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= -0.376 K(o=-0.67,f=-4.6!) USER MOD Set 1.2: A 110 SER OG : rot 146:sc= -0.0204 USER MOD Set 1.3: A 113 SER OG : rot 46:sc= 0.168 USER MOD Set 1.4: A 114 LYS NZ :NH3+ 149:sc= -0.443 (180deg=-2.12!) USER MOD Set 2.1: A 88 LYS NZ :NH3+ -178:sc= -1.06 (180deg=-1.12) USER MOD Set 2.2: A 92 MET CE :methyl -137:sc= -5.67! (180deg=-7.64!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -1.03 USER MOD Set 3.2: A 57 MET CE :methyl -173:sc= -4.79! (180deg=-4.66!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -36:sc= 0.287 USER MOD Single : A 66 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.29) 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 157:sc= -2.72! (180deg=-3.12!) USER MOD Single : A 79 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 81 MET CE :methyl 163:sc= -1.91 (180deg=-2.38) USER MOD Single : A 82 HIS : no HD1:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 90 THR OG1 : rot -90:sc= -3.39! USER MOD Single : A 98 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1.7) USER MOD Single : A 99 SER OG : rot 108:sc= 0.527 USER MOD Single : A 104 MET CE :methyl 160:sc= -6.55! (180deg=-8.08!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 1.051 9.600 3.868 1.00 0.00 N ATOM 766 CA LEU A 53 2.170 9.132 4.681 1.00 0.00 C ATOM 767 C LEU A 53 2.880 7.959 4.012 1.00 0.00 C ATOM 768 O LEU A 53 2.239 7.029 3.522 1.00 0.00 O ATOM 769 CB LEU A 53 1.666 8.696 6.056 1.00 0.00 C ATOM 770 CG LEU A 53 2.181 9.490 7.267 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.488 8.903 7.774 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.348 10.965 6.942 1.00 0.00 C ATOM 0 HA LEU A 53 2.877 9.955 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.577 8.751 6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.932 7.649 6.199 1.00 0.00 H new ATOM 0 HG LEU A 53 1.432 9.410 8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.837 9.478 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.330 7.867 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.236 8.942 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.714 11.493 7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.063 11.079 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.387 11.383 6.642 1.00 0.00 H new ATOM 784 N THR A 54 4.208 8.011 3.997 1.00 0.00 N ATOM 785 CA THR A 54 5.020 6.943 3.424 1.00 0.00 C ATOM 786 C THR A 54 6.487 7.155 3.771 1.00 0.00 C ATOM 787 O THR A 54 6.832 8.099 4.480 1.00 0.00 O ATOM 788 CB THR A 54 4.851 6.862 1.904 1.00 0.00 C ATOM 789 OG1 THR A 54 3.805 7.707 1.459 1.00 0.00 O ATOM 790 CG2 THR A 54 4.551 5.460 1.415 1.00 0.00 C ATOM 0 H THR A 54 4.748 8.788 4.378 1.00 0.00 H new ATOM 0 HA THR A 54 4.678 6.001 3.852 1.00 0.00 H new ATOM 0 HB THR A 54 5.808 7.182 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.720 7.637 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.442 5.468 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.369 4.795 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.626 5.106 1.870 1.00 0.00 H new ATOM 798 N ALA A 55 7.345 6.273 3.270 1.00 0.00 N ATOM 799 CA ALA A 55 8.775 6.357 3.544 1.00 0.00 C ATOM 800 C ALA A 55 9.324 7.746 3.225 1.00 0.00 C ATOM 801 O ALA A 55 10.216 8.242 3.915 1.00 0.00 O ATOM 802 CB ALA A 55 9.528 5.301 2.755 1.00 0.00 C ATOM 0 H ALA A 55 7.075 5.492 2.672 1.00 0.00 H new ATOM 0 HA ALA A 55 8.920 6.175 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.594 5.377 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.170 4.311 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.361 5.456 1.689 1.00 0.00 H new ATOM 808 N SER A 56 8.793 8.366 2.176 1.00 0.00 N ATOM 809 CA SER A 56 9.234 9.695 1.767 1.00 0.00 C ATOM 810 C SER A 56 8.866 10.738 2.818 1.00 0.00 C ATOM 811 O SER A 56 9.696 11.558 3.212 1.00 0.00 O ATOM 812 CB SER A 56 8.614 10.072 0.420 1.00 0.00 C ATOM 813 OG SER A 56 8.717 9.004 -0.506 1.00 0.00 O ATOM 0 H SER A 56 8.056 7.969 1.593 1.00 0.00 H new ATOM 0 HA SER A 56 10.319 9.673 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.566 10.336 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.114 10.954 0.020 1.00 0.00 H new ATOM 0 HG SER A 56 8.312 9.270 -1.358 1.00 0.00 H new ATOM 819 N MET A 57 7.614 10.699 3.267 1.00 0.00 N ATOM 820 CA MET A 57 7.133 11.629 4.282 1.00 0.00 C ATOM 821 C MET A 57 7.972 11.515 5.544 1.00 0.00 C ATOM 822 O MET A 57 8.322 12.514 6.170 1.00 0.00 O ATOM 823 CB MET A 57 5.669 11.332 4.614 1.00 0.00 C ATOM 824 CG MET A 57 4.673 11.861 3.591 1.00 0.00 C ATOM 825 SD MET A 57 5.379 12.057 1.941 1.00 0.00 S ATOM 826 CE MET A 57 5.230 10.387 1.310 1.00 0.00 C ATOM 0 H MET A 57 6.914 10.032 2.943 1.00 0.00 H new ATOM 0 HA MET A 57 7.217 12.642 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.541 10.253 4.704 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.435 11.763 5.588 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.823 11.181 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.290 12.823 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.736 10.315 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.687 9.690 2.013 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.176 10.138 1.186 1.00 0.00 H new ATOM 836 N LEU A 58 8.283 10.280 5.907 1.00 0.00 N ATOM 837 CA LEU A 58 9.085 9.998 7.086 1.00 0.00 C ATOM 838 C LEU A 58 10.483 10.581 6.941 1.00 0.00 C ATOM 839 O LEU A 58 10.999 11.223 7.855 1.00 0.00 O ATOM 840 CB LEU A 58 9.163 8.490 7.287 1.00 0.00 C ATOM 841 CG LEU A 58 7.809 7.785 7.285 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.963 6.335 6.857 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.158 7.888 8.655 1.00 0.00 C ATOM 0 H LEU A 58 7.988 9.449 5.395 1.00 0.00 H new ATOM 0 HA LEU A 58 8.616 10.461 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.784 8.062 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.664 8.287 8.234 1.00 0.00 H new ATOM 0 HG LEU A 58 7.158 8.279 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.988 5.849 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.384 6.295 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.628 5.820 7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.193 7.381 8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.801 7.420 9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.012 8.938 8.910 1.00 0.00 H new ATOM 855 N ALA A 59 11.080 10.362 5.777 1.00 0.00 N ATOM 856 CA ALA A 59 12.410 10.884 5.488 1.00 0.00 C ATOM 857 C ALA A 59 12.382 12.407 5.418 1.00 0.00 C ATOM 858 O ALA A 59 13.425 13.059 5.370 1.00 0.00 O ATOM 859 CB ALA A 59 12.937 10.301 4.186 1.00 0.00 C ATOM 0 H ALA A 59 10.664 9.825 5.016 1.00 0.00 H new ATOM 0 HA ALA A 59 13.080 10.589 6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.931 10.701 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.992 9.216 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.266 10.568 3.370 1.00 0.00 H new ATOM 865 N SER A 60 11.174 12.964 5.410 1.00 0.00 N ATOM 866 CA SER A 60 10.993 14.409 5.355 1.00 0.00 C ATOM 867 C SER A 60 11.111 15.021 6.746 1.00 0.00 C ATOM 868 O SER A 60 11.144 16.242 6.899 1.00 0.00 O ATOM 869 CB SER A 60 9.627 14.749 4.753 1.00 0.00 C ATOM 870 OG SER A 60 9.497 16.143 4.536 1.00 0.00 O ATOM 0 H SER A 60 10.304 12.433 5.441 1.00 0.00 H new ATOM 0 HA SER A 60 11.777 14.827 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.500 14.218 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.837 14.407 5.421 1.00 0.00 H new ATOM 0 HG SER A 60 9.946 16.630 5.258 1.00 0.00 H new ATOM 876 N ALA A 61 11.184 14.161 7.757 1.00 0.00 N ATOM 877 CA ALA A 61 11.301 14.610 9.139 1.00 0.00 C ATOM 878 C ALA A 61 12.394 13.837 9.881 1.00 0.00 C ATOM 879 O ALA A 61 12.132 13.232 10.920 1.00 0.00 O ATOM 880 CB ALA A 61 9.964 14.453 9.851 1.00 0.00 C ATOM 0 H ALA A 61 11.164 13.147 7.644 1.00 0.00 H new ATOM 0 HA ALA A 61 11.582 15.663 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.060 14.791 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.208 15.051 9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.666 13.405 9.838 1.00 0.00 H new ATOM 946 N GLN A 66 10.816 11.238 12.137 1.00 0.00 N ATOM 947 CA GLN A 66 11.396 10.211 11.279 1.00 0.00 C ATOM 948 C GLN A 66 10.969 8.825 11.743 1.00 0.00 C ATOM 949 O GLN A 66 10.476 8.017 10.955 1.00 0.00 O ATOM 950 CB GLN A 66 12.921 10.311 11.274 1.00 0.00 C ATOM 951 CG GLN A 66 13.548 9.890 9.955 1.00 0.00 C ATOM 952 CD GLN A 66 14.755 8.993 10.141 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.713 8.028 10.904 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.839 9.307 9.442 1.00 0.00 N ATOM 0 HA GLN A 66 11.031 10.371 10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.211 11.338 11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.321 9.688 12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.803 9.370 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.844 10.779 9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.829 10.116 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.682 8.739 9.526 1.00 0.00 H new ATOM 963 N LYS A 67 11.145 8.564 13.033 1.00 0.00 N ATOM 964 CA LYS A 67 10.763 7.286 13.616 1.00 0.00 C ATOM 965 C LYS A 67 9.661 7.478 14.654 1.00 0.00 C ATOM 966 O LYS A 67 9.625 6.788 15.673 1.00 0.00 O ATOM 967 CB LYS A 67 11.977 6.608 14.258 1.00 0.00 C ATOM 968 CG LYS A 67 12.654 7.455 15.324 1.00 0.00 C ATOM 969 CD LYS A 67 13.721 6.669 16.066 1.00 0.00 C ATOM 970 CE LYS A 67 15.036 7.429 16.122 1.00 0.00 C ATOM 971 NZ LYS A 67 16.012 6.785 17.044 1.00 0.00 N ATOM 0 H LYS A 67 11.551 9.224 13.696 1.00 0.00 H new ATOM 0 HA LYS A 67 10.383 6.646 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.663 5.663 14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.703 6.369 13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.104 8.333 14.861 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.908 7.815 16.032 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.379 6.456 17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.875 5.709 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.465 7.486 15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.850 8.452 16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.895 7.334 17.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.614 6.753 18.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.210 5.817 16.719 1.00 0.00 H new ATOM 985 N GLN A 68 8.761 8.421 14.384 1.00 0.00 N ATOM 986 CA GLN A 68 7.669 8.721 15.302 1.00 0.00 C ATOM 987 C GLN A 68 6.316 8.663 14.597 1.00 0.00 C ATOM 988 O GLN A 68 5.384 8.020 15.080 1.00 0.00 O ATOM 989 CB GLN A 68 7.872 10.107 15.915 1.00 0.00 C ATOM 990 CG GLN A 68 9.259 10.316 16.503 1.00 0.00 C ATOM 991 CD GLN A 68 9.321 9.998 17.983 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.467 8.841 18.377 1.00 0.00 O ATOM 993 NE2 GLN A 68 9.208 11.029 18.813 1.00 0.00 N ATOM 0 H GLN A 68 8.768 8.989 13.537 1.00 0.00 H new ATOM 0 HA GLN A 68 7.674 7.966 16.088 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.693 10.863 15.150 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.128 10.262 16.697 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.973 9.688 15.970 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.564 11.350 16.345 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.088 11.972 18.442 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.241 10.878 19.821 1.00 0.00 H new ATOM 1002 N MET A 69 6.209 9.350 13.463 1.00 0.00 N ATOM 1003 CA MET A 69 4.957 9.395 12.713 1.00 0.00 C ATOM 1004 C MET A 69 4.767 8.144 11.859 1.00 0.00 C ATOM 1005 O MET A 69 3.735 7.980 11.208 1.00 0.00 O ATOM 1006 CB MET A 69 4.911 10.644 11.829 1.00 0.00 C ATOM 1007 CG MET A 69 5.898 10.619 10.672 1.00 0.00 C ATOM 1008 SD MET A 69 5.302 11.518 9.228 1.00 0.00 S ATOM 1009 CE MET A 69 6.781 12.408 8.748 1.00 0.00 C ATOM 0 H MET A 69 6.972 9.882 13.044 1.00 0.00 H new ATOM 0 HA MET A 69 4.142 9.435 13.436 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.903 10.758 11.431 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.111 11.520 12.445 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.844 11.050 10.998 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.098 9.584 10.393 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.720 12.672 7.692 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.869 13.316 9.345 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.655 11.778 8.915 1.00 0.00 H new ATOM 1019 N LEU A 70 5.762 7.264 11.866 1.00 0.00 N ATOM 1020 CA LEU A 70 5.697 6.030 11.083 1.00 0.00 C ATOM 1021 C LEU A 70 4.527 5.155 11.520 1.00 0.00 C ATOM 1022 O LEU A 70 3.889 4.503 10.694 1.00 0.00 O ATOM 1023 CB LEU A 70 6.999 5.222 11.191 1.00 0.00 C ATOM 1024 CG LEU A 70 7.919 5.553 12.377 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.154 5.580 13.692 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.047 4.538 12.451 1.00 0.00 C ATOM 0 H LEU A 70 6.622 7.379 12.403 1.00 0.00 H new ATOM 0 HA LEU A 70 5.552 6.328 10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.740 4.165 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.565 5.364 10.271 1.00 0.00 H new ATOM 0 HG LEU A 70 8.332 6.549 12.214 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.839 5.817 14.506 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.372 6.338 13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.702 4.604 13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.697 4.777 13.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.630 3.540 12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.625 4.568 11.527 1.00 0.00 H new ATOM 1038 N GLY A 71 4.273 5.110 12.823 1.00 0.00 N ATOM 1039 CA GLY A 71 3.190 4.293 13.330 1.00 0.00 C ATOM 1040 C GLY A 71 2.375 5.002 14.397 1.00 0.00 C ATOM 1041 O GLY A 71 1.803 4.361 15.278 1.00 0.00 O ATOM 0 H GLY A 71 4.796 5.623 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.535 4.011 12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.598 3.370 13.743 1.00 0.00 H new ATOM 1045 N GLU A 72 2.321 6.330 14.314 1.00 0.00 N ATOM 1046 CA GLU A 72 1.567 7.129 15.277 1.00 0.00 C ATOM 1047 C GLU A 72 0.894 8.319 14.595 1.00 0.00 C ATOM 1048 O GLU A 72 0.219 9.120 15.243 1.00 0.00 O ATOM 1049 CB GLU A 72 2.490 7.625 16.394 1.00 0.00 C ATOM 1050 CG GLU A 72 3.048 6.511 17.264 1.00 0.00 C ATOM 1051 CD GLU A 72 2.723 6.697 18.733 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.522 6.757 19.072 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.668 6.782 19.545 1.00 0.00 O ATOM 0 H GLU A 72 2.790 6.875 13.590 1.00 0.00 H new ATOM 0 HA GLU A 72 0.792 6.494 15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.318 8.177 15.950 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.941 8.325 17.023 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.647 5.556 16.926 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.130 6.465 17.138 1.00 0.00 H new ATOM 1060 N ARG A 73 1.092 8.429 13.286 1.00 0.00 N ATOM 1061 CA ARG A 73 0.499 9.502 12.498 1.00 0.00 C ATOM 1062 C ARG A 73 -0.186 8.919 11.272 1.00 0.00 C ATOM 1063 O ARG A 73 -1.092 9.525 10.699 1.00 0.00 O ATOM 1064 CB ARG A 73 1.573 10.503 12.074 1.00 0.00 C ATOM 1065 CG ARG A 73 1.089 11.944 12.043 1.00 0.00 C ATOM 1066 CD ARG A 73 0.396 12.272 10.731 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.993 12.678 10.931 1.00 0.00 N ATOM 1068 CZ ARG A 73 -1.393 13.946 10.974 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.514 14.930 10.832 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -2.675 14.232 11.160 1.00 0.00 N ATOM 0 H ARG A 73 1.664 7.781 12.745 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.240 10.023 13.107 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.418 10.428 12.759 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.940 10.231 11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.402 12.116 12.871 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.935 12.616 12.186 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.938 13.071 10.225 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.428 11.401 10.077 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.696 11.948 11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.473 14.716 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.825 15.901 10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.355 13.479 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.981 15.204 11.193 1.00 0.00 H new ATOM 1084 N LEU A 74 0.251 7.725 10.892 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.315 7.020 9.755 1.00 0.00 C ATOM 1086 C LEU A 74 -1.660 6.419 10.109 1.00 0.00 C ATOM 1087 O LEU A 74 -2.475 6.143 9.234 1.00 0.00 O ATOM 1088 CB LEU A 74 0.623 5.901 9.328 1.00 0.00 C ATOM 1089 CG LEU A 74 1.403 6.168 8.058 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.795 5.579 8.170 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.657 5.611 6.857 1.00 0.00 C ATOM 0 H LEU A 74 1.004 7.222 11.362 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.446 7.735 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.329 5.711 10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.040 4.990 9.193 1.00 0.00 H new ATOM 0 HG LEU A 74 1.504 7.244 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.348 5.776 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.316 6.034 9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.723 4.503 8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.228 5.809 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.527 4.535 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.320 6.088 6.782 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.848 6.171 11.396 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.070 5.552 11.902 1.00 0.00 C ATOM 1105 C PHE A 75 -4.326 6.105 11.210 1.00 0.00 C ATOM 1106 O PHE A 75 -5.101 5.340 10.628 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.156 5.746 13.422 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.741 4.576 14.168 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.667 3.290 13.653 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.337 4.763 15.405 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.192 2.218 14.350 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -4.865 3.695 16.105 1.00 0.00 C ATOM 1113 CZ PHE A 75 -4.795 2.421 15.576 1.00 0.00 C ATOM 0 H PHE A 75 -1.163 6.391 12.119 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.027 4.487 11.675 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.156 5.943 13.808 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.758 6.631 13.629 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.194 3.125 12.696 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.389 5.756 15.827 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.131 1.222 13.936 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.332 3.856 17.065 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.211 1.586 16.120 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.545 7.437 11.236 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.715 8.045 10.596 1.00 0.00 C ATOM 1125 C PRO A 76 -5.621 8.015 9.075 1.00 0.00 C ATOM 1126 O PRO A 76 -6.616 8.211 8.377 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.695 9.486 11.105 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.264 9.757 11.413 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.687 8.451 11.886 1.00 0.00 C ATOM 0 HA PRO A 76 -6.634 7.510 10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.076 10.177 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.320 9.602 11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.737 10.120 10.531 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.169 10.526 12.180 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.644 8.343 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.720 8.368 12.972 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.419 7.760 8.566 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.192 7.720 7.128 1.00 0.00 C ATOM 1139 C LEU A 77 -4.351 6.306 6.575 1.00 0.00 C ATOM 1140 O LEU A 77 -4.577 6.126 5.379 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.805 8.269 6.796 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.635 9.770 7.046 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.219 10.210 6.721 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.641 10.566 6.228 1.00 0.00 C ATOM 0 H LEU A 77 -3.588 7.578 9.129 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.946 8.348 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.065 7.730 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.588 8.062 5.748 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.820 9.963 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.119 11.280 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.515 9.666 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.004 10.001 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.504 11.630 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.488 10.365 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.652 10.273 6.510 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.239 5.299 7.442 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.435 3.919 7.013 1.00 0.00 C ATOM 1158 C ILE A 78 -5.912 3.670 6.764 1.00 0.00 C ATOM 1159 O ILE A 78 -6.284 2.964 5.830 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.938 2.896 8.042 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.518 3.236 8.508 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.998 1.491 7.455 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.441 2.892 7.504 1.00 0.00 C ATOM 0 H ILE A 78 -4.017 5.412 8.431 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.850 3.788 6.102 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.591 2.934 8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.465 4.302 8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.315 2.706 9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.643 0.773 8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.027 1.254 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.367 1.440 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.466 3.163 7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.464 1.822 7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.616 3.443 6.580 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.751 4.295 7.593 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.201 4.201 7.437 1.00 0.00 C ATOM 1177 C GLN A 79 -8.600 4.573 6.013 1.00 0.00 C ATOM 1178 O GLN A 79 -9.731 4.353 5.583 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.895 5.132 8.429 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.524 4.408 9.607 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.855 5.341 10.756 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.307 5.214 11.850 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.757 6.284 10.512 1.00 0.00 N ATOM 0 H GLN A 79 -6.449 4.871 8.379 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.510 3.175 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.170 5.855 8.803 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.667 5.696 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.434 3.907 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.843 3.633 9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.186 6.353 9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.021 6.940 11.247 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.646 5.153 5.302 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.827 5.552 3.912 1.00 0.00 C ATOM 1194 C ALA A 80 -7.575 4.377 2.971 1.00 0.00 C ATOM 1195 O ALA A 80 -8.314 4.172 2.008 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.884 6.695 3.566 1.00 0.00 C ATOM 0 H ALA A 80 -6.719 5.362 5.673 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.858 5.884 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.029 6.984 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.094 7.548 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.853 6.373 3.713 1.00 0.00 H new ATOM 1202 N MET A 81 -6.502 3.634 3.235 1.00 0.00 N ATOM 1203 CA MET A 81 -6.154 2.476 2.415 1.00 0.00 C ATOM 1204 C MET A 81 -7.151 1.355 2.643 1.00 0.00 C ATOM 1205 O MET A 81 -7.483 0.594 1.734 1.00 0.00 O ATOM 1206 CB MET A 81 -4.748 1.974 2.764 1.00 0.00 C ATOM 1207 CG MET A 81 -3.766 3.076 3.116 1.00 0.00 C ATOM 1208 SD MET A 81 -2.726 2.647 4.518 1.00 0.00 S ATOM 1209 CE MET A 81 -1.235 2.128 3.679 1.00 0.00 C ATOM 0 H MET A 81 -5.861 3.812 4.008 1.00 0.00 H new ATOM 0 HA MET A 81 -6.178 2.781 1.369 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.819 1.283 3.604 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.356 1.409 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.136 3.287 2.252 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.316 3.990 3.341 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.404 2.120 4.385 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.376 1.126 3.273 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.014 2.821 2.867 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.598 1.255 3.883 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.523 0.218 4.301 1.00 0.00 C ATOM 1221 C HIS A 82 -9.808 0.847 4.820 1.00 0.00 C ATOM 1222 O HIS A 82 -9.758 1.887 5.474 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.851 -0.617 5.394 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.418 -0.899 5.107 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.477 -0.845 6.092 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.821 -1.235 3.939 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.332 -1.127 5.512 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.492 -1.386 4.209 1.00 0.00 N ATOM 0 H HIS A 82 -7.328 1.894 4.631 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.778 -0.423 3.457 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.929 -0.092 6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.387 -1.560 5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.303 -1.359 2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.381 -1.147 6.023 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.762 -1.646 3.546 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.981 0.262 4.498 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.272 0.784 4.936 1.00 0.00 C ATOM 1238 C PRO A 83 -12.182 1.485 6.286 1.00 0.00 C ATOM 1239 O PRO A 83 -12.628 2.622 6.436 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.116 -0.482 5.027 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.590 -1.362 3.938 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.140 -0.981 3.721 1.00 0.00 C ATOM 0 HA PRO A 83 -12.677 1.541 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.016 -0.956 6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.175 -0.264 4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.675 -2.412 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.165 -1.227 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.465 -1.761 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.922 -0.823 2.665 1.00 0.00 H new ATOM 1250 N THR A 84 -11.550 0.809 7.242 1.00 0.00 N ATOM 1251 CA THR A 84 -11.328 1.356 8.578 1.00 0.00 C ATOM 1252 C THR A 84 -10.655 0.310 9.462 1.00 0.00 C ATOM 1253 O THR A 84 -10.627 0.439 10.687 1.00 0.00 O ATOM 1254 CB THR A 84 -12.646 1.798 9.227 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.759 1.262 8.532 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.817 3.300 9.283 1.00 0.00 C ATOM 0 H THR A 84 -11.178 -0.132 7.113 1.00 0.00 H new ATOM 0 HA THR A 84 -10.683 2.229 8.479 1.00 0.00 H new ATOM 0 HB THR A 84 -12.600 1.418 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.588 1.556 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.770 3.540 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.005 3.737 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.799 3.706 8.272 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.123 -0.733 8.828 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.463 -1.823 9.542 1.00 0.00 C ATOM 1266 C LEU A 85 -8.177 -1.351 10.214 1.00 0.00 C ATOM 1267 O LEU A 85 -7.445 -2.149 10.799 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.151 -2.968 8.578 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.028 -4.212 8.739 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.453 -3.923 8.297 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.449 -5.378 7.952 1.00 0.00 C ATOM 0 H LEU A 85 -10.137 -0.846 7.814 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.143 -2.174 10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.254 -2.600 7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.109 -3.258 8.709 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.046 -4.485 9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.061 -4.820 8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.867 -3.119 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.455 -3.623 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.085 -6.254 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.399 -5.115 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.447 -5.602 8.318 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.906 -0.053 10.121 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.712 0.528 10.721 1.00 0.00 C ATOM 1285 C ALA A 86 -6.886 0.720 12.221 1.00 0.00 C ATOM 1286 O ALA A 86 -6.590 1.787 12.758 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.387 1.854 10.054 1.00 0.00 C ATOM 0 H ALA A 86 -8.500 0.618 9.634 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.883 -0.163 10.566 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.493 2.281 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.211 1.693 8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.223 2.541 10.183 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.377 -0.314 12.891 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.536 -0.254 14.328 1.00 0.00 C ATOM 1295 C GLY A 87 -6.264 -0.669 15.034 1.00 0.00 C ATOM 1296 O GLY A 87 -6.150 -0.548 16.254 1.00 0.00 O ATOM 0 H GLY A 87 -7.668 -1.193 12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.807 0.759 14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.355 -0.905 14.634 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.302 -1.151 14.250 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.022 -1.594 14.784 1.00 0.00 C ATOM 1302 C LYS A 88 -3.058 -1.969 13.656 1.00 0.00 C ATOM 1303 O LYS A 88 -2.191 -2.819 13.828 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.229 -2.792 15.719 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.951 -3.288 16.382 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.933 -4.803 16.482 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.154 -5.426 15.334 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.249 -6.912 15.337 1.00 0.00 N ATOM 0 H LYS A 88 -5.388 -1.244 13.238 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.584 -0.771 15.348 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.944 -2.516 16.494 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.673 -3.610 15.152 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.087 -2.949 15.810 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.864 -2.855 17.378 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.487 -5.101 17.431 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.955 -5.182 16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.533 -5.040 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.107 -5.129 15.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.677 -7.298 14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.895 -7.281 16.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.241 -7.197 15.211 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.212 -1.351 12.492 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.318 -1.648 11.381 1.00 0.00 C ATOM 1324 C ILE A 89 -0.997 -0.900 11.535 1.00 0.00 C ATOM 1325 O ILE A 89 -0.036 -1.457 12.045 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.952 -1.326 10.013 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.206 -2.183 9.805 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.946 -1.573 8.896 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.165 -1.632 8.772 1.00 0.00 C ATOM 0 H ILE A 89 -3.931 -0.655 12.295 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.129 -2.721 11.409 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.239 -0.275 9.992 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.902 -3.186 9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.729 -2.280 10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.405 -1.342 7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.074 -0.936 9.044 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.637 -2.618 8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.025 -2.295 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.501 -0.641 9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.661 -1.562 7.808 1.00 0.00 H new ATOM 1341 N THR A 90 -0.955 0.357 11.102 1.00 0.00 N ATOM 1342 CA THR A 90 0.263 1.162 11.213 1.00 0.00 C ATOM 1343 C THR A 90 0.807 1.122 12.638 1.00 0.00 C ATOM 1344 O THR A 90 2.017 1.014 12.842 1.00 0.00 O ATOM 1345 CB THR A 90 -0.024 2.598 10.771 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.672 2.889 9.572 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.354 3.660 11.783 1.00 0.00 C ATOM 0 H THR A 90 -1.744 0.840 10.673 1.00 0.00 H new ATOM 0 HA THR A 90 1.027 0.744 10.557 1.00 0.00 H new ATOM 0 HB THR A 90 -1.106 2.636 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.556 3.254 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.115 4.645 11.383 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.203 3.498 12.706 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.423 3.602 11.989 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.089 1.193 13.620 1.00 0.00 N ATOM 1356 CA GLY A 91 0.337 1.093 15.003 1.00 0.00 C ATOM 1357 C GLY A 91 1.124 -0.180 15.223 1.00 0.00 C ATOM 1358 O GLY A 91 2.064 -0.222 16.018 1.00 0.00 O ATOM 0 H GLY A 91 -1.092 1.317 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.949 1.956 15.265 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.533 1.108 15.660 1.00 0.00 H new ATOM 1362 N MET A 92 0.758 -1.204 14.462 1.00 0.00 N ATOM 1363 CA MET A 92 1.450 -2.484 14.494 1.00 0.00 C ATOM 1364 C MET A 92 2.788 -2.374 13.797 1.00 0.00 C ATOM 1365 O MET A 92 3.776 -2.967 14.216 1.00 0.00 O ATOM 1366 CB MET A 92 0.630 -3.554 13.778 1.00 0.00 C ATOM 1367 CG MET A 92 0.924 -4.953 14.269 1.00 0.00 C ATOM 1368 SD MET A 92 0.824 -6.202 12.974 1.00 0.00 S ATOM 1369 CE MET A 92 -0.677 -5.706 12.142 1.00 0.00 C ATOM 0 H MET A 92 -0.024 -1.170 13.808 1.00 0.00 H new ATOM 0 HA MET A 92 1.591 -2.760 15.539 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.431 -3.343 13.915 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.830 -3.501 12.708 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.922 -4.974 14.707 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.222 -5.207 15.063 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.277 -6.588 11.917 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.246 -5.036 12.786 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.426 -5.191 11.215 1.00 0.00 H new ATOM 1379 N LEU A 93 2.786 -1.632 12.702 1.00 0.00 N ATOM 1380 CA LEU A 93 3.969 -1.448 11.875 1.00 0.00 C ATOM 1381 C LEU A 93 5.154 -0.943 12.686 1.00 0.00 C ATOM 1382 O LEU A 93 6.283 -0.917 12.201 1.00 0.00 O ATOM 1383 CB LEU A 93 3.650 -0.484 10.743 1.00 0.00 C ATOM 1384 CG LEU A 93 2.984 -1.130 9.527 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.940 -2.104 8.857 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.702 -1.836 9.938 1.00 0.00 C ATOM 0 H LEU A 93 1.962 -1.138 12.360 1.00 0.00 H new ATOM 0 HA LEU A 93 4.251 -2.417 11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.997 0.301 11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.574 -0.002 10.422 1.00 0.00 H new ATOM 0 HG LEU A 93 2.731 -0.348 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.453 -2.556 7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.834 -1.571 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.220 -2.884 9.565 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.240 -2.291 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.932 -2.610 10.670 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.014 -1.114 10.378 1.00 0.00 H new ATOM 1398 N LEU A 94 4.890 -0.544 13.919 1.00 0.00 N ATOM 1399 CA LEU A 94 5.942 -0.108 14.814 1.00 0.00 C ATOM 1400 C LEU A 94 6.201 -1.196 15.843 1.00 0.00 C ATOM 1401 O LEU A 94 6.594 -0.921 16.978 1.00 0.00 O ATOM 1402 CB LEU A 94 5.544 1.198 15.498 1.00 0.00 C ATOM 1403 CG LEU A 94 6.167 2.463 14.897 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.622 2.590 15.323 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.050 2.455 13.376 1.00 0.00 C ATOM 0 H LEU A 94 3.953 -0.514 14.321 1.00 0.00 H new ATOM 0 HA LEU A 94 6.855 0.073 14.247 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.459 1.293 15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.823 1.139 16.550 1.00 0.00 H new ATOM 0 HG LEU A 94 5.619 3.327 15.273 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.051 3.493 14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.679 2.648 16.410 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.180 1.720 14.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.499 3.362 12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.569 1.584 12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.998 2.413 13.092 1.00 0.00 H new ATOM 1417 N GLU A 95 5.943 -2.436 15.434 1.00 0.00 N ATOM 1418 CA GLU A 95 6.105 -3.586 16.314 1.00 0.00 C ATOM 1419 C GLU A 95 5.950 -4.910 15.563 1.00 0.00 C ATOM 1420 O GLU A 95 6.069 -5.977 16.163 1.00 0.00 O ATOM 1421 CB GLU A 95 5.084 -3.520 17.455 1.00 0.00 C ATOM 1422 CG GLU A 95 3.672 -3.915 17.041 1.00 0.00 C ATOM 1423 CD GLU A 95 2.788 -4.246 18.227 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.181 -5.111 19.037 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.702 -3.640 18.345 1.00 0.00 O ATOM 0 H GLU A 95 5.620 -2.668 14.495 1.00 0.00 H new ATOM 0 HA GLU A 95 7.117 -3.548 16.717 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.412 -4.175 18.262 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.065 -2.506 17.855 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.222 -3.100 16.474 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.720 -4.778 16.376 1.00 0.00 H new ATOM 1432 N ILE A 96 5.688 -4.848 14.254 1.00 0.00 N ATOM 1433 CA ILE A 96 5.511 -6.072 13.467 1.00 0.00 C ATOM 1434 C ILE A 96 6.790 -6.907 13.424 1.00 0.00 C ATOM 1435 O ILE A 96 7.625 -6.852 14.328 1.00 0.00 O ATOM 1436 CB ILE A 96 5.101 -5.793 12.003 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.256 -5.161 11.231 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.854 -4.933 11.914 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.564 -3.745 11.631 1.00 0.00 C ATOM 0 H ILE A 96 5.595 -3.981 13.725 1.00 0.00 H new ATOM 0 HA ILE A 96 4.712 -6.613 13.973 1.00 0.00 H new ATOM 0 HB ILE A 96 4.861 -6.752 11.544 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.149 -5.769 11.374 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.022 -5.183 10.167 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.603 -4.763 10.867 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.026 -5.441 12.407 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.036 -3.976 12.404 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.397 -3.371 11.035 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.687 -3.120 11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.832 -3.715 12.687 1.00 0.00 H new ATOM 1451 N ASP A 97 6.945 -7.647 12.326 1.00 0.00 N ATOM 1452 CA ASP A 97 8.124 -8.455 12.074 1.00 0.00 C ATOM 1453 C ASP A 97 9.394 -7.613 12.139 1.00 0.00 C ATOM 1454 O ASP A 97 10.504 -8.145 12.087 1.00 0.00 O ATOM 1455 CB ASP A 97 7.996 -9.081 10.687 1.00 0.00 C ATOM 1456 CG ASP A 97 8.822 -10.344 10.537 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.496 -11.348 11.206 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.794 -10.329 9.754 1.00 0.00 O ATOM 0 H ASP A 97 6.247 -7.699 11.584 1.00 0.00 H new ATOM 0 HA ASP A 97 8.194 -9.228 12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.949 -9.311 10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.308 -8.356 9.935 1.00 0.00 H new ATOM 1463 N ASN A 98 9.208 -6.296 12.213 1.00 0.00 N ATOM 1464 CA ASN A 98 10.306 -5.337 12.271 1.00 0.00 C ATOM 1465 C ASN A 98 10.895 -5.093 10.887 1.00 0.00 C ATOM 1466 O ASN A 98 11.471 -4.036 10.627 1.00 0.00 O ATOM 1467 CB ASN A 98 11.398 -5.789 13.244 1.00 0.00 C ATOM 1468 CG ASN A 98 10.892 -5.909 14.668 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.270 -6.905 15.037 1.00 0.00 O ATOM 1470 ND2 ASN A 98 11.158 -4.891 15.478 1.00 0.00 N ATOM 0 H ASN A 98 8.285 -5.863 12.234 1.00 0.00 H new ATOM 0 HA ASN A 98 9.894 -4.398 12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.793 -6.752 12.920 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.224 -5.079 13.214 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.843 -4.915 16.448 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.677 -4.085 15.130 1.00 0.00 H new ATOM 1477 N SER A 99 10.734 -6.064 9.995 1.00 0.00 N ATOM 1478 CA SER A 99 11.206 -5.914 8.625 1.00 0.00 C ATOM 1479 C SER A 99 10.280 -4.972 7.872 1.00 0.00 C ATOM 1480 O SER A 99 10.701 -4.259 6.962 1.00 0.00 O ATOM 1481 CB SER A 99 11.273 -7.267 7.918 1.00 0.00 C ATOM 1482 OG SER A 99 11.706 -8.286 8.802 1.00 0.00 O ATOM 0 H SER A 99 10.283 -6.957 10.194 1.00 0.00 H new ATOM 0 HA SER A 99 12.213 -5.496 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.291 -7.521 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.955 -7.204 7.070 1.00 0.00 H new ATOM 0 HG SER A 99 10.952 -8.874 9.018 1.00 0.00 H new ATOM 1488 N GLU A 100 9.016 -4.960 8.284 1.00 0.00 N ATOM 1489 CA GLU A 100 8.028 -4.061 7.710 1.00 0.00 C ATOM 1490 C GLU A 100 8.265 -2.652 8.222 1.00 0.00 C ATOM 1491 O GLU A 100 8.144 -1.682 7.480 1.00 0.00 O ATOM 1492 CB GLU A 100 6.621 -4.514 8.075 1.00 0.00 C ATOM 1493 CG GLU A 100 6.241 -5.865 7.506 1.00 0.00 C ATOM 1494 CD GLU A 100 6.736 -7.021 8.349 1.00 0.00 C ATOM 1495 OE1 GLU A 100 7.893 -7.448 8.151 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.962 -7.506 9.200 1.00 0.00 O ATOM 0 H GLU A 100 8.653 -5.568 9.018 1.00 0.00 H new ATOM 0 HA GLU A 100 8.127 -4.075 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.533 -4.551 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.908 -3.769 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.156 -5.924 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.647 -5.957 6.499 1.00 0.00 H new ATOM 1503 N LEU A 101 8.627 -2.558 9.497 1.00 0.00 N ATOM 1504 CA LEU A 101 8.930 -1.278 10.117 1.00 0.00 C ATOM 1505 C LEU A 101 10.156 -0.658 9.459 1.00 0.00 C ATOM 1506 O LEU A 101 10.342 0.555 9.479 1.00 0.00 O ATOM 1507 CB LEU A 101 9.176 -1.468 11.620 1.00 0.00 C ATOM 1508 CG LEU A 101 10.052 -0.402 12.288 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.187 0.655 12.954 1.00 0.00 C ATOM 1510 CD2 LEU A 101 10.991 -1.042 13.298 1.00 0.00 C ATOM 0 H LEU A 101 8.717 -3.359 10.122 1.00 0.00 H new ATOM 0 HA LEU A 101 8.081 -0.608 9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.212 -1.490 12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.640 -2.442 11.774 1.00 0.00 H new ATOM 0 HG LEU A 101 10.655 0.083 11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.825 1.404 13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.556 1.133 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.559 0.187 13.712 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.606 -0.271 13.763 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.408 -1.552 14.065 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.634 -1.762 12.792 1.00 0.00 H new ATOM 1522 N LEU A 102 10.982 -1.513 8.869 1.00 0.00 N ATOM 1523 CA LEU A 102 12.199 -1.075 8.203 1.00 0.00 C ATOM 1524 C LEU A 102 11.929 -0.702 6.753 1.00 0.00 C ATOM 1525 O LEU A 102 12.368 0.344 6.275 1.00 0.00 O ATOM 1526 CB LEU A 102 13.242 -2.196 8.248 1.00 0.00 C ATOM 1527 CG LEU A 102 14.034 -2.343 9.560 1.00 0.00 C ATOM 1528 CD1 LEU A 102 15.519 -2.485 9.265 1.00 0.00 C ATOM 1529 CD2 LEU A 102 13.786 -1.175 10.508 1.00 0.00 C ATOM 0 H LEU A 102 10.828 -2.521 8.839 1.00 0.00 H new ATOM 0 HA LEU A 102 12.572 -0.193 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.737 -3.141 8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.952 -2.035 7.437 1.00 0.00 H new ATOM 0 HG LEU A 102 13.682 -3.246 10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.068 -2.588 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.685 -3.368 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.871 -1.600 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.364 -1.319 11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.091 -0.245 10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.725 -1.125 10.754 1.00 0.00 H new ATOM 1541 N HIS A 103 11.232 -1.585 6.051 1.00 0.00 N ATOM 1542 CA HIS A 103 10.928 -1.384 4.646 1.00 0.00 C ATOM 1543 C HIS A 103 10.012 -0.179 4.443 1.00 0.00 C ATOM 1544 O HIS A 103 10.204 0.605 3.515 1.00 0.00 O ATOM 1545 CB HIS A 103 10.277 -2.649 4.087 1.00 0.00 C ATOM 1546 CG HIS A 103 10.864 -3.106 2.788 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.474 -2.226 1.926 1.00 0.00 N ATOM 1548 CD2 HIS A 103 10.905 -4.352 2.252 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.872 -2.948 0.894 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.549 -4.240 1.048 1.00 0.00 N ATOM 0 H HIS A 103 10.865 -2.454 6.438 1.00 0.00 H new ATOM 0 HA HIS A 103 11.857 -1.183 4.112 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.372 -3.450 4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.211 -2.468 3.950 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.507 -5.256 2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.391 -2.548 0.036 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.746 -4.997 0.393 1.00 0.00 H new ATOM 1558 N MET A 104 9.020 -0.041 5.317 1.00 0.00 N ATOM 1559 CA MET A 104 8.063 1.057 5.232 1.00 0.00 C ATOM 1560 C MET A 104 8.765 2.411 5.248 1.00 0.00 C ATOM 1561 O MET A 104 8.300 3.364 4.625 1.00 0.00 O ATOM 1562 CB MET A 104 7.077 0.978 6.399 1.00 0.00 C ATOM 1563 CG MET A 104 7.738 1.192 7.744 1.00 0.00 C ATOM 1564 SD MET A 104 6.717 2.150 8.881 1.00 0.00 S ATOM 1565 CE MET A 104 5.107 1.439 8.558 1.00 0.00 C ATOM 0 H MET A 104 8.857 -0.679 6.096 1.00 0.00 H new ATOM 0 HA MET A 104 7.527 0.962 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.297 1.726 6.260 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.589 0.003 6.391 1.00 0.00 H new ATOM 0 HG2 MET A 104 7.962 0.224 8.192 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.690 1.703 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.442 1.649 9.396 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.693 1.874 7.648 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.204 0.361 8.433 1.00 0.00 H new ATOM 1575 N LEU A 105 9.867 2.500 5.990 1.00 0.00 N ATOM 1576 CA LEU A 105 10.621 3.745 6.086 1.00 0.00 C ATOM 1577 C LEU A 105 11.629 3.854 4.954 1.00 0.00 C ATOM 1578 O LEU A 105 12.233 4.907 4.749 1.00 0.00 O ATOM 1579 CB LEU A 105 11.361 3.830 7.424 1.00 0.00 C ATOM 1580 CG LEU A 105 10.576 3.346 8.641 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.470 3.315 9.871 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.368 4.231 8.882 1.00 0.00 C ATOM 0 H LEU A 105 10.255 1.727 6.531 1.00 0.00 H new ATOM 0 HA LEU A 105 9.909 4.567 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.279 3.246 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.655 4.866 7.592 1.00 0.00 H new ATOM 0 HG LEU A 105 10.224 2.333 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.895 2.968 10.730 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.306 2.638 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.850 4.317 10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.821 3.871 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.697 5.255 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.717 4.204 8.008 1.00 0.00 H new ATOM 1594 N GLU A 106 11.825 2.756 4.236 1.00 0.00 N ATOM 1595 CA GLU A 106 12.819 2.725 3.174 1.00 0.00 C ATOM 1596 C GLU A 106 12.193 2.703 1.779 1.00 0.00 C ATOM 1597 O GLU A 106 12.903 2.826 0.780 1.00 0.00 O ATOM 1598 CB GLU A 106 13.739 1.511 3.360 1.00 0.00 C ATOM 1599 CG GLU A 106 13.309 0.279 2.579 1.00 0.00 C ATOM 1600 CD GLU A 106 14.136 0.064 1.326 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.368 -0.101 1.448 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.550 0.058 0.222 1.00 0.00 O ATOM 0 H GLU A 106 11.314 1.883 4.368 1.00 0.00 H new ATOM 0 HA GLU A 106 13.398 3.646 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.750 1.785 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.781 1.260 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.391 -0.599 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.259 0.376 2.304 1.00 0.00 H new ATOM 1609 N SER A 107 10.872 2.550 1.699 1.00 0.00 N ATOM 1610 CA SER A 107 10.208 2.491 0.400 1.00 0.00 C ATOM 1611 C SER A 107 8.861 3.213 0.412 1.00 0.00 C ATOM 1612 O SER A 107 8.063 3.042 1.334 1.00 0.00 O ATOM 1613 CB SER A 107 10.011 1.036 -0.017 1.00 0.00 C ATOM 1614 OG SER A 107 10.169 0.877 -1.415 1.00 0.00 O ATOM 0 H SER A 107 10.250 2.466 2.503 1.00 0.00 H new ATOM 0 HA SER A 107 10.849 2.999 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.729 0.405 0.507 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.017 0.702 0.279 1.00 0.00 H new ATOM 0 HG SER A 107 10.039 -0.065 -1.654 1.00 0.00 H new ATOM 1620 N PRO A 108 8.578 4.016 -0.636 1.00 0.00 N ATOM 1621 CA PRO A 108 7.310 4.746 -0.756 1.00 0.00 C ATOM 1622 C PRO A 108 6.147 3.816 -1.081 1.00 0.00 C ATOM 1623 O PRO A 108 5.007 4.256 -1.241 1.00 0.00 O ATOM 1624 CB PRO A 108 7.566 5.708 -1.917 1.00 0.00 C ATOM 1625 CG PRO A 108 8.589 5.021 -2.751 1.00 0.00 C ATOM 1626 CD PRO A 108 9.466 4.266 -1.789 1.00 0.00 C ATOM 0 HA PRO A 108 7.031 5.245 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.654 5.898 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.927 6.673 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.120 4.344 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.170 5.741 -3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.831 3.335 -2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.342 4.848 -1.502 1.00 0.00 H new ATOM 1634 N GLU A 109 6.449 2.529 -1.191 1.00 0.00 N ATOM 1635 CA GLU A 109 5.439 1.522 -1.486 1.00 0.00 C ATOM 1636 C GLU A 109 5.438 0.446 -0.414 1.00 0.00 C ATOM 1637 O GLU A 109 4.540 -0.392 -0.366 1.00 0.00 O ATOM 1638 CB GLU A 109 5.706 0.892 -2.851 1.00 0.00 C ATOM 1639 CG GLU A 109 5.704 1.891 -3.995 1.00 0.00 C ATOM 1640 CD GLU A 109 6.368 1.349 -5.245 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.432 0.706 -5.122 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.825 1.569 -6.348 1.00 0.00 O ATOM 0 H GLU A 109 7.392 2.156 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 109 4.462 2.006 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.670 0.385 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.950 0.130 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.676 2.170 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.218 2.799 -3.680 1.00 0.00 H new ATOM 1649 N SER A 110 6.455 0.469 0.441 1.00 0.00 N ATOM 1650 CA SER A 110 6.542 -0.484 1.536 1.00 0.00 C ATOM 1651 C SER A 110 5.626 -0.056 2.659 1.00 0.00 C ATOM 1652 O SER A 110 4.841 -0.847 3.173 1.00 0.00 O ATOM 1653 CB SER A 110 7.973 -0.599 2.044 1.00 0.00 C ATOM 1654 OG SER A 110 8.589 -1.777 1.557 1.00 0.00 O ATOM 0 H SER A 110 7.226 1.135 0.396 1.00 0.00 H new ATOM 0 HA SER A 110 6.232 -1.462 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.546 0.273 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.977 -0.606 3.134 1.00 0.00 H new ATOM 0 HG SER A 110 9.542 -1.608 1.401 1.00 0.00 H new ATOM 1660 N LEU A 111 5.697 1.216 3.001 1.00 0.00 N ATOM 1661 CA LEU A 111 4.822 1.779 4.006 1.00 0.00 C ATOM 1662 C LEU A 111 3.384 1.346 3.719 1.00 0.00 C ATOM 1663 O LEU A 111 2.649 0.955 4.624 1.00 0.00 O ATOM 1664 CB LEU A 111 4.963 3.305 3.972 1.00 0.00 C ATOM 1665 CG LEU A 111 4.437 4.084 5.184 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.052 3.608 5.599 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.412 3.987 6.342 1.00 0.00 C ATOM 0 H LEU A 111 6.356 1.880 2.594 1.00 0.00 H new ATOM 0 HA LEU A 111 5.090 1.424 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.019 3.544 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.448 3.672 3.085 1.00 0.00 H new ATOM 0 HG LEU A 111 4.347 5.131 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.713 4.183 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.356 3.749 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.094 2.551 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.023 4.545 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.541 2.942 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.374 4.404 6.044 1.00 0.00 H new ATOM 1679 N ARG A 112 3.026 1.330 2.441 1.00 0.00 N ATOM 1680 CA ARG A 112 1.690 0.922 2.026 1.00 0.00 C ATOM 1681 C ARG A 112 1.560 -0.601 1.994 1.00 0.00 C ATOM 1682 O ARG A 112 0.709 -1.171 2.675 1.00 0.00 O ATOM 1683 CB ARG A 112 1.362 1.519 0.653 1.00 0.00 C ATOM 1684 CG ARG A 112 0.607 0.578 -0.272 1.00 0.00 C ATOM 1685 CD ARG A 112 0.150 1.286 -1.536 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.186 0.344 -2.601 1.00 0.00 N ATOM 1687 CZ ARG A 112 0.679 -0.063 -3.526 1.00 0.00 C ATOM 1688 NH1 ARG A 112 1.927 0.386 -3.518 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.294 -0.921 -4.462 1.00 0.00 N ATOM 0 H ARG A 112 3.643 1.595 1.673 1.00 0.00 H new ATOM 0 HA ARG A 112 0.975 1.300 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.770 2.423 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.291 1.819 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.246 -0.264 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.258 0.170 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.719 1.904 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.937 1.957 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.137 -0.022 -2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.227 1.046 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.587 0.071 -4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.665 -1.268 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.957 -1.233 -5.171 1.00 0.00 H new ATOM 1703 N SER A 113 2.395 -1.250 1.186 1.00 0.00 N ATOM 1704 CA SER A 113 2.361 -2.703 1.049 1.00 0.00 C ATOM 1705 C SER A 113 2.442 -3.381 2.410 1.00 0.00 C ATOM 1706 O SER A 113 1.561 -4.157 2.781 1.00 0.00 O ATOM 1707 CB SER A 113 3.510 -3.181 0.160 1.00 0.00 C ATOM 1708 OG SER A 113 3.811 -4.544 0.400 1.00 0.00 O ATOM 0 H SER A 113 3.105 -0.791 0.615 1.00 0.00 H new ATOM 0 HA SER A 113 1.413 -2.975 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.244 -3.044 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.395 -2.572 0.346 1.00 0.00 H new ATOM 0 HG SER A 113 2.979 -5.061 0.435 1.00 0.00 H new ATOM 1714 N LYS A 114 3.498 -3.074 3.154 1.00 0.00 N ATOM 1715 CA LYS A 114 3.697 -3.647 4.478 1.00 0.00 C ATOM 1716 C LYS A 114 2.489 -3.393 5.373 1.00 0.00 C ATOM 1717 O LYS A 114 2.170 -4.213 6.233 1.00 0.00 O ATOM 1718 CB LYS A 114 4.959 -3.076 5.130 1.00 0.00 C ATOM 1719 CG LYS A 114 6.216 -3.255 4.293 1.00 0.00 C ATOM 1720 CD LYS A 114 6.643 -4.713 4.227 1.00 0.00 C ATOM 1721 CE LYS A 114 6.359 -5.319 2.863 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.673 -4.371 1.756 1.00 0.00 N ATOM 0 H LYS A 114 4.232 -2.429 2.861 1.00 0.00 H new ATOM 0 HA LYS A 114 3.818 -4.724 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.809 -2.013 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.106 -3.556 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.038 -2.882 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.024 -2.658 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.708 -4.791 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.118 -5.281 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.948 -6.228 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.310 -5.609 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.977 -4.905 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.825 -3.815 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.436 -3.730 2.054 1.00 0.00 H new ATOM 1736 N VAL A 115 1.814 -2.259 5.173 1.00 0.00 N ATOM 1737 CA VAL A 115 0.629 -1.947 5.962 1.00 0.00 C ATOM 1738 C VAL A 115 -0.513 -2.885 5.582 1.00 0.00 C ATOM 1739 O VAL A 115 -0.967 -3.675 6.407 1.00 0.00 O ATOM 1740 CB VAL A 115 0.201 -0.468 5.806 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.314 -0.305 5.882 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.870 0.380 6.876 1.00 0.00 C ATOM 0 H VAL A 115 2.066 -1.553 4.481 1.00 0.00 H new ATOM 0 HA VAL A 115 0.879 -2.097 7.012 1.00 0.00 H new ATOM 0 HB VAL A 115 0.520 -0.132 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.573 0.748 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.782 -0.882 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.671 -0.664 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.564 1.420 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.573 0.022 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.953 0.307 6.774 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.927 -2.839 4.314 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.995 -3.708 3.824 1.00 0.00 C ATOM 1754 C ASP A 116 -1.735 -5.167 4.198 1.00 0.00 C ATOM 1755 O ASP A 116 -2.664 -5.913 4.513 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.132 -3.577 2.306 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.572 -3.389 1.869 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.455 -4.076 2.424 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -3.816 -2.554 0.973 1.00 0.00 O ATOM 0 H ASP A 116 -0.539 -2.210 3.611 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.925 -3.393 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.537 -2.731 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.724 -4.468 1.829 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.468 -5.566 4.164 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.089 -6.929 4.521 1.00 0.00 C ATOM 1766 C GLU A 117 -0.184 -7.125 6.026 1.00 0.00 C ATOM 1767 O GLU A 117 -0.627 -8.173 6.498 1.00 0.00 O ATOM 1768 CB GLU A 117 1.331 -7.233 4.040 1.00 0.00 C ATOM 1769 CG GLU A 117 1.378 -8.076 2.776 1.00 0.00 C ATOM 1770 CD GLU A 117 2.375 -7.551 1.761 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.591 -7.748 1.968 1.00 0.00 O ATOM 1772 OE2 GLU A 117 1.939 -6.945 0.760 1.00 0.00 O ATOM 0 H GLU A 117 0.312 -4.967 3.894 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.777 -7.618 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.853 -6.294 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.871 -7.751 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.638 -9.102 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.386 -8.103 2.325 1.00 0.00 H new ATOM 1779 N ALA A 118 0.216 -6.103 6.776 1.00 0.00 N ATOM 1780 CA ALA A 118 0.125 -6.152 8.227 1.00 0.00 C ATOM 1781 C ALA A 118 -1.328 -6.295 8.644 1.00 0.00 C ATOM 1782 O ALA A 118 -1.630 -6.893 9.670 1.00 0.00 O ATOM 1783 CB ALA A 118 0.740 -4.913 8.855 1.00 0.00 C ATOM 0 H ALA A 118 0.604 -5.236 6.404 1.00 0.00 H new ATOM 0 HA ALA A 118 0.686 -7.017 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.658 -4.976 9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.791 -4.846 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.213 -4.027 8.502 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.222 -5.752 7.825 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.652 -5.860 8.070 1.00 0.00 C ATOM 1791 C VAL A 119 -4.046 -7.312 8.185 1.00 0.00 C ATOM 1792 O VAL A 119 -4.660 -7.732 9.162 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.456 -5.236 6.929 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.921 -5.114 7.301 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.876 -3.894 6.575 1.00 0.00 C ATOM 0 H VAL A 119 -1.978 -5.231 6.983 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.869 -5.329 8.997 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.393 -5.887 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.471 -4.667 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.326 -6.103 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.021 -4.483 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.451 -3.452 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.916 -3.239 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.839 -4.017 6.261 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.677 -8.072 7.165 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.938 -9.496 7.137 1.00 0.00 C ATOM 1807 C ALA A 120 -3.396 -10.148 8.402 1.00 0.00 C ATOM 1808 O ALA A 120 -3.910 -11.166 8.870 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.296 -10.101 5.900 1.00 0.00 C ATOM 0 H ALA A 120 -3.192 -7.718 6.340 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.013 -9.672 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.491 -11.173 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.716 -9.636 5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.220 -9.928 5.927 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.372 -9.520 8.967 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.736 -9.997 10.181 1.00 0.00 C ATOM 1817 C VAL A 121 -2.469 -9.485 11.419 1.00 0.00 C ATOM 1818 O VAL A 121 -2.510 -10.154 12.450 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.262 -9.547 10.217 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.295 -9.586 11.629 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.570 -10.402 9.277 1.00 0.00 C ATOM 0 H VAL A 121 -1.961 -8.665 8.593 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.779 -11.086 10.184 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.213 -8.512 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.336 -9.263 11.619 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.285 -8.920 12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.235 -10.603 12.016 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.609 -10.075 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.508 -11.446 9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.191 -10.300 8.260 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.045 -8.293 11.305 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.791 -7.694 12.404 1.00 0.00 C ATOM 1833 C LEU A 122 -5.096 -8.448 12.613 1.00 0.00 C ATOM 1834 O LEU A 122 -5.482 -8.747 13.742 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.057 -6.210 12.116 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.528 -5.778 12.118 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.848 -4.980 13.372 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.845 -4.966 10.871 1.00 0.00 C ATOM 0 H LEU A 122 -3.009 -7.722 10.460 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.201 -7.762 13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.523 -5.615 12.857 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.629 -5.967 11.144 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.151 -6.673 12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.896 -4.682 13.356 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.659 -5.594 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.219 -4.091 13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.893 -4.667 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.215 -4.077 10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.655 -5.571 9.985 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.760 -8.764 11.508 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.007 -9.506 11.553 1.00 0.00 C ATOM 1852 C GLN A 123 -6.751 -10.939 12.003 1.00 0.00 C ATOM 1853 O GLN A 123 -7.628 -11.589 12.569 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.679 -9.491 10.177 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.246 -8.134 9.794 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.245 -7.609 10.807 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -8.900 -6.818 11.684 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.493 -8.048 10.690 1.00 0.00 N ATOM 0 H GLN A 123 -5.452 -8.515 10.568 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.674 -9.030 12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.954 -9.799 9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.482 -10.228 10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.429 -7.419 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.728 -8.208 8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.735 -8.704 9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.209 -7.729 11.343 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.530 -11.413 11.763 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.134 -12.761 12.151 1.00 0.00 C ATOM 1869 C ALA A 124 -4.575 -12.789 13.571 1.00 0.00 C ATOM 1870 O ALA A 124 -4.397 -13.859 14.155 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.103 -13.304 11.172 1.00 0.00 C ATOM 0 H ALA A 124 -4.796 -10.878 11.299 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.022 -13.393 12.127 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.813 -14.312 11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.532 -13.331 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.225 -12.659 11.173 1.00 0.00 H new