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 79 GLN : amide:sc=-0.00636 X(o=0.34,f=0.35) USER MOD Set 1.2: A 84 THR OG1 : rot -48:sc= 0.35 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.45 USER MOD Set 2.2: A 57 MET CE :methyl -178:sc= -2.99! (180deg=-3.16!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 60 SER OG : rot -33:sc= 0.121 USER MOD Single : A 66 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.17) USER MOD Single : A 69 MET CE :methyl 177:sc= -0.818 (180deg=-0.841) USER MOD Single : A 81 MET CE :methyl 174:sc= -1.04 (180deg=-1.19) USER MOD Single : A 82 HIS : no HE2:sc= -7.04! C(o=-7!,f=-12!) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0.00596 (180deg=-0.0913) USER MOD Single : A 90 THR OG1 : rot -100:sc= -3.26! USER MOD Single : A 92 MET CE :methyl 144:sc= -0.97 (180deg=-3.17!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 99 SER OG : rot -73:sc= 0.86 USER MOD Single : A 103 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-6.3!) USER MOD Single : A 104 MET CE :methyl 173:sc= -8.27! (180deg=-8.92!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.139 USER MOD Single : A 110 SER OG : rot -173:sc= -3.06! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -1.76 K(o=-1.8,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.553 9.182 4.025 1.00 0.00 N ATOM 766 CA LEU A 53 1.885 9.107 4.612 1.00 0.00 C ATOM 767 C LEU A 53 2.644 7.891 4.089 1.00 0.00 C ATOM 768 O LEU A 53 2.048 6.859 3.783 1.00 0.00 O ATOM 769 CB LEU A 53 1.783 9.039 6.136 1.00 0.00 C ATOM 770 CG LEU A 53 2.765 9.935 6.894 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.050 11.153 7.458 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.451 9.163 8.010 1.00 0.00 C ATOM 0 HA LEU A 53 2.434 10.004 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.768 9.309 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.941 8.007 6.449 1.00 0.00 H new ATOM 0 HG LEU A 53 3.527 10.272 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.764 11.778 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.607 11.725 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.266 10.830 8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.144 9.821 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.702 8.793 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.999 8.321 7.587 1.00 0.00 H new ATOM 784 N THR A 54 3.964 8.025 3.984 1.00 0.00 N ATOM 785 CA THR A 54 4.812 6.939 3.509 1.00 0.00 C ATOM 786 C THR A 54 6.268 7.210 3.865 1.00 0.00 C ATOM 787 O THR A 54 6.570 8.158 4.591 1.00 0.00 O ATOM 788 CB THR A 54 4.668 6.760 1.995 1.00 0.00 C ATOM 789 OG1 THR A 54 3.680 7.633 1.476 1.00 0.00 O ATOM 790 CG2 THR A 54 4.293 5.351 1.592 1.00 0.00 C ATOM 0 H THR A 54 4.469 8.878 4.223 1.00 0.00 H new ATOM 0 HA THR A 54 4.492 6.019 3.999 1.00 0.00 H new ATOM 0 HB THR A 54 5.651 6.989 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.605 7.503 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.207 5.294 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.063 4.658 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.339 5.085 2.046 1.00 0.00 H new ATOM 798 N ALA A 55 7.167 6.380 3.346 1.00 0.00 N ATOM 799 CA ALA A 55 8.591 6.535 3.616 1.00 0.00 C ATOM 800 C ALA A 55 9.065 7.945 3.282 1.00 0.00 C ATOM 801 O ALA A 55 9.912 8.504 3.977 1.00 0.00 O ATOM 802 CB ALA A 55 9.398 5.509 2.842 1.00 0.00 C ATOM 0 H ALA A 55 6.935 5.595 2.737 1.00 0.00 H new ATOM 0 HA ALA A 55 8.747 6.369 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.458 5.642 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.091 4.506 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.226 5.641 1.774 1.00 0.00 H new ATOM 808 N SER A 56 8.513 8.515 2.214 1.00 0.00 N ATOM 809 CA SER A 56 8.870 9.868 1.806 1.00 0.00 C ATOM 810 C SER A 56 8.526 10.862 2.908 1.00 0.00 C ATOM 811 O SER A 56 9.334 11.721 3.260 1.00 0.00 O ATOM 812 CB SER A 56 8.144 10.249 0.515 1.00 0.00 C ATOM 813 OG SER A 56 8.006 9.130 -0.343 1.00 0.00 O ATOM 0 H SER A 56 7.820 8.062 1.619 1.00 0.00 H new ATOM 0 HA SER A 56 9.944 9.898 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.160 10.652 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.696 11.038 0.003 1.00 0.00 H new ATOM 0 HG SER A 56 7.537 9.400 -1.160 1.00 0.00 H new ATOM 819 N MET A 57 7.324 10.724 3.460 1.00 0.00 N ATOM 820 CA MET A 57 6.877 11.582 4.549 1.00 0.00 C ATOM 821 C MET A 57 7.828 11.464 5.730 1.00 0.00 C ATOM 822 O MET A 57 8.202 12.459 6.349 1.00 0.00 O ATOM 823 CB MET A 57 5.465 11.189 4.987 1.00 0.00 C ATOM 824 CG MET A 57 4.358 11.712 4.080 1.00 0.00 C ATOM 825 SD MET A 57 4.922 12.089 2.408 1.00 0.00 S ATOM 826 CE MET A 57 4.763 10.482 1.632 1.00 0.00 C ATOM 0 H MET A 57 6.642 10.024 3.169 1.00 0.00 H new ATOM 0 HA MET A 57 6.867 12.614 4.197 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.400 10.102 5.030 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.295 11.559 5.998 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.560 10.971 4.028 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.930 12.611 4.523 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.108 10.541 0.600 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.366 9.754 2.176 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.718 10.172 1.648 1.00 0.00 H new ATOM 836 N LEU A 58 8.218 10.230 6.025 1.00 0.00 N ATOM 837 CA LEU A 58 9.144 9.951 7.113 1.00 0.00 C ATOM 838 C LEU A 58 10.453 10.703 6.908 1.00 0.00 C ATOM 839 O LEU A 58 10.961 11.354 7.820 1.00 0.00 O ATOM 840 CB LEU A 58 9.421 8.445 7.182 1.00 0.00 C ATOM 841 CG LEU A 58 8.343 7.578 7.851 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.142 8.407 8.297 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.905 6.473 6.901 1.00 0.00 C ATOM 0 H LEU A 58 7.904 9.401 5.521 1.00 0.00 H new ATOM 0 HA LEU A 58 8.693 10.283 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.571 8.079 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.359 8.295 7.716 1.00 0.00 H new ATOM 0 HG LEU A 58 8.778 7.133 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.404 7.756 8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.467 9.161 9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.697 8.897 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.141 5.862 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.498 6.915 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.762 5.849 6.648 1.00 0.00 H new ATOM 855 N ALA A 59 10.989 10.603 5.696 1.00 0.00 N ATOM 856 CA ALA A 59 12.242 11.267 5.351 1.00 0.00 C ATOM 857 C ALA A 59 12.060 12.778 5.247 1.00 0.00 C ATOM 858 O ALA A 59 13.021 13.512 5.016 1.00 0.00 O ATOM 859 CB ALA A 59 12.791 10.711 4.047 1.00 0.00 C ATOM 0 H ALA A 59 10.574 10.067 4.934 1.00 0.00 H new ATOM 0 HA ALA A 59 12.957 11.070 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.726 11.215 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.973 9.642 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.069 10.877 3.248 1.00 0.00 H new ATOM 865 N SER A 60 10.823 13.238 5.412 1.00 0.00 N ATOM 866 CA SER A 60 10.521 14.662 5.331 1.00 0.00 C ATOM 867 C SER A 60 10.708 15.340 6.684 1.00 0.00 C ATOM 868 O SER A 60 10.627 16.564 6.793 1.00 0.00 O ATOM 869 CB SER A 60 9.089 14.873 4.839 1.00 0.00 C ATOM 870 OG SER A 60 8.878 16.217 4.441 1.00 0.00 O ATOM 0 H SER A 60 10.015 12.645 5.602 1.00 0.00 H new ATOM 0 HA SER A 60 11.215 15.112 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.888 14.206 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.387 14.611 5.631 1.00 0.00 H new ATOM 0 HG SER A 60 9.422 16.812 4.998 1.00 0.00 H new ATOM 876 N ALA A 61 10.965 14.538 7.715 1.00 0.00 N ATOM 877 CA ALA A 61 11.163 15.065 9.062 1.00 0.00 C ATOM 878 C ALA A 61 12.390 14.444 9.738 1.00 0.00 C ATOM 879 O ALA A 61 12.296 13.941 10.856 1.00 0.00 O ATOM 880 CB ALA A 61 9.921 14.818 9.905 1.00 0.00 C ATOM 0 H ALA A 61 11.041 13.523 7.643 1.00 0.00 H new ATOM 0 HA ALA A 61 11.338 16.138 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.077 15.214 10.908 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.066 15.316 9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.728 13.747 9.964 1.00 0.00 H new ATOM 946 N GLN A 66 10.671 10.875 11.884 1.00 0.00 N ATOM 947 CA GLN A 66 11.205 9.736 11.146 1.00 0.00 C ATOM 948 C GLN A 66 10.838 8.428 11.837 1.00 0.00 C ATOM 949 O GLN A 66 10.344 7.494 11.204 1.00 0.00 O ATOM 950 CB GLN A 66 12.726 9.851 11.024 1.00 0.00 C ATOM 951 CG GLN A 66 13.216 9.977 9.590 1.00 0.00 C ATOM 952 CD GLN A 66 14.544 9.282 9.363 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.744 8.617 8.347 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.462 9.433 10.312 1.00 0.00 N ATOM 0 HA GLN A 66 10.766 9.738 10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.063 10.719 11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.186 8.974 11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.470 9.555 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.314 11.032 9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.254 9.993 11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.375 8.989 10.214 1.00 0.00 H new ATOM 963 N LYS A 67 11.067 8.377 13.146 1.00 0.00 N ATOM 964 CA LYS A 67 10.758 7.193 13.933 1.00 0.00 C ATOM 965 C LYS A 67 9.679 7.494 14.967 1.00 0.00 C ATOM 966 O LYS A 67 9.747 7.031 16.107 1.00 0.00 O ATOM 967 CB LYS A 67 12.019 6.679 14.627 1.00 0.00 C ATOM 968 CG LYS A 67 12.784 7.757 15.377 1.00 0.00 C ATOM 969 CD LYS A 67 13.417 7.211 16.647 1.00 0.00 C ATOM 970 CE LYS A 67 14.737 6.516 16.359 1.00 0.00 C ATOM 971 NZ LYS A 67 15.173 5.659 17.496 1.00 0.00 N ATOM 0 H LYS A 67 11.467 9.146 13.683 1.00 0.00 H new ATOM 0 HA LYS A 67 10.382 6.423 13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.743 5.889 15.325 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.676 6.231 13.882 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.559 8.170 14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.109 8.575 15.628 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.580 8.026 17.352 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.732 6.510 17.123 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.638 5.905 15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.503 7.263 16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.077 5.203 17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.293 6.245 18.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.454 4.930 17.677 1.00 0.00 H new ATOM 985 N GLN A 68 8.678 8.268 14.559 1.00 0.00 N ATOM 986 CA GLN A 68 7.580 8.627 15.445 1.00 0.00 C ATOM 987 C GLN A 68 6.243 8.583 14.710 1.00 0.00 C ATOM 988 O GLN A 68 5.308 7.914 15.148 1.00 0.00 O ATOM 989 CB GLN A 68 7.804 10.022 16.029 1.00 0.00 C ATOM 990 CG GLN A 68 8.921 10.081 17.056 1.00 0.00 C ATOM 991 CD GLN A 68 8.807 11.282 17.975 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.807 11.918 18.313 1.00 0.00 O ATOM 993 NE2 GLN A 68 7.584 11.602 18.385 1.00 0.00 N ATOM 0 H GLN A 68 8.606 8.658 13.619 1.00 0.00 H new ATOM 0 HA GLN A 68 7.552 7.898 16.255 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.031 10.714 15.218 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.879 10.366 16.491 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.909 9.169 17.653 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.881 10.112 16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.783 11.048 18.081 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.446 12.401 19.004 1.00 0.00 H new ATOM 1002 N MET A 69 6.158 9.308 13.600 1.00 0.00 N ATOM 1003 CA MET A 69 4.927 9.369 12.820 1.00 0.00 C ATOM 1004 C MET A 69 4.772 8.154 11.906 1.00 0.00 C ATOM 1005 O MET A 69 3.816 8.069 11.136 1.00 0.00 O ATOM 1006 CB MET A 69 4.881 10.657 11.993 1.00 0.00 C ATOM 1007 CG MET A 69 5.801 10.650 10.782 1.00 0.00 C ATOM 1008 SD MET A 69 5.191 11.700 9.449 1.00 0.00 S ATOM 1009 CE MET A 69 6.700 12.524 8.949 1.00 0.00 C ATOM 0 H MET A 69 6.926 9.861 13.220 1.00 0.00 H new ATOM 0 HA MET A 69 4.095 9.364 13.524 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.858 10.824 11.657 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.148 11.497 12.634 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.793 10.987 11.081 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.908 9.629 10.416 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.496 13.170 8.095 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.078 13.125 9.776 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.446 11.780 8.671 1.00 0.00 H new ATOM 1019 N LEU A 70 5.710 7.216 11.993 1.00 0.00 N ATOM 1020 CA LEU A 70 5.654 6.011 11.167 1.00 0.00 C ATOM 1021 C LEU A 70 4.513 5.099 11.604 1.00 0.00 C ATOM 1022 O LEU A 70 3.852 4.479 10.771 1.00 0.00 O ATOM 1023 CB LEU A 70 6.972 5.221 11.204 1.00 0.00 C ATOM 1024 CG LEU A 70 7.973 5.582 12.312 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.311 5.606 13.680 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.119 4.587 12.311 1.00 0.00 C ATOM 0 H LEU A 70 6.512 7.264 12.621 1.00 0.00 H new ATOM 0 HA LEU A 70 5.482 6.347 10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.729 4.163 11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.470 5.349 10.243 1.00 0.00 H new ATOM 0 HG LEU A 70 8.353 6.583 12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.051 5.865 14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.512 6.347 13.685 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.895 4.623 13.900 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.827 4.846 13.098 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.730 3.584 12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.624 4.615 11.345 1.00 0.00 H new ATOM 1038 N GLY A 71 4.304 4.993 12.911 1.00 0.00 N ATOM 1039 CA GLY A 71 3.247 4.139 13.414 1.00 0.00 C ATOM 1040 C GLY A 71 2.431 4.795 14.510 1.00 0.00 C ATOM 1041 O GLY A 71 1.828 4.110 15.336 1.00 0.00 O ATOM 0 H GLY A 71 4.844 5.480 13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.587 3.864 12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.683 3.216 13.796 1.00 0.00 H new ATOM 1045 N GLU A 72 2.407 6.124 14.516 1.00 0.00 N ATOM 1046 CA GLU A 72 1.653 6.871 15.518 1.00 0.00 C ATOM 1047 C GLU A 72 0.921 8.050 14.885 1.00 0.00 C ATOM 1048 O GLU A 72 0.142 8.737 15.547 1.00 0.00 O ATOM 1049 CB GLU A 72 2.584 7.369 16.625 1.00 0.00 C ATOM 1050 CG GLU A 72 3.428 6.272 17.254 1.00 0.00 C ATOM 1051 CD GLU A 72 3.446 6.345 18.768 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.998 7.326 19.309 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.907 5.421 19.414 1.00 0.00 O ATOM 0 H GLU A 72 2.900 6.706 13.839 1.00 0.00 H new ATOM 0 HA GLU A 72 0.913 6.198 15.951 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.244 8.133 16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.987 7.846 17.402 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.042 5.300 16.946 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.449 6.344 16.878 1.00 0.00 H new ATOM 1060 N ARG A 73 1.167 8.271 13.598 1.00 0.00 N ATOM 1061 CA ARG A 73 0.536 9.367 12.874 1.00 0.00 C ATOM 1062 C ARG A 73 -0.140 8.862 11.607 1.00 0.00 C ATOM 1063 O ARG A 73 -1.019 9.521 11.054 1.00 0.00 O ATOM 1064 CB ARG A 73 1.574 10.425 12.508 1.00 0.00 C ATOM 1065 CG ARG A 73 0.973 11.699 11.945 1.00 0.00 C ATOM 1066 CD ARG A 73 1.364 12.907 12.776 1.00 0.00 C ATOM 1067 NE ARG A 73 0.208 13.724 13.131 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.222 13.894 14.378 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.407 13.304 15.387 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.281 14.655 14.617 1.00 0.00 N ATOM 0 H ARG A 73 1.800 7.704 13.034 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.220 9.809 13.524 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.158 10.670 13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.265 10.006 11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.308 11.838 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.113 11.610 11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.866 12.575 13.685 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.079 13.513 12.220 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.299 14.191 12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.223 12.718 15.207 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.075 13.436 16.342 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.767 15.111 13.844 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.610 14.785 15.574 1.00 0.00 H new ATOM 1084 N LEU A 74 0.290 7.695 11.147 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.248 7.104 9.929 1.00 0.00 C ATOM 1086 C LEU A 74 -1.637 6.525 10.151 1.00 0.00 C ATOM 1087 O LEU A 74 -2.328 6.183 9.192 1.00 0.00 O ATOM 1088 CB LEU A 74 0.681 6.004 9.428 1.00 0.00 C ATOM 1089 CG LEU A 74 1.490 6.365 8.190 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.893 5.795 8.297 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.793 5.868 6.933 1.00 0.00 C ATOM 0 H LEU A 74 1.013 7.137 11.601 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.323 7.897 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.370 5.737 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.086 5.117 9.210 1.00 0.00 H new ATOM 0 HG LEU A 74 1.566 7.450 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.462 6.060 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.386 6.206 9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.839 4.710 8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.386 6.135 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.685 4.784 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.192 6.328 6.857 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.031 6.392 11.413 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.327 5.812 11.751 1.00 0.00 C ATOM 1105 C PHE A 75 -4.461 6.435 10.924 1.00 0.00 C ATOM 1106 O PHE A 75 -5.189 5.715 10.238 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.609 5.956 13.252 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.024 5.626 13.638 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.658 4.510 13.112 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.716 6.430 14.527 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.963 4.214 13.457 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.018 6.133 14.883 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.641 5.023 14.349 1.00 0.00 C ATOM 0 H PHE A 75 -1.473 6.677 12.218 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.286 4.751 11.505 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.931 5.305 13.804 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.388 6.979 13.557 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.127 3.866 12.426 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.233 7.300 14.947 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.453 3.351 13.030 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.547 6.768 15.578 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.657 4.787 14.628 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.640 7.773 10.968 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.703 8.442 10.208 1.00 0.00 C ATOM 1125 C PRO A 76 -5.520 8.279 8.703 1.00 0.00 C ATOM 1126 O PRO A 76 -6.423 8.582 7.921 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.572 9.918 10.605 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.757 9.919 11.853 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.842 8.735 11.747 1.00 0.00 C ATOM 0 HA PRO A 76 -6.683 8.021 10.430 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.087 10.495 9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.550 10.368 10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.189 10.844 11.948 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.393 9.844 12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.909 8.989 11.243 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.577 8.340 12.728 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.348 7.794 8.304 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.042 7.600 6.892 1.00 0.00 C ATOM 1139 C LEU A 77 -4.338 6.171 6.448 1.00 0.00 C ATOM 1140 O LEU A 77 -4.634 5.930 5.279 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.571 7.934 6.614 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.190 9.417 6.704 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.358 10.318 6.321 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.697 9.743 8.100 1.00 0.00 C ATOM 0 H LEU A 77 -3.595 7.528 8.939 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.681 8.274 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.953 7.377 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.320 7.575 5.616 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.386 9.604 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.052 11.362 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.664 10.102 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.195 10.136 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.429 10.798 8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.485 9.531 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.822 9.134 8.328 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.244 5.220 7.376 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.500 3.821 7.046 1.00 0.00 C ATOM 1158 C ILE A 78 -5.964 3.600 6.710 1.00 0.00 C ATOM 1159 O ILE A 78 -6.291 2.842 5.797 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.110 2.862 8.179 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.784 3.279 8.815 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.026 1.441 7.647 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.603 3.183 7.874 1.00 0.00 C ATOM 0 H ILE A 78 -3.996 5.390 8.351 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.876 3.602 6.179 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.878 2.905 8.951 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.870 4.305 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.595 2.652 9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.749 0.765 8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.995 1.146 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.274 1.391 6.859 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.697 3.494 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.491 2.153 7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.769 3.832 7.014 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.842 4.261 7.458 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.277 4.158 7.220 1.00 0.00 C ATOM 1177 C GLN A 79 -8.584 4.407 5.746 1.00 0.00 C ATOM 1178 O GLN A 79 -9.636 4.021 5.238 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.028 5.172 8.084 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.539 4.599 9.397 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.380 5.590 10.176 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.010 6.010 11.273 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -11.522 5.969 9.612 1.00 0.00 N ATOM 0 H GLN A 79 -6.585 4.873 8.233 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.604 3.153 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.368 6.013 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.872 5.565 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.131 3.706 9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.692 4.288 10.008 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.790 5.596 8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.131 6.633 10.090 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.641 5.059 5.073 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.768 5.374 3.655 1.00 0.00 C ATOM 1194 C ALA A 80 -7.411 4.176 2.784 1.00 0.00 C ATOM 1195 O ALA A 80 -8.047 3.933 1.758 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.872 6.552 3.303 1.00 0.00 C ATOM 0 H ALA A 80 -6.770 5.383 5.494 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.809 5.635 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.972 6.781 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.166 7.421 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.835 6.299 3.523 1.00 0.00 H new ATOM 1202 N MET A 81 -6.360 3.456 3.171 1.00 0.00 N ATOM 1203 CA MET A 81 -5.919 2.289 2.409 1.00 0.00 C ATOM 1204 C MET A 81 -6.904 1.144 2.571 1.00 0.00 C ATOM 1205 O MET A 81 -7.356 0.549 1.593 1.00 0.00 O ATOM 1206 CB MET A 81 -4.528 1.834 2.864 1.00 0.00 C ATOM 1207 CG MET A 81 -3.609 2.967 3.289 1.00 0.00 C ATOM 1208 SD MET A 81 -2.606 2.540 4.723 1.00 0.00 S ATOM 1209 CE MET A 81 -1.020 2.243 3.954 1.00 0.00 C ATOM 0 H MET A 81 -5.802 3.657 4.001 1.00 0.00 H new ATOM 0 HA MET A 81 -5.871 2.576 1.358 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.640 1.140 3.697 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.055 1.283 2.051 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.955 3.231 2.458 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.207 3.849 3.517 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.268 2.072 4.725 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.086 1.365 3.311 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.737 3.110 3.357 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.227 0.845 3.821 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.151 -0.229 4.144 1.00 0.00 C ATOM 1221 C HIS A 82 -9.448 0.336 4.715 1.00 0.00 C ATOM 1222 O HIS A 82 -9.445 1.410 5.314 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.501 -1.171 5.157 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.784 -2.325 4.534 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.028 -3.615 4.932 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.837 -2.333 3.565 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.240 -4.378 4.199 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.494 -3.645 3.364 1.00 0.00 N ATOM 0 H HIS A 82 -6.858 1.337 4.634 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.387 -0.780 3.234 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.797 -0.604 5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.269 -1.553 5.829 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -7.685 -3.922 5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.432 -1.474 3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.202 -5.455 4.264 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.579 -0.372 4.531 1.00 0.00 N ATOM 1237 CA PRO A 83 -11.880 0.075 5.047 1.00 0.00 C ATOM 1238 C PRO A 83 -11.864 0.232 6.565 1.00 0.00 C ATOM 1239 O PRO A 83 -12.286 -0.666 7.293 1.00 0.00 O ATOM 1240 CB PRO A 83 -12.846 -1.041 4.629 1.00 0.00 C ATOM 1241 CG PRO A 83 -11.980 -2.220 4.337 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.680 -1.664 3.833 1.00 0.00 C ATOM 0 HA PRO A 83 -12.160 1.053 4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.558 -1.263 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.426 -0.752 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.826 -2.822 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.442 -2.868 3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.842 -2.318 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.688 -1.538 2.750 1.00 0.00 H new ATOM 1250 N THR A 84 -11.355 1.378 7.023 1.00 0.00 N ATOM 1251 CA THR A 84 -11.242 1.676 8.451 1.00 0.00 C ATOM 1252 C THR A 84 -10.754 0.461 9.241 1.00 0.00 C ATOM 1253 O THR A 84 -11.088 0.295 10.415 1.00 0.00 O ATOM 1254 CB THR A 84 -12.580 2.181 9.009 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.396 2.770 10.285 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.636 1.104 9.151 1.00 0.00 C ATOM 0 H THR A 84 -11.011 2.122 6.416 1.00 0.00 H new ATOM 0 HA THR A 84 -10.499 2.466 8.564 1.00 0.00 H new ATOM 0 HB THR A 84 -12.934 2.906 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.861 2.172 10.847 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.551 1.542 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.841 0.664 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.277 0.330 9.829 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.941 -0.370 8.595 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.402 -1.566 9.230 1.00 0.00 C ATOM 1266 C LEU A 85 -8.208 -1.222 10.113 1.00 0.00 C ATOM 1267 O LEU A 85 -7.585 -2.104 10.703 1.00 0.00 O ATOM 1268 CB LEU A 85 -8.987 -2.587 8.169 1.00 0.00 C ATOM 1269 CG LEU A 85 -9.823 -3.870 8.134 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -9.713 -4.618 9.455 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -11.277 -3.554 7.816 1.00 0.00 C ATOM 0 H LEU A 85 -9.641 -0.235 7.629 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.182 -1.998 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.040 -2.111 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.944 -2.857 8.336 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.432 -4.512 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.314 -5.526 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.671 -4.881 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.075 -3.983 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.854 -4.478 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.681 -2.891 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.339 -3.066 6.843 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.895 0.068 10.194 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.780 0.540 11.009 1.00 0.00 C ATOM 1285 C ALA A 86 -7.049 0.301 12.496 1.00 0.00 C ATOM 1286 O ALA A 86 -7.661 -0.699 12.871 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.522 2.015 10.737 1.00 0.00 C ATOM 0 H ALA A 86 -8.399 0.807 9.704 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.889 -0.026 10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.688 2.358 11.350 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.279 2.154 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.414 2.592 10.983 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.591 1.221 13.338 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.780 1.073 14.768 1.00 0.00 C ATOM 1295 C GLY A 87 -5.672 0.257 15.397 1.00 0.00 C ATOM 1296 O GLY A 87 -5.483 0.276 16.613 1.00 0.00 O ATOM 0 H GLY A 87 -6.093 2.065 13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.817 2.058 15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.740 0.593 14.961 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.922 -0.444 14.553 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.818 -1.272 15.013 1.00 0.00 C ATOM 1302 C LYS A 88 -2.787 -1.500 13.911 1.00 0.00 C ATOM 1303 O LYS A 88 -1.638 -1.816 14.201 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.338 -2.624 15.509 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.240 -3.561 15.987 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.514 -2.996 17.198 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.007 -3.008 16.997 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.270 -3.041 18.292 1.00 0.00 N ATOM 0 H LYS A 88 -5.061 -0.453 13.543 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.333 -0.741 15.832 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.041 -2.456 16.325 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.892 -3.108 14.705 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.671 -4.530 16.239 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.527 -3.730 15.180 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.850 -1.975 17.382 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.769 -3.580 18.082 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.728 -3.876 16.399 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.710 -2.124 16.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.743 -2.878 18.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.638 -2.298 18.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.399 -3.970 18.741 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.198 -1.354 12.651 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.309 -1.601 11.528 1.00 0.00 C ATOM 1324 C ILE A 89 -0.969 -0.886 11.691 1.00 0.00 C ATOM 1325 O ILE A 89 -0.001 -1.470 12.174 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.948 -1.186 10.196 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.266 -1.939 9.995 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.987 -1.469 9.053 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.129 -1.377 8.890 1.00 0.00 C ATOM 0 H ILE A 89 -4.141 -1.066 12.388 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.130 -2.676 11.515 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.160 -0.117 10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.046 -2.984 9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.830 -1.921 10.928 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.446 -1.172 8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.067 -0.904 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.758 -2.534 9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.044 -1.964 8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.381 -0.341 9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.586 -1.420 7.946 1.00 0.00 H new ATOM 1341 N THR A 90 -0.917 0.371 11.261 1.00 0.00 N ATOM 1342 CA THR A 90 0.310 1.163 11.328 1.00 0.00 C ATOM 1343 C THR A 90 0.891 1.164 12.736 1.00 0.00 C ATOM 1344 O THR A 90 2.104 1.061 12.914 1.00 0.00 O ATOM 1345 CB THR A 90 0.023 2.590 10.856 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.684 2.846 9.629 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.434 3.675 11.828 1.00 0.00 C ATOM 0 H THR A 90 -1.714 0.866 10.860 1.00 0.00 H new ATOM 0 HA THR A 90 1.054 0.712 10.671 1.00 0.00 H new ATOM 0 HB THR A 90 -1.062 2.631 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.505 3.353 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.192 4.651 11.408 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.100 3.542 12.769 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.507 3.614 12.009 1.00 0.00 H new ATOM 1355 N GLY A 91 0.023 1.295 13.733 1.00 0.00 N ATOM 1356 CA GLY A 91 0.483 1.273 15.104 1.00 0.00 C ATOM 1357 C GLY A 91 1.293 0.027 15.390 1.00 0.00 C ATOM 1358 O GLY A 91 2.236 0.052 16.181 1.00 0.00 O ATOM 0 H GLY A 91 -0.983 1.415 13.616 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.089 2.157 15.301 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.372 1.316 15.778 1.00 0.00 H new ATOM 1362 N MET A 92 0.945 -1.057 14.706 1.00 0.00 N ATOM 1363 CA MET A 92 1.644 -2.313 14.866 1.00 0.00 C ATOM 1364 C MET A 92 2.887 -2.340 13.993 1.00 0.00 C ATOM 1365 O MET A 92 3.849 -3.043 14.288 1.00 0.00 O ATOM 1366 CB MET A 92 0.702 -3.461 14.514 1.00 0.00 C ATOM 1367 CG MET A 92 1.277 -4.489 13.586 1.00 0.00 C ATOM 1368 SD MET A 92 0.466 -4.500 11.983 1.00 0.00 S ATOM 1369 CE MET A 92 -0.670 -5.857 12.224 1.00 0.00 C ATOM 0 H MET A 92 0.178 -1.084 14.034 1.00 0.00 H new ATOM 0 HA MET A 92 1.963 -2.424 15.902 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.396 -3.956 15.436 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.198 -3.047 14.060 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.341 -4.296 13.450 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.188 -5.475 14.041 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.606 -5.644 11.709 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.235 -6.772 11.822 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.863 -5.985 13.289 1.00 0.00 H new ATOM 1379 N LEU A 93 2.860 -1.554 12.924 1.00 0.00 N ATOM 1380 CA LEU A 93 3.990 -1.464 12.013 1.00 0.00 C ATOM 1381 C LEU A 93 5.233 -0.995 12.754 1.00 0.00 C ATOM 1382 O LEU A 93 6.342 -1.036 12.224 1.00 0.00 O ATOM 1383 CB LEU A 93 3.662 -0.510 10.873 1.00 0.00 C ATOM 1384 CG LEU A 93 3.048 -1.163 9.631 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.072 -2.050 8.937 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.812 -1.966 10.005 1.00 0.00 C ATOM 0 H LEU A 93 2.065 -0.969 12.668 1.00 0.00 H new ATOM 0 HA LEU A 93 4.189 -2.453 11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.973 0.249 11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.576 0.006 10.578 1.00 0.00 H new ATOM 0 HG LEU A 93 2.748 -0.376 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.620 -2.507 8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.929 -1.448 8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.401 -2.831 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.390 -2.422 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.086 -2.746 10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.073 -1.306 10.459 1.00 0.00 H new ATOM 1398 N LEU A 94 5.034 -0.546 13.987 1.00 0.00 N ATOM 1399 CA LEU A 94 6.136 -0.132 14.836 1.00 0.00 C ATOM 1400 C LEU A 94 6.433 -1.237 15.839 1.00 0.00 C ATOM 1401 O LEU A 94 6.916 -0.981 16.941 1.00 0.00 O ATOM 1402 CB LEU A 94 5.779 1.160 15.571 1.00 0.00 C ATOM 1403 CG LEU A 94 6.358 2.446 14.972 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.130 2.495 13.465 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.742 3.657 15.654 1.00 0.00 C ATOM 0 H LEU A 94 4.114 -0.460 14.420 1.00 0.00 H new ATOM 0 HA LEU A 94 7.018 0.052 14.222 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.693 1.251 15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.120 1.076 16.603 1.00 0.00 H new ATOM 0 HG LEU A 94 7.434 2.458 15.144 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.550 3.417 13.063 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.616 1.640 12.995 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.060 2.463 13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.158 4.568 15.223 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.662 3.647 15.508 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.964 3.626 16.721 1.00 0.00 H new ATOM 1417 N GLU A 95 6.091 -2.468 15.457 1.00 0.00 N ATOM 1418 CA GLU A 95 6.270 -3.614 16.337 1.00 0.00 C ATOM 1419 C GLU A 95 6.064 -4.941 15.605 1.00 0.00 C ATOM 1420 O GLU A 95 6.162 -6.004 16.217 1.00 0.00 O ATOM 1421 CB GLU A 95 5.291 -3.525 17.513 1.00 0.00 C ATOM 1422 CG GLU A 95 3.881 -3.987 17.170 1.00 0.00 C ATOM 1423 CD GLU A 95 3.036 -4.246 18.402 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.808 -3.293 19.177 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.599 -5.401 18.591 1.00 0.00 O ATOM 0 H GLU A 95 5.690 -2.693 14.546 1.00 0.00 H new ATOM 0 HA GLU A 95 7.298 -3.588 16.699 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.671 -4.128 18.338 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.251 -2.494 17.864 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.395 -3.231 16.553 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.936 -4.898 16.574 1.00 0.00 H new ATOM 1432 N ILE A 96 5.786 -4.888 14.299 1.00 0.00 N ATOM 1433 CA ILE A 96 5.563 -6.117 13.532 1.00 0.00 C ATOM 1434 C ILE A 96 6.817 -6.989 13.499 1.00 0.00 C ATOM 1435 O ILE A 96 7.640 -6.964 14.414 1.00 0.00 O ATOM 1436 CB ILE A 96 5.162 -5.841 12.067 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.334 -5.240 11.293 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.937 -4.952 11.967 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.659 -3.822 11.671 1.00 0.00 C ATOM 0 H ILE A 96 5.711 -4.026 13.759 1.00 0.00 H new ATOM 0 HA ILE A 96 4.747 -6.628 14.044 1.00 0.00 H new ATOM 0 HB ILE A 96 4.900 -6.798 11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.217 -5.859 11.454 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.109 -5.278 10.227 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.693 -4.786 10.918 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.095 -5.435 12.463 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.141 -3.995 12.448 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.502 -3.471 11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.793 -3.188 11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.918 -3.778 12.729 1.00 0.00 H new ATOM 1451 N ASP A 97 6.973 -7.720 12.395 1.00 0.00 N ATOM 1452 CA ASP A 97 8.143 -8.542 12.153 1.00 0.00 C ATOM 1453 C ASP A 97 9.421 -7.716 12.274 1.00 0.00 C ATOM 1454 O ASP A 97 10.527 -8.258 12.250 1.00 0.00 O ATOM 1455 CB ASP A 97 8.044 -9.135 10.749 1.00 0.00 C ATOM 1456 CG ASP A 97 8.849 -10.409 10.593 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.583 -11.375 11.337 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.749 -10.440 9.726 1.00 0.00 O ATOM 0 H ASP A 97 6.284 -7.754 11.644 1.00 0.00 H new ATOM 0 HA ASP A 97 8.181 -9.338 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.999 -9.340 10.519 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.391 -8.400 10.023 1.00 0.00 H new ATOM 1463 N ASN A 98 9.243 -6.399 12.375 1.00 0.00 N ATOM 1464 CA ASN A 98 10.342 -5.446 12.498 1.00 0.00 C ATOM 1465 C ASN A 98 10.976 -5.161 11.143 1.00 0.00 C ATOM 1466 O ASN A 98 11.585 -4.109 10.943 1.00 0.00 O ATOM 1467 CB ASN A 98 11.399 -5.934 13.493 1.00 0.00 C ATOM 1468 CG ASN A 98 10.845 -6.087 14.896 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.464 -7.182 15.308 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.797 -4.986 15.637 1.00 0.00 N ATOM 0 H ASN A 98 8.322 -5.961 12.374 1.00 0.00 H new ATOM 0 HA ASN A 98 9.923 -4.516 12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.797 -6.891 13.156 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.232 -5.231 13.509 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.433 -5.027 16.589 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.124 -4.099 15.254 1.00 0.00 H new ATOM 1477 N SER A 99 10.814 -6.088 10.209 1.00 0.00 N ATOM 1478 CA SER A 99 11.328 -5.898 8.861 1.00 0.00 C ATOM 1479 C SER A 99 10.425 -4.941 8.102 1.00 0.00 C ATOM 1480 O SER A 99 10.884 -4.159 7.270 1.00 0.00 O ATOM 1481 CB SER A 99 11.425 -7.231 8.123 1.00 0.00 C ATOM 1482 OG SER A 99 10.581 -7.252 6.985 1.00 0.00 O ATOM 0 H SER A 99 10.333 -6.975 10.359 1.00 0.00 H new ATOM 0 HA SER A 99 12.330 -5.474 8.925 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.456 -7.405 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.151 -8.043 8.797 1.00 0.00 H new ATOM 0 HG SER A 99 9.647 -7.322 7.272 1.00 0.00 H new ATOM 1488 N GLU A 100 9.137 -4.994 8.421 1.00 0.00 N ATOM 1489 CA GLU A 100 8.159 -4.102 7.817 1.00 0.00 C ATOM 1490 C GLU A 100 8.374 -2.683 8.311 1.00 0.00 C ATOM 1491 O GLU A 100 8.190 -1.724 7.566 1.00 0.00 O ATOM 1492 CB GLU A 100 6.744 -4.562 8.142 1.00 0.00 C ATOM 1493 CG GLU A 100 6.390 -5.901 7.536 1.00 0.00 C ATOM 1494 CD GLU A 100 6.857 -7.071 8.376 1.00 0.00 C ATOM 1495 OE1 GLU A 100 8.015 -7.502 8.201 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.060 -7.562 9.202 1.00 0.00 O ATOM 0 H GLU A 100 8.746 -5.649 9.098 1.00 0.00 H new ATOM 0 HA GLU A 100 8.290 -4.124 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.629 -4.620 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.036 -3.813 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.309 -5.961 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.834 -5.973 6.543 1.00 0.00 H new ATOM 1503 N LEU A 101 8.786 -2.561 9.569 1.00 0.00 N ATOM 1504 CA LEU A 101 9.058 -1.261 10.165 1.00 0.00 C ATOM 1505 C LEU A 101 10.251 -0.606 9.481 1.00 0.00 C ATOM 1506 O LEU A 101 10.350 0.618 9.414 1.00 0.00 O ATOM 1507 CB LEU A 101 9.328 -1.417 11.670 1.00 0.00 C ATOM 1508 CG LEU A 101 9.580 -0.117 12.451 1.00 0.00 C ATOM 1509 CD1 LEU A 101 11.057 0.249 12.421 1.00 0.00 C ATOM 1510 CD2 LEU A 101 8.733 1.026 11.908 1.00 0.00 C ATOM 0 H LEU A 101 8.939 -3.351 10.196 1.00 0.00 H new ATOM 0 HA LEU A 101 8.185 -0.623 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.477 -1.928 12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.194 -2.067 11.798 1.00 0.00 H new ATOM 0 HG LEU A 101 9.287 -0.287 13.487 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.215 1.172 12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.640 -0.553 12.874 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.376 0.391 11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.934 1.931 12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.981 1.197 10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.677 0.769 11.994 1.00 0.00 H new ATOM 1522 N LEU A 102 11.152 -1.433 8.969 1.00 0.00 N ATOM 1523 CA LEU A 102 12.338 -0.943 8.281 1.00 0.00 C ATOM 1524 C LEU A 102 12.026 -0.612 6.831 1.00 0.00 C ATOM 1525 O LEU A 102 12.383 0.458 6.333 1.00 0.00 O ATOM 1526 CB LEU A 102 13.441 -1.996 8.327 1.00 0.00 C ATOM 1527 CG LEU A 102 14.554 -1.725 9.340 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.099 -2.094 10.744 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.814 -2.491 8.967 1.00 0.00 C ATOM 0 H LEU A 102 11.084 -2.450 9.017 1.00 0.00 H new ATOM 0 HA LEU A 102 12.671 -0.037 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.991 -2.962 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.886 -2.078 7.335 1.00 0.00 H new ATOM 0 HG LEU A 102 14.783 -0.659 9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.904 -1.895 11.451 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.225 -1.500 11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.841 -3.153 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.595 -2.286 9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.600 -3.560 8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.151 -2.177 7.979 1.00 0.00 H new ATOM 1541 N HIS A 103 11.389 -1.554 6.149 1.00 0.00 N ATOM 1542 CA HIS A 103 11.051 -1.380 4.752 1.00 0.00 C ATOM 1543 C HIS A 103 10.168 -0.157 4.554 1.00 0.00 C ATOM 1544 O HIS A 103 10.439 0.670 3.688 1.00 0.00 O ATOM 1545 CB HIS A 103 10.343 -2.630 4.231 1.00 0.00 C ATOM 1546 CG HIS A 103 10.818 -3.076 2.883 1.00 0.00 C ATOM 1547 ND1 HIS A 103 10.277 -2.567 1.727 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.777 -3.981 2.563 1.00 0.00 C ATOM 1549 CE1 HIS A 103 10.912 -3.166 0.735 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.829 -4.030 1.194 1.00 0.00 N ATOM 0 H HIS A 103 11.097 -2.447 6.546 1.00 0.00 H new ATOM 0 HA HIS A 103 11.973 -1.227 4.190 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.488 -3.442 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.272 -2.436 4.182 1.00 0.00 H new ATOM 0 HD2 HIS A 103 12.382 -4.552 3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 103 10.717 -2.983 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.448 -4.613 0.631 1.00 0.00 H new ATOM 1558 N MET A 104 9.121 -0.047 5.368 1.00 0.00 N ATOM 1559 CA MET A 104 8.165 1.052 5.269 1.00 0.00 C ATOM 1560 C MET A 104 8.849 2.415 5.279 1.00 0.00 C ATOM 1561 O MET A 104 8.384 3.349 4.627 1.00 0.00 O ATOM 1562 CB MET A 104 7.164 0.972 6.423 1.00 0.00 C ATOM 1563 CG MET A 104 7.816 1.116 7.784 1.00 0.00 C ATOM 1564 SD MET A 104 6.804 2.049 8.945 1.00 0.00 S ATOM 1565 CE MET A 104 5.200 1.321 8.634 1.00 0.00 C ATOM 0 H MET A 104 8.912 -0.714 6.111 1.00 0.00 H new ATOM 0 HA MET A 104 7.648 0.950 4.315 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.414 1.754 6.301 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.640 0.017 6.377 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.013 0.126 8.194 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.780 1.611 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.481 1.701 9.360 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.871 1.581 7.628 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.269 0.237 8.724 1.00 0.00 H new ATOM 1575 N LEU A 105 9.929 2.540 6.042 1.00 0.00 N ATOM 1576 CA LEU A 105 10.649 3.805 6.132 1.00 0.00 C ATOM 1577 C LEU A 105 11.645 3.940 4.995 1.00 0.00 C ATOM 1578 O LEU A 105 12.242 4.999 4.800 1.00 0.00 O ATOM 1579 CB LEU A 105 11.389 3.905 7.467 1.00 0.00 C ATOM 1580 CG LEU A 105 10.587 3.461 8.688 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.456 3.492 9.935 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.362 4.339 8.864 1.00 0.00 C ATOM 0 H LEU A 105 10.324 1.786 6.604 1.00 0.00 H new ATOM 0 HA LEU A 105 9.918 4.611 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.295 3.302 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.703 4.938 7.614 1.00 0.00 H new ATOM 0 HG LEU A 105 10.253 2.435 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.869 3.173 10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.304 2.819 9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.820 4.506 10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.801 4.010 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.673 5.375 9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.731 4.264 7.979 1.00 0.00 H new ATOM 1594 N GLU A 106 11.826 2.860 4.249 1.00 0.00 N ATOM 1595 CA GLU A 106 12.808 2.848 3.178 1.00 0.00 C ATOM 1596 C GLU A 106 12.175 2.867 1.782 1.00 0.00 C ATOM 1597 O GLU A 106 12.886 2.999 0.785 1.00 0.00 O ATOM 1598 CB GLU A 106 13.724 1.625 3.330 1.00 0.00 C ATOM 1599 CG GLU A 106 13.299 0.421 2.502 1.00 0.00 C ATOM 1600 CD GLU A 106 14.239 0.146 1.343 1.00 0.00 C ATOM 1601 OE1 GLU A 106 14.875 1.104 0.854 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.338 -1.026 0.924 1.00 0.00 O ATOM 0 H GLU A 106 11.310 1.988 4.365 1.00 0.00 H new ATOM 0 HA GLU A 106 13.390 3.765 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.738 1.907 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.755 1.337 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.254 -0.459 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.293 0.587 2.117 1.00 0.00 H new ATOM 1609 N SER A 107 10.851 2.741 1.699 1.00 0.00 N ATOM 1610 CA SER A 107 10.185 2.733 0.394 1.00 0.00 C ATOM 1611 C SER A 107 8.837 3.455 0.433 1.00 0.00 C ATOM 1612 O SER A 107 8.073 3.314 1.388 1.00 0.00 O ATOM 1613 CB SER A 107 9.985 1.295 -0.084 1.00 0.00 C ATOM 1614 OG SER A 107 10.089 1.204 -1.494 1.00 0.00 O ATOM 0 H SER A 107 10.228 2.645 2.501 1.00 0.00 H new ATOM 0 HA SER A 107 10.829 3.268 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.729 0.648 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.007 0.936 0.235 1.00 0.00 H new ATOM 0 HG SER A 107 9.959 0.273 -1.772 1.00 0.00 H new ATOM 1620 N PRO A 108 8.516 4.226 -0.626 1.00 0.00 N ATOM 1621 CA PRO A 108 7.245 4.954 -0.719 1.00 0.00 C ATOM 1622 C PRO A 108 6.068 4.018 -0.972 1.00 0.00 C ATOM 1623 O PRO A 108 4.934 4.459 -1.149 1.00 0.00 O ATOM 1624 CB PRO A 108 7.455 5.885 -1.913 1.00 0.00 C ATOM 1625 CG PRO A 108 8.456 5.183 -2.763 1.00 0.00 C ATOM 1626 CD PRO A 108 9.361 4.441 -1.818 1.00 0.00 C ATOM 0 HA PRO A 108 7.003 5.478 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.524 6.053 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.820 6.862 -1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.967 4.496 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.021 5.893 -3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.700 3.497 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.253 5.021 -1.578 1.00 0.00 H new ATOM 1634 N GLU A 109 6.354 2.722 -0.988 1.00 0.00 N ATOM 1635 CA GLU A 109 5.331 1.708 -1.213 1.00 0.00 C ATOM 1636 C GLU A 109 5.385 0.642 -0.129 1.00 0.00 C ATOM 1637 O GLU A 109 4.422 -0.087 0.076 1.00 0.00 O ATOM 1638 CB GLU A 109 5.521 1.067 -2.587 1.00 0.00 C ATOM 1639 CG GLU A 109 5.312 2.034 -3.740 1.00 0.00 C ATOM 1640 CD GLU A 109 6.057 1.619 -4.993 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.240 1.994 -5.132 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.458 0.917 -5.835 1.00 0.00 O ATOM 0 H GLU A 109 7.292 2.347 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 109 4.354 2.190 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.527 0.651 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.825 0.235 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.247 2.104 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.641 3.029 -3.439 1.00 0.00 H new ATOM 1649 N SER A 110 6.513 0.560 0.567 1.00 0.00 N ATOM 1650 CA SER A 110 6.659 -0.385 1.665 1.00 0.00 C ATOM 1651 C SER A 110 5.692 -0.033 2.771 1.00 0.00 C ATOM 1652 O SER A 110 4.936 -0.867 3.243 1.00 0.00 O ATOM 1653 CB SER A 110 8.076 -0.341 2.212 1.00 0.00 C ATOM 1654 OG SER A 110 8.516 0.999 2.316 1.00 0.00 O ATOM 0 H SER A 110 7.337 1.135 0.390 1.00 0.00 H new ATOM 0 HA SER A 110 6.448 -1.388 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.111 -0.820 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.744 -0.901 1.558 1.00 0.00 H new ATOM 0 HG SER A 110 9.464 1.014 2.563 1.00 0.00 H new ATOM 1660 N LEU A 111 5.706 1.233 3.147 1.00 0.00 N ATOM 1661 CA LEU A 111 4.813 1.749 4.166 1.00 0.00 C ATOM 1662 C LEU A 111 3.385 1.267 3.896 1.00 0.00 C ATOM 1663 O LEU A 111 2.603 1.051 4.819 1.00 0.00 O ATOM 1664 CB LEU A 111 4.914 3.282 4.140 1.00 0.00 C ATOM 1665 CG LEU A 111 4.409 4.052 5.369 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.040 3.566 5.813 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.412 3.964 6.505 1.00 0.00 C ATOM 0 H LEU A 111 6.337 1.931 2.754 1.00 0.00 H new ATOM 0 HA LEU A 111 5.090 1.388 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.960 3.547 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.363 3.640 3.270 1.00 0.00 H new ATOM 0 HG LEU A 111 4.304 5.099 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.717 4.135 6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.324 3.706 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.095 2.508 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.036 4.516 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.560 2.920 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.362 4.393 6.186 1.00 0.00 H new ATOM 1679 N ARG A 112 3.092 0.997 2.630 1.00 0.00 N ATOM 1680 CA ARG A 112 1.776 0.516 2.232 1.00 0.00 C ATOM 1681 C ARG A 112 1.739 -0.999 2.122 1.00 0.00 C ATOM 1682 O ARG A 112 1.038 -1.664 2.880 1.00 0.00 O ATOM 1683 CB ARG A 112 1.387 1.147 0.906 1.00 0.00 C ATOM 1684 CG ARG A 112 1.073 2.609 1.064 1.00 0.00 C ATOM 1685 CD ARG A 112 1.276 3.379 -0.232 1.00 0.00 C ATOM 1686 NE ARG A 112 0.537 2.787 -1.344 1.00 0.00 N ATOM 1687 CZ ARG A 112 0.719 3.127 -2.616 1.00 0.00 C ATOM 1688 NH1 ARG A 112 1.612 4.053 -2.938 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.007 2.541 -3.570 1.00 0.00 N ATOM 0 H ARG A 112 3.751 1.104 1.859 1.00 0.00 H new ATOM 0 HA ARG A 112 1.061 0.804 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.200 1.023 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.520 0.630 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.041 2.724 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.708 3.034 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.956 4.412 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.338 3.404 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.159 2.072 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.162 4.507 -2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.749 4.311 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.681 1.828 -3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.148 2.803 -4.546 1.00 0.00 H new ATOM 1703 N SER A 113 2.486 -1.536 1.168 1.00 0.00 N ATOM 1704 CA SER A 113 2.554 -2.978 0.968 1.00 0.00 C ATOM 1705 C SER A 113 2.746 -3.688 2.302 1.00 0.00 C ATOM 1706 O SER A 113 2.329 -4.831 2.476 1.00 0.00 O ATOM 1707 CB SER A 113 3.701 -3.330 0.020 1.00 0.00 C ATOM 1708 OG SER A 113 3.324 -3.135 -1.332 1.00 0.00 O ATOM 0 H SER A 113 3.055 -0.994 0.518 1.00 0.00 H new ATOM 0 HA SER A 113 1.616 -3.310 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.570 -2.714 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.997 -4.368 0.172 1.00 0.00 H new ATOM 0 HG SER A 113 4.075 -3.365 -1.918 1.00 0.00 H new ATOM 1714 N LYS A 114 3.412 -3.006 3.230 1.00 0.00 N ATOM 1715 CA LYS A 114 3.628 -3.545 4.568 1.00 0.00 C ATOM 1716 C LYS A 114 2.389 -3.353 5.432 1.00 0.00 C ATOM 1717 O LYS A 114 2.006 -4.252 6.176 1.00 0.00 O ATOM 1718 CB LYS A 114 4.843 -2.896 5.236 1.00 0.00 C ATOM 1719 CG LYS A 114 6.152 -3.141 4.499 1.00 0.00 C ATOM 1720 CD LYS A 114 6.445 -4.624 4.337 1.00 0.00 C ATOM 1721 CE LYS A 114 7.625 -4.860 3.408 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.726 -6.285 2.988 1.00 0.00 N ATOM 0 H LYS A 114 3.811 -2.079 3.079 1.00 0.00 H new ATOM 0 HA LYS A 114 3.823 -4.613 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.674 -1.822 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.933 -3.276 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.109 -2.671 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.969 -2.667 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.655 -5.063 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.563 -5.129 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.524 -4.228 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.546 -4.563 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.543 -6.403 2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.848 -6.887 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.858 -6.562 2.487 1.00 0.00 H new ATOM 1736 N VAL A 115 1.767 -2.172 5.343 1.00 0.00 N ATOM 1737 CA VAL A 115 0.558 -1.902 6.113 1.00 0.00 C ATOM 1738 C VAL A 115 -0.579 -2.799 5.631 1.00 0.00 C ATOM 1739 O VAL A 115 -1.092 -3.618 6.390 1.00 0.00 O ATOM 1740 CB VAL A 115 0.144 -0.413 6.027 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.367 -0.244 6.149 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.851 0.392 7.106 1.00 0.00 C ATOM 0 H VAL A 115 2.079 -1.401 4.753 1.00 0.00 H new ATOM 0 HA VAL A 115 0.771 -2.122 7.159 1.00 0.00 H new ATOM 0 HB VAL A 115 0.443 -0.040 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.621 0.814 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.860 -0.786 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.701 -0.639 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.551 1.438 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.579 0.003 8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.930 0.314 6.970 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.936 -2.665 4.355 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.989 -3.480 3.756 1.00 0.00 C ATOM 1754 C ASP A 116 -1.799 -4.961 4.083 1.00 0.00 C ATOM 1755 O ASP A 116 -2.767 -5.684 4.329 1.00 0.00 O ATOM 1756 CB ASP A 116 -1.997 -3.276 2.236 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.997 -4.168 1.524 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -2.784 -5.398 1.495 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -3.983 -3.632 0.976 1.00 0.00 O ATOM 0 H ASP A 116 -0.509 -1.996 3.714 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.945 -3.164 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.227 -2.234 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -0.999 -3.472 1.843 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.547 -5.411 4.078 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.239 -6.803 4.386 1.00 0.00 C ATOM 1766 C GLU A 117 -0.321 -7.041 5.883 1.00 0.00 C ATOM 1767 O GLU A 117 -0.710 -8.119 6.332 1.00 0.00 O ATOM 1768 CB GLU A 117 1.152 -7.174 3.871 1.00 0.00 C ATOM 1769 CG GLU A 117 1.145 -7.775 2.475 1.00 0.00 C ATOM 1770 CD GLU A 117 2.069 -8.969 2.347 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.272 -8.825 2.649 1.00 0.00 O ATOM 1772 OE2 GLU A 117 1.589 -10.050 1.945 1.00 0.00 O ATOM 0 H GLU A 117 0.267 -4.834 3.865 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.973 -7.435 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.779 -6.283 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.608 -7.884 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.130 -8.078 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.441 -7.013 1.754 1.00 0.00 H new ATOM 1779 N ALA A 118 0.037 -6.021 6.654 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.039 -6.108 8.101 1.00 0.00 C ATOM 1781 C ALA A 118 -1.491 -6.187 8.538 1.00 0.00 C ATOM 1782 O ALA A 118 -1.800 -6.755 9.581 1.00 0.00 O ATOM 1783 CB ALA A 118 0.661 -4.932 8.759 1.00 0.00 C ATOM 0 H ALA A 118 0.381 -5.129 6.300 1.00 0.00 H new ATOM 0 HA ALA A 118 0.474 -7.015 8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.587 -5.025 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.711 -4.923 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.188 -4.003 8.441 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.382 -5.633 7.720 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.805 -5.701 7.999 1.00 0.00 C ATOM 1791 C VAL A 119 -4.252 -7.144 8.021 1.00 0.00 C ATOM 1792 O VAL A 119 -4.883 -7.597 8.971 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.637 -4.948 6.963 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.082 -4.873 7.428 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.063 -3.567 6.716 1.00 0.00 C ATOM 0 H VAL A 119 -2.141 -5.135 6.863 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.963 -5.230 8.969 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.605 -5.487 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.675 -4.335 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.478 -5.881 7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.130 -4.348 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.671 -3.048 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.064 -3.001 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.041 -3.658 6.348 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.899 -7.864 6.967 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.210 -9.278 6.879 1.00 0.00 C ATOM 1807 C ALA A 120 -3.673 -10.002 8.109 1.00 0.00 C ATOM 1808 O ALA A 120 -4.211 -11.025 8.538 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.608 -9.858 5.608 1.00 0.00 C ATOM 0 H ALA A 120 -3.397 -7.490 6.162 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.291 -9.412 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.844 -10.920 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.022 -9.343 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.526 -9.727 5.625 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.626 -9.424 8.690 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.991 -9.969 9.877 1.00 0.00 C ATOM 1817 C VAL A 121 -2.702 -9.494 11.144 1.00 0.00 C ATOM 1818 O VAL A 121 -2.747 -10.206 12.147 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.506 -9.554 9.920 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.072 -9.701 11.315 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.296 -10.363 8.912 1.00 0.00 C ATOM 0 H VAL A 121 -2.197 -8.564 8.348 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.060 -11.056 9.832 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.442 -8.500 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.120 -9.400 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.483 -9.068 12.007 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.005 -10.741 11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.342 -10.060 8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.216 -11.424 9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.094 -10.186 7.910 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.257 -8.287 11.085 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.978 -7.718 12.218 1.00 0.00 C ATOM 1833 C LEU A 122 -5.326 -8.408 12.378 1.00 0.00 C ATOM 1834 O LEU A 122 -5.754 -8.711 13.492 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.159 -6.204 12.022 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.603 -5.689 12.074 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.849 -4.930 13.368 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.896 -4.807 10.871 1.00 0.00 C ATOM 0 H LEU A 122 -3.221 -7.684 10.263 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.399 -7.879 13.127 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.582 -5.687 12.788 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.730 -5.928 11.059 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.278 -6.544 12.044 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.878 -4.571 13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.678 -5.592 14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.168 -4.081 13.427 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.925 -4.450 10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.216 -3.955 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.758 -5.382 9.956 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.985 -8.657 11.252 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.272 -9.333 11.251 1.00 0.00 C ATOM 1852 C GLN A 123 -7.124 -10.732 11.831 1.00 0.00 C ATOM 1853 O GLN A 123 -7.977 -11.197 12.587 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.837 -9.394 9.830 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.301 -8.044 9.304 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.795 -7.996 9.054 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.256 -8.188 7.929 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.564 -7.739 10.107 1.00 0.00 N ATOM 0 H GLN A 123 -5.645 -8.399 10.326 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.969 -8.771 11.872 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.075 -9.793 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.675 -10.091 9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.031 -7.268 10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.774 -7.819 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.141 -7.586 11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.577 -7.695 10.000 1.00 0.00 H new ATOM 1867 N ALA A 124 -6.007 -11.376 11.510 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.708 -12.695 12.046 1.00 0.00 C ATOM 1869 C ALA A 124 -5.495 -12.619 13.548 1.00 0.00 C ATOM 1870 O ALA A 124 -6.405 -12.920 14.319 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.479 -13.278 11.362 1.00 0.00 C ATOM 0 H ALA A 124 -5.295 -11.004 10.881 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.556 -13.351 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.267 -14.265 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.665 -13.363 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.624 -12.624 11.531 1.00 0.00 H new