USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= -0.58 X(o=-1.2,f=-0.91) USER MOD Set 1.2: A 110 SER OG : rot 80:sc= -0.683 USER MOD Set 1.3: A 114 LYS NZ :NH3+ 165:sc= 0.0793 (180deg=0) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.828 USER MOD Set 2.2: A 57 MET CE :methyl 178:sc= -2.08 (180deg=-2.11) USER MOD Single : A 56 SER OG : rot 180:sc= -0.16 USER MOD Single : A 60 SER OG : rot -36:sc= 0.118 USER MOD Single : A 66 GLN : amide:sc= -0.0389 K(o=-0.039,f=-1.1) 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 143:sc= -2.42! (180deg=-3.39!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 81 MET CE :methyl 167:sc= -1.64 (180deg=-2) USER MOD Single : A 82 HIS : no HE2:sc= -7.34! C(o=-7.3!,f=-12!) USER MOD Single : A 84 THR OG1 : rot -22:sc= 0.848 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= -1.46 (180deg=-1.51) USER MOD Single : A 90 THR OG1 : rot -80:sc= -2.83! USER MOD Single : A 92 MET CE :methyl 148:sc= -1.27 (180deg=-3.65!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 115:sc= 0.128 USER MOD Single : A 104 MET CE :methyl 168:sc= -8.13! (180deg=-8.69!) 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 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.734 9.474 3.726 1.00 0.00 N ATOM 766 CA LEU A 53 1.883 9.151 4.567 1.00 0.00 C ATOM 767 C LEU A 53 2.632 7.937 4.021 1.00 0.00 C ATOM 768 O LEU A 53 2.018 6.952 3.607 1.00 0.00 O ATOM 769 CB LEU A 53 1.415 8.853 5.993 1.00 0.00 C ATOM 770 CG LEU A 53 2.043 9.684 7.124 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.341 9.048 7.595 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.272 11.126 6.702 1.00 0.00 C ATOM 0 HA LEU A 53 2.556 10.009 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.335 8.992 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.608 7.800 6.199 1.00 0.00 H new ATOM 0 HG LEU A 53 1.338 9.696 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.771 9.650 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.140 8.042 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.043 8.995 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.717 11.681 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.944 11.152 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.320 11.581 6.431 1.00 0.00 H new ATOM 784 N THR A 54 3.959 8.018 4.022 1.00 0.00 N ATOM 785 CA THR A 54 4.806 6.920 3.561 1.00 0.00 C ATOM 786 C THR A 54 6.270 7.236 3.827 1.00 0.00 C ATOM 787 O THR A 54 6.587 8.250 4.444 1.00 0.00 O ATOM 788 CB THR A 54 4.600 6.633 2.070 1.00 0.00 C ATOM 789 OG1 THR A 54 3.614 7.487 1.515 1.00 0.00 O ATOM 790 CG2 THR A 54 4.184 5.203 1.794 1.00 0.00 C ATOM 0 H THR A 54 4.475 8.839 4.339 1.00 0.00 H new ATOM 0 HA THR A 54 4.519 6.028 4.119 1.00 0.00 H new ATOM 0 HB THR A 54 5.570 6.812 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.503 7.283 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.054 5.063 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.954 4.523 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.244 4.993 2.304 1.00 0.00 H new ATOM 798 N ALA A 55 7.157 6.371 3.349 1.00 0.00 N ATOM 799 CA ALA A 55 8.589 6.543 3.563 1.00 0.00 C ATOM 800 C ALA A 55 9.050 7.953 3.205 1.00 0.00 C ATOM 801 O ALA A 55 9.853 8.549 3.923 1.00 0.00 O ATOM 802 CB ALA A 55 9.368 5.513 2.768 1.00 0.00 C ATOM 0 H ALA A 55 6.909 5.542 2.809 1.00 0.00 H new ATOM 0 HA ALA A 55 8.784 6.394 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.435 5.654 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.079 4.512 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.151 5.632 1.707 1.00 0.00 H new ATOM 808 N SER A 56 8.544 8.480 2.095 1.00 0.00 N ATOM 809 CA SER A 56 8.904 9.823 1.654 1.00 0.00 C ATOM 810 C SER A 56 8.539 10.856 2.718 1.00 0.00 C ATOM 811 O SER A 56 9.379 11.653 3.142 1.00 0.00 O ATOM 812 CB SER A 56 8.198 10.158 0.338 1.00 0.00 C ATOM 813 OG SER A 56 8.531 9.222 -0.673 1.00 0.00 O ATOM 0 H SER A 56 7.884 7.998 1.485 1.00 0.00 H new ATOM 0 HA SER A 56 9.982 9.852 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.119 10.163 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.479 11.161 0.016 1.00 0.00 H new ATOM 0 HG SER A 56 8.066 9.457 -1.503 1.00 0.00 H new ATOM 819 N MET A 57 7.286 10.817 3.160 1.00 0.00 N ATOM 820 CA MET A 57 6.803 11.738 4.182 1.00 0.00 C ATOM 821 C MET A 57 7.641 11.616 5.447 1.00 0.00 C ATOM 822 O MET A 57 7.957 12.611 6.098 1.00 0.00 O ATOM 823 CB MET A 57 5.340 11.439 4.513 1.00 0.00 C ATOM 824 CG MET A 57 4.343 11.920 3.467 1.00 0.00 C ATOM 825 SD MET A 57 5.094 12.261 1.863 1.00 0.00 S ATOM 826 CE MET A 57 4.757 10.726 1.006 1.00 0.00 C ATOM 0 H MET A 57 6.585 10.156 2.825 1.00 0.00 H new ATOM 0 HA MET A 57 6.887 12.753 3.794 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.222 10.363 4.640 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.095 11.902 5.469 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.566 11.166 3.343 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.854 12.824 3.830 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.129 10.791 -0.017 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.255 9.905 1.522 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.682 10.546 0.990 1.00 0.00 H new ATOM 836 N LEU A 58 7.987 10.381 5.787 1.00 0.00 N ATOM 837 CA LEU A 58 8.788 10.100 6.969 1.00 0.00 C ATOM 838 C LEU A 58 10.156 10.758 6.871 1.00 0.00 C ATOM 839 O LEU A 58 10.646 11.347 7.833 1.00 0.00 O ATOM 840 CB LEU A 58 8.954 8.591 7.126 1.00 0.00 C ATOM 841 CG LEU A 58 7.647 7.801 7.144 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.903 6.346 6.777 1.00 0.00 C ATOM 843 CD2 LEU A 58 6.975 7.911 8.504 1.00 0.00 C ATOM 0 H LEU A 58 7.722 9.552 5.255 1.00 0.00 H new ATOM 0 HA LEU A 58 8.274 10.508 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.574 8.221 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.494 8.394 8.052 1.00 0.00 H new ATOM 0 HG LEU A 58 6.972 8.226 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.962 5.796 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.336 6.293 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.594 5.906 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.045 7.342 8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.639 7.513 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.758 8.957 8.719 1.00 0.00 H new ATOM 855 N ALA A 59 10.770 10.641 5.699 1.00 0.00 N ATOM 856 CA ALA A 59 12.086 11.218 5.459 1.00 0.00 C ATOM 857 C ALA A 59 12.052 12.736 5.607 1.00 0.00 C ATOM 858 O ALA A 59 13.091 13.380 5.750 1.00 0.00 O ATOM 859 CB ALA A 59 12.590 10.830 4.077 1.00 0.00 C ATOM 0 H ALA A 59 10.375 10.149 4.897 1.00 0.00 H new ATOM 0 HA ALA A 59 12.773 10.821 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.574 11.269 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.660 9.745 4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.897 11.199 3.320 1.00 0.00 H new ATOM 865 N SER A 60 10.848 13.299 5.578 1.00 0.00 N ATOM 866 CA SER A 60 10.675 14.742 5.714 1.00 0.00 C ATOM 867 C SER A 60 10.903 15.185 7.157 1.00 0.00 C ATOM 868 O SER A 60 10.943 16.380 7.449 1.00 0.00 O ATOM 869 CB SER A 60 9.274 15.155 5.261 1.00 0.00 C ATOM 870 OG SER A 60 9.194 16.556 5.061 1.00 0.00 O ATOM 0 H SER A 60 9.978 12.779 5.462 1.00 0.00 H new ATOM 0 HA SER A 60 11.415 15.231 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.020 14.638 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.542 14.849 6.008 1.00 0.00 H new ATOM 0 HG SER A 60 9.746 17.014 5.729 1.00 0.00 H new ATOM 876 N ALA A 61 11.067 14.215 8.052 1.00 0.00 N ATOM 877 CA ALA A 61 11.295 14.507 9.463 1.00 0.00 C ATOM 878 C ALA A 61 12.454 13.678 10.019 1.00 0.00 C ATOM 879 O ALA A 61 12.271 12.898 10.954 1.00 0.00 O ATOM 880 CB ALA A 61 10.025 14.245 10.263 1.00 0.00 C ATOM 0 H ALA A 61 11.046 13.221 7.825 1.00 0.00 H new ATOM 0 HA ALA A 61 11.562 15.560 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.206 14.466 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.223 14.882 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.737 13.199 10.156 1.00 0.00 H new ATOM 946 N GLN A 66 10.957 10.775 12.415 1.00 0.00 N ATOM 947 CA GLN A 66 11.445 9.761 11.486 1.00 0.00 C ATOM 948 C GLN A 66 11.214 8.363 12.038 1.00 0.00 C ATOM 949 O GLN A 66 11.240 7.379 11.299 1.00 0.00 O ATOM 950 CB GLN A 66 12.929 9.959 11.207 1.00 0.00 C ATOM 951 CG GLN A 66 13.241 10.120 9.732 1.00 0.00 C ATOM 952 CD GLN A 66 14.667 9.737 9.386 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.500 9.536 10.270 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.955 9.634 8.094 1.00 0.00 N ATOM 0 HA GLN A 66 10.888 9.869 10.555 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.279 10.840 11.745 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.483 9.106 11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.554 9.505 9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.067 11.156 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.233 9.810 7.395 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.898 9.379 7.800 1.00 0.00 H new ATOM 963 N LYS A 67 10.990 8.286 13.342 1.00 0.00 N ATOM 964 CA LYS A 67 10.747 7.010 14.006 1.00 0.00 C ATOM 965 C LYS A 67 9.531 7.091 14.924 1.00 0.00 C ATOM 966 O LYS A 67 9.405 6.313 15.869 1.00 0.00 O ATOM 967 CB LYS A 67 11.981 6.587 14.808 1.00 0.00 C ATOM 968 CG LYS A 67 12.250 7.467 16.020 1.00 0.00 C ATOM 969 CD LYS A 67 13.606 8.150 15.927 1.00 0.00 C ATOM 970 CE LYS A 67 13.676 9.370 16.831 1.00 0.00 C ATOM 971 NZ LYS A 67 13.799 10.632 16.053 1.00 0.00 N ATOM 0 H LYS A 67 10.971 9.094 13.964 1.00 0.00 H new ATOM 0 HA LYS A 67 10.546 6.263 13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.853 5.556 15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.853 6.606 14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.467 8.221 16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.208 6.862 16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.390 7.445 16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.795 8.448 14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.782 9.413 17.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.528 9.274 17.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.844 11.440 16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.666 10.603 15.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.974 10.737 15.429 1.00 0.00 H new ATOM 985 N GLN A 68 8.630 8.027 14.634 1.00 0.00 N ATOM 986 CA GLN A 68 7.441 8.211 15.460 1.00 0.00 C ATOM 987 C GLN A 68 6.164 8.294 14.622 1.00 0.00 C ATOM 988 O GLN A 68 5.196 7.580 14.887 1.00 0.00 O ATOM 989 CB GLN A 68 7.585 9.477 16.307 1.00 0.00 C ATOM 990 CG GLN A 68 6.454 9.676 17.303 1.00 0.00 C ATOM 991 CD GLN A 68 6.407 11.084 17.862 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.104 11.406 18.823 1.00 0.00 O ATOM 993 NE2 GLN A 68 5.578 11.931 17.263 1.00 0.00 N ATOM 0 H GLN A 68 8.700 8.664 13.841 1.00 0.00 H new ATOM 0 HA GLN A 68 7.356 7.338 16.107 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.531 9.437 16.847 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.632 10.343 15.646 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.504 9.450 16.818 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.569 8.968 18.123 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.018 11.621 16.469 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.501 12.892 17.597 1.00 0.00 H new ATOM 1002 N MET A 69 6.153 9.184 13.632 1.00 0.00 N ATOM 1003 CA MET A 69 4.967 9.393 12.802 1.00 0.00 C ATOM 1004 C MET A 69 4.791 8.295 11.755 1.00 0.00 C ATOM 1005 O MET A 69 4.025 8.451 10.804 1.00 0.00 O ATOM 1006 CB MET A 69 5.036 10.758 12.115 1.00 0.00 C ATOM 1007 CG MET A 69 5.973 10.798 10.917 1.00 0.00 C ATOM 1008 SD MET A 69 5.253 11.652 9.502 1.00 0.00 S ATOM 1009 CE MET A 69 6.691 12.500 8.854 1.00 0.00 C ATOM 0 H MET A 69 6.950 9.771 13.385 1.00 0.00 H new ATOM 0 HA MET A 69 4.102 9.357 13.464 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.035 11.042 11.791 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.359 11.504 12.842 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.901 11.294 11.202 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.232 9.779 10.629 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.650 12.506 7.765 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.705 13.526 9.222 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.595 11.985 9.180 1.00 0.00 H new ATOM 1019 N LEU A 70 5.497 7.188 11.933 1.00 0.00 N ATOM 1020 CA LEU A 70 5.403 6.061 11.009 1.00 0.00 C ATOM 1021 C LEU A 70 4.293 5.123 11.441 1.00 0.00 C ATOM 1022 O LEU A 70 3.688 4.431 10.624 1.00 0.00 O ATOM 1023 CB LEU A 70 6.728 5.298 10.950 1.00 0.00 C ATOM 1024 CG LEU A 70 7.737 5.685 12.030 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.836 4.640 12.138 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.315 7.058 11.735 1.00 0.00 C ATOM 0 H LEU A 70 6.143 7.043 12.709 1.00 0.00 H new ATOM 0 HA LEU A 70 5.179 6.451 10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.521 4.231 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.182 5.461 9.973 1.00 0.00 H new ATOM 0 HG LEU A 70 7.224 5.727 12.991 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.544 4.935 12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.397 3.676 12.395 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.356 4.559 11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.033 7.325 12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.816 7.042 10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.512 7.794 11.716 1.00 0.00 H new ATOM 1038 N GLY A 71 4.044 5.099 12.741 1.00 0.00 N ATOM 1039 CA GLY A 71 2.993 4.270 13.275 1.00 0.00 C ATOM 1040 C GLY A 71 2.121 5.034 14.249 1.00 0.00 C ATOM 1041 O GLY A 71 1.298 4.447 14.952 1.00 0.00 O ATOM 0 H GLY A 71 4.556 5.643 13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.380 3.888 12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.429 3.406 13.777 1.00 0.00 H new ATOM 1045 N GLU A 72 2.292 6.357 14.276 1.00 0.00 N ATOM 1046 CA GLU A 72 1.515 7.208 15.173 1.00 0.00 C ATOM 1047 C GLU A 72 0.901 8.399 14.433 1.00 0.00 C ATOM 1048 O GLU A 72 0.189 9.206 15.030 1.00 0.00 O ATOM 1049 CB GLU A 72 2.393 7.706 16.323 1.00 0.00 C ATOM 1050 CG GLU A 72 2.904 6.593 17.224 1.00 0.00 C ATOM 1051 CD GLU A 72 3.104 7.049 18.657 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.929 7.960 18.880 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.436 6.494 19.555 1.00 0.00 O ATOM 0 H GLU A 72 2.959 6.859 13.689 1.00 0.00 H new ATOM 0 HA GLU A 72 0.700 6.606 15.573 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.244 8.248 15.911 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.823 8.415 16.923 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.198 5.763 17.206 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.849 6.217 16.831 1.00 0.00 H new ATOM 1060 N ARG A 73 1.164 8.495 13.130 1.00 0.00 N ATOM 1061 CA ARG A 73 0.622 9.582 12.316 1.00 0.00 C ATOM 1062 C ARG A 73 -0.097 9.031 11.092 1.00 0.00 C ATOM 1063 O ARG A 73 -0.942 9.702 10.500 1.00 0.00 O ATOM 1064 CB ARG A 73 1.736 10.532 11.879 1.00 0.00 C ATOM 1065 CG ARG A 73 1.285 11.979 11.753 1.00 0.00 C ATOM 1066 CD ARG A 73 0.948 12.335 10.314 1.00 0.00 C ATOM 1067 NE ARG A 73 0.985 13.777 10.082 1.00 0.00 N ATOM 1068 CZ ARG A 73 1.903 14.380 9.333 1.00 0.00 C ATOM 1069 NH1 ARG A 73 2.858 13.670 8.745 1.00 0.00 N ATOM 1070 NH2 ARG A 73 1.869 15.696 9.169 1.00 0.00 N ATOM 0 H ARG A 73 1.748 7.835 12.617 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.094 10.134 12.925 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.553 10.476 12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.132 10.198 10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.412 12.145 12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.072 12.639 12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.653 11.842 9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.044 11.954 10.069 1.00 0.00 H new ATOM 0 HE ARG A 73 0.266 14.353 10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.889 12.658 8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.560 14.137 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.138 16.247 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.574 16.157 8.594 1.00 0.00 H new ATOM 1084 N LEU A 74 0.240 7.800 10.722 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.379 7.149 9.577 1.00 0.00 C ATOM 1086 C LEU A 74 -1.776 6.669 9.914 1.00 0.00 C ATOM 1087 O LEU A 74 -2.549 6.313 9.030 1.00 0.00 O ATOM 1088 CB LEU A 74 0.459 5.957 9.139 1.00 0.00 C ATOM 1089 CG LEU A 74 1.306 6.203 7.909 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.680 5.592 8.091 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.611 5.655 6.673 1.00 0.00 C ATOM 0 H LEU A 74 0.940 7.233 11.201 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.439 7.879 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.112 5.666 9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.204 5.114 8.945 1.00 0.00 H new ATOM 0 HG LEU A 74 1.433 7.277 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.281 5.775 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.167 6.043 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.583 4.518 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.231 5.839 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.455 4.583 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.352 6.150 6.547 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.067 6.627 11.204 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.351 6.148 11.697 1.00 0.00 C ATOM 1105 C PHE A 75 -4.523 6.621 10.824 1.00 0.00 C ATOM 1106 O PHE A 75 -5.299 5.799 10.333 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.541 6.590 13.151 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.632 5.856 13.872 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -4.934 4.544 13.548 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.345 6.475 14.886 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -5.936 3.867 14.214 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.347 5.801 15.557 1.00 0.00 C ATOM 1113 CZ PHE A 75 -6.643 4.495 15.220 1.00 0.00 C ATOM 0 H PHE A 75 -1.423 6.923 11.938 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.345 5.059 11.647 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.604 6.448 13.689 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.761 7.657 13.170 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.380 4.045 12.766 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.115 7.495 15.155 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.167 2.846 13.948 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.898 6.295 16.344 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.426 3.966 15.742 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.666 7.944 10.589 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.752 8.477 9.760 1.00 0.00 C ATOM 1125 C PRO A 76 -5.569 8.136 8.285 1.00 0.00 C ATOM 1126 O PRO A 76 -6.529 8.125 7.515 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.671 9.998 9.966 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.734 10.201 11.111 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.809 9.020 11.106 1.00 0.00 C ATOM 0 HA PRO A 76 -6.715 8.052 10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.305 10.496 9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.653 10.416 10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.178 11.132 10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.278 10.266 12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.941 9.188 10.469 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.433 8.795 12.104 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.326 7.861 7.900 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.006 7.540 6.514 1.00 0.00 C ATOM 1139 C LEU A 77 -4.346 6.091 6.177 1.00 0.00 C ATOM 1140 O LEU A 77 -4.681 5.780 5.033 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.520 7.797 6.240 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.118 9.265 6.054 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.237 10.072 5.407 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.723 9.868 7.389 1.00 0.00 C ATOM 0 H LEU A 77 -3.524 7.854 8.530 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.613 8.186 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.941 7.384 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.235 7.246 5.344 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.260 9.300 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.918 11.108 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.470 9.652 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.125 10.035 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.439 10.911 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.566 9.812 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.880 9.315 7.803 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.240 5.200 7.160 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.535 3.790 6.928 1.00 0.00 C ATOM 1158 C ILE A 78 -6.020 3.582 6.676 1.00 0.00 C ATOM 1159 O ILE A 78 -6.404 2.829 5.782 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.103 2.894 8.095 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.766 3.361 8.671 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.012 1.451 7.626 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.604 3.192 7.719 1.00 0.00 C ATOM 0 H ILE A 78 -3.956 5.426 8.113 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.960 3.504 6.047 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.849 2.962 8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.847 4.412 8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.560 2.804 9.585 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.705 0.817 8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.986 1.125 7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.280 1.375 6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.689 3.544 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.496 2.139 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.788 3.771 6.814 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.850 4.262 7.463 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.298 4.186 7.299 1.00 0.00 C ATOM 1177 C GLN A 79 -8.682 4.442 5.844 1.00 0.00 C ATOM 1178 O GLN A 79 -9.783 4.113 5.406 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.978 5.217 8.200 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.450 4.655 9.529 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.318 5.628 10.301 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.470 5.333 10.620 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.769 6.797 10.607 1.00 0.00 N ATOM 0 H GLN A 79 -6.544 4.872 8.221 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.629 3.186 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.283 6.035 8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.832 5.640 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.010 3.737 9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.584 4.388 10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.811 7.000 10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.305 7.492 11.126 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.752 5.039 5.111 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.941 5.330 3.694 1.00 0.00 C ATOM 1194 C ALA A 80 -7.646 4.100 2.844 1.00 0.00 C ATOM 1195 O ALA A 80 -8.349 3.821 1.872 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.040 6.480 3.272 1.00 0.00 C ATOM 0 H ALA A 80 -6.848 5.335 5.479 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.982 5.615 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.189 6.689 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.286 7.368 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.999 6.209 3.445 1.00 0.00 H new ATOM 1202 N MET A 81 -6.583 3.384 3.202 1.00 0.00 N ATOM 1203 CA MET A 81 -6.186 2.182 2.476 1.00 0.00 C ATOM 1204 C MET A 81 -7.199 1.068 2.697 1.00 0.00 C ATOM 1205 O MET A 81 -7.590 0.367 1.762 1.00 0.00 O ATOM 1206 CB MET A 81 -4.801 1.717 2.935 1.00 0.00 C ATOM 1207 CG MET A 81 -3.828 2.855 3.193 1.00 0.00 C ATOM 1208 SD MET A 81 -2.701 2.507 4.551 1.00 0.00 S ATOM 1209 CE MET A 81 -1.206 2.111 3.655 1.00 0.00 C ATOM 0 H MET A 81 -5.981 3.616 3.992 1.00 0.00 H new ATOM 0 HA MET A 81 -6.148 2.421 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.909 1.129 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.380 1.056 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.252 3.048 2.288 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.388 3.764 3.414 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.361 2.098 4.344 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.310 1.131 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.034 2.862 2.884 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.616 0.919 3.945 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.581 -0.102 4.323 1.00 0.00 C ATOM 1221 C HIS A 82 -9.835 0.543 4.897 1.00 0.00 C ATOM 1222 O HIS A 82 -9.758 1.615 5.490 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.955 -1.036 5.360 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.245 -2.205 4.757 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.443 -3.481 5.219 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.345 -2.236 3.743 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.677 -4.260 4.474 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.986 -3.546 3.576 1.00 0.00 N ATOM 0 H HIS A 82 -7.297 1.499 4.721 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.858 -0.675 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.252 -0.469 5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.736 -1.400 6.028 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -8.056 -3.770 5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.982 -1.391 3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.616 -5.333 4.576 1.00 0.00 H new ATOM 1236 N PRO A 83 -11.013 -0.090 4.723 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.276 0.442 5.253 1.00 0.00 C ATOM 1238 C PRO A 83 -12.230 0.590 6.771 1.00 0.00 C ATOM 1239 O PRO A 83 -12.763 -0.245 7.503 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.318 -0.606 4.842 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.535 -1.841 4.554 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.205 -1.377 4.034 1.00 0.00 C ATOM 0 HA PRO A 83 -12.497 1.438 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.042 -0.775 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.879 -0.282 3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.413 -2.444 5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.045 -2.464 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.410 -2.084 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.214 -1.258 2.951 1.00 0.00 H new ATOM 1250 N THR A 84 -11.563 1.648 7.230 1.00 0.00 N ATOM 1251 CA THR A 84 -11.400 1.906 8.655 1.00 0.00 C ATOM 1252 C THR A 84 -10.963 0.640 9.391 1.00 0.00 C ATOM 1253 O THR A 84 -11.364 0.401 10.531 1.00 0.00 O ATOM 1254 CB THR A 84 -12.702 2.445 9.255 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.654 1.406 9.408 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.340 3.535 8.420 1.00 0.00 C ATOM 0 H THR A 84 -11.124 2.344 6.627 1.00 0.00 H new ATOM 0 HA THR A 84 -10.621 2.659 8.775 1.00 0.00 H new ATOM 0 HB THR A 84 -12.421 2.867 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.430 0.666 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.258 3.872 8.902 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.650 4.373 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.572 3.145 7.429 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.140 -0.168 8.726 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.657 -1.419 9.303 1.00 0.00 C ATOM 1266 C LEU A 85 -8.370 -1.203 10.091 1.00 0.00 C ATOM 1267 O LEU A 85 -7.780 -2.156 10.600 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.419 -2.451 8.202 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.362 -3.657 8.232 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.727 -3.279 7.677 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.767 -4.818 7.449 1.00 0.00 C ATOM 0 H LEU A 85 -9.794 0.022 7.786 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.421 -1.788 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.515 -1.957 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.392 -2.809 8.276 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.488 -3.972 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.385 -4.148 7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.156 -2.479 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.620 -2.939 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.450 -5.667 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.611 -4.516 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.813 -5.104 7.891 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.939 0.051 10.178 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.726 0.398 10.913 1.00 0.00 C ATOM 1285 C ALA A 86 -6.862 0.025 12.391 1.00 0.00 C ATOM 1286 O ALA A 86 -6.958 -1.154 12.733 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.415 1.879 10.745 1.00 0.00 C ATOM 0 H ALA A 86 -8.412 0.846 9.748 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.893 -0.174 10.503 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.508 2.125 11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.268 2.102 9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.246 2.471 11.129 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.862 1.026 13.266 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.999 0.766 14.688 1.00 0.00 C ATOM 1295 C GLY A 87 -5.850 -0.044 15.259 1.00 0.00 C ATOM 1296 O GLY A 87 -5.821 -0.318 16.459 1.00 0.00 O ATOM 0 H GLY A 87 -6.770 2.011 13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.066 1.715 15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.934 0.234 14.866 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.900 -0.430 14.405 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.768 -1.228 14.843 1.00 0.00 C ATOM 1302 C LYS A 88 -2.761 -1.466 13.714 1.00 0.00 C ATOM 1303 O LYS A 88 -1.607 -1.785 13.977 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.265 -2.571 15.386 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.154 -3.512 15.815 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.297 -2.900 16.911 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.839 -2.888 16.502 1.00 0.00 C ATOM 1308 NZ LYS A 88 0.015 -3.674 17.437 1.00 0.00 N ATOM 0 H LYS A 88 -4.897 -0.201 13.411 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.255 -0.673 15.629 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.920 -2.387 16.237 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.867 -3.061 14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.585 -4.448 16.169 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.529 -3.754 14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.631 -1.883 17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.417 -3.468 17.834 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.743 -3.295 15.495 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.482 -1.859 16.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.992 -3.694 17.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.002 -3.231 18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.349 -4.646 17.505 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.193 -1.323 12.459 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.315 -1.574 11.324 1.00 0.00 C ATOM 1324 C ILE A 89 -0.981 -0.837 11.461 1.00 0.00 C ATOM 1325 O ILE A 89 0.005 -1.415 11.907 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.979 -1.185 9.992 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.305 -1.934 9.825 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.039 -1.491 8.836 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.149 -1.441 8.669 1.00 0.00 C ATOM 0 H ILE A 89 -4.139 -1.037 12.208 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.123 -2.647 11.321 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.188 -0.115 9.996 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.096 -2.994 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.880 -1.843 10.746 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.516 -1.213 7.896 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.117 -0.923 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.810 -2.557 8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.070 -2.021 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.391 -0.389 8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.594 -1.558 7.738 1.00 0.00 H new ATOM 1341 N THR A 90 -0.950 0.428 11.052 1.00 0.00 N ATOM 1342 CA THR A 90 0.271 1.238 11.121 1.00 0.00 C ATOM 1343 C THR A 90 0.852 1.229 12.530 1.00 0.00 C ATOM 1344 O THR A 90 2.069 1.179 12.704 1.00 0.00 O ATOM 1345 CB THR A 90 -0.036 2.664 10.656 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.731 2.982 9.508 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.219 3.743 11.687 1.00 0.00 C ATOM 0 H THR A 90 -1.757 0.919 10.668 1.00 0.00 H new ATOM 0 HA THR A 90 1.023 0.807 10.459 1.00 0.00 H new ATOM 0 HB THR A 90 -1.107 2.657 10.451 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.640 3.228 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.028 4.717 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.401 3.561 12.565 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.270 3.729 11.976 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.018 1.262 13.535 1.00 0.00 N ATOM 1356 CA GLY A 91 0.450 1.189 14.904 1.00 0.00 C ATOM 1357 C GLY A 91 1.263 -0.068 15.122 1.00 0.00 C ATOM 1358 O GLY A 91 2.198 -0.094 15.922 1.00 0.00 O ATOM 0 H GLY A 91 -1.029 1.337 13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.056 2.065 15.134 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.400 1.202 15.586 1.00 0.00 H new ATOM 1362 N MET A 92 0.919 -1.100 14.360 1.00 0.00 N ATOM 1363 CA MET A 92 1.637 -2.369 14.406 1.00 0.00 C ATOM 1364 C MET A 92 2.949 -2.248 13.667 1.00 0.00 C ATOM 1365 O MET A 92 3.946 -2.858 14.039 1.00 0.00 O ATOM 1366 CB MET A 92 0.810 -3.483 13.761 1.00 0.00 C ATOM 1367 CG MET A 92 1.001 -4.835 14.424 1.00 0.00 C ATOM 1368 SD MET A 92 -0.484 -5.854 14.368 1.00 0.00 S ATOM 1369 CE MET A 92 -0.770 -5.924 12.603 1.00 0.00 C ATOM 0 H MET A 92 0.142 -1.082 13.699 1.00 0.00 H new ATOM 0 HA MET A 92 1.819 -2.615 15.452 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.245 -3.212 13.801 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.079 -3.562 12.708 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.818 -5.364 13.933 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.296 -4.687 15.463 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.224 -6.881 12.346 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.439 -5.114 12.310 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.179 -5.819 12.076 1.00 0.00 H new ATOM 1379 N LEU A 93 2.922 -1.463 12.602 1.00 0.00 N ATOM 1380 CA LEU A 93 4.079 -1.268 11.747 1.00 0.00 C ATOM 1381 C LEU A 93 5.283 -0.766 12.532 1.00 0.00 C ATOM 1382 O LEU A 93 6.404 -0.750 12.024 1.00 0.00 O ATOM 1383 CB LEU A 93 3.718 -0.298 10.637 1.00 0.00 C ATOM 1384 CG LEU A 93 3.079 -0.946 9.406 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.073 -1.875 8.725 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.817 -1.705 9.795 1.00 0.00 C ATOM 0 H LEU A 93 2.096 -0.943 12.307 1.00 0.00 H new ATOM 0 HA LEU A 93 4.360 -2.229 11.317 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.032 0.450 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.620 0.230 10.326 1.00 0.00 H new ATOM 0 HG LEU A 93 2.801 -0.160 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.606 -2.330 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.949 -1.306 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.377 -2.656 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.377 -2.159 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.068 -2.485 10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.101 -1.016 10.243 1.00 0.00 H new ATOM 1398 N LEU A 94 5.051 -0.373 13.776 1.00 0.00 N ATOM 1399 CA LEU A 94 6.129 0.056 14.646 1.00 0.00 C ATOM 1400 C LEU A 94 6.408 -1.030 15.672 1.00 0.00 C ATOM 1401 O LEU A 94 6.843 -0.756 16.792 1.00 0.00 O ATOM 1402 CB LEU A 94 5.765 1.367 15.339 1.00 0.00 C ATOM 1403 CG LEU A 94 6.433 2.611 14.750 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.026 2.800 13.295 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.085 3.845 15.569 1.00 0.00 C ATOM 0 H LEU A 94 4.125 -0.343 14.203 1.00 0.00 H new ATOM 0 HA LEU A 94 7.026 0.227 14.051 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.684 1.497 15.295 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.034 1.292 16.393 1.00 0.00 H new ATOM 0 HG LEU A 94 7.513 2.470 14.787 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.511 3.690 12.894 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.331 1.928 12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.944 2.917 13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.570 4.719 15.134 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.005 3.990 15.567 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.431 3.711 16.594 1.00 0.00 H new ATOM 1417 N GLU A 95 6.124 -2.270 15.277 1.00 0.00 N ATOM 1418 CA GLU A 95 6.304 -3.419 16.155 1.00 0.00 C ATOM 1419 C GLU A 95 6.077 -4.740 15.417 1.00 0.00 C ATOM 1420 O GLU A 95 6.154 -5.809 16.023 1.00 0.00 O ATOM 1421 CB GLU A 95 5.344 -3.325 17.344 1.00 0.00 C ATOM 1422 CG GLU A 95 3.912 -3.712 17.004 1.00 0.00 C ATOM 1423 CD GLU A 95 3.065 -3.957 18.236 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.064 -3.092 19.138 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.403 -5.014 18.301 1.00 0.00 O ATOM 0 H GLU A 95 5.767 -2.502 14.350 1.00 0.00 H new ATOM 0 HA GLU A 95 7.335 -3.404 16.509 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.706 -3.971 18.144 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.354 -2.305 17.729 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.458 -2.921 16.407 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.919 -4.611 16.388 1.00 0.00 H new ATOM 1432 N ILE A 96 5.808 -4.672 14.110 1.00 0.00 N ATOM 1433 CA ILE A 96 5.562 -5.887 13.326 1.00 0.00 C ATOM 1434 C ILE A 96 6.796 -6.788 13.281 1.00 0.00 C ATOM 1435 O ILE A 96 7.629 -6.782 14.188 1.00 0.00 O ATOM 1436 CB ILE A 96 5.173 -5.583 11.862 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.359 -4.995 11.099 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.969 -4.667 11.769 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.736 -3.602 11.524 1.00 0.00 C ATOM 0 H ILE A 96 5.755 -3.803 13.578 1.00 0.00 H new ATOM 0 HA ILE A 96 4.735 -6.385 13.832 1.00 0.00 H new ATOM 0 HB ILE A 96 4.894 -6.530 11.400 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.221 -5.649 11.230 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.124 -4.987 10.035 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.733 -4.482 10.721 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.115 -5.138 12.256 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.192 -3.722 12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.586 -3.259 10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.891 -2.932 11.366 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.005 -3.604 12.580 1.00 0.00 H new ATOM 1451 N ASP A 97 6.919 -7.519 12.174 1.00 0.00 N ATOM 1452 CA ASP A 97 8.063 -8.372 11.911 1.00 0.00 C ATOM 1453 C ASP A 97 9.365 -7.590 12.044 1.00 0.00 C ATOM 1454 O ASP A 97 10.452 -8.169 12.023 1.00 0.00 O ATOM 1455 CB ASP A 97 7.943 -8.926 10.492 1.00 0.00 C ATOM 1456 CG ASP A 97 8.734 -10.203 10.291 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.758 -11.039 11.219 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.329 -10.367 9.206 1.00 0.00 O ATOM 0 H ASP A 97 6.219 -7.532 11.432 1.00 0.00 H new ATOM 0 HA ASP A 97 8.077 -9.184 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.893 -9.115 10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.289 -8.174 9.783 1.00 0.00 H new ATOM 1463 N ASN A 98 9.230 -6.267 12.143 1.00 0.00 N ATOM 1464 CA ASN A 98 10.361 -5.353 12.259 1.00 0.00 C ATOM 1465 C ASN A 98 10.981 -5.084 10.896 1.00 0.00 C ATOM 1466 O ASN A 98 11.587 -4.035 10.674 1.00 0.00 O ATOM 1467 CB ASN A 98 11.417 -5.882 13.233 1.00 0.00 C ATOM 1468 CG ASN A 98 11.520 -5.039 14.489 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.165 -5.484 15.581 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.007 -3.813 14.340 1.00 0.00 N ATOM 0 H ASN A 98 8.324 -5.798 12.145 1.00 0.00 H new ATOM 0 HA ASN A 98 9.981 -4.413 12.660 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.173 -6.908 13.507 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.386 -5.907 12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.099 -3.199 15.149 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.289 -3.485 13.416 1.00 0.00 H new ATOM 1477 N SER A 99 10.803 -6.024 9.975 1.00 0.00 N ATOM 1478 CA SER A 99 11.303 -5.858 8.619 1.00 0.00 C ATOM 1479 C SER A 99 10.441 -4.850 7.874 1.00 0.00 C ATOM 1480 O SER A 99 10.922 -4.119 7.010 1.00 0.00 O ATOM 1481 CB SER A 99 11.316 -7.194 7.879 1.00 0.00 C ATOM 1482 OG SER A 99 11.666 -8.257 8.748 1.00 0.00 O ATOM 0 H SER A 99 10.318 -6.905 10.143 1.00 0.00 H new ATOM 0 HA SER A 99 12.327 -5.488 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.334 -7.383 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.025 -7.148 7.052 1.00 0.00 H new ATOM 0 HG SER A 99 10.903 -8.865 8.845 1.00 0.00 H new ATOM 1488 N GLU A 100 9.162 -4.807 8.238 1.00 0.00 N ATOM 1489 CA GLU A 100 8.231 -3.854 7.653 1.00 0.00 C ATOM 1490 C GLU A 100 8.514 -2.463 8.189 1.00 0.00 C ATOM 1491 O GLU A 100 8.369 -1.478 7.476 1.00 0.00 O ATOM 1492 CB GLU A 100 6.791 -4.251 7.960 1.00 0.00 C ATOM 1493 CG GLU A 100 6.377 -5.574 7.347 1.00 0.00 C ATOM 1494 CD GLU A 100 6.813 -6.767 8.171 1.00 0.00 C ATOM 1495 OE1 GLU A 100 7.954 -7.236 7.977 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.007 -7.240 8.999 1.00 0.00 O ATOM 0 H GLU A 100 8.749 -5.424 8.937 1.00 0.00 H new ATOM 0 HA GLU A 100 8.364 -3.856 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.662 -4.306 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.123 -3.469 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.293 -5.593 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.803 -5.654 6.347 1.00 0.00 H new ATOM 1503 N LEU A 101 8.946 -2.397 9.443 1.00 0.00 N ATOM 1504 CA LEU A 101 9.287 -1.127 10.070 1.00 0.00 C ATOM 1505 C LEU A 101 10.499 -0.508 9.385 1.00 0.00 C ATOM 1506 O LEU A 101 10.691 0.705 9.415 1.00 0.00 O ATOM 1507 CB LEU A 101 9.568 -1.335 11.564 1.00 0.00 C ATOM 1508 CG LEU A 101 9.760 -0.060 12.401 1.00 0.00 C ATOM 1509 CD1 LEU A 101 11.223 0.362 12.402 1.00 0.00 C ATOM 1510 CD2 LEU A 101 8.875 1.072 11.896 1.00 0.00 C ATOM 0 H LEU A 101 9.068 -3.210 10.046 1.00 0.00 H new ATOM 0 HA LEU A 101 8.443 -0.446 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.743 -1.905 11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.464 -1.948 11.662 1.00 0.00 H new ATOM 0 HG LEU A 101 9.462 -0.283 13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.340 1.266 12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.832 -0.436 12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.546 0.558 11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.034 1.959 12.509 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.127 1.297 10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.829 0.771 11.958 1.00 0.00 H new ATOM 1522 N LEU A 102 11.306 -1.354 8.753 1.00 0.00 N ATOM 1523 CA LEU A 102 12.504 -0.900 8.053 1.00 0.00 C ATOM 1524 C LEU A 102 12.198 -0.552 6.606 1.00 0.00 C ATOM 1525 O LEU A 102 12.596 0.502 6.115 1.00 0.00 O ATOM 1526 CB LEU A 102 13.587 -1.981 8.108 1.00 0.00 C ATOM 1527 CG LEU A 102 14.721 -1.711 9.099 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.283 -2.048 10.516 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.961 -2.504 8.719 1.00 0.00 C ATOM 0 H LEU A 102 11.152 -2.361 8.711 1.00 0.00 H new ATOM 0 HA LEU A 102 12.863 -0.000 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.118 -2.931 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.015 -2.096 7.112 1.00 0.00 H new ATOM 0 HG LEU A 102 14.967 -0.650 9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.102 -1.850 11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.424 -1.435 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.009 -3.101 10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.757 -2.300 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.729 -3.569 8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.287 -2.213 7.721 1.00 0.00 H new ATOM 1541 N HIS A 103 11.499 -1.446 5.924 1.00 0.00 N ATOM 1542 CA HIS A 103 11.169 -1.243 4.527 1.00 0.00 C ATOM 1543 C HIS A 103 10.184 -0.089 4.352 1.00 0.00 C ATOM 1544 O HIS A 103 10.283 0.679 3.396 1.00 0.00 O ATOM 1545 CB HIS A 103 10.590 -2.534 3.949 1.00 0.00 C ATOM 1546 CG HIS A 103 11.208 -2.940 2.645 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.440 -4.260 2.345 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.624 -2.170 1.609 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.984 -4.269 1.141 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.115 -3.024 0.657 1.00 0.00 N ATOM 0 H HIS A 103 11.150 -2.320 6.318 1.00 0.00 H new ATOM 0 HA HIS A 103 12.080 -0.981 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.726 -3.339 4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.516 -2.410 3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.577 -1.093 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.284 -5.163 0.614 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.506 -2.763 -0.248 1.00 0.00 H new ATOM 1558 N MET A 104 9.243 0.035 5.284 1.00 0.00 N ATOM 1559 CA MET A 104 8.244 1.100 5.230 1.00 0.00 C ATOM 1560 C MET A 104 8.904 2.477 5.255 1.00 0.00 C ATOM 1561 O MET A 104 8.418 3.416 4.628 1.00 0.00 O ATOM 1562 CB MET A 104 7.263 0.971 6.395 1.00 0.00 C ATOM 1563 CG MET A 104 7.879 1.325 7.734 1.00 0.00 C ATOM 1564 SD MET A 104 6.852 2.450 8.695 1.00 0.00 S ATOM 1565 CE MET A 104 5.257 1.660 8.519 1.00 0.00 C ATOM 0 H MET A 104 9.151 -0.588 6.086 1.00 0.00 H new ATOM 0 HA MET A 104 7.699 0.998 4.292 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.406 1.619 6.214 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.887 -0.051 6.434 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.044 0.412 8.306 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.856 1.781 7.571 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.552 2.103 9.222 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.892 1.800 7.502 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.354 0.594 8.726 1.00 0.00 H new ATOM 1575 N LEU A 105 10.003 2.597 5.999 1.00 0.00 N ATOM 1576 CA LEU A 105 10.735 3.856 6.080 1.00 0.00 C ATOM 1577 C LEU A 105 11.739 3.948 4.947 1.00 0.00 C ATOM 1578 O LEU A 105 12.339 4.997 4.713 1.00 0.00 O ATOM 1579 CB LEU A 105 11.482 3.969 7.413 1.00 0.00 C ATOM 1580 CG LEU A 105 10.693 3.545 8.650 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.606 3.493 9.866 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.540 4.498 8.893 1.00 0.00 C ATOM 0 H LEU A 105 10.403 1.839 6.552 1.00 0.00 H new ATOM 0 HA LEU A 105 10.013 4.669 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.386 3.362 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.800 5.003 7.544 1.00 0.00 H new ATOM 0 HG LEU A 105 10.286 2.548 8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.030 3.189 10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.406 2.773 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.037 4.479 10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.987 4.182 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.927 5.505 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.875 4.493 8.029 1.00 0.00 H new ATOM 1594 N GLU A 106 11.934 2.828 4.268 1.00 0.00 N ATOM 1595 CA GLU A 106 12.929 2.745 3.218 1.00 0.00 C ATOM 1596 C GLU A 106 12.305 2.739 1.826 1.00 0.00 C ATOM 1597 O GLU A 106 13.015 2.822 0.824 1.00 0.00 O ATOM 1598 CB GLU A 106 13.763 1.479 3.425 1.00 0.00 C ATOM 1599 CG GLU A 106 14.835 1.637 4.482 1.00 0.00 C ATOM 1600 CD GLU A 106 15.762 2.805 4.212 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.491 2.761 3.199 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.760 3.763 5.011 1.00 0.00 O ATOM 0 H GLU A 106 11.414 1.965 4.428 1.00 0.00 H new ATOM 0 HA GLU A 106 13.560 3.632 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.103 0.659 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.231 1.202 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.362 1.772 5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.421 0.720 4.538 1.00 0.00 H new ATOM 1609 N SER A 107 10.982 2.645 1.765 1.00 0.00 N ATOM 1610 CA SER A 107 10.287 2.610 0.480 1.00 0.00 C ATOM 1611 C SER A 107 8.924 3.296 0.559 1.00 0.00 C ATOM 1612 O SER A 107 8.134 3.021 1.462 1.00 0.00 O ATOM 1613 CB SER A 107 10.112 1.164 0.022 1.00 0.00 C ATOM 1614 OG SER A 107 10.179 1.062 -1.390 1.00 0.00 O ATOM 0 H SER A 107 10.372 2.592 2.581 1.00 0.00 H new ATOM 0 HA SER A 107 10.895 3.153 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.886 0.541 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.153 0.783 0.372 1.00 0.00 H new ATOM 0 HG SER A 107 10.066 0.126 -1.656 1.00 0.00 H new ATOM 1620 N PRO A 108 8.622 4.190 -0.404 1.00 0.00 N ATOM 1621 CA PRO A 108 7.342 4.909 -0.444 1.00 0.00 C ATOM 1622 C PRO A 108 6.177 3.995 -0.812 1.00 0.00 C ATOM 1623 O PRO A 108 5.038 4.443 -0.940 1.00 0.00 O ATOM 1624 CB PRO A 108 7.559 5.963 -1.530 1.00 0.00 C ATOM 1625 CG PRO A 108 8.604 5.383 -2.417 1.00 0.00 C ATOM 1626 CD PRO A 108 9.505 4.576 -1.522 1.00 0.00 C ATOM 0 HA PRO A 108 7.079 5.328 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.639 6.161 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.885 6.911 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.157 4.756 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.162 6.168 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.906 3.703 -2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.357 5.161 -1.177 1.00 0.00 H new ATOM 1634 N GLU A 109 6.474 2.712 -0.984 1.00 0.00 N ATOM 1635 CA GLU A 109 5.458 1.724 -1.330 1.00 0.00 C ATOM 1636 C GLU A 109 5.465 0.574 -0.334 1.00 0.00 C ATOM 1637 O GLU A 109 4.509 -0.195 -0.257 1.00 0.00 O ATOM 1638 CB GLU A 109 5.697 1.190 -2.743 1.00 0.00 C ATOM 1639 CG GLU A 109 5.727 2.276 -3.807 1.00 0.00 C ATOM 1640 CD GLU A 109 5.382 1.749 -5.186 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.199 1.427 -5.420 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.297 1.658 -6.033 1.00 0.00 O ATOM 0 H GLU A 109 7.415 2.330 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 109 4.483 2.210 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.642 0.648 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.913 0.473 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.024 3.064 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.719 2.728 -3.832 1.00 0.00 H new ATOM 1649 N SER A 110 6.547 0.462 0.431 1.00 0.00 N ATOM 1650 CA SER A 110 6.649 -0.581 1.441 1.00 0.00 C ATOM 1651 C SER A 110 5.709 -0.296 2.585 1.00 0.00 C ATOM 1652 O SER A 110 4.988 -1.172 3.041 1.00 0.00 O ATOM 1653 CB SER A 110 8.071 -0.694 1.974 1.00 0.00 C ATOM 1654 OG SER A 110 8.628 -1.956 1.658 1.00 0.00 O ATOM 0 H SER A 110 7.359 1.077 0.370 1.00 0.00 H new ATOM 0 HA SER A 110 6.376 -1.525 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.688 0.097 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.071 -0.552 3.055 1.00 0.00 H new ATOM 0 HG SER A 110 8.939 -1.953 0.729 1.00 0.00 H new ATOM 1660 N LEU A 111 5.722 0.937 3.043 1.00 0.00 N ATOM 1661 CA LEU A 111 4.859 1.339 4.130 1.00 0.00 C ATOM 1662 C LEU A 111 3.406 1.012 3.821 1.00 0.00 C ATOM 1663 O LEU A 111 2.604 0.796 4.727 1.00 0.00 O ATOM 1664 CB LEU A 111 5.010 2.829 4.379 1.00 0.00 C ATOM 1665 CG LEU A 111 4.256 3.338 5.594 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.109 4.330 6.356 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.932 3.953 5.174 1.00 0.00 C ATOM 0 H LEU A 111 6.321 1.678 2.679 1.00 0.00 H new ATOM 0 HA LEU A 111 5.151 0.788 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.068 3.060 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.664 3.370 3.498 1.00 0.00 H new ATOM 0 HG LEU A 111 4.038 2.501 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.559 4.690 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.028 3.844 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.354 5.172 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.402 4.314 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.117 4.786 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.326 3.201 4.669 1.00 0.00 H new ATOM 1679 N ARG A 112 3.075 0.980 2.538 1.00 0.00 N ATOM 1680 CA ARG A 112 1.714 0.698 2.107 1.00 0.00 C ATOM 1681 C ARG A 112 1.487 -0.804 1.925 1.00 0.00 C ATOM 1682 O ARG A 112 0.526 -1.360 2.452 1.00 0.00 O ATOM 1683 CB ARG A 112 1.412 1.451 0.809 1.00 0.00 C ATOM 1684 CG ARG A 112 0.667 0.624 -0.220 1.00 0.00 C ATOM 1685 CD ARG A 112 0.271 1.456 -1.429 1.00 0.00 C ATOM 1686 NE ARG A 112 0.441 0.719 -2.679 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.191 1.025 -3.808 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -1.032 2.049 -3.847 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.019 0.304 -4.901 1.00 0.00 N ATOM 0 H ARG A 112 3.732 1.146 1.776 1.00 0.00 H new ATOM 0 HA ARG A 112 1.031 1.041 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.824 2.338 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.350 1.796 0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.293 -0.209 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.226 0.195 0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.769 1.767 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.874 2.363 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 112 1.081 -0.075 -2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.197 2.606 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.514 2.280 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.665 -0.485 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.466 0.538 -5.767 1.00 0.00 H new ATOM 1703 N SER A 113 2.362 -1.449 1.159 1.00 0.00 N ATOM 1704 CA SER A 113 2.244 -2.880 0.901 1.00 0.00 C ATOM 1705 C SER A 113 2.413 -3.678 2.189 1.00 0.00 C ATOM 1706 O SER A 113 1.803 -4.733 2.362 1.00 0.00 O ATOM 1707 CB SER A 113 3.284 -3.324 -0.127 1.00 0.00 C ATOM 1708 OG SER A 113 3.212 -4.721 -0.355 1.00 0.00 O ATOM 0 H SER A 113 3.160 -1.003 0.706 1.00 0.00 H new ATOM 0 HA SER A 113 1.248 -3.071 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.124 -2.791 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.282 -3.061 0.224 1.00 0.00 H new ATOM 0 HG SER A 113 3.886 -4.980 -1.017 1.00 0.00 H new ATOM 1714 N LYS A 114 3.261 -3.175 3.078 1.00 0.00 N ATOM 1715 CA LYS A 114 3.502 -3.827 4.357 1.00 0.00 C ATOM 1716 C LYS A 114 2.374 -3.523 5.330 1.00 0.00 C ATOM 1717 O LYS A 114 2.062 -4.336 6.199 1.00 0.00 O ATOM 1718 CB LYS A 114 4.844 -3.389 4.948 1.00 0.00 C ATOM 1719 CG LYS A 114 6.031 -3.698 4.051 1.00 0.00 C ATOM 1720 CD LYS A 114 6.242 -5.196 3.894 1.00 0.00 C ATOM 1721 CE LYS A 114 6.658 -5.556 2.478 1.00 0.00 C ATOM 1722 NZ LYS A 114 8.058 -5.138 2.186 1.00 0.00 N ATOM 0 H LYS A 114 3.793 -2.317 2.935 1.00 0.00 H new ATOM 0 HA LYS A 114 3.537 -4.903 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.814 -2.317 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.987 -3.882 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.873 -3.248 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.930 -3.246 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.006 -5.532 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.322 -5.722 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.563 -6.632 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.982 -5.079 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.390 -5.614 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.091 -4.108 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.672 -5.400 2.984 1.00 0.00 H new ATOM 1736 N VAL A 115 1.761 -2.350 5.183 1.00 0.00 N ATOM 1737 CA VAL A 115 0.634 -1.988 6.034 1.00 0.00 C ATOM 1738 C VAL A 115 -0.567 -2.856 5.673 1.00 0.00 C ATOM 1739 O VAL A 115 -1.157 -3.505 6.536 1.00 0.00 O ATOM 1740 CB VAL A 115 0.274 -0.484 5.925 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.234 -0.273 5.864 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.860 0.285 7.095 1.00 0.00 C ATOM 0 H VAL A 115 2.022 -1.645 4.493 1.00 0.00 H new ATOM 0 HA VAL A 115 0.921 -2.166 7.070 1.00 0.00 H new ATOM 0 HB VAL A 115 0.704 -0.107 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.449 0.793 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.638 -0.788 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.694 -0.673 6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.599 1.339 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.458 -0.110 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.945 0.178 7.094 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.877 -2.911 4.380 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.970 -3.739 3.885 1.00 0.00 C ATOM 1754 C ASP A 116 -1.755 -5.196 4.281 1.00 0.00 C ATOM 1755 O ASP A 116 -2.697 -5.898 4.649 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.072 -3.621 2.362 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.455 -3.959 1.843 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.839 -5.146 1.905 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.155 -3.038 1.374 1.00 0.00 O ATOM 0 H ASP A 116 -0.384 -2.390 3.655 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.900 -3.389 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.813 -2.606 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.342 -4.286 1.900 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.502 -5.640 4.215 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.153 -7.000 4.602 1.00 0.00 C ATOM 1766 C GLU A 117 -0.212 -7.138 6.115 1.00 0.00 C ATOM 1767 O GLU A 117 -0.503 -8.212 6.642 1.00 0.00 O ATOM 1768 CB GLU A 117 1.245 -7.363 4.095 1.00 0.00 C ATOM 1769 CG GLU A 117 1.262 -7.861 2.659 1.00 0.00 C ATOM 1770 CD GLU A 117 1.471 -9.359 2.563 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.461 -9.859 3.138 1.00 0.00 O ATOM 1772 OE2 GLU A 117 0.646 -10.033 1.911 1.00 0.00 O ATOM 0 H GLU A 117 0.286 -5.076 3.897 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.871 -7.685 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.890 -6.488 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.669 -8.131 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.321 -7.598 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.055 -7.352 2.111 1.00 0.00 H new ATOM 1779 N ALA A 118 0.052 -6.035 6.811 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.014 -6.026 8.263 1.00 0.00 C ATOM 1781 C ALA A 118 -1.462 -6.108 8.714 1.00 0.00 C ATOM 1782 O ALA A 118 -1.751 -6.550 9.823 1.00 0.00 O ATOM 1783 CB ALA A 118 0.661 -4.791 8.837 1.00 0.00 C ATOM 0 H ALA A 118 0.312 -5.142 6.392 1.00 0.00 H new ATOM 0 HA ALA A 118 0.523 -6.897 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.595 -4.813 9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.709 -4.776 8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.164 -3.897 8.461 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.370 -5.699 7.834 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.791 -5.793 8.115 1.00 0.00 C ATOM 1791 C VAL A 119 -4.192 -7.244 8.229 1.00 0.00 C ATOM 1792 O VAL A 119 -4.861 -7.648 9.175 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.638 -5.141 7.025 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.085 -5.077 7.479 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.094 -3.765 6.686 1.00 0.00 C ATOM 0 H VAL A 119 -2.144 -5.300 6.923 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.969 -5.265 9.052 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.592 -5.741 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.690 -4.612 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.452 -6.086 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.154 -4.488 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.708 -3.313 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.115 -3.136 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.068 -3.857 6.331 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.767 -8.025 7.248 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.026 -9.449 7.243 1.00 0.00 C ATOM 1807 C ALA A 120 -3.445 -10.077 8.503 1.00 0.00 C ATOM 1808 O ALA A 120 -3.933 -11.097 8.996 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.414 -10.073 6.000 1.00 0.00 C ATOM 0 H ALA A 120 -3.238 -7.690 6.442 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.101 -9.629 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.610 -11.145 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.855 -9.621 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.338 -9.901 5.999 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.412 -9.429 9.031 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.741 -9.879 10.238 1.00 0.00 C ATOM 1817 C VAL A 121 -2.466 -9.371 11.483 1.00 0.00 C ATOM 1818 O VAL A 121 -2.464 -10.025 12.526 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.276 -9.396 10.246 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.306 -9.418 11.647 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.562 -10.241 9.299 1.00 0.00 C ATOM 0 H VAL A 121 -2.019 -8.577 8.631 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.756 -10.969 10.250 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.258 -8.362 9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.339 -9.072 11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.278 -8.763 12.294 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.275 -10.435 12.038 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.594 -9.890 9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.529 -11.283 9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.165 -10.156 8.288 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.091 -8.205 11.361 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.841 -7.617 12.465 1.00 0.00 C ATOM 1833 C LEU A 122 -5.161 -8.358 12.645 1.00 0.00 C ATOM 1834 O LEU A 122 -5.596 -8.615 13.767 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.079 -6.120 12.210 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.544 -5.681 12.124 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.931 -4.903 13.370 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.779 -4.845 10.878 1.00 0.00 C ATOM 0 H LEU A 122 -3.093 -7.647 10.507 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.263 -7.714 13.384 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.596 -5.554 13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.583 -5.846 11.279 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.171 -6.570 12.060 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.974 -4.596 13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.798 -5.534 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.298 -4.020 13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.825 -4.543 10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.146 -3.958 10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.534 -5.433 9.994 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.782 -8.714 11.525 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.037 -9.451 11.537 1.00 0.00 C ATOM 1852 C GLN A 123 -6.824 -10.842 12.126 1.00 0.00 C ATOM 1853 O GLN A 123 -7.716 -11.406 12.762 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.594 -9.558 10.114 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.146 -8.249 9.573 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.632 -8.319 9.281 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.458 -7.928 10.108 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.980 -8.817 8.101 1.00 0.00 N ATOM 0 H GLN A 123 -5.431 -8.501 10.591 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.756 -8.916 12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.805 -9.911 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.384 -10.309 10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.958 -7.454 10.295 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.612 -7.983 8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.262 -9.129 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.966 -8.888 7.848 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.624 -11.377 11.921 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.262 -12.693 12.437 1.00 0.00 C ATOM 1869 C ALA A 124 -4.911 -12.626 13.917 1.00 0.00 C ATOM 1870 O ALA A 124 -5.401 -13.413 14.713 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.096 -13.259 11.641 1.00 0.00 C ATOM 0 H ALA A 124 -4.881 -10.915 11.397 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.123 -13.352 12.328 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.831 -14.241 12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.381 -13.350 10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.239 -12.591 11.727 1.00 0.00 H new