USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 HIS : no HD1:sc= 0.747 K(o=1.7,f=-3.8) USER MOD Set 2.2: A 110 SER OG : rot 138:sc= 0.905 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -1.02 USER MOD Set 3.2: A 57 MET CE :methyl 178:sc= -4.11! (180deg=-4.33!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -34:sc= 0.211 USER MOD Single : A 66 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.2!) USER MOD Single : A 69 MET CE :methyl 157:sc= -1.54 (180deg=-2.21!) USER MOD Single : A 79 GLN : amide:sc=-0.00198 K(o=-0.002,f=-1.2) USER MOD Single : A 81 MET CE :methyl -148:sc= -1.45 (180deg=-3.96!) USER MOD Single : A 82 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-13!) USER MOD Single : A 84 THR OG1 : rot -38:sc= 1.02 USER MOD Single : A 88 LYS NZ :NH3+ -120:sc= 0.561 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -90:sc= -3.32! USER MOD Single : A 92 MET CE :methyl -159:sc= -1.51 (180deg=-2.43!) USER MOD Single : A 98 ASN : amide:sc= -0.485 X(o=-0.48,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -164:sc= -10.6! (180deg=-11.2!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.923 9.634 3.733 1.00 0.00 N ATOM 766 CA LEU A 53 2.038 9.206 4.575 1.00 0.00 C ATOM 767 C LEU A 53 2.754 8.006 3.959 1.00 0.00 C ATOM 768 O LEU A 53 2.114 7.063 3.492 1.00 0.00 O ATOM 769 CB LEU A 53 1.528 8.832 5.969 1.00 0.00 C ATOM 770 CG LEU A 53 2.065 9.652 7.152 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.370 9.064 7.661 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.248 11.116 6.788 1.00 0.00 C ATOM 0 HA LEU A 53 2.743 10.034 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.441 8.915 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.767 7.784 6.147 1.00 0.00 H new ATOM 0 HG LEU A 53 1.322 9.602 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.735 9.658 8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.203 8.038 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.110 9.073 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.629 11.661 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.957 11.200 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.290 11.539 6.487 1.00 0.00 H new ATOM 784 N THR A 54 4.081 8.055 3.957 1.00 0.00 N ATOM 785 CA THR A 54 4.902 6.969 3.430 1.00 0.00 C ATOM 786 C THR A 54 6.370 7.227 3.740 1.00 0.00 C ATOM 787 O THR A 54 6.705 8.207 4.405 1.00 0.00 O ATOM 788 CB THR A 54 4.711 6.801 1.917 1.00 0.00 C ATOM 789 OG1 THR A 54 3.702 7.669 1.430 1.00 0.00 O ATOM 790 CG2 THR A 54 4.341 5.388 1.512 1.00 0.00 C ATOM 0 H THR A 54 4.617 8.844 4.318 1.00 0.00 H new ATOM 0 HA THR A 54 4.583 6.046 3.914 1.00 0.00 H new ATOM 0 HB THR A 54 5.679 7.046 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.601 7.543 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.221 5.339 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.130 4.703 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.405 5.105 1.994 1.00 0.00 H new ATOM 798 N ALA A 55 7.239 6.354 3.248 1.00 0.00 N ATOM 799 CA ALA A 55 8.674 6.479 3.490 1.00 0.00 C ATOM 800 C ALA A 55 9.180 7.888 3.190 1.00 0.00 C ATOM 801 O ALA A 55 9.970 8.444 3.951 1.00 0.00 O ATOM 802 CB ALA A 55 9.438 5.462 2.663 1.00 0.00 C ATOM 0 H ALA A 55 6.977 5.550 2.678 1.00 0.00 H new ATOM 0 HA ALA A 55 8.846 6.284 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.506 5.567 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.118 4.457 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.240 5.631 1.605 1.00 0.00 H new ATOM 808 N SER A 56 8.731 8.456 2.074 1.00 0.00 N ATOM 809 CA SER A 56 9.149 9.797 1.678 1.00 0.00 C ATOM 810 C SER A 56 8.757 10.827 2.734 1.00 0.00 C ATOM 811 O SER A 56 9.574 11.651 3.145 1.00 0.00 O ATOM 812 CB SER A 56 8.530 10.172 0.329 1.00 0.00 C ATOM 813 OG SER A 56 8.925 9.263 -0.684 1.00 0.00 O ATOM 0 H SER A 56 8.079 8.009 1.429 1.00 0.00 H new ATOM 0 HA SER A 56 10.235 9.796 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.443 10.178 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.834 11.182 0.054 1.00 0.00 H new ATOM 0 HG SER A 56 8.515 9.523 -1.535 1.00 0.00 H new ATOM 819 N MET A 57 7.503 10.766 3.173 1.00 0.00 N ATOM 820 CA MET A 57 7.000 11.680 4.193 1.00 0.00 C ATOM 821 C MET A 57 7.829 11.568 5.463 1.00 0.00 C ATOM 822 O MET A 57 8.159 12.567 6.101 1.00 0.00 O ATOM 823 CB MET A 57 5.540 11.353 4.510 1.00 0.00 C ATOM 824 CG MET A 57 4.545 11.880 3.486 1.00 0.00 C ATOM 825 SD MET A 57 5.253 12.074 1.837 1.00 0.00 S ATOM 826 CE MET A 57 5.104 10.403 1.208 1.00 0.00 C ATOM 0 H MET A 57 6.815 10.091 2.837 1.00 0.00 H new ATOM 0 HA MET A 57 7.072 12.698 3.811 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.430 10.271 4.584 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.291 11.766 5.488 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.695 11.199 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.161 12.842 3.825 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.468 10.367 0.181 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.695 9.727 1.826 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.058 10.097 1.233 1.00 0.00 H new ATOM 836 N LEU A 58 8.153 10.334 5.819 1.00 0.00 N ATOM 837 CA LEU A 58 8.943 10.052 7.007 1.00 0.00 C ATOM 838 C LEU A 58 10.329 10.670 6.902 1.00 0.00 C ATOM 839 O LEU A 58 10.821 11.285 7.847 1.00 0.00 O ATOM 840 CB LEU A 58 9.056 8.543 7.183 1.00 0.00 C ATOM 841 CG LEU A 58 7.719 7.806 7.176 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.908 6.360 6.745 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.064 7.893 8.543 1.00 0.00 C ATOM 0 H LEU A 58 7.877 9.504 5.295 1.00 0.00 H new ATOM 0 HA LEU A 58 8.446 10.491 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.682 8.142 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.566 8.336 8.124 1.00 0.00 H new ATOM 0 HG LEU A 58 7.058 8.284 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.944 5.851 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.332 6.332 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.584 5.859 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.111 7.363 8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.717 7.439 9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.893 8.939 8.799 1.00 0.00 H new ATOM 855 N ALA A 59 10.950 10.502 5.742 1.00 0.00 N ATOM 856 CA ALA A 59 12.279 11.047 5.497 1.00 0.00 C ATOM 857 C ALA A 59 12.270 12.570 5.589 1.00 0.00 C ATOM 858 O ALA A 59 13.320 13.202 5.692 1.00 0.00 O ATOM 859 CB ALA A 59 12.792 10.601 4.136 1.00 0.00 C ATOM 0 H ALA A 59 10.553 9.991 4.953 1.00 0.00 H new ATOM 0 HA ALA A 59 12.950 10.665 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.786 11.016 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.844 9.513 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.115 10.954 3.358 1.00 0.00 H new ATOM 865 N SER A 60 11.074 13.152 5.552 1.00 0.00 N ATOM 866 CA SER A 60 10.924 14.600 5.635 1.00 0.00 C ATOM 867 C SER A 60 11.123 15.087 7.067 1.00 0.00 C ATOM 868 O SER A 60 11.176 16.289 7.322 1.00 0.00 O ATOM 869 CB SER A 60 9.544 15.021 5.131 1.00 0.00 C ATOM 870 OG SER A 60 9.460 16.429 4.983 1.00 0.00 O ATOM 0 H SER A 60 10.195 12.642 5.465 1.00 0.00 H new ATOM 0 HA SER A 60 11.688 15.055 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.341 14.539 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.779 14.680 5.829 1.00 0.00 H new ATOM 0 HG SER A 60 9.997 16.864 5.678 1.00 0.00 H new ATOM 876 N ALA A 61 11.261 14.143 7.995 1.00 0.00 N ATOM 877 CA ALA A 61 11.460 14.473 9.401 1.00 0.00 C ATOM 878 C ALA A 61 12.610 13.661 10.000 1.00 0.00 C ATOM 879 O ALA A 61 12.416 12.916 10.961 1.00 0.00 O ATOM 880 CB ALA A 61 10.176 14.227 10.181 1.00 0.00 C ATOM 0 H ALA A 61 11.238 13.143 7.797 1.00 0.00 H new ATOM 0 HA ALA A 61 11.722 15.529 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.334 14.476 11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.379 14.851 9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.894 13.178 10.096 1.00 0.00 H new ATOM 946 N GLN A 66 11.102 10.787 12.425 1.00 0.00 N ATOM 947 CA GLN A 66 11.602 9.748 11.531 1.00 0.00 C ATOM 948 C GLN A 66 11.316 8.367 12.102 1.00 0.00 C ATOM 949 O GLN A 66 11.296 7.373 11.375 1.00 0.00 O ATOM 950 CB GLN A 66 13.100 9.910 11.302 1.00 0.00 C ATOM 951 CG GLN A 66 13.467 10.073 9.839 1.00 0.00 C ATOM 952 CD GLN A 66 14.892 9.648 9.538 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.174 9.089 8.479 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.801 9.914 10.471 1.00 0.00 N ATOM 0 HA GLN A 66 11.086 9.850 10.576 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.454 10.778 11.858 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.619 9.040 11.705 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.781 9.485 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.335 11.116 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.524 10.379 11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.776 9.653 10.323 1.00 0.00 H new ATOM 963 N LYS A 67 11.092 8.320 13.409 1.00 0.00 N ATOM 964 CA LYS A 67 10.801 7.068 14.096 1.00 0.00 C ATOM 965 C LYS A 67 9.577 7.213 14.997 1.00 0.00 C ATOM 966 O LYS A 67 9.439 6.497 15.989 1.00 0.00 O ATOM 967 CB LYS A 67 12.013 6.627 14.921 1.00 0.00 C ATOM 968 CG LYS A 67 12.344 7.565 16.072 1.00 0.00 C ATOM 969 CD LYS A 67 12.962 6.816 17.242 1.00 0.00 C ATOM 970 CE LYS A 67 13.978 7.674 17.979 1.00 0.00 C ATOM 971 NZ LYS A 67 14.406 7.050 19.261 1.00 0.00 N ATOM 0 H LYS A 67 11.106 9.139 14.017 1.00 0.00 H new ATOM 0 HA LYS A 67 10.585 6.308 13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.827 5.630 15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.880 6.552 14.265 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.033 8.336 15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.437 8.072 16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.177 6.506 17.932 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.445 5.908 16.880 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.849 7.832 17.343 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.548 8.655 18.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.099 7.666 19.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.579 6.923 19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.840 6.125 19.069 1.00 0.00 H new ATOM 985 N GLN A 68 8.685 8.136 14.641 1.00 0.00 N ATOM 986 CA GLN A 68 7.488 8.380 15.440 1.00 0.00 C ATOM 987 C GLN A 68 6.217 8.404 14.588 1.00 0.00 C ATOM 988 O GLN A 68 5.269 7.665 14.858 1.00 0.00 O ATOM 989 CB GLN A 68 7.625 9.702 16.197 1.00 0.00 C ATOM 990 CG GLN A 68 8.684 9.672 17.287 1.00 0.00 C ATOM 991 CD GLN A 68 8.162 10.168 18.621 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.199 10.931 18.681 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.800 9.734 19.703 1.00 0.00 N ATOM 0 H GLN A 68 8.768 8.723 13.811 1.00 0.00 H new ATOM 0 HA GLN A 68 7.396 7.554 16.146 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.868 10.494 15.488 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.664 9.957 16.643 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.053 8.653 17.402 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.532 10.286 16.982 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.594 9.102 19.607 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.495 10.033 20.629 1.00 0.00 H new ATOM 1002 N MET A 69 6.188 9.273 13.580 1.00 0.00 N ATOM 1003 CA MET A 69 5.000 9.433 12.738 1.00 0.00 C ATOM 1004 C MET A 69 4.862 8.314 11.704 1.00 0.00 C ATOM 1005 O MET A 69 4.134 8.457 10.721 1.00 0.00 O ATOM 1006 CB MET A 69 5.033 10.790 12.031 1.00 0.00 C ATOM 1007 CG MET A 69 6.027 10.861 10.883 1.00 0.00 C ATOM 1008 SD MET A 69 5.289 11.495 9.365 1.00 0.00 S ATOM 1009 CE MET A 69 6.627 12.500 8.731 1.00 0.00 C ATOM 0 H MET A 69 6.970 9.876 13.325 1.00 0.00 H new ATOM 0 HA MET A 69 4.133 9.379 13.396 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.037 11.015 11.651 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.278 11.563 12.760 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.863 11.499 11.170 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.434 9.867 10.697 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.511 12.624 7.654 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.608 13.478 9.213 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.579 12.012 8.939 1.00 0.00 H new ATOM 1019 N LEU A 70 5.553 7.205 11.929 1.00 0.00 N ATOM 1020 CA LEU A 70 5.481 6.063 11.020 1.00 0.00 C ATOM 1021 C LEU A 70 4.351 5.139 11.431 1.00 0.00 C ATOM 1022 O LEU A 70 3.722 4.489 10.598 1.00 0.00 O ATOM 1023 CB LEU A 70 6.802 5.287 11.011 1.00 0.00 C ATOM 1024 CG LEU A 70 7.798 5.700 12.094 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.906 4.666 12.228 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.369 7.072 11.780 1.00 0.00 C ATOM 0 H LEU A 70 6.169 7.069 12.730 1.00 0.00 H new ATOM 0 HA LEU A 70 5.293 6.442 10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.584 4.225 11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.274 5.413 10.037 1.00 0.00 H new ATOM 0 HG LEU A 70 7.276 5.754 13.049 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.604 4.979 13.004 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.474 3.702 12.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.435 4.575 11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.078 7.358 12.557 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.879 7.042 10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.561 7.802 11.740 1.00 0.00 H new ATOM 1038 N GLY A 71 4.112 5.076 12.733 1.00 0.00 N ATOM 1039 CA GLY A 71 3.047 4.249 13.247 1.00 0.00 C ATOM 1040 C GLY A 71 2.174 5.004 14.228 1.00 0.00 C ATOM 1041 O GLY A 71 1.355 4.408 14.928 1.00 0.00 O ATOM 0 H GLY A 71 4.640 5.585 13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.436 3.887 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.471 3.373 13.737 1.00 0.00 H new ATOM 1045 N GLU A 72 2.341 6.327 14.266 1.00 0.00 N ATOM 1046 CA GLU A 72 1.566 7.165 15.178 1.00 0.00 C ATOM 1047 C GLU A 72 0.898 8.333 14.449 1.00 0.00 C ATOM 1048 O GLU A 72 0.140 9.093 15.052 1.00 0.00 O ATOM 1049 CB GLU A 72 2.463 7.697 16.298 1.00 0.00 C ATOM 1050 CG GLU A 72 3.172 6.604 17.080 1.00 0.00 C ATOM 1051 CD GLU A 72 2.987 6.744 18.579 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.796 7.885 19.051 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.034 5.713 19.282 1.00 0.00 O ATOM 0 H GLU A 72 3.002 6.837 13.680 1.00 0.00 H new ATOM 0 HA GLU A 72 0.779 6.543 15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.208 8.367 15.868 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.859 8.290 16.985 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.796 5.632 16.761 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.236 6.627 16.845 1.00 0.00 H new ATOM 1060 N ARG A 73 1.164 8.460 13.152 1.00 0.00 N ATOM 1061 CA ARG A 73 0.584 9.537 12.352 1.00 0.00 C ATOM 1062 C ARG A 73 -0.109 8.981 11.118 1.00 0.00 C ATOM 1063 O ARG A 73 -0.952 9.641 10.509 1.00 0.00 O ATOM 1064 CB ARG A 73 1.672 10.520 11.924 1.00 0.00 C ATOM 1065 CG ARG A 73 1.139 11.748 11.204 1.00 0.00 C ATOM 1066 CD ARG A 73 1.425 13.019 11.983 1.00 0.00 C ATOM 1067 NE ARG A 73 0.202 13.738 12.330 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.565 13.433 13.372 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.233 12.426 14.170 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.661 14.135 13.620 1.00 0.00 N ATOM 0 H ARG A 73 1.777 7.832 12.632 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.153 10.055 12.966 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.227 10.840 12.806 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.378 10.005 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.593 11.816 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.064 11.646 11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.970 12.771 12.894 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.071 13.668 11.392 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.080 14.520 11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.612 11.885 13.984 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.822 12.193 14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.918 14.912 13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.248 13.899 14.420 1.00 0.00 H new ATOM 1084 N LEU A 74 0.257 7.763 10.757 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.296 7.110 9.581 1.00 0.00 C ATOM 1086 C LEU A 74 -1.694 6.573 9.830 1.00 0.00 C ATOM 1087 O LEU A 74 -2.443 6.321 8.888 1.00 0.00 O ATOM 1088 CB LEU A 74 0.606 5.959 9.165 1.00 0.00 C ATOM 1089 CG LEU A 74 1.426 6.221 7.918 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.811 5.623 8.067 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.707 5.674 6.693 1.00 0.00 C ATOM 0 H LEU A 74 0.940 7.202 11.266 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.356 7.858 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.283 5.729 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.008 5.074 9.001 1.00 0.00 H new ATOM 0 HG LEU A 74 1.542 7.296 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.390 5.818 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.312 6.074 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.728 4.547 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.306 5.868 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.562 4.600 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.262 6.162 6.592 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.015 6.352 11.096 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.308 5.785 11.476 1.00 0.00 C ATOM 1105 C PHE A 75 -4.471 6.435 10.712 1.00 0.00 C ATOM 1106 O PHE A 75 -5.261 5.734 10.078 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.524 5.907 12.990 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.948 5.689 13.420 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.658 4.582 12.981 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.575 6.591 14.264 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.971 4.386 13.367 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.884 6.396 14.660 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.583 5.292 14.212 1.00 0.00 C ATOM 0 H PHE A 75 -1.398 6.556 11.882 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.292 4.730 11.204 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.886 5.184 13.498 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.204 6.897 13.314 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.180 3.865 12.330 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.034 7.457 14.617 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.517 3.526 13.009 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.361 7.106 15.319 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.606 5.137 14.522 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.610 7.777 10.765 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.709 8.477 10.086 1.00 0.00 C ATOM 1125 C PRO A 76 -5.701 8.261 8.576 1.00 0.00 C ATOM 1126 O PRO A 76 -6.690 8.534 7.897 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.458 9.954 10.412 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.593 9.940 11.623 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.738 8.714 11.497 1.00 0.00 C ATOM 0 HA PRO A 76 -6.680 8.111 10.420 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.967 10.463 9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.393 10.481 10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.981 10.840 11.677 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.193 9.907 12.532 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.817 8.918 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.450 8.320 12.472 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.578 7.777 8.054 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.437 7.562 6.622 1.00 0.00 C ATOM 1139 C LEU A 77 -4.676 6.104 6.235 1.00 0.00 C ATOM 1140 O LEU A 77 -5.100 5.820 5.115 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.047 8.010 6.170 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.990 9.363 5.444 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -4.092 10.297 5.926 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.629 10.009 5.646 1.00 0.00 C ATOM 0 H LEU A 77 -3.755 7.527 8.602 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.198 8.158 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.398 8.059 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.635 7.246 5.510 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.145 9.181 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.024 11.245 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.064 9.842 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.978 10.473 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.600 10.967 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.456 10.168 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.853 9.356 5.246 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.397 5.179 7.152 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.602 3.759 6.872 1.00 0.00 C ATOM 1158 C ILE A 78 -6.071 3.476 6.589 1.00 0.00 C ATOM 1159 O ILE A 78 -6.404 2.685 5.708 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.159 2.857 8.033 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.870 3.379 8.667 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.982 1.429 7.538 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.664 3.271 7.763 1.00 0.00 C ATOM 0 H ILE A 78 -4.033 5.383 8.083 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.988 3.532 6.000 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.932 2.868 8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.010 4.423 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.676 2.824 9.585 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.668 0.793 8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.927 1.063 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.224 1.407 6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.786 3.660 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.498 2.226 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.837 3.849 6.855 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.944 4.119 7.363 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.386 3.954 7.208 1.00 0.00 C ATOM 1177 C GLN A 79 -8.809 4.191 5.761 1.00 0.00 C ATOM 1178 O GLN A 79 -9.905 3.812 5.350 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.120 4.933 8.124 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.599 4.311 9.427 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.160 5.336 10.394 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.918 6.535 10.257 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.916 4.866 11.380 1.00 0.00 N ATOM 0 H GLN A 79 -6.674 4.762 8.107 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.645 2.931 7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.458 5.769 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.978 5.342 7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.364 3.566 9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.769 3.787 9.901 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.091 3.864 11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.322 5.507 12.062 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.932 4.833 5.003 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.185 5.124 3.597 1.00 0.00 C ATOM 1194 C ALA A 80 -7.817 3.935 2.716 1.00 0.00 C ATOM 1195 O ALA A 80 -8.465 3.675 1.702 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.398 6.352 3.168 1.00 0.00 C ATOM 0 H ALA A 80 -7.029 5.166 5.342 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.251 5.320 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.594 6.561 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.702 7.208 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.333 6.169 3.309 1.00 0.00 H new ATOM 1202 N MET A 81 -6.758 3.229 3.101 1.00 0.00 N ATOM 1203 CA MET A 81 -6.288 2.075 2.342 1.00 0.00 C ATOM 1204 C MET A 81 -7.188 0.868 2.574 1.00 0.00 C ATOM 1205 O MET A 81 -7.451 0.088 1.658 1.00 0.00 O ATOM 1206 CB MET A 81 -4.850 1.735 2.741 1.00 0.00 C ATOM 1207 CG MET A 81 -4.031 2.947 3.154 1.00 0.00 C ATOM 1208 SD MET A 81 -2.450 3.043 2.295 1.00 0.00 S ATOM 1209 CE MET A 81 -1.367 2.306 3.513 1.00 0.00 C ATOM 0 H MET A 81 -6.209 3.436 3.935 1.00 0.00 H new ATOM 0 HA MET A 81 -6.318 2.329 1.282 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.869 1.022 3.565 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.356 1.241 1.904 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.604 3.853 2.955 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.854 2.912 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.379 2.762 3.445 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.775 2.471 4.510 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.286 1.235 3.327 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.653 0.724 3.808 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.519 -0.386 4.182 1.00 0.00 C ATOM 1221 C HIS A 82 -9.849 0.132 4.721 1.00 0.00 C ATOM 1222 O HIS A 82 -9.953 1.301 5.083 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.824 -1.246 5.239 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.082 -2.413 4.667 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.277 -3.685 5.139 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.166 -2.444 3.670 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.484 -4.463 4.423 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.785 -3.754 3.529 1.00 0.00 N ATOM 0 H HIS A 82 -7.443 1.367 4.572 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.718 -0.992 3.298 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.128 -0.624 5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.569 -1.611 5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.806 -1.602 3.098 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.410 -5.534 4.544 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.099 -4.119 2.868 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.889 -0.724 4.779 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.205 -0.326 5.295 1.00 0.00 C ATOM 1238 C PRO A 83 -12.163 -0.031 6.792 1.00 0.00 C ATOM 1239 O PRO A 83 -12.668 -0.809 7.603 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.086 -1.544 5.011 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.138 -2.691 4.947 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.864 -2.141 4.368 1.00 0.00 C ATOM 0 HA PRO A 83 -12.569 0.590 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.828 -1.687 5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.631 -1.428 4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.967 -3.112 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.536 -3.492 4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.988 -2.658 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.837 -2.245 3.283 1.00 0.00 H new ATOM 1250 N THR A 84 -11.537 1.089 7.150 1.00 0.00 N ATOM 1251 CA THR A 84 -11.399 1.493 8.544 1.00 0.00 C ATOM 1252 C THR A 84 -10.880 0.341 9.402 1.00 0.00 C ATOM 1253 O THR A 84 -11.221 0.228 10.580 1.00 0.00 O ATOM 1254 CB THR A 84 -12.741 1.992 9.089 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.564 0.903 9.472 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.518 2.832 8.099 1.00 0.00 C ATOM 0 H THR A 84 -11.114 1.737 6.485 1.00 0.00 H new ATOM 0 HA THR A 84 -10.673 2.305 8.588 1.00 0.00 H new ATOM 0 HB THR A 84 -12.488 2.616 9.946 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.458 0.171 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.457 3.151 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.930 3.708 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.727 2.242 7.207 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.050 -0.509 8.803 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.492 -1.658 9.509 1.00 0.00 C ATOM 1266 C LEU A 85 -8.243 -1.270 10.295 1.00 0.00 C ATOM 1267 O LEU A 85 -7.572 -2.126 10.871 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.155 -2.777 8.520 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.343 -3.645 8.093 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -9.931 -4.594 6.977 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.894 -4.420 9.280 1.00 0.00 C ATOM 0 H LEU A 85 -9.750 -0.424 7.832 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.244 -2.014 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.711 -2.332 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.397 -3.420 8.967 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.131 -2.992 7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.785 -5.204 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.585 -4.018 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.127 -5.241 7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.737 -5.030 8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.115 -5.064 9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.226 -3.722 10.048 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.940 0.024 10.318 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.779 0.528 11.044 1.00 0.00 C ATOM 1285 C ALA A 86 -6.965 0.363 12.551 1.00 0.00 C ATOM 1286 O ALA A 86 -7.508 -0.641 13.011 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.531 1.986 10.684 1.00 0.00 C ATOM 0 H ALA A 86 -8.483 0.744 9.841 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.906 -0.056 10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.663 2.353 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.348 2.070 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.405 2.580 10.950 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.506 1.347 13.318 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.610 1.263 14.762 1.00 0.00 C ATOM 1295 C GLY A 87 -5.530 0.380 15.348 1.00 0.00 C ATOM 1296 O GLY A 87 -5.324 0.356 16.561 1.00 0.00 O ATOM 0 H GLY A 87 -6.066 2.197 12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.537 2.262 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.590 0.870 15.035 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.827 -0.332 14.474 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.755 -1.220 14.895 1.00 0.00 C ATOM 1302 C LYS A 88 -2.752 -1.462 13.770 1.00 0.00 C ATOM 1303 O LYS A 88 -1.598 -1.773 14.034 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.325 -2.558 15.370 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.263 -3.601 15.682 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.537 -3.285 16.982 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.086 -2.899 16.735 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.427 -2.393 17.971 1.00 0.00 N ATOM 0 H LYS A 88 -4.983 -0.310 13.466 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.234 -0.734 15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.928 -2.389 16.262 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.993 -2.951 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.727 -4.585 15.753 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.544 -3.646 14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.048 -2.471 17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.576 -4.152 17.641 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.539 -3.764 16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.041 -2.134 15.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.100 -1.418 17.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.106 -2.409 18.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.386 -2.998 18.203 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.191 -1.331 12.516 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.315 -1.576 11.380 1.00 0.00 C ATOM 1324 C ILE A 89 -0.987 -0.837 11.526 1.00 0.00 C ATOM 1325 O ILE A 89 -0.007 -1.400 12.008 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.978 -1.174 10.051 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.285 -1.948 9.860 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.025 -1.438 8.896 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.213 -1.339 8.832 1.00 0.00 C ATOM 0 H ILE A 89 -4.142 -1.058 12.268 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.124 -2.649 11.365 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.209 -0.109 10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.050 -2.970 9.563 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.805 -2.005 10.816 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.501 -1.151 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.115 -0.854 9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.775 -2.498 8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.116 -1.944 8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.479 -0.327 9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.713 -1.307 7.864 1.00 0.00 H new ATOM 1341 N THR A 90 -0.965 0.423 11.103 1.00 0.00 N ATOM 1342 CA THR A 90 0.245 1.241 11.172 1.00 0.00 C ATOM 1343 C THR A 90 0.810 1.262 12.587 1.00 0.00 C ATOM 1344 O THR A 90 2.024 1.209 12.779 1.00 0.00 O ATOM 1345 CB THR A 90 -0.066 2.658 10.683 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.632 2.925 9.479 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.281 3.758 11.662 1.00 0.00 C ATOM 0 H THR A 90 -1.773 0.903 10.707 1.00 0.00 H new ATOM 0 HA THR A 90 1.005 0.803 10.525 1.00 0.00 H new ATOM 0 HB THR A 90 -1.147 2.670 10.546 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.507 3.313 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.026 4.725 11.228 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.281 3.614 12.585 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.349 3.728 11.879 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.073 1.344 13.577 1.00 0.00 N ATOM 1356 CA GLY A 91 0.374 1.326 14.954 1.00 0.00 C ATOM 1357 C GLY A 91 1.186 0.083 15.245 1.00 0.00 C ATOM 1358 O GLY A 91 2.104 0.100 16.066 1.00 0.00 O ATOM 0 H GLY A 91 -1.082 1.422 13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.975 2.213 15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.488 1.366 15.620 1.00 0.00 H new ATOM 1362 N MET A 92 0.864 -0.992 14.533 1.00 0.00 N ATOM 1363 CA MET A 92 1.587 -2.250 14.678 1.00 0.00 C ATOM 1364 C MET A 92 2.849 -2.218 13.840 1.00 0.00 C ATOM 1365 O MET A 92 3.830 -2.889 14.151 1.00 0.00 O ATOM 1366 CB MET A 92 0.700 -3.434 14.273 1.00 0.00 C ATOM 1367 CG MET A 92 1.396 -4.493 13.446 1.00 0.00 C ATOM 1368 SD MET A 92 0.747 -6.143 13.753 1.00 0.00 S ATOM 1369 CE MET A 92 -0.561 -6.190 12.537 1.00 0.00 C ATOM 0 H MET A 92 0.107 -1.017 13.850 1.00 0.00 H new ATOM 0 HA MET A 92 1.863 -2.378 15.725 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.305 -3.899 15.176 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.153 -3.055 13.710 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.286 -4.254 12.388 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.463 -4.479 13.667 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.291 -6.950 12.817 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.050 -5.217 12.490 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.142 -6.432 11.561 1.00 0.00 H new ATOM 1379 N LEU A 93 2.823 -1.406 12.793 1.00 0.00 N ATOM 1380 CA LEU A 93 3.968 -1.257 11.910 1.00 0.00 C ATOM 1381 C LEU A 93 5.172 -0.732 12.676 1.00 0.00 C ATOM 1382 O LEU A 93 6.282 -0.670 12.150 1.00 0.00 O ATOM 1383 CB LEU A 93 3.619 -0.320 10.765 1.00 0.00 C ATOM 1384 CG LEU A 93 3.041 -1.002 9.522 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.091 -1.885 8.865 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.813 -1.816 9.888 1.00 0.00 C ATOM 0 H LEU A 93 2.016 -0.838 12.534 1.00 0.00 H new ATOM 0 HA LEU A 93 4.225 -2.235 11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.900 0.416 11.124 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.517 0.226 10.476 1.00 0.00 H new ATOM 0 HG LEU A 93 2.744 -0.232 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.664 -2.363 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.946 -1.276 8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.416 -2.650 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.414 -2.295 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.086 -2.579 10.617 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.056 -1.160 10.317 1.00 0.00 H new ATOM 1398 N LEU A 94 4.940 -0.351 13.924 1.00 0.00 N ATOM 1399 CA LEU A 94 6.009 0.093 14.794 1.00 0.00 C ATOM 1400 C LEU A 94 6.300 -1.003 15.810 1.00 0.00 C ATOM 1401 O LEU A 94 6.760 -0.740 16.922 1.00 0.00 O ATOM 1402 CB LEU A 94 5.619 1.396 15.495 1.00 0.00 C ATOM 1403 CG LEU A 94 6.208 2.673 14.882 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.680 2.806 15.240 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.019 2.689 13.368 1.00 0.00 C ATOM 0 H LEU A 94 4.015 -0.342 14.354 1.00 0.00 H new ATOM 0 HA LEU A 94 6.906 0.289 14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.532 1.479 15.492 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.931 1.336 16.538 1.00 0.00 H new ATOM 0 HG LEU A 94 5.673 3.527 15.297 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.081 3.717 14.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.788 2.851 16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.227 1.945 14.856 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.445 3.605 12.958 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.521 1.827 12.929 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.955 2.647 13.134 1.00 0.00 H new ATOM 1417 N GLU A 95 5.985 -2.240 15.416 1.00 0.00 N ATOM 1418 CA GLU A 95 6.171 -3.399 16.282 1.00 0.00 C ATOM 1419 C GLU A 95 6.035 -4.711 15.503 1.00 0.00 C ATOM 1420 O GLU A 95 6.162 -5.791 16.079 1.00 0.00 O ATOM 1421 CB GLU A 95 5.153 -3.370 17.429 1.00 0.00 C ATOM 1422 CG GLU A 95 3.790 -3.942 17.060 1.00 0.00 C ATOM 1423 CD GLU A 95 3.001 -4.395 18.273 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.628 -4.704 19.309 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.756 -4.446 18.187 1.00 0.00 O ATOM 0 H GLU A 95 5.599 -2.461 14.498 1.00 0.00 H new ATOM 0 HA GLU A 95 7.181 -3.350 16.689 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.555 -3.931 18.273 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.026 -2.340 17.763 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.218 -3.188 16.520 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.925 -4.786 16.383 1.00 0.00 H new ATOM 1432 N ILE A 96 5.809 -4.615 14.192 1.00 0.00 N ATOM 1433 CA ILE A 96 5.644 -5.809 13.355 1.00 0.00 C ATOM 1434 C ILE A 96 6.908 -6.669 13.330 1.00 0.00 C ATOM 1435 O ILE A 96 7.722 -6.642 14.254 1.00 0.00 O ATOM 1436 CB ILE A 96 5.299 -5.461 11.886 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.466 -4.741 11.199 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.026 -4.642 11.787 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.863 -3.435 11.841 1.00 0.00 C ATOM 0 H ILE A 96 5.736 -3.731 13.688 1.00 0.00 H new ATOM 0 HA ILE A 96 4.819 -6.357 13.810 1.00 0.00 H new ATOM 0 HB ILE A 96 5.126 -6.402 11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.331 -5.404 11.191 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.198 -4.553 10.159 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.818 -4.418 10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.196 -5.208 12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.149 -3.711 12.340 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.695 -2.997 11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.016 -2.749 11.825 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.166 -3.614 12.873 1.00 0.00 H new ATOM 1451 N ASP A 97 7.068 -7.407 12.231 1.00 0.00 N ATOM 1452 CA ASP A 97 8.227 -8.260 12.014 1.00 0.00 C ATOM 1453 C ASP A 97 9.522 -7.452 12.040 1.00 0.00 C ATOM 1454 O ASP A 97 10.612 -8.009 11.904 1.00 0.00 O ATOM 1455 CB ASP A 97 8.080 -8.956 10.660 1.00 0.00 C ATOM 1456 CG ASP A 97 8.779 -10.300 10.619 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.472 -11.155 11.476 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.632 -10.499 9.728 1.00 0.00 O ATOM 0 H ASP A 97 6.393 -7.427 11.467 1.00 0.00 H new ATOM 0 HA ASP A 97 8.276 -8.996 12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.022 -9.094 10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.488 -8.314 9.879 1.00 0.00 H new ATOM 1463 N ASN A 98 9.381 -6.133 12.189 1.00 0.00 N ATOM 1464 CA ASN A 98 10.513 -5.210 12.234 1.00 0.00 C ATOM 1465 C ASN A 98 11.059 -4.936 10.838 1.00 0.00 C ATOM 1466 O ASN A 98 11.593 -3.859 10.573 1.00 0.00 O ATOM 1467 CB ASN A 98 11.626 -5.731 13.147 1.00 0.00 C ATOM 1468 CG ASN A 98 11.256 -5.653 14.615 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.680 -4.743 15.327 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.461 -6.612 15.077 1.00 0.00 N ATOM 0 H ASN A 98 8.474 -5.675 12.282 1.00 0.00 H new ATOM 0 HA ASN A 98 10.145 -4.272 12.649 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.851 -6.765 12.887 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.534 -5.154 12.973 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.179 -6.613 16.057 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.133 -7.348 14.451 1.00 0.00 H new ATOM 1477 N SER A 99 10.909 -5.905 9.944 1.00 0.00 N ATOM 1478 CA SER A 99 11.353 -5.738 8.566 1.00 0.00 C ATOM 1479 C SER A 99 10.420 -4.785 7.835 1.00 0.00 C ATOM 1480 O SER A 99 10.835 -4.050 6.941 1.00 0.00 O ATOM 1481 CB SER A 99 11.407 -7.083 7.844 1.00 0.00 C ATOM 1482 OG SER A 99 11.874 -8.108 8.704 1.00 0.00 O ATOM 0 H SER A 99 10.485 -6.811 10.147 1.00 0.00 H new ATOM 0 HA SER A 99 12.359 -5.318 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.415 -7.340 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.062 -7.007 6.976 1.00 0.00 H new ATOM 0 HG SER A 99 11.897 -8.958 8.217 1.00 0.00 H new ATOM 1488 N GLU A 100 9.153 -4.795 8.242 1.00 0.00 N ATOM 1489 CA GLU A 100 8.155 -3.898 7.675 1.00 0.00 C ATOM 1490 C GLU A 100 8.315 -2.512 8.275 1.00 0.00 C ATOM 1491 O GLU A 100 7.921 -1.513 7.677 1.00 0.00 O ATOM 1492 CB GLU A 100 6.752 -4.441 7.927 1.00 0.00 C ATOM 1493 CG GLU A 100 6.698 -5.957 7.986 1.00 0.00 C ATOM 1494 CD GLU A 100 5.453 -6.526 7.334 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.395 -6.553 7.998 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.535 -6.944 6.160 1.00 0.00 O ATOM 0 H GLU A 100 8.794 -5.418 8.966 1.00 0.00 H new ATOM 0 HA GLU A 100 8.302 -3.831 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.375 -4.034 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.087 -4.091 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.580 -6.367 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.736 -6.277 9.027 1.00 0.00 H new ATOM 1503 N LEU A 101 8.935 -2.461 9.450 1.00 0.00 N ATOM 1504 CA LEU A 101 9.218 -1.198 10.112 1.00 0.00 C ATOM 1505 C LEU A 101 10.384 -0.503 9.420 1.00 0.00 C ATOM 1506 O LEU A 101 10.523 0.716 9.482 1.00 0.00 O ATOM 1507 CB LEU A 101 9.550 -1.430 11.590 1.00 0.00 C ATOM 1508 CG LEU A 101 10.185 -0.240 12.312 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.128 0.553 13.064 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.277 -0.711 13.260 1.00 0.00 C ATOM 0 H LEU A 101 9.251 -3.284 9.962 1.00 0.00 H new ATOM 0 HA LEU A 101 8.333 -0.564 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.634 -1.704 12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.226 -2.282 11.664 1.00 0.00 H new ATOM 0 HG LEU A 101 10.638 0.413 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.598 1.396 13.572 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.382 0.923 12.361 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.645 -0.090 13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.717 0.149 13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.849 -1.386 14.001 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.049 -1.234 12.695 1.00 0.00 H new ATOM 1522 N LEU A 102 11.217 -1.300 8.763 1.00 0.00 N ATOM 1523 CA LEU A 102 12.386 -0.784 8.061 1.00 0.00 C ATOM 1524 C LEU A 102 12.059 -0.458 6.615 1.00 0.00 C ATOM 1525 O LEU A 102 12.409 0.610 6.118 1.00 0.00 O ATOM 1526 CB LEU A 102 13.524 -1.807 8.117 1.00 0.00 C ATOM 1527 CG LEU A 102 14.599 -1.523 9.168 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.094 -1.876 10.558 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.873 -2.291 8.850 1.00 0.00 C ATOM 0 H LEU A 102 11.104 -2.312 8.701 1.00 0.00 H new ATOM 0 HA LEU A 102 12.698 0.136 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.098 -2.791 8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.999 -1.853 7.137 1.00 0.00 H new ATOM 0 HG LEU A 102 14.827 -0.457 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.872 -1.667 11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.211 -1.280 10.786 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.836 -2.935 10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.626 -2.076 9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.661 -3.360 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.246 -1.987 7.872 1.00 0.00 H new ATOM 1541 N HIS A 103 11.392 -1.382 5.942 1.00 0.00 N ATOM 1542 CA HIS A 103 11.055 -1.202 4.545 1.00 0.00 C ATOM 1543 C HIS A 103 10.074 -0.050 4.348 1.00 0.00 C ATOM 1544 O HIS A 103 10.164 0.684 3.365 1.00 0.00 O ATOM 1545 CB HIS A 103 10.469 -2.496 3.991 1.00 0.00 C ATOM 1546 CG HIS A 103 11.076 -2.920 2.690 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.241 -2.033 1.653 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.544 -4.135 2.312 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.798 -2.720 0.673 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.000 -3.997 1.027 1.00 0.00 N ATOM 0 H HIS A 103 11.074 -2.264 6.344 1.00 0.00 H new ATOM 0 HA HIS A 103 11.967 -0.952 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.608 -3.291 4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.395 -2.370 3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.555 -5.036 2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.058 -2.306 -0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.415 -4.728 0.449 1.00 0.00 H new ATOM 1558 N MET A 104 9.135 0.103 5.278 1.00 0.00 N ATOM 1559 CA MET A 104 8.143 1.169 5.184 1.00 0.00 C ATOM 1560 C MET A 104 8.813 2.540 5.158 1.00 0.00 C ATOM 1561 O MET A 104 8.358 3.445 4.462 1.00 0.00 O ATOM 1562 CB MET A 104 7.178 1.101 6.364 1.00 0.00 C ATOM 1563 CG MET A 104 7.822 1.521 7.665 1.00 0.00 C ATOM 1564 SD MET A 104 6.898 0.986 9.112 1.00 0.00 S ATOM 1565 CE MET A 104 5.231 1.348 8.577 1.00 0.00 C ATOM 0 H MET A 104 9.041 -0.494 6.100 1.00 0.00 H new ATOM 0 HA MET A 104 7.592 1.029 4.254 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.319 1.742 6.164 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.800 0.083 6.462 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.831 1.111 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.917 2.607 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.564 1.347 9.439 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.207 2.328 8.100 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.905 0.590 7.865 1.00 0.00 H new ATOM 1575 N LEU A 105 9.872 2.696 5.952 1.00 0.00 N ATOM 1576 CA LEU A 105 10.603 3.956 6.008 1.00 0.00 C ATOM 1577 C LEU A 105 11.663 3.992 4.924 1.00 0.00 C ATOM 1578 O LEU A 105 12.327 5.008 4.717 1.00 0.00 O ATOM 1579 CB LEU A 105 11.280 4.139 7.370 1.00 0.00 C ATOM 1580 CG LEU A 105 10.520 3.573 8.568 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.433 3.491 9.782 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.304 4.425 8.875 1.00 0.00 C ATOM 0 H LEU A 105 10.240 1.966 6.563 1.00 0.00 H new ATOM 0 HA LEU A 105 9.887 4.764 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.263 3.670 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.441 5.204 7.535 1.00 0.00 H new ATOM 0 HG LEU A 105 10.181 2.567 8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.878 3.086 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.279 2.841 9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.798 4.488 10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.774 4.008 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.621 5.442 9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.641 4.439 8.010 1.00 0.00 H new ATOM 1594 N GLU A 106 11.839 2.860 4.258 1.00 0.00 N ATOM 1595 CA GLU A 106 12.861 2.735 3.239 1.00 0.00 C ATOM 1596 C GLU A 106 12.259 2.659 1.841 1.00 0.00 C ATOM 1597 O GLU A 106 12.985 2.663 0.846 1.00 0.00 O ATOM 1598 CB GLU A 106 13.706 1.490 3.514 1.00 0.00 C ATOM 1599 CG GLU A 106 14.691 1.670 4.651 1.00 0.00 C ATOM 1600 CD GLU A 106 15.612 2.858 4.450 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.129 3.024 3.324 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.815 3.622 5.416 1.00 0.00 O ATOM 0 H GLU A 106 11.285 2.017 4.408 1.00 0.00 H new ATOM 0 HA GLU A 106 13.489 3.625 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.045 0.655 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.252 1.223 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.142 1.796 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.290 0.765 4.753 1.00 0.00 H new ATOM 1609 N SER A 107 10.934 2.596 1.765 1.00 0.00 N ATOM 1610 CA SER A 107 10.257 2.510 0.474 1.00 0.00 C ATOM 1611 C SER A 107 8.919 3.246 0.495 1.00 0.00 C ATOM 1612 O SER A 107 8.103 3.040 1.393 1.00 0.00 O ATOM 1613 CB SER A 107 10.036 1.047 0.091 1.00 0.00 C ATOM 1614 OG SER A 107 10.011 0.887 -1.317 1.00 0.00 O ATOM 0 H SER A 107 10.312 2.603 2.573 1.00 0.00 H new ATOM 0 HA SER A 107 10.896 2.988 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.830 0.433 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.097 0.694 0.517 1.00 0.00 H new ATOM 0 HG SER A 107 9.870 -0.058 -1.536 1.00 0.00 H new ATOM 1620 N PRO A 108 8.665 4.107 -0.513 1.00 0.00 N ATOM 1621 CA PRO A 108 7.411 4.864 -0.608 1.00 0.00 C ATOM 1622 C PRO A 108 6.226 3.969 -0.959 1.00 0.00 C ATOM 1623 O PRO A 108 5.127 4.452 -1.233 1.00 0.00 O ATOM 1624 CB PRO A 108 7.682 5.862 -1.735 1.00 0.00 C ATOM 1625 CG PRO A 108 8.719 5.206 -2.578 1.00 0.00 C ATOM 1626 CD PRO A 108 9.577 4.409 -1.634 1.00 0.00 C ATOM 0 HA PRO A 108 7.144 5.336 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.778 6.068 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.035 6.816 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.261 4.561 -3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.312 5.947 -3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.952 3.499 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.446 4.978 -1.303 1.00 0.00 H new ATOM 1634 N GLU A 109 6.463 2.664 -0.946 1.00 0.00 N ATOM 1635 CA GLU A 109 5.428 1.686 -1.251 1.00 0.00 C ATOM 1636 C GLU A 109 5.359 0.633 -0.158 1.00 0.00 C ATOM 1637 O GLU A 109 4.305 0.051 0.080 1.00 0.00 O ATOM 1638 CB GLU A 109 5.710 1.032 -2.610 1.00 0.00 C ATOM 1639 CG GLU A 109 5.380 -0.452 -2.674 1.00 0.00 C ATOM 1640 CD GLU A 109 5.490 -1.015 -4.078 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.625 -1.297 -4.517 1.00 0.00 O ATOM 1642 OE2 GLU A 109 4.442 -1.173 -4.739 1.00 0.00 O ATOM 0 H GLU A 109 7.371 2.256 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 109 4.465 2.194 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.136 1.553 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.764 1.168 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.053 -0.999 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.368 -0.612 -2.301 1.00 0.00 H new ATOM 1649 N SER A 110 6.478 0.398 0.517 1.00 0.00 N ATOM 1650 CA SER A 110 6.506 -0.581 1.588 1.00 0.00 C ATOM 1651 C SER A 110 5.595 -0.143 2.716 1.00 0.00 C ATOM 1652 O SER A 110 4.764 -0.913 3.186 1.00 0.00 O ATOM 1653 CB SER A 110 7.926 -0.801 2.099 1.00 0.00 C ATOM 1654 OG SER A 110 8.490 -1.973 1.540 1.00 0.00 O ATOM 0 H SER A 110 7.366 0.868 0.342 1.00 0.00 H new ATOM 0 HA SER A 110 6.146 -1.531 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.545 0.060 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.917 -0.880 3.186 1.00 0.00 H new ATOM 0 HG SER A 110 9.421 -1.800 1.288 1.00 0.00 H new ATOM 1660 N LEU A 111 5.679 1.130 3.068 1.00 0.00 N ATOM 1661 CA LEU A 111 4.802 1.699 4.070 1.00 0.00 C ATOM 1662 C LEU A 111 3.365 1.264 3.795 1.00 0.00 C ATOM 1663 O LEU A 111 2.638 0.860 4.701 1.00 0.00 O ATOM 1664 CB LEU A 111 4.920 3.228 4.003 1.00 0.00 C ATOM 1665 CG LEU A 111 4.392 4.024 5.203 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.038 3.507 5.668 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.404 4.007 6.335 1.00 0.00 C ATOM 0 H LEU A 111 6.349 1.788 2.671 1.00 0.00 H new ATOM 0 HA LEU A 111 5.083 1.353 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.972 3.480 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.392 3.569 3.112 1.00 0.00 H new ATOM 0 HG LEU A 111 4.248 5.056 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.697 4.096 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.317 3.593 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.129 2.462 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.015 4.576 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.587 2.978 6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.338 4.455 5.995 1.00 0.00 H new ATOM 1679 N ARG A 112 2.986 1.289 2.523 1.00 0.00 N ATOM 1680 CA ARG A 112 1.640 0.911 2.119 1.00 0.00 C ATOM 1681 C ARG A 112 1.479 -0.609 2.056 1.00 0.00 C ATOM 1682 O ARG A 112 0.705 -1.184 2.817 1.00 0.00 O ATOM 1683 CB ARG A 112 1.304 1.556 0.770 1.00 0.00 C ATOM 1684 CG ARG A 112 0.532 0.656 -0.179 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.051 1.444 -1.340 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.963 0.637 -2.146 1.00 0.00 N ATOM 1687 CZ ARG A 112 -2.064 1.116 -2.715 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.392 2.393 -2.566 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.842 0.317 -3.433 1.00 0.00 N ATOM 0 H ARG A 112 3.594 1.568 1.753 1.00 0.00 H new ATOM 0 HA ARG A 112 0.940 1.276 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.722 2.460 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.231 1.863 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.192 -0.123 -0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.271 0.157 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.581 2.316 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.758 1.814 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.742 -0.350 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.798 3.011 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.238 2.757 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.595 -0.666 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.687 0.685 -3.869 1.00 0.00 H new ATOM 1703 N SER A 113 2.204 -1.248 1.141 1.00 0.00 N ATOM 1704 CA SER A 113 2.122 -2.693 0.961 1.00 0.00 C ATOM 1705 C SER A 113 2.237 -3.425 2.293 1.00 0.00 C ATOM 1706 O SER A 113 1.388 -4.248 2.635 1.00 0.00 O ATOM 1707 CB SER A 113 3.224 -3.168 0.011 1.00 0.00 C ATOM 1708 OG SER A 113 3.114 -4.558 -0.245 1.00 0.00 O ATOM 0 H SER A 113 2.858 -0.784 0.510 1.00 0.00 H new ATOM 0 HA SER A 113 1.147 -2.922 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.162 -2.616 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.200 -2.951 0.444 1.00 0.00 H new ATOM 0 HG SER A 113 3.828 -4.836 -0.856 1.00 0.00 H new ATOM 1714 N LYS A 114 3.288 -3.112 3.044 1.00 0.00 N ATOM 1715 CA LYS A 114 3.516 -3.738 4.340 1.00 0.00 C ATOM 1716 C LYS A 114 2.357 -3.464 5.292 1.00 0.00 C ATOM 1717 O LYS A 114 2.053 -4.286 6.155 1.00 0.00 O ATOM 1718 CB LYS A 114 4.829 -3.245 4.954 1.00 0.00 C ATOM 1719 CG LYS A 114 6.042 -3.471 4.065 1.00 0.00 C ATOM 1720 CD LYS A 114 6.297 -4.951 3.828 1.00 0.00 C ATOM 1721 CE LYS A 114 6.783 -5.214 2.412 1.00 0.00 C ATOM 1722 NZ LYS A 114 5.710 -5.788 1.554 1.00 0.00 N ATOM 0 H LYS A 114 3.996 -2.428 2.776 1.00 0.00 H new ATOM 0 HA LYS A 114 3.584 -4.814 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.741 -2.180 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.988 -3.752 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.891 -2.970 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.920 -3.020 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.038 -5.312 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.381 -5.513 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.140 -4.283 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.630 -5.899 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.082 -5.953 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.386 -6.689 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.911 -5.123 1.506 1.00 0.00 H new ATOM 1736 N VAL A 115 1.708 -2.308 5.139 1.00 0.00 N ATOM 1737 CA VAL A 115 0.564 -1.971 5.980 1.00 0.00 C ATOM 1738 C VAL A 115 -0.631 -2.843 5.601 1.00 0.00 C ATOM 1739 O VAL A 115 -1.188 -3.543 6.446 1.00 0.00 O ATOM 1740 CB VAL A 115 0.199 -0.470 5.881 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.307 -0.255 5.905 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.856 0.305 7.012 1.00 0.00 C ATOM 0 H VAL A 115 1.953 -1.599 4.448 1.00 0.00 H new ATOM 0 HA VAL A 115 0.838 -2.167 7.017 1.00 0.00 H new ATOM 0 HB VAL A 115 0.572 -0.101 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.524 0.811 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.762 -0.775 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.716 -0.647 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.592 1.360 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.509 -0.084 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.939 0.196 6.947 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.981 -2.837 4.316 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.074 -3.659 3.812 1.00 0.00 C ATOM 1754 C ASP A 116 -1.870 -5.119 4.206 1.00 0.00 C ATOM 1755 O ASP A 116 -2.826 -5.833 4.517 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.156 -3.540 2.290 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.438 -2.883 1.822 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.631 -1.684 2.112 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.245 -3.564 1.155 1.00 0.00 O ATOM 0 H ASP A 116 -0.520 -2.269 3.605 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.006 -3.305 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.304 -2.963 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.079 -4.533 1.848 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.613 -5.553 4.193 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.272 -6.918 4.571 1.00 0.00 C ATOM 1766 C GLU A 117 -0.336 -7.070 6.082 1.00 0.00 C ATOM 1767 O GLU A 117 -0.711 -8.124 6.597 1.00 0.00 O ATOM 1768 CB GLU A 117 1.126 -7.279 4.066 1.00 0.00 C ATOM 1769 CG GLU A 117 1.119 -8.038 2.749 1.00 0.00 C ATOM 1770 CD GLU A 117 2.017 -9.259 2.776 1.00 0.00 C ATOM 1771 OE1 GLU A 117 1.612 -10.280 3.370 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.126 -9.194 2.204 1.00 0.00 O ATOM 0 H GLU A 117 0.185 -4.978 3.924 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.992 -7.597 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.707 -6.365 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.632 -7.882 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.100 -8.346 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.441 -7.372 1.948 1.00 0.00 H new ATOM 1779 N ALA A 118 0.021 -6.002 6.788 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.034 -6.004 8.240 1.00 0.00 C ATOM 1781 C ALA A 118 -1.477 -6.083 8.706 1.00 0.00 C ATOM 1782 O ALA A 118 -1.756 -6.547 9.808 1.00 0.00 O ATOM 1783 CB ALA A 118 0.648 -4.773 8.812 1.00 0.00 C ATOM 0 H ALA A 118 0.350 -5.128 6.377 1.00 0.00 H new ATOM 0 HA ALA A 118 0.501 -6.881 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.593 -4.799 9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.693 -4.759 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.148 -3.877 8.445 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.394 -5.640 7.849 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.811 -5.725 8.153 1.00 0.00 C ATOM 1791 C VAL A 119 -4.230 -7.176 8.226 1.00 0.00 C ATOM 1792 O VAL A 119 -4.870 -7.603 9.182 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.672 -5.020 7.106 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.109 -4.955 7.593 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.124 -3.638 6.807 1.00 0.00 C ATOM 0 H VAL A 119 -2.178 -5.221 6.944 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.964 -5.228 9.111 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.647 -5.587 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.724 -4.452 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.485 -5.966 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.151 -4.401 8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.751 -3.152 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.121 -3.043 7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.106 -3.725 6.427 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.845 -7.932 7.207 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.124 -9.353 7.172 1.00 0.00 C ATOM 1807 C ALA A 120 -3.540 -10.019 8.411 1.00 0.00 C ATOM 1808 O ALA A 120 -4.045 -11.034 8.893 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.536 -9.964 5.910 1.00 0.00 C ATOM 0 H ALA A 120 -3.338 -7.580 6.395 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.202 -9.512 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.749 -11.033 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.979 -9.489 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.457 -9.809 5.899 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.483 -9.405 8.933 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.806 -9.893 10.122 1.00 0.00 C ATOM 1817 C VAL A 121 -2.504 -9.391 11.385 1.00 0.00 C ATOM 1818 O VAL A 121 -2.505 -10.064 12.418 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.331 -9.439 10.117 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.268 -9.470 11.514 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.480 -10.299 9.160 1.00 0.00 C ATOM 0 H VAL A 121 -2.075 -8.556 8.542 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.843 -10.982 10.116 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.298 -8.405 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.307 -9.144 11.472 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.295 -8.803 12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.222 -10.486 11.907 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.519 -9.969 9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.429 -11.341 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.074 -10.204 8.153 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.110 -8.213 11.287 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.830 -7.625 12.410 1.00 0.00 C ATOM 1833 C LEU A 122 -5.165 -8.335 12.608 1.00 0.00 C ATOM 1834 O LEU A 122 -5.605 -8.551 13.733 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.043 -6.123 12.175 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.499 -5.646 12.186 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.822 -4.967 13.505 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.759 -4.705 11.022 1.00 0.00 C ATOM 0 H LEU A 122 -3.117 -7.646 10.439 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.236 -7.750 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.495 -5.573 12.940 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.601 -5.859 11.214 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.150 -6.514 12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.860 -4.633 13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.673 -5.672 14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.166 -4.108 13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.798 -4.376 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.102 -3.839 11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.564 -5.224 10.084 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.803 -8.693 11.501 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.073 -9.403 11.546 1.00 0.00 C ATOM 1852 C GLN A 123 -6.843 -10.860 11.927 1.00 0.00 C ATOM 1853 O GLN A 123 -7.751 -11.546 12.399 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.772 -9.320 10.187 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.064 -7.898 9.737 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.547 -7.628 9.576 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.261 -7.417 10.557 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.017 -7.636 8.335 1.00 0.00 N ATOM 0 H GLN A 123 -5.460 -8.502 10.559 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.710 -8.937 12.298 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.149 -9.808 9.437 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.708 -9.876 10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.648 -7.199 10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.560 -7.711 8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.388 -7.816 7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.007 -7.463 8.164 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.609 -11.312 11.734 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.226 -12.683 12.042 1.00 0.00 C ATOM 1869 C ALA A 124 -4.764 -12.826 13.486 1.00 0.00 C ATOM 1870 O ALA A 124 -4.636 -13.939 13.995 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.115 -13.124 11.111 1.00 0.00 C ATOM 0 H ALA A 124 -4.850 -10.741 11.362 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.104 -13.314 11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.831 -14.150 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.462 -13.069 10.079 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.252 -12.471 11.239 1.00 0.00 H new