USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 777 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 78 HIS : no HD1:sc= 0 K(o=-2.9,f=-0.3) USER MOD Set 1.2: A 82 GLN : amide:sc= -2.91! K(o=-2.9!,f=-0.3) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.0614 K(o=0.48,f=-1.5!) USER MOD Set 2.2: A 56 ASN : amide:sc= 0.414 K(o=0.48,f=-0.38) USER MOD Single : A 1 MET CE :methyl 175:sc= -0.0414 (180deg=-0.101) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.476 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 31 SER OG : rot 180:sc= -0.459 USER MOD Single : A 37 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.099) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 47 GLN : amide:sc= -0.813 K(o=-0.81,f=-2.3!) USER MOD Single : A 49 CYS SG : rot -22:sc= -0.798 USER MOD Single : A 62 HIS : no HD1:sc= -0.389 X(o=-0.39,f=0.024) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -4.26! C(o=-4.3!,f=-3.4!) USER MOD Single : A 71 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.32) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0364 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.970 -7.097 -18.305 1.00 0.00 N ATOM 2 CA MET A 1 -2.988 -6.210 -17.628 1.00 0.00 C ATOM 3 C MET A 1 -3.004 -4.809 -18.230 1.00 0.00 C ATOM 4 O MET A 1 -2.885 -4.643 -19.444 1.00 0.00 O ATOM 5 CB MET A 1 -1.596 -6.829 -17.767 1.00 0.00 C ATOM 6 CG MET A 1 -0.569 -6.239 -16.814 1.00 0.00 C ATOM 7 SD MET A 1 -1.023 -6.457 -15.083 1.00 0.00 S ATOM 8 CE MET A 1 0.564 -6.226 -14.286 1.00 0.00 C ATOM 0 H1 MET A 1 -3.937 -8.043 -17.875 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.926 -6.701 -18.199 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.735 -7.168 -19.316 1.00 0.00 H new ATOM 0 HA MET A 1 -3.255 -6.118 -16.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.666 -7.903 -17.593 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.248 -6.694 -18.791 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.399 -6.707 -16.994 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.453 -5.176 -17.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.434 -6.243 -13.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.240 -7.028 -14.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.986 -5.267 -14.586 1.00 0.00 H new ATOM 17 N LYS A 2 -3.150 -3.804 -17.373 1.00 0.00 N ATOM 18 CA LYS A 2 -3.180 -2.417 -17.820 1.00 0.00 C ATOM 19 C LYS A 2 -3.117 -1.461 -16.632 1.00 0.00 C ATOM 20 O LYS A 2 -3.236 -1.879 -15.481 1.00 0.00 O ATOM 21 CB LYS A 2 -4.444 -2.152 -18.642 1.00 0.00 C ATOM 22 CG LYS A 2 -4.180 -1.410 -19.943 1.00 0.00 C ATOM 23 CD LYS A 2 -5.259 -1.693 -20.977 1.00 0.00 C ATOM 24 CE LYS A 2 -5.902 -0.410 -21.480 1.00 0.00 C ATOM 25 NZ LYS A 2 -6.580 -0.605 -22.792 1.00 0.00 N ATOM 0 H LYS A 2 -3.249 -3.925 -16.365 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.306 -2.243 -18.447 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.927 -3.103 -18.867 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.145 -1.574 -18.039 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.133 -0.338 -19.749 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.208 -1.704 -20.340 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.826 -2.237 -21.816 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.023 -2.337 -20.540 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.626 -0.055 -20.747 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.141 0.364 -21.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.005 0.293 -23.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.885 -0.919 -23.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.324 -1.325 -22.695 1.00 0.00 H new ATOM 39 N THR A 3 -2.929 -0.178 -16.920 1.00 0.00 N ATOM 40 CA THR A 3 -2.850 0.836 -15.874 1.00 0.00 C ATOM 41 C THR A 3 -4.234 1.152 -15.315 1.00 0.00 C ATOM 42 O THR A 3 -4.392 1.384 -14.117 1.00 0.00 O ATOM 43 CB THR A 3 -2.205 2.111 -16.419 1.00 0.00 C ATOM 44 OG1 THR A 3 -1.065 1.801 -17.201 1.00 0.00 O ATOM 45 CG2 THR A 3 -1.770 3.073 -15.334 1.00 0.00 C ATOM 0 H THR A 3 -2.828 0.185 -17.868 1.00 0.00 H new ATOM 0 HA THR A 3 -2.234 0.441 -15.066 1.00 0.00 H new ATOM 0 HB THR A 3 -2.977 2.592 -17.019 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.667 2.629 -17.542 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.321 3.956 -15.789 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.636 3.370 -14.743 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.039 2.586 -14.688 1.00 0.00 H new ATOM 53 N ALA A 4 -5.233 1.159 -16.191 1.00 0.00 N ATOM 54 CA ALA A 4 -6.603 1.447 -15.786 1.00 0.00 C ATOM 55 C ALA A 4 -7.100 0.429 -14.765 1.00 0.00 C ATOM 56 O ALA A 4 -7.544 0.793 -13.676 1.00 0.00 O ATOM 57 CB ALA A 4 -7.518 1.467 -17.001 1.00 0.00 C ATOM 0 H ALA A 4 -5.119 0.968 -17.187 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.618 2.430 -15.316 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.538 1.683 -16.685 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.183 2.237 -17.696 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.489 0.495 -17.494 1.00 0.00 H new ATOM 63 N LEU A 5 -7.021 -0.848 -15.125 1.00 0.00 N ATOM 64 CA LEU A 5 -7.463 -1.920 -14.241 1.00 0.00 C ATOM 65 C LEU A 5 -6.611 -1.970 -12.976 1.00 0.00 C ATOM 66 O LEU A 5 -7.117 -2.229 -11.885 1.00 0.00 O ATOM 67 CB LEU A 5 -7.397 -3.266 -14.966 1.00 0.00 C ATOM 68 CG LEU A 5 -6.041 -3.598 -15.593 1.00 0.00 C ATOM 69 CD1 LEU A 5 -5.229 -4.489 -14.666 1.00 0.00 C ATOM 70 CD2 LEU A 5 -6.228 -4.264 -16.948 1.00 0.00 C ATOM 0 H LEU A 5 -6.655 -1.165 -16.023 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.495 -1.718 -13.955 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.657 -4.055 -14.260 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.155 -3.277 -15.749 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.493 -2.667 -15.741 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.268 -4.715 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.064 -3.975 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.772 -5.417 -14.485 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.253 -4.493 -17.379 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.796 -5.186 -16.825 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.769 -3.591 -17.613 1.00 0.00 H new ATOM 82 N LEU A 6 -5.316 -1.722 -13.133 1.00 0.00 N ATOM 83 CA LEU A 6 -4.391 -1.739 -12.006 1.00 0.00 C ATOM 84 C LEU A 6 -4.690 -0.602 -11.032 1.00 0.00 C ATOM 85 O LEU A 6 -4.409 -0.706 -9.838 1.00 0.00 O ATOM 86 CB LEU A 6 -2.948 -1.631 -12.503 1.00 0.00 C ATOM 87 CG LEU A 6 -2.281 -2.963 -12.851 1.00 0.00 C ATOM 88 CD1 LEU A 6 -0.839 -2.741 -13.281 1.00 0.00 C ATOM 89 CD2 LEU A 6 -2.346 -3.916 -11.667 1.00 0.00 C ATOM 0 H LEU A 6 -4.882 -1.507 -14.031 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.520 -2.685 -11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.931 -0.992 -13.386 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.353 -1.133 -11.738 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.822 -3.413 -13.684 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.380 -3.699 -13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.816 -2.094 -14.158 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.285 -2.270 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.867 -4.859 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.830 -3.474 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.388 -4.100 -11.405 1.00 0.00 H new ATOM 101 N LEU A 7 -5.256 0.483 -11.549 1.00 0.00 N ATOM 102 CA LEU A 7 -5.587 1.640 -10.724 1.00 0.00 C ATOM 103 C LEU A 7 -6.833 1.377 -9.882 1.00 0.00 C ATOM 104 O LEU A 7 -6.821 1.561 -8.666 1.00 0.00 O ATOM 105 CB LEU A 7 -5.799 2.875 -11.604 1.00 0.00 C ATOM 106 CG LEU A 7 -5.046 4.127 -11.154 1.00 0.00 C ATOM 107 CD1 LEU A 7 -4.912 5.111 -12.306 1.00 0.00 C ATOM 108 CD2 LEU A 7 -5.752 4.778 -9.974 1.00 0.00 C ATOM 0 H LEU A 7 -5.495 0.586 -12.535 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.751 1.822 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.495 2.633 -12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.865 3.102 -11.635 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.046 3.832 -10.836 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.373 5.996 -11.968 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.363 4.642 -13.123 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.903 5.401 -12.654 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.202 5.668 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.764 5.059 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.796 4.074 -9.143 1.00 0.00 H new ATOM 120 N GLU A 8 -7.907 0.950 -10.539 1.00 0.00 N ATOM 121 CA GLU A 8 -9.161 0.667 -9.850 1.00 0.00 C ATOM 122 C GLU A 8 -8.980 -0.431 -8.806 1.00 0.00 C ATOM 123 O GLU A 8 -9.613 -0.407 -7.750 1.00 0.00 O ATOM 124 CB GLU A 8 -10.240 0.259 -10.855 1.00 0.00 C ATOM 125 CG GLU A 8 -9.811 -0.860 -11.790 1.00 0.00 C ATOM 126 CD GLU A 8 -10.987 -1.644 -12.337 1.00 0.00 C ATOM 127 OE1 GLU A 8 -11.949 -1.011 -12.821 1.00 0.00 O ATOM 128 OE2 GLU A 8 -10.947 -2.891 -12.283 1.00 0.00 O ATOM 0 H GLU A 8 -7.934 0.793 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.475 1.577 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.131 -0.055 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.519 1.130 -11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.243 -0.438 -12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.143 -1.537 -11.258 1.00 0.00 H new ATOM 135 N LYS A 9 -8.116 -1.394 -9.108 1.00 0.00 N ATOM 136 CA LYS A 9 -7.857 -2.501 -8.193 1.00 0.00 C ATOM 137 C LYS A 9 -7.036 -2.037 -6.994 1.00 0.00 C ATOM 138 O LYS A 9 -7.408 -2.275 -5.845 1.00 0.00 O ATOM 139 CB LYS A 9 -7.129 -3.633 -8.923 1.00 0.00 C ATOM 140 CG LYS A 9 -7.848 -4.970 -8.840 1.00 0.00 C ATOM 141 CD LYS A 9 -6.866 -6.130 -8.787 1.00 0.00 C ATOM 142 CE LYS A 9 -6.758 -6.831 -10.132 1.00 0.00 C ATOM 143 NZ LYS A 9 -5.545 -7.692 -10.213 1.00 0.00 N ATOM 0 H LYS A 9 -7.584 -1.431 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.815 -2.872 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.007 -3.359 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.129 -3.741 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.482 -4.988 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.503 -5.086 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.884 -5.764 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.186 -6.844 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.647 -7.440 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.729 -6.087 -10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.508 -8.152 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.695 -7.107 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.584 -8.418 -9.470 1.00 0.00 H new ATOM 157 N LEU A 10 -5.916 -1.375 -7.269 1.00 0.00 N ATOM 158 CA LEU A 10 -5.041 -0.879 -6.213 1.00 0.00 C ATOM 159 C LEU A 10 -5.785 0.086 -5.294 1.00 0.00 C ATOM 160 O LEU A 10 -5.795 -0.084 -4.075 1.00 0.00 O ATOM 161 CB LEU A 10 -3.818 -0.187 -6.819 1.00 0.00 C ATOM 162 CG LEU A 10 -2.579 -1.072 -6.967 1.00 0.00 C ATOM 163 CD1 LEU A 10 -2.922 -2.353 -7.713 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.469 -0.316 -7.682 1.00 0.00 C ATOM 0 H LEU A 10 -5.593 -1.170 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.711 -1.732 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.088 0.200 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.561 0.671 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.226 -1.341 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.028 -2.969 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.684 -2.903 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.300 -2.106 -8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.595 -0.960 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.812 -0.017 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.204 0.571 -7.107 1.00 0.00 H new ATOM 176 N GLU A 11 -6.406 1.101 -5.888 1.00 0.00 N ATOM 177 CA GLU A 11 -7.151 2.093 -5.122 1.00 0.00 C ATOM 178 C GLU A 11 -8.411 1.481 -4.517 1.00 0.00 C ATOM 179 O GLU A 11 -8.831 1.856 -3.422 1.00 0.00 O ATOM 180 CB GLU A 11 -7.522 3.282 -6.012 1.00 0.00 C ATOM 181 CG GLU A 11 -6.578 4.464 -5.871 1.00 0.00 C ATOM 182 CD GLU A 11 -6.733 5.177 -4.542 1.00 0.00 C ATOM 183 OE1 GLU A 11 -7.884 5.334 -4.083 1.00 0.00 O ATOM 184 OE2 GLU A 11 -5.704 5.579 -3.960 1.00 0.00 O ATOM 0 H GLU A 11 -6.408 1.257 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.514 2.442 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.532 2.957 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.534 3.605 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.550 4.118 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.761 5.170 -6.681 1.00 0.00 H new ATOM 191 N GLY A 12 -9.009 0.538 -5.237 1.00 0.00 N ATOM 192 CA GLY A 12 -10.214 -0.111 -4.755 1.00 0.00 C ATOM 193 C GLY A 12 -9.984 -0.887 -3.473 1.00 0.00 C ATOM 194 O GLY A 12 -10.779 -0.801 -2.537 1.00 0.00 O ATOM 0 H GLY A 12 -8.681 0.212 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.985 0.641 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.590 -0.787 -5.523 1.00 0.00 H new ATOM 198 N GLN A 13 -8.895 -1.648 -3.431 1.00 0.00 N ATOM 199 CA GLN A 13 -8.565 -2.443 -2.254 1.00 0.00 C ATOM 200 C GLN A 13 -7.998 -1.563 -1.144 1.00 0.00 C ATOM 201 O GLN A 13 -8.361 -1.708 0.023 1.00 0.00 O ATOM 202 CB GLN A 13 -7.558 -3.536 -2.618 1.00 0.00 C ATOM 203 CG GLN A 13 -7.249 -4.485 -1.471 1.00 0.00 C ATOM 204 CD GLN A 13 -7.678 -5.910 -1.759 1.00 0.00 C ATOM 205 OE1 GLN A 13 -6.937 -6.684 -2.365 1.00 0.00 O ATOM 206 NE2 GLN A 13 -8.882 -6.264 -1.325 1.00 0.00 N ATOM 0 H GLN A 13 -8.227 -1.731 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.482 -2.908 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.946 -4.110 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.632 -3.068 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.178 -4.466 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.751 -4.134 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.463 -5.590 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.226 -7.210 -1.490 1.00 0.00 H new ATOM 215 N LEU A 14 -7.105 -0.652 -1.516 1.00 0.00 N ATOM 216 CA LEU A 14 -6.487 0.251 -0.553 1.00 0.00 C ATOM 217 C LEU A 14 -7.537 1.120 0.131 1.00 0.00 C ATOM 218 O LEU A 14 -7.398 1.474 1.302 1.00 0.00 O ATOM 219 CB LEU A 14 -5.449 1.136 -1.245 1.00 0.00 C ATOM 220 CG LEU A 14 -4.303 1.610 -0.350 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.111 2.039 -1.192 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.765 2.750 0.544 1.00 0.00 C ATOM 0 H LEU A 14 -6.793 -0.520 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.991 -0.354 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.029 0.586 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.955 2.010 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.993 0.779 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.305 2.373 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.766 1.196 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.406 2.856 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.938 3.076 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.101 3.583 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.588 2.409 1.172 1.00 0.00 H new ATOM 234 N ALA A 15 -8.588 1.462 -0.608 1.00 0.00 N ATOM 235 CA ALA A 15 -9.661 2.291 -0.073 1.00 0.00 C ATOM 236 C ALA A 15 -10.556 1.492 0.868 1.00 0.00 C ATOM 237 O ALA A 15 -10.810 1.905 2.000 1.00 0.00 O ATOM 238 CB ALA A 15 -10.482 2.886 -1.207 1.00 0.00 C ATOM 0 H ALA A 15 -8.719 1.178 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.210 3.102 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.280 3.503 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.839 3.499 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.916 2.083 -1.802 1.00 0.00 H new ATOM 244 N THR A 16 -11.034 0.346 0.393 1.00 0.00 N ATOM 245 CA THR A 16 -11.902 -0.510 1.193 1.00 0.00 C ATOM 246 C THR A 16 -11.173 -1.024 2.430 1.00 0.00 C ATOM 247 O THR A 16 -11.692 -0.953 3.544 1.00 0.00 O ATOM 248 CB THR A 16 -12.402 -1.688 0.355 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.936 -1.237 -0.877 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.472 -2.504 1.047 1.00 0.00 C ATOM 0 H THR A 16 -10.835 -0.011 -0.542 1.00 0.00 H new ATOM 0 HA THR A 16 -12.755 0.085 1.519 1.00 0.00 H new ATOM 0 HB THR A 16 -11.529 -2.321 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.206 -1.080 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.782 -3.323 0.398 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.076 -2.909 1.978 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.331 -1.869 1.264 1.00 0.00 H new ATOM 258 N LEU A 17 -9.966 -1.543 2.227 1.00 0.00 N ATOM 259 CA LEU A 17 -9.166 -2.070 3.326 1.00 0.00 C ATOM 260 C LEU A 17 -8.877 -0.987 4.361 1.00 0.00 C ATOM 261 O LEU A 17 -9.084 -1.187 5.557 1.00 0.00 O ATOM 262 CB LEU A 17 -7.852 -2.648 2.797 1.00 0.00 C ATOM 263 CG LEU A 17 -7.247 -3.766 3.647 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.510 -4.765 2.769 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.313 -3.188 4.700 1.00 0.00 C ATOM 0 H LEU A 17 -9.521 -1.610 1.312 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.737 -2.863 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.020 -3.029 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.124 -1.840 2.715 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.057 -4.289 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.086 -5.553 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.206 -5.203 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.709 -4.256 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.891 -3.997 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.508 -2.640 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.870 -2.512 5.349 1.00 0.00 H new ATOM 277 N ARG A 18 -8.395 0.160 3.893 1.00 0.00 N ATOM 278 CA ARG A 18 -8.076 1.274 4.780 1.00 0.00 C ATOM 279 C ARG A 18 -9.327 1.785 5.487 1.00 0.00 C ATOM 280 O ARG A 18 -9.272 2.197 6.646 1.00 0.00 O ATOM 281 CB ARG A 18 -7.422 2.410 3.992 1.00 0.00 C ATOM 282 CG ARG A 18 -6.812 3.488 4.872 1.00 0.00 C ATOM 283 CD ARG A 18 -6.919 4.861 4.227 1.00 0.00 C ATOM 284 NE ARG A 18 -7.203 5.906 5.208 1.00 0.00 N ATOM 285 CZ ARG A 18 -7.001 7.203 4.989 1.00 0.00 C ATOM 286 NH1 ARG A 18 -6.516 7.619 3.826 1.00 0.00 N ATOM 287 NH2 ARG A 18 -7.285 8.087 5.936 1.00 0.00 N ATOM 0 H ARG A 18 -8.217 0.343 2.905 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.377 0.914 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.646 1.995 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.167 2.864 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.316 3.499 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.764 3.255 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.988 5.092 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.707 4.847 3.474 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.578 5.625 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.296 6.943 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.363 8.614 3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.658 7.773 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.130 9.081 5.769 1.00 0.00 H new ATOM 301 N GLN A 19 -10.453 1.758 4.781 1.00 0.00 N ATOM 302 CA GLN A 19 -11.717 2.222 5.343 1.00 0.00 C ATOM 303 C GLN A 19 -12.133 1.361 6.531 1.00 0.00 C ATOM 304 O GLN A 19 -12.577 1.877 7.557 1.00 0.00 O ATOM 305 CB GLN A 19 -12.812 2.201 4.275 1.00 0.00 C ATOM 306 CG GLN A 19 -14.096 2.890 4.709 1.00 0.00 C ATOM 307 CD GLN A 19 -14.678 3.776 3.625 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.530 4.998 3.659 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.345 3.163 2.654 1.00 0.00 N ATOM 0 H GLN A 19 -10.516 1.420 3.821 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.577 3.246 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.437 2.684 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.034 1.166 4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.831 2.136 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.899 3.491 5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.443 2.148 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.759 3.707 1.897 1.00 0.00 H new ATOM 318 N ARG A 20 -11.987 0.048 6.386 1.00 0.00 N ATOM 319 CA ARG A 20 -12.349 -0.882 7.450 1.00 0.00 C ATOM 320 C ARG A 20 -11.252 -0.949 8.508 1.00 0.00 C ATOM 321 O ARG A 20 -11.531 -1.109 9.696 1.00 0.00 O ATOM 322 CB ARG A 20 -12.609 -2.276 6.871 1.00 0.00 C ATOM 323 CG ARG A 20 -14.033 -2.763 7.081 1.00 0.00 C ATOM 324 CD ARG A 20 -14.576 -3.457 5.841 1.00 0.00 C ATOM 325 NE ARG A 20 -13.856 -4.693 5.546 1.00 0.00 N ATOM 326 CZ ARG A 20 -14.014 -5.824 6.230 1.00 0.00 C ATOM 327 NH1 ARG A 20 -14.866 -5.880 7.246 1.00 0.00 N ATOM 328 NH2 ARG A 20 -13.318 -6.902 5.896 1.00 0.00 N ATOM 0 H ARG A 20 -11.621 -0.396 5.544 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.262 -0.520 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.391 -2.264 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.919 -2.985 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.062 -3.451 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.673 -1.918 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.634 -3.679 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.504 -2.783 4.987 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.193 -4.689 4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.404 -5.054 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.983 -6.749 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.662 -6.864 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.438 -7.769 6.419 1.00 0.00 H new ATOM 342 N CYS A 21 -10.005 -0.825 8.068 1.00 0.00 N ATOM 343 CA CYS A 21 -8.865 -0.870 8.976 1.00 0.00 C ATOM 344 C CYS A 21 -8.466 0.532 9.435 1.00 0.00 C ATOM 345 O CYS A 21 -7.387 0.727 9.995 1.00 0.00 O ATOM 346 CB CYS A 21 -7.676 -1.553 8.297 1.00 0.00 C ATOM 347 SG CYS A 21 -7.885 -3.332 8.057 1.00 0.00 S ATOM 0 H CYS A 21 -9.758 -0.692 7.087 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.159 -1.445 9.854 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.506 -1.084 7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.781 -1.381 8.895 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.829 -3.818 7.474 1.00 0.00 H new ATOM 353 N ALA A 22 -9.340 1.507 9.195 1.00 0.00 N ATOM 354 CA ALA A 22 -9.072 2.886 9.586 1.00 0.00 C ATOM 355 C ALA A 22 -8.875 3.002 11.095 1.00 0.00 C ATOM 356 O ALA A 22 -7.859 3.521 11.559 1.00 0.00 O ATOM 357 CB ALA A 22 -10.206 3.792 9.126 1.00 0.00 C ATOM 0 H ALA A 22 -10.238 1.366 8.732 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.148 3.203 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.995 4.819 9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.296 3.740 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.140 3.467 9.584 1.00 0.00 H new ATOM 363 N PRO A 23 -9.850 2.520 11.885 1.00 0.00 N ATOM 364 CA PRO A 23 -9.787 2.573 13.346 1.00 0.00 C ATOM 365 C PRO A 23 -8.995 1.412 13.944 1.00 0.00 C ATOM 366 O PRO A 23 -9.444 0.768 14.892 1.00 0.00 O ATOM 367 CB PRO A 23 -11.256 2.472 13.743 1.00 0.00 C ATOM 368 CG PRO A 23 -11.867 1.615 12.686 1.00 0.00 C ATOM 369 CD PRO A 23 -11.101 1.891 11.415 1.00 0.00 C ATOM 0 HA PRO A 23 -9.281 3.469 13.706 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.371 2.027 14.731 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.726 3.455 13.779 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.803 0.561 12.956 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.924 1.848 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.903 0.974 10.860 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.656 2.553 10.750 1.00 0.00 H new ATOM 377 N VAL A 24 -7.817 1.148 13.387 1.00 0.00 N ATOM 378 CA VAL A 24 -6.971 0.062 13.872 1.00 0.00 C ATOM 379 C VAL A 24 -5.590 0.566 14.289 1.00 0.00 C ATOM 380 O VAL A 24 -4.680 -0.228 14.532 1.00 0.00 O ATOM 381 CB VAL A 24 -6.801 -1.035 12.804 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.112 -2.254 13.395 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.149 -1.412 12.208 1.00 0.00 C ATOM 0 H VAL A 24 -7.427 1.669 12.602 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.474 -0.357 14.744 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.172 -0.644 12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.001 -3.018 12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.128 -1.970 13.769 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.712 -2.649 14.215 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.010 -2.188 11.455 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.804 -1.784 12.996 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.600 -0.534 11.745 1.00 0.00 H new ATOM 393 N SER A 25 -5.434 1.885 14.371 1.00 0.00 N ATOM 394 CA SER A 25 -4.159 2.478 14.758 1.00 0.00 C ATOM 395 C SER A 25 -3.747 2.030 16.158 1.00 0.00 C ATOM 396 O SER A 25 -2.559 1.911 16.457 1.00 0.00 O ATOM 397 CB SER A 25 -4.247 4.005 14.704 1.00 0.00 C ATOM 398 OG SER A 25 -2.969 4.596 14.868 1.00 0.00 O ATOM 0 H SER A 25 -6.173 2.561 14.175 1.00 0.00 H new ATOM 0 HA SER A 25 -3.401 2.137 14.052 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.674 4.314 13.750 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.919 4.361 15.485 1.00 0.00 H new ATOM 0 HG SER A 25 -3.052 5.572 14.828 1.00 0.00 H new ATOM 404 N GLN A 26 -4.736 1.784 17.012 1.00 0.00 N ATOM 405 CA GLN A 26 -4.473 1.351 18.381 1.00 0.00 C ATOM 406 C GLN A 26 -3.973 -0.091 18.411 1.00 0.00 C ATOM 407 O GLN A 26 -3.022 -0.413 19.124 1.00 0.00 O ATOM 408 CB GLN A 26 -5.737 1.482 19.232 1.00 0.00 C ATOM 409 CG GLN A 26 -6.025 2.907 19.679 1.00 0.00 C ATOM 410 CD GLN A 26 -5.995 3.065 21.187 1.00 0.00 C ATOM 411 OE1 GLN A 26 -4.991 2.765 21.834 1.00 0.00 O ATOM 412 NE2 GLN A 26 -7.098 3.538 21.755 1.00 0.00 N ATOM 0 H GLN A 26 -5.725 1.877 16.781 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.696 1.994 18.795 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.589 1.110 18.663 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.640 0.847 20.112 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.292 3.579 19.233 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.003 3.210 19.305 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.907 3.774 21.180 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.136 3.666 22.766 1.00 0.00 H new ATOM 421 N PHE A 27 -4.620 -0.953 17.635 1.00 0.00 N ATOM 422 CA PHE A 27 -4.240 -2.361 17.574 1.00 0.00 C ATOM 423 C PHE A 27 -3.505 -2.673 16.274 1.00 0.00 C ATOM 424 O PHE A 27 -3.520 -3.809 15.800 1.00 0.00 O ATOM 425 CB PHE A 27 -5.479 -3.250 17.698 1.00 0.00 C ATOM 426 CG PHE A 27 -6.041 -3.308 19.090 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.394 -4.026 20.083 1.00 0.00 C ATOM 428 CD2 PHE A 27 -7.217 -2.646 19.404 1.00 0.00 C ATOM 429 CE1 PHE A 27 -5.909 -4.082 21.364 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.737 -2.699 20.683 1.00 0.00 C ATOM 431 CZ PHE A 27 -7.082 -3.417 21.665 1.00 0.00 C ATOM 0 H PHE A 27 -5.409 -0.703 17.040 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.568 -2.566 18.407 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.249 -2.883 17.019 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.225 -4.260 17.375 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.477 -4.548 19.853 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.733 -2.082 18.641 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.395 -4.645 22.129 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.655 -2.179 20.915 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.486 -3.458 22.666 1.00 0.00 H new ATOM 441 N ALA A 28 -2.862 -1.659 15.703 1.00 0.00 N ATOM 442 CA ALA A 28 -2.123 -1.828 14.458 1.00 0.00 C ATOM 443 C ALA A 28 -0.851 -2.639 14.681 1.00 0.00 C ATOM 444 O ALA A 28 -0.014 -2.283 15.510 1.00 0.00 O ATOM 445 CB ALA A 28 -1.786 -0.473 13.857 1.00 0.00 C ATOM 0 H ALA A 28 -2.838 -0.713 16.083 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.756 -2.376 13.760 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.234 -0.614 12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.707 0.074 13.653 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.175 0.095 14.559 1.00 0.00 H new ATOM 451 N THR A 29 -0.712 -3.728 13.934 1.00 0.00 N ATOM 452 CA THR A 29 0.460 -4.588 14.048 1.00 0.00 C ATOM 453 C THR A 29 0.783 -5.249 12.712 1.00 0.00 C ATOM 454 O THR A 29 -0.113 -5.691 11.993 1.00 0.00 O ATOM 455 CB THR A 29 0.234 -5.658 15.117 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.229 -5.073 16.322 1.00 0.00 O ATOM 457 CG2 THR A 29 1.481 -6.451 15.442 1.00 0.00 C ATOM 0 H THR A 29 -1.396 -4.036 13.243 1.00 0.00 H new ATOM 0 HA THR A 29 1.306 -3.966 14.340 1.00 0.00 H new ATOM 0 HB THR A 29 -0.509 -6.335 14.696 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.369 -5.773 16.993 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.251 -7.193 16.207 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.836 -6.955 14.543 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.255 -5.777 15.810 1.00 0.00 H new ATOM 465 N LEU A 30 2.070 -5.311 12.385 1.00 0.00 N ATOM 466 CA LEU A 30 2.513 -5.917 11.135 1.00 0.00 C ATOM 467 C LEU A 30 3.189 -7.261 11.391 1.00 0.00 C ATOM 468 O LEU A 30 3.804 -7.468 12.437 1.00 0.00 O ATOM 469 CB LEU A 30 3.476 -4.981 10.403 1.00 0.00 C ATOM 470 CG LEU A 30 2.823 -3.757 9.758 1.00 0.00 C ATOM 471 CD1 LEU A 30 3.879 -2.848 9.149 1.00 0.00 C ATOM 472 CD2 LEU A 30 1.815 -4.188 8.703 1.00 0.00 C ATOM 0 H LEU A 30 2.824 -4.949 12.969 1.00 0.00 H new ATOM 0 HA LEU A 30 1.635 -6.085 10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.234 -4.640 11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.993 -5.549 9.629 1.00 0.00 H new ATOM 0 HG LEU A 30 2.295 -3.199 10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.396 -1.983 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.564 -2.514 9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.434 -3.395 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.359 -3.306 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.321 -4.768 7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.041 -4.799 9.167 1.00 0.00 H new ATOM 484 N SER A 31 3.070 -8.169 10.428 1.00 0.00 N ATOM 485 CA SER A 31 3.670 -9.492 10.548 1.00 0.00 C ATOM 486 C SER A 31 5.185 -9.392 10.684 1.00 0.00 C ATOM 487 O SER A 31 5.761 -8.313 10.544 1.00 0.00 O ATOM 488 CB SER A 31 3.311 -10.348 9.332 1.00 0.00 C ATOM 489 OG SER A 31 4.043 -11.562 9.327 1.00 0.00 O ATOM 0 H SER A 31 2.564 -8.013 9.556 1.00 0.00 H new ATOM 0 HA SER A 31 3.273 -9.964 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.243 -10.564 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.518 -9.791 8.418 1.00 0.00 H new ATOM 0 HG SER A 31 3.794 -12.091 8.541 1.00 0.00 H new ATOM 495 N ALA A 32 5.827 -10.523 10.957 1.00 0.00 N ATOM 496 CA ALA A 32 7.276 -10.562 11.112 1.00 0.00 C ATOM 497 C ALA A 32 7.978 -10.821 9.779 1.00 0.00 C ATOM 498 O ALA A 32 9.206 -10.879 9.718 1.00 0.00 O ATOM 499 CB ALA A 32 7.667 -11.625 12.128 1.00 0.00 C ATOM 0 H ALA A 32 5.366 -11.425 11.075 1.00 0.00 H new ATOM 0 HA ALA A 32 7.598 -9.585 11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.752 -11.645 12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.211 -11.393 13.091 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.318 -12.600 11.787 1.00 0.00 H new ATOM 505 N ARG A 33 7.196 -10.976 8.712 1.00 0.00 N ATOM 506 CA ARG A 33 7.755 -11.227 7.389 1.00 0.00 C ATOM 507 C ARG A 33 7.868 -9.933 6.585 1.00 0.00 C ATOM 508 O ARG A 33 7.935 -9.961 5.356 1.00 0.00 O ATOM 509 CB ARG A 33 6.891 -12.240 6.633 1.00 0.00 C ATOM 510 CG ARG A 33 7.544 -13.605 6.485 1.00 0.00 C ATOM 511 CD ARG A 33 8.561 -13.618 5.354 1.00 0.00 C ATOM 512 NE ARG A 33 9.831 -14.211 5.767 1.00 0.00 N ATOM 513 CZ ARG A 33 10.978 -14.035 5.115 1.00 0.00 C ATOM 514 NH1 ARG A 33 11.019 -13.286 4.020 1.00 0.00 N ATOM 515 NH2 ARG A 33 12.087 -14.609 5.559 1.00 0.00 N ATOM 0 H ARG A 33 6.177 -10.932 8.739 1.00 0.00 H new ATOM 0 HA ARG A 33 8.757 -11.637 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.941 -12.355 7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.665 -11.845 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.034 -13.878 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.778 -14.357 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.157 -14.177 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.732 -12.598 5.009 1.00 0.00 H new ATOM 0 HE ARG A 33 9.839 -14.794 6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.169 -12.842 3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.901 -13.155 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.061 -15.185 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.966 -14.474 5.060 1.00 0.00 H new ATOM 529 N PHE A 34 7.888 -8.801 7.283 1.00 0.00 N ATOM 530 CA PHE A 34 7.992 -7.505 6.633 1.00 0.00 C ATOM 531 C PHE A 34 9.376 -7.311 6.021 1.00 0.00 C ATOM 532 O PHE A 34 10.391 -7.616 6.647 1.00 0.00 O ATOM 533 CB PHE A 34 7.700 -6.396 7.643 1.00 0.00 C ATOM 534 CG PHE A 34 8.732 -6.279 8.729 1.00 0.00 C ATOM 535 CD1 PHE A 34 8.663 -7.078 9.858 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.771 -5.368 8.619 1.00 0.00 C ATOM 537 CE1 PHE A 34 9.611 -6.973 10.858 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.722 -5.258 9.616 1.00 0.00 C ATOM 539 CZ PHE A 34 10.642 -6.061 10.736 1.00 0.00 C ATOM 0 H PHE A 34 7.833 -8.759 8.301 1.00 0.00 H new ATOM 0 HA PHE A 34 7.258 -7.461 5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.632 -5.445 7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.726 -6.578 8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.859 -7.792 9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.838 -4.737 7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.546 -7.602 11.733 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.527 -4.544 9.519 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.384 -5.977 11.516 1.00 0.00 H new ATOM 549 N ASP A 35 9.409 -6.802 4.794 1.00 0.00 N ATOM 550 CA ASP A 35 10.669 -6.567 4.097 1.00 0.00 C ATOM 551 C ASP A 35 10.875 -5.079 3.834 1.00 0.00 C ATOM 552 O ASP A 35 10.077 -4.445 3.145 1.00 0.00 O ATOM 553 CB ASP A 35 10.696 -7.339 2.777 1.00 0.00 C ATOM 554 CG ASP A 35 12.083 -7.844 2.430 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.875 -8.093 3.364 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.377 -7.992 1.226 1.00 0.00 O ATOM 0 H ASP A 35 8.578 -6.544 4.262 1.00 0.00 H new ATOM 0 HA ASP A 35 11.480 -6.921 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.010 -8.184 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.336 -6.695 1.975 1.00 0.00 H new ATOM 561 N ARG A 36 11.949 -4.527 4.389 1.00 0.00 N ATOM 562 CA ARG A 36 12.261 -3.112 4.216 1.00 0.00 C ATOM 563 C ARG A 36 12.365 -2.744 2.738 1.00 0.00 C ATOM 564 O ARG A 36 12.199 -1.583 2.365 1.00 0.00 O ATOM 565 CB ARG A 36 13.569 -2.766 4.930 1.00 0.00 C ATOM 566 CG ARG A 36 13.613 -3.219 6.380 1.00 0.00 C ATOM 567 CD ARG A 36 14.583 -2.381 7.198 1.00 0.00 C ATOM 568 NE ARG A 36 15.819 -3.103 7.490 1.00 0.00 N ATOM 569 CZ ARG A 36 16.663 -2.766 8.463 1.00 0.00 C ATOM 570 NH1 ARG A 36 16.409 -1.718 9.238 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.764 -3.477 8.662 1.00 0.00 N ATOM 0 H ARG A 36 12.619 -5.038 4.963 1.00 0.00 H new ATOM 0 HA ARG A 36 11.447 -2.535 4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.399 -3.223 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.719 -1.687 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.616 -3.150 6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.908 -4.267 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.818 -1.465 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.107 -2.085 8.133 1.00 0.00 H new ATOM 0 HE ARG A 36 16.049 -3.913 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.564 -1.167 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.059 -1.464 9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.965 -4.283 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.410 -3.218 9.408 1.00 0.00 H new ATOM 585 N HIS A 37 12.643 -3.738 1.899 1.00 0.00 N ATOM 586 CA HIS A 37 12.772 -3.513 0.464 1.00 0.00 C ATOM 587 C HIS A 37 11.423 -3.172 -0.162 1.00 0.00 C ATOM 588 O HIS A 37 11.357 -2.459 -1.164 1.00 0.00 O ATOM 589 CB HIS A 37 13.363 -4.750 -0.215 1.00 0.00 C ATOM 590 CG HIS A 37 14.860 -4.746 -0.265 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.605 -5.855 -0.606 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.752 -3.758 -0.016 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.890 -5.550 -0.563 1.00 0.00 C ATOM 594 NE2 HIS A 37 17.005 -4.284 -0.208 1.00 0.00 N ATOM 0 H HIS A 37 12.783 -4.706 2.189 1.00 0.00 H new ATOM 0 HA HIS A 37 13.443 -2.667 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.027 -5.641 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.974 -4.818 -1.231 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.521 -2.745 0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.707 -6.222 -0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.883 -3.778 -0.095 1.00 0.00 H new ATOM 603 N LEU A 38 10.351 -3.685 0.432 1.00 0.00 N ATOM 604 CA LEU A 38 9.006 -3.434 -0.074 1.00 0.00 C ATOM 605 C LEU A 38 8.243 -2.475 0.838 1.00 0.00 C ATOM 606 O LEU A 38 7.301 -1.812 0.405 1.00 0.00 O ATOM 607 CB LEU A 38 8.236 -4.749 -0.210 1.00 0.00 C ATOM 608 CG LEU A 38 8.920 -5.812 -1.070 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.362 -7.192 -0.758 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.755 -5.489 -2.547 1.00 0.00 C ATOM 0 H LEU A 38 10.387 -4.276 1.263 1.00 0.00 H new ATOM 0 HA LEU A 38 9.099 -2.970 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.070 -5.160 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.255 -4.536 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 38 9.984 -5.812 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.861 -7.935 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.533 -7.424 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.292 -7.207 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.248 -6.256 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.694 -5.460 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.204 -4.519 -2.760 1.00 0.00 H new ATOM 622 N PHE A 39 8.654 -2.407 2.100 1.00 0.00 N ATOM 623 CA PHE A 39 8.007 -1.530 3.068 1.00 0.00 C ATOM 624 C PHE A 39 8.948 -0.410 3.500 1.00 0.00 C ATOM 625 O PHE A 39 10.167 -0.581 3.519 1.00 0.00 O ATOM 626 CB PHE A 39 7.553 -2.331 4.290 1.00 0.00 C ATOM 627 CG PHE A 39 6.111 -2.745 4.235 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.118 -1.813 3.974 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.747 -4.065 4.443 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.790 -2.191 3.922 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.420 -4.449 4.393 1.00 0.00 C ATOM 632 CZ PHE A 39 3.441 -3.511 4.132 1.00 0.00 C ATOM 0 H PHE A 39 9.432 -2.949 2.476 1.00 0.00 H new ATOM 0 HA PHE A 39 7.135 -1.084 2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.175 -3.222 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.717 -1.734 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.386 -0.780 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.509 -4.803 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.026 -1.456 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.149 -5.481 4.558 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.404 -3.809 4.092 1.00 0.00 H new ATOM 642 N GLN A 40 8.373 0.737 3.846 1.00 0.00 N ATOM 643 CA GLN A 40 9.159 1.886 4.278 1.00 0.00 C ATOM 644 C GLN A 40 9.589 1.734 5.734 1.00 0.00 C ATOM 645 O GLN A 40 9.120 0.841 6.440 1.00 0.00 O ATOM 646 CB GLN A 40 8.355 3.176 4.102 1.00 0.00 C ATOM 647 CG GLN A 40 9.106 4.262 3.348 1.00 0.00 C ATOM 648 CD GLN A 40 8.329 4.795 2.160 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.125 4.569 2.040 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.016 5.505 1.273 1.00 0.00 N ATOM 0 H GLN A 40 7.365 0.895 3.836 1.00 0.00 H new ATOM 0 HA GLN A 40 10.054 1.937 3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.431 2.949 3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.073 3.556 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.329 5.083 4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.061 3.865 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.013 5.668 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.547 5.888 0.452 1.00 0.00 H new ATOM 659 N THR A 41 10.484 2.611 6.176 1.00 0.00 N ATOM 660 CA THR A 41 10.975 2.575 7.548 1.00 0.00 C ATOM 661 C THR A 41 9.846 2.840 8.540 1.00 0.00 C ATOM 662 O THR A 41 9.914 2.426 9.697 1.00 0.00 O ATOM 663 CB THR A 41 12.091 3.603 7.740 1.00 0.00 C ATOM 664 OG1 THR A 41 11.564 4.917 7.764 1.00 0.00 O ATOM 665 CG2 THR A 41 13.145 3.550 6.654 1.00 0.00 C ATOM 0 H THR A 41 10.884 3.355 5.604 1.00 0.00 H new ATOM 0 HA THR A 41 11.372 1.578 7.738 1.00 0.00 H new ATOM 0 HB THR A 41 12.559 3.349 8.691 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.293 5.560 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.907 4.304 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.606 2.562 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.681 3.745 5.687 1.00 0.00 H new ATOM 673 N ARG A 42 8.808 3.533 8.080 1.00 0.00 N ATOM 674 CA ARG A 42 7.666 3.852 8.930 1.00 0.00 C ATOM 675 C ARG A 42 6.554 2.816 8.775 1.00 0.00 C ATOM 676 O ARG A 42 5.400 3.078 9.114 1.00 0.00 O ATOM 677 CB ARG A 42 7.131 5.246 8.595 1.00 0.00 C ATOM 678 CG ARG A 42 7.692 6.342 9.486 1.00 0.00 C ATOM 679 CD ARG A 42 6.713 6.723 10.585 1.00 0.00 C ATOM 680 NE ARG A 42 5.440 7.195 10.046 1.00 0.00 N ATOM 681 CZ ARG A 42 4.517 7.826 10.768 1.00 0.00 C ATOM 682 NH1 ARG A 42 4.722 8.063 12.058 1.00 0.00 N ATOM 683 NH2 ARG A 42 3.387 8.222 10.199 1.00 0.00 N ATOM 0 H ARG A 42 8.735 3.884 7.125 1.00 0.00 H new ATOM 0 HA ARG A 42 8.004 3.836 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.367 5.477 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.044 5.240 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.628 6.006 9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.923 7.220 8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.537 5.861 11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.153 7.501 11.209 1.00 0.00 H new ATOM 0 HE ARG A 42 5.247 7.031 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.590 7.761 12.500 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.011 8.547 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.225 8.043 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.680 8.706 10.752 1.00 0.00 H new ATOM 697 N ALA A 43 6.906 1.639 8.264 1.00 0.00 N ATOM 698 CA ALA A 43 5.934 0.570 8.071 1.00 0.00 C ATOM 699 C ALA A 43 6.104 -0.519 9.124 1.00 0.00 C ATOM 700 O ALA A 43 6.643 -1.590 8.844 1.00 0.00 O ATOM 701 CB ALA A 43 6.067 -0.018 6.674 1.00 0.00 C ATOM 0 H ALA A 43 7.856 1.403 7.977 1.00 0.00 H new ATOM 0 HA ALA A 43 4.936 0.994 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.335 -0.815 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.890 0.761 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.071 -0.422 6.543 1.00 0.00 H new ATOM 707 N THR A 44 5.644 -0.236 10.339 1.00 0.00 N ATOM 708 CA THR A 44 5.747 -1.191 11.438 1.00 0.00 C ATOM 709 C THR A 44 4.369 -1.685 11.866 1.00 0.00 C ATOM 710 O THR A 44 4.228 -2.800 12.367 1.00 0.00 O ATOM 711 CB THR A 44 6.462 -0.551 12.629 1.00 0.00 C ATOM 712 OG1 THR A 44 5.655 0.453 13.217 1.00 0.00 O ATOM 713 CG2 THR A 44 7.787 0.082 12.264 1.00 0.00 C ATOM 0 H THR A 44 5.197 0.646 10.588 1.00 0.00 H new ATOM 0 HA THR A 44 6.325 -2.046 11.088 1.00 0.00 H new ATOM 0 HB THR A 44 6.648 -1.368 13.326 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.129 0.849 13.978 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.240 0.517 13.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.452 -0.677 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.625 0.863 11.521 1.00 0.00 H new ATOM 721 N THR A 45 3.355 -0.847 11.671 1.00 0.00 N ATOM 722 CA THR A 45 1.989 -1.201 12.043 1.00 0.00 C ATOM 723 C THR A 45 1.042 -1.044 10.856 1.00 0.00 C ATOM 724 O THR A 45 1.405 -0.465 9.832 1.00 0.00 O ATOM 725 CB THR A 45 1.513 -0.330 13.208 1.00 0.00 C ATOM 726 OG1 THR A 45 1.069 0.932 12.743 1.00 0.00 O ATOM 727 CG2 THR A 45 2.582 -0.084 14.252 1.00 0.00 C ATOM 0 H THR A 45 3.453 0.081 11.258 1.00 0.00 H new ATOM 0 HA THR A 45 1.984 -2.246 12.353 1.00 0.00 H new ATOM 0 HB THR A 45 0.700 -0.890 13.670 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.767 1.473 13.503 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.176 0.540 15.048 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.910 -1.036 14.669 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.431 0.422 13.792 1.00 0.00 H new ATOM 735 N LEU A 46 -0.172 -1.567 11.000 1.00 0.00 N ATOM 736 CA LEU A 46 -1.172 -1.486 9.941 1.00 0.00 C ATOM 737 C LEU A 46 -1.491 -0.034 9.598 1.00 0.00 C ATOM 738 O LEU A 46 -1.387 0.379 8.443 1.00 0.00 O ATOM 739 CB LEU A 46 -2.450 -2.214 10.362 1.00 0.00 C ATOM 740 CG LEU A 46 -2.278 -3.704 10.657 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.336 -4.179 11.641 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.344 -4.511 9.369 1.00 0.00 C ATOM 0 H LEU A 46 -0.487 -2.052 11.840 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.761 -1.967 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.851 -1.727 11.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.193 -2.099 9.572 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.298 -3.856 11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.198 -5.242 11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.243 -3.621 12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.327 -4.015 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.220 -5.570 9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.310 -4.354 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.549 -4.189 8.697 1.00 0.00 H new ATOM 754 N GLN A 47 -1.878 0.738 10.607 1.00 0.00 N ATOM 755 CA GLN A 47 -2.210 2.144 10.410 1.00 0.00 C ATOM 756 C GLN A 47 -1.001 2.919 9.896 1.00 0.00 C ATOM 757 O GLN A 47 -1.145 3.914 9.185 1.00 0.00 O ATOM 758 CB GLN A 47 -2.709 2.761 11.718 1.00 0.00 C ATOM 759 CG GLN A 47 -3.123 4.217 11.584 1.00 0.00 C ATOM 760 CD GLN A 47 -4.566 4.375 11.145 1.00 0.00 C ATOM 761 OE1 GLN A 47 -5.120 3.508 10.470 1.00 0.00 O ATOM 762 NE2 GLN A 47 -5.182 5.488 11.528 1.00 0.00 N ATOM 0 H GLN A 47 -1.970 0.414 11.570 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.003 2.204 9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.558 2.183 12.082 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.924 2.683 12.470 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.981 4.721 12.540 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.472 4.711 10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.684 6.180 12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.153 5.650 11.263 1.00 0.00 H new ATOM 771 N ALA A 48 0.191 2.457 10.261 1.00 0.00 N ATOM 772 CA ALA A 48 1.425 3.107 9.836 1.00 0.00 C ATOM 773 C ALA A 48 1.699 2.854 8.358 1.00 0.00 C ATOM 774 O ALA A 48 1.897 3.792 7.585 1.00 0.00 O ATOM 775 CB ALA A 48 2.593 2.625 10.682 1.00 0.00 C ATOM 0 H ALA A 48 0.328 1.635 10.850 1.00 0.00 H new ATOM 0 HA ALA A 48 1.308 4.181 9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.508 3.118 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.407 2.864 11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.702 1.546 10.570 1.00 0.00 H new ATOM 781 N CYS A 49 1.707 1.583 7.968 1.00 0.00 N ATOM 782 CA CYS A 49 1.956 1.213 6.580 1.00 0.00 C ATOM 783 C CYS A 49 0.875 1.783 5.667 1.00 0.00 C ATOM 784 O CYS A 49 1.162 2.242 4.561 1.00 0.00 O ATOM 785 CB CYS A 49 2.017 -0.309 6.434 1.00 0.00 C ATOM 786 SG CYS A 49 0.462 -1.153 6.806 1.00 0.00 S ATOM 0 H CYS A 49 1.544 0.793 8.593 1.00 0.00 H new ATOM 0 HA CYS A 49 2.917 1.633 6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.315 -0.553 5.414 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.794 -0.695 7.094 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.276 -0.391 7.558 1.00 0.00 H new ATOM 792 N LEU A 50 -0.367 1.755 6.139 1.00 0.00 N ATOM 793 CA LEU A 50 -1.488 2.275 5.365 1.00 0.00 C ATOM 794 C LEU A 50 -1.308 3.766 5.097 1.00 0.00 C ATOM 795 O LEU A 50 -1.478 4.230 3.969 1.00 0.00 O ATOM 796 CB LEU A 50 -2.805 2.028 6.106 1.00 0.00 C ATOM 797 CG LEU A 50 -3.620 0.837 5.597 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.904 0.687 6.398 1.00 0.00 C ATOM 799 CD2 LEU A 50 -3.930 0.999 4.116 1.00 0.00 C ATOM 0 H LEU A 50 -0.622 1.378 7.052 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.518 1.752 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.587 1.874 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.419 2.926 6.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.027 -0.068 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.470 -0.165 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.661 0.526 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.502 1.593 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.510 0.143 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.504 1.913 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.998 1.057 3.553 1.00 0.00 H new ATOM 811 N ASP A 51 -0.958 4.510 6.142 1.00 0.00 N ATOM 812 CA ASP A 51 -0.748 5.947 6.020 1.00 0.00 C ATOM 813 C ASP A 51 0.374 6.242 5.031 1.00 0.00 C ATOM 814 O ASP A 51 0.281 7.172 4.229 1.00 0.00 O ATOM 815 CB ASP A 51 -0.416 6.554 7.384 1.00 0.00 C ATOM 816 CG ASP A 51 -1.654 6.799 8.225 1.00 0.00 C ATOM 817 OD1 ASP A 51 -2.585 5.968 8.166 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.692 7.820 8.942 1.00 0.00 O ATOM 0 H ASP A 51 -0.814 4.141 7.082 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.668 6.397 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.258 5.887 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.114 7.495 7.240 1.00 0.00 H new ATOM 823 N GLU A 52 1.433 5.441 5.091 1.00 0.00 N ATOM 824 CA GLU A 52 2.572 5.612 4.197 1.00 0.00 C ATOM 825 C GLU A 52 2.143 5.446 2.743 1.00 0.00 C ATOM 826 O GLU A 52 2.600 6.177 1.864 1.00 0.00 O ATOM 827 CB GLU A 52 3.670 4.602 4.536 1.00 0.00 C ATOM 828 CG GLU A 52 4.661 5.106 5.572 1.00 0.00 C ATOM 829 CD GLU A 52 5.829 5.847 4.951 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.585 6.764 4.138 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.987 5.510 5.276 1.00 0.00 O ATOM 0 H GLU A 52 1.526 4.667 5.749 1.00 0.00 H new ATOM 0 HA GLU A 52 2.964 6.620 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.208 3.685 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.209 4.345 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.147 5.766 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.037 4.262 6.150 1.00 0.00 H new ATOM 838 N ALA A 53 1.259 4.484 2.499 1.00 0.00 N ATOM 839 CA ALA A 53 0.764 4.226 1.153 1.00 0.00 C ATOM 840 C ALA A 53 0.011 5.436 0.613 1.00 0.00 C ATOM 841 O ALA A 53 0.211 5.845 -0.530 1.00 0.00 O ATOM 842 CB ALA A 53 -0.131 2.997 1.146 1.00 0.00 C ATOM 0 H ALA A 53 0.871 3.871 3.216 1.00 0.00 H new ATOM 0 HA ALA A 53 1.619 4.039 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.493 2.817 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.437 2.132 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.979 3.161 1.811 1.00 0.00 H new ATOM 848 N GLY A 54 -0.852 6.009 1.447 1.00 0.00 N ATOM 849 CA GLY A 54 -1.617 7.171 1.036 1.00 0.00 C ATOM 850 C GLY A 54 -0.728 8.346 0.681 1.00 0.00 C ATOM 851 O GLY A 54 -1.016 9.091 -0.256 1.00 0.00 O ATOM 0 H GLY A 54 -1.034 5.689 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.234 6.912 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.295 7.460 1.839 1.00 0.00 H new ATOM 855 N ASP A 55 0.358 8.507 1.429 1.00 0.00 N ATOM 856 CA ASP A 55 1.297 9.596 1.187 1.00 0.00 C ATOM 857 C ASP A 55 2.109 9.336 -0.078 1.00 0.00 C ATOM 858 O ASP A 55 2.494 10.268 -0.783 1.00 0.00 O ATOM 859 CB ASP A 55 2.233 9.765 2.387 1.00 0.00 C ATOM 860 CG ASP A 55 2.129 11.142 3.013 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.818 12.066 2.534 1.00 0.00 O ATOM 862 OD2 ASP A 55 1.357 11.296 3.983 1.00 0.00 O ATOM 0 H ASP A 55 0.610 7.898 2.207 1.00 0.00 H new ATOM 0 HA ASP A 55 0.728 10.515 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.998 9.010 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.261 9.590 2.070 1.00 0.00 H new ATOM 867 N ASN A 56 2.364 8.062 -0.359 1.00 0.00 N ATOM 868 CA ASN A 56 3.127 7.677 -1.539 1.00 0.00 C ATOM 869 C ASN A 56 2.364 8.029 -2.813 1.00 0.00 C ATOM 870 O ASN A 56 2.870 8.752 -3.672 1.00 0.00 O ATOM 871 CB ASN A 56 3.435 6.179 -1.508 1.00 0.00 C ATOM 872 CG ASN A 56 4.835 5.887 -1.002 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.824 6.313 -1.598 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.925 5.157 0.104 1.00 0.00 N ATOM 0 H ASN A 56 2.053 7.279 0.216 1.00 0.00 H new ATOM 0 HA ASN A 56 4.066 8.230 -1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.709 5.675 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.320 5.766 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.841 4.929 0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.079 4.824 0.566 1.00 0.00 H new ATOM 881 N LEU A 57 1.143 7.515 -2.926 1.00 0.00 N ATOM 882 CA LEU A 57 0.310 7.780 -4.093 1.00 0.00 C ATOM 883 C LEU A 57 0.040 9.274 -4.233 1.00 0.00 C ATOM 884 O LEU A 57 0.030 9.812 -5.340 1.00 0.00 O ATOM 885 CB LEU A 57 -1.012 7.017 -3.987 1.00 0.00 C ATOM 886 CG LEU A 57 -1.823 7.297 -2.720 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.844 8.395 -2.972 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.510 6.029 -2.234 1.00 0.00 C ATOM 0 H LEU A 57 0.710 6.914 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 57 0.845 7.439 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.626 7.262 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.802 5.949 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.139 7.636 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.411 8.581 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.330 9.308 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.524 8.085 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.082 6.248 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.182 5.659 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.759 5.270 -2.012 1.00 0.00 H new ATOM 900 N ALA A 58 -0.172 9.938 -3.102 1.00 0.00 N ATOM 901 CA ALA A 58 -0.436 11.371 -3.096 1.00 0.00 C ATOM 902 C ALA A 58 0.750 12.143 -3.660 1.00 0.00 C ATOM 903 O ALA A 58 0.587 13.032 -4.496 1.00 0.00 O ATOM 904 CB ALA A 58 -0.754 11.844 -1.686 1.00 0.00 C ATOM 0 H ALA A 58 -0.166 9.506 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.300 11.562 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.949 12.916 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.635 11.319 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.093 11.636 -1.033 1.00 0.00 H new ATOM 910 N ALA A 59 1.947 11.793 -3.199 1.00 0.00 N ATOM 911 CA ALA A 59 3.164 12.449 -3.658 1.00 0.00 C ATOM 912 C ALA A 59 3.389 12.203 -5.145 1.00 0.00 C ATOM 913 O ALA A 59 3.976 13.032 -5.840 1.00 0.00 O ATOM 914 CB ALA A 59 4.360 11.964 -2.852 1.00 0.00 C ATOM 0 H ALA A 59 2.099 11.058 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 59 3.051 13.523 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.263 12.462 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.207 12.196 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.469 10.886 -2.975 1.00 0.00 H new ATOM 920 N LEU A 60 2.916 11.058 -5.629 1.00 0.00 N ATOM 921 CA LEU A 60 3.063 10.706 -7.036 1.00 0.00 C ATOM 922 C LEU A 60 2.246 11.645 -7.917 1.00 0.00 C ATOM 923 O LEU A 60 2.748 12.178 -8.906 1.00 0.00 O ATOM 924 CB LEU A 60 2.627 9.257 -7.271 1.00 0.00 C ATOM 925 CG LEU A 60 2.668 8.796 -8.729 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.035 8.226 -9.071 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.579 7.767 -8.992 1.00 0.00 C ATOM 0 H LEU A 60 2.428 10.360 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 60 4.115 10.808 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.267 8.601 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.611 9.134 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 60 2.488 9.660 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.045 7.903 -10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.796 8.992 -8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.246 7.374 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.622 7.450 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.729 6.904 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.604 8.209 -8.788 1.00 0.00 H new ATOM 939 N ARG A 61 0.984 11.846 -7.549 1.00 0.00 N ATOM 940 CA ARG A 61 0.100 12.724 -8.306 1.00 0.00 C ATOM 941 C ARG A 61 0.643 14.149 -8.331 1.00 0.00 C ATOM 942 O ARG A 61 0.636 14.809 -9.370 1.00 0.00 O ATOM 943 CB ARG A 61 -1.306 12.712 -7.703 1.00 0.00 C ATOM 944 CG ARG A 61 -2.295 13.594 -8.449 1.00 0.00 C ATOM 945 CD ARG A 61 -3.213 14.339 -7.492 1.00 0.00 C ATOM 946 NE ARG A 61 -4.558 13.769 -7.469 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.395 13.804 -8.503 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.030 14.377 -9.643 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.602 13.263 -8.397 1.00 0.00 N ATOM 0 H ARG A 61 0.552 11.413 -6.733 1.00 0.00 H new ATOM 0 HA ARG A 61 0.050 12.354 -9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.680 11.688 -7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.250 13.040 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.752 14.311 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.892 12.981 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.790 14.311 -6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.268 15.387 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.874 13.318 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.103 14.794 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.676 14.400 -10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.888 12.821 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.244 13.289 -9.189 1.00 0.00 H new ATOM 963 N HIS A 62 1.114 14.616 -7.179 1.00 0.00 N ATOM 964 CA HIS A 62 1.664 15.963 -7.067 1.00 0.00 C ATOM 965 C HIS A 62 3.043 16.044 -7.716 1.00 0.00 C ATOM 966 O HIS A 62 3.465 17.108 -8.169 1.00 0.00 O ATOM 967 CB HIS A 62 1.754 16.378 -5.598 1.00 0.00 C ATOM 968 CG HIS A 62 1.855 17.858 -5.399 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.917 18.589 -4.701 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.792 18.745 -5.809 1.00 0.00 C ATOM 971 CE1 HIS A 62 1.272 19.862 -4.692 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.406 19.983 -5.356 1.00 0.00 N ATOM 0 H HIS A 62 1.126 14.082 -6.310 1.00 0.00 H new ATOM 0 HA HIS A 62 0.996 16.646 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.875 16.008 -5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.623 15.899 -5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.678 18.521 -6.385 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.727 20.667 -4.221 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.914 20.855 -5.508 1.00 0.00 H new ATOM 981 N ALA A 63 3.741 14.912 -7.756 1.00 0.00 N ATOM 982 CA ALA A 63 5.073 14.852 -8.347 1.00 0.00 C ATOM 983 C ALA A 63 5.071 15.387 -9.777 1.00 0.00 C ATOM 984 O ALA A 63 6.088 15.875 -10.268 1.00 0.00 O ATOM 985 CB ALA A 63 5.595 13.422 -8.316 1.00 0.00 C ATOM 0 H ALA A 63 3.405 14.023 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 63 5.734 15.485 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.590 13.388 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.646 13.076 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.923 12.777 -8.882 1.00 0.00 H new ATOM 991 N VAL A 64 3.921 15.292 -10.440 1.00 0.00 N ATOM 992 CA VAL A 64 3.788 15.766 -11.814 1.00 0.00 C ATOM 993 C VAL A 64 4.260 17.211 -11.951 1.00 0.00 C ATOM 994 O VAL A 64 4.721 17.625 -13.014 1.00 0.00 O ATOM 995 CB VAL A 64 2.330 15.669 -12.301 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.884 14.216 -12.365 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.410 16.478 -11.400 1.00 0.00 C ATOM 0 H VAL A 64 3.069 14.891 -10.048 1.00 0.00 H new ATOM 0 HA VAL A 64 4.416 15.123 -12.430 1.00 0.00 H new ATOM 0 HB VAL A 64 2.274 16.087 -13.306 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.852 14.167 -12.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.525 13.669 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.956 13.769 -11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.384 16.397 -11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.468 16.094 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.717 17.524 -11.411 1.00 0.00 H new ATOM 1007 N GLU A 65 4.142 17.973 -10.868 1.00 0.00 N ATOM 1008 CA GLU A 65 4.559 19.371 -10.871 1.00 0.00 C ATOM 1009 C GLU A 65 6.078 19.484 -10.942 1.00 0.00 C ATOM 1010 O GLU A 65 6.613 20.443 -11.499 1.00 0.00 O ATOM 1011 CB GLU A 65 4.040 20.082 -9.619 1.00 0.00 C ATOM 1012 CG GLU A 65 3.580 21.507 -9.877 1.00 0.00 C ATOM 1013 CD GLU A 65 2.708 22.050 -8.762 1.00 0.00 C ATOM 1014 OE1 GLU A 65 1.619 21.484 -8.531 1.00 0.00 O ATOM 1015 OE2 GLU A 65 3.115 23.040 -8.118 1.00 0.00 O ATOM 0 H GLU A 65 3.762 17.647 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 65 4.135 19.850 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.210 19.510 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.827 20.094 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.452 22.150 -9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.027 21.542 -10.815 1.00 0.00 H new ATOM 1022 N GLN A 66 6.768 18.499 -10.376 1.00 0.00 N ATOM 1023 CA GLN A 66 8.227 18.488 -10.376 1.00 0.00 C ATOM 1024 C GLN A 66 8.780 17.902 -11.675 1.00 0.00 C ATOM 1025 O GLN A 66 9.993 17.884 -11.888 1.00 0.00 O ATOM 1026 CB GLN A 66 8.749 17.688 -9.181 1.00 0.00 C ATOM 1027 CG GLN A 66 9.981 18.298 -8.533 1.00 0.00 C ATOM 1028 CD GLN A 66 10.644 17.359 -7.543 1.00 0.00 C ATOM 1029 OE1 GLN A 66 10.191 17.216 -6.408 1.00 0.00 O ATOM 1030 NE2 GLN A 66 11.723 16.714 -7.970 1.00 0.00 N ATOM 0 H GLN A 66 6.340 17.698 -9.911 1.00 0.00 H new ATOM 0 HA GLN A 66 8.568 19.520 -10.297 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.958 17.607 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.984 16.675 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.698 18.569 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.700 19.219 -8.023 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.064 16.863 -8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.211 16.069 -7.348 1.00 0.00 H new ATOM 1039 N GLN A 67 7.890 17.422 -12.542 1.00 0.00 N ATOM 1040 CA GLN A 67 8.302 16.838 -13.813 1.00 0.00 C ATOM 1041 C GLN A 67 9.138 15.581 -13.588 1.00 0.00 C ATOM 1042 O GLN A 67 10.217 15.427 -14.160 1.00 0.00 O ATOM 1043 CB GLN A 67 9.097 17.856 -14.635 1.00 0.00 C ATOM 1044 CG GLN A 67 8.420 19.213 -14.740 1.00 0.00 C ATOM 1045 CD GLN A 67 7.537 19.331 -15.967 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.001 19.696 -17.048 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.256 19.020 -15.806 1.00 0.00 N ATOM 0 H GLN A 67 6.882 17.427 -12.386 1.00 0.00 H new ATOM 0 HA GLN A 67 7.404 16.561 -14.365 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.082 17.984 -14.186 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.253 17.458 -15.638 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.819 19.385 -13.847 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.181 19.993 -14.768 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.914 18.722 -14.892 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.614 19.079 -16.596 1.00 0.00 H new ATOM 1056 N GLN A 68 8.631 14.684 -12.748 1.00 0.00 N ATOM 1057 CA GLN A 68 9.327 13.439 -12.444 1.00 0.00 C ATOM 1058 C GLN A 68 8.507 12.233 -12.893 1.00 0.00 C ATOM 1059 O GLN A 68 8.481 11.202 -12.221 1.00 0.00 O ATOM 1060 CB GLN A 68 9.616 13.344 -10.944 1.00 0.00 C ATOM 1061 CG GLN A 68 8.363 13.279 -10.087 1.00 0.00 C ATOM 1062 CD GLN A 68 8.572 12.492 -8.808 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.503 12.757 -8.048 1.00 0.00 O ATOM 1064 NE2 GLN A 68 7.704 11.517 -8.564 1.00 0.00 N ATOM 0 H GLN A 68 7.740 14.797 -12.265 1.00 0.00 H new ATOM 0 HA GLN A 68 10.271 13.438 -12.989 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.222 12.458 -10.755 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.209 14.207 -10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.044 14.291 -9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.557 12.823 -10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.947 11.332 -9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.795 10.953 -7.719 1.00 0.00 H new ATOM 1073 N LEU A 69 7.836 12.371 -14.034 1.00 0.00 N ATOM 1074 CA LEU A 69 7.009 11.295 -14.576 1.00 0.00 C ATOM 1075 C LEU A 69 7.758 9.960 -14.575 1.00 0.00 C ATOM 1076 O LEU A 69 7.238 8.952 -14.096 1.00 0.00 O ATOM 1077 CB LEU A 69 6.557 11.642 -15.996 1.00 0.00 C ATOM 1078 CG LEU A 69 5.197 12.334 -16.090 1.00 0.00 C ATOM 1079 CD1 LEU A 69 4.116 11.477 -15.451 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.251 13.705 -15.431 1.00 0.00 C ATOM 0 H LEU A 69 7.849 13.218 -14.602 1.00 0.00 H new ATOM 0 HA LEU A 69 6.134 11.190 -13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.308 12.286 -16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.523 10.725 -16.585 1.00 0.00 H new ATOM 0 HG LEU A 69 4.951 12.467 -17.143 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.155 11.986 -15.528 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.060 10.518 -15.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.356 11.312 -14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.275 14.184 -15.507 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.520 13.593 -14.381 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.997 14.321 -15.933 1.00 0.00 H new ATOM 1092 N PRO A 70 8.993 9.934 -15.109 1.00 0.00 N ATOM 1093 CA PRO A 70 9.802 8.711 -15.160 1.00 0.00 C ATOM 1094 C PRO A 70 9.862 7.998 -13.813 1.00 0.00 C ATOM 1095 O PRO A 70 10.051 6.783 -13.751 1.00 0.00 O ATOM 1096 CB PRO A 70 11.187 9.221 -15.557 1.00 0.00 C ATOM 1097 CG PRO A 70 10.924 10.472 -16.320 1.00 0.00 C ATOM 1098 CD PRO A 70 9.697 11.087 -15.703 1.00 0.00 C ATOM 0 HA PRO A 70 9.388 7.976 -15.851 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.804 9.414 -14.680 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.719 8.490 -16.166 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.774 11.152 -16.258 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.763 10.258 -17.377 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.957 11.830 -14.949 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.083 11.591 -16.449 1.00 0.00 H new ATOM 1106 N GLN A 71 9.699 8.761 -12.737 1.00 0.00 N ATOM 1107 CA GLN A 71 9.734 8.201 -11.390 1.00 0.00 C ATOM 1108 C GLN A 71 8.467 7.402 -11.096 1.00 0.00 C ATOM 1109 O GLN A 71 8.469 6.511 -10.246 1.00 0.00 O ATOM 1110 CB GLN A 71 9.902 9.318 -10.357 1.00 0.00 C ATOM 1111 CG GLN A 71 11.071 9.099 -9.410 1.00 0.00 C ATOM 1112 CD GLN A 71 12.384 8.897 -10.140 1.00 0.00 C ATOM 1113 OE1 GLN A 71 13.152 7.990 -9.820 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.648 9.745 -11.127 1.00 0.00 N ATOM 0 H GLN A 71 9.541 9.768 -12.771 1.00 0.00 H new ATOM 0 HA GLN A 71 10.587 7.525 -11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.039 10.266 -10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.985 9.404 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.159 9.957 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.869 8.229 -8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.982 10.482 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.517 9.659 -11.654 1.00 0.00 H new ATOM 1123 N VAL A 72 7.387 7.724 -11.802 1.00 0.00 N ATOM 1124 CA VAL A 72 6.115 7.034 -11.614 1.00 0.00 C ATOM 1125 C VAL A 72 6.276 5.526 -11.777 1.00 0.00 C ATOM 1126 O VAL A 72 5.556 4.744 -11.155 1.00 0.00 O ATOM 1127 CB VAL A 72 5.051 7.537 -12.609 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.698 6.910 -12.309 1.00 0.00 C ATOM 1129 CG2 VAL A 72 4.962 9.057 -12.576 1.00 0.00 C ATOM 0 H VAL A 72 7.367 8.458 -12.510 1.00 0.00 H new ATOM 0 HA VAL A 72 5.784 7.252 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 72 5.350 7.236 -13.613 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.960 7.278 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.773 5.826 -12.391 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.390 7.177 -11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.205 9.393 -13.285 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.689 9.384 -11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.928 9.484 -12.847 1.00 0.00 H new ATOM 1139 N ALA A 73 7.224 5.123 -12.617 1.00 0.00 N ATOM 1140 CA ALA A 73 7.479 3.708 -12.859 1.00 0.00 C ATOM 1141 C ALA A 73 7.902 3.002 -11.576 1.00 0.00 C ATOM 1142 O ALA A 73 7.319 1.987 -11.192 1.00 0.00 O ATOM 1143 CB ALA A 73 8.543 3.540 -13.933 1.00 0.00 C ATOM 0 H ALA A 73 7.828 5.756 -13.141 1.00 0.00 H new ATOM 0 HA ALA A 73 6.553 3.250 -13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.723 2.479 -14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.202 4.003 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.467 4.017 -13.607 1.00 0.00 H new ATOM 1149 N TRP A 74 8.920 3.545 -10.916 1.00 0.00 N ATOM 1150 CA TRP A 74 9.420 2.968 -9.674 1.00 0.00 C ATOM 1151 C TRP A 74 8.334 2.966 -8.603 1.00 0.00 C ATOM 1152 O TRP A 74 8.154 1.979 -7.889 1.00 0.00 O ATOM 1153 CB TRP A 74 10.641 3.746 -9.180 1.00 0.00 C ATOM 1154 CG TRP A 74 11.721 2.868 -8.627 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.154 1.679 -9.138 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.506 3.110 -7.453 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.160 1.166 -8.355 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.394 2.026 -7.314 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.544 4.137 -6.506 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.309 1.942 -6.268 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.453 4.053 -5.468 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.325 2.962 -5.356 1.00 0.00 C ATOM 0 H TRP A 74 9.414 4.383 -11.221 1.00 0.00 H new ATOM 0 HA TRP A 74 9.713 1.937 -9.872 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.046 4.333 -10.004 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.327 4.451 -8.411 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.763 1.209 -10.028 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.652 0.288 -8.521 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.875 4.981 -6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.982 1.102 -6.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.492 4.842 -4.731 1.00 0.00 H new ATOM 0 HH2 TRP A 74 15.024 2.925 -4.533 1.00 0.00 H new ATOM 1173 N LEU A 75 7.612 4.077 -8.499 1.00 0.00 N ATOM 1174 CA LEU A 75 6.542 4.203 -7.517 1.00 0.00 C ATOM 1175 C LEU A 75 5.423 3.209 -7.808 1.00 0.00 C ATOM 1176 O LEU A 75 4.796 2.677 -6.892 1.00 0.00 O ATOM 1177 CB LEU A 75 5.987 5.629 -7.516 1.00 0.00 C ATOM 1178 CG LEU A 75 6.880 6.670 -6.833 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.215 7.804 -7.791 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.208 7.211 -5.579 1.00 0.00 C ATOM 0 H LEU A 75 7.749 4.902 -9.083 1.00 0.00 H new ATOM 0 HA LEU A 75 6.955 3.982 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.818 5.938 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.016 5.625 -7.021 1.00 0.00 H new ATOM 0 HG LEU A 75 7.811 6.183 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.850 8.532 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.741 7.404 -8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.295 8.289 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.857 7.949 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.261 7.679 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.024 6.393 -4.883 1.00 0.00 H new ATOM 1192 N ALA A 76 5.179 2.960 -9.091 1.00 0.00 N ATOM 1193 CA ALA A 76 4.138 2.027 -9.504 1.00 0.00 C ATOM 1194 C ALA A 76 4.429 0.623 -8.986 1.00 0.00 C ATOM 1195 O ALA A 76 3.574 -0.011 -8.367 1.00 0.00 O ATOM 1196 CB ALA A 76 4.009 2.017 -11.019 1.00 0.00 C ATOM 0 H ALA A 76 5.688 3.392 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 76 3.193 2.358 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.228 1.316 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.750 3.016 -11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.957 1.712 -11.463 1.00 0.00 H new ATOM 1202 N GLU A 77 5.643 0.145 -9.241 1.00 0.00 N ATOM 1203 CA GLU A 77 6.049 -1.184 -8.797 1.00 0.00 C ATOM 1204 C GLU A 77 5.934 -1.306 -7.281 1.00 0.00 C ATOM 1205 O GLU A 77 5.450 -2.312 -6.763 1.00 0.00 O ATOM 1206 CB GLU A 77 7.485 -1.476 -9.238 1.00 0.00 C ATOM 1207 CG GLU A 77 7.875 -2.939 -9.110 1.00 0.00 C ATOM 1208 CD GLU A 77 7.841 -3.670 -10.438 1.00 0.00 C ATOM 1209 OE1 GLU A 77 8.084 -3.022 -11.478 1.00 0.00 O ATOM 1210 OE2 GLU A 77 7.570 -4.889 -10.438 1.00 0.00 O ATOM 0 H GLU A 77 6.362 0.657 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 77 5.382 -1.914 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.608 -1.165 -10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.169 -0.873 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.877 -3.008 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.199 -3.432 -8.411 1.00 0.00 H new ATOM 1217 N HIS A 78 6.380 -0.271 -6.576 1.00 0.00 N ATOM 1218 CA HIS A 78 6.325 -0.258 -5.120 1.00 0.00 C ATOM 1219 C HIS A 78 4.880 -0.317 -4.635 1.00 0.00 C ATOM 1220 O HIS A 78 4.577 -0.963 -3.632 1.00 0.00 O ATOM 1221 CB HIS A 78 7.010 0.996 -4.573 1.00 0.00 C ATOM 1222 CG HIS A 78 7.864 0.736 -3.370 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.212 0.453 -3.449 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.554 0.716 -2.053 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.693 0.271 -2.232 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.707 0.425 -1.368 1.00 0.00 N ATOM 0 H HIS A 78 6.783 0.569 -6.990 1.00 0.00 H new ATOM 0 HA HIS A 78 6.852 -1.138 -4.751 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.626 1.435 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.249 1.733 -4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.580 0.896 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.718 0.036 -1.986 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.789 0.341 -0.355 1.00 0.00 H new ATOM 1235 N LEU A 79 3.992 0.359 -5.357 1.00 0.00 N ATOM 1236 CA LEU A 79 2.578 0.383 -5.003 1.00 0.00 C ATOM 1237 C LEU A 79 1.992 -1.025 -5.030 1.00 0.00 C ATOM 1238 O LEU A 79 1.287 -1.432 -4.106 1.00 0.00 O ATOM 1239 CB LEU A 79 1.805 1.289 -5.964 1.00 0.00 C ATOM 1240 CG LEU A 79 1.727 2.758 -5.545 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.570 3.653 -6.764 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.577 2.974 -4.572 1.00 0.00 C ATOM 0 H LEU A 79 4.227 0.897 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 79 2.486 0.779 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.271 1.232 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.791 0.902 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 79 2.657 3.023 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.516 4.694 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.425 3.519 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.656 3.388 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.536 4.025 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.361 2.692 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.731 2.361 -3.684 1.00 0.00 H new ATOM 1254 N ALA A 80 2.293 -1.766 -6.092 1.00 0.00 N ATOM 1255 CA ALA A 80 1.799 -3.130 -6.236 1.00 0.00 C ATOM 1256 C ALA A 80 2.271 -4.004 -5.080 1.00 0.00 C ATOM 1257 O ALA A 80 1.475 -4.702 -4.450 1.00 0.00 O ATOM 1258 CB ALA A 80 2.250 -3.718 -7.565 1.00 0.00 C ATOM 0 H ALA A 80 2.876 -1.445 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 80 0.710 -3.102 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.874 -4.737 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.861 -3.111 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.339 -3.728 -7.607 1.00 0.00 H new ATOM 1264 N ALA A 81 3.570 -3.958 -4.804 1.00 0.00 N ATOM 1265 CA ALA A 81 4.149 -4.743 -3.720 1.00 0.00 C ATOM 1266 C ALA A 81 3.516 -4.374 -2.384 1.00 0.00 C ATOM 1267 O ALA A 81 3.331 -5.227 -1.515 1.00 0.00 O ATOM 1268 CB ALA A 81 5.655 -4.539 -3.667 1.00 0.00 C ATOM 0 H ALA A 81 4.242 -3.386 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 81 3.944 -5.796 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.074 -5.131 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.098 -4.855 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.874 -3.485 -3.499 1.00 0.00 H new ATOM 1274 N GLN A 82 3.183 -3.097 -2.227 1.00 0.00 N ATOM 1275 CA GLN A 82 2.567 -2.613 -0.998 1.00 0.00 C ATOM 1276 C GLN A 82 1.170 -3.199 -0.828 1.00 0.00 C ATOM 1277 O GLN A 82 0.778 -3.588 0.272 1.00 0.00 O ATOM 1278 CB GLN A 82 2.497 -1.084 -1.004 1.00 0.00 C ATOM 1279 CG GLN A 82 2.788 -0.457 0.350 1.00 0.00 C ATOM 1280 CD GLN A 82 3.417 0.918 0.233 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.420 1.097 -0.458 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.829 1.898 0.910 1.00 0.00 N ATOM 0 H GLN A 82 3.330 -2.379 -2.936 1.00 0.00 H new ATOM 0 HA GLN A 82 3.183 -2.935 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.209 -0.699 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.505 -0.775 -1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.861 -0.381 0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.454 -1.110 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.999 1.704 1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.207 2.844 0.869 1.00 0.00 H new ATOM 1291 N LEU A 83 0.423 -3.263 -1.927 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.930 -3.806 -1.901 1.00 0.00 C ATOM 1293 C LEU A 83 -0.921 -5.255 -1.425 1.00 0.00 C ATOM 1294 O LEU A 83 -1.688 -5.633 -0.539 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.565 -3.711 -3.292 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.789 -2.799 -3.384 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.966 -3.409 -2.638 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -2.467 -1.417 -2.836 1.00 0.00 C ATOM 0 H LEU A 83 0.732 -2.946 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.523 -3.218 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.812 -3.355 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.852 -4.712 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.064 -2.697 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.828 -2.746 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.212 -4.376 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.702 -3.542 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.350 -0.782 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.166 -1.501 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.654 -0.977 -3.414 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.046 -6.061 -2.018 1.00 0.00 N ATOM 1311 CA GLU A 84 0.065 -7.468 -1.652 1.00 0.00 C ATOM 1312 C GLU A 84 0.466 -7.615 -0.188 1.00 0.00 C ATOM 1313 O GLU A 84 0.003 -8.521 0.506 1.00 0.00 O ATOM 1314 CB GLU A 84 1.086 -8.172 -2.547 1.00 0.00 C ATOM 1315 CG GLU A 84 0.681 -8.219 -4.011 1.00 0.00 C ATOM 1316 CD GLU A 84 1.647 -9.025 -4.857 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.643 -8.444 -5.338 1.00 0.00 O ATOM 1318 OE2 GLU A 84 1.407 -10.237 -5.041 1.00 0.00 O ATOM 0 H GLU A 84 0.596 -5.764 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.910 -7.934 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.045 -7.662 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.232 -9.190 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.317 -8.650 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.623 -7.203 -4.401 1.00 0.00 H new ATOM 1325 N ALA A 85 1.328 -6.716 0.277 1.00 0.00 N ATOM 1326 CA ALA A 85 1.791 -6.744 1.659 1.00 0.00 C ATOM 1327 C ALA A 85 0.624 -6.593 2.629 1.00 0.00 C ATOM 1328 O ALA A 85 0.536 -7.311 3.626 1.00 0.00 O ATOM 1329 CB ALA A 85 2.819 -5.647 1.893 1.00 0.00 C ATOM 0 H ALA A 85 1.720 -5.959 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 85 2.260 -7.711 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.156 -5.679 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.670 -5.799 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.368 -4.676 1.688 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.270 -5.656 2.330 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.433 -5.413 3.174 1.00 0.00 C ATOM 1337 C ILE A 86 -2.369 -6.617 3.171 1.00 0.00 C ATOM 1338 O ILE A 86 -2.941 -6.975 4.201 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.213 -4.165 2.714 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -1.279 -2.957 2.619 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.364 -3.874 3.667 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -1.836 -1.826 1.781 1.00 0.00 C ATOM 0 H ILE A 86 -0.211 -5.053 1.510 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.063 -5.244 4.185 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.626 -4.362 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.074 -2.587 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.327 -3.277 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.903 -2.990 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.042 -4.727 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.971 -3.697 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.121 -1.004 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.015 -2.180 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.774 -1.479 2.215 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.519 -7.240 2.006 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.383 -8.405 1.869 1.00 0.00 C ATOM 1356 C ALA A 87 -2.805 -9.606 2.608 1.00 0.00 C ATOM 1357 O ALA A 87 -3.543 -10.453 3.111 1.00 0.00 O ATOM 1358 CB ALA A 87 -3.590 -8.737 0.399 1.00 0.00 C ATOM 0 H ALA A 87 -2.053 -6.957 1.144 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.348 -8.167 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.237 -9.609 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.054 -7.888 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.627 -8.951 -0.065 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.478 -9.672 2.673 1.00 0.00 N ATOM 1365 CA ARG A 88 -0.800 -10.768 3.353 1.00 0.00 C ATOM 1366 C ARG A 88 -1.029 -10.694 4.860 1.00 0.00 C ATOM 1367 O ARG A 88 -1.359 -11.694 5.498 1.00 0.00 O ATOM 1368 CB ARG A 88 0.700 -10.737 3.047 1.00 0.00 C ATOM 1369 CG ARG A 88 1.160 -11.869 2.143 1.00 0.00 C ATOM 1370 CD ARG A 88 1.280 -11.416 0.696 1.00 0.00 C ATOM 1371 NE ARG A 88 2.489 -11.934 0.059 1.00 0.00 N ATOM 1372 CZ ARG A 88 2.628 -13.191 -0.356 1.00 0.00 C ATOM 1373 NH1 ARG A 88 1.638 -14.061 -0.203 1.00 0.00 N ATOM 1374 NH2 ARG A 88 3.761 -13.578 -0.925 1.00 0.00 N ATOM 0 H ARG A 88 -0.852 -8.979 2.263 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.216 -11.706 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.947 -9.785 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.255 -10.783 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.124 -12.243 2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.454 -12.697 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.405 -11.749 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.288 -10.327 0.656 1.00 0.00 H new ATOM 0 HE ARG A 88 3.272 -11.295 -0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.765 -13.768 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.750 -15.023 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.525 -12.913 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.869 -14.541 -1.243 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.854 -9.503 5.422 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.043 -9.297 6.853 1.00 0.00 C ATOM 1390 C GLU A 89 -2.495 -9.547 7.248 1.00 0.00 C ATOM 1391 O GLU A 89 -2.774 -10.267 8.206 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.630 -7.876 7.245 1.00 0.00 C ATOM 1393 CG GLU A 89 0.710 -7.808 7.959 1.00 0.00 C ATOM 1394 CD GLU A 89 1.884 -7.956 7.011 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.788 -8.772 6.071 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.899 -7.256 7.209 1.00 0.00 O ATOM 0 H GLU A 89 -0.581 -8.665 4.908 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.412 -10.009 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.586 -7.259 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.398 -7.448 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.790 -6.856 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.756 -8.593 8.713 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.416 -8.947 6.501 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.840 -9.103 6.771 1.00 0.00 C ATOM 1405 C ALA A 90 -5.256 -10.567 6.680 1.00 0.00 C ATOM 1406 O ALA A 90 -6.104 -11.031 7.443 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.655 -8.258 5.804 1.00 0.00 C ATOM 0 H ALA A 90 -3.201 -8.348 5.704 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.034 -8.760 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.717 -8.384 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.384 -7.209 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.450 -8.575 4.782 1.00 0.00 H new ATOM 1413 N SER A 91 -4.654 -11.291 5.742 1.00 0.00 N ATOM 1414 CA SER A 91 -4.961 -12.703 5.551 1.00 0.00 C ATOM 1415 C SER A 91 -4.362 -13.545 6.674 1.00 0.00 C ATOM 1416 O SER A 91 -4.923 -14.569 7.062 1.00 0.00 O ATOM 1417 CB SER A 91 -4.431 -13.185 4.199 1.00 0.00 C ATOM 1418 OG SER A 91 -4.954 -14.460 3.871 1.00 0.00 O ATOM 0 H SER A 91 -3.950 -10.922 5.102 1.00 0.00 H new ATOM 0 HA SER A 91 -6.045 -12.819 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.699 -12.468 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.342 -13.231 4.227 1.00 0.00 H new ATOM 0 HG SER A 91 -4.601 -14.745 3.002 1.00 0.00 H new ATOM 1424 N ALA A 92 -3.219 -13.105 7.191 1.00 0.00 N ATOM 1425 CA ALA A 92 -2.544 -13.817 8.269 1.00 0.00 C ATOM 1426 C ALA A 92 -3.347 -13.745 9.563 1.00 0.00 C ATOM 1427 O ALA A 92 -3.748 -14.771 10.114 1.00 0.00 O ATOM 1428 CB ALA A 92 -1.147 -13.252 8.480 1.00 0.00 C ATOM 0 H ALA A 92 -2.741 -12.259 6.880 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.461 -14.865 7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.654 -13.793 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.568 -13.362 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.217 -12.196 8.740 1.00 0.00 H new ATOM 1434 N TRP A 93 -3.580 -12.528 10.042 1.00 0.00 N ATOM 1435 CA TRP A 93 -4.337 -12.322 11.273 1.00 0.00 C ATOM 1436 C TRP A 93 -5.735 -12.922 11.160 1.00 0.00 C ATOM 1437 O TRP A 93 -6.314 -13.363 12.152 1.00 0.00 O ATOM 1438 CB TRP A 93 -4.435 -10.829 11.594 1.00 0.00 C ATOM 1439 CG TRP A 93 -3.141 -10.096 11.417 1.00 0.00 C ATOM 1440 CD1 TRP A 93 -2.938 -8.953 10.700 1.00 0.00 C ATOM 1441 CD2 TRP A 93 -1.869 -10.459 11.964 1.00 0.00 C ATOM 1442 NE1 TRP A 93 -1.617 -8.582 10.769 1.00 0.00 N ATOM 1443 CE2 TRP A 93 -0.940 -9.491 11.540 1.00 0.00 C ATOM 1444 CE3 TRP A 93 -1.426 -11.509 12.773 1.00 0.00 C ATOM 1445 CZ2 TRP A 93 0.404 -9.542 11.898 1.00 0.00 C ATOM 1446 CZ3 TRP A 93 -0.091 -11.559 13.127 1.00 0.00 C ATOM 1447 CH2 TRP A 93 0.810 -10.581 12.690 1.00 0.00 C ATOM 0 H TRP A 93 -3.256 -11.669 9.597 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.809 -12.827 12.082 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.191 -10.376 10.953 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.775 -10.708 12.623 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.704 -8.418 10.158 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.207 -7.763 10.320 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.114 -12.268 13.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.101 -8.789 11.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 0.263 -12.366 13.751 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.847 -10.648 12.984 1.00 0.00 H new ATOM 1458 N SER A 94 -6.270 -12.935 9.944 1.00 0.00 N ATOM 1459 CA SER A 94 -7.600 -13.482 9.700 1.00 0.00 C ATOM 1460 C SER A 94 -7.511 -14.899 9.143 1.00 0.00 C ATOM 1461 O SER A 94 -6.424 -15.466 9.033 1.00 0.00 O ATOM 1462 CB SER A 94 -8.372 -12.587 8.728 1.00 0.00 C ATOM 1463 OG SER A 94 -9.724 -12.999 8.620 1.00 0.00 O ATOM 0 H SER A 94 -5.804 -12.573 9.112 1.00 0.00 H new ATOM 0 HA SER A 94 -8.132 -13.517 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.330 -11.553 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.899 -12.618 7.746 1.00 0.00 H new ATOM 0 HG SER A 94 -10.196 -12.411 7.995 1.00 0.00 H new ATOM 1469 N LEU A 95 -8.661 -15.465 8.794 1.00 0.00 N ATOM 1470 CA LEU A 95 -8.712 -16.816 8.248 1.00 0.00 C ATOM 1471 C LEU A 95 -9.516 -16.850 6.953 1.00 0.00 C ATOM 1472 O LEU A 95 -10.179 -17.842 6.648 1.00 0.00 O ATOM 1473 CB LEU A 95 -9.327 -17.778 9.267 1.00 0.00 C ATOM 1474 CG LEU A 95 -9.160 -19.264 8.938 1.00 0.00 C ATOM 1475 CD1 LEU A 95 -8.072 -19.885 9.800 1.00 0.00 C ATOM 1476 CD2 LEU A 95 -10.477 -20.005 9.124 1.00 0.00 C ATOM 0 H LEU A 95 -9.570 -15.010 8.879 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.691 -17.131 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.880 -17.585 10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.391 -17.558 9.355 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.861 -19.351 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.969 -20.941 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.127 -19.375 9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.340 -19.785 10.852 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.338 -21.059 8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.806 -19.907 10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.231 -19.579 8.461 1.00 0.00 H new ATOM 1488 N ARG A 96 -9.455 -15.761 6.193 1.00 0.00 N ATOM 1489 CA ARG A 96 -10.179 -15.668 4.931 1.00 0.00 C ATOM 1490 C ARG A 96 -9.888 -14.343 4.230 1.00 0.00 C ATOM 1491 O ARG A 96 -10.802 -13.665 3.762 1.00 0.00 O ATOM 1492 CB ARG A 96 -11.684 -15.815 5.173 1.00 0.00 C ATOM 1493 CG ARG A 96 -12.374 -16.732 4.177 1.00 0.00 C ATOM 1494 CD ARG A 96 -13.857 -16.418 4.067 1.00 0.00 C ATOM 1495 NE ARG A 96 -14.600 -17.500 3.425 1.00 0.00 N ATOM 1496 CZ ARG A 96 -14.972 -18.616 4.049 1.00 0.00 C ATOM 1497 NH1 ARG A 96 -14.673 -18.801 5.329 1.00 0.00 N ATOM 1498 NH2 ARG A 96 -15.646 -19.549 3.391 1.00 0.00 N ATOM 0 H ARG A 96 -8.912 -14.931 6.430 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.841 -16.478 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.846 -16.199 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.148 -14.830 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.905 -16.627 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.242 -17.770 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.264 -16.239 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.991 -15.498 3.498 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.848 -17.394 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.155 -18.086 5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.961 -19.658 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.879 -19.412 2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.931 -20.404 3.868 1.00 0.00 H new ATOM 1512 N GLU A 97 -8.607 -13.985 4.163 1.00 0.00 N ATOM 1513 CA GLU A 97 -8.175 -12.741 3.521 1.00 0.00 C ATOM 1514 C GLU A 97 -9.092 -11.574 3.881 1.00 0.00 C ATOM 1515 O GLU A 97 -10.117 -11.353 3.236 1.00 0.00 O ATOM 1516 CB GLU A 97 -8.117 -12.913 1.999 1.00 0.00 C ATOM 1517 CG GLU A 97 -9.372 -13.525 1.399 1.00 0.00 C ATOM 1518 CD GLU A 97 -9.376 -13.473 -0.117 1.00 0.00 C ATOM 1519 OE1 GLU A 97 -8.923 -12.452 -0.676 1.00 0.00 O ATOM 1520 OE2 GLU A 97 -9.832 -14.452 -0.744 1.00 0.00 O ATOM 0 H GLU A 97 -7.844 -14.542 4.548 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.176 -12.511 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.944 -11.940 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.262 -13.541 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.458 -14.562 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.247 -12.998 1.780 1.00 0.00 H new ATOM 1527 N TRP A 98 -8.714 -10.827 4.913 1.00 0.00 N ATOM 1528 CA TRP A 98 -9.502 -9.682 5.357 1.00 0.00 C ATOM 1529 C TRP A 98 -9.680 -8.671 4.228 1.00 0.00 C ATOM 1530 O TRP A 98 -8.855 -8.682 3.290 1.00 0.00 O ATOM 1531 CB TRP A 98 -8.834 -9.011 6.559 1.00 0.00 C ATOM 1532 CG TRP A 98 -9.778 -8.743 7.692 1.00 0.00 C ATOM 1533 CD1 TRP A 98 -11.136 -8.623 7.618 1.00 0.00 C ATOM 1534 CD2 TRP A 98 -9.433 -8.558 9.069 1.00 0.00 C ATOM 1535 NE1 TRP A 98 -11.656 -8.377 8.865 1.00 0.00 N ATOM 1536 CE2 TRP A 98 -10.631 -8.333 9.773 1.00 0.00 C ATOM 1537 CE3 TRP A 98 -8.227 -8.562 9.776 1.00 0.00 C ATOM 1538 CZ2 TRP A 98 -10.657 -8.114 11.148 1.00 0.00 C ATOM 1539 CZ3 TRP A 98 -8.254 -8.345 11.141 1.00 0.00 C ATOM 1540 CH2 TRP A 98 -9.462 -8.124 11.815 1.00 0.00 C ATOM 1541 OXT TRP A 98 -10.644 -7.879 4.290 1.00 0.00 O ATOM 0 H TRP A 98 -7.868 -10.993 5.457 1.00 0.00 H new ATOM 0 HA TRP A 98 -10.487 -10.044 5.653 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -8.022 -9.645 6.915 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -8.387 -8.070 6.238 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -11.716 -8.709 6.711 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -12.645 -8.248 9.080 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.291 -8.732 9.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.587 -7.942 11.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.328 -8.346 11.697 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.450 -7.958 12.882 1.00 0.00 H new TER 1552 TRP A 98