USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= -0.475 X(o=-1.2,f=-1.6) USER MOD Set 1.2: A 110 SER OG : rot 110:sc= -0.753 USER MOD Set 2.1: A 88 LYS NZ :NH3+ 171:sc= -0.842 (180deg=-1.03) USER MOD Set 2.2: A 92 MET CE :methyl -111:sc= -6.41! (180deg=-8.65!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.677 USER MOD Set 3.2: A 57 MET CE :methyl 180:sc= -4.98! (180deg=-4.69!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -28:sc= 0.301 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.131 F(o=-0.79,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -149:sc= -0.0469 (180deg=-1.35) USER MOD Single : A 79 GLN : amide:sc= -0.49 K(o=-0.49,f=-1) USER MOD Single : A 81 MET CE :methyl -136:sc= -2.86 (180deg=-8.69!) USER MOD Single : A 82 HIS : no HE2:sc= -14.9! C(o=-15!,f=-15!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 90 THR OG1 : rot -90:sc= -2.91! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 167:sc= -8.1! (180deg=-8.85!) 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 0.578 8.881 3.877 1.00 0.00 N ATOM 766 CA LEU A 53 1.923 8.852 4.442 1.00 0.00 C ATOM 767 C LEU A 53 2.714 7.673 3.891 1.00 0.00 C ATOM 768 O LEU A 53 2.139 6.659 3.493 1.00 0.00 O ATOM 769 CB LEU A 53 1.857 8.758 5.967 1.00 0.00 C ATOM 770 CG LEU A 53 2.846 9.654 6.720 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.113 10.786 7.421 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.647 8.840 7.723 1.00 0.00 C ATOM 0 HA LEU A 53 2.428 9.776 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.846 9.011 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.034 7.723 6.259 1.00 0.00 H new ATOM 0 HG LEU A 53 3.537 10.086 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.831 11.412 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.582 11.388 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.399 10.371 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.344 9.493 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.969 8.380 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.203 8.062 7.199 1.00 0.00 H new ATOM 784 N THR A 54 4.034 7.813 3.870 1.00 0.00 N ATOM 785 CA THR A 54 4.910 6.756 3.387 1.00 0.00 C ATOM 786 C THR A 54 6.355 7.064 3.745 1.00 0.00 C ATOM 787 O THR A 54 6.636 8.058 4.417 1.00 0.00 O ATOM 788 CB THR A 54 4.768 6.579 1.873 1.00 0.00 C ATOM 789 OG1 THR A 54 3.882 7.541 1.331 1.00 0.00 O ATOM 790 CG2 THR A 54 4.254 5.211 1.480 1.00 0.00 C ATOM 0 H THR A 54 4.522 8.652 4.184 1.00 0.00 H new ATOM 0 HA THR A 54 4.617 5.824 3.870 1.00 0.00 H new ATOM 0 HB THR A 54 5.774 6.705 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.808 7.409 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.176 5.150 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.944 4.447 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.272 5.050 1.924 1.00 0.00 H new ATOM 798 N ALA A 55 7.268 6.212 3.297 1.00 0.00 N ATOM 799 CA ALA A 55 8.685 6.394 3.584 1.00 0.00 C ATOM 800 C ALA A 55 9.151 7.799 3.206 1.00 0.00 C ATOM 801 O ALA A 55 10.125 8.311 3.757 1.00 0.00 O ATOM 802 CB ALA A 55 9.513 5.350 2.857 1.00 0.00 C ATOM 0 H ALA A 55 7.053 5.389 2.734 1.00 0.00 H new ATOM 0 HA ALA A 55 8.827 6.270 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.569 5.501 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.211 4.355 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.355 5.444 1.783 1.00 0.00 H new ATOM 808 N SER A 56 8.444 8.419 2.262 1.00 0.00 N ATOM 809 CA SER A 56 8.778 9.768 1.816 1.00 0.00 C ATOM 810 C SER A 56 8.371 10.800 2.864 1.00 0.00 C ATOM 811 O SER A 56 9.162 11.666 3.236 1.00 0.00 O ATOM 812 CB SER A 56 8.088 10.074 0.486 1.00 0.00 C ATOM 813 OG SER A 56 8.439 9.122 -0.503 1.00 0.00 O ATOM 0 H SER A 56 7.637 8.008 1.793 1.00 0.00 H new ATOM 0 HA SER A 56 9.858 9.823 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.007 10.076 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.367 11.072 0.149 1.00 0.00 H new ATOM 0 HG SER A 56 7.983 9.340 -1.343 1.00 0.00 H new ATOM 819 N MET A 57 7.131 10.696 3.337 1.00 0.00 N ATOM 820 CA MET A 57 6.624 11.604 4.363 1.00 0.00 C ATOM 821 C MET A 57 7.500 11.529 5.602 1.00 0.00 C ATOM 822 O MET A 57 7.779 12.536 6.251 1.00 0.00 O ATOM 823 CB MET A 57 5.188 11.233 4.733 1.00 0.00 C ATOM 824 CG MET A 57 4.135 11.709 3.741 1.00 0.00 C ATOM 825 SD MET A 57 4.796 12.018 2.091 1.00 0.00 S ATOM 826 CE MET A 57 4.741 10.368 1.397 1.00 0.00 C ATOM 0 H MET A 57 6.460 9.993 3.027 1.00 0.00 H new ATOM 0 HA MET A 57 6.642 12.620 3.968 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.119 10.149 4.824 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.960 11.651 5.714 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.345 10.961 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.677 12.623 4.119 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.119 10.390 0.375 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.358 9.700 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.712 10.008 1.396 1.00 0.00 H new ATOM 836 N LEU A 58 7.922 10.315 5.921 1.00 0.00 N ATOM 837 CA LEU A 58 8.784 10.071 7.066 1.00 0.00 C ATOM 838 C LEU A 58 10.128 10.754 6.873 1.00 0.00 C ATOM 839 O LEU A 58 10.644 11.407 7.780 1.00 0.00 O ATOM 840 CB LEU A 58 8.982 8.571 7.239 1.00 0.00 C ATOM 841 CG LEU A 58 7.691 7.768 7.345 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.912 6.343 6.858 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.174 7.787 8.775 1.00 0.00 C ATOM 0 H LEU A 58 7.678 9.475 5.396 1.00 0.00 H new ATOM 0 HA LEU A 58 8.314 10.481 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.560 8.195 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.577 8.397 8.136 1.00 0.00 H new ATOM 0 HG LEU A 58 6.936 8.227 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.981 5.782 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.235 6.360 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.679 5.865 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.251 7.210 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.921 7.349 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.979 8.816 9.078 1.00 0.00 H new ATOM 855 N ALA A 59 10.679 10.607 5.674 1.00 0.00 N ATOM 856 CA ALA A 59 11.957 11.222 5.336 1.00 0.00 C ATOM 857 C ALA A 59 11.843 12.742 5.331 1.00 0.00 C ATOM 858 O ALA A 59 12.843 13.450 5.209 1.00 0.00 O ATOM 859 CB ALA A 59 12.443 10.720 3.986 1.00 0.00 C ATOM 0 H ALA A 59 10.260 10.066 4.918 1.00 0.00 H new ATOM 0 HA ALA A 59 12.685 10.939 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.398 11.187 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.568 9.638 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.712 10.974 3.219 1.00 0.00 H new ATOM 865 N SER A 60 10.615 13.238 5.463 1.00 0.00 N ATOM 866 CA SER A 60 10.366 14.673 5.489 1.00 0.00 C ATOM 867 C SER A 60 10.571 15.228 6.894 1.00 0.00 C ATOM 868 O SER A 60 10.556 16.441 7.103 1.00 0.00 O ATOM 869 CB SER A 60 8.944 14.977 5.011 1.00 0.00 C ATOM 870 OG SER A 60 8.732 16.373 4.892 1.00 0.00 O ATOM 0 H SER A 60 9.777 12.664 5.554 1.00 0.00 H new ATOM 0 HA SER A 60 11.076 15.154 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.770 14.497 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.224 14.555 5.712 1.00 0.00 H new ATOM 0 HG SER A 60 9.316 16.847 5.520 1.00 0.00 H new ATOM 876 N ALA A 61 10.780 14.329 7.853 1.00 0.00 N ATOM 877 CA ALA A 61 10.995 14.723 9.242 1.00 0.00 C ATOM 878 C ALA A 61 12.192 13.988 9.850 1.00 0.00 C ATOM 879 O ALA A 61 12.068 13.353 10.897 1.00 0.00 O ATOM 880 CB ALA A 61 9.740 14.454 10.059 1.00 0.00 C ATOM 0 H ALA A 61 10.805 13.322 7.693 1.00 0.00 H new ATOM 0 HA ALA A 61 11.214 15.791 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.909 14.751 11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.909 15.027 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.502 13.391 10.021 1.00 0.00 H new ATOM 946 N GLN A 66 10.850 10.945 12.139 1.00 0.00 N ATOM 947 CA GLN A 66 11.166 9.856 11.222 1.00 0.00 C ATOM 948 C GLN A 66 10.676 8.531 11.793 1.00 0.00 C ATOM 949 O GLN A 66 10.064 7.725 11.092 1.00 0.00 O ATOM 950 CB GLN A 66 12.673 9.793 10.967 1.00 0.00 C ATOM 951 CG GLN A 66 13.051 9.993 9.508 1.00 0.00 C ATOM 952 CD GLN A 66 14.327 9.266 9.130 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.445 8.014 9.559 1.00 0.00 O flip ATOM 954 NE2 GLN A 66 15.197 9.822 8.459 1.00 0.00 N flip ATOM 0 HA GLN A 66 10.660 10.042 10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.167 10.555 11.570 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.050 8.827 11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.236 9.642 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.172 11.058 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.065 10.785 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.049 9.319 8.212 1.00 0.00 H new ATOM 963 N LYS A 67 10.922 8.331 13.085 1.00 0.00 N ATOM 964 CA LYS A 67 10.484 7.127 13.773 1.00 0.00 C ATOM 965 C LYS A 67 9.327 7.442 14.715 1.00 0.00 C ATOM 966 O LYS A 67 9.223 6.874 15.802 1.00 0.00 O ATOM 967 CB LYS A 67 11.643 6.510 14.557 1.00 0.00 C ATOM 968 CG LYS A 67 12.434 7.520 15.370 1.00 0.00 C ATOM 969 CD LYS A 67 12.279 7.280 16.863 1.00 0.00 C ATOM 970 CE LYS A 67 12.689 8.501 17.670 1.00 0.00 C ATOM 971 NZ LYS A 67 12.211 8.425 19.078 1.00 0.00 N ATOM 0 H LYS A 67 11.425 8.993 13.676 1.00 0.00 H new ATOM 0 HA LYS A 67 10.143 6.410 13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.251 5.745 15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.316 6.010 13.861 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.488 7.461 15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.098 8.528 15.126 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.243 7.027 17.086 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.887 6.425 17.160 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.775 8.594 17.660 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.288 9.398 17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.512 9.277 19.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.173 8.362 19.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.614 7.583 19.536 1.00 0.00 H new ATOM 985 N GLN A 68 8.455 8.352 14.286 1.00 0.00 N ATOM 986 CA GLN A 68 7.306 8.747 15.089 1.00 0.00 C ATOM 987 C GLN A 68 6.011 8.633 14.289 1.00 0.00 C ATOM 988 O GLN A 68 5.058 7.991 14.729 1.00 0.00 O ATOM 989 CB GLN A 68 7.483 10.180 15.593 1.00 0.00 C ATOM 990 CG GLN A 68 6.416 10.614 16.586 1.00 0.00 C ATOM 991 CD GLN A 68 6.850 10.425 18.026 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.703 9.344 18.595 1.00 0.00 O ATOM 993 NE2 GLN A 68 7.391 11.481 18.625 1.00 0.00 N ATOM 0 H GLN A 68 8.525 8.828 13.387 1.00 0.00 H new ATOM 0 HA GLN A 68 7.242 8.071 15.942 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.463 10.273 16.062 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.472 10.860 14.741 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.174 11.663 16.418 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.505 10.044 16.407 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.494 12.359 18.116 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.703 11.414 19.594 1.00 0.00 H new ATOM 1002 N MET A 69 5.981 9.251 13.111 1.00 0.00 N ATOM 1003 CA MET A 69 4.790 9.221 12.266 1.00 0.00 C ATOM 1004 C MET A 69 4.632 7.876 11.563 1.00 0.00 C ATOM 1005 O MET A 69 3.636 7.645 10.877 1.00 0.00 O ATOM 1006 CB MET A 69 4.835 10.332 11.216 1.00 0.00 C ATOM 1007 CG MET A 69 5.484 11.622 11.694 1.00 0.00 C ATOM 1008 SD MET A 69 5.368 12.946 10.475 1.00 0.00 S ATOM 1009 CE MET A 69 6.802 12.597 9.462 1.00 0.00 C ATOM 0 H MET A 69 6.764 9.776 12.721 1.00 0.00 H new ATOM 0 HA MET A 69 3.934 9.376 12.923 1.00 0.00 H new ATOM 0 HB2 MET A 69 5.377 9.969 10.343 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.818 10.550 10.891 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.008 11.943 12.621 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.533 11.434 11.923 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.196 13.529 9.056 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.567 12.114 10.069 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.517 11.936 8.644 1.00 0.00 H new ATOM 1019 N LEU A 70 5.624 7.003 11.706 1.00 0.00 N ATOM 1020 CA LEU A 70 5.572 5.694 11.062 1.00 0.00 C ATOM 1021 C LEU A 70 4.411 4.866 11.593 1.00 0.00 C ATOM 1022 O LEU A 70 3.836 4.053 10.868 1.00 0.00 O ATOM 1023 CB LEU A 70 6.880 4.914 11.248 1.00 0.00 C ATOM 1024 CG LEU A 70 7.788 5.341 12.410 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.000 5.547 13.694 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.864 4.291 12.629 1.00 0.00 C ATOM 0 H LEU A 70 6.466 7.175 12.256 1.00 0.00 H new ATOM 0 HA LEU A 70 5.426 5.876 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.630 3.862 11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.454 4.990 10.324 1.00 0.00 H new ATOM 0 HG LEU A 70 8.247 6.294 12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.678 5.848 14.493 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.251 6.324 13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.505 4.616 13.970 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.507 4.596 13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.397 3.335 12.867 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.461 4.187 11.723 1.00 0.00 H new ATOM 1038 N GLY A 71 4.082 5.060 12.863 1.00 0.00 N ATOM 1039 CA GLY A 71 2.998 4.309 13.457 1.00 0.00 C ATOM 1040 C GLY A 71 2.267 5.085 14.538 1.00 0.00 C ATOM 1041 O GLY A 71 1.698 4.494 15.455 1.00 0.00 O ATOM 0 H GLY A 71 4.544 5.720 13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.290 4.025 12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.392 3.386 13.882 1.00 0.00 H new ATOM 1045 N GLU A 72 2.280 6.414 14.430 1.00 0.00 N ATOM 1046 CA GLU A 72 1.608 7.266 15.408 1.00 0.00 C ATOM 1047 C GLU A 72 0.955 8.470 14.734 1.00 0.00 C ATOM 1048 O GLU A 72 0.352 9.315 15.396 1.00 0.00 O ATOM 1049 CB GLU A 72 2.600 7.744 16.472 1.00 0.00 C ATOM 1050 CG GLU A 72 3.305 6.613 17.203 1.00 0.00 C ATOM 1051 CD GLU A 72 3.406 6.858 18.695 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.368 7.166 19.318 1.00 0.00 O ATOM 1053 OE2 GLU A 72 4.522 6.742 19.242 1.00 0.00 O ATOM 0 H GLU A 72 2.747 6.921 13.678 1.00 0.00 H new ATOM 0 HA GLU A 72 0.828 6.672 15.885 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.348 8.381 15.999 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.071 8.360 17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.768 5.681 17.027 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.306 6.487 16.791 1.00 0.00 H new ATOM 1060 N ARG A 73 1.088 8.547 13.413 1.00 0.00 N ATOM 1061 CA ARG A 73 0.501 9.632 12.640 1.00 0.00 C ATOM 1062 C ARG A 73 -0.155 9.074 11.386 1.00 0.00 C ATOM 1063 O ARG A 73 -1.027 9.707 10.790 1.00 0.00 O ATOM 1064 CB ARG A 73 1.570 10.656 12.263 1.00 0.00 C ATOM 1065 CG ARG A 73 1.033 12.070 12.111 1.00 0.00 C ATOM 1066 CD ARG A 73 0.588 12.349 10.685 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.505 13.317 10.633 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.903 13.923 9.518 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.300 13.662 8.366 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.905 14.790 9.557 1.00 0.00 N ATOM 0 H ARG A 73 1.601 7.865 12.854 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.255 10.129 13.248 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.349 10.652 13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.038 10.352 11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.193 12.216 12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.803 12.785 12.399 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.433 12.725 10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.271 11.418 10.215 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.991 13.541 11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.471 12.995 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.607 14.128 7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.370 14.992 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.211 15.255 8.702 1.00 0.00 H new ATOM 1084 N LEU A 74 0.270 7.877 11.001 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.286 7.196 9.844 1.00 0.00 C ATOM 1086 C LEU A 74 -1.673 6.672 10.157 1.00 0.00 C ATOM 1087 O LEU A 74 -2.464 6.404 9.260 1.00 0.00 O ATOM 1088 CB LEU A 74 0.605 6.024 9.453 1.00 0.00 C ATOM 1089 CG LEU A 74 1.492 6.269 8.247 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.826 5.567 8.431 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.795 5.807 6.977 1.00 0.00 C ATOM 0 H LEU A 74 1.005 7.356 11.480 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.344 7.909 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.236 5.767 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.026 5.158 9.252 1.00 0.00 H new ATOM 0 HG LEU A 74 1.682 7.338 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.456 5.749 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.320 5.952 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.661 4.495 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.443 5.989 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.578 4.741 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.136 6.359 6.852 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.928 6.490 11.443 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.192 5.951 11.925 1.00 0.00 C ATOM 1105 C PHE A 75 -4.397 6.497 11.142 1.00 0.00 C ATOM 1106 O PHE A 75 -5.168 5.719 10.573 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.325 6.253 13.421 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.890 5.122 14.237 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.764 3.806 13.818 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.512 5.379 15.449 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.265 2.771 14.585 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -5.017 4.348 16.216 1.00 0.00 C ATOM 1113 CZ PHE A 75 -4.896 3.043 15.783 1.00 0.00 C ATOM 0 H PHE A 75 -1.264 6.712 12.184 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.189 4.873 11.766 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.343 6.514 13.815 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.962 7.129 13.547 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.269 3.588 12.883 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.603 6.397 15.797 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.163 1.750 14.248 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.507 4.563 17.154 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.294 2.236 16.380 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.576 7.835 11.070 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.708 8.438 10.357 1.00 0.00 C ATOM 1125 C PRO A 76 -5.568 8.345 8.838 1.00 0.00 C ATOM 1126 O PRO A 76 -6.539 8.541 8.108 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.686 9.911 10.800 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.714 9.977 11.932 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.738 8.863 11.702 1.00 0.00 C ATOM 0 HA PRO A 76 -6.639 7.922 10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.379 10.562 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.676 10.240 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.207 10.942 11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.221 9.860 12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.916 9.170 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.297 8.511 12.634 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.358 8.053 8.368 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.102 7.968 6.935 1.00 0.00 C ATOM 1139 C LEU A 77 -4.297 6.548 6.407 1.00 0.00 C ATOM 1140 O LEU A 77 -4.695 6.362 5.258 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.690 8.462 6.620 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.499 9.978 6.736 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.090 10.369 6.326 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.525 10.717 5.889 1.00 0.00 C ATOM 0 H LEU A 77 -3.544 7.872 8.956 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.827 8.608 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.989 7.969 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.430 8.154 5.607 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.648 10.262 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.972 11.449 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.371 9.871 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.915 10.068 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.371 11.792 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.411 10.427 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.529 10.462 6.229 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.011 5.548 7.238 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.206 4.161 6.835 1.00 0.00 C ATOM 1158 C ILE A 78 -5.683 3.893 6.619 1.00 0.00 C ATOM 1159 O ILE A 78 -6.065 3.183 5.690 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.674 3.167 7.873 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.271 3.570 8.343 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.688 1.757 7.296 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.150 3.012 7.495 1.00 0.00 C ATOM 0 H ILE A 78 -3.648 5.671 8.183 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.645 4.017 5.912 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.325 3.183 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.200 4.658 8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.135 3.236 9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.309 1.056 8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.708 1.484 7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.057 1.721 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.192 3.344 7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.191 1.923 7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.258 3.367 6.470 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.512 4.505 7.464 1.00 0.00 N ATOM 1176 CA GLN A 79 -7.963 4.391 7.341 1.00 0.00 C ATOM 1177 C GLN A 79 -8.401 4.662 5.902 1.00 0.00 C ATOM 1178 O GLN A 79 -9.523 4.346 5.511 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.650 5.379 8.284 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.252 4.729 9.518 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.847 5.740 10.478 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.292 6.813 10.070 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.856 5.403 11.763 1.00 0.00 N ATOM 0 H GLN A 79 -6.202 5.086 8.243 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.253 3.376 7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.926 6.132 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.437 5.901 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.026 4.025 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.483 4.154 10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.477 4.503 12.057 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.242 6.044 12.456 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.501 5.261 5.127 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.752 5.553 3.720 1.00 0.00 C ATOM 1194 C ALA A 80 -7.440 4.336 2.853 1.00 0.00 C ATOM 1195 O ALA A 80 -8.199 3.997 1.944 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.915 6.741 3.273 1.00 0.00 C ATOM 0 H ALA A 80 -6.581 5.556 5.455 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.807 5.799 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.111 6.949 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.175 7.615 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.858 6.512 3.406 1.00 0.00 H new ATOM 1202 N MET A 81 -6.305 3.696 3.131 1.00 0.00 N ATOM 1203 CA MET A 81 -5.895 2.502 2.394 1.00 0.00 C ATOM 1204 C MET A 81 -6.836 1.350 2.698 1.00 0.00 C ATOM 1205 O MET A 81 -7.016 0.436 1.894 1.00 0.00 O ATOM 1206 CB MET A 81 -4.472 2.101 2.792 1.00 0.00 C ATOM 1207 CG MET A 81 -3.550 3.281 3.039 1.00 0.00 C ATOM 1208 SD MET A 81 -1.882 2.993 2.425 1.00 0.00 S ATOM 1209 CE MET A 81 -1.167 2.142 3.827 1.00 0.00 C ATOM 0 H MET A 81 -5.653 3.984 3.861 1.00 0.00 H new ATOM 0 HA MET A 81 -5.927 2.727 1.328 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.515 1.491 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.047 1.478 2.005 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.963 4.168 2.558 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.509 3.489 4.108 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.171 2.538 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.797 2.292 4.704 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.097 1.076 3.609 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.410 1.408 3.886 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.295 0.372 4.383 1.00 0.00 C ATOM 1221 C HIS A 82 -9.717 0.907 4.545 1.00 0.00 C ATOM 1222 O HIS A 82 -9.921 2.116 4.579 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.766 -0.090 5.740 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.538 -1.558 5.850 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.444 -2.371 4.745 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -7.400 -2.305 6.963 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -7.257 -3.590 5.222 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -7.223 -3.590 6.557 1.00 0.00 N ATOM 0 H HIS A 82 -7.274 2.181 4.537 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.323 -0.456 3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.828 0.426 5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.472 0.214 6.513 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -7.505 -2.093 3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.425 -1.950 7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.146 -4.473 4.610 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.724 0.020 4.682 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.106 0.441 4.906 1.00 0.00 C ATOM 1238 C PRO A 83 -12.328 0.875 6.354 1.00 0.00 C ATOM 1239 O PRO A 83 -13.277 0.439 7.007 1.00 0.00 O ATOM 1240 CB PRO A 83 -12.910 -0.817 4.589 1.00 0.00 C ATOM 1241 CG PRO A 83 -11.995 -1.942 4.934 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.595 -1.452 4.668 1.00 0.00 C ATOM 0 HA PRO A 83 -12.389 1.300 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.829 -0.859 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.200 -0.849 3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.113 -2.232 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.219 -2.823 4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.899 -1.799 5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.222 -1.811 3.709 1.00 0.00 H new ATOM 1250 N THR A 84 -11.417 1.713 6.852 1.00 0.00 N ATOM 1251 CA THR A 84 -11.466 2.197 8.229 1.00 0.00 C ATOM 1252 C THR A 84 -11.231 1.053 9.215 1.00 0.00 C ATOM 1253 O THR A 84 -12.003 0.859 10.155 1.00 0.00 O ATOM 1254 CB THR A 84 -12.806 2.882 8.519 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.274 3.571 7.372 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.736 3.876 9.657 1.00 0.00 C ATOM 0 H THR A 84 -10.629 2.073 6.314 1.00 0.00 H new ATOM 0 HA THR A 84 -10.670 2.931 8.355 1.00 0.00 H new ATOM 0 HB THR A 84 -13.487 2.079 8.803 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.131 4.001 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.718 4.324 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.425 3.365 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.015 4.656 9.415 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.155 0.301 8.992 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.805 -0.822 9.855 1.00 0.00 C ATOM 1266 C LEU A 85 -8.442 -0.603 10.498 1.00 0.00 C ATOM 1267 O LEU A 85 -7.950 -1.452 11.241 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.792 -2.120 9.052 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.690 -3.232 9.598 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.904 -4.308 8.545 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.089 -3.830 10.862 1.00 0.00 C ATOM 0 H LEU A 85 -9.509 0.451 8.217 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.556 -0.893 10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.096 -1.899 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.768 -2.491 9.007 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.659 -2.801 9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.545 -5.091 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.378 -3.869 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.943 -4.736 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.741 -4.619 11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.107 -4.247 10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.988 -3.053 11.620 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.838 0.538 10.187 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.531 0.905 10.729 1.00 0.00 C ATOM 1285 C ALA A 86 -6.636 1.306 12.196 1.00 0.00 C ATOM 1286 O ALA A 86 -6.297 2.429 12.566 1.00 0.00 O ATOM 1287 CB ALA A 86 -5.946 2.046 9.919 1.00 0.00 C ATOM 0 H ALA A 86 -8.236 1.233 9.556 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.875 0.037 10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.972 2.318 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.833 1.734 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.613 2.907 9.969 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.130 0.392 13.022 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.227 0.650 14.443 1.00 0.00 C ATOM 1295 C GLY A 87 -6.060 0.034 15.182 1.00 0.00 C ATOM 1296 O GLY A 87 -5.935 0.166 16.399 1.00 0.00 O ATOM 0 H GLY A 87 -7.466 -0.526 12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.249 1.725 14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.162 0.244 14.828 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.195 -0.623 14.418 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.020 -1.282 14.970 1.00 0.00 C ATOM 1302 C LYS A 88 -2.920 -1.461 13.921 1.00 0.00 C ATOM 1303 O LYS A 88 -1.777 -1.737 14.268 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.409 -2.651 15.537 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.242 -3.434 16.113 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.449 -4.931 15.961 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.408 -5.544 15.040 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.379 -7.030 15.143 1.00 0.00 N ATOM 0 H LYS A 88 -5.288 -0.713 13.406 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.629 -0.645 15.763 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.159 -2.511 16.315 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.875 -3.241 14.748 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.321 -3.140 15.610 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.122 -3.187 17.168 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.397 -5.408 16.940 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.446 -5.124 15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.620 -5.256 14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.425 -5.144 15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.769 -7.418 14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.005 -7.306 16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.343 -7.405 15.032 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.265 -1.317 12.639 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.310 -1.534 11.564 1.00 0.00 C ATOM 1324 C ILE A 89 -1.014 -0.757 11.765 1.00 0.00 C ATOM 1325 O ILE A 89 -0.024 -1.311 12.222 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.896 -1.160 10.194 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.238 -1.853 9.978 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.919 -1.530 9.088 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -4.987 -1.333 8.774 1.00 0.00 C ATOM 0 H ILE A 89 -4.199 -1.051 12.326 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.088 -2.601 11.588 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.061 -0.083 10.167 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.072 -2.924 9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.855 -1.722 10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.345 -1.261 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.982 -0.992 9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.729 -2.603 9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.933 -1.866 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.182 -0.268 8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.387 -1.489 7.877 1.00 0.00 H new ATOM 1341 N THR A 90 -1.004 0.504 11.348 1.00 0.00 N ATOM 1342 CA THR A 90 0.194 1.336 11.444 1.00 0.00 C ATOM 1343 C THR A 90 0.769 1.307 12.858 1.00 0.00 C ATOM 1344 O THR A 90 1.986 1.267 13.035 1.00 0.00 O ATOM 1345 CB THR A 90 -0.132 2.763 10.994 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.603 3.088 9.828 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.150 3.839 12.020 1.00 0.00 C ATOM 0 H THR A 90 -1.812 0.975 10.940 1.00 0.00 H new ATOM 0 HA THR A 90 0.961 0.934 10.782 1.00 0.00 H new ATOM 0 HB THR A 90 -1.208 2.753 10.820 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.461 3.487 10.083 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.113 4.813 11.608 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.443 3.652 12.916 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.209 3.828 12.277 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.107 1.301 13.859 1.00 0.00 N ATOM 1356 CA GLY A 91 0.358 1.192 15.229 1.00 0.00 C ATOM 1357 C GLY A 91 1.124 -0.098 15.424 1.00 0.00 C ATOM 1358 O GLY A 91 2.060 -0.173 16.221 1.00 0.00 O ATOM 0 H GLY A 91 -1.119 1.369 13.748 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.996 2.042 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.491 1.225 15.912 1.00 0.00 H new ATOM 1362 N MET A 92 0.737 -1.102 14.644 1.00 0.00 N ATOM 1363 CA MET A 92 1.404 -2.398 14.650 1.00 0.00 C ATOM 1364 C MET A 92 2.722 -2.306 13.914 1.00 0.00 C ATOM 1365 O MET A 92 3.709 -2.934 14.289 1.00 0.00 O ATOM 1366 CB MET A 92 0.539 -3.445 13.953 1.00 0.00 C ATOM 1367 CG MET A 92 0.789 -4.846 14.450 1.00 0.00 C ATOM 1368 SD MET A 92 0.911 -6.059 13.122 1.00 0.00 S ATOM 1369 CE MET A 92 -0.576 -5.697 12.198 1.00 0.00 C ATOM 0 H MET A 92 -0.045 -1.040 13.992 1.00 0.00 H new ATOM 0 HA MET A 92 1.571 -2.687 15.688 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.512 -3.196 14.101 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.728 -3.408 12.880 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.711 -4.859 15.031 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.017 -5.135 15.124 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.280 -6.522 12.304 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.029 -4.783 12.581 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.327 -5.565 11.145 1.00 0.00 H new ATOM 1379 N LEU A 93 2.706 -1.530 12.844 1.00 0.00 N ATOM 1380 CA LEU A 93 3.873 -1.338 11.997 1.00 0.00 C ATOM 1381 C LEU A 93 5.070 -0.843 12.800 1.00 0.00 C ATOM 1382 O LEU A 93 6.187 -0.770 12.290 1.00 0.00 O ATOM 1383 CB LEU A 93 3.538 -0.357 10.884 1.00 0.00 C ATOM 1384 CG LEU A 93 2.899 -0.983 9.640 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.877 -1.934 8.966 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.614 -1.710 10.004 1.00 0.00 C ATOM 0 H LEU A 93 1.882 -1.014 12.536 1.00 0.00 H new ATOM 0 HA LEU A 93 4.145 -2.300 11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.861 0.401 11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.452 0.156 10.585 1.00 0.00 H new ATOM 0 HG LEU A 93 2.652 -0.184 8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.410 -2.371 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.771 -1.386 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.152 -2.727 9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.176 -2.147 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.834 -2.500 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.909 -1.005 10.445 1.00 0.00 H new ATOM 1398 N LEU A 94 4.828 -0.507 14.059 1.00 0.00 N ATOM 1399 CA LEU A 94 5.887 -0.088 14.955 1.00 0.00 C ATOM 1400 C LEU A 94 6.174 -1.206 15.945 1.00 0.00 C ATOM 1401 O LEU A 94 6.582 -0.963 17.081 1.00 0.00 O ATOM 1402 CB LEU A 94 5.478 1.185 15.690 1.00 0.00 C ATOM 1403 CG LEU A 94 5.992 2.488 15.074 1.00 0.00 C ATOM 1404 CD1 LEU A 94 5.758 2.497 13.569 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.320 3.679 15.737 1.00 0.00 C ATOM 0 H LEU A 94 3.900 -0.518 14.482 1.00 0.00 H new ATOM 0 HA LEU A 94 6.790 0.124 14.382 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.390 1.227 15.733 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.835 1.122 16.718 1.00 0.00 H new ATOM 0 HG LEU A 94 7.066 2.559 15.246 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.130 3.431 13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.286 1.659 13.114 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.691 2.407 13.366 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.693 4.601 15.292 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.242 3.616 15.592 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.543 3.675 16.804 1.00 0.00 H new ATOM 1417 N GLU A 95 5.912 -2.435 15.506 1.00 0.00 N ATOM 1418 CA GLU A 95 6.097 -3.611 16.345 1.00 0.00 C ATOM 1419 C GLU A 95 5.916 -4.901 15.547 1.00 0.00 C ATOM 1420 O GLU A 95 6.005 -5.996 16.103 1.00 0.00 O ATOM 1421 CB GLU A 95 5.112 -3.584 17.518 1.00 0.00 C ATOM 1422 CG GLU A 95 3.682 -3.928 17.128 1.00 0.00 C ATOM 1423 CD GLU A 95 2.792 -4.176 18.330 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.216 -3.199 18.853 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.673 -5.345 18.750 1.00 0.00 O ATOM 0 H GLU A 95 5.569 -2.640 14.568 1.00 0.00 H new ATOM 0 HA GLU A 95 7.118 -3.589 16.727 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.450 -4.286 18.280 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.127 -2.592 17.970 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.266 -3.114 16.534 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.686 -4.815 16.494 1.00 0.00 H new ATOM 1432 N ILE A 96 5.690 -4.773 14.238 1.00 0.00 N ATOM 1433 CA ILE A 96 5.499 -5.947 13.380 1.00 0.00 C ATOM 1434 C ILE A 96 6.753 -6.822 13.340 1.00 0.00 C ATOM 1435 O ILE A 96 7.555 -6.834 14.274 1.00 0.00 O ATOM 1436 CB ILE A 96 5.154 -5.568 11.921 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.327 -4.844 11.249 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.889 -4.735 11.842 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.695 -3.533 11.892 1.00 0.00 C ATOM 0 H ILE A 96 5.635 -3.878 13.751 1.00 0.00 H new ATOM 0 HA ILE A 96 4.664 -6.491 13.822 1.00 0.00 H new ATOM 0 HB ILE A 96 4.970 -6.496 11.379 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.198 -5.499 11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.078 -4.665 10.203 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.680 -4.489 10.801 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.054 -5.301 12.256 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.022 -3.816 12.413 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.533 -3.087 11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.840 -2.857 11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.979 -3.704 12.930 1.00 0.00 H new ATOM 1451 N ASP A 97 6.922 -7.529 12.223 1.00 0.00 N ATOM 1452 CA ASP A 97 8.079 -8.384 12.003 1.00 0.00 C ATOM 1453 C ASP A 97 9.378 -7.583 12.062 1.00 0.00 C ATOM 1454 O ASP A 97 10.467 -8.143 11.938 1.00 0.00 O ATOM 1455 CB ASP A 97 7.948 -9.063 10.640 1.00 0.00 C ATOM 1456 CG ASP A 97 8.538 -10.461 10.626 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.528 -10.695 11.351 1.00 0.00 O ATOM 1458 OD2 ASP A 97 8.010 -11.320 9.890 1.00 0.00 O ATOM 0 H ASP A 97 6.259 -7.522 11.448 1.00 0.00 H new ATOM 0 HA ASP A 97 8.113 -9.135 12.792 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.895 -9.114 10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.447 -8.455 9.886 1.00 0.00 H new ATOM 1463 N ASN A 98 9.241 -6.265 12.224 1.00 0.00 N ATOM 1464 CA ASN A 98 10.379 -5.350 12.304 1.00 0.00 C ATOM 1465 C ASN A 98 10.964 -5.067 10.925 1.00 0.00 C ATOM 1466 O ASN A 98 11.538 -4.002 10.695 1.00 0.00 O ATOM 1467 CB ASN A 98 11.462 -5.887 13.243 1.00 0.00 C ATOM 1468 CG ASN A 98 10.994 -5.965 14.682 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.599 -7.028 15.162 1.00 0.00 O ATOM 1470 ND2 ASN A 98 11.034 -4.836 15.380 1.00 0.00 N ATOM 0 H ASN A 98 8.335 -5.802 12.303 1.00 0.00 H new ATOM 0 HA ASN A 98 10.007 -4.411 12.715 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.769 -6.878 12.910 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.341 -5.245 13.184 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.730 -4.827 16.354 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.369 -3.978 14.943 1.00 0.00 H new ATOM 1477 N SER A 99 10.805 -6.011 10.008 1.00 0.00 N ATOM 1478 CA SER A 99 11.283 -5.823 8.645 1.00 0.00 C ATOM 1479 C SER A 99 10.320 -4.926 7.881 1.00 0.00 C ATOM 1480 O SER A 99 10.698 -4.273 6.908 1.00 0.00 O ATOM 1481 CB SER A 99 11.433 -7.166 7.931 1.00 0.00 C ATOM 1482 OG SER A 99 11.879 -8.173 8.823 1.00 0.00 O ATOM 0 H SER A 99 10.352 -6.909 10.181 1.00 0.00 H new ATOM 0 HA SER A 99 12.263 -5.348 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.477 -7.459 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.140 -7.066 7.108 1.00 0.00 H new ATOM 0 HG SER A 99 11.965 -9.022 8.341 1.00 0.00 H new ATOM 1488 N GLU A 100 9.076 -4.886 8.348 1.00 0.00 N ATOM 1489 CA GLU A 100 8.059 -4.031 7.752 1.00 0.00 C ATOM 1490 C GLU A 100 8.169 -2.627 8.327 1.00 0.00 C ATOM 1491 O GLU A 100 7.809 -1.652 7.673 1.00 0.00 O ATOM 1492 CB GLU A 100 6.666 -4.608 7.990 1.00 0.00 C ATOM 1493 CG GLU A 100 6.646 -6.126 8.039 1.00 0.00 C ATOM 1494 CD GLU A 100 5.357 -6.713 7.497 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.288 -6.437 8.079 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.419 -7.450 6.490 1.00 0.00 O ATOM 0 H GLU A 100 8.749 -5.439 9.140 1.00 0.00 H new ATOM 0 HA GLU A 100 8.221 -3.983 6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.273 -4.216 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.999 -4.268 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.487 -6.515 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.785 -6.454 9.069 1.00 0.00 H new ATOM 1503 N LEU A 101 8.705 -2.534 9.542 1.00 0.00 N ATOM 1504 CA LEU A 101 8.947 -1.245 10.179 1.00 0.00 C ATOM 1505 C LEU A 101 10.162 -0.584 9.538 1.00 0.00 C ATOM 1506 O LEU A 101 10.310 0.636 9.554 1.00 0.00 O ATOM 1507 CB LEU A 101 9.179 -1.426 11.684 1.00 0.00 C ATOM 1508 CG LEU A 101 9.917 -0.278 12.379 1.00 0.00 C ATOM 1509 CD1 LEU A 101 8.933 0.637 13.090 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.945 -0.823 13.359 1.00 0.00 C ATOM 0 H LEU A 101 8.980 -3.339 10.105 1.00 0.00 H new ATOM 0 HA LEU A 101 8.072 -0.609 10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.212 -1.560 12.170 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.744 -2.345 11.839 1.00 0.00 H new ATOM 0 HG LEU A 101 10.439 0.305 11.621 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.476 1.446 13.578 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.235 1.054 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.382 0.067 13.838 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.460 0.006 13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.443 -1.429 14.113 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.669 -1.437 12.823 1.00 0.00 H new ATOM 1522 N LEU A 102 11.025 -1.421 8.971 1.00 0.00 N ATOM 1523 CA LEU A 102 12.244 -0.963 8.318 1.00 0.00 C ATOM 1524 C LEU A 102 11.986 -0.604 6.866 1.00 0.00 C ATOM 1525 O LEU A 102 12.397 0.457 6.396 1.00 0.00 O ATOM 1526 CB LEU A 102 13.311 -2.062 8.396 1.00 0.00 C ATOM 1527 CG LEU A 102 14.035 -2.219 9.745 1.00 0.00 C ATOM 1528 CD1 LEU A 102 15.529 -2.398 9.522 1.00 0.00 C ATOM 1529 CD2 LEU A 102 13.773 -1.037 10.671 1.00 0.00 C ATOM 0 H LEU A 102 10.899 -2.433 8.952 1.00 0.00 H new ATOM 0 HA LEU A 102 12.594 -0.069 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.840 -3.013 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.059 -1.867 7.628 1.00 0.00 H new ATOM 0 HG LEU A 102 13.637 -3.109 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.030 -2.508 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.703 -3.289 8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.927 -1.525 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.302 -1.188 11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.126 -0.120 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.703 -0.957 10.865 1.00 0.00 H new ATOM 1541 N HIS A 103 11.316 -1.497 6.154 1.00 0.00 N ATOM 1542 CA HIS A 103 11.030 -1.286 4.750 1.00 0.00 C ATOM 1543 C HIS A 103 10.057 -0.125 4.553 1.00 0.00 C ATOM 1544 O HIS A 103 10.187 0.643 3.602 1.00 0.00 O ATOM 1545 CB HIS A 103 10.461 -2.570 4.145 1.00 0.00 C ATOM 1546 CG HIS A 103 11.090 -2.952 2.842 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.604 -2.006 1.987 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.264 -4.182 2.297 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.073 -2.673 0.947 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.890 -3.994 1.092 1.00 0.00 N ATOM 0 H HIS A 103 10.961 -2.376 6.530 1.00 0.00 H new ATOM 0 HA HIS A 103 11.959 -1.028 4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.594 -3.386 4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.388 -2.447 3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.967 -5.126 2.729 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.543 -2.214 0.090 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.165 -4.721 0.431 1.00 0.00 H new ATOM 1558 N MET A 104 9.088 0.002 5.458 1.00 0.00 N ATOM 1559 CA MET A 104 8.097 1.069 5.375 1.00 0.00 C ATOM 1560 C MET A 104 8.765 2.441 5.367 1.00 0.00 C ATOM 1561 O MET A 104 8.297 3.362 4.699 1.00 0.00 O ATOM 1562 CB MET A 104 7.116 0.977 6.547 1.00 0.00 C ATOM 1563 CG MET A 104 7.768 1.235 7.893 1.00 0.00 C ATOM 1564 SD MET A 104 6.730 2.204 9.003 1.00 0.00 S ATOM 1565 CE MET A 104 5.137 1.449 8.713 1.00 0.00 C ATOM 0 H MET A 104 8.970 -0.622 6.256 1.00 0.00 H new ATOM 0 HA MET A 104 7.551 0.946 4.439 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.311 1.697 6.396 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.661 -0.013 6.555 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.004 0.281 8.365 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.712 1.757 7.739 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.436 1.772 9.482 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.765 1.749 7.734 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.237 0.364 8.746 1.00 0.00 H new ATOM 1575 N LEU A 105 9.845 2.580 6.133 1.00 0.00 N ATOM 1576 CA LEU A 105 10.589 3.833 6.183 1.00 0.00 C ATOM 1577 C LEU A 105 11.627 3.865 5.080 1.00 0.00 C ATOM 1578 O LEU A 105 12.271 4.887 4.839 1.00 0.00 O ATOM 1579 CB LEU A 105 11.296 3.995 7.532 1.00 0.00 C ATOM 1580 CG LEU A 105 10.516 3.497 8.745 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.422 3.416 9.965 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.334 4.407 9.015 1.00 0.00 C ATOM 0 H LEU A 105 10.223 1.841 6.726 1.00 0.00 H new ATOM 0 HA LEU A 105 9.879 4.650 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.247 3.464 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.526 5.050 7.678 1.00 0.00 H new ATOM 0 HG LEU A 105 10.141 2.496 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.849 3.059 10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.242 2.726 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.825 4.405 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.785 4.042 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.691 5.418 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.676 4.416 8.146 1.00 0.00 H new ATOM 1594 N GLU A 106 11.805 2.722 4.436 1.00 0.00 N ATOM 1595 CA GLU A 106 12.821 2.580 3.414 1.00 0.00 C ATOM 1596 C GLU A 106 12.224 2.485 2.015 1.00 0.00 C ATOM 1597 O GLU A 106 12.956 2.417 1.027 1.00 0.00 O ATOM 1598 CB GLU A 106 13.662 1.338 3.715 1.00 0.00 C ATOM 1599 CG GLU A 106 14.680 1.563 4.813 1.00 0.00 C ATOM 1600 CD GLU A 106 15.619 2.717 4.519 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.051 2.849 3.354 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.923 3.486 5.453 1.00 0.00 O ATOM 0 H GLU A 106 11.256 1.879 4.606 1.00 0.00 H new ATOM 0 HA GLU A 106 13.446 3.473 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.001 0.520 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.178 1.027 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.159 1.755 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.263 0.653 4.953 1.00 0.00 H new ATOM 1609 N SER A 107 10.898 2.502 1.925 1.00 0.00 N ATOM 1610 CA SER A 107 10.235 2.404 0.627 1.00 0.00 C ATOM 1611 C SER A 107 8.892 3.134 0.620 1.00 0.00 C ATOM 1612 O SER A 107 8.099 3.000 1.551 1.00 0.00 O ATOM 1613 CB SER A 107 10.028 0.938 0.256 1.00 0.00 C ATOM 1614 OG SER A 107 10.040 0.759 -1.150 1.00 0.00 O ATOM 0 H SER A 107 10.267 2.582 2.723 1.00 0.00 H new ATOM 0 HA SER A 107 10.880 2.882 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.812 0.331 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.079 0.588 0.662 1.00 0.00 H new ATOM 0 HG SER A 107 9.907 -0.189 -1.360 1.00 0.00 H new ATOM 1620 N PRO A 108 8.611 3.902 -0.454 1.00 0.00 N ATOM 1621 CA PRO A 108 7.349 4.636 -0.591 1.00 0.00 C ATOM 1622 C PRO A 108 6.183 3.712 -0.922 1.00 0.00 C ATOM 1623 O PRO A 108 5.060 4.161 -1.150 1.00 0.00 O ATOM 1624 CB PRO A 108 7.624 5.590 -1.754 1.00 0.00 C ATOM 1625 CG PRO A 108 8.639 4.884 -2.582 1.00 0.00 C ATOM 1626 CD PRO A 108 9.496 4.106 -1.618 1.00 0.00 C ATOM 0 HA PRO A 108 7.062 5.140 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.717 5.792 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.999 6.550 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.161 4.220 -3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.239 5.593 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.821 3.158 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.396 4.658 -1.346 1.00 0.00 H new ATOM 1634 N GLU A 109 6.465 2.415 -0.951 1.00 0.00 N ATOM 1635 CA GLU A 109 5.450 1.410 -1.240 1.00 0.00 C ATOM 1636 C GLU A 109 5.442 0.334 -0.167 1.00 0.00 C ATOM 1637 O GLU A 109 4.530 -0.484 -0.110 1.00 0.00 O ATOM 1638 CB GLU A 109 5.708 0.777 -2.607 1.00 0.00 C ATOM 1639 CG GLU A 109 5.676 1.773 -3.755 1.00 0.00 C ATOM 1640 CD GLU A 109 6.631 1.404 -4.872 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.248 0.586 -5.735 1.00 0.00 O ATOM 1642 OE2 GLU A 109 7.763 1.932 -4.884 1.00 0.00 O ATOM 0 H GLU A 109 7.395 2.033 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 109 4.476 1.900 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.680 0.284 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.961 0.004 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.663 1.831 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.928 2.764 -3.379 1.00 0.00 H new ATOM 1649 N SER A 110 6.462 0.339 0.685 1.00 0.00 N ATOM 1650 CA SER A 110 6.530 -0.612 1.782 1.00 0.00 C ATOM 1651 C SER A 110 5.624 -0.158 2.906 1.00 0.00 C ATOM 1652 O SER A 110 4.847 -0.935 3.444 1.00 0.00 O ATOM 1653 CB SER A 110 7.957 -0.765 2.289 1.00 0.00 C ATOM 1654 OG SER A 110 8.522 -1.986 1.848 1.00 0.00 O ATOM 0 H SER A 110 7.247 0.988 0.635 1.00 0.00 H new ATOM 0 HA SER A 110 6.198 -1.584 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.564 0.069 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.966 -0.728 3.378 1.00 0.00 H new ATOM 0 HG SER A 110 9.216 -1.803 1.181 1.00 0.00 H new ATOM 1660 N LEU A 111 5.690 1.126 3.215 1.00 0.00 N ATOM 1661 CA LEU A 111 4.815 1.707 4.211 1.00 0.00 C ATOM 1662 C LEU A 111 3.383 1.253 3.945 1.00 0.00 C ATOM 1663 O LEU A 111 2.659 0.852 4.858 1.00 0.00 O ATOM 1664 CB LEU A 111 4.935 3.234 4.131 1.00 0.00 C ATOM 1665 CG LEU A 111 4.427 4.039 5.334 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.053 3.572 5.782 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.419 3.968 6.477 1.00 0.00 C ATOM 0 H LEU A 111 6.342 1.784 2.788 1.00 0.00 H new ATOM 0 HA LEU A 111 5.095 1.382 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.985 3.483 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.394 3.570 3.246 1.00 0.00 H new ATOM 0 HG LEU A 111 4.331 5.078 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.727 4.166 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.343 3.693 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.101 2.521 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.042 4.545 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.554 2.929 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.376 4.379 6.155 1.00 0.00 H new ATOM 1679 N ARG A 112 3.020 1.227 2.669 1.00 0.00 N ATOM 1680 CA ARG A 112 1.690 0.803 2.262 1.00 0.00 C ATOM 1681 C ARG A 112 1.584 -0.722 2.214 1.00 0.00 C ATOM 1682 O ARG A 112 0.811 -1.315 2.959 1.00 0.00 O ATOM 1683 CB ARG A 112 1.339 1.404 0.900 1.00 0.00 C ATOM 1684 CG ARG A 112 0.472 0.504 0.039 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.294 1.296 -1.007 1.00 0.00 C ATOM 1686 NE ARG A 112 -1.272 0.471 -1.710 1.00 0.00 N ATOM 1687 CZ ARG A 112 -2.491 0.888 -2.040 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.883 2.117 -1.732 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -3.322 0.073 -2.678 1.00 0.00 N ATOM 0 H ARG A 112 3.631 1.496 1.898 1.00 0.00 H new ATOM 0 HA ARG A 112 0.978 1.164 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.823 2.352 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.261 1.627 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.097 -0.241 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.231 -0.038 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.803 2.132 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.407 1.719 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.005 -0.480 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.249 2.746 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.819 2.433 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.026 -0.874 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.257 0.393 -2.931 1.00 0.00 H new ATOM 1703 N SER A 113 2.346 -1.343 1.315 1.00 0.00 N ATOM 1704 CA SER A 113 2.317 -2.795 1.149 1.00 0.00 C ATOM 1705 C SER A 113 2.422 -3.502 2.494 1.00 0.00 C ATOM 1706 O SER A 113 1.609 -4.366 2.813 1.00 0.00 O ATOM 1707 CB SER A 113 3.452 -3.252 0.233 1.00 0.00 C ATOM 1708 OG SER A 113 2.953 -3.690 -1.019 1.00 0.00 O ATOM 0 H SER A 113 2.992 -0.862 0.689 1.00 0.00 H new ATOM 0 HA SER A 113 1.363 -3.059 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.154 -2.432 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.005 -4.061 0.710 1.00 0.00 H new ATOM 0 HG SER A 113 3.699 -3.975 -1.587 1.00 0.00 H new ATOM 1714 N LYS A 114 3.422 -3.122 3.280 1.00 0.00 N ATOM 1715 CA LYS A 114 3.629 -3.715 4.594 1.00 0.00 C ATOM 1716 C LYS A 114 2.427 -3.470 5.494 1.00 0.00 C ATOM 1717 O LYS A 114 2.133 -4.283 6.368 1.00 0.00 O ATOM 1718 CB LYS A 114 4.895 -3.161 5.248 1.00 0.00 C ATOM 1719 CG LYS A 114 6.151 -3.394 4.428 1.00 0.00 C ATOM 1720 CD LYS A 114 6.530 -4.867 4.392 1.00 0.00 C ATOM 1721 CE LYS A 114 7.993 -5.058 4.028 1.00 0.00 C ATOM 1722 NZ LYS A 114 8.216 -6.315 3.263 1.00 0.00 N ATOM 0 H LYS A 114 4.103 -2.405 3.029 1.00 0.00 H new ATOM 0 HA LYS A 114 3.749 -4.790 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.771 -2.091 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.020 -3.622 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.995 -3.033 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.974 -2.816 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.334 -5.318 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.903 -5.387 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.334 -4.208 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.594 -5.075 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.226 -6.408 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.915 -7.129 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.663 -6.288 2.383 1.00 0.00 H new ATOM 1736 N VAL A 115 1.727 -2.353 5.286 1.00 0.00 N ATOM 1737 CA VAL A 115 0.534 -2.066 6.078 1.00 0.00 C ATOM 1738 C VAL A 115 -0.604 -2.985 5.643 1.00 0.00 C ATOM 1739 O VAL A 115 -1.151 -3.729 6.457 1.00 0.00 O ATOM 1740 CB VAL A 115 0.102 -0.586 5.984 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.416 -0.444 5.989 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.700 0.199 7.137 1.00 0.00 C ATOM 0 H VAL A 115 1.961 -1.646 4.589 1.00 0.00 H new ATOM 0 HA VAL A 115 0.779 -2.254 7.123 1.00 0.00 H new ATOM 0 HB VAL A 115 0.471 -0.187 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.683 0.611 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.834 -0.979 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.817 -0.862 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.392 1.242 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.351 -0.219 8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.787 0.138 7.093 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.918 -2.973 4.348 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.947 -3.851 3.812 1.00 0.00 C ATOM 1754 C ASP A 116 -1.606 -5.305 4.127 1.00 0.00 C ATOM 1755 O ASP A 116 -2.490 -6.151 4.275 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.085 -3.656 2.300 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.529 -3.481 1.870 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.276 -2.768 2.573 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -3.913 -4.057 0.830 1.00 0.00 O ATOM 0 H ASP A 116 -0.475 -2.367 3.657 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.899 -3.600 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.509 -2.782 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.657 -4.516 1.785 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.311 -5.583 4.243 1.00 0.00 N ATOM 1765 CA GLU A 117 0.158 -6.915 4.600 1.00 0.00 C ATOM 1766 C GLU A 117 0.038 -7.106 6.103 1.00 0.00 C ATOM 1767 O GLU A 117 -0.253 -8.202 6.583 1.00 0.00 O ATOM 1768 CB GLU A 117 1.607 -7.117 4.155 1.00 0.00 C ATOM 1769 CG GLU A 117 1.741 -7.576 2.713 1.00 0.00 C ATOM 1770 CD GLU A 117 3.137 -7.361 2.159 1.00 0.00 C ATOM 1771 OE1 GLU A 117 4.045 -8.140 2.520 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.321 -6.414 1.366 1.00 0.00 O ATOM 0 H GLU A 117 0.433 -4.901 4.094 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.458 -7.655 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.151 -6.181 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 117 2.080 -7.852 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.487 -8.634 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.022 -7.037 2.096 1.00 0.00 H new ATOM 1779 N ALA A 118 0.245 -6.018 6.842 1.00 0.00 N ATOM 1780 CA ALA A 118 0.088 -6.043 8.286 1.00 0.00 C ATOM 1781 C ALA A 118 -1.376 -6.220 8.619 1.00 0.00 C ATOM 1782 O ALA A 118 -1.737 -6.619 9.721 1.00 0.00 O ATOM 1783 CB ALA A 118 0.643 -4.782 8.924 1.00 0.00 C ATOM 0 H ALA A 118 0.521 -5.113 6.462 1.00 0.00 H new ATOM 0 HA ALA A 118 0.655 -6.881 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.510 -4.832 10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.705 -4.694 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.113 -3.913 8.533 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.209 -5.945 7.630 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.638 -6.145 7.749 1.00 0.00 C ATOM 1791 C VAL A 119 -3.931 -7.626 7.864 1.00 0.00 C ATOM 1792 O VAL A 119 -4.591 -8.078 8.798 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.356 -5.582 6.529 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.787 -6.093 6.470 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.286 -4.066 6.569 1.00 0.00 C ATOM 0 H VAL A 119 -1.912 -5.578 6.726 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.993 -5.626 8.639 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.866 -5.921 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.285 -5.681 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.782 -7.181 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.321 -5.784 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.798 -3.655 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.767 -3.703 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.243 -3.750 6.559 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.398 -8.373 6.909 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.531 -9.817 6.895 1.00 0.00 C ATOM 1807 C ALA A 120 -2.982 -10.403 8.191 1.00 0.00 C ATOM 1808 O ALA A 120 -3.422 -11.458 8.654 1.00 0.00 O ATOM 1809 CB ALA A 120 -2.794 -10.375 5.692 1.00 0.00 C ATOM 0 H ALA A 120 -2.864 -7.995 6.126 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.583 -10.090 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.891 -11.461 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.221 -9.960 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.740 -10.106 5.754 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.032 -9.685 8.782 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.412 -10.087 10.034 1.00 0.00 C ATOM 1817 C VAL A 121 -2.234 -9.599 11.224 1.00 0.00 C ATOM 1818 O VAL A 121 -2.266 -10.234 12.279 1.00 0.00 O ATOM 1819 CB VAL A 121 0.021 -9.519 10.127 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.527 -9.527 11.558 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.961 -10.294 9.217 1.00 0.00 C ATOM 0 H VAL A 121 -1.672 -8.809 8.404 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.370 -11.176 10.058 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.007 -8.482 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.538 -9.121 11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.128 -8.916 12.179 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.535 -10.550 11.935 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.966 -9.880 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.976 -11.342 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.616 -10.216 8.186 1.00 0.00 H new ATOM 1831 N LEU A 122 -2.896 -8.461 11.041 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.717 -7.870 12.088 1.00 0.00 C ATOM 1833 C LEU A 122 -5.012 -8.656 12.253 1.00 0.00 C ATOM 1834 O LEU A 122 -5.569 -8.734 13.346 1.00 0.00 O ATOM 1835 CB LEU A 122 -3.991 -6.394 11.768 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.461 -5.972 11.727 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.863 -5.332 13.046 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.700 -5.010 10.574 1.00 0.00 C ATOM 0 H LEU A 122 -2.878 -7.928 10.171 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.180 -7.916 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.480 -5.782 12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.542 -6.164 10.802 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.076 -6.859 11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.911 -5.037 13.003 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.721 -6.048 13.856 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.245 -4.452 13.227 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.750 -4.717 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.079 -4.124 10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.443 -5.498 9.634 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.466 -9.262 11.161 1.00 0.00 N ATOM 1851 CA GLN A 123 -6.661 -10.095 11.189 1.00 0.00 C ATOM 1852 C GLN A 123 -6.301 -11.498 11.664 1.00 0.00 C ATOM 1853 O GLN A 123 -7.141 -12.229 12.186 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.302 -10.157 9.801 1.00 0.00 C ATOM 1855 CG GLN A 123 -7.809 -8.813 9.304 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.322 -8.729 9.292 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.939 -8.286 10.260 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.930 -9.157 8.191 1.00 0.00 N ATOM 0 H GLN A 123 -5.023 -9.191 10.245 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.379 -9.656 11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.573 -10.546 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.132 -10.863 9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.410 -8.021 9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.431 -8.636 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.379 -9.517 7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.947 -9.126 8.125 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.030 -11.852 11.488 1.00 0.00 N ATOM 1868 CA ALA A 124 -4.522 -13.153 11.901 1.00 0.00 C ATOM 1869 C ALA A 124 -4.076 -13.129 13.355 1.00 0.00 C ATOM 1870 O ALA A 124 -3.700 -14.159 13.915 1.00 0.00 O ATOM 1871 CB ALA A 124 -3.361 -13.559 11.011 1.00 0.00 C ATOM 0 H ALA A 124 -4.329 -11.248 11.058 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.327 -13.881 11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.985 -14.533 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.699 -13.617 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.564 -12.819 11.092 1.00 0.00 H new