USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= -0.721 K(o=-1,f=-1.6!) USER MOD Set 1.2: A 110 SER OG : rot 121:sc= -0.293 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.773 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0.117 USER MOD Set 2.3: A 57 MET CE :methyl -171:sc= -2.82! (180deg=-2.94!) USER MOD Single : A 60 SER OG : rot 64:sc= 0.24 USER MOD Single : A 66 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.93) USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= -0.0907 (180deg=-0.649) USER MOD Single : A 68 GLN : amide:sc= -0.0708 K(o=-0.071,f=-0.8) USER MOD Single : A 69 MET CE :methyl 176:sc= -1.65 (180deg=-1.69) USER MOD Single : A 79 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.2!) USER MOD Single : A 81 MET CE :methyl -157:sc= -3.3! (180deg=-4.94!) USER MOD Single : A 82 HIS : no HD1:sc= -4.98! C(o=-5!,f=-10!) USER MOD Single : A 84 THR OG1 : rot -47:sc= 0.45 USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= 0.0313 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -80:sc= -4.1! USER MOD Single : A 92 MET CE :methyl -162:sc= -0.15 (180deg=-1.07) USER MOD Single : A 98 ASN :FLIP amide:sc= 0.188 F(o=-1.8,f=0.19) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00301 USER MOD Single : A 104 MET CE :methyl -165:sc= -9.51! (180deg=-10.1!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.926 9.641 3.863 1.00 0.00 N ATOM 766 CA LEU A 53 2.072 9.223 4.665 1.00 0.00 C ATOM 767 C LEU A 53 2.782 8.034 4.024 1.00 0.00 C ATOM 768 O LEU A 53 2.142 7.081 3.578 1.00 0.00 O ATOM 769 CB LEU A 53 1.606 8.833 6.067 1.00 0.00 C ATOM 770 CG LEU A 53 2.149 9.663 7.241 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.428 9.047 7.778 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.376 11.113 6.851 1.00 0.00 C ATOM 0 HA LEU A 53 2.770 10.058 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.518 8.887 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.877 7.791 6.236 1.00 0.00 H new ATOM 0 HG LEU A 53 1.395 9.652 8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.800 9.647 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.226 8.033 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.178 9.018 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.760 11.665 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.098 11.162 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.433 11.555 6.528 1.00 0.00 H new ATOM 784 N THR A 54 4.109 8.098 3.985 1.00 0.00 N ATOM 785 CA THR A 54 4.925 7.019 3.435 1.00 0.00 C ATOM 786 C THR A 54 6.396 7.278 3.729 1.00 0.00 C ATOM 787 O THR A 54 6.740 8.259 4.389 1.00 0.00 O ATOM 788 CB THR A 54 4.712 6.866 1.925 1.00 0.00 C ATOM 789 OG1 THR A 54 3.693 7.735 1.462 1.00 0.00 O ATOM 790 CG2 THR A 54 4.338 5.455 1.516 1.00 0.00 C ATOM 0 H THR A 54 4.647 8.893 4.331 1.00 0.00 H new ATOM 0 HA THR A 54 4.616 6.089 3.913 1.00 0.00 H new ATOM 0 HB THR A 54 5.672 7.119 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.578 7.619 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.201 5.414 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.133 4.769 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.410 5.167 2.010 1.00 0.00 H new ATOM 798 N ALA A 55 7.260 6.400 3.232 1.00 0.00 N ATOM 799 CA ALA A 55 8.695 6.525 3.461 1.00 0.00 C ATOM 800 C ALA A 55 9.206 7.922 3.119 1.00 0.00 C ATOM 801 O ALA A 55 10.124 8.429 3.761 1.00 0.00 O ATOM 802 CB ALA A 55 9.447 5.478 2.661 1.00 0.00 C ATOM 0 H ALA A 55 6.992 5.594 2.668 1.00 0.00 H new ATOM 0 HA ALA A 55 8.874 6.362 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.517 5.582 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.123 4.484 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.242 5.615 1.599 1.00 0.00 H new ATOM 808 N SER A 56 8.614 8.538 2.099 1.00 0.00 N ATOM 809 CA SER A 56 9.020 9.875 1.676 1.00 0.00 C ATOM 810 C SER A 56 8.652 10.915 2.730 1.00 0.00 C ATOM 811 O SER A 56 9.479 11.744 3.116 1.00 0.00 O ATOM 812 CB SER A 56 8.365 10.233 0.340 1.00 0.00 C ATOM 813 OG SER A 56 7.749 9.099 -0.246 1.00 0.00 O ATOM 0 H SER A 56 7.854 8.134 1.552 1.00 0.00 H new ATOM 0 HA SER A 56 10.103 9.875 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.622 11.016 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.116 10.635 -0.340 1.00 0.00 H new ATOM 0 HG SER A 56 7.336 9.354 -1.097 1.00 0.00 H new ATOM 819 N MET A 57 7.409 10.859 3.197 1.00 0.00 N ATOM 820 CA MET A 57 6.932 11.784 4.219 1.00 0.00 C ATOM 821 C MET A 57 7.801 11.681 5.461 1.00 0.00 C ATOM 822 O MET A 57 8.150 12.686 6.080 1.00 0.00 O ATOM 823 CB MET A 57 5.479 11.466 4.583 1.00 0.00 C ATOM 824 CG MET A 57 4.453 11.954 3.568 1.00 0.00 C ATOM 825 SD MET A 57 5.137 12.187 1.915 1.00 0.00 S ATOM 826 CE MET A 57 5.032 10.520 1.268 1.00 0.00 C ATOM 0 H MET A 57 6.713 10.182 2.884 1.00 0.00 H new ATOM 0 HA MET A 57 6.988 12.798 3.824 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.374 10.387 4.697 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.254 11.912 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.634 11.237 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.030 12.897 3.914 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.561 10.465 0.317 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.485 9.826 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.986 10.253 1.117 1.00 0.00 H new ATOM 836 N LEU A 58 8.153 10.451 5.806 1.00 0.00 N ATOM 837 CA LEU A 58 9.001 10.184 6.956 1.00 0.00 C ATOM 838 C LEU A 58 10.381 10.787 6.754 1.00 0.00 C ATOM 839 O LEU A 58 10.938 11.415 7.654 1.00 0.00 O ATOM 840 CB LEU A 58 9.117 8.678 7.157 1.00 0.00 C ATOM 841 CG LEU A 58 7.786 7.935 7.186 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.971 6.498 6.725 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.175 7.990 8.577 1.00 0.00 C ATOM 0 H LEU A 58 7.860 9.615 5.299 1.00 0.00 H new ATOM 0 HA LEU A 58 8.554 10.639 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.731 8.265 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.643 8.489 8.093 1.00 0.00 H new ATOM 0 HG LEU A 58 7.097 8.425 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.012 5.981 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.360 6.490 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.674 5.992 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.226 7.455 8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.855 7.526 9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.006 9.029 8.859 1.00 0.00 H new ATOM 855 N ALA A 59 10.920 10.597 5.556 1.00 0.00 N ATOM 856 CA ALA A 59 12.232 11.129 5.210 1.00 0.00 C ATOM 857 C ALA A 59 12.234 12.655 5.259 1.00 0.00 C ATOM 858 O ALA A 59 13.286 13.286 5.176 1.00 0.00 O ATOM 859 CB ALA A 59 12.656 10.643 3.832 1.00 0.00 C ATOM 0 H ALA A 59 10.467 10.076 4.805 1.00 0.00 H new ATOM 0 HA ALA A 59 12.949 10.765 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.638 11.049 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.703 9.554 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.931 10.977 3.090 1.00 0.00 H new ATOM 865 N SER A 60 11.046 13.241 5.395 1.00 0.00 N ATOM 866 CA SER A 60 10.913 14.691 5.467 1.00 0.00 C ATOM 867 C SER A 60 11.140 15.191 6.891 1.00 0.00 C ATOM 868 O SER A 60 11.236 16.395 7.128 1.00 0.00 O ATOM 869 CB SER A 60 9.528 15.124 4.980 1.00 0.00 C ATOM 870 OG SER A 60 9.350 14.818 3.609 1.00 0.00 O ATOM 0 H SER A 60 10.164 12.733 5.457 1.00 0.00 H new ATOM 0 HA SER A 60 11.673 15.130 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.759 14.625 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.403 16.196 5.136 1.00 0.00 H new ATOM 0 HG SER A 60 9.381 13.846 3.484 1.00 0.00 H new ATOM 876 N ALA A 61 11.231 14.257 7.836 1.00 0.00 N ATOM 877 CA ALA A 61 11.454 14.605 9.239 1.00 0.00 C ATOM 878 C ALA A 61 12.543 13.731 9.868 1.00 0.00 C ATOM 879 O ALA A 61 12.329 13.129 10.920 1.00 0.00 O ATOM 880 CB ALA A 61 10.152 14.473 10.021 1.00 0.00 C ATOM 0 H ALA A 61 11.154 13.256 7.657 1.00 0.00 H new ATOM 0 HA ALA A 61 11.795 15.639 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.326 14.734 11.065 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.404 15.145 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.793 13.446 9.959 1.00 0.00 H new ATOM 946 N GLN A 66 10.814 11.042 12.089 1.00 0.00 N ATOM 947 CA GLN A 66 11.049 9.892 11.223 1.00 0.00 C ATOM 948 C GLN A 66 10.591 8.600 11.890 1.00 0.00 C ATOM 949 O GLN A 66 9.818 7.834 11.315 1.00 0.00 O ATOM 950 CB GLN A 66 12.535 9.792 10.867 1.00 0.00 C ATOM 951 CG GLN A 66 12.794 9.163 9.508 1.00 0.00 C ATOM 952 CD GLN A 66 13.581 7.871 9.603 1.00 0.00 C ATOM 953 OE1 GLN A 66 13.474 7.135 10.584 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.381 7.587 8.581 1.00 0.00 N ATOM 0 HA GLN A 66 10.468 10.034 10.312 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.972 10.790 10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.045 9.207 11.632 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.842 8.968 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.338 9.870 8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.440 8.225 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.936 6.731 8.590 1.00 0.00 H new ATOM 963 N LYS A 67 11.071 8.365 13.108 1.00 0.00 N ATOM 964 CA LYS A 67 10.710 7.163 13.851 1.00 0.00 C ATOM 965 C LYS A 67 9.611 7.455 14.867 1.00 0.00 C ATOM 966 O LYS A 67 9.574 6.861 15.945 1.00 0.00 O ATOM 967 CB LYS A 67 11.936 6.584 14.560 1.00 0.00 C ATOM 968 CG LYS A 67 12.829 7.635 15.200 1.00 0.00 C ATOM 969 CD LYS A 67 14.298 7.373 14.905 1.00 0.00 C ATOM 970 CE LYS A 67 14.886 6.345 15.858 1.00 0.00 C ATOM 971 NZ LYS A 67 14.848 6.812 17.271 1.00 0.00 N ATOM 0 H LYS A 67 11.710 8.990 13.600 1.00 0.00 H new ATOM 0 HA LYS A 67 10.333 6.430 13.138 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.604 5.886 15.329 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.522 6.011 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.553 8.623 14.830 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.669 7.642 16.278 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.407 7.022 13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.857 8.305 14.984 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.333 5.410 15.770 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.917 6.134 15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.604 6.345 17.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.987 7.842 17.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.926 6.575 17.690 1.00 0.00 H new ATOM 985 N GLN A 68 8.701 8.357 14.506 1.00 0.00 N ATOM 986 CA GLN A 68 7.595 8.717 15.386 1.00 0.00 C ATOM 987 C GLN A 68 6.270 8.727 14.629 1.00 0.00 C ATOM 988 O GLN A 68 5.291 8.123 15.066 1.00 0.00 O ATOM 989 CB GLN A 68 7.843 10.088 16.015 1.00 0.00 C ATOM 990 CG GLN A 68 8.981 10.097 17.022 1.00 0.00 C ATOM 991 CD GLN A 68 8.536 9.675 18.408 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.454 10.046 18.865 1.00 0.00 O ATOM 993 NE2 GLN A 68 9.369 8.894 19.086 1.00 0.00 N ATOM 0 H GLN A 68 8.709 8.850 13.613 1.00 0.00 H new ATOM 0 HA GLN A 68 7.535 7.966 16.173 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.062 10.807 15.225 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.930 10.423 16.507 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.770 9.428 16.679 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.410 11.098 17.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.256 8.610 18.669 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.122 8.578 20.024 1.00 0.00 H new ATOM 1002 N MET A 69 6.251 9.409 13.488 1.00 0.00 N ATOM 1003 CA MET A 69 5.041 9.524 12.680 1.00 0.00 C ATOM 1004 C MET A 69 4.795 8.273 11.842 1.00 0.00 C ATOM 1005 O MET A 69 3.751 8.143 11.202 1.00 0.00 O ATOM 1006 CB MET A 69 5.138 10.747 11.764 1.00 0.00 C ATOM 1007 CG MET A 69 6.241 10.642 10.719 1.00 0.00 C ATOM 1008 SD MET A 69 5.676 11.103 9.070 1.00 0.00 S ATOM 1009 CE MET A 69 6.732 12.504 8.721 1.00 0.00 C ATOM 0 H MET A 69 7.062 9.892 13.101 1.00 0.00 H new ATOM 0 HA MET A 69 4.200 9.639 13.363 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.183 10.888 11.258 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.310 11.634 12.374 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.073 11.285 11.007 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.620 9.620 10.697 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.549 12.854 7.705 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.516 13.307 9.426 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.776 12.206 8.819 1.00 0.00 H new ATOM 1019 N LEU A 70 5.759 7.357 11.836 1.00 0.00 N ATOM 1020 CA LEU A 70 5.635 6.127 11.057 1.00 0.00 C ATOM 1021 C LEU A 70 4.440 5.298 11.510 1.00 0.00 C ATOM 1022 O LEU A 70 3.813 4.610 10.706 1.00 0.00 O ATOM 1023 CB LEU A 70 6.903 5.265 11.144 1.00 0.00 C ATOM 1024 CG LEU A 70 7.890 5.590 12.276 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.183 5.731 13.615 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.949 4.506 12.362 1.00 0.00 C ATOM 0 H LEU A 70 6.631 7.441 12.359 1.00 0.00 H new ATOM 0 HA LEU A 70 5.488 6.435 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.598 4.224 11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.435 5.348 10.196 1.00 0.00 H new ATOM 0 HG LEU A 70 8.360 6.546 12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.914 5.961 14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.451 6.536 13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.677 4.797 13.859 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.646 4.741 13.166 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.472 3.547 12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.490 4.450 11.417 1.00 0.00 H new ATOM 1038 N GLY A 71 4.152 5.328 12.804 1.00 0.00 N ATOM 1039 CA GLY A 71 3.041 4.556 13.321 1.00 0.00 C ATOM 1040 C GLY A 71 2.229 5.314 14.356 1.00 0.00 C ATOM 1041 O GLY A 71 1.625 4.710 15.242 1.00 0.00 O ATOM 0 H GLY A 71 4.664 5.869 13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.390 4.267 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.420 3.636 13.766 1.00 0.00 H new ATOM 1045 N GLU A 72 2.210 6.641 14.241 1.00 0.00 N ATOM 1046 CA GLU A 72 1.457 7.478 15.171 1.00 0.00 C ATOM 1047 C GLU A 72 0.718 8.593 14.434 1.00 0.00 C ATOM 1048 O GLU A 72 -0.097 9.305 15.020 1.00 0.00 O ATOM 1049 CB GLU A 72 2.392 8.065 16.240 1.00 0.00 C ATOM 1050 CG GLU A 72 2.815 9.506 15.984 1.00 0.00 C ATOM 1051 CD GLU A 72 2.851 10.338 17.253 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.965 10.148 18.112 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.766 11.178 17.386 1.00 0.00 O ATOM 0 H GLU A 72 2.706 7.158 13.515 1.00 0.00 H new ATOM 0 HA GLU A 72 0.713 6.852 15.663 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.895 8.012 17.209 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.285 7.443 16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.801 9.514 15.520 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.125 9.963 15.274 1.00 0.00 H new ATOM 1060 N ARG A 73 0.988 8.718 13.139 1.00 0.00 N ATOM 1061 CA ARG A 73 0.350 9.733 12.313 1.00 0.00 C ATOM 1062 C ARG A 73 -0.301 9.080 11.104 1.00 0.00 C ATOM 1063 O ARG A 73 -1.203 9.643 10.483 1.00 0.00 O ATOM 1064 CB ARG A 73 1.380 10.770 11.859 1.00 0.00 C ATOM 1065 CG ARG A 73 0.834 12.187 11.803 1.00 0.00 C ATOM 1066 CD ARG A 73 0.512 12.604 10.378 1.00 0.00 C ATOM 1067 NE ARG A 73 0.295 14.044 10.267 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.908 14.603 10.182 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -1.998 13.848 10.195 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.021 15.922 10.085 1.00 0.00 N ATOM 0 H ARG A 73 1.649 8.124 12.638 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.417 10.237 12.902 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.232 10.745 12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.751 10.493 10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.065 12.256 12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.563 12.876 12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.329 12.308 9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.378 12.076 10.038 1.00 0.00 H new ATOM 0 HE ARG A 73 1.112 14.655 10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.915 12.834 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.919 14.281 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.185 16.506 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.944 16.351 10.020 1.00 0.00 H new ATOM 1084 N LEU A 74 0.154 7.873 10.797 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.369 7.109 9.678 1.00 0.00 C ATOM 1086 C LEU A 74 -1.696 6.457 10.017 1.00 0.00 C ATOM 1087 O LEU A 74 -2.514 6.209 9.136 1.00 0.00 O ATOM 1088 CB LEU A 74 0.619 6.018 9.304 1.00 0.00 C ATOM 1089 CG LEU A 74 1.418 6.288 8.050 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.810 5.706 8.189 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.693 5.728 6.835 1.00 0.00 C ATOM 0 H LEU A 74 0.893 7.399 11.316 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.520 7.800 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.310 5.874 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.074 5.083 9.176 1.00 0.00 H new ATOM 0 HG LEU A 74 1.518 7.364 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.380 5.905 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.313 6.164 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.740 4.630 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.278 5.929 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.565 4.652 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.284 6.202 6.744 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.857 6.108 11.285 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.051 5.421 11.759 1.00 0.00 C ATOM 1105 C PHE A 75 -4.331 5.973 11.114 1.00 0.00 C ATOM 1106 O PHE A 75 -5.105 5.213 10.524 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.123 5.518 13.286 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.469 4.230 13.983 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.308 3.004 13.351 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -3.929 4.246 15.290 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -3.616 1.826 14.004 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -4.239 3.071 15.947 1.00 0.00 C ATOM 1113 CZ PHE A 75 -4.082 1.860 15.303 1.00 0.00 C ATOM 0 H PHE A 75 -1.166 6.292 12.013 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.980 4.374 11.464 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.162 5.870 13.660 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.864 6.271 13.554 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.938 2.971 12.337 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.047 5.190 15.802 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.492 0.880 13.499 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.604 3.100 16.963 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.323 0.940 15.815 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.569 7.300 11.181 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.762 7.906 10.580 1.00 0.00 C ATOM 1125 C PRO A 76 -5.732 7.845 9.054 1.00 0.00 C ATOM 1126 O PRO A 76 -6.772 7.921 8.400 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.713 9.359 11.060 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.276 9.614 11.356 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.714 8.308 11.842 1.00 0.00 C ATOM 0 HA PRO A 76 -6.673 7.383 10.871 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.086 10.041 10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.331 9.504 11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.750 9.958 10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.166 10.392 12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.667 8.192 11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.765 8.228 12.928 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.534 7.694 8.495 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.363 7.629 7.050 1.00 0.00 C ATOM 1139 C LEU A 77 -4.489 6.195 6.540 1.00 0.00 C ATOM 1140 O LEU A 77 -4.737 5.971 5.355 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.006 8.212 6.659 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.836 9.699 6.976 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.400 10.135 6.740 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.792 10.536 6.141 1.00 0.00 C ATOM 0 H LEU A 77 -3.666 7.614 9.025 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.155 8.219 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.224 7.653 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.856 8.062 5.590 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.073 9.854 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.299 11.195 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.734 9.559 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.135 9.964 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.656 11.591 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.587 10.375 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.819 10.243 6.361 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.320 5.225 7.435 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.450 3.820 7.067 1.00 0.00 C ATOM 1158 C ILE A 78 -5.909 3.479 6.811 1.00 0.00 C ATOM 1159 O ILE A 78 -6.227 2.689 5.923 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.911 2.884 8.156 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.480 3.270 8.530 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.975 1.437 7.690 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.465 2.971 7.449 1.00 0.00 C ATOM 0 H ILE A 78 -4.094 5.386 8.416 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.859 3.673 6.163 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.535 2.986 9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.449 4.335 8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.196 2.739 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.589 0.785 8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.009 1.170 7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.373 1.318 6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.474 3.272 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.466 1.902 7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.723 3.523 6.545 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.794 4.094 7.593 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.231 3.901 7.423 1.00 0.00 C ATOM 1177 C GLN A 79 -8.625 4.184 5.978 1.00 0.00 C ATOM 1178 O GLN A 79 -9.701 3.802 5.520 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.001 4.830 8.361 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.472 4.159 9.640 1.00 0.00 C ATOM 1181 CD GLN A 79 -8.968 4.860 10.886 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -8.266 4.266 11.704 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.326 6.129 11.035 1.00 0.00 N ATOM 0 H GLN A 79 -6.541 4.729 8.350 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.479 2.868 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.366 5.678 8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.866 5.229 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.562 4.138 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.133 3.123 9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.909 6.580 10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.018 6.653 11.854 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.733 4.866 5.276 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.930 5.194 3.871 1.00 0.00 C ATOM 1194 C ALA A 80 -7.568 4.007 2.987 1.00 0.00 C ATOM 1195 O ALA A 80 -8.222 3.750 1.976 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.085 6.399 3.494 1.00 0.00 C ATOM 0 H ALA A 80 -6.853 5.208 5.663 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.982 5.433 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.239 6.637 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.376 7.253 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.032 6.173 3.665 1.00 0.00 H new ATOM 1202 N MET A 81 -6.507 3.298 3.367 1.00 0.00 N ATOM 1203 CA MET A 81 -6.055 2.133 2.613 1.00 0.00 C ATOM 1204 C MET A 81 -7.045 0.987 2.755 1.00 0.00 C ATOM 1205 O MET A 81 -7.344 0.280 1.792 1.00 0.00 O ATOM 1206 CB MET A 81 -4.680 1.669 3.103 1.00 0.00 C ATOM 1207 CG MET A 81 -3.777 2.791 3.585 1.00 0.00 C ATOM 1208 SD MET A 81 -2.374 3.062 2.495 1.00 0.00 S ATOM 1209 CE MET A 81 -1.080 2.312 3.470 1.00 0.00 C ATOM 0 H MET A 81 -5.946 3.510 4.192 1.00 0.00 H new ATOM 0 HA MET A 81 -5.984 2.424 1.565 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.819 0.955 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.179 1.138 2.294 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.356 3.711 3.662 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.415 2.557 4.586 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.116 2.726 3.175 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.255 2.517 4.526 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.078 1.235 3.305 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.528 0.800 3.974 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.453 -0.279 4.280 1.00 0.00 C ATOM 1221 C HIS A 82 -9.751 0.265 4.862 1.00 0.00 C ATOM 1222 O HIS A 82 -9.752 1.319 5.491 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.800 -1.231 5.280 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.015 -2.330 4.637 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.175 -3.638 5.015 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.076 -2.261 3.661 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.343 -4.338 4.263 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.651 -3.544 3.434 1.00 0.00 N ATOM 0 H HIS A 82 -7.292 1.388 4.773 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.689 -0.810 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.141 -0.661 5.935 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.574 -1.669 5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.730 -1.369 3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.235 -5.412 4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.943 -3.839 2.762 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.876 -0.450 4.672 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.173 -0.032 5.215 1.00 0.00 C ATOM 1238 C PRO A 83 -12.120 0.131 6.731 1.00 0.00 C ATOM 1239 O PRO A 83 -12.479 -0.783 7.474 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.125 -1.170 4.825 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.241 -2.324 4.485 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.971 -1.728 3.949 1.00 0.00 C ATOM 0 HA PRO A 83 -12.487 0.937 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.798 -1.418 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.748 -0.888 3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.044 -2.937 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.711 -2.971 3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.111 -2.368 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.019 -1.579 2.870 1.00 0.00 H new ATOM 1250 N THR A 84 -11.643 1.296 7.171 1.00 0.00 N ATOM 1251 CA THR A 84 -11.490 1.604 8.592 1.00 0.00 C ATOM 1252 C THR A 84 -10.969 0.395 9.373 1.00 0.00 C ATOM 1253 O THR A 84 -11.367 0.157 10.514 1.00 0.00 O ATOM 1254 CB THR A 84 -12.815 2.099 9.187 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.615 2.607 10.494 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.891 1.037 9.268 1.00 0.00 C ATOM 0 H THR A 84 -11.352 2.052 6.552 1.00 0.00 H new ATOM 0 HA THR A 84 -10.752 2.401 8.679 1.00 0.00 H new ATOM 0 HB THR A 84 -13.157 2.874 8.501 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.076 1.973 11.012 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.795 1.467 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.109 0.663 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.545 0.216 9.895 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.063 -0.357 8.750 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.484 -1.539 9.377 1.00 0.00 C ATOM 1266 C LEU A 85 -8.204 -1.188 10.129 1.00 0.00 C ATOM 1267 O LEU A 85 -7.493 -2.072 10.608 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.187 -2.606 8.321 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.241 -3.708 8.196 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.323 -4.206 6.761 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.926 -4.855 9.143 1.00 0.00 C ATOM 0 H LEU A 85 -9.715 -0.166 7.810 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.208 -1.930 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.079 -2.117 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.227 -3.068 8.553 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.210 -3.292 8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.078 -4.989 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.595 -3.380 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.355 -4.606 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.686 -5.630 9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.948 -5.271 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.918 -4.488 10.169 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.916 0.106 10.224 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.715 0.580 10.904 1.00 0.00 C ATOM 1285 C ALA A 86 -6.888 0.572 12.419 1.00 0.00 C ATOM 1286 O ALA A 86 -6.499 1.520 13.101 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.355 1.976 10.419 1.00 0.00 C ATOM 0 H ALA A 86 -8.500 0.848 9.837 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.901 -0.103 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.457 2.320 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.171 1.952 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.178 2.658 10.631 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.459 -0.508 12.942 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.631 -0.630 14.376 1.00 0.00 C ATOM 1295 C GLY A 87 -6.329 -0.983 15.064 1.00 0.00 C ATOM 1296 O GLY A 87 -6.225 -0.914 16.289 1.00 0.00 O ATOM 0 H GLY A 87 -7.805 -1.299 12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.014 0.308 14.779 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.376 -1.396 14.590 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.333 -1.355 14.263 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.020 -1.719 14.779 1.00 0.00 C ATOM 1302 C LYS A 88 -3.046 -1.996 13.635 1.00 0.00 C ATOM 1303 O LYS A 88 -2.175 -2.855 13.744 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.124 -2.951 15.688 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.821 -3.316 16.387 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.291 -2.167 17.226 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.817 -1.921 16.954 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.145 -1.240 18.096 1.00 0.00 N ATOM 0 H LYS A 88 -5.414 -1.412 13.248 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.641 -0.880 15.363 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.891 -2.770 16.442 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.456 -3.802 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.981 -4.187 17.023 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.076 -3.597 15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.859 -1.263 17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.436 -2.388 18.283 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.321 -2.871 16.756 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.711 -1.313 16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.758 -0.836 17.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.757 -0.480 18.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.033 -1.929 18.855 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.213 -1.298 12.518 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.320 -1.490 11.388 1.00 0.00 C ATOM 1324 C ILE A 89 -1.015 -0.721 11.584 1.00 0.00 C ATOM 1325 O ILE A 89 -0.062 -1.252 12.149 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.979 -1.095 10.057 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.261 -1.909 9.857 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.008 -1.328 8.910 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.149 -1.404 8.741 1.00 0.00 C ATOM 0 H ILE A 89 -3.947 -0.605 12.373 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.094 -2.555 11.340 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.238 -0.036 10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.992 -2.945 9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.829 -1.906 10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.481 -1.046 7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.114 -0.723 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.732 -2.382 8.875 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.034 -2.036 8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.452 -0.378 8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.602 -1.434 7.799 1.00 0.00 H new ATOM 1341 N THR A 90 -0.987 0.532 11.132 1.00 0.00 N ATOM 1342 CA THR A 90 0.200 1.377 11.257 1.00 0.00 C ATOM 1343 C THR A 90 0.733 1.373 12.684 1.00 0.00 C ATOM 1344 O THR A 90 1.944 1.319 12.901 1.00 0.00 O ATOM 1345 CB THR A 90 -0.139 2.802 10.812 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.533 3.109 9.603 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.206 3.889 11.813 1.00 0.00 C ATOM 0 H THR A 90 -1.777 0.986 10.674 1.00 0.00 H new ATOM 0 HA THR A 90 0.983 0.975 10.614 1.00 0.00 H new ATOM 0 HB THR A 90 -1.223 2.799 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.462 3.352 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.072 4.861 11.405 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.339 3.715 12.741 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.277 3.873 12.013 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.170 1.450 13.655 1.00 0.00 N ATOM 1356 CA GLY A 91 0.248 1.421 15.040 1.00 0.00 C ATOM 1357 C GLY A 91 1.074 0.189 15.333 1.00 0.00 C ATOM 1358 O GLY A 91 1.992 0.219 16.154 1.00 0.00 O ATOM 0 H GLY A 91 -1.176 1.531 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.829 2.315 15.267 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.628 1.438 15.688 1.00 0.00 H new ATOM 1362 N MET A 92 0.766 -0.890 14.622 1.00 0.00 N ATOM 1363 CA MET A 92 1.494 -2.143 14.781 1.00 0.00 C ATOM 1364 C MET A 92 2.753 -2.126 13.937 1.00 0.00 C ATOM 1365 O MET A 92 3.725 -2.808 14.246 1.00 0.00 O ATOM 1366 CB MET A 92 0.598 -3.333 14.414 1.00 0.00 C ATOM 1367 CG MET A 92 1.282 -4.418 13.603 1.00 0.00 C ATOM 1368 SD MET A 92 0.595 -6.053 13.913 1.00 0.00 S ATOM 1369 CE MET A 92 -0.529 -6.199 12.529 1.00 0.00 C ATOM 0 H MET A 92 0.017 -0.922 13.930 1.00 0.00 H new ATOM 0 HA MET A 92 1.786 -2.253 15.825 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.211 -3.775 15.332 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.259 -2.964 13.851 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.191 -4.185 12.542 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.346 -4.425 13.838 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.255 -6.986 12.732 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.050 -5.253 12.382 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.033 -6.447 11.629 1.00 0.00 H new ATOM 1379 N LEU A 93 2.743 -1.300 12.899 1.00 0.00 N ATOM 1380 CA LEU A 93 3.896 -1.158 12.026 1.00 0.00 C ATOM 1381 C LEU A 93 5.099 -0.661 12.813 1.00 0.00 C ATOM 1382 O LEU A 93 6.222 -0.634 12.309 1.00 0.00 O ATOM 1383 CB LEU A 93 3.573 -0.206 10.885 1.00 0.00 C ATOM 1384 CG LEU A 93 2.967 -0.869 9.645 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.989 -1.776 8.977 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.721 -1.652 10.018 1.00 0.00 C ATOM 0 H LEU A 93 1.946 -0.718 12.642 1.00 0.00 H new ATOM 0 HA LEU A 93 4.141 -2.134 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.880 0.552 11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.487 0.311 10.593 1.00 0.00 H new ATOM 0 HG LEU A 93 2.684 -0.090 8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.543 -2.240 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.856 -1.188 8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.301 -2.551 9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.303 -2.117 9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.980 -2.424 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.985 -0.977 10.455 1.00 0.00 H new ATOM 1398 N LEU A 94 4.853 -0.275 14.057 1.00 0.00 N ATOM 1399 CA LEU A 94 5.913 0.150 14.948 1.00 0.00 C ATOM 1400 C LEU A 94 6.182 -0.953 15.962 1.00 0.00 C ATOM 1401 O LEU A 94 6.616 -0.696 17.085 1.00 0.00 O ATOM 1402 CB LEU A 94 5.515 1.444 15.657 1.00 0.00 C ATOM 1403 CG LEU A 94 6.064 2.729 15.031 1.00 0.00 C ATOM 1404 CD1 LEU A 94 5.844 2.732 13.521 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.412 3.941 15.677 1.00 0.00 C ATOM 0 H LEU A 94 3.921 -0.249 14.470 1.00 0.00 H new ATOM 0 HA LEU A 94 6.820 0.341 14.375 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.427 1.507 15.680 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.853 1.391 16.692 1.00 0.00 H new ATOM 0 HG LEU A 94 7.138 2.775 15.211 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.242 3.654 13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.356 1.878 13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.777 2.666 13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.808 4.851 15.226 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.334 3.899 15.523 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.626 3.943 16.746 1.00 0.00 H new ATOM 1417 N GLU A 95 5.878 -2.185 15.555 1.00 0.00 N ATOM 1418 CA GLU A 95 6.046 -3.348 16.418 1.00 0.00 C ATOM 1419 C GLU A 95 5.916 -4.650 15.627 1.00 0.00 C ATOM 1420 O GLU A 95 6.045 -5.738 16.188 1.00 0.00 O ATOM 1421 CB GLU A 95 5.015 -3.320 17.552 1.00 0.00 C ATOM 1422 CG GLU A 95 3.645 -3.852 17.152 1.00 0.00 C ATOM 1423 CD GLU A 95 2.782 -4.198 18.349 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.460 -3.283 19.135 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.429 -5.387 18.502 1.00 0.00 O ATOM 0 H GLU A 95 5.512 -2.401 14.628 1.00 0.00 H new ATOM 0 HA GLU A 95 7.049 -3.307 16.843 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.393 -3.908 18.388 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.907 -2.295 17.907 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.133 -3.107 16.543 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.771 -4.739 16.531 1.00 0.00 H new ATOM 1432 N ILE A 96 5.701 -4.532 14.316 1.00 0.00 N ATOM 1433 CA ILE A 96 5.552 -5.708 13.454 1.00 0.00 C ATOM 1434 C ILE A 96 6.821 -6.557 13.429 1.00 0.00 C ATOM 1435 O ILE A 96 7.635 -6.524 14.352 1.00 0.00 O ATOM 1436 CB ILE A 96 5.230 -5.329 11.988 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.407 -4.596 11.329 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.960 -4.504 11.890 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.891 -3.379 12.077 1.00 0.00 C ATOM 0 H ILE A 96 5.626 -3.639 13.829 1.00 0.00 H new ATOM 0 HA ILE A 96 4.723 -6.270 13.883 1.00 0.00 H new ATOM 0 HB ILE A 96 5.065 -6.259 11.445 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.238 -5.294 11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.112 -4.294 10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.766 -4.257 10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.123 -5.076 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.078 -3.585 12.465 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.723 -2.927 11.537 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.079 -2.657 12.162 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.221 -3.672 13.074 1.00 0.00 H new ATOM 1451 N ASP A 97 6.989 -7.289 12.329 1.00 0.00 N ATOM 1452 CA ASP A 97 8.158 -8.123 12.109 1.00 0.00 C ATOM 1453 C ASP A 97 9.439 -7.293 12.124 1.00 0.00 C ATOM 1454 O ASP A 97 10.536 -7.835 11.982 1.00 0.00 O ATOM 1455 CB ASP A 97 8.013 -8.830 10.762 1.00 0.00 C ATOM 1456 CG ASP A 97 8.688 -10.189 10.738 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.705 -10.359 11.442 1.00 0.00 O ATOM 1458 OD2 ASP A 97 8.199 -11.081 10.014 1.00 0.00 O ATOM 0 H ASP A 97 6.313 -7.317 11.566 1.00 0.00 H new ATOM 0 HA ASP A 97 8.225 -8.855 12.914 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.954 -8.951 10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.440 -8.203 9.979 1.00 0.00 H new ATOM 1463 N ASN A 98 9.279 -5.975 12.271 1.00 0.00 N ATOM 1464 CA ASN A 98 10.397 -5.033 12.295 1.00 0.00 C ATOM 1465 C ASN A 98 10.902 -4.746 10.890 1.00 0.00 C ATOM 1466 O ASN A 98 11.319 -3.629 10.583 1.00 0.00 O ATOM 1467 CB ASN A 98 11.541 -5.539 13.181 1.00 0.00 C ATOM 1468 CG ASN A 98 12.778 -5.924 12.389 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.604 -4.935 12.066 1.00 0.00 O flip ATOM 1470 ND2 ASN A 98 12.995 -7.096 12.080 1.00 0.00 N flip ATOM 0 H ASN A 98 8.367 -5.532 12.377 1.00 0.00 H new ATOM 0 HA ASN A 98 10.025 -4.103 12.724 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.804 -4.765 13.902 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.198 -6.402 13.751 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.334 -7.825 12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.836 -7.338 11.556 1.00 0.00 H new ATOM 1477 N SER A 99 10.863 -5.761 10.043 1.00 0.00 N ATOM 1478 CA SER A 99 11.292 -5.611 8.659 1.00 0.00 C ATOM 1479 C SER A 99 10.338 -4.687 7.919 1.00 0.00 C ATOM 1480 O SER A 99 10.712 -4.035 6.947 1.00 0.00 O ATOM 1481 CB SER A 99 11.361 -6.966 7.959 1.00 0.00 C ATOM 1482 OG SER A 99 11.834 -7.972 8.838 1.00 0.00 O ATOM 0 H SER A 99 10.540 -6.697 10.287 1.00 0.00 H new ATOM 0 HA SER A 99 12.291 -5.175 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.373 -7.238 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.018 -6.898 7.092 1.00 0.00 H new ATOM 0 HG SER A 99 11.867 -8.830 8.366 1.00 0.00 H new ATOM 1488 N GLU A 100 9.103 -4.631 8.406 1.00 0.00 N ATOM 1489 CA GLU A 100 8.095 -3.750 7.835 1.00 0.00 C ATOM 1490 C GLU A 100 8.237 -2.358 8.430 1.00 0.00 C ATOM 1491 O GLU A 100 7.861 -1.365 7.810 1.00 0.00 O ATOM 1492 CB GLU A 100 6.698 -4.306 8.085 1.00 0.00 C ATOM 1493 CG GLU A 100 6.651 -5.824 8.129 1.00 0.00 C ATOM 1494 CD GLU A 100 5.339 -6.384 7.616 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.302 -5.704 7.771 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.347 -7.503 7.062 1.00 0.00 O ATOM 0 H GLU A 100 8.777 -5.187 9.196 1.00 0.00 H new ATOM 0 HA GLU A 100 8.244 -3.688 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.321 -3.911 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.029 -3.952 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.471 -6.226 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.808 -6.159 9.154 1.00 0.00 H new ATOM 1503 N LEU A 101 8.822 -2.297 9.622 1.00 0.00 N ATOM 1504 CA LEU A 101 9.092 -1.025 10.274 1.00 0.00 C ATOM 1505 C LEU A 101 10.277 -0.351 9.596 1.00 0.00 C ATOM 1506 O LEU A 101 10.398 0.872 9.594 1.00 0.00 O ATOM 1507 CB LEU A 101 9.389 -1.234 11.762 1.00 0.00 C ATOM 1508 CG LEU A 101 9.993 -0.026 12.481 1.00 0.00 C ATOM 1509 CD1 LEU A 101 8.911 0.759 13.206 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.076 -0.470 13.453 1.00 0.00 C ATOM 0 H LEU A 101 9.117 -3.115 10.155 1.00 0.00 H new ATOM 0 HA LEU A 101 8.211 -0.389 10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.463 -1.511 12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.072 -2.077 11.865 1.00 0.00 H new ATOM 0 HG LEU A 101 10.448 0.626 11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.359 1.614 13.712 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.171 1.109 12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.426 0.116 13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.494 0.402 13.955 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.646 -1.144 14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.865 -0.987 12.907 1.00 0.00 H new ATOM 1522 N LEU A 102 11.143 -1.175 9.017 1.00 0.00 N ATOM 1523 CA LEU A 102 12.333 -0.689 8.326 1.00 0.00 C ATOM 1524 C LEU A 102 12.033 -0.385 6.870 1.00 0.00 C ATOM 1525 O LEU A 102 12.393 0.675 6.361 1.00 0.00 O ATOM 1526 CB LEU A 102 13.451 -1.732 8.418 1.00 0.00 C ATOM 1527 CG LEU A 102 14.473 -1.492 9.532 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.832 -1.675 10.899 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.664 -2.426 9.370 1.00 0.00 C ATOM 0 H LEU A 102 11.042 -2.190 9.012 1.00 0.00 H new ATOM 0 HA LEU A 102 12.654 0.234 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.000 -2.713 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.977 -1.763 7.464 1.00 0.00 H new ATOM 0 HG LEU A 102 14.827 -0.464 9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.576 -1.500 11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.013 -0.966 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.447 -2.691 10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.382 -2.243 10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.324 -3.461 9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.140 -2.244 8.407 1.00 0.00 H new ATOM 1541 N HIS A 103 11.372 -1.319 6.203 1.00 0.00 N ATOM 1542 CA HIS A 103 11.051 -1.163 4.799 1.00 0.00 C ATOM 1543 C HIS A 103 10.107 0.012 4.568 1.00 0.00 C ATOM 1544 O HIS A 103 10.266 0.756 3.602 1.00 0.00 O ATOM 1545 CB HIS A 103 10.428 -2.454 4.272 1.00 0.00 C ATOM 1546 CG HIS A 103 11.027 -2.937 2.988 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.966 -2.196 2.310 1.00 0.00 N ATOM 1548 CD2 HIS A 103 10.789 -4.082 2.304 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.277 -2.901 1.236 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.588 -4.051 1.192 1.00 0.00 N ATOM 0 H HIS A 103 11.048 -2.194 6.616 1.00 0.00 H new ATOM 0 HA HIS A 103 11.974 -0.954 4.258 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.536 -3.233 5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.359 -2.297 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.102 -4.868 2.582 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.994 -2.591 0.490 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.648 -4.767 0.468 1.00 0.00 H new ATOM 1558 N MET A 104 9.118 0.171 5.446 1.00 0.00 N ATOM 1559 CA MET A 104 8.149 1.254 5.312 1.00 0.00 C ATOM 1560 C MET A 104 8.843 2.614 5.264 1.00 0.00 C ATOM 1561 O MET A 104 8.425 3.503 4.526 1.00 0.00 O ATOM 1562 CB MET A 104 7.153 1.227 6.472 1.00 0.00 C ATOM 1563 CG MET A 104 7.755 1.718 7.771 1.00 0.00 C ATOM 1564 SD MET A 104 6.823 1.196 9.219 1.00 0.00 S ATOM 1565 CE MET A 104 5.152 1.488 8.653 1.00 0.00 C ATOM 0 H MET A 104 8.968 -0.434 6.254 1.00 0.00 H new ATOM 0 HA MET A 104 7.614 1.104 4.374 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.291 1.845 6.220 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.787 0.209 6.608 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.778 1.351 7.853 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.807 2.807 7.752 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.472 1.472 9.504 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.098 2.460 8.163 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.866 0.709 7.946 1.00 0.00 H new ATOM 1575 N LEU A 105 9.890 2.778 6.073 1.00 0.00 N ATOM 1576 CA LEU A 105 10.642 4.029 6.107 1.00 0.00 C ATOM 1577 C LEU A 105 11.711 4.029 5.032 1.00 0.00 C ATOM 1578 O LEU A 105 12.394 5.029 4.813 1.00 0.00 O ATOM 1579 CB LEU A 105 11.313 4.231 7.470 1.00 0.00 C ATOM 1580 CG LEU A 105 10.528 3.716 8.672 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.423 3.651 9.900 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.327 4.602 8.935 1.00 0.00 C ATOM 0 H LEU A 105 10.235 2.061 6.711 1.00 0.00 H new ATOM 0 HA LEU A 105 9.938 4.842 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.284 3.737 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.499 5.296 7.609 1.00 0.00 H new ATOM 0 HG LEU A 105 10.173 2.709 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.849 3.282 10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.258 2.978 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.805 4.647 10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.776 4.222 9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.663 5.619 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.677 4.603 8.060 1.00 0.00 H new ATOM 1594 N GLU A 106 11.872 2.883 4.390 1.00 0.00 N ATOM 1595 CA GLU A 106 12.907 2.716 3.388 1.00 0.00 C ATOM 1596 C GLU A 106 12.328 2.617 1.981 1.00 0.00 C ATOM 1597 O GLU A 106 13.072 2.599 1.000 1.00 0.00 O ATOM 1598 CB GLU A 106 13.724 1.464 3.708 1.00 0.00 C ATOM 1599 CG GLU A 106 14.710 1.665 4.841 1.00 0.00 C ATOM 1600 CD GLU A 106 15.647 2.834 4.605 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.321 2.852 3.554 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.706 3.732 5.471 1.00 0.00 O ATOM 0 H GLU A 106 11.297 2.055 4.547 1.00 0.00 H new ATOM 0 HA GLU A 106 13.548 3.597 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.045 0.652 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.266 1.154 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.162 1.826 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.297 0.756 4.971 1.00 0.00 H new ATOM 1609 N SER A 107 11.005 2.560 1.881 1.00 0.00 N ATOM 1610 CA SER A 107 10.355 2.451 0.579 1.00 0.00 C ATOM 1611 C SER A 107 9.009 3.172 0.558 1.00 0.00 C ATOM 1612 O SER A 107 8.164 2.951 1.425 1.00 0.00 O ATOM 1613 CB SER A 107 10.157 0.980 0.212 1.00 0.00 C ATOM 1614 OG SER A 107 10.223 0.788 -1.190 1.00 0.00 O ATOM 0 H SER A 107 10.367 2.587 2.676 1.00 0.00 H new ATOM 0 HA SER A 107 11.005 2.928 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.920 0.375 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.192 0.637 0.584 1.00 0.00 H new ATOM 0 HG SER A 107 10.095 -0.161 -1.397 1.00 0.00 H new ATOM 1620 N PRO A 108 8.781 4.032 -0.455 1.00 0.00 N ATOM 1621 CA PRO A 108 7.524 4.778 -0.597 1.00 0.00 C ATOM 1622 C PRO A 108 6.349 3.863 -0.924 1.00 0.00 C ATOM 1623 O PRO A 108 5.223 4.322 -1.114 1.00 0.00 O ATOM 1624 CB PRO A 108 7.791 5.737 -1.767 1.00 0.00 C ATOM 1625 CG PRO A 108 9.268 5.714 -1.976 1.00 0.00 C ATOM 1626 CD PRO A 108 9.725 4.354 -1.536 1.00 0.00 C ATOM 0 HA PRO A 108 7.252 5.287 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.263 5.416 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.444 6.744 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.517 5.890 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.757 6.497 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.675 3.628 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.756 4.367 -1.183 1.00 0.00 H new ATOM 1634 N GLU A 109 6.625 2.567 -1.001 1.00 0.00 N ATOM 1635 CA GLU A 109 5.600 1.577 -1.301 1.00 0.00 C ATOM 1636 C GLU A 109 5.568 0.501 -0.228 1.00 0.00 C ATOM 1637 O GLU A 109 4.651 -0.316 -0.187 1.00 0.00 O ATOM 1638 CB GLU A 109 5.864 0.942 -2.663 1.00 0.00 C ATOM 1639 CG GLU A 109 5.911 1.945 -3.805 1.00 0.00 C ATOM 1640 CD GLU A 109 6.860 1.527 -4.910 1.00 0.00 C ATOM 1641 OE1 GLU A 109 8.047 1.278 -4.611 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.417 1.448 -6.075 1.00 0.00 O ATOM 0 H GLU A 109 7.556 2.176 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 109 4.633 2.079 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.810 0.403 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.086 0.207 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.910 2.067 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.216 2.917 -3.417 1.00 0.00 H new ATOM 1649 N SER A 110 6.579 0.497 0.635 1.00 0.00 N ATOM 1650 CA SER A 110 6.630 -0.463 1.726 1.00 0.00 C ATOM 1651 C SER A 110 5.695 -0.025 2.834 1.00 0.00 C ATOM 1652 O SER A 110 4.881 -0.804 3.314 1.00 0.00 O ATOM 1653 CB SER A 110 8.049 -0.617 2.261 1.00 0.00 C ATOM 1654 OG SER A 110 8.693 -1.731 1.671 1.00 0.00 O ATOM 0 H SER A 110 7.367 1.143 0.599 1.00 0.00 H new ATOM 0 HA SER A 110 6.311 -1.434 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.620 0.289 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.023 -0.739 3.344 1.00 0.00 H new ATOM 0 HG SER A 110 9.502 -1.432 1.206 1.00 0.00 H new ATOM 1660 N LEU A 111 5.757 1.254 3.166 1.00 0.00 N ATOM 1661 CA LEU A 111 4.855 1.826 4.142 1.00 0.00 C ATOM 1662 C LEU A 111 3.431 1.372 3.835 1.00 0.00 C ATOM 1663 O LEU A 111 2.684 0.972 4.727 1.00 0.00 O ATOM 1664 CB LEU A 111 4.966 3.354 4.070 1.00 0.00 C ATOM 1665 CG LEU A 111 4.433 4.149 5.269 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.084 3.623 5.736 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.442 4.138 6.403 1.00 0.00 C ATOM 0 H LEU A 111 6.426 1.915 2.770 1.00 0.00 H new ATOM 0 HA LEU A 111 5.114 1.495 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.016 3.611 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.437 3.690 3.178 1.00 0.00 H new ATOM 0 HG LEU A 111 4.285 5.180 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.739 4.211 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.362 3.702 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.184 2.579 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.048 4.706 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.629 3.110 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.375 4.590 6.065 1.00 0.00 H new ATOM 1679 N ARG A 112 3.095 1.359 2.550 1.00 0.00 N ATOM 1680 CA ARG A 112 1.772 0.943 2.112 1.00 0.00 C ATOM 1681 C ARG A 112 1.647 -0.581 2.092 1.00 0.00 C ATOM 1682 O ARG A 112 0.822 -1.147 2.805 1.00 0.00 O ATOM 1683 CB ARG A 112 1.470 1.529 0.728 1.00 0.00 C ATOM 1684 CG ARG A 112 0.705 0.590 -0.189 1.00 0.00 C ATOM 1685 CD ARG A 112 0.143 1.325 -1.395 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.927 0.573 -2.045 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.936 1.141 -2.700 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.011 2.462 -2.793 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.870 0.388 -3.263 1.00 0.00 N ATOM 0 H ARG A 112 3.723 1.632 1.794 1.00 0.00 H new ATOM 0 HA ARG A 112 1.040 1.324 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.896 2.447 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.410 1.803 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.365 -0.210 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.109 0.122 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.236 2.298 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.943 1.510 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.899 -0.445 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.294 3.045 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.786 2.895 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.816 -0.628 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.643 0.825 -3.765 1.00 0.00 H new ATOM 1703 N SER A 113 2.456 -1.233 1.262 1.00 0.00 N ATOM 1704 CA SER A 113 2.417 -2.687 1.130 1.00 0.00 C ATOM 1705 C SER A 113 2.466 -3.366 2.493 1.00 0.00 C ATOM 1706 O SER A 113 1.599 -4.172 2.827 1.00 0.00 O ATOM 1707 CB SER A 113 3.583 -3.173 0.265 1.00 0.00 C ATOM 1708 OG SER A 113 3.699 -4.584 0.309 1.00 0.00 O ATOM 0 H SER A 113 3.149 -0.776 0.669 1.00 0.00 H new ATOM 0 HA SER A 113 1.476 -2.954 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.435 -2.849 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.511 -2.718 0.612 1.00 0.00 H new ATOM 0 HG SER A 113 4.450 -4.868 -0.253 1.00 0.00 H new ATOM 1714 N LYS A 114 3.481 -3.025 3.277 1.00 0.00 N ATOM 1715 CA LYS A 114 3.650 -3.596 4.607 1.00 0.00 C ATOM 1716 C LYS A 114 2.440 -3.313 5.490 1.00 0.00 C ATOM 1717 O LYS A 114 2.125 -4.098 6.381 1.00 0.00 O ATOM 1718 CB LYS A 114 4.916 -3.046 5.268 1.00 0.00 C ATOM 1719 CG LYS A 114 6.179 -3.282 4.455 1.00 0.00 C ATOM 1720 CD LYS A 114 6.553 -4.757 4.416 1.00 0.00 C ATOM 1721 CE LYS A 114 6.661 -5.266 2.989 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.820 -6.747 2.938 1.00 0.00 N ATOM 0 H LYS A 114 4.202 -2.353 3.013 1.00 0.00 H new ATOM 0 HA LYS A 114 3.745 -4.676 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.794 -1.975 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.034 -3.507 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.032 -2.916 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.001 -2.709 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.503 -4.906 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.804 -5.338 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.770 -4.977 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.511 -4.792 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.890 -7.055 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.684 -7.021 3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.997 -7.200 3.384 1.00 0.00 H new ATOM 1736 N VAL A 115 1.762 -2.189 5.248 1.00 0.00 N ATOM 1737 CA VAL A 115 0.578 -1.843 6.030 1.00 0.00 C ATOM 1738 C VAL A 115 -0.600 -2.724 5.621 1.00 0.00 C ATOM 1739 O VAL A 115 -1.178 -3.422 6.453 1.00 0.00 O ATOM 1740 CB VAL A 115 0.213 -0.343 5.896 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.297 -0.120 5.902 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.862 0.449 7.019 1.00 0.00 C ATOM 0 H VAL A 115 2.010 -1.512 4.526 1.00 0.00 H new ATOM 0 HA VAL A 115 0.810 -2.025 7.079 1.00 0.00 H new ATOM 0 HB VAL A 115 0.591 0.005 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.508 0.945 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.747 -0.656 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.716 -0.490 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.601 1.503 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.506 0.077 7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.945 0.336 6.965 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.921 -2.720 4.329 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.007 -3.541 3.804 1.00 0.00 C ATOM 1754 C ASP A 116 -1.793 -5.008 4.164 1.00 0.00 C ATOM 1755 O ASP A 116 -2.748 -5.756 4.376 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.099 -3.381 2.285 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.569 -4.644 1.588 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.796 -4.869 1.528 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.708 -5.408 1.100 1.00 0.00 O ATOM 0 H ASP A 116 -0.443 -2.156 3.626 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.942 -3.207 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.784 -2.566 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.122 -3.098 1.894 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.527 -5.412 4.219 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.177 -6.776 4.577 1.00 0.00 C ATOM 1766 C GLU A 117 -0.305 -6.956 6.081 1.00 0.00 C ATOM 1767 O GLU A 117 -0.785 -7.985 6.558 1.00 0.00 O ATOM 1768 CB GLU A 117 1.248 -7.090 4.107 1.00 0.00 C ATOM 1769 CG GLU A 117 2.132 -7.730 5.165 1.00 0.00 C ATOM 1770 CD GLU A 117 3.244 -8.571 4.569 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.323 -8.659 3.324 1.00 0.00 O ATOM 1772 OE2 GLU A 117 4.035 -9.145 5.345 1.00 0.00 O ATOM 0 H GLU A 117 0.272 -4.810 4.019 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.858 -7.470 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.195 -7.755 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.718 -6.166 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.567 -6.950 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.519 -8.354 5.816 1.00 0.00 H new ATOM 1779 N ALA A 118 0.105 -5.931 6.819 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.006 -5.952 8.269 1.00 0.00 C ATOM 1781 C ALA A 118 -1.465 -6.072 8.672 1.00 0.00 C ATOM 1782 O ALA A 118 -1.778 -6.558 9.756 1.00 0.00 O ATOM 1783 CB ALA A 118 0.619 -4.713 8.885 1.00 0.00 C ATOM 0 H ALA A 118 0.516 -5.079 6.437 1.00 0.00 H new ATOM 0 HA ALA A 118 0.539 -6.818 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.521 -4.757 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.675 -4.667 8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.111 -3.824 8.510 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.356 -5.641 7.782 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.782 -5.762 8.028 1.00 0.00 C ATOM 1791 C VAL A 119 -4.181 -7.220 8.039 1.00 0.00 C ATOM 1792 O VAL A 119 -4.831 -7.690 8.967 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.619 -5.038 6.976 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.067 -4.989 7.430 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.070 -3.647 6.721 1.00 0.00 C ATOM 0 H VAL A 119 -2.113 -5.208 6.891 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.975 -5.299 8.996 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.569 -5.584 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.666 -4.472 6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.443 -6.004 7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.133 -4.455 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.680 -3.147 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.092 -3.072 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.043 -3.721 6.364 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.779 -7.933 6.996 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.048 -9.356 6.905 1.00 0.00 C ATOM 1807 C ALA A 120 -3.464 -10.066 8.118 1.00 0.00 C ATOM 1808 O ALA A 120 -3.929 -11.131 8.523 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.455 -9.914 5.622 1.00 0.00 C ATOM 0 H ALA A 120 -3.266 -7.547 6.203 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.125 -9.521 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.661 -10.983 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.901 -9.409 4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.377 -9.751 5.619 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.447 -9.440 8.699 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.775 -9.965 9.873 1.00 0.00 C ATOM 1817 C VAL A 121 -2.506 -9.542 11.146 1.00 0.00 C ATOM 1818 O VAL A 121 -2.527 -10.273 12.137 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.315 -9.472 9.917 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.264 -9.571 11.318 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.534 -10.248 8.922 1.00 0.00 C ATOM 0 H VAL A 121 -2.068 -8.554 8.366 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.781 -11.053 9.813 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.306 -8.419 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.294 -9.215 11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.327 -8.960 12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.241 -10.609 11.649 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.562 -9.889 8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.509 -11.309 9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.140 -10.103 7.916 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.106 -8.358 11.106 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.851 -7.838 12.245 1.00 0.00 C ATOM 1833 C LEU A 122 -5.193 -8.551 12.362 1.00 0.00 C ATOM 1834 O LEU A 122 -5.669 -8.829 13.462 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.044 -6.319 12.103 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.495 -5.827 12.068 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.832 -5.085 13.351 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.727 -4.936 10.859 1.00 0.00 C ATOM 0 H LEU A 122 -3.091 -7.739 10.295 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.285 -8.025 13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.535 -5.829 12.933 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.549 -5.994 11.188 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.153 -6.692 11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.866 -4.741 13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.704 -5.754 14.202 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.168 -4.227 13.460 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.763 -4.596 10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.062 -4.073 10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.522 -5.498 9.948 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.786 -8.857 11.213 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.050 -9.575 11.171 1.00 0.00 C ATOM 1852 C GLN A 123 -6.873 -10.967 11.757 1.00 0.00 C ATOM 1853 O GLN A 123 -7.728 -11.458 12.496 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.559 -9.666 9.729 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.179 -8.376 9.217 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.622 -8.553 8.786 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.522 -8.665 9.618 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.850 -8.580 7.477 1.00 0.00 N ATOM 0 H GLN A 123 -5.408 -8.617 10.297 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.786 -9.033 11.765 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.730 -9.944 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.298 -10.465 9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.128 -7.618 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.595 -8.006 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.074 -8.483 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.801 -8.697 7.127 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.737 -11.583 11.446 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.408 -12.896 11.978 1.00 0.00 C ATOM 1869 C ALA A 124 -5.242 -12.830 13.486 1.00 0.00 C ATOM 1870 O ALA A 124 -6.160 -13.178 14.224 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.141 -13.429 11.325 1.00 0.00 C ATOM 0 H ALA A 124 -5.028 -11.191 10.826 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.227 -13.578 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.907 -14.412 11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.293 -13.510 10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.314 -12.747 11.525 1.00 0.00 H new