USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= 0.581 K(o=1.2,f=-4.1) USER MOD Set 1.2: A 110 SER OG : rot 139:sc= 0.655 USER MOD Set 2.1: A 88 LYS NZ :NH3+ 152:sc= -0.0144 (180deg=0) USER MOD Set 2.2: A 92 MET CE :methyl -116:sc= -1.89 (180deg=-6.76!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.52 USER MOD Set 3.2: A 57 MET CE :methyl -179:sc= -3.55! (180deg=-3.46!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 60 SER OG : rot -29:sc= 0.185 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl 172:sc= -1.59 (180deg=-1.64!) USER MOD Single : A 79 GLN : amide:sc= -0.0584 K(o=-0.058,f=-1.4!) USER MOD Single : A 81 MET CE :methyl 178:sc= -0.98 (180deg=-1.01) USER MOD Single : A 82 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-7.7!) USER MOD Single : A 84 THR OG1 : rot 8:sc= 0.685 USER MOD Single : A 90 THR OG1 : rot -110:sc= -2.83! USER MOD Single : A 98 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.25) USER MOD Single : A 99 SER OG : rot 113:sc= 0.0303 USER MOD Single : A 104 MET CE :methyl 168:sc= -7.29! (180deg=-8.21!) 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= -0.372 X(o=-0.37,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.536 9.302 3.623 1.00 0.00 N ATOM 766 CA LEU A 53 1.814 9.173 4.313 1.00 0.00 C ATOM 767 C LEU A 53 2.562 7.928 3.850 1.00 0.00 C ATOM 768 O LEU A 53 1.956 6.893 3.570 1.00 0.00 O ATOM 769 CB LEU A 53 1.600 9.116 5.825 1.00 0.00 C ATOM 770 CG LEU A 53 2.503 10.048 6.642 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.668 11.060 7.411 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.381 9.250 7.593 1.00 0.00 C ATOM 0 HA LEU A 53 2.416 10.049 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.560 9.362 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.761 8.092 6.161 1.00 0.00 H new ATOM 0 HG LEU A 53 3.150 10.588 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.325 11.713 7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.084 11.658 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.995 10.536 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.013 9.931 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.752 8.681 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.008 8.565 7.022 1.00 0.00 H new ATOM 784 N THR A 54 3.883 8.041 3.766 1.00 0.00 N ATOM 785 CA THR A 54 4.728 6.928 3.350 1.00 0.00 C ATOM 786 C THR A 54 6.183 7.208 3.702 1.00 0.00 C ATOM 787 O THR A 54 6.480 8.142 4.447 1.00 0.00 O ATOM 788 CB THR A 54 4.590 6.676 1.845 1.00 0.00 C ATOM 789 OG1 THR A 54 3.594 7.509 1.282 1.00 0.00 O ATOM 790 CG2 THR A 54 4.233 5.244 1.510 1.00 0.00 C ATOM 0 H THR A 54 4.394 8.897 3.982 1.00 0.00 H new ATOM 0 HA THR A 54 4.402 6.034 3.882 1.00 0.00 H new ATOM 0 HB THR A 54 5.571 6.899 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.525 7.332 0.321 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.150 5.133 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.010 4.578 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.281 4.988 1.975 1.00 0.00 H new ATOM 798 N ALA A 55 7.089 6.398 3.163 1.00 0.00 N ATOM 799 CA ALA A 55 8.513 6.566 3.429 1.00 0.00 C ATOM 800 C ALA A 55 8.981 7.964 3.046 1.00 0.00 C ATOM 801 O ALA A 55 9.816 8.557 3.729 1.00 0.00 O ATOM 802 CB ALA A 55 9.321 5.515 2.690 1.00 0.00 C ATOM 0 H ALA A 55 6.863 5.621 2.541 1.00 0.00 H new ATOM 0 HA ALA A 55 8.672 6.438 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.381 5.656 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.015 4.522 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.148 5.611 1.618 1.00 0.00 H new ATOM 808 N SER A 56 8.436 8.489 1.952 1.00 0.00 N ATOM 809 CA SER A 56 8.789 9.825 1.491 1.00 0.00 C ATOM 810 C SER A 56 8.428 10.864 2.547 1.00 0.00 C ATOM 811 O SER A 56 9.212 11.769 2.835 1.00 0.00 O ATOM 812 CB SER A 56 8.076 10.145 0.176 1.00 0.00 C ATOM 813 OG SER A 56 8.163 9.057 -0.728 1.00 0.00 O ATOM 0 H SER A 56 7.749 8.009 1.370 1.00 0.00 H new ATOM 0 HA SER A 56 9.865 9.855 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.029 10.376 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.519 11.033 -0.275 1.00 0.00 H new ATOM 0 HG SER A 56 7.698 9.285 -1.560 1.00 0.00 H new ATOM 819 N MET A 57 7.242 10.716 3.130 1.00 0.00 N ATOM 820 CA MET A 57 6.788 11.621 4.177 1.00 0.00 C ATOM 821 C MET A 57 7.716 11.539 5.379 1.00 0.00 C ATOM 822 O MET A 57 8.062 12.551 5.987 1.00 0.00 O ATOM 823 CB MET A 57 5.362 11.266 4.606 1.00 0.00 C ATOM 824 CG MET A 57 4.280 11.724 3.637 1.00 0.00 C ATOM 825 SD MET A 57 4.879 11.961 1.952 1.00 0.00 S ATOM 826 CE MET A 57 4.714 10.301 1.300 1.00 0.00 C ATOM 0 H MET A 57 6.579 9.978 2.894 1.00 0.00 H new ATOM 0 HA MET A 57 6.799 12.637 3.783 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.291 10.185 4.727 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.169 11.709 5.583 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.476 10.988 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.853 12.660 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.063 10.279 0.267 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.311 9.614 1.899 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.667 9.998 1.336 1.00 0.00 H new ATOM 836 N LEU A 58 8.115 10.315 5.709 1.00 0.00 N ATOM 837 CA LEU A 58 9.019 10.072 6.824 1.00 0.00 C ATOM 838 C LEU A 58 10.335 10.808 6.615 1.00 0.00 C ATOM 839 O LEU A 58 10.849 11.461 7.524 1.00 0.00 O ATOM 840 CB LEU A 58 9.284 8.569 6.957 1.00 0.00 C ATOM 841 CG LEU A 58 8.173 7.732 7.612 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.930 8.565 7.905 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.824 6.550 6.719 1.00 0.00 C ATOM 0 H LEU A 58 7.823 9.472 5.215 1.00 0.00 H new ATOM 0 HA LEU A 58 8.553 10.442 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.473 8.166 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.199 8.434 7.534 1.00 0.00 H new ATOM 0 HG LEU A 58 8.548 7.366 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.170 7.935 8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.189 9.378 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.541 8.978 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.036 5.960 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.478 6.914 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.708 5.928 6.577 1.00 0.00 H new ATOM 855 N ALA A 59 10.871 10.695 5.404 1.00 0.00 N ATOM 856 CA ALA A 59 12.132 11.340 5.059 1.00 0.00 C ATOM 857 C ALA A 59 11.982 12.858 5.006 1.00 0.00 C ATOM 858 O ALA A 59 12.974 13.587 4.951 1.00 0.00 O ATOM 859 CB ALA A 59 12.644 10.814 3.726 1.00 0.00 C ATOM 0 H ALA A 59 10.450 10.161 4.644 1.00 0.00 H new ATOM 0 HA ALA A 59 12.856 11.101 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.586 11.303 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.802 9.738 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.911 11.024 2.947 1.00 0.00 H new ATOM 865 N SER A 60 10.738 13.328 5.022 1.00 0.00 N ATOM 866 CA SER A 60 10.462 14.761 4.977 1.00 0.00 C ATOM 867 C SER A 60 10.726 15.407 6.333 1.00 0.00 C ATOM 868 O SER A 60 10.714 16.632 6.462 1.00 0.00 O ATOM 869 CB SER A 60 9.015 15.014 4.551 1.00 0.00 C ATOM 870 OG SER A 60 8.765 16.399 4.387 1.00 0.00 O ATOM 0 H SER A 60 9.906 12.739 5.066 1.00 0.00 H new ATOM 0 HA SER A 60 11.131 15.210 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.811 14.492 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.336 14.605 5.299 1.00 0.00 H new ATOM 0 HG SER A 60 9.344 16.910 4.991 1.00 0.00 H new ATOM 876 N ALA A 61 10.974 14.575 7.340 1.00 0.00 N ATOM 877 CA ALA A 61 11.247 15.055 8.683 1.00 0.00 C ATOM 878 C ALA A 61 12.462 14.339 9.265 1.00 0.00 C ATOM 879 O ALA A 61 12.531 13.112 9.240 1.00 0.00 O ATOM 880 CB ALA A 61 10.032 14.843 9.574 1.00 0.00 C ATOM 0 H ALA A 61 10.991 13.559 7.246 1.00 0.00 H new ATOM 0 HA ALA A 61 11.463 16.122 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.249 15.207 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.182 15.390 9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.793 13.780 9.617 1.00 0.00 H new ATOM 946 N GLN A 66 10.764 10.868 11.961 1.00 0.00 N ATOM 947 CA GLN A 66 11.359 9.808 11.153 1.00 0.00 C ATOM 948 C GLN A 66 11.150 8.450 11.806 1.00 0.00 C ATOM 949 O GLN A 66 11.148 7.418 11.137 1.00 0.00 O ATOM 950 CB GLN A 66 12.853 10.060 10.958 1.00 0.00 C ATOM 951 CG GLN A 66 13.261 10.175 9.502 1.00 0.00 C ATOM 952 CD GLN A 66 14.635 9.594 9.230 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.778 8.644 8.461 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.654 10.163 9.863 1.00 0.00 N ATOM 0 HA GLN A 66 10.867 9.810 10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.130 10.977 11.478 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.414 9.249 11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.526 9.663 8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.250 11.225 9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.489 10.949 10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.602 9.814 9.720 1.00 0.00 H new ATOM 963 N LYS A 67 10.967 8.467 13.120 1.00 0.00 N ATOM 964 CA LYS A 67 10.746 7.245 13.883 1.00 0.00 C ATOM 965 C LYS A 67 9.528 7.385 14.793 1.00 0.00 C ATOM 966 O LYS A 67 9.422 6.704 15.812 1.00 0.00 O ATOM 967 CB LYS A 67 11.987 6.912 14.715 1.00 0.00 C ATOM 968 CG LYS A 67 12.272 7.925 15.813 1.00 0.00 C ATOM 969 CD LYS A 67 12.167 7.295 17.192 1.00 0.00 C ATOM 970 CE LYS A 67 13.351 6.389 17.482 1.00 0.00 C ATOM 971 NZ LYS A 67 13.310 5.847 18.868 1.00 0.00 N ATOM 0 H LYS A 67 10.967 9.318 13.682 1.00 0.00 H new ATOM 0 HA LYS A 67 10.558 6.433 13.181 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.860 5.927 15.165 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.852 6.851 14.054 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.271 8.340 15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.569 8.754 15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.113 8.078 17.948 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.243 6.721 17.262 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.360 5.564 16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.277 6.945 17.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.135 5.234 19.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.328 6.633 19.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.438 5.295 18.999 1.00 0.00 H new ATOM 985 N GLN A 68 8.607 8.270 14.415 1.00 0.00 N ATOM 986 CA GLN A 68 7.410 8.510 15.212 1.00 0.00 C ATOM 987 C GLN A 68 6.139 8.450 14.365 1.00 0.00 C ATOM 988 O GLN A 68 5.236 7.661 14.646 1.00 0.00 O ATOM 989 CB GLN A 68 7.509 9.874 15.902 1.00 0.00 C ATOM 990 CG GLN A 68 6.339 10.179 16.825 1.00 0.00 C ATOM 991 CD GLN A 68 6.626 11.332 17.767 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.053 12.406 17.341 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.394 11.117 19.057 1.00 0.00 N ATOM 0 H GLN A 68 8.668 8.830 13.565 1.00 0.00 H new ATOM 0 HA GLN A 68 7.348 7.720 15.960 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.434 9.914 16.477 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.573 10.652 15.141 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.460 10.414 16.226 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.099 9.290 17.408 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.040 10.212 19.368 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.570 11.857 19.737 1.00 0.00 H new ATOM 1002 N MET A 69 6.066 9.295 13.338 1.00 0.00 N ATOM 1003 CA MET A 69 4.874 9.374 12.493 1.00 0.00 C ATOM 1004 C MET A 69 4.744 8.177 11.549 1.00 0.00 C ATOM 1005 O MET A 69 4.007 8.236 10.565 1.00 0.00 O ATOM 1006 CB MET A 69 4.892 10.673 11.684 1.00 0.00 C ATOM 1007 CG MET A 69 5.893 10.673 10.541 1.00 0.00 C ATOM 1008 SD MET A 69 5.314 11.616 9.117 1.00 0.00 S ATOM 1009 CE MET A 69 6.776 12.572 8.732 1.00 0.00 C ATOM 0 H MET A 69 6.815 9.933 13.071 1.00 0.00 H new ATOM 0 HA MET A 69 4.009 9.359 13.156 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.895 10.852 11.281 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.119 11.503 12.353 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.838 11.090 10.889 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.092 9.646 10.236 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.628 13.101 7.790 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.959 13.294 9.528 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.634 11.905 8.643 1.00 0.00 H new ATOM 1019 N LEU A 70 5.454 7.096 11.849 1.00 0.00 N ATOM 1020 CA LEU A 70 5.397 5.889 11.026 1.00 0.00 C ATOM 1021 C LEU A 70 4.290 4.969 11.508 1.00 0.00 C ATOM 1022 O LEU A 70 3.596 4.338 10.712 1.00 0.00 O ATOM 1023 CB LEU A 70 6.734 5.142 11.056 1.00 0.00 C ATOM 1024 CG LEU A 70 7.736 5.651 12.089 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.877 4.663 12.266 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.257 7.013 11.676 1.00 0.00 C ATOM 0 H LEU A 70 6.076 7.028 12.655 1.00 0.00 H new ATOM 0 HA LEU A 70 5.189 6.195 10.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.539 4.087 11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.190 5.205 10.068 1.00 0.00 H new ATOM 0 HG LEU A 70 7.230 5.749 13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.579 5.046 13.007 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.480 3.706 12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.392 4.527 11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.971 7.370 12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.749 6.936 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.426 7.715 11.606 1.00 0.00 H new ATOM 1038 N GLY A 71 4.146 4.881 12.822 1.00 0.00 N ATOM 1039 CA GLY A 71 3.121 4.041 13.392 1.00 0.00 C ATOM 1040 C GLY A 71 2.303 4.767 14.438 1.00 0.00 C ATOM 1041 O GLY A 71 1.587 4.141 15.218 1.00 0.00 O ATOM 0 H GLY A 71 4.722 5.378 13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.462 3.686 12.600 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.582 3.161 13.840 1.00 0.00 H new ATOM 1045 N GLU A 72 2.390 6.096 14.447 1.00 0.00 N ATOM 1046 CA GLU A 72 1.648 6.886 15.425 1.00 0.00 C ATOM 1047 C GLU A 72 0.937 8.076 14.782 1.00 0.00 C ATOM 1048 O GLU A 72 0.096 8.715 15.415 1.00 0.00 O ATOM 1049 CB GLU A 72 2.586 7.359 16.542 1.00 0.00 C ATOM 1050 CG GLU A 72 3.064 8.798 16.400 1.00 0.00 C ATOM 1051 CD GLU A 72 2.974 9.574 17.700 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.193 8.968 18.770 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.685 10.788 17.647 1.00 0.00 O ATOM 0 H GLU A 72 2.958 6.641 13.798 1.00 0.00 H new ATOM 0 HA GLU A 72 0.878 6.243 15.851 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.074 7.253 17.498 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.455 6.702 16.571 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.096 8.801 16.050 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.468 9.301 15.639 1.00 0.00 H new ATOM 1060 N ARG A 73 1.259 8.363 13.525 1.00 0.00 N ATOM 1061 CA ARG A 73 0.639 9.481 12.826 1.00 0.00 C ATOM 1062 C ARG A 73 0.040 9.027 11.502 1.00 0.00 C ATOM 1063 O ARG A 73 -0.755 9.742 10.892 1.00 0.00 O ATOM 1064 CB ARG A 73 1.663 10.587 12.581 1.00 0.00 C ATOM 1065 CG ARG A 73 1.081 11.988 12.676 1.00 0.00 C ATOM 1066 CD ARG A 73 0.781 12.561 11.301 1.00 0.00 C ATOM 1067 NE ARG A 73 0.213 13.904 11.381 1.00 0.00 N ATOM 1068 CZ ARG A 73 -1.040 14.197 11.045 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -1.854 13.245 10.607 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.481 15.443 11.147 1.00 0.00 N ATOM 0 H ARG A 73 1.940 7.841 12.974 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.163 9.870 13.454 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.472 10.489 13.305 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.102 10.451 11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.166 11.964 13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.782 12.640 13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.698 12.589 10.712 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.086 11.904 10.778 1.00 0.00 H new ATOM 0 HE ARG A 73 0.811 14.660 11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.519 12.285 10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.814 13.473 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.859 16.178 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.442 15.667 10.889 1.00 0.00 H new ATOM 1084 N LEU A 74 0.414 7.828 11.071 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.096 7.271 9.826 1.00 0.00 C ATOM 1086 C LEU A 74 -1.516 6.753 9.998 1.00 0.00 C ATOM 1087 O LEU A 74 -2.188 6.432 9.020 1.00 0.00 O ATOM 1088 CB LEU A 74 0.800 6.131 9.358 1.00 0.00 C ATOM 1089 CG LEU A 74 1.638 6.446 8.131 1.00 0.00 C ATOM 1090 CD1 LEU A 74 3.024 5.843 8.275 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.948 5.942 6.874 1.00 0.00 C ATOM 0 H LEU A 74 1.069 7.223 11.566 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.102 8.067 9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.466 5.852 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.178 5.262 9.143 1.00 0.00 H new ATOM 0 HG LEU A 74 1.745 7.527 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.616 6.075 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.512 6.259 9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.941 4.761 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.561 6.176 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.811 4.863 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.024 6.426 6.773 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.955 6.655 11.249 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.284 6.138 11.561 1.00 0.00 C ATOM 1105 C PHE A 75 -4.369 6.765 10.673 1.00 0.00 C ATOM 1106 O PHE A 75 -5.129 6.042 10.027 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.611 6.361 13.042 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.982 5.894 13.437 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.471 4.674 12.993 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.782 6.674 14.258 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.735 4.247 13.355 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.045 6.248 14.625 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.522 5.034 14.173 1.00 0.00 C ATOM 0 H PHE A 75 -1.408 6.928 12.066 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.273 5.068 11.356 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.871 5.841 13.650 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.520 7.423 13.269 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.858 4.052 12.358 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.414 7.625 14.615 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.107 3.298 12.998 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.658 6.865 15.265 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.509 4.700 14.458 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.469 8.110 10.621 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.484 8.789 9.803 1.00 0.00 C ATOM 1125 C PRO A 76 -5.313 8.503 8.313 1.00 0.00 C ATOM 1126 O PRO A 76 -6.220 8.748 7.518 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.253 10.279 10.088 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.467 10.317 11.353 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.626 9.075 11.348 1.00 0.00 C ATOM 0 HA PRO A 76 -6.490 8.449 10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.710 10.756 9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.198 10.811 10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.845 11.211 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.125 10.340 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.671 9.235 10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.402 8.735 12.359 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.145 7.987 7.945 1.00 0.00 N ATOM 1138 CA LEU A 77 -3.850 7.685 6.548 1.00 0.00 C ATOM 1139 C LEU A 77 -4.187 6.236 6.206 1.00 0.00 C ATOM 1140 O LEU A 77 -4.495 5.923 5.055 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.372 7.959 6.247 1.00 0.00 C ATOM 1142 CG LEU A 77 -1.969 9.436 6.177 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.035 10.268 5.478 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.701 9.966 7.572 1.00 0.00 C ATOM 0 H LEU A 77 -3.388 7.769 8.593 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.472 8.333 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.768 7.473 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.121 7.488 5.297 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.055 9.515 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.719 11.311 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.176 9.899 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.974 10.191 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.415 11.016 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.602 9.868 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.893 9.395 8.029 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.120 5.351 7.198 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.412 3.938 6.968 1.00 0.00 C ATOM 1158 C ILE A 78 -5.894 3.718 6.711 1.00 0.00 C ATOM 1159 O ILE A 78 -6.273 2.918 5.856 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.981 3.050 8.141 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.626 3.496 8.688 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.928 1.595 7.700 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.480 3.262 7.731 1.00 0.00 C ATOM 0 H ILE A 78 -3.869 5.583 8.159 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.835 3.654 6.088 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.716 3.148 8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.674 4.557 8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.426 2.964 9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.621 0.971 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.914 1.282 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.211 1.487 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.550 3.603 8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.405 2.198 7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.657 3.816 6.809 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.730 4.429 7.461 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.176 4.338 7.296 1.00 0.00 C ATOM 1177 C GLN A 79 -8.557 4.585 5.840 1.00 0.00 C ATOM 1178 O GLN A 79 -9.668 4.281 5.409 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.867 5.368 8.189 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.364 4.806 9.510 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.687 5.888 10.521 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.106 6.974 10.493 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.618 5.597 11.422 1.00 0.00 N ATOM 0 H GLN A 79 -6.430 5.076 8.190 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.499 3.337 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.172 6.183 8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.711 5.796 7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.255 4.203 9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.607 4.141 9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.074 4.685 11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.877 6.286 12.128 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.616 5.154 5.098 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.807 5.446 3.684 1.00 0.00 C ATOM 1194 C ALA A 80 -7.510 4.220 2.826 1.00 0.00 C ATOM 1195 O ALA A 80 -8.167 3.987 1.812 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.916 6.605 3.263 1.00 0.00 C ATOM 0 H ALA A 80 -6.701 5.425 5.458 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.850 5.723 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.067 6.814 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.169 7.490 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.872 6.343 3.435 1.00 0.00 H new ATOM 1202 N MET A 81 -6.499 3.451 3.226 1.00 0.00 N ATOM 1203 CA MET A 81 -6.114 2.251 2.489 1.00 0.00 C ATOM 1204 C MET A 81 -7.108 1.124 2.738 1.00 0.00 C ATOM 1205 O MET A 81 -7.391 0.319 1.850 1.00 0.00 O ATOM 1206 CB MET A 81 -4.713 1.783 2.896 1.00 0.00 C ATOM 1207 CG MET A 81 -3.756 2.907 3.258 1.00 0.00 C ATOM 1208 SD MET A 81 -2.678 2.478 4.636 1.00 0.00 S ATOM 1209 CE MET A 81 -1.124 2.224 3.789 1.00 0.00 C ATOM 0 H MET A 81 -5.934 3.637 4.054 1.00 0.00 H new ATOM 0 HA MET A 81 -6.112 2.505 1.429 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.802 1.109 3.748 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.284 1.206 2.077 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.147 3.156 2.389 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.328 3.799 3.513 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.348 1.986 4.516 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.225 1.399 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.851 3.131 3.250 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.613 1.064 3.963 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.547 0.021 4.362 1.00 0.00 C ATOM 1221 C HIS A 82 -9.826 0.626 4.931 1.00 0.00 C ATOM 1222 O HIS A 82 -9.841 1.792 5.314 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.885 -0.878 5.405 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.121 -2.019 4.810 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.357 -3.318 5.189 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.142 -2.004 3.873 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.532 -4.060 4.472 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.767 -3.305 3.672 1.00 0.00 N ATOM 0 H HIS A 82 -7.389 1.731 4.702 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.812 -0.568 3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.210 -0.278 6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.651 -1.273 6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.736 -1.133 3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.481 -5.138 4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.043 -3.637 3.035 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.920 -0.158 5.001 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.198 0.321 5.543 1.00 0.00 C ATOM 1238 C PRO A 83 -12.117 0.597 7.042 1.00 0.00 C ATOM 1239 O PRO A 83 -12.664 -0.153 7.853 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.165 -0.831 5.258 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.297 -2.038 5.163 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.000 -1.567 4.568 1.00 0.00 C ATOM 0 HA PRO A 83 -12.505 1.266 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.902 -0.935 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.716 -0.666 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.137 -2.483 6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.758 -2.803 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.154 -2.149 4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.000 -1.655 3.482 1.00 0.00 H new ATOM 1250 N THR A 84 -11.422 1.675 7.399 1.00 0.00 N ATOM 1251 CA THR A 84 -11.244 2.064 8.795 1.00 0.00 C ATOM 1252 C THR A 84 -10.839 0.870 9.658 1.00 0.00 C ATOM 1253 O THR A 84 -11.328 0.703 10.777 1.00 0.00 O ATOM 1254 CB THR A 84 -12.525 2.701 9.342 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.584 1.760 9.368 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.990 3.897 8.540 1.00 0.00 C ATOM 0 H THR A 84 -10.969 2.300 6.732 1.00 0.00 H new ATOM 0 HA THR A 84 -10.439 2.798 8.835 1.00 0.00 H new ATOM 0 HB THR A 84 -12.272 3.036 10.348 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.236 0.870 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.902 4.299 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.215 4.663 8.547 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.189 3.591 7.513 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.939 0.044 9.130 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.456 -1.131 9.848 1.00 0.00 C ATOM 1266 C LEU A 85 -8.110 -0.848 10.499 1.00 0.00 C ATOM 1267 O LEU A 85 -7.439 -1.757 10.990 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.327 -2.314 8.891 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.376 -3.415 9.071 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.749 -2.923 8.643 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.984 -4.658 8.287 1.00 0.00 C ATOM 0 H LEU A 85 -9.529 0.168 8.204 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.177 -1.376 10.628 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.386 -1.942 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.337 -2.754 9.013 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.422 -3.676 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.480 -3.720 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.033 -2.063 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.720 -2.632 7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.741 -5.430 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.908 -4.411 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.022 -5.025 8.644 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.732 0.423 10.507 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.457 0.852 11.079 1.00 0.00 C ATOM 1285 C ALA A 86 -6.457 0.767 12.605 1.00 0.00 C ATOM 1286 O ALA A 86 -5.662 1.431 13.268 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.144 2.271 10.634 1.00 0.00 C ATOM 0 H ALA A 86 -8.293 1.182 10.121 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.685 0.174 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.193 2.585 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.080 2.306 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.934 2.941 10.973 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.339 -0.064 13.157 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.413 -0.218 14.599 1.00 0.00 C ATOM 1295 C GLY A 87 -6.105 -0.692 15.204 1.00 0.00 C ATOM 1296 O GLY A 87 -5.896 -0.575 16.412 1.00 0.00 O ATOM 0 H GLY A 87 -8.003 -0.632 12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.692 0.735 15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.201 -0.930 14.845 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.222 -1.229 14.365 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.927 -1.718 14.828 1.00 0.00 C ATOM 1302 C LYS A 88 -3.006 -2.029 13.652 1.00 0.00 C ATOM 1303 O LYS A 88 -2.170 -2.928 13.727 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.105 -2.970 15.694 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.818 -3.444 16.355 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.774 -4.960 16.462 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.893 -5.569 15.381 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.825 -7.052 15.489 1.00 0.00 N ATOM 0 H LYS A 88 -5.380 -1.336 13.363 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.469 -0.932 15.428 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.846 -2.764 16.467 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.504 -3.775 15.076 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.961 -3.094 15.779 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.735 -3.005 17.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.397 -5.246 17.444 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.784 -5.361 16.379 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.280 -5.294 14.400 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.888 -5.153 15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.650 -7.461 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.052 -7.318 16.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.725 -7.415 15.862 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.173 -1.314 12.549 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.320 -1.537 11.396 1.00 0.00 C ATOM 1324 C ILE A 89 -0.978 -0.826 11.560 1.00 0.00 C ATOM 1325 O ILE A 89 -0.033 -1.394 12.103 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.984 -1.101 10.083 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.324 -1.826 9.908 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.048 -1.404 8.928 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.185 -1.269 8.794 1.00 0.00 C ATOM 0 H ILE A 89 -3.879 -0.587 12.430 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.151 -2.612 11.341 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.181 -0.029 10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.132 -2.881 9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.880 -1.772 10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.514 -1.097 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.114 -0.859 9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.843 -2.474 8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.114 -1.835 8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.410 -0.222 8.997 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.651 -1.348 7.847 1.00 0.00 H new ATOM 1341 N THR A 90 -0.907 0.419 11.092 1.00 0.00 N ATOM 1342 CA THR A 90 0.316 1.213 11.179 1.00 0.00 C ATOM 1343 C THR A 90 0.853 1.238 12.603 1.00 0.00 C ATOM 1344 O THR A 90 2.061 1.149 12.820 1.00 0.00 O ATOM 1345 CB THR A 90 0.040 2.634 10.683 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.770 2.892 9.496 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.379 3.730 11.672 1.00 0.00 C ATOM 0 H THR A 90 -1.687 0.901 10.646 1.00 0.00 H new ATOM 0 HA THR A 90 1.077 0.754 10.548 1.00 0.00 H new ATOM 0 HB THR A 90 -1.037 2.661 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.482 3.539 9.684 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.150 4.701 11.232 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.209 3.595 12.580 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.440 3.684 11.917 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.047 1.383 13.568 1.00 0.00 N ATOM 1356 CA GLY A 91 0.369 1.390 14.953 1.00 0.00 C ATOM 1357 C GLY A 91 1.178 0.159 15.285 1.00 0.00 C ATOM 1358 O GLY A 91 2.112 0.209 16.086 1.00 0.00 O ATOM 0 H GLY A 91 -1.049 1.495 13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.961 2.283 15.153 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.508 1.438 15.599 1.00 0.00 H new ATOM 1362 N MET A 92 0.848 -0.942 14.622 1.00 0.00 N ATOM 1363 CA MET A 92 1.547 -2.188 14.832 1.00 0.00 C ATOM 1364 C MET A 92 2.786 -2.256 13.955 1.00 0.00 C ATOM 1365 O MET A 92 3.734 -2.979 14.256 1.00 0.00 O ATOM 1366 CB MET A 92 0.601 -3.346 14.538 1.00 0.00 C ATOM 1367 CG MET A 92 1.197 -4.452 13.704 1.00 0.00 C ATOM 1368 SD MET A 92 0.551 -4.480 12.026 1.00 0.00 S ATOM 1369 CE MET A 92 -0.572 -5.868 12.138 1.00 0.00 C ATOM 0 H MET A 92 0.097 -0.990 13.934 1.00 0.00 H new ATOM 0 HA MET A 92 1.875 -2.254 15.869 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.259 -3.767 15.484 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.279 -2.957 14.025 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.280 -4.333 13.670 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.997 -5.411 14.182 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.233 -6.665 11.476 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.596 -6.234 13.164 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.572 -5.552 11.842 1.00 0.00 H new ATOM 1379 N LEU A 93 2.780 -1.477 12.880 1.00 0.00 N ATOM 1380 CA LEU A 93 3.919 -1.418 11.977 1.00 0.00 C ATOM 1381 C LEU A 93 5.155 -0.942 12.722 1.00 0.00 C ATOM 1382 O LEU A 93 6.263 -0.980 12.194 1.00 0.00 O ATOM 1383 CB LEU A 93 3.618 -0.488 10.811 1.00 0.00 C ATOM 1384 CG LEU A 93 3.050 -1.167 9.562 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.103 -2.051 8.910 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.813 -1.976 9.913 1.00 0.00 C ATOM 0 H LEU A 93 1.998 -0.878 12.614 1.00 0.00 H new ATOM 0 HA LEU A 93 4.108 -2.418 11.587 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.910 0.270 11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.536 0.032 10.536 1.00 0.00 H new ATOM 0 HG LEU A 93 2.763 -0.394 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.682 -2.526 8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.961 -1.443 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.422 -2.818 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.422 -2.452 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.074 -2.741 10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.054 -1.316 10.333 1.00 0.00 H new ATOM 1398 N LEU A 94 4.952 -0.479 13.949 1.00 0.00 N ATOM 1399 CA LEU A 94 6.055 -0.059 14.791 1.00 0.00 C ATOM 1400 C LEU A 94 6.334 -1.140 15.822 1.00 0.00 C ATOM 1401 O LEU A 94 6.821 -0.865 16.918 1.00 0.00 O ATOM 1402 CB LEU A 94 5.728 1.268 15.475 1.00 0.00 C ATOM 1403 CG LEU A 94 6.374 2.503 14.839 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.871 2.519 15.104 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.094 2.544 13.343 1.00 0.00 C ATOM 0 H LEU A 94 4.032 -0.386 14.380 1.00 0.00 H new ATOM 0 HA LEU A 94 6.944 0.090 14.178 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.646 1.402 15.475 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.042 1.209 16.517 1.00 0.00 H new ATOM 0 HG LEU A 94 5.936 3.392 15.293 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.312 3.403 14.645 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.050 2.541 16.179 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.325 1.624 14.679 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.561 3.428 12.910 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.502 1.650 12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.018 2.583 13.175 1.00 0.00 H new ATOM 1417 N GLU A 95 5.985 -2.373 15.462 1.00 0.00 N ATOM 1418 CA GLU A 95 6.163 -3.510 16.352 1.00 0.00 C ATOM 1419 C GLU A 95 6.030 -4.843 15.610 1.00 0.00 C ATOM 1420 O GLU A 95 6.200 -5.902 16.214 1.00 0.00 O ATOM 1421 CB GLU A 95 5.145 -3.451 17.495 1.00 0.00 C ATOM 1422 CG GLU A 95 3.755 -3.928 17.102 1.00 0.00 C ATOM 1423 CD GLU A 95 2.878 -4.220 18.304 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.933 -5.357 18.816 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.136 -3.311 18.733 1.00 0.00 O ATOM 0 H GLU A 95 5.577 -2.607 14.557 1.00 0.00 H new ATOM 0 HA GLU A 95 7.173 -3.452 16.757 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.507 -4.059 18.324 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.078 -2.425 17.858 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.276 -3.169 16.483 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.842 -4.828 16.493 1.00 0.00 H new ATOM 1432 N ILE A 96 5.766 -4.797 14.300 1.00 0.00 N ATOM 1433 CA ILE A 96 5.618 -6.032 13.521 1.00 0.00 C ATOM 1434 C ILE A 96 6.912 -6.847 13.505 1.00 0.00 C ATOM 1435 O ILE A 96 7.738 -6.758 14.415 1.00 0.00 O ATOM 1436 CB ILE A 96 5.235 -5.773 12.046 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.403 -5.147 11.287 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.995 -4.914 11.919 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.698 -3.727 11.676 1.00 0.00 C ATOM 0 H ILE A 96 5.652 -3.936 13.765 1.00 0.00 H new ATOM 0 HA ILE A 96 4.816 -6.578 14.018 1.00 0.00 H new ATOM 0 HB ILE A 96 5.004 -6.740 11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.295 -5.751 11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.189 -5.183 10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.766 -4.760 10.865 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.156 -5.413 12.404 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.170 -3.950 12.397 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.540 -3.357 11.091 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.822 -3.107 11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.946 -3.684 12.737 1.00 0.00 H new ATOM 1451 N ASP A 97 7.092 -7.601 12.421 1.00 0.00 N ATOM 1452 CA ASP A 97 8.292 -8.386 12.193 1.00 0.00 C ATOM 1453 C ASP A 97 9.544 -7.520 12.295 1.00 0.00 C ATOM 1454 O ASP A 97 10.665 -8.030 12.281 1.00 0.00 O ATOM 1455 CB ASP A 97 8.213 -9.006 10.799 1.00 0.00 C ATOM 1456 CG ASP A 97 9.056 -10.259 10.669 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.053 -11.077 11.612 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.719 -10.421 9.623 1.00 0.00 O ATOM 0 H ASP A 97 6.401 -7.681 11.675 1.00 0.00 H new ATOM 0 HA ASP A 97 8.356 -9.163 12.955 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.175 -9.246 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.541 -8.274 10.061 1.00 0.00 H new ATOM 1463 N ASN A 98 9.330 -6.205 12.358 1.00 0.00 N ATOM 1464 CA ASN A 98 10.407 -5.224 12.452 1.00 0.00 C ATOM 1465 C ASN A 98 11.046 -4.976 11.092 1.00 0.00 C ATOM 1466 O ASN A 98 11.635 -3.921 10.858 1.00 0.00 O ATOM 1467 CB ASN A 98 11.467 -5.653 13.472 1.00 0.00 C ATOM 1468 CG ASN A 98 11.303 -4.950 14.807 1.00 0.00 C ATOM 1469 OD1 ASN A 98 12.278 -4.497 15.406 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.066 -4.858 15.279 1.00 0.00 N ATOM 0 H ASN A 98 8.398 -5.790 12.345 1.00 0.00 H new ATOM 0 HA ASN A 98 9.965 -4.290 12.797 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.407 -6.731 13.622 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.459 -5.441 13.072 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.894 -4.397 16.173 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.287 -5.248 14.748 1.00 0.00 H new ATOM 1477 N SER A 99 10.912 -5.940 10.189 1.00 0.00 N ATOM 1478 CA SER A 99 11.430 -5.782 8.838 1.00 0.00 C ATOM 1479 C SER A 99 10.503 -4.875 8.044 1.00 0.00 C ATOM 1480 O SER A 99 10.926 -4.200 7.105 1.00 0.00 O ATOM 1481 CB SER A 99 11.568 -7.136 8.143 1.00 0.00 C ATOM 1482 OG SER A 99 12.007 -8.133 9.049 1.00 0.00 O ATOM 0 H SER A 99 10.452 -6.833 10.367 1.00 0.00 H new ATOM 0 HA SER A 99 12.421 -5.331 8.893 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.609 -7.427 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.275 -7.054 7.317 1.00 0.00 H new ATOM 0 HG SER A 99 11.291 -8.788 9.187 1.00 0.00 H new ATOM 1488 N GLU A 100 9.238 -4.849 8.452 1.00 0.00 N ATOM 1489 CA GLU A 100 8.247 -3.986 7.830 1.00 0.00 C ATOM 1490 C GLU A 100 8.418 -2.563 8.331 1.00 0.00 C ATOM 1491 O GLU A 100 8.306 -1.608 7.567 1.00 0.00 O ATOM 1492 CB GLU A 100 6.837 -4.479 8.139 1.00 0.00 C ATOM 1493 CG GLU A 100 6.517 -5.838 7.551 1.00 0.00 C ATOM 1494 CD GLU A 100 7.024 -6.981 8.402 1.00 0.00 C ATOM 1495 OE1 GLU A 100 8.213 -7.339 8.268 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.228 -7.528 9.195 1.00 0.00 O ATOM 0 H GLU A 100 8.876 -5.420 9.216 1.00 0.00 H new ATOM 0 HA GLU A 100 8.393 -4.009 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.707 -4.523 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.118 -3.752 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.438 -5.932 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.956 -5.910 6.556 1.00 0.00 H new ATOM 1503 N LEU A 101 8.711 -2.432 9.624 1.00 0.00 N ATOM 1504 CA LEU A 101 8.942 -1.127 10.227 1.00 0.00 C ATOM 1505 C LEU A 101 10.171 -0.478 9.602 1.00 0.00 C ATOM 1506 O LEU A 101 10.345 0.738 9.651 1.00 0.00 O ATOM 1507 CB LEU A 101 9.122 -1.267 11.746 1.00 0.00 C ATOM 1508 CG LEU A 101 10.518 -0.938 12.286 1.00 0.00 C ATOM 1509 CD1 LEU A 101 10.590 0.516 12.728 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.877 -1.864 13.438 1.00 0.00 C ATOM 0 H LEU A 101 8.793 -3.216 10.271 1.00 0.00 H new ATOM 0 HA LEU A 101 8.076 -0.492 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.400 -0.617 12.240 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.876 -2.290 12.029 1.00 0.00 H new ATOM 0 HG LEU A 101 11.241 -1.090 11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.588 0.732 13.109 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.377 1.165 11.879 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.856 0.694 13.514 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.872 -1.615 13.808 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.150 -1.744 14.241 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.867 -2.897 13.091 1.00 0.00 H new ATOM 1522 N LEU A 102 11.019 -1.315 9.017 1.00 0.00 N ATOM 1523 CA LEU A 102 12.246 -0.860 8.381 1.00 0.00 C ATOM 1524 C LEU A 102 12.010 -0.502 6.922 1.00 0.00 C ATOM 1525 O LEU A 102 12.386 0.577 6.465 1.00 0.00 O ATOM 1526 CB LEU A 102 13.307 -1.961 8.462 1.00 0.00 C ATOM 1527 CG LEU A 102 14.066 -2.086 9.796 1.00 0.00 C ATOM 1528 CD1 LEU A 102 15.564 -2.155 9.543 1.00 0.00 C ATOM 1529 CD2 LEU A 102 13.737 -0.941 10.746 1.00 0.00 C ATOM 0 H LEU A 102 10.875 -2.324 8.971 1.00 0.00 H new ATOM 0 HA LEU A 102 12.588 0.032 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.825 -2.916 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.036 -1.792 7.669 1.00 0.00 H new ATOM 0 HG LEU A 102 13.742 -3.009 10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.090 -2.243 10.494 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.789 -3.022 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.889 -1.249 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.293 -1.068 11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.014 0.006 10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.668 -0.942 10.960 1.00 0.00 H new ATOM 1541 N HIS A 103 11.417 -1.435 6.188 1.00 0.00 N ATOM 1542 CA HIS A 103 11.156 -1.244 4.772 1.00 0.00 C ATOM 1543 C HIS A 103 10.187 -0.089 4.540 1.00 0.00 C ATOM 1544 O HIS A 103 10.346 0.682 3.594 1.00 0.00 O ATOM 1545 CB HIS A 103 10.596 -2.536 4.178 1.00 0.00 C ATOM 1546 CG HIS A 103 11.204 -2.902 2.859 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.479 -1.948 1.908 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.568 -4.119 2.385 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.999 -2.598 0.883 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.073 -3.914 1.127 1.00 0.00 N ATOM 0 H HIS A 103 11.107 -2.335 6.555 1.00 0.00 H new ATOM 0 HA HIS A 103 12.094 -0.993 4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.760 -3.351 4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.518 -2.432 4.055 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.478 -5.065 2.898 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.323 -2.129 -0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.436 -4.628 0.496 1.00 0.00 H new ATOM 1558 N MET A 104 9.188 0.025 5.410 1.00 0.00 N ATOM 1559 CA MET A 104 8.188 1.080 5.302 1.00 0.00 C ATOM 1560 C MET A 104 8.838 2.460 5.306 1.00 0.00 C ATOM 1561 O MET A 104 8.360 3.381 4.646 1.00 0.00 O ATOM 1562 CB MET A 104 7.192 0.974 6.460 1.00 0.00 C ATOM 1563 CG MET A 104 7.822 1.242 7.815 1.00 0.00 C ATOM 1564 SD MET A 104 6.753 2.186 8.917 1.00 0.00 S ATOM 1565 CE MET A 104 5.173 1.404 8.603 1.00 0.00 C ATOM 0 H MET A 104 9.050 -0.604 6.201 1.00 0.00 H new ATOM 0 HA MET A 104 7.663 0.953 4.355 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.379 1.682 6.298 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.751 -0.023 6.462 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.072 0.292 8.287 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.757 1.784 7.674 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.452 1.725 9.355 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.816 1.689 7.613 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.288 0.321 8.649 1.00 0.00 H new ATOM 1575 N LEU A 105 9.917 2.600 6.069 1.00 0.00 N ATOM 1576 CA LEU A 105 10.627 3.868 6.162 1.00 0.00 C ATOM 1577 C LEU A 105 11.661 3.993 5.058 1.00 0.00 C ATOM 1578 O LEU A 105 12.249 5.056 4.863 1.00 0.00 O ATOM 1579 CB LEU A 105 11.322 3.991 7.518 1.00 0.00 C ATOM 1580 CG LEU A 105 10.461 3.620 8.723 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.296 3.619 9.994 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.291 4.579 8.849 1.00 0.00 C ATOM 0 H LEU A 105 10.318 1.850 6.632 1.00 0.00 H new ATOM 0 HA LEU A 105 9.894 4.668 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.207 3.355 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.667 5.018 7.640 1.00 0.00 H new ATOM 0 HG LEU A 105 10.067 2.615 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.666 3.352 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.103 2.893 9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.718 4.611 10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.685 4.303 9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.665 5.595 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.681 4.529 7.947 1.00 0.00 H new ATOM 1594 N GLU A 106 11.897 2.896 4.350 1.00 0.00 N ATOM 1595 CA GLU A 106 12.913 2.884 3.311 1.00 0.00 C ATOM 1596 C GLU A 106 12.312 2.792 1.908 1.00 0.00 C ATOM 1597 O GLU A 106 13.038 2.867 0.915 1.00 0.00 O ATOM 1598 CB GLU A 106 13.891 1.727 3.553 1.00 0.00 C ATOM 1599 CG GLU A 106 13.533 0.447 2.813 1.00 0.00 C ATOM 1600 CD GLU A 106 14.465 0.165 1.650 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.681 0.007 1.890 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.979 0.101 0.501 1.00 0.00 O ATOM 0 H GLU A 106 11.403 2.012 4.476 1.00 0.00 H new ATOM 0 HA GLU A 106 13.448 3.832 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.890 2.041 3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.932 1.517 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.563 -0.391 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.510 0.519 2.444 1.00 0.00 H new ATOM 1609 N SER A 107 10.992 2.641 1.819 1.00 0.00 N ATOM 1610 CA SER A 107 10.339 2.543 0.515 1.00 0.00 C ATOM 1611 C SER A 107 8.996 3.273 0.502 1.00 0.00 C ATOM 1612 O SER A 107 8.155 3.053 1.375 1.00 0.00 O ATOM 1613 CB SER A 107 10.139 1.077 0.130 1.00 0.00 C ATOM 1614 OG SER A 107 10.199 0.903 -1.275 1.00 0.00 O ATOM 0 H SER A 107 10.362 2.585 2.619 1.00 0.00 H new ATOM 0 HA SER A 107 10.990 3.022 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.904 0.465 0.608 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.175 0.729 0.501 1.00 0.00 H new ATOM 0 HG SER A 107 10.070 -0.044 -1.493 1.00 0.00 H new ATOM 1620 N PRO A 108 8.768 4.138 -0.507 1.00 0.00 N ATOM 1621 CA PRO A 108 7.519 4.905 -0.636 1.00 0.00 C ATOM 1622 C PRO A 108 6.315 4.012 -0.920 1.00 0.00 C ATOM 1623 O PRO A 108 5.214 4.498 -1.175 1.00 0.00 O ATOM 1624 CB PRO A 108 7.779 5.839 -1.826 1.00 0.00 C ATOM 1625 CG PRO A 108 9.257 5.819 -2.029 1.00 0.00 C ATOM 1626 CD PRO A 108 9.712 4.460 -1.588 1.00 0.00 C ATOM 0 HA PRO A 108 7.277 5.431 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.255 5.495 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.424 6.849 -1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.510 5.996 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.742 6.602 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.662 3.733 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.743 4.473 -1.235 1.00 0.00 H new ATOM 1634 N GLU A 109 6.539 2.704 -0.879 1.00 0.00 N ATOM 1635 CA GLU A 109 5.481 1.732 -1.120 1.00 0.00 C ATOM 1636 C GLU A 109 5.479 0.666 -0.036 1.00 0.00 C ATOM 1637 O GLU A 109 4.448 0.062 0.236 1.00 0.00 O ATOM 1638 CB GLU A 109 5.660 1.094 -2.504 1.00 0.00 C ATOM 1639 CG GLU A 109 5.423 -0.410 -2.541 1.00 0.00 C ATOM 1640 CD GLU A 109 5.093 -0.914 -3.931 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.023 -1.032 -4.757 1.00 0.00 O ATOM 1642 OE2 GLU A 109 3.904 -1.190 -4.196 1.00 0.00 O ATOM 0 H GLU A 109 7.450 2.291 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 109 4.520 2.246 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.975 1.574 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.671 1.299 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.312 -0.923 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.607 -0.662 -1.864 1.00 0.00 H new ATOM 1649 N SER A 110 6.623 0.462 0.607 1.00 0.00 N ATOM 1650 CA SER A 110 6.708 -0.521 1.672 1.00 0.00 C ATOM 1651 C SER A 110 5.796 -0.115 2.811 1.00 0.00 C ATOM 1652 O SER A 110 5.048 -0.926 3.338 1.00 0.00 O ATOM 1653 CB SER A 110 8.138 -0.669 2.172 1.00 0.00 C ATOM 1654 OG SER A 110 8.710 -1.881 1.717 1.00 0.00 O ATOM 0 H SER A 110 7.492 0.959 0.411 1.00 0.00 H new ATOM 0 HA SER A 110 6.391 -1.486 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.737 0.173 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.151 -0.643 3.262 1.00 0.00 H new ATOM 0 HG SER A 110 9.639 -1.723 1.446 1.00 0.00 H new ATOM 1660 N LEU A 111 5.812 1.169 3.131 1.00 0.00 N ATOM 1661 CA LEU A 111 4.924 1.718 4.139 1.00 0.00 C ATOM 1662 C LEU A 111 3.498 1.226 3.881 1.00 0.00 C ATOM 1663 O LEU A 111 2.719 1.015 4.809 1.00 0.00 O ATOM 1664 CB LEU A 111 5.014 3.250 4.070 1.00 0.00 C ATOM 1665 CG LEU A 111 4.489 4.052 5.273 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.111 3.582 5.709 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.474 3.992 6.427 1.00 0.00 C ATOM 0 H LEU A 111 6.435 1.853 2.703 1.00 0.00 H new ATOM 0 HA LEU A 111 5.211 1.391 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.060 3.518 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.470 3.578 3.185 1.00 0.00 H new ATOM 0 HG LEU A 111 4.390 5.090 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.777 4.174 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.408 3.703 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.158 2.531 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.084 4.565 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.617 2.955 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.429 4.413 6.112 1.00 0.00 H new ATOM 1679 N ARG A 112 3.201 0.955 2.614 1.00 0.00 N ATOM 1680 CA ARG A 112 1.881 0.482 2.215 1.00 0.00 C ATOM 1681 C ARG A 112 1.826 -1.033 2.106 1.00 0.00 C ATOM 1682 O ARG A 112 1.119 -1.688 2.867 1.00 0.00 O ATOM 1683 CB ARG A 112 1.498 1.114 0.890 1.00 0.00 C ATOM 1684 CG ARG A 112 1.141 2.565 1.059 1.00 0.00 C ATOM 1685 CD ARG A 112 1.329 3.352 -0.229 1.00 0.00 C ATOM 1686 NE ARG A 112 0.947 2.578 -1.406 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.284 2.557 -1.908 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -1.249 3.267 -1.337 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -0.552 1.826 -2.981 1.00 0.00 N ATOM 0 H ARG A 112 3.861 1.056 1.843 1.00 0.00 H new ATOM 0 HA ARG A 112 1.171 0.776 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.326 1.021 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.653 0.577 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.105 2.648 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.759 3.001 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.733 4.264 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.372 3.656 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 112 1.665 2.022 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.047 3.831 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.193 3.249 -1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.187 1.279 -3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.497 1.811 -3.365 1.00 0.00 H new ATOM 1703 N SER A 113 2.553 -1.577 1.140 1.00 0.00 N ATOM 1704 CA SER A 113 2.596 -3.017 0.936 1.00 0.00 C ATOM 1705 C SER A 113 2.765 -3.735 2.269 1.00 0.00 C ATOM 1706 O SER A 113 2.323 -4.870 2.433 1.00 0.00 O ATOM 1707 CB SER A 113 3.743 -3.386 -0.008 1.00 0.00 C ATOM 1708 OG SER A 113 3.710 -4.763 -0.339 1.00 0.00 O ATOM 0 H SER A 113 3.122 -1.041 0.484 1.00 0.00 H new ATOM 0 HA SER A 113 1.655 -3.331 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.676 -2.789 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.696 -3.145 0.462 1.00 0.00 H new ATOM 0 HG SER A 113 4.452 -4.972 -0.944 1.00 0.00 H new ATOM 1714 N LYS A 114 3.440 -3.074 3.205 1.00 0.00 N ATOM 1715 CA LYS A 114 3.628 -3.627 4.541 1.00 0.00 C ATOM 1716 C LYS A 114 2.392 -3.403 5.402 1.00 0.00 C ATOM 1717 O LYS A 114 1.986 -4.291 6.147 1.00 0.00 O ATOM 1718 CB LYS A 114 4.858 -3.027 5.224 1.00 0.00 C ATOM 1719 CG LYS A 114 6.165 -3.312 4.496 1.00 0.00 C ATOM 1720 CD LYS A 114 6.345 -4.795 4.207 1.00 0.00 C ATOM 1721 CE LYS A 114 6.447 -5.060 2.713 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.120 -6.474 2.375 1.00 0.00 N ATOM 0 H LYS A 114 3.864 -2.157 3.063 1.00 0.00 H new ATOM 0 HA LYS A 114 3.787 -4.700 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.726 -1.948 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.925 -3.418 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.187 -2.755 3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.001 -2.956 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.244 -5.158 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.505 -5.353 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.770 -4.393 2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.456 -4.829 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.201 -6.613 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.782 -7.110 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.148 -6.687 2.677 1.00 0.00 H new ATOM 1736 N VAL A 115 1.806 -2.206 5.317 1.00 0.00 N ATOM 1737 CA VAL A 115 0.612 -1.897 6.096 1.00 0.00 C ATOM 1738 C VAL A 115 -0.550 -2.788 5.660 1.00 0.00 C ATOM 1739 O VAL A 115 -1.073 -3.564 6.458 1.00 0.00 O ATOM 1740 CB VAL A 115 0.221 -0.404 5.981 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.289 -0.212 6.047 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.898 0.398 7.080 1.00 0.00 C ATOM 0 H VAL A 115 2.136 -1.445 4.723 1.00 0.00 H new ATOM 0 HA VAL A 115 0.840 -2.096 7.143 1.00 0.00 H new ATOM 0 HB VAL A 115 0.560 -0.045 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.525 0.849 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.761 -0.755 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.663 -0.593 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.617 1.447 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.584 0.020 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.980 0.303 6.986 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.927 -2.690 4.387 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.018 -3.499 3.848 1.00 0.00 C ATOM 1754 C ASP A 116 -1.814 -4.979 4.167 1.00 0.00 C ATOM 1755 O ASP A 116 -2.767 -5.693 4.488 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.126 -3.296 2.334 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.724 -4.497 1.625 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.948 -4.708 1.743 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.966 -5.225 0.949 1.00 0.00 O ATOM 0 H ASP A 116 -0.495 -2.060 3.711 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.946 -3.175 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.739 -2.417 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.135 -3.094 1.927 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.568 -5.436 4.078 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.247 -6.826 4.376 1.00 0.00 C ATOM 1766 C GLU A 117 -0.314 -7.069 5.874 1.00 0.00 C ATOM 1767 O GLU A 117 -0.698 -8.149 6.323 1.00 0.00 O ATOM 1768 CB GLU A 117 1.146 -7.180 3.856 1.00 0.00 C ATOM 1769 CG GLU A 117 1.135 -7.842 2.487 1.00 0.00 C ATOM 1770 CD GLU A 117 2.148 -8.966 2.374 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.213 -8.874 3.020 1.00 0.00 O ATOM 1772 OE2 GLU A 117 1.876 -9.937 1.637 1.00 0.00 O ATOM 0 H GLU A 117 0.232 -4.866 3.803 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.978 -7.462 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.748 -6.272 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.632 -7.846 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.138 -8.235 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.343 -7.092 1.723 1.00 0.00 H new ATOM 1779 N ALA A 118 0.056 -6.052 6.643 1.00 0.00 N ATOM 1780 CA ALA A 118 0.003 -6.142 8.091 1.00 0.00 C ATOM 1781 C ALA A 118 -1.438 -6.233 8.552 1.00 0.00 C ATOM 1782 O ALA A 118 -1.728 -6.813 9.592 1.00 0.00 O ATOM 1783 CB ALA A 118 0.702 -4.961 8.740 1.00 0.00 C ATOM 0 H ALA A 118 0.395 -5.159 6.286 1.00 0.00 H new ATOM 0 HA ALA A 118 0.529 -7.046 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.646 -5.056 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.747 -4.942 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.216 -4.036 8.431 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.346 -5.672 7.756 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.765 -5.755 8.057 1.00 0.00 C ATOM 1791 C VAL A 119 -4.190 -7.205 8.085 1.00 0.00 C ATOM 1792 O VAL A 119 -4.856 -7.655 9.013 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.616 -5.015 7.027 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.061 -4.976 7.492 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.070 -3.619 6.796 1.00 0.00 C ATOM 0 H VAL A 119 -2.122 -5.159 6.903 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.921 -5.285 9.028 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.576 -5.545 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.666 -4.447 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.434 -5.994 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.121 -4.459 8.450 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.687 -3.104 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.084 -3.063 7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.046 -3.685 6.429 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.775 -7.935 7.060 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.050 -9.356 6.979 1.00 0.00 C ATOM 1807 C ALA A 120 -3.496 -10.054 8.215 1.00 0.00 C ATOM 1808 O ALA A 120 -3.995 -11.098 8.641 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.427 -9.924 5.715 1.00 0.00 C ATOM 0 H ALA A 120 -3.245 -7.562 6.272 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.127 -9.522 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.635 -10.992 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.850 -9.423 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.349 -9.765 5.737 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.476 -9.435 8.799 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.828 -9.949 9.995 1.00 0.00 C ATOM 1817 C VAL A 121 -2.552 -9.470 11.253 1.00 0.00 C ATOM 1818 O VAL A 121 -2.580 -10.163 12.270 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.352 -9.499 10.035 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.207 -9.542 11.446 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.486 -10.352 9.095 1.00 0.00 C ATOM 0 H VAL A 121 -2.076 -8.562 8.454 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.870 -11.038 9.965 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.308 -8.463 9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.248 -9.219 11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.372 -8.878 12.087 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.147 -10.560 11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.525 -10.023 9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.425 -11.397 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.110 -10.248 8.077 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.134 -8.279 11.171 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.870 -7.703 12.290 1.00 0.00 C ATOM 1833 C LEU A 122 -5.192 -8.436 12.474 1.00 0.00 C ATOM 1834 O LEU A 122 -5.614 -8.710 13.598 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.101 -6.205 12.055 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.557 -5.732 12.115 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.825 -4.999 13.418 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.875 -4.841 10.926 1.00 0.00 C ATOM 0 H LEU A 122 -3.110 -7.691 10.338 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.284 -7.817 13.202 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.528 -5.649 12.797 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.695 -5.944 11.078 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.206 -6.606 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.864 -4.670 13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.635 -5.668 14.257 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.168 -4.132 13.490 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.913 -4.514 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.219 -3.971 10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.721 -5.399 10.002 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.831 -8.762 11.356 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.088 -9.491 11.377 1.00 0.00 C ATOM 1852 C GLN A 123 -6.874 -10.878 11.967 1.00 0.00 C ATOM 1853 O GLN A 123 -7.693 -11.370 12.744 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.662 -9.592 9.962 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.295 -8.301 9.465 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.617 -8.000 10.144 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.678 -8.399 9.664 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.560 -7.292 11.265 1.00 0.00 N ATOM 0 H GLN A 123 -5.495 -8.530 10.421 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.801 -8.953 12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.866 -9.883 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.409 -10.385 9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.606 -7.474 9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.451 -8.368 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.658 -6.982 11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.418 -7.058 11.765 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.741 -11.481 11.626 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.373 -12.784 12.160 1.00 0.00 C ATOM 1869 C ALA A 124 -5.004 -12.669 13.631 1.00 0.00 C ATOM 1870 O ALA A 124 -5.805 -13.001 14.500 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.214 -13.371 11.367 1.00 0.00 C ATOM 0 H ALA A 124 -5.059 -11.085 10.979 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.230 -13.452 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.949 -14.346 11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.508 -13.484 10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.354 -12.704 11.432 1.00 0.00 H new