79 -6.489 4.825 8.057 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.600 3.183 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.189 6.009 8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.747 5.687 7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.199 3.920 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.605 4.126 9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.881 6.655 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.102 7.413 10.332 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.790 5.012 4.939 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.039 5.303 3.532 1.00 0.00 C ATOM 1194 C ALA A 80 -7.738 4.090 2.654 1.00 0.00 C ATOM 1195 O ALA A 80 -8.456 3.814 1.693 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.204 6.493 3.087 1.00 0.00 C ATOM 0 H ALA A 80 -6.868 5.299 5.266 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.096 5.546 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.398 6.701 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.468 7.366 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.146 6.267 3.223 1.00 0.00 H new ATOM 1202 N MET A 81 -6.657 3.383 2.977 1.00 0.00 N ATOM 1203 CA MET A 81 -6.260 2.196 2.224 1.00 0.00 C ATOM 1204 C MET A 81 -7.203 1.039 2.513 1.00 0.00 C ATOM 1205 O MET A 81 -7.484 0.210 1.647 1.00 0.00 O ATOM 1206 CB MET A 81 -4.832 1.781 2.597 1.00 0.00 C ATOM 1207 CG MET A 81 -3.947 2.939 3.019 1.00 0.00 C ATOM 1208 SD MET A 81 -2.325 2.892 2.239 1.00 0.00 S ATOM 1209 CE MET A 81 -1.349 2.172 3.558 1.00 0.00 C ATOM 0 H MET A 81 -6.040 3.612 3.756 1.00 0.00 H new ATOM 0 HA MET A 81 -6.304 2.441 1.163 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.875 1.055 3.409 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.375 1.279 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.440 3.878 2.768 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.826 2.923 4.102 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.349 2.605 3.549 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.825 2.378 4.517 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.279 1.094 3.412 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.656 0.981 3.756 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.516 -0.094 4.222 1.00 0.00 C ATOM 1221 C HIS A 82 -9.833 0.461 4.746 1.00 0.00 C ATOM 1222 O HIS A 82 -9.904 1.627 5.120 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.788 -0.855 5.334 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.361 -1.131 5.017 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.401 -1.083 5.984 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.786 -1.464 3.838 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.266 -1.354 5.379 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.452 -1.614 4.082 1.00 0.00 N ATOM 0 H HIS A 82 -7.438 1.677 4.469 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.739 -0.766 3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.844 -0.278 6.257 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.302 -1.799 5.517 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.286 -1.587 2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.304 -1.365 5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.735 -1.874 3.405 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.899 -0.362 4.781 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.207 0.065 5.286 1.00 0.00 C ATOM 1238 C PRO A 83 -12.167 0.340 6.787 1.00 0.00 C ATOM 1239 O PRO A 83 -12.727 -0.415 7.583 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.129 -1.128 4.985 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.362 -1.997 4.042 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.913 -1.767 4.352 1.00 0.00 C ATOM 0 HA PRO A 83 -12.541 0.993 4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.383 -1.668 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.067 -0.797 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.627 -3.046 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.585 -1.740 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.555 -2.434 5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.280 -1.931 3.480 1.00 0.00 H new ATOM 1250 N THR A 84 -11.467 1.408 7.165 1.00 0.00 N ATOM 1251 CA THR A 84 -11.309 1.773 8.567 1.00 0.00 C ATOM 1252 C THR A 84 -10.796 0.586 9.381 1.00 0.00 C ATOM 1253 O THR A 84 -11.006 0.512 10.592 1.00 0.00 O ATOM 1254 CB THR A 84 -12.640 2.266 9.141 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.423 2.882 8.132 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.478 3.264 10.267 1.00 0.00 C ATOM 0 H THR A 84 -10.998 2.038 6.514 1.00 0.00 H new ATOM 0 HA THR A 84 -10.576 2.578 8.629 1.00 0.00 H new ATOM 0 HB THR A 84 -13.129 1.376 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.270 3.189 8.517 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.461 3.570 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.921 2.804 11.083 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.936 4.137 9.904 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.125 -0.343 8.701 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.591 -1.537 9.349 1.00 0.00 C ATOM 1266 C LEU A 85 -8.322 -1.218 10.131 1.00 0.00 C ATOM 1267 O LEU A 85 -7.702 -2.106 10.716 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.302 -2.619 8.309 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.220 -3.842 8.376 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.194 -3.843 7.208 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.400 -5.123 8.392 1.00 0.00 C ATOM 0 H LEU A 85 -9.939 -0.290 7.700 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.342 -1.903 10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.382 -2.178 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.271 -2.951 8.429 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.795 -3.791 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.838 -4.720 7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.804 -2.941 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.638 -3.869 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.069 -5.982 8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.798 -5.181 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.744 -5.124 9.263 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.942 0.055 10.133 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.755 0.504 10.855 1.00 0.00 C ATOM 1285 C ALA A 86 -6.949 0.350 12.363 1.00 0.00 C ATOM 1286 O ALA A 86 -7.437 -0.679 12.832 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.442 1.947 10.490 1.00 0.00 C ATOM 0 H ALA A 86 -8.440 0.797 9.641 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.909 -0.119 10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.555 2.275 11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.259 2.020 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.287 2.582 10.758 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.571 1.374 13.122 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.707 1.313 14.564 1.00 0.00 C ATOM 1295 C GLY A 87 -5.576 0.541 15.207 1.00 0.00 C ATOM 1296 O GLY A 87 -5.328 0.670 16.406 1.00 0.00 O ATOM 0 H GLY A 87 -6.174 2.243 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.732 2.325 14.969 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.657 0.844 14.819 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.867 -0.239 14.397 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.755 -1.033 14.888 1.00 0.00 C ATOM 1302 C LYS A 88 -2.758 -1.361 13.784 1.00 0.00 C ATOM 1303 O LYS A 88 -1.615 -1.692 14.074 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.264 -2.332 15.506 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.162 -3.172 16.123 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.391 -4.648 15.871 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.415 -5.169 14.837 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.856 -6.496 15.214 1.00 0.00 N ATOM 0 H LYS A 88 -5.046 -0.336 13.397 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.244 -0.436 15.644 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.004 -2.097 16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.772 -2.917 14.739 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.199 -2.875 15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.117 -2.986 17.196 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.275 -5.204 16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.413 -4.810 15.529 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.917 -5.248 13.873 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.601 -4.454 14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.107 -6.761 14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.458 -6.445 16.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.611 -7.210 15.190 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.186 -1.294 12.521 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.308 -1.628 11.409 1.00 0.00 C ATOM 1324 C ILE A 89 -0.974 -0.896 11.514 1.00 0.00 C ATOM 1325 O ILE A 89 0.014 -1.473 11.948 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.960 -1.318 10.048 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.265 -2.107 9.896 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.997 -1.650 8.914 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.179 -1.580 8.810 1.00 0.00 C ATOM 0 H ILE A 89 -4.128 -1.013 12.249 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.129 -2.702 11.469 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.192 -0.254 10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.025 -3.148 9.681 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.800 -2.092 10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.470 -1.426 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.091 -1.053 9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.740 -2.709 8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.080 -2.191 8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.451 -0.548 9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.665 -1.621 7.850 1.00 0.00 H new ATOM 1341 N THR A 90 -0.946 0.370 11.113 1.00 0.00 N ATOM 1342 CA THR A 90 0.284 1.157 11.163 1.00 0.00 C ATOM 1343 C THR A 90 0.887 1.136 12.566 1.00 0.00 C ATOM 1344 O THR A 90 2.101 1.019 12.723 1.00 0.00 O ATOM 1345 CB THR A 90 0.002 2.590 10.695 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.724 2.869 9.509 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.346 3.667 11.702 1.00 0.00 C ATOM 0 H THR A 90 -1.756 0.873 10.751 1.00 0.00 H new ATOM 0 HA THR A 90 1.017 0.713 10.490 1.00 0.00 H new ATOM 0 HB THR A 90 -1.076 2.620 10.539 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.601 3.240 9.740 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.113 4.645 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.235 3.514 12.611 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.409 3.618 11.938 1.00 0.00 H new ATOM 1355 N GLY A 91 0.035 1.224 13.585 1.00 0.00 N ATOM 1356 CA GLY A 91 0.522 1.142 14.949 1.00 0.00 C ATOM 1357 C GLY A 91 1.256 -0.161 15.174 1.00 0.00 C ATOM 1358 O GLY A 91 2.187 -0.241 15.977 1.00 0.00 O ATOM 0 H GLY A 91 -0.973 1.349 13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.187 1.981 15.155 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.314 1.220 15.645 1.00 0.00 H new ATOM 1362 N MET A 92 0.847 -1.172 14.420 1.00 0.00 N ATOM 1363 CA MET A 92 1.478 -2.484 14.463 1.00 0.00 C ATOM 1364 C MET A 92 2.798 -2.442 13.730 1.00 0.00 C ATOM 1365 O MET A 92 3.764 -3.093 14.113 1.00 0.00 O ATOM 1366 CB MET A 92 0.585 -3.522 13.787 1.00 0.00 C ATOM 1367 CG MET A 92 0.808 -4.924 14.299 1.00 0.00 C ATOM 1368 SD MET A 92 0.824 -6.161 12.988 1.00 0.00 S ATOM 1369 CE MET A 92 -0.704 -5.778 12.142 1.00 0.00 C ATOM 0 H MET A 92 0.070 -1.106 13.762 1.00 0.00 H new ATOM 0 HA MET A 92 1.635 -2.755 15.507 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.459 -3.248 13.940 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.765 -3.502 12.712 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.755 -4.961 14.837 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.024 -5.172 15.015 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.426 -6.575 12.317 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.104 -4.837 12.521 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.515 -5.688 11.072 1.00 0.00 H new ATOM 1379 N LEU A 93 2.801 -1.679 12.651 1.00 0.00 N ATOM 1380 CA LEU A 93 3.965 -1.538 11.791 1.00 0.00 C ATOM 1381 C LEU A 93 5.187 -1.066 12.569 1.00 0.00 C ATOM 1382 O LEU A 93 6.302 -1.056 12.048 1.00 0.00 O ATOM 1383 CB LEU A 93 3.644 -0.572 10.663 1.00 0.00 C ATOM 1384 CG LEU A 93 2.986 -1.213 9.439 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.944 -2.187 8.769 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.696 -1.917 9.834 1.00 0.00 C ATOM 0 H LEU A 93 1.993 -1.137 12.345 1.00 0.00 H new ATOM 0 HA LEU A 93 4.207 -2.517 11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.985 0.207 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.566 -0.083 10.348 1.00 0.00 H new ATOM 0 HG LEU A 93 2.742 -0.425 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.460 -2.634 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.841 -1.655 8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.218 -2.971 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.242 -2.367 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.915 -2.695 10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.006 -1.194 10.269 1.00 0.00 H new ATOM 1398 N LEU A 94 4.973 -0.673 13.816 1.00 0.00 N ATOM 1399 CA LEU A 94 6.066 -0.276 14.683 1.00 0.00 C ATOM 1400 C LEU A 94 6.324 -1.384 15.694 1.00 0.00 C ATOM 1401 O LEU A 94 6.785 -1.139 16.808 1.00 0.00 O ATOM 1402 CB LEU A 94 5.737 1.036 15.393 1.00 0.00 C ATOM 1403 CG LEU A 94 6.424 2.275 14.811 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.052 2.454 13.346 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.057 3.514 15.612 1.00 0.00 C ATOM 0 H LEU A 94 4.050 -0.621 14.248 1.00 0.00 H new ATOM 0 HA LEU A 94 6.964 -0.116 14.086 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.658 1.188 15.362 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.015 0.944 16.443 1.00 0.00 H new ATOM 0 HG LEU A 94 7.503 2.132 14.875 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.550 3.339 12.950 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.367 1.577 12.781 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.972 2.574 13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.554 4.384 15.184 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.977 3.661 15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.376 3.386 16.646 1.00 0.00 H new ATOM 1417 N GLU A 95 5.985 -2.607 15.290 1.00 0.00 N ATOM 1418 CA GLU A 95 6.137 -3.773 16.150 1.00 0.00 C ATOM 1419 C GLU A 95 5.909 -5.077 15.383 1.00 0.00 C ATOM 1420 O GLU A 95 5.986 -6.159 15.966 1.00 0.00 O ATOM 1421 CB GLU A 95 5.161 -3.690 17.328 1.00 0.00 C ATOM 1422 CG GLU A 95 3.725 -4.048 16.966 1.00 0.00 C ATOM 1423 CD GLU A 95 2.879 -4.361 18.185 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.785 -3.494 19.080 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.312 -5.472 18.245 1.00 0.00 O ATOM 0 H GLU A 95 5.602 -2.814 14.368 1.00 0.00 H new ATOM 0 HA GLU A 95 7.162 -3.776 16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.503 -4.358 18.119 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.182 -2.679 17.734 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.275 -3.220 16.418 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.726 -4.909 16.298 1.00 0.00 H new ATOM 1432 N ILE A 96 5.639 -4.982 14.077 1.00 0.00 N ATOM 1433 CA ILE A 96 5.402 -6.183 13.267 1.00 0.00 C ATOM 1434 C ILE A 96 6.648 -7.066 13.200 1.00 0.00 C ATOM 1435 O ILE A 96 7.473 -7.083 14.114 1.00 0.00 O ATOM 1436 CB ILE A 96 4.999 -5.854 11.811 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.173 -5.242 11.048 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.781 -4.953 11.743 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.538 -3.850 11.485 1.00 0.00 C ATOM 0 H ILE A 96 5.580 -4.102 13.564 1.00 0.00 H new ATOM 0 HA ILE A 96 4.582 -6.702 13.764 1.00 0.00 H new ATOM 0 HB ILE A 96 4.727 -6.795 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.044 -5.887 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.931 -5.225 9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.536 -4.750 10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.936 -5.446 12.224 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.994 -4.015 12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.380 -3.492 10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.684 -3.188 11.340 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.814 -3.860 12.539 1.00 0.00 H new ATOM 1451 N ASP A 97 6.794 -7.756 12.067 1.00 0.00 N ATOM 1452 CA ASP A 97 7.955 -8.579 11.786 1.00 0.00 C ATOM 1453 C ASP A 97 9.239 -7.771 11.931 1.00 0.00 C ATOM 1454 O ASP A 97 10.339 -8.321 11.882 1.00 0.00 O ATOM 1455 CB ASP A 97 7.842 -9.113 10.358 1.00 0.00 C ATOM 1456 CG ASP A 97 8.600 -10.410 10.158 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.040 -11.480 10.476 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.755 -10.356 9.683 1.00 0.00 O ATOM 0 H ASP A 97 6.101 -7.754 11.319 1.00 0.00 H new ATOM 0 HA ASP A 97 7.990 -9.404 12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.791 -9.270 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.222 -8.364 9.663 1.00 0.00 H new ATOM 1463 N ASN A 98 9.074 -6.455 12.076 1.00 0.00 N ATOM 1464 CA ASN A 98 10.185 -5.521 12.222 1.00 0.00 C ATOM 1465 C ASN A 98 10.821 -5.208 10.874 1.00 0.00 C ATOM 1466 O ASN A 98 11.430 -4.153 10.694 1.00 0.00 O ATOM 1467 CB ASN A 98 11.239 -6.049 13.200 1.00 0.00 C ATOM 1468 CG ASN A 98 11.140 -5.401 14.566 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.162 -5.592 15.288 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.158 -4.629 14.930 1.00 0.00 N ATOM 0 H ASN A 98 8.158 -6.007 12.095 1.00 0.00 H new ATOM 0 HA ASN A 98 9.777 -4.597 12.633 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.125 -7.128 13.304 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.233 -5.872 12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.148 -4.167 15.839 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.949 -4.498 14.300 1.00 0.00 H new ATOM 1477 N SER A 99 10.661 -6.120 9.922 1.00 0.00 N ATOM 1478 CA SER A 99 11.180 -5.905 8.578 1.00 0.00 C ATOM 1479 C SER A 99 10.293 -4.917 7.839 1.00 0.00 C ATOM 1480 O SER A 99 10.752 -4.178 6.968 1.00 0.00 O ATOM 1481 CB SER A 99 11.257 -7.224 7.810 1.00 0.00 C ATOM 1482 OG SER A 99 11.623 -8.294 8.664 1.00 0.00 O ATOM 0 H SER A 99 10.179 -7.009 10.055 1.00 0.00 H new ATOM 0 HA SER A 99 12.188 -5.497 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.292 -7.437 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.983 -7.135 7.002 1.00 0.00 H new ATOM 0 HG SER A 99 10.833 -8.839 8.863 1.00 0.00 H new ATOM 1488 N GLU A 100 9.020 -4.897 8.217 1.00 0.00 N ATOM 1489 CA GLU A 100 8.059 -3.971 7.638 1.00 0.00 C ATOM 1490 C GLU A 100 8.294 -2.572 8.180 1.00 0.00 C ATOM 1491 O GLU A 100 8.117 -1.586 7.471 1.00 0.00 O ATOM 1492 CB GLU A 100 6.638 -4.421 7.948 1.00 0.00 C ATOM 1493 CG GLU A 100 6.244 -5.713 7.262 1.00 0.00 C ATOM 1494 CD GLU A 100 6.671 -6.944 8.034 1.00 0.00 C ATOM 1495 OE1 GLU A 100 7.825 -7.386 7.854 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.849 -7.469 8.813 1.00 0.00 O ATOM 0 H GLU A 100 8.629 -5.517 8.927 1.00 0.00 H new ATOM 0 HA GLU A 100 8.192 -3.959 6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.533 -4.546 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.944 -3.635 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.163 -5.732 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.690 -5.741 6.268 1.00 0.00 H new ATOM 1503 N LEU A 101 8.716 -2.499 9.439 1.00 0.00 N ATOM 1504 CA LEU A 101 9.013 -1.222 10.075 1.00 0.00 C ATOM 1505 C LEU A 101 10.205 -0.558 9.392 1.00 0.00 C ATOM 1506 O LEU A 101 10.325 0.664 9.376 1.00 0.00 O ATOM 1507 CB LEU A 101 9.305 -1.432 11.566 1.00 0.00 C ATOM 1508 CG LEU A 101 10.152 -0.344 12.232 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.320 0.442 13.234 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.369 -0.956 12.910 1.00 0.00 C ATOM 0 H LEU A 101 8.860 -3.311 10.039 1.00 0.00 H new ATOM 0 HA LEU A 101 8.146 -0.569 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.356 -1.505 12.097 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.813 -2.389 11.688 1.00 0.00 H new ATOM 0 HG LEU A 101 10.498 0.343 11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.939 1.211 13.697 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.481 0.912 12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.943 -0.233 14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.959 -0.168 13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.043 -1.666 13.670 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.977 -1.473 12.168 1.00 0.00 H new ATOM 1522 N LEU A 102 11.076 -1.382 8.820 1.00 0.00 N ATOM 1523 CA LEU A 102 12.266 -0.892 8.134 1.00 0.00 C ATOM 1524 C LEU A 102 11.963 -0.532 6.689 1.00 0.00 C ATOM 1525 O LEU A 102 12.333 0.541 6.216 1.00 0.00 O ATOM 1526 CB LEU A 102 13.369 -1.952 8.184 1.00 0.00 C ATOM 1527 CG LEU A 102 14.469 -1.693 9.215 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.982 -2.038 10.615 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.719 -2.490 8.871 1.00 0.00 C ATOM 0 H LEU A 102 10.979 -2.397 8.818 1.00 0.00 H new ATOM 0 HA LEU A 102 12.602 0.011 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.913 -2.919 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.827 -2.025 7.197 1.00 0.00 H new ATOM 0 HG LEU A 102 14.720 -0.633 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.778 -1.847 11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.116 -1.423 10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.703 -3.091 10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.492 -2.294 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.482 -3.554 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.080 -2.194 7.886 1.00 0.00 H new ATOM 1541 N HIS A 103 11.291 -1.433 5.989 1.00 0.00 N ATOM 1542 CA HIS A 103 10.968 -1.222 4.592 1.00 0.00 C ATOM 1543 C HIS A 103 9.994 -0.059 4.412 1.00 0.00 C ATOM 1544 O HIS A 103 10.121 0.723 3.471 1.00 0.00 O ATOM 1545 CB HIS A 103 10.379 -2.506 4.010 1.00 0.00 C ATOM 1546 CG HIS A 103 10.985 -2.912 2.700 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.010 -4.228 2.302 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.569 -2.150 1.743 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.603 -4.240 1.122 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.959 -3.004 0.744 1.00 0.00 N ATOM 0 H HIS A 103 10.959 -2.319 6.370 1.00 0.00 H new ATOM 0 HA HIS A 103 11.884 -0.965 4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.515 -3.315 4.728 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.305 -2.374 3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.701 -1.078 1.764 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.779 -5.131 0.537 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.431 -2.747 -0.123 1.00 0.00 H new ATOM 1558 N MET A 104 9.026 0.053 5.318 1.00 0.00 N ATOM 1559 CA MET A 104 8.024 1.114 5.249 1.00 0.00 C ATOM 1560 C MET A 104 8.675 2.495 5.251 1.00 0.00 C ATOM 1561 O MET A 104 8.190 3.416 4.595 1.00 0.00 O ATOM 1562 CB MET A 104 7.048 0.995 6.423 1.00 0.00 C ATOM 1563 CG MET A 104 7.699 1.249 7.768 1.00 0.00 C ATOM 1564 SD MET A 104 6.661 2.212 8.886 1.00 0.00 S ATOM 1565 CE MET A 104 5.067 1.453 8.601 1.00 0.00 C ATOM 0 H MET A 104 8.914 -0.579 6.110 1.00 0.00 H new ATOM 0 HA MET A 104 7.478 0.998 4.312 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.232 1.704 6.282 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.608 -0.002 6.422 1.00 0.00 H new ATOM 0 HG2 MET A 104 7.938 0.294 8.236 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.642 1.774 7.615 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.428 1.611 9.470 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.602 1.901 7.723 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.198 0.383 8.436 1.00 0.00 H new ATOM 1575 N LEU A 105 9.749 2.647 6.024 1.00 0.00 N ATOM 1576 CA LEU A 105 10.466 3.916 6.089 1.00 0.00 C ATOM 1577 C LEU A 105 11.516 3.983 4.998 1.00 0.00 C ATOM 1578 O LEU A 105 12.148 5.018 4.786 1.00 0.00 O ATOM 1579 CB LEU A 105 11.142 4.090 7.451 1.00 0.00 C ATOM 1580 CG LEU A 105 10.356 3.553 8.643 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.226 3.530 9.891 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.112 4.389 8.873 1.00 0.00 C ATOM 0 H LEU A 105 10.139 1.910 6.611 1.00 0.00 H new ATOM 0 HA LEU A 105 9.742 4.718 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.112 3.593 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.332 5.151 7.611 1.00 0.00 H new ATOM 0 HG LEU A 105 10.049 2.530 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.648 3.144 10.731 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.090 2.888 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.564 4.541 10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.561 3.994 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.399 5.421 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.480 4.353 7.985 1.00 0.00 H new ATOM 1594 N GLU A 106 11.715 2.860 4.325 1.00 0.00 N ATOM 1595 CA GLU A 106 12.744 2.759 3.311 1.00 0.00 C ATOM 1596 C GLU A 106 12.165 2.744 1.899 1.00 0.00 C ATOM 1597 O GLU A 106 12.906 2.832 0.920 1.00 0.00 O ATOM 1598 CB GLU A 106 13.572 1.497 3.558 1.00 0.00 C ATOM 1599 CG GLU A 106 14.593 1.662 4.664 1.00 0.00 C ATOM 1600 CD GLU A 106 15.510 2.849 4.447 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.171 2.904 3.388 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.568 3.725 5.335 1.00 0.00 O ATOM 0 H GLU A 106 11.175 2.006 4.466 1.00 0.00 H new ATOM 0 HA GLU A 106 13.378 3.643 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.903 0.674 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.085 1.220 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.075 1.779 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.192 0.755 4.737 1.00 0.00 H new ATOM 1609 N SER A 107 10.844 2.649 1.793 1.00 0.00 N ATOM 1610 CA SER A 107 10.193 2.617 0.486 1.00 0.00 C ATOM 1611 C SER A 107 8.857 3.358 0.506 1.00 0.00 C ATOM 1612 O SER A 107 8.040 3.154 1.404 1.00 0.00 O ATOM 1613 CB SER A 107 9.978 1.171 0.045 1.00 0.00 C ATOM 1614 OG SER A 107 10.101 1.040 -1.360 1.00 0.00 O ATOM 0 H SER A 107 10.207 2.593 2.588 1.00 0.00 H new ATOM 0 HA SER A 107 10.847 3.122 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.705 0.526 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.990 0.835 0.359 1.00 0.00 H new ATOM 0 HG SER A 107 9.960 0.104 -1.615 1.00 0.00 H new ATOM 1620 N PRO A 108 8.605 4.220 -0.502 1.00 0.00 N ATOM 1621 CA PRO A 108 7.353 4.982 -0.600 1.00 0.00 C ATOM 1622 C PRO A 108 6.158 4.089 -0.919 1.00 0.00 C ATOM 1623 O PRO A 108 5.039 4.570 -1.103 1.00 0.00 O ATOM 1624 CB PRO A 108 7.616 5.958 -1.750 1.00 0.00 C ATOM 1625 CG PRO A 108 8.660 5.294 -2.579 1.00 0.00 C ATOM 1626 CD PRO A 108 9.521 4.519 -1.621 1.00 0.00 C ATOM 0 HA PRO A 108 7.100 5.473 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.710 6.143 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.960 6.924 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.208 4.634 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.250 6.030 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.909 3.608 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.381 5.102 -1.291 1.00 0.00 H new ATOM 1634 N GLU A 109 6.408 2.788 -0.986 1.00 0.00 N ATOM 1635 CA GLU A 109 5.362 1.813 -1.269 1.00 0.00 C ATOM 1636 C GLU A 109 5.321 0.755 -0.179 1.00 0.00 C ATOM 1637 O GLU A 109 4.279 0.156 0.070 1.00 0.00 O ATOM 1638 CB GLU A 109 5.606 1.163 -2.637 1.00 0.00 C ATOM 1639 CG GLU A 109 5.338 -0.335 -2.679 1.00 0.00 C ATOM 1640 CD GLU A 109 5.011 -0.830 -4.074 1.00 0.00 C ATOM 1641 OE1 GLU A 109 5.956 -1.122 -4.836 1.00 0.00 O ATOM 1642 OE2 GLU A 109 3.810 -0.923 -4.404 1.00 0.00 O ATOM 0 H GLU A 109 7.333 2.381 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 109 4.399 2.324 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.973 1.654 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.640 1.343 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.212 -0.867 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.510 -0.571 -2.010 1.00 0.00 H new ATOM 1649 N SER A 110 6.452 0.540 0.483 1.00 0.00 N ATOM 1650 CA SER A 110 6.514 -0.447 1.547 1.00 0.00 C ATOM 1651 C SER A 110 5.604 -0.045 2.687 1.00 0.00 C ATOM 1652 O SER A 110 4.844 -0.859 3.202 1.00 0.00 O ATOM 1653 CB SER A 110 7.939 -0.624 2.052 1.00 0.00 C ATOM 1654 OG SER A 110 8.478 -1.861 1.623 1.00 0.00 O ATOM 0 H SER A 110 7.328 1.031 0.303 1.00 0.00 H new ATOM 0 HA SER A 110 6.178 -1.401 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.562 0.194 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.952 -0.575 3.141 1.00 0.00 H new ATOM 0 HG SER A 110 9.055 -1.714 0.845 1.00 0.00 H new ATOM 1660 N LEU A 111 5.651 1.225 3.043 1.00 0.00 N ATOM 1661 CA LEU A 111 4.777 1.752 4.067 1.00 0.00 C ATOM 1662 C LEU A 111 3.347 1.287 3.797 1.00 0.00 C ATOM 1663 O LEU A 111 2.641 0.845 4.702 1.00 0.00 O ATOM 1664 CB LEU A 111 4.872 3.282 4.049 1.00 0.00 C ATOM 1665 CG LEU A 111 4.348 4.028 5.282 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.025 3.456 5.763 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.379 4.006 6.395 1.00 0.00 C ATOM 0 H LEU A 111 6.288 1.910 2.636 1.00 0.00 H new ATOM 0 HA LEU A 111 5.073 1.391 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.918 3.555 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.327 3.645 3.177 1.00 0.00 H new ATOM 0 HG LEU A 111 4.170 5.063 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.686 4.010 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.282 3.540 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.157 2.407 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.990 4.540 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.594 2.974 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.294 4.488 6.053 1.00 0.00 H new ATOM 1679 N ARG A 112 2.962 1.311 2.528 1.00 0.00 N ATOM 1680 CA ARG A 112 1.624 0.900 2.130 1.00 0.00 C ATOM 1681 C ARG A 112 1.499 -0.624 2.072 1.00 0.00 C ATOM 1682 O ARG A 112 0.731 -1.216 2.829 1.00 0.00 O ATOM 1683 CB ARG A 112 1.270 1.533 0.780 1.00 0.00 C ATOM 1684 CG ARG A 112 0.521 0.613 -0.165 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.149 1.396 -1.282 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.784 0.522 -2.264 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.626 0.653 -3.578 1.00 0.00 C ATOM 1688 NH1 ARG A 112 0.146 1.617 -4.064 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -1.240 -0.180 -4.407 1.00 0.00 N ATOM 0 H ARG A 112 3.558 1.611 1.757 1.00 0.00 H new ATOM 0 HA ARG A 112 0.917 1.250 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.666 2.423 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.189 1.863 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.212 -0.114 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.231 0.052 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.897 2.065 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.592 2.021 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.382 -0.231 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.620 2.260 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.265 1.715 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.834 -0.922 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.118 -0.079 -5.415 1.00 0.00 H new ATOM 1703 N SER A 113 2.248 -1.251 1.166 1.00 0.00 N ATOM 1704 CA SER A 113 2.203 -2.700 0.994 1.00 0.00 C ATOM 1705 C SER A 113 2.338 -3.416 2.331 1.00 0.00 C ATOM 1706 O SER A 113 1.497 -4.239 2.691 1.00 0.00 O ATOM 1707 CB SER A 113 3.314 -3.154 0.046 1.00 0.00 C ATOM 1708 OG SER A 113 3.421 -4.567 0.026 1.00 0.00 O ATOM 0 H SER A 113 2.895 -0.775 0.538 1.00 0.00 H new ATOM 0 HA SER A 113 1.235 -2.958 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.110 -2.787 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.263 -2.719 0.358 1.00 0.00 H new ATOM 0 HG SER A 113 4.137 -4.832 -0.588 1.00 0.00 H new ATOM 1714 N LYS A 114 3.395 -3.093 3.066 1.00 0.00 N ATOM 1715 CA LYS A 114 3.640 -3.707 4.364 1.00 0.00 C ATOM 1716 C LYS A 114 2.481 -3.447 5.322 1.00 0.00 C ATOM 1717 O LYS A 114 2.218 -4.255 6.213 1.00 0.00 O ATOM 1718 CB LYS A 114 4.948 -3.191 4.968 1.00 0.00 C ATOM 1719 CG LYS A 114 6.153 -3.377 4.059 1.00 0.00 C ATOM 1720 CD LYS A 114 6.446 -4.847 3.805 1.00 0.00 C ATOM 1721 CE LYS A 114 6.957 -5.076 2.392 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.172 -6.121 1.678 1.00 0.00 N ATOM 0 H LYS A 114 4.097 -2.408 2.784 1.00 0.00 H new ATOM 0 HA LYS A 114 3.725 -4.783 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.838 -2.132 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.131 -3.706 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.974 -2.873 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.026 -2.905 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.186 -5.201 4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.541 -5.433 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.909 -4.141 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.005 -5.372 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.553 -6.246 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.238 -7.020 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.176 -5.828 1.619 1.00 0.00 H new ATOM 1736 N VAL A 115 1.784 -2.323 5.142 1.00 0.00 N ATOM 1737 CA VAL A 115 0.636 -2.018 5.988 1.00 0.00 C ATOM 1738 C VAL A 115 -0.524 -2.943 5.630 1.00 0.00 C ATOM 1739 O VAL A 115 -0.970 -3.728 6.464 1.00 0.00 O ATOM 1740 CB VAL A 115 0.210 -0.533 5.888 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.304 -0.377 5.960 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.872 0.275 6.993 1.00 0.00 C ATOM 0 H VAL A 115 1.992 -1.622 4.430 1.00 0.00 H new ATOM 0 HA VAL A 115 0.928 -2.188 7.024 1.00 0.00 H new ATOM 0 HB VAL A 115 0.537 -0.157 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.565 0.679 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.766 -0.923 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.666 -0.775 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.566 1.318 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.570 -0.119 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.955 0.206 6.895 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.953 -2.905 4.366 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.028 -3.774 3.898 1.00 0.00 C ATOM 1754 C ASP A 116 -1.748 -5.231 4.263 1.00 0.00 C ATOM 1755 O ASP A 116 -2.663 -5.985 4.605 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.203 -3.639 2.385 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.624 -3.924 1.939 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.059 -5.089 2.056 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.302 -2.983 1.477 1.00 0.00 O ATOM 0 H ASP A 116 -0.572 -2.283 3.653 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.950 -3.465 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.924 -2.631 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.522 -4.325 1.881 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.478 -5.620 4.200 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.077 -6.979 4.544 1.00 0.00 C ATOM 1766 C GLU A 117 -0.176 -7.199 6.046 1.00 0.00 C ATOM 1767 O GLU A 117 -0.620 -8.255 6.498 1.00 0.00 O ATOM 1768 CB GLU A 117 1.351 -7.251 4.065 1.00 0.00 C ATOM 1769 CG GLU A 117 1.450 -7.523 2.571 1.00 0.00 C ATOM 1770 CD GLU A 117 2.202 -8.802 2.258 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.208 -9.713 3.113 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.784 -8.893 1.157 1.00 0.00 O ATOM 0 H GLU A 117 0.290 -5.013 3.914 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.752 -7.674 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.978 -6.394 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.751 -8.106 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.447 -7.584 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.949 -6.685 2.085 1.00 0.00 H new ATOM 1779 N ALA A 118 0.223 -6.193 6.818 1.00 0.00 N ATOM 1780 CA ALA A 118 0.131 -6.276 8.267 1.00 0.00 C ATOM 1781 C ALA A 118 -1.323 -6.417 8.683 1.00 0.00 C ATOM 1782 O ALA A 118 -1.628 -7.033 9.697 1.00 0.00 O ATOM 1783 CB ALA A 118 0.757 -5.059 8.927 1.00 0.00 C ATOM 0 H ALA A 118 0.610 -5.318 6.465 1.00 0.00 H new ATOM 0 HA ALA A 118 0.685 -7.155 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.673 -5.149 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.809 -4.995 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.239 -4.159 8.597 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.216 -5.851 7.877 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.647 -5.955 8.122 1.00 0.00 C ATOM 1791 C VAL A 119 -4.045 -7.409 8.224 1.00 0.00 C ATOM 1792 O VAL A 119 -4.704 -7.827 9.173 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.442 -5.312 6.989 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.921 -5.253 7.318 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.903 -3.937 6.724 1.00 0.00 C ATOM 0 H VAL A 119 -1.970 -5.314 7.045 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.867 -5.436 9.055 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.333 -5.923 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.459 -4.790 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.299 -6.263 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.069 -4.664 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.468 -3.474 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.995 -3.330 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.853 -4.006 6.439 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.623 -8.173 7.229 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.871 -9.599 7.201 1.00 0.00 C ATOM 1807 C ALA A 120 -3.380 -10.233 8.497 1.00 0.00 C ATOM 1808 O ALA A 120 -3.937 -11.221 8.981 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.170 -10.207 5.996 1.00 0.00 C ATOM 0 H ALA A 120 -3.103 -7.822 6.425 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.941 -9.789 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.354 -11.281 5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.555 -9.752 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.098 -10.025 6.068 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.358 -9.610 9.076 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.774 -10.064 10.326 1.00 0.00 C ATOM 1817 C VAL A 121 -2.552 -9.516 11.522 1.00 0.00 C ATOM 1818 O VAL A 121 -2.634 -10.159 12.568 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.300 -9.620 10.416 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.205 -9.652 11.848 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.565 -10.485 9.515 1.00 0.00 C ATOM 0 H VAL A 121 -1.914 -8.777 8.689 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.825 -11.153 10.348 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.236 -8.587 10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.247 -9.333 11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.395 -8.979 12.461 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.126 -10.666 12.239 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.603 -10.161 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.487 -11.527 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.226 -10.388 8.484 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.113 -8.323 11.356 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.892 -7.689 12.412 1.00 0.00 C ATOM 1833 C LEU A 122 -5.195 -8.446 12.622 1.00 0.00 C ATOM 1834 O LEU A 122 -5.606 -8.698 13.752 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.165 -6.220 12.058 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.639 -5.802 12.020 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.027 -5.101 13.313 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.907 -4.904 10.823 1.00 0.00 C ATOM 0 H LEU A 122 -3.042 -7.775 10.498 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.324 -7.716 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.648 -5.590 12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.724 -6.014 11.083 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.250 -6.699 11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.077 -4.811 13.269 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.872 -5.777 14.154 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.410 -4.212 13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.958 -4.617 10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.287 -4.010 10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.668 -5.440 9.905 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.828 -8.817 11.517 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.067 -9.572 11.562 1.00 0.00 C ATOM 1852 C GLN A 123 -6.813 -10.949 12.160 1.00 0.00 C ATOM 1853 O GLN A 123 -7.678 -11.522 12.821 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.654 -9.698 10.154 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.306 -8.420 9.652 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.435 -7.947 10.547 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.537 -8.496 10.519 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.165 -6.923 11.348 1.00 0.00 N ATOM 0 H GLN A 123 -5.499 -8.605 10.575 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.785 -9.046 12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.862 -9.988 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.392 -10.500 10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.552 -7.636 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.691 -8.585 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.238 -6.498 11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -9.885 -6.561 11.973 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.601 -11.457 11.947 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.204 -12.756 12.475 1.00 0.00 C ATOM 1869 C ALA A 124 -4.612 -12.628 13.877 1.00 0.00 C ATOM 1870 O ALA A 124 -4.231 -13.625 14.490 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.198 -13.411 11.543 1.00 0.00 C ATOM 0 H ALA A 124 -4.875 -10.984 11.409 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.095 -13.380 12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.907 -14.381 11.946 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.648 -13.546 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.317 -12.776 11.455 1.00 0.00 H new