USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 654 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.0305 X(o=-0.031,f=-0.4) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 165:sc= -0.36 (180deg=-0.917) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -175:sc= -1.5! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.0987 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.95) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 104:sc= 0.0724 USER MOD Single : A 81 MET CE :methyl -130:sc= -7.82! (180deg=-9.8!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 86 MET CE :methyl 164:sc= -11.2! (180deg=-13.1!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.243 0.409 -14.877 1.00 0.00 N ATOM 2 CA ALA A 1 -20.345 1.044 -15.864 1.00 0.00 C ATOM 3 C ALA A 1 -19.800 2.382 -15.295 1.00 0.00 C ATOM 4 O ALA A 1 -20.309 3.462 -15.619 1.00 0.00 O ATOM 5 CB ALA A 1 -21.090 1.249 -17.196 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.605 -0.486 -15.263 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.717 0.220 -14.000 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.040 1.045 -14.673 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.492 0.393 -16.059 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.422 1.718 -17.918 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.421 0.284 -17.580 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.956 1.891 -17.034 1.00 0.00 H new ATOM 13 N SER A 2 -18.742 2.290 -14.467 1.00 0.00 N ATOM 14 CA SER A 2 -18.078 3.476 -13.864 1.00 0.00 C ATOM 15 C SER A 2 -16.626 3.112 -13.451 1.00 0.00 C ATOM 16 O SER A 2 -16.407 2.420 -12.450 1.00 0.00 O ATOM 17 CB SER A 2 -18.918 3.985 -12.670 1.00 0.00 C ATOM 18 OG SER A 2 -18.952 5.408 -12.626 1.00 0.00 O ATOM 0 H SER A 2 -18.321 1.402 -14.195 1.00 0.00 H new ATOM 0 HA SER A 2 -18.015 4.285 -14.592 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.934 3.598 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.500 3.601 -11.739 1.00 0.00 H new ATOM 0 HG SER A 2 -19.492 5.699 -11.862 1.00 0.00 H new ATOM 24 N MET A 3 -15.644 3.609 -14.227 1.00 0.00 N ATOM 25 CA MET A 3 -14.200 3.367 -13.966 1.00 0.00 C ATOM 26 C MET A 3 -13.461 4.729 -13.867 1.00 0.00 C ATOM 27 O MET A 3 -12.304 4.852 -14.285 1.00 0.00 O ATOM 28 CB MET A 3 -13.611 2.454 -15.077 1.00 0.00 C ATOM 29 CG MET A 3 -14.144 2.707 -16.501 1.00 0.00 C ATOM 30 SD MET A 3 -15.424 1.507 -16.936 1.00 0.00 S ATOM 31 CE MET A 3 -16.057 2.191 -18.481 1.00 0.00 C ATOM 0 H MET A 3 -15.821 4.187 -15.049 1.00 0.00 H new ATOM 0 HA MET A 3 -14.067 2.848 -13.017 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.528 2.577 -15.087 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.811 1.416 -14.813 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.549 3.717 -16.567 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.324 2.645 -17.216 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.853 1.552 -18.863 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.450 3.192 -18.302 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.251 2.243 -19.213 1.00 0.00 H new ATOM 41 N THR A 4 -14.151 5.743 -13.312 1.00 0.00 N ATOM 42 CA THR A 4 -13.575 7.095 -13.086 1.00 0.00 C ATOM 43 C THR A 4 -13.441 7.376 -11.564 1.00 0.00 C ATOM 44 O THR A 4 -12.467 7.998 -11.121 1.00 0.00 O ATOM 45 CB THR A 4 -14.366 8.181 -13.879 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.178 7.546 -14.863 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.554 9.289 -14.579 1.00 0.00 C ATOM 0 H THR A 4 -15.120 5.655 -13.006 1.00 0.00 H new ATOM 0 HA THR A 4 -12.562 7.136 -13.486 1.00 0.00 H new ATOM 0 HB THR A 4 -14.932 8.697 -13.103 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.678 8.225 -15.362 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.234 9.971 -15.089 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.976 9.840 -13.837 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.877 8.840 -15.306 1.00 0.00 H new ATOM 55 N ASP A 5 -14.433 6.918 -10.779 1.00 0.00 N ATOM 56 CA ASP A 5 -14.406 7.017 -9.295 1.00 0.00 C ATOM 57 C ASP A 5 -13.013 6.554 -8.788 1.00 0.00 C ATOM 58 O ASP A 5 -12.508 7.064 -7.780 1.00 0.00 O ATOM 59 CB ASP A 5 -15.575 6.220 -8.647 1.00 0.00 C ATOM 60 CG ASP A 5 -15.381 4.697 -8.544 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.820 4.095 -9.486 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.785 4.102 -7.521 1.00 0.00 O ATOM 0 H ASP A 5 -15.273 6.471 -11.145 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.557 8.054 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.744 6.613 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.481 6.412 -9.221 1.00 0.00 H new ATOM 67 N GLN A 6 -12.424 5.564 -9.484 1.00 0.00 N ATOM 68 CA GLN A 6 -11.143 4.931 -9.072 1.00 0.00 C ATOM 69 C GLN A 6 -10.057 6.038 -8.991 1.00 0.00 C ATOM 70 O GLN A 6 -9.401 6.203 -7.955 1.00 0.00 O ATOM 71 CB GLN A 6 -10.759 3.790 -10.057 1.00 0.00 C ATOM 72 CG GLN A 6 -9.734 2.754 -9.533 1.00 0.00 C ATOM 73 CD GLN A 6 -9.980 1.313 -10.013 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.891 0.630 -9.544 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.180 0.818 -10.945 1.00 0.00 N ATOM 0 H GLN A 6 -12.814 5.177 -10.343 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.240 4.468 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.669 3.260 -10.340 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.358 4.241 -10.965 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.735 3.061 -9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.748 2.768 -8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.428 1.391 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.316 -0.136 -11.280 1.00 0.00 H new ATOM 84 N GLN A 7 -9.884 6.788 -10.097 1.00 0.00 N ATOM 85 CA GLN A 7 -8.817 7.815 -10.222 1.00 0.00 C ATOM 86 C GLN A 7 -9.376 9.200 -9.799 1.00 0.00 C ATOM 87 O GLN A 7 -8.824 10.239 -10.195 1.00 0.00 O ATOM 88 CB GLN A 7 -8.280 7.894 -11.682 1.00 0.00 C ATOM 89 CG GLN A 7 -9.287 8.387 -12.746 1.00 0.00 C ATOM 90 CD GLN A 7 -8.992 7.824 -14.147 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.062 8.259 -14.826 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.770 6.858 -14.611 1.00 0.00 N ATOM 0 H GLN A 7 -10.472 6.704 -10.926 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.992 7.532 -9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.414 8.556 -11.695 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.929 6.904 -11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.295 8.099 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.265 9.476 -12.784 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.538 6.504 -14.041 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.601 6.468 -15.538 1.00 0.00 H new ATOM 101 N ALA A 8 -10.461 9.218 -9.004 1.00 0.00 N ATOM 102 CA ALA A 8 -11.099 10.471 -8.522 1.00 0.00 C ATOM 103 C ALA A 8 -10.423 10.930 -7.199 1.00 0.00 C ATOM 104 O ALA A 8 -10.311 12.130 -6.928 1.00 0.00 O ATOM 105 CB ALA A 8 -12.610 10.232 -8.336 1.00 0.00 C ATOM 0 H ALA A 8 -10.924 8.371 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.967 11.267 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.083 11.148 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.052 9.940 -9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.766 9.438 -7.605 1.00 0.00 H new ATOM 111 N GLU A 9 -10.004 9.950 -6.377 1.00 0.00 N ATOM 112 CA GLU A 9 -9.427 10.201 -5.029 1.00 0.00 C ATOM 113 C GLU A 9 -7.927 10.578 -5.170 1.00 0.00 C ATOM 114 O GLU A 9 -7.451 11.518 -4.520 1.00 0.00 O ATOM 115 CB GLU A 9 -9.625 8.979 -4.083 1.00 0.00 C ATOM 116 CG GLU A 9 -9.918 7.623 -4.767 1.00 0.00 C ATOM 117 CD GLU A 9 -9.833 6.434 -3.807 1.00 0.00 C ATOM 118 OE1 GLU A 9 -9.047 6.494 -2.836 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.548 5.430 -4.021 1.00 0.00 O ATOM 0 H GLU A 9 -10.053 8.961 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.957 11.036 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.727 8.868 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.446 9.203 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.914 7.654 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.211 7.474 -5.583 1.00 0.00 H new ATOM 126 N ALA A 10 -7.188 9.816 -5.998 1.00 0.00 N ATOM 127 CA ALA A 10 -5.718 9.980 -6.153 1.00 0.00 C ATOM 128 C ALA A 10 -5.404 11.325 -6.865 1.00 0.00 C ATOM 129 O ALA A 10 -4.420 11.997 -6.536 1.00 0.00 O ATOM 130 CB ALA A 10 -5.156 8.773 -6.930 1.00 0.00 C ATOM 0 H ALA A 10 -7.582 9.074 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.237 10.012 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.078 8.886 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.367 7.856 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.625 8.722 -7.913 1.00 0.00 H new ATOM 136 N ARG A 11 -6.256 11.695 -7.839 1.00 0.00 N ATOM 137 CA ARG A 11 -6.049 12.892 -8.696 1.00 0.00 C ATOM 138 C ARG A 11 -6.447 14.148 -7.874 1.00 0.00 C ATOM 139 O ARG A 11 -5.819 15.206 -7.993 1.00 0.00 O ATOM 140 CB ARG A 11 -6.883 12.782 -10.004 1.00 0.00 C ATOM 141 CG ARG A 11 -6.082 12.357 -11.257 1.00 0.00 C ATOM 142 CD ARG A 11 -5.294 13.524 -11.883 1.00 0.00 C ATOM 143 NE ARG A 11 -4.719 13.157 -13.201 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.108 11.985 -13.471 1.00 0.00 C ATOM 145 NH1 ARG A 11 -3.454 11.321 -12.528 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.114 11.477 -14.696 1.00 0.00 N ATOM 0 H ARG A 11 -7.107 11.178 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.003 12.967 -8.993 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.687 12.064 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.351 13.746 -10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.389 11.560 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.767 11.947 -11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.952 14.385 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.493 13.825 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.791 13.839 -13.956 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.407 11.695 -11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.998 10.436 -12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.586 11.974 -15.452 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.647 10.590 -14.882 1.00 0.00 H new ATOM 160 N ALA A 12 -7.516 14.016 -7.066 1.00 0.00 N ATOM 161 CA ALA A 12 -8.044 15.128 -6.230 1.00 0.00 C ATOM 162 C ALA A 12 -7.056 15.442 -5.073 1.00 0.00 C ATOM 163 O ALA A 12 -6.967 16.588 -4.613 1.00 0.00 O ATOM 164 CB ALA A 12 -9.442 14.747 -5.703 1.00 0.00 C ATOM 0 H ALA A 12 -8.039 13.146 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.140 16.033 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.833 15.559 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.113 14.572 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.370 13.841 -5.102 1.00 0.00 H new ATOM 170 N PHE A 13 -6.343 14.406 -4.593 1.00 0.00 N ATOM 171 CA PHE A 13 -5.384 14.534 -3.464 1.00 0.00 C ATOM 172 C PHE A 13 -4.148 15.356 -3.923 1.00 0.00 C ATOM 173 O PHE A 13 -3.728 16.299 -3.242 1.00 0.00 O ATOM 174 CB PHE A 13 -5.018 13.113 -2.946 1.00 0.00 C ATOM 175 CG PHE A 13 -4.251 13.080 -1.609 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.362 14.109 -1.276 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.425 12.011 -0.721 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.654 14.065 -0.077 1.00 0.00 C ATOM 179 CE2 PHE A 13 -3.718 11.971 0.478 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.832 12.997 0.799 1.00 0.00 C ATOM 0 H PHE A 13 -6.410 13.460 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.829 15.077 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.936 12.537 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.417 12.611 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.224 14.940 -1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.111 11.214 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.967 14.860 0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.857 11.144 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.283 12.964 1.728 1.00 0.00 H new ATOM 190 N LEU A 14 -3.564 14.959 -5.069 1.00 0.00 N ATOM 191 CA LEU A 14 -2.321 15.573 -5.607 1.00 0.00 C ATOM 192 C LEU A 14 -2.570 15.930 -7.098 1.00 0.00 C ATOM 193 O LEU A 14 -3.124 15.125 -7.856 1.00 0.00 O ATOM 194 CB LEU A 14 -1.105 14.613 -5.435 1.00 0.00 C ATOM 195 CG LEU A 14 -1.403 13.087 -5.356 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.675 12.498 -6.755 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.270 12.299 -4.667 1.00 0.00 C ATOM 0 H LEU A 14 -3.933 14.207 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.076 16.479 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.423 14.780 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.575 14.900 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.299 12.982 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.880 11.431 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.536 12.997 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.802 12.649 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.528 11.240 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.657 12.431 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.137 12.668 -3.650 1.00 0.00 H new ATOM 209 N SER A 15 -2.123 17.132 -7.506 1.00 0.00 N ATOM 210 CA SER A 15 -2.329 17.652 -8.884 1.00 0.00 C ATOM 211 C SER A 15 -1.384 16.914 -9.871 1.00 0.00 C ATOM 212 O SER A 15 -0.791 15.884 -9.528 1.00 0.00 O ATOM 213 CB SER A 15 -2.112 19.182 -8.895 1.00 0.00 C ATOM 214 OG SER A 15 -3.350 19.883 -8.947 1.00 0.00 O ATOM 0 H SER A 15 -1.611 17.772 -6.899 1.00 0.00 H new ATOM 0 HA SER A 15 -3.351 17.462 -9.211 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.561 19.479 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.500 19.458 -9.754 1.00 0.00 H new ATOM 0 HG SER A 15 -3.180 20.848 -8.951 1.00 0.00 H new ATOM 220 N GLU A 16 -1.262 17.454 -11.097 1.00 0.00 N ATOM 221 CA GLU A 16 -0.404 16.870 -12.163 1.00 0.00 C ATOM 222 C GLU A 16 1.084 17.005 -11.734 1.00 0.00 C ATOM 223 O GLU A 16 1.908 16.143 -12.064 1.00 0.00 O ATOM 224 CB GLU A 16 -0.720 17.534 -13.533 1.00 0.00 C ATOM 225 CG GLU A 16 0.134 17.071 -14.738 1.00 0.00 C ATOM 226 CD GLU A 16 -0.472 17.407 -16.104 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.325 16.635 -16.594 1.00 0.00 O ATOM 228 OE2 GLU A 16 -0.095 18.443 -16.695 1.00 0.00 O ATOM 0 H GLU A 16 -1.749 18.303 -11.383 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.612 15.808 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.769 17.350 -13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.602 18.612 -13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.120 17.530 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.279 15.993 -14.673 1.00 0.00 H new ATOM 235 N GLU A 17 1.405 18.111 -11.027 1.00 0.00 N ATOM 236 CA GLU A 17 2.809 18.429 -10.642 1.00 0.00 C ATOM 237 C GLU A 17 3.323 17.291 -9.716 1.00 0.00 C ATOM 238 O GLU A 17 4.456 16.819 -9.867 1.00 0.00 O ATOM 239 CB GLU A 17 2.921 19.843 -10.000 1.00 0.00 C ATOM 240 CG GLU A 17 4.163 20.103 -9.114 1.00 0.00 C ATOM 241 CD GLU A 17 4.125 21.435 -8.357 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.426 21.524 -7.324 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.791 22.399 -8.795 1.00 0.00 O ATOM 0 H GLU A 17 0.720 18.798 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 17 3.445 18.473 -11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.912 20.583 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.030 20.015 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.258 19.291 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.054 20.079 -9.741 1.00 0.00 H new ATOM 250 N MET A 18 2.484 16.886 -8.744 1.00 0.00 N ATOM 251 CA MET A 18 2.861 15.887 -7.709 1.00 0.00 C ATOM 252 C MET A 18 2.905 14.491 -8.388 1.00 0.00 C ATOM 253 O MET A 18 3.744 13.649 -8.043 1.00 0.00 O ATOM 254 CB MET A 18 1.884 15.924 -6.500 1.00 0.00 C ATOM 255 CG MET A 18 2.264 16.885 -5.358 1.00 0.00 C ATOM 256 SD MET A 18 3.099 15.978 -4.037 1.00 0.00 S ATOM 257 CE MET A 18 4.693 15.621 -4.806 1.00 0.00 C ATOM 0 H MET A 18 1.530 17.235 -8.648 1.00 0.00 H new ATOM 0 HA MET A 18 3.844 16.121 -7.300 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.894 16.198 -6.866 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.805 14.917 -6.090 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.915 17.673 -5.737 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.370 17.370 -4.968 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.404 15.309 -4.041 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.573 14.822 -5.538 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.065 16.516 -5.304 1.00 0.00 H new ATOM 267 N ILE A 19 1.974 14.253 -9.330 1.00 0.00 N ATOM 268 CA ILE A 19 1.809 12.938 -10.004 1.00 0.00 C ATOM 269 C ILE A 19 3.140 12.656 -10.753 1.00 0.00 C ATOM 270 O ILE A 19 3.543 11.493 -10.898 1.00 0.00 O ATOM 271 CB ILE A 19 0.519 12.896 -10.907 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.694 12.219 -10.194 1.00 0.00 C ATOM 273 CG2 ILE A 19 0.774 12.218 -12.281 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.889 13.136 -9.886 1.00 0.00 C ATOM 0 H ILE A 19 1.313 14.961 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 19 1.632 12.135 -9.289 1.00 0.00 H new ATOM 0 HB ILE A 19 0.264 13.940 -11.087 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.044 11.396 -10.817 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.344 11.784 -9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.148 12.216 -12.863 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.543 12.770 -12.822 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.106 11.192 -12.124 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.671 12.560 -9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.567 13.947 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.277 13.552 -10.816 1.00 0.00 H new ATOM 286 N ALA A 20 3.797 13.719 -11.253 1.00 0.00 N ATOM 287 CA ALA A 20 5.054 13.604 -12.042 1.00 0.00 C ATOM 288 C ALA A 20 6.118 12.801 -11.245 1.00 0.00 C ATOM 289 O ALA A 20 6.900 12.040 -11.829 1.00 0.00 O ATOM 290 CB ALA A 20 5.551 15.018 -12.401 1.00 0.00 C ATOM 0 H ALA A 20 3.480 14.680 -11.127 1.00 0.00 H new ATOM 0 HA ALA A 20 4.868 13.059 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.472 14.944 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.792 15.531 -12.991 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.741 15.580 -11.487 1.00 0.00 H new ATOM 296 N GLU A 21 6.154 13.008 -9.916 1.00 0.00 N ATOM 297 CA GLU A 21 7.165 12.382 -9.024 1.00 0.00 C ATOM 298 C GLU A 21 7.039 10.839 -9.150 1.00 0.00 C ATOM 299 O GLU A 21 8.040 10.114 -9.115 1.00 0.00 O ATOM 300 CB GLU A 21 6.998 12.905 -7.568 1.00 0.00 C ATOM 301 CG GLU A 21 7.873 14.115 -7.164 1.00 0.00 C ATOM 302 CD GLU A 21 7.476 15.430 -7.842 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.551 16.111 -7.348 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.087 15.787 -8.874 1.00 0.00 O ATOM 0 H GLU A 21 5.491 13.609 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 21 8.177 12.657 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.953 13.176 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.214 12.084 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.817 14.245 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.913 13.894 -7.405 1.00 0.00 H new ATOM 311 N PHE A 22 5.789 10.353 -9.266 1.00 0.00 N ATOM 312 CA PHE A 22 5.484 8.906 -9.422 1.00 0.00 C ATOM 313 C PHE A 22 5.843 8.469 -10.869 1.00 0.00 C ATOM 314 O PHE A 22 6.205 7.309 -11.104 1.00 0.00 O ATOM 315 CB PHE A 22 3.990 8.625 -9.075 1.00 0.00 C ATOM 316 CG PHE A 22 3.491 9.262 -7.761 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.246 10.638 -7.688 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.303 8.473 -6.620 1.00 0.00 C ATOM 319 CE1 PHE A 22 2.875 11.223 -6.479 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.927 9.059 -5.414 1.00 0.00 C ATOM 321 CZ PHE A 22 2.742 10.437 -5.338 1.00 0.00 C ATOM 0 H PHE A 22 4.959 10.946 -9.255 1.00 0.00 H new ATOM 0 HA PHE A 22 6.084 8.318 -8.728 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.369 8.987 -9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.844 7.546 -9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.345 11.249 -8.573 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.450 7.405 -6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.691 12.286 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.779 8.445 -4.538 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.495 10.897 -4.392 1.00 0.00 H new ATOM 331 N LYS A 23 5.709 9.400 -11.832 1.00 0.00 N ATOM 332 CA LYS A 23 5.904 9.121 -13.280 1.00 0.00 C ATOM 333 C LYS A 23 7.305 8.478 -13.462 1.00 0.00 C ATOM 334 O LYS A 23 7.459 7.498 -14.202 1.00 0.00 O ATOM 335 CB LYS A 23 5.770 10.419 -14.131 1.00 0.00 C ATOM 336 CG LYS A 23 5.193 10.272 -15.560 1.00 0.00 C ATOM 337 CD LYS A 23 6.249 10.077 -16.669 1.00 0.00 C ATOM 338 CE LYS A 23 5.803 10.659 -18.022 1.00 0.00 C ATOM 339 NZ LYS A 23 5.230 9.619 -18.895 1.00 0.00 N ATOM 0 H LYS A 23 5.462 10.370 -11.635 1.00 0.00 H new ATOM 0 HA LYS A 23 5.131 8.437 -13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.140 11.119 -13.583 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.757 10.874 -14.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.510 9.423 -15.575 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.603 11.159 -15.791 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.182 10.551 -16.364 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.455 9.013 -16.786 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.065 11.444 -17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.655 11.123 -18.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.940 10.045 -19.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.943 8.883 -19.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.402 9.194 -18.431 1.00 0.00 H new ATOM 353 N ALA A 24 8.322 9.062 -12.803 1.00 0.00 N ATOM 354 CA ALA A 24 9.739 8.637 -12.957 1.00 0.00 C ATOM 355 C ALA A 24 9.870 7.116 -12.670 1.00 0.00 C ATOM 356 O ALA A 24 10.408 6.358 -13.486 1.00 0.00 O ATOM 357 CB ALA A 24 10.623 9.478 -12.015 1.00 0.00 C ATOM 0 H ALA A 24 8.194 9.837 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 24 10.075 8.805 -13.980 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.664 9.172 -12.123 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.527 10.533 -12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.304 9.325 -10.984 1.00 0.00 H new ATOM 363 N ALA A 25 9.389 6.691 -11.487 1.00 0.00 N ATOM 364 CA ALA A 25 9.493 5.282 -11.025 1.00 0.00 C ATOM 365 C ALA A 25 8.607 4.348 -11.896 1.00 0.00 C ATOM 366 O ALA A 25 8.846 3.132 -11.934 1.00 0.00 O ATOM 367 CB ALA A 25 9.098 5.214 -9.535 1.00 0.00 C ATOM 0 H ALA A 25 8.919 7.306 -10.823 1.00 0.00 H new ATOM 0 HA ALA A 25 10.520 4.935 -11.133 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.171 4.184 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.770 5.843 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.074 5.567 -9.414 1.00 0.00 H new ATOM 373 N PHE A 26 7.580 4.916 -12.556 1.00 0.00 N ATOM 374 CA PHE A 26 6.594 4.127 -13.346 1.00 0.00 C ATOM 375 C PHE A 26 7.350 3.445 -14.519 1.00 0.00 C ATOM 376 O PHE A 26 7.001 2.331 -14.931 1.00 0.00 O ATOM 377 CB PHE A 26 5.417 5.017 -13.847 1.00 0.00 C ATOM 378 CG PHE A 26 4.578 4.404 -14.992 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.130 4.249 -16.269 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.251 4.021 -14.768 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.355 3.749 -17.313 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.478 3.523 -15.814 1.00 0.00 C ATOM 383 CZ PHE A 26 3.034 3.375 -17.082 1.00 0.00 C ATOM 0 H PHE A 26 7.405 5.921 -12.562 1.00 0.00 H new ATOM 0 HA PHE A 26 6.140 3.363 -12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.757 5.228 -13.006 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.821 5.972 -14.183 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.161 4.518 -16.446 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.824 4.112 -13.780 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.779 3.651 -18.302 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.447 3.252 -15.642 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.440 2.970 -17.887 1.00 0.00 H new ATOM 393 N ASP A 27 8.364 4.140 -15.067 1.00 0.00 N ATOM 394 CA ASP A 27 9.164 3.639 -16.216 1.00 0.00 C ATOM 395 C ASP A 27 10.110 2.514 -15.713 1.00 0.00 C ATOM 396 O ASP A 27 10.352 1.531 -16.424 1.00 0.00 O ATOM 397 CB ASP A 27 9.929 4.790 -16.930 1.00 0.00 C ATOM 398 CG ASP A 27 10.636 4.419 -18.245 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.800 3.965 -18.200 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.024 4.576 -19.325 1.00 0.00 O ATOM 0 H ASP A 27 8.656 5.059 -14.734 1.00 0.00 H new ATOM 0 HA ASP A 27 8.498 3.221 -16.971 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.224 5.595 -17.135 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.674 5.187 -16.240 1.00 0.00 H new ATOM 405 N MET A 28 10.613 2.663 -14.471 1.00 0.00 N ATOM 406 CA MET A 28 11.513 1.661 -13.836 1.00 0.00 C ATOM 407 C MET A 28 10.726 0.329 -13.700 1.00 0.00 C ATOM 408 O MET A 28 11.295 -0.759 -13.848 1.00 0.00 O ATOM 409 CB MET A 28 12.062 2.160 -12.468 1.00 0.00 C ATOM 410 CG MET A 28 13.390 1.530 -12.006 1.00 0.00 C ATOM 411 SD MET A 28 13.601 1.765 -10.227 1.00 0.00 S ATOM 412 CE MET A 28 12.640 0.383 -9.574 1.00 0.00 C ATOM 0 H MET A 28 10.414 3.470 -13.880 1.00 0.00 H new ATOM 0 HA MET A 28 12.392 1.504 -14.462 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.195 3.240 -12.524 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.307 1.971 -11.705 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.399 0.466 -12.244 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.223 1.984 -12.542 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.677 0.397 -8.485 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.605 0.472 -9.903 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.057 -0.555 -9.940 1.00 0.00 H new ATOM 422 N PHE A 29 9.414 0.434 -13.413 1.00 0.00 N ATOM 423 CA PHE A 29 8.526 -0.744 -13.220 1.00 0.00 C ATOM 424 C PHE A 29 8.305 -1.423 -14.599 1.00 0.00 C ATOM 425 O PHE A 29 8.192 -2.651 -14.688 1.00 0.00 O ATOM 426 CB PHE A 29 7.183 -0.318 -12.555 1.00 0.00 C ATOM 427 CG PHE A 29 6.425 -1.435 -11.809 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.068 -2.633 -11.475 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.084 -1.254 -11.446 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.395 -3.613 -10.750 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.414 -2.237 -10.721 1.00 0.00 C ATOM 432 CZ PHE A 29 5.075 -3.407 -10.359 1.00 0.00 C ATOM 0 H PHE A 29 8.936 1.329 -13.308 1.00 0.00 H new ATOM 0 HA PHE A 29 8.992 -1.462 -12.545 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.386 0.490 -11.852 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.529 0.088 -13.327 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.091 -2.798 -11.781 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.568 -0.349 -11.729 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.897 -4.533 -10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.381 -2.091 -10.440 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.563 -4.156 -9.774 1.00 0.00 H new ATOM 442 N ASP A 30 8.273 -0.604 -15.667 1.00 0.00 N ATOM 443 CA ASP A 30 8.050 -1.088 -17.056 1.00 0.00 C ATOM 444 C ASP A 30 9.309 -1.871 -17.519 1.00 0.00 C ATOM 445 O ASP A 30 10.220 -2.129 -16.723 1.00 0.00 O ATOM 446 CB ASP A 30 7.682 0.078 -18.018 1.00 0.00 C ATOM 447 CG ASP A 30 6.801 -0.291 -19.224 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.181 -1.377 -19.212 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.724 0.508 -20.183 1.00 0.00 O ATOM 0 H ASP A 30 8.399 0.406 -15.600 1.00 0.00 H new ATOM 0 HA ASP A 30 7.194 -1.763 -17.076 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.170 0.849 -17.442 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.606 0.520 -18.391 1.00 0.00 H new ATOM 454 N ALA A 31 9.354 -2.216 -18.819 1.00 0.00 N ATOM 455 CA ALA A 31 10.488 -2.966 -19.423 1.00 0.00 C ATOM 456 C ALA A 31 10.628 -2.593 -20.924 1.00 0.00 C ATOM 457 O ALA A 31 11.733 -2.318 -21.406 1.00 0.00 O ATOM 458 CB ALA A 31 10.257 -4.477 -19.223 1.00 0.00 C ATOM 0 H ALA A 31 8.614 -1.988 -19.483 1.00 0.00 H new ATOM 0 HA ALA A 31 11.424 -2.698 -18.933 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.085 -5.033 -19.663 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.198 -4.698 -18.157 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.325 -4.770 -19.707 1.00 0.00 H new ATOM 464 N ASP A 32 9.486 -2.562 -21.637 1.00 0.00 N ATOM 465 CA ASP A 32 9.433 -2.208 -23.081 1.00 0.00 C ATOM 466 C ASP A 32 9.366 -0.663 -23.212 1.00 0.00 C ATOM 467 O ASP A 32 10.146 -0.056 -23.957 1.00 0.00 O ATOM 468 CB ASP A 32 8.255 -2.923 -23.806 1.00 0.00 C ATOM 469 CG ASP A 32 6.911 -2.175 -23.814 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.106 -2.365 -22.875 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.660 -1.391 -24.756 1.00 0.00 O ATOM 0 H ASP A 32 8.574 -2.780 -21.236 1.00 0.00 H new ATOM 0 HA ASP A 32 10.336 -2.561 -23.578 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.550 -3.109 -24.839 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.104 -3.895 -23.338 1.00 0.00 H new ATOM 476 N GLY A 33 8.429 -0.037 -22.474 1.00 0.00 N ATOM 477 CA GLY A 33 8.249 1.439 -22.480 1.00 0.00 C ATOM 478 C GLY A 33 7.311 1.896 -23.628 1.00 0.00 C ATOM 479 O GLY A 33 7.735 2.586 -24.563 1.00 0.00 O ATOM 0 H GLY A 33 7.779 -0.529 -21.861 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.837 1.760 -21.523 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.219 1.924 -22.587 1.00 0.00 H new ATOM 483 N GLY A 34 6.018 1.526 -23.527 1.00 0.00 N ATOM 484 CA GLY A 34 4.978 1.969 -24.489 1.00 0.00 C ATOM 485 C GLY A 34 4.059 3.032 -23.836 1.00 0.00 C ATOM 486 O GLY A 34 4.082 4.212 -24.204 1.00 0.00 O ATOM 0 H GLY A 34 5.664 0.919 -22.787 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.450 2.384 -25.380 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.384 1.114 -24.812 1.00 0.00 H new ATOM 490 N GLY A 35 3.229 2.587 -22.871 1.00 0.00 N ATOM 491 CA GLY A 35 2.315 3.483 -22.119 1.00 0.00 C ATOM 492 C GLY A 35 1.375 2.650 -21.210 1.00 0.00 C ATOM 493 O GLY A 35 0.176 2.937 -21.108 1.00 0.00 O ATOM 0 H GLY A 35 3.170 1.608 -22.590 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.894 4.180 -21.513 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.725 4.079 -22.815 1.00 0.00 H new ATOM 497 N ASP A 36 1.948 1.635 -20.534 1.00 0.00 N ATOM 498 CA ASP A 36 1.185 0.689 -19.679 1.00 0.00 C ATOM 499 C ASP A 36 2.123 -0.481 -19.271 1.00 0.00 C ATOM 500 O ASP A 36 3.069 -0.811 -19.995 1.00 0.00 O ATOM 501 CB ASP A 36 -0.114 0.197 -20.383 1.00 0.00 C ATOM 502 CG ASP A 36 0.056 -0.345 -21.813 1.00 0.00 C ATOM 503 OD1 ASP A 36 1.145 -0.167 -22.401 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.897 -0.955 -22.346 1.00 0.00 O ATOM 0 H ASP A 36 2.949 1.444 -20.561 1.00 0.00 H new ATOM 0 HA ASP A 36 0.851 1.199 -18.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.561 -0.586 -19.770 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.823 1.024 -20.411 1.00 0.00 H new ATOM 509 N ILE A 37 1.859 -1.079 -18.094 1.00 0.00 N ATOM 510 CA ILE A 37 2.600 -2.265 -17.586 1.00 0.00 C ATOM 511 C ILE A 37 1.838 -3.555 -17.995 1.00 0.00 C ATOM 512 O ILE A 37 0.719 -3.490 -18.522 1.00 0.00 O ATOM 513 CB ILE A 37 2.918 -2.209 -16.045 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.795 -0.798 -15.387 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.285 -2.868 -15.733 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.886 -0.438 -14.367 1.00 0.00 C ATOM 0 H ILE A 37 1.126 -0.758 -17.462 1.00 0.00 H new ATOM 0 HA ILE A 37 3.584 -2.268 -18.054 1.00 0.00 H new ATOM 0 HB ILE A 37 2.125 -2.792 -15.576 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.801 -0.048 -16.178 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.826 -0.732 -14.893 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.478 -2.815 -14.662 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.266 -3.912 -16.047 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.074 -2.342 -16.271 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.701 0.562 -13.975 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.871 -1.158 -13.548 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.861 -0.463 -14.853 1.00 0.00 H new ATOM 528 N SER A 38 2.441 -4.727 -17.719 1.00 0.00 N ATOM 529 CA SER A 38 1.797 -6.049 -17.947 1.00 0.00 C ATOM 530 C SER A 38 2.065 -6.977 -16.730 1.00 0.00 C ATOM 531 O SER A 38 2.566 -6.528 -15.693 1.00 0.00 O ATOM 532 CB SER A 38 2.313 -6.650 -19.274 1.00 0.00 C ATOM 533 OG SER A 38 3.537 -7.353 -19.086 1.00 0.00 O ATOM 0 H SER A 38 3.383 -4.792 -17.334 1.00 0.00 H new ATOM 0 HA SER A 38 0.717 -5.937 -18.037 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.563 -7.326 -19.685 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.458 -5.853 -20.004 1.00 0.00 H new ATOM 0 HG SER A 38 3.878 -7.654 -19.954 1.00 0.00 H new ATOM 539 N THR A 39 1.733 -8.272 -16.888 1.00 0.00 N ATOM 540 CA THR A 39 1.919 -9.301 -15.830 1.00 0.00 C ATOM 541 C THR A 39 3.388 -9.802 -15.873 1.00 0.00 C ATOM 542 O THR A 39 4.040 -9.934 -14.829 1.00 0.00 O ATOM 543 CB THR A 39 0.882 -10.462 -15.951 1.00 0.00 C ATOM 544 OG1 THR A 39 0.321 -10.502 -17.261 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.278 -10.412 -14.938 1.00 0.00 C ATOM 0 H THR A 39 1.328 -8.641 -17.749 1.00 0.00 H new ATOM 0 HA THR A 39 1.731 -8.853 -14.854 1.00 0.00 H new ATOM 0 HB THR A 39 1.460 -11.359 -15.730 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.325 -11.237 -17.318 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.943 -11.260 -15.104 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.122 -10.457 -13.925 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.835 -9.484 -15.068 1.00 0.00 H new ATOM 553 N LYS A 40 3.897 -10.079 -17.088 1.00 0.00 N ATOM 554 CA LYS A 40 5.287 -10.568 -17.292 1.00 0.00 C ATOM 555 C LYS A 40 6.273 -9.509 -16.729 1.00 0.00 C ATOM 556 O LYS A 40 7.303 -9.855 -16.139 1.00 0.00 O ATOM 557 CB LYS A 40 5.502 -10.888 -18.800 1.00 0.00 C ATOM 558 CG LYS A 40 6.952 -11.211 -19.242 1.00 0.00 C ATOM 559 CD LYS A 40 7.383 -10.882 -20.692 1.00 0.00 C ATOM 560 CE LYS A 40 8.895 -10.699 -20.943 1.00 0.00 C ATOM 561 NZ LYS A 40 9.256 -10.624 -22.370 1.00 0.00 N ATOM 0 H LYS A 40 3.367 -9.974 -17.953 1.00 0.00 H new ATOM 0 HA LYS A 40 5.473 -11.496 -16.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.869 -11.736 -19.062 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.150 -10.036 -19.382 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.627 -10.682 -18.569 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.115 -12.277 -19.084 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.025 -11.680 -21.342 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.874 -9.968 -20.999 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.229 -9.789 -20.445 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.433 -11.529 -20.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.285 -10.501 -22.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.968 -11.502 -22.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.770 -9.816 -22.809 1.00 0.00 H new ATOM 575 N GLU A 41 5.952 -8.220 -16.947 1.00 0.00 N ATOM 576 CA GLU A 41 6.835 -7.086 -16.565 1.00 0.00 C ATOM 577 C GLU A 41 6.701 -6.834 -15.039 1.00 0.00 C ATOM 578 O GLU A 41 7.676 -6.476 -14.368 1.00 0.00 O ATOM 579 CB GLU A 41 6.524 -5.820 -17.414 1.00 0.00 C ATOM 580 CG GLU A 41 6.308 -6.007 -18.936 1.00 0.00 C ATOM 581 CD GLU A 41 5.753 -4.771 -19.650 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.525 -4.537 -19.587 1.00 0.00 O ATOM 583 OE2 GLU A 41 6.541 -4.030 -20.278 1.00 0.00 O ATOM 0 H GLU A 41 5.080 -7.929 -17.390 1.00 0.00 H new ATOM 0 HA GLU A 41 7.874 -7.338 -16.778 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.629 -5.353 -17.003 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.343 -5.115 -17.276 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.258 -6.281 -19.395 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.625 -6.841 -19.094 1.00 0.00 H new ATOM 590 N LEU A 42 5.479 -7.028 -14.509 1.00 0.00 N ATOM 591 CA LEU A 42 5.190 -6.891 -13.057 1.00 0.00 C ATOM 592 C LEU A 42 6.261 -7.697 -12.274 1.00 0.00 C ATOM 593 O LEU A 42 7.039 -7.133 -11.496 1.00 0.00 O ATOM 594 CB LEU A 42 3.745 -7.377 -12.729 1.00 0.00 C ATOM 595 CG LEU A 42 3.178 -7.048 -11.318 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.280 -7.110 -10.242 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.474 -5.676 -11.269 1.00 0.00 C ATOM 0 H LEU A 42 4.664 -7.283 -15.066 1.00 0.00 H new ATOM 0 HA LEU A 42 5.238 -5.843 -12.760 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.070 -6.949 -13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.717 -8.459 -12.859 1.00 0.00 H new ATOM 0 HG LEU A 42 2.431 -7.813 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.851 -6.875 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.709 -8.112 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.061 -6.387 -10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.097 -5.496 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.184 -4.893 -11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.643 -5.668 -11.974 1.00 0.00 H new ATOM 609 N GLY A 43 6.267 -9.029 -12.473 1.00 0.00 N ATOM 610 CA GLY A 43 7.149 -9.957 -11.723 1.00 0.00 C ATOM 611 C GLY A 43 8.610 -9.438 -11.715 1.00 0.00 C ATOM 612 O GLY A 43 9.365 -9.694 -10.766 1.00 0.00 O ATOM 0 H GLY A 43 5.666 -9.494 -13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.789 -10.061 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.112 -10.948 -12.176 1.00 0.00 H new ATOM 616 N THR A 44 9.000 -8.736 -12.795 1.00 0.00 N ATOM 617 CA THR A 44 10.395 -8.262 -12.998 1.00 0.00 C ATOM 618 C THR A 44 10.854 -7.496 -11.727 1.00 0.00 C ATOM 619 O THR A 44 11.856 -7.857 -11.097 1.00 0.00 O ATOM 620 CB THR A 44 10.540 -7.412 -14.299 1.00 0.00 C ATOM 621 OG1 THR A 44 9.788 -7.988 -15.364 1.00 0.00 O ATOM 622 CG2 THR A 44 11.985 -7.210 -14.793 1.00 0.00 C ATOM 0 H THR A 44 8.366 -8.479 -13.552 1.00 0.00 H new ATOM 0 HA THR A 44 11.051 -9.120 -13.143 1.00 0.00 H new ATOM 0 HB THR A 44 10.159 -6.430 -14.018 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.014 -7.538 -16.205 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.978 -6.607 -15.701 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.565 -6.700 -14.023 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.436 -8.179 -15.004 1.00 0.00 H new ATOM 630 N VAL A 45 10.122 -6.420 -11.384 1.00 0.00 N ATOM 631 CA VAL A 45 10.476 -5.504 -10.267 1.00 0.00 C ATOM 632 C VAL A 45 10.241 -6.270 -8.937 1.00 0.00 C ATOM 633 O VAL A 45 10.939 -6.031 -7.941 1.00 0.00 O ATOM 634 CB VAL A 45 9.700 -4.141 -10.359 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.181 -3.612 -8.999 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.536 -3.020 -11.024 1.00 0.00 C ATOM 0 H VAL A 45 9.265 -6.155 -11.870 1.00 0.00 H new ATOM 0 HA VAL A 45 11.526 -5.217 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 45 8.840 -4.385 -10.983 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.658 -2.668 -9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.497 -4.340 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.023 -3.455 -8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.950 -2.102 -11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.442 -2.849 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.805 -3.319 -12.037 1.00 0.00 H new ATOM 646 N MET A 46 9.254 -7.184 -8.930 1.00 0.00 N ATOM 647 CA MET A 46 8.927 -8.021 -7.743 1.00 0.00 C ATOM 648 C MET A 46 10.214 -8.772 -7.300 1.00 0.00 C ATOM 649 O MET A 46 10.395 -9.056 -6.108 1.00 0.00 O ATOM 650 CB MET A 46 7.755 -8.998 -8.046 1.00 0.00 C ATOM 651 CG MET A 46 6.394 -8.342 -8.343 1.00 0.00 C ATOM 652 SD MET A 46 5.082 -9.205 -7.451 1.00 0.00 S ATOM 653 CE MET A 46 5.077 -8.314 -5.881 1.00 0.00 C ATOM 0 H MET A 46 8.659 -7.369 -9.738 1.00 0.00 H new ATOM 0 HA MET A 46 8.587 -7.386 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.033 -9.615 -8.900 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.636 -9.668 -7.194 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.415 -7.293 -8.049 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.195 -8.369 -9.414 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.315 -8.736 -5.225 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.055 -8.405 -5.408 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.858 -7.261 -6.061 1.00 0.00 H new ATOM 663 N ARG A 47 11.082 -9.113 -8.270 1.00 0.00 N ATOM 664 CA ARG A 47 12.297 -9.937 -8.028 1.00 0.00 C ATOM 665 C ARG A 47 13.398 -9.067 -7.359 1.00 0.00 C ATOM 666 O ARG A 47 14.218 -9.581 -6.588 1.00 0.00 O ATOM 667 CB ARG A 47 12.805 -10.556 -9.361 1.00 0.00 C ATOM 668 CG ARG A 47 14.288 -10.267 -9.691 1.00 0.00 C ATOM 669 CD ARG A 47 15.270 -11.135 -8.880 1.00 0.00 C ATOM 670 NE ARG A 47 16.489 -10.383 -8.487 1.00 0.00 N ATOM 671 CZ ARG A 47 17.725 -10.598 -8.986 1.00 0.00 C ATOM 672 NH1 ARG A 47 18.011 -11.523 -9.901 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.713 -9.844 -8.539 1.00 0.00 N ATOM 0 H ARG A 47 10.968 -8.830 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 47 12.047 -10.756 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.661 -11.636 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.187 -10.182 -10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.457 -10.436 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.498 -9.215 -9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.770 -11.507 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.556 -12.005 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 47 16.384 -9.648 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.272 -12.123 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.969 -11.631 -10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.530 -9.126 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.659 -9.980 -8.895 1.00 0.00 H new ATOM 687 N MET A 48 13.421 -7.762 -7.692 1.00 0.00 N ATOM 688 CA MET A 48 14.481 -6.824 -7.230 1.00 0.00 C ATOM 689 C MET A 48 14.652 -6.995 -5.695 1.00 0.00 C ATOM 690 O MET A 48 15.754 -6.794 -5.163 1.00 0.00 O ATOM 691 CB MET A 48 14.162 -5.353 -7.619 1.00 0.00 C ATOM 692 CG MET A 48 14.976 -4.779 -8.795 1.00 0.00 C ATOM 693 SD MET A 48 16.201 -3.601 -8.184 1.00 0.00 S ATOM 694 CE MET A 48 15.648 -2.074 -8.971 1.00 0.00 C ATOM 0 H MET A 48 12.715 -7.324 -8.284 1.00 0.00 H new ATOM 0 HA MET A 48 15.421 -7.064 -7.728 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.103 -5.284 -7.867 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.327 -4.722 -6.746 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.473 -5.587 -9.332 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.309 -4.288 -9.504 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.310 -1.257 -8.685 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.667 -2.195 -10.054 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.632 -1.846 -8.650 1.00 0.00 H new ATOM 704 N LEU A 49 13.554 -7.334 -4.995 1.00 0.00 N ATOM 705 CA LEU A 49 13.550 -7.495 -3.516 1.00 0.00 C ATOM 706 C LEU A 49 13.821 -8.989 -3.190 1.00 0.00 C ATOM 707 O LEU A 49 13.139 -9.592 -2.352 1.00 0.00 O ATOM 708 CB LEU A 49 12.202 -7.005 -2.905 1.00 0.00 C ATOM 709 CG LEU A 49 10.888 -7.482 -3.589 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.587 -8.971 -3.318 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.687 -6.618 -3.155 1.00 0.00 C ATOM 0 H LEU A 49 12.647 -7.505 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 49 14.332 -6.881 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.172 -7.319 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.207 -5.915 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 49 11.043 -7.365 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.660 -9.252 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.405 -9.583 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.484 -9.132 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.784 -6.976 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.561 -6.687 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.866 -5.580 -3.434 1.00 0.00 H new ATOM 723 N GLY A 50 14.848 -9.568 -3.842 1.00 0.00 N ATOM 724 CA GLY A 50 15.305 -10.952 -3.561 1.00 0.00 C ATOM 725 C GLY A 50 14.103 -11.931 -3.531 1.00 0.00 C ATOM 726 O GLY A 50 13.667 -12.362 -2.454 1.00 0.00 O ATOM 0 H GLY A 50 15.383 -9.098 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.018 -11.267 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.828 -10.981 -2.605 1.00 0.00 H new ATOM 730 N GLN A 51 13.574 -12.263 -4.724 1.00 0.00 N ATOM 731 CA GLN A 51 12.485 -13.263 -4.887 1.00 0.00 C ATOM 732 C GLN A 51 12.554 -13.836 -6.329 1.00 0.00 C ATOM 733 O GLN A 51 13.397 -13.421 -7.133 1.00 0.00 O ATOM 734 CB GLN A 51 11.108 -12.612 -4.569 1.00 0.00 C ATOM 735 CG GLN A 51 10.096 -13.497 -3.802 1.00 0.00 C ATOM 736 CD GLN A 51 10.076 -13.270 -2.280 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.043 -13.564 -1.578 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.986 -12.746 -1.739 1.00 0.00 N ATOM 0 H GLN A 51 13.884 -11.851 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 51 12.609 -14.088 -4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.283 -11.707 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.650 -12.303 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.097 -13.311 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.327 -14.544 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.189 -12.505 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.944 -12.583 -0.733 1.00 0.00 H new ATOM 747 N ASN A 52 11.638 -14.770 -6.646 1.00 0.00 N ATOM 748 CA ASN A 52 11.497 -15.336 -8.013 1.00 0.00 C ATOM 749 C ASN A 52 10.022 -15.820 -8.258 1.00 0.00 C ATOM 750 O ASN A 52 9.706 -16.948 -7.862 1.00 0.00 O ATOM 751 CB ASN A 52 12.533 -16.481 -8.191 1.00 0.00 C ATOM 752 CG ASN A 52 12.888 -16.811 -9.656 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.826 -15.954 -10.537 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.259 -18.050 -9.948 1.00 0.00 N ATOM 0 H ASN A 52 10.976 -15.155 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 52 11.701 -14.571 -8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.447 -16.210 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.144 -17.381 -7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.496 -18.299 -10.909 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.308 -18.755 -9.212 1.00 0.00 H new ATOM 761 N PRO A 53 9.087 -15.013 -8.849 1.00 0.00 N ATOM 762 CA PRO A 53 7.668 -15.411 -9.044 1.00 0.00 C ATOM 763 C PRO A 53 7.483 -16.338 -10.276 1.00 0.00 C ATOM 764 O PRO A 53 8.460 -16.737 -10.921 1.00 0.00 O ATOM 765 CB PRO A 53 6.970 -14.041 -9.174 1.00 0.00 C ATOM 766 CG PRO A 53 8.013 -13.109 -9.798 1.00 0.00 C ATOM 767 CD PRO A 53 9.349 -13.611 -9.255 1.00 0.00 C ATOM 0 HA PRO A 53 7.254 -16.015 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.081 -14.111 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.646 -13.672 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.985 -13.154 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.836 -12.071 -9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.130 -13.558 -10.013 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.684 -13.010 -8.410 1.00 0.00 H new ATOM 775 N THR A 54 6.218 -16.684 -10.579 1.00 0.00 N ATOM 776 CA THR A 54 5.859 -17.560 -11.727 1.00 0.00 C ATOM 777 C THR A 54 4.773 -16.844 -12.577 1.00 0.00 C ATOM 778 O THR A 54 4.076 -15.949 -12.084 1.00 0.00 O ATOM 779 CB THR A 54 5.422 -18.985 -11.264 1.00 0.00 C ATOM 780 OG1 THR A 54 5.412 -19.890 -12.366 1.00 0.00 O ATOM 781 CG2 THR A 54 4.045 -19.058 -10.577 1.00 0.00 C ATOM 0 H THR A 54 5.412 -16.368 -10.040 1.00 0.00 H new ATOM 0 HA THR A 54 6.739 -17.723 -12.349 1.00 0.00 H new ATOM 0 HB THR A 54 6.166 -19.262 -10.517 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.137 -20.779 -12.057 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.834 -20.089 -10.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.049 -18.430 -9.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.276 -18.706 -11.265 1.00 0.00 H new ATOM 789 N LYS A 55 4.667 -17.233 -13.861 1.00 0.00 N ATOM 790 CA LYS A 55 3.757 -16.576 -14.837 1.00 0.00 C ATOM 791 C LYS A 55 2.302 -16.725 -14.315 1.00 0.00 C ATOM 792 O LYS A 55 1.487 -15.804 -14.444 1.00 0.00 O ATOM 793 CB LYS A 55 3.952 -17.189 -16.257 1.00 0.00 C ATOM 794 CG LYS A 55 2.860 -16.886 -17.312 1.00 0.00 C ATOM 795 CD LYS A 55 2.221 -18.129 -17.974 1.00 0.00 C ATOM 796 CE LYS A 55 2.092 -19.357 -17.050 1.00 0.00 C ATOM 797 NZ LYS A 55 2.151 -20.641 -17.775 1.00 0.00 N ATOM 0 H LYS A 55 5.203 -18.006 -14.256 1.00 0.00 H new ATOM 0 HA LYS A 55 3.985 -15.514 -14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.907 -16.839 -16.648 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.029 -18.271 -16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.072 -16.301 -16.838 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.295 -16.262 -18.093 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.230 -17.860 -18.339 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.816 -18.407 -18.844 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.890 -19.330 -16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.149 -19.297 -16.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.059 -21.426 -17.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.375 -20.686 -18.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.061 -20.717 -18.272 1.00 0.00 H new ATOM 811 N GLU A 56 1.996 -17.897 -13.728 1.00 0.00 N ATOM 812 CA GLU A 56 0.624 -18.244 -13.273 1.00 0.00 C ATOM 813 C GLU A 56 0.273 -17.351 -12.051 1.00 0.00 C ATOM 814 O GLU A 56 -0.869 -16.897 -11.908 1.00 0.00 O ATOM 815 CB GLU A 56 0.520 -19.769 -12.981 1.00 0.00 C ATOM 816 CG GLU A 56 -0.791 -20.467 -13.412 1.00 0.00 C ATOM 817 CD GLU A 56 -1.700 -20.871 -12.246 1.00 0.00 C ATOM 818 OE1 GLU A 56 -2.325 -19.980 -11.629 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.792 -22.081 -11.942 1.00 0.00 O ATOM 0 H GLU A 56 2.683 -18.630 -13.554 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.111 -18.044 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.352 -20.269 -13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.651 -19.921 -11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.343 -19.801 -14.075 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.543 -21.357 -13.990 1.00 0.00 H new ATOM 826 N GLU A 57 1.263 -17.136 -11.165 1.00 0.00 N ATOM 827 CA GLU A 57 1.066 -16.397 -9.890 1.00 0.00 C ATOM 828 C GLU A 57 0.771 -14.906 -10.209 1.00 0.00 C ATOM 829 O GLU A 57 0.012 -14.244 -9.491 1.00 0.00 O ATOM 830 CB GLU A 57 2.284 -16.578 -8.939 1.00 0.00 C ATOM 831 CG GLU A 57 2.607 -15.426 -7.954 1.00 0.00 C ATOM 832 CD GLU A 57 2.525 -15.822 -6.476 1.00 0.00 C ATOM 833 OE1 GLU A 57 3.281 -16.722 -6.047 1.00 0.00 O ATOM 834 OE2 GLU A 57 1.702 -15.236 -5.738 1.00 0.00 O ATOM 0 H GLU A 57 2.218 -17.465 -11.305 1.00 0.00 H new ATOM 0 HA GLU A 57 0.209 -16.807 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.121 -17.483 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.167 -16.751 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.610 -15.054 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.917 -14.602 -8.137 1.00 0.00 H new ATOM 841 N LEU A 58 1.406 -14.385 -11.275 1.00 0.00 N ATOM 842 CA LEU A 58 1.307 -12.951 -11.659 1.00 0.00 C ATOM 843 C LEU A 58 -0.126 -12.671 -12.187 1.00 0.00 C ATOM 844 O LEU A 58 -0.681 -11.589 -11.963 1.00 0.00 O ATOM 845 CB LEU A 58 2.431 -12.632 -12.686 1.00 0.00 C ATOM 846 CG LEU A 58 3.730 -11.986 -12.124 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.481 -10.621 -11.445 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.425 -12.942 -11.134 1.00 0.00 C ATOM 0 H LEU A 58 2.000 -14.936 -11.895 1.00 0.00 H new ATOM 0 HA LEU A 58 1.461 -12.288 -10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.703 -13.559 -13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.020 -11.965 -13.444 1.00 0.00 H new ATOM 0 HG LEU A 58 4.379 -11.806 -12.981 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.425 -10.222 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.053 -9.927 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.789 -10.749 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.332 -12.473 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.752 -13.160 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.684 -13.869 -11.645 1.00 0.00 H new ATOM 860 N ASP A 59 -0.714 -13.671 -12.870 1.00 0.00 N ATOM 861 CA ASP A 59 -2.048 -13.543 -13.516 1.00 0.00 C ATOM 862 C ASP A 59 -3.122 -13.364 -12.410 1.00 0.00 C ATOM 863 O ASP A 59 -4.114 -12.650 -12.601 1.00 0.00 O ATOM 864 CB ASP A 59 -2.348 -14.747 -14.455 1.00 0.00 C ATOM 865 CG ASP A 59 -3.657 -14.667 -15.260 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.677 -13.998 -16.316 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.664 -15.278 -14.840 1.00 0.00 O ATOM 0 H ASP A 59 -0.286 -14.589 -12.993 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.062 -12.663 -14.159 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.520 -14.850 -15.156 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.371 -15.655 -13.852 1.00 0.00 H new ATOM 872 N ALA A 60 -2.924 -14.046 -11.267 1.00 0.00 N ATOM 873 CA ALA A 60 -3.908 -14.067 -10.152 1.00 0.00 C ATOM 874 C ALA A 60 -3.774 -12.772 -9.303 1.00 0.00 C ATOM 875 O ALA A 60 -4.772 -12.245 -8.798 1.00 0.00 O ATOM 876 CB ALA A 60 -3.687 -15.336 -9.306 1.00 0.00 C ATOM 0 H ALA A 60 -2.085 -14.597 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.924 -14.094 -10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.406 -15.357 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.824 -16.218 -9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.675 -15.332 -8.901 1.00 0.00 H new ATOM 882 N ILE A 61 -2.532 -12.270 -9.179 1.00 0.00 N ATOM 883 CA ILE A 61 -2.220 -11.052 -8.384 1.00 0.00 C ATOM 884 C ILE A 61 -3.045 -9.898 -9.019 1.00 0.00 C ATOM 885 O ILE A 61 -3.643 -9.086 -8.301 1.00 0.00 O ATOM 886 CB ILE A 61 -0.670 -10.787 -8.294 1.00 0.00 C ATOM 887 CG1 ILE A 61 -0.056 -11.255 -6.936 1.00 0.00 C ATOM 888 CG2 ILE A 61 -0.303 -9.302 -8.560 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.656 -10.168 -6.113 1.00 0.00 C ATOM 0 H ILE A 61 -1.715 -12.690 -9.622 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.508 -11.161 -7.338 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.231 -11.392 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.853 -11.682 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.655 -12.056 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.777 -9.175 -8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.634 -9.019 -9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.794 -8.668 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.043 -10.604 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.481 -9.754 -6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.051 -9.374 -5.870 1.00 0.00 H new ATOM 901 N ILE A 62 -3.064 -9.841 -10.363 1.00 0.00 N ATOM 902 CA ILE A 62 -3.711 -8.743 -11.132 1.00 0.00 C ATOM 903 C ILE A 62 -5.243 -8.955 -10.984 1.00 0.00 C ATOM 904 O ILE A 62 -5.991 -7.991 -10.772 1.00 0.00 O ATOM 905 CB ILE A 62 -3.191 -8.678 -12.617 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.756 -8.070 -12.728 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.164 -7.916 -13.557 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.263 -7.770 -14.153 1.00 0.00 C ATOM 0 H ILE A 62 -2.633 -10.552 -10.954 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.450 -7.760 -10.741 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.143 -9.716 -12.947 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.729 -7.145 -12.152 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.053 -8.758 -12.258 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.757 -7.901 -14.568 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.132 -8.418 -13.563 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.288 -6.893 -13.201 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.257 -7.352 -14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.248 -8.692 -14.734 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.934 -7.053 -14.627 1.00 0.00 H new ATOM 920 N GLU A 63 -5.694 -10.216 -11.124 1.00 0.00 N ATOM 921 CA GLU A 63 -7.133 -10.579 -11.010 1.00 0.00 C ATOM 922 C GLU A 63 -7.698 -9.935 -9.715 1.00 0.00 C ATOM 923 O GLU A 63 -8.859 -9.510 -9.677 1.00 0.00 O ATOM 924 CB GLU A 63 -7.313 -12.124 -11.066 1.00 0.00 C ATOM 925 CG GLU A 63 -8.737 -12.663 -10.790 1.00 0.00 C ATOM 926 CD GLU A 63 -8.771 -14.096 -10.249 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.775 -14.534 -9.631 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.795 -14.790 -10.436 1.00 0.00 O ATOM 0 H GLU A 63 -5.084 -11.010 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.703 -10.189 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.003 -12.468 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.632 -12.573 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.231 -12.005 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.315 -12.621 -11.713 1.00 0.00 H new ATOM 935 N GLU A 64 -6.861 -9.873 -8.664 1.00 0.00 N ATOM 936 CA GLU A 64 -7.277 -9.388 -7.321 1.00 0.00 C ATOM 937 C GLU A 64 -7.529 -7.858 -7.409 1.00 0.00 C ATOM 938 O GLU A 64 -8.669 -7.397 -7.278 1.00 0.00 O ATOM 939 CB GLU A 64 -6.220 -9.785 -6.251 1.00 0.00 C ATOM 940 CG GLU A 64 -5.619 -8.632 -5.412 1.00 0.00 C ATOM 941 CD GLU A 64 -5.140 -9.053 -4.020 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.964 -9.458 -3.881 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.935 -8.978 -3.057 1.00 0.00 O ATOM 0 H GLU A 64 -5.882 -10.154 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.207 -9.859 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.678 -10.501 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.403 -10.302 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.780 -8.200 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.368 -7.847 -5.304 1.00 0.00 H new ATOM 950 N VAL A 65 -6.448 -7.086 -7.629 1.00 0.00 N ATOM 951 CA VAL A 65 -6.494 -5.599 -7.633 1.00 0.00 C ATOM 952 C VAL A 65 -6.613 -5.140 -9.112 1.00 0.00 C ATOM 953 O VAL A 65 -5.633 -4.674 -9.708 1.00 0.00 O ATOM 954 CB VAL A 65 -5.271 -4.972 -6.872 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.890 -5.378 -7.444 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.331 -3.427 -6.811 1.00 0.00 C ATOM 0 H VAL A 65 -5.519 -7.467 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.362 -5.238 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.363 -5.388 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.101 -4.902 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.778 -6.461 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.818 -5.057 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.461 -3.050 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.336 -3.023 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.239 -3.118 -6.293 1.00 0.00 H new ATOM 966 N ASP A 66 -7.820 -5.277 -9.691 1.00 0.00 N ATOM 967 CA ASP A 66 -8.092 -4.882 -11.100 1.00 0.00 C ATOM 968 C ASP A 66 -9.604 -5.083 -11.388 1.00 0.00 C ATOM 969 O ASP A 66 -9.993 -5.952 -12.179 1.00 0.00 O ATOM 970 CB ASP A 66 -7.179 -5.653 -12.098 1.00 0.00 C ATOM 971 CG ASP A 66 -7.230 -5.183 -13.562 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.579 -4.168 -13.896 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.927 -5.824 -14.379 1.00 0.00 O ATOM 0 H ASP A 66 -8.632 -5.660 -9.207 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.850 -3.829 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.149 -5.578 -11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.450 -6.708 -12.067 1.00 0.00 H new ATOM 978 N GLU A 67 -10.449 -4.286 -10.710 1.00 0.00 N ATOM 979 CA GLU A 67 -11.929 -4.360 -10.812 1.00 0.00 C ATOM 980 C GLU A 67 -12.417 -3.471 -11.987 1.00 0.00 C ATOM 981 O GLU A 67 -13.570 -3.005 -11.977 1.00 0.00 O ATOM 982 CB GLU A 67 -12.575 -3.967 -9.447 1.00 0.00 C ATOM 983 CG GLU A 67 -14.058 -4.361 -9.248 1.00 0.00 C ATOM 984 CD GLU A 67 -14.527 -4.324 -7.790 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.709 -4.595 -6.884 1.00 0.00 O ATOM 986 OE2 GLU A 67 -15.717 -4.027 -7.545 1.00 0.00 O ATOM 0 H GLU A 67 -10.126 -3.563 -10.067 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.242 -5.381 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.990 -4.424 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.490 -2.887 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.683 -3.689 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.211 -5.366 -9.642 1.00 0.00 H new ATOM 993 N ASP A 68 -11.558 -3.233 -12.994 1.00 0.00 N ATOM 994 CA ASP A 68 -11.876 -2.363 -14.158 1.00 0.00 C ATOM 995 C ASP A 68 -12.182 -3.264 -15.384 1.00 0.00 C ATOM 996 O ASP A 68 -13.160 -3.044 -16.110 1.00 0.00 O ATOM 997 CB ASP A 68 -10.739 -1.337 -14.437 1.00 0.00 C ATOM 998 CG ASP A 68 -9.558 -1.849 -15.280 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.736 -2.066 -16.499 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.451 -2.027 -14.727 1.00 0.00 O ATOM 0 H ASP A 68 -10.621 -3.635 -13.031 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.760 -1.764 -13.937 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.172 -0.474 -14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.351 -0.986 -13.481 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.348 -4.304 -15.591 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.531 -5.269 -16.704 1.00 0.00 C ATOM 1007 C GLY A 69 -10.612 -4.895 -17.895 1.00 0.00 C ATOM 1008 O GLY A 69 -11.092 -4.640 -19.008 1.00 0.00 O ATOM 0 H GLY A 69 -10.538 -4.500 -15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.302 -6.278 -16.361 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.572 -5.271 -17.026 1.00 0.00 H new ATOM 1012 N SER A 70 -9.290 -4.868 -17.641 1.00 0.00 N ATOM 1013 CA SER A 70 -8.264 -4.568 -18.674 1.00 0.00 C ATOM 1014 C SER A 70 -7.137 -5.634 -18.622 1.00 0.00 C ATOM 1015 O SER A 70 -6.777 -6.235 -19.642 1.00 0.00 O ATOM 1016 CB SER A 70 -7.727 -3.133 -18.464 1.00 0.00 C ATOM 1017 OG SER A 70 -7.213 -2.958 -17.147 1.00 0.00 O ATOM 0 H SER A 70 -8.897 -5.052 -16.718 1.00 0.00 H new ATOM 0 HA SER A 70 -8.705 -4.613 -19.670 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.943 -2.926 -19.193 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.526 -2.414 -18.643 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.583 -5.861 -17.414 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.496 -6.850 -17.204 1.00 0.00 C ATOM 1025 C GLY A 71 -4.146 -6.122 -16.970 1.00 0.00 C ATOM 1026 O GLY A 71 -3.284 -6.612 -16.229 1.00 0.00 O ATOM 0 H GLY A 71 -6.868 -5.374 -16.565 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.730 -7.482 -16.347 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.418 -7.505 -18.071 1.00 0.00 H new ATOM 1030 N THR A 72 -3.984 -4.950 -17.614 1.00 0.00 N ATOM 1031 CA THR A 72 -2.724 -4.161 -17.574 1.00 0.00 C ATOM 1032 C THR A 72 -2.852 -3.069 -16.478 1.00 0.00 C ATOM 1033 O THR A 72 -3.936 -2.513 -16.265 1.00 0.00 O ATOM 1034 CB THR A 72 -2.355 -3.572 -18.972 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.494 -2.967 -19.580 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.762 -4.581 -19.974 1.00 0.00 C ATOM 0 H THR A 72 -4.717 -4.519 -18.177 1.00 0.00 H new ATOM 0 HA THR A 72 -1.895 -4.819 -17.315 1.00 0.00 H new ATOM 0 HB THR A 72 -1.575 -2.843 -18.754 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.426 -1.992 -19.505 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.540 -4.074 -20.913 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.845 -5.004 -19.564 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.481 -5.380 -20.155 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.740 -2.791 -15.771 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.695 -1.771 -14.688 1.00 0.00 C ATOM 1046 C ILE A 73 -1.228 -0.449 -15.357 1.00 0.00 C ATOM 1047 O ILE A 73 -0.039 -0.107 -15.312 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.817 -2.244 -13.469 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.440 -3.461 -12.713 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.515 -1.095 -12.470 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.055 -4.851 -13.246 1.00 0.00 C ATOM 0 H ILE A 73 -0.848 -3.261 -15.928 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.673 -1.612 -14.234 1.00 0.00 H new ATOM 0 HB ILE A 73 0.127 -2.568 -13.907 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.147 -3.401 -11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.526 -3.368 -12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.093 -1.476 -11.650 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.026 -0.300 -12.983 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.451 -0.701 -12.075 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.544 -5.619 -12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.373 -4.944 -14.284 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.026 -4.977 -13.185 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.179 0.298 -15.948 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.892 1.586 -16.635 1.00 0.00 C ATOM 1065 C ASP A 74 -1.615 2.678 -15.564 1.00 0.00 C ATOM 1066 O ASP A 74 -1.959 2.511 -14.387 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.037 1.983 -17.611 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.636 0.841 -18.451 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -2.879 0.172 -19.189 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.865 0.616 -18.379 1.00 0.00 O ATOM 0 H ASP A 74 -3.164 0.034 -15.967 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.002 1.477 -17.255 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.839 2.440 -17.031 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.659 2.747 -18.290 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.019 3.805 -15.996 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.670 4.935 -15.093 1.00 0.00 C ATOM 1077 C PHE A 75 -1.939 5.389 -14.322 1.00 0.00 C ATOM 1078 O PHE A 75 -1.834 5.981 -13.238 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.034 6.105 -15.903 1.00 0.00 C ATOM 1080 CG PHE A 75 0.702 7.163 -15.058 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.859 6.820 -14.348 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.215 8.474 -14.978 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.483 7.755 -13.525 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.841 9.407 -14.154 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.959 9.040 -13.411 1.00 0.00 C ATOM 0 H PHE A 75 -0.765 3.965 -16.971 1.00 0.00 H new ATOM 0 HA PHE A 75 0.073 4.608 -14.366 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.668 5.687 -16.625 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.820 6.601 -16.473 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.270 5.825 -14.439 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.649 8.763 -15.558 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.372 7.483 -12.976 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.459 10.415 -14.092 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.421 9.753 -12.745 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.127 5.143 -14.900 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.432 5.597 -14.346 1.00 0.00 C ATOM 1097 C GLU A 76 -5.015 4.514 -13.399 1.00 0.00 C ATOM 1098 O GLU A 76 -6.221 4.238 -13.426 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.407 5.966 -15.505 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.793 6.584 -16.787 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.635 6.383 -18.051 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.861 5.219 -18.449 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.070 7.390 -18.653 1.00 0.00 O ATOM 0 H GLU A 76 -3.219 4.621 -15.771 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.286 6.498 -13.751 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.946 5.063 -15.792 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.145 6.667 -15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.648 7.652 -16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.807 6.149 -16.949 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.142 3.902 -12.577 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.536 2.878 -11.573 1.00 0.00 C ATOM 1112 C GLU A 77 -3.369 2.669 -10.569 1.00 0.00 C ATOM 1113 O GLU A 77 -3.598 2.492 -9.366 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.960 1.540 -12.246 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.376 1.251 -13.648 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.260 0.323 -14.486 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.901 -0.584 -13.910 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.323 0.499 -15.723 1.00 0.00 O ATOM 0 H GLU A 77 -3.141 4.099 -12.585 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.411 3.237 -11.031 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.676 0.722 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.047 1.527 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.241 2.193 -14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.389 0.802 -13.539 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.125 2.689 -11.080 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.900 2.504 -10.256 1.00 0.00 C ATOM 1127 C PHE A 78 -0.919 3.533 -9.092 1.00 0.00 C ATOM 1128 O PHE A 78 -0.630 3.188 -7.940 1.00 0.00 O ATOM 1129 CB PHE A 78 0.378 2.631 -11.142 1.00 0.00 C ATOM 1130 CG PHE A 78 1.708 2.302 -10.434 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.838 1.138 -9.667 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.816 3.142 -10.597 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.056 0.823 -9.069 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.035 2.821 -10.003 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.154 1.663 -9.241 1.00 0.00 C ATOM 0 H PHE A 78 -1.933 2.833 -12.071 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.881 1.502 -9.826 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.271 1.970 -12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.433 3.649 -11.527 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.990 0.481 -9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.726 4.043 -11.186 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.149 -0.072 -8.472 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.887 3.471 -10.134 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.100 1.415 -8.782 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.232 4.800 -9.420 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.190 5.930 -8.454 1.00 0.00 C ATOM 1147 C LEU A 79 -2.386 5.790 -7.473 1.00 0.00 C ATOM 1148 O LEU A 79 -2.304 6.229 -6.319 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.213 7.298 -9.202 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.598 7.862 -9.632 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.829 9.305 -9.137 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -2.777 7.798 -11.162 1.00 0.00 C ATOM 0 H LEU A 79 -1.521 5.076 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.261 5.899 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.733 8.039 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.597 7.202 -10.096 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.346 7.226 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.810 9.649 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.781 9.328 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.059 9.958 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.754 8.199 -11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.997 8.387 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.706 6.762 -11.494 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.496 5.196 -7.950 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.728 4.994 -7.138 1.00 0.00 C ATOM 1166 C VAL A 80 -4.398 3.993 -5.998 1.00 0.00 C ATOM 1167 O VAL A 80 -4.973 4.076 -4.904 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.947 4.558 -8.027 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.080 3.893 -7.208 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.568 5.705 -8.862 1.00 0.00 C ATOM 0 H VAL A 80 -3.572 4.841 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.043 5.935 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.508 3.833 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.895 3.613 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.695 3.002 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.448 4.595 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.403 5.319 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.925 6.489 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.814 6.115 -9.534 1.00 0.00 H new ATOM 1180 N MET A 81 -3.494 3.033 -6.273 1.00 0.00 N ATOM 1181 CA MET A 81 -3.081 1.989 -5.297 1.00 0.00 C ATOM 1182 C MET A 81 -2.165 2.647 -4.229 1.00 0.00 C ATOM 1183 O MET A 81 -2.379 2.470 -3.022 1.00 0.00 O ATOM 1184 CB MET A 81 -2.386 0.794 -6.009 1.00 0.00 C ATOM 1185 CG MET A 81 -2.759 -0.607 -5.487 1.00 0.00 C ATOM 1186 SD MET A 81 -1.555 -1.825 -6.065 1.00 0.00 S ATOM 1187 CE MET A 81 -2.387 -2.477 -7.528 1.00 0.00 C ATOM 0 H MET A 81 -3.026 2.954 -7.176 1.00 0.00 H new ATOM 0 HA MET A 81 -3.960 1.576 -4.803 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.624 0.840 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.307 0.919 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.788 -0.602 -4.397 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.757 -0.878 -5.832 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.391 -3.566 -7.489 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.413 -2.111 -7.556 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.860 -2.148 -8.423 1.00 0.00 H new ATOM 1197 N MET A 82 -1.129 3.374 -4.691 1.00 0.00 N ATOM 1198 CA MET A 82 -0.100 3.970 -3.796 1.00 0.00 C ATOM 1199 C MET A 82 -0.784 4.938 -2.793 1.00 0.00 C ATOM 1200 O MET A 82 -0.302 5.122 -1.668 1.00 0.00 O ATOM 1201 CB MET A 82 0.997 4.676 -4.641 1.00 0.00 C ATOM 1202 CG MET A 82 2.179 3.785 -5.074 1.00 0.00 C ATOM 1203 SD MET A 82 3.759 4.528 -4.603 1.00 0.00 S ATOM 1204 CE MET A 82 4.499 3.217 -3.609 1.00 0.00 C ATOM 0 H MET A 82 -0.976 3.567 -5.681 1.00 0.00 H new ATOM 0 HA MET A 82 0.393 3.187 -3.219 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.531 5.091 -5.535 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.389 5.515 -4.067 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.085 2.801 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.151 3.637 -6.153 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.478 3.539 -3.253 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.856 3.000 -2.756 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.611 2.319 -4.217 1.00 0.00 H new ATOM 1214 N VAL A 83 -1.890 5.570 -3.227 1.00 0.00 N ATOM 1215 CA VAL A 83 -2.675 6.515 -2.388 1.00 0.00 C ATOM 1216 C VAL A 83 -3.354 5.685 -1.263 1.00 0.00 C ATOM 1217 O VAL A 83 -3.410 6.121 -0.107 1.00 0.00 O ATOM 1218 CB VAL A 83 -3.681 7.364 -3.244 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -4.988 7.739 -2.503 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.050 8.666 -3.793 1.00 0.00 C ATOM 0 H VAL A 83 -2.270 5.445 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.023 7.260 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.933 6.696 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.626 8.324 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.511 6.830 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.748 8.327 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.791 9.212 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.714 9.286 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.199 8.418 -4.428 1.00 0.00 H new ATOM 1230 N ARG A 84 -3.872 4.496 -1.625 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.634 3.619 -0.696 1.00 0.00 C ATOM 1232 C ARG A 84 -3.700 3.236 0.484 1.00 0.00 C ATOM 1233 O ARG A 84 -4.150 3.107 1.629 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.155 2.356 -1.438 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.665 2.366 -1.772 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.997 1.571 -3.049 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.097 0.115 -2.782 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.135 -0.664 -3.149 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.820 -0.415 -4.257 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.473 -1.733 -2.440 1.00 0.00 N ATOM 0 H ARG A 84 -3.778 4.111 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.508 4.146 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.594 2.242 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.940 1.480 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.221 1.947 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.999 3.396 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.938 1.929 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.227 1.751 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.325 -0.329 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.565 0.377 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.602 -1.015 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.945 -1.977 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.261 -2.311 -2.733 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.405 3.029 0.180 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.405 2.549 1.172 1.00 0.00 C ATOM 1256 C GLN A 85 -0.984 3.745 2.069 1.00 0.00 C ATOM 1257 O GLN A 85 -0.713 3.574 3.264 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.195 1.897 0.442 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.290 0.372 0.192 1.00 0.00 C ATOM 1260 CD GLN A 85 0.457 -0.491 1.223 1.00 0.00 C ATOM 1261 OE1 GLN A 85 1.108 0.021 2.134 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.380 -1.809 1.110 1.00 0.00 N ATOM 0 H GLN A 85 -2.018 3.186 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.836 1.778 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.066 2.395 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.704 2.093 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.341 0.082 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.105 0.154 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.161 -2.225 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.862 -2.407 1.781 1.00 0.00 H new ATOM 1271 N MET A 86 -0.951 4.953 1.478 1.00 0.00 N ATOM 1272 CA MET A 86 -0.485 6.188 2.162 1.00 0.00 C ATOM 1273 C MET A 86 -1.439 6.462 3.356 1.00 0.00 C ATOM 1274 O MET A 86 -0.993 6.853 4.441 1.00 0.00 O ATOM 1275 CB MET A 86 -0.407 7.383 1.162 1.00 0.00 C ATOM 1276 CG MET A 86 -1.546 8.411 1.298 1.00 0.00 C ATOM 1277 SD MET A 86 -1.134 9.941 0.437 1.00 0.00 S ATOM 1278 CE MET A 86 -2.207 9.838 -1.010 1.00 0.00 C ATOM 0 H MET A 86 -1.245 5.108 0.514 1.00 0.00 H new ATOM 0 HA MET A 86 0.527 6.059 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.545 7.895 1.302 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.410 6.989 0.146 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.467 7.996 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.730 8.620 2.352 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.279 10.819 -1.480 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.791 9.124 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.200 9.509 -0.704 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.753 6.280 3.121 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.799 6.492 4.158 1.00 0.00 C ATOM 1290 C LYS A 87 -3.624 5.407 5.256 1.00 0.00 C ATOM 1291 O LYS A 87 -2.859 4.451 5.081 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.238 6.418 3.572 1.00 0.00 C ATOM 1293 CG LYS A 87 -5.949 5.053 3.725 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.406 5.012 3.219 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.730 6.016 2.094 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.961 5.642 1.377 1.00 0.00 N ATOM 0 H LYS A 87 -3.124 5.985 2.218 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.676 7.493 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.848 7.182 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.193 6.668 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.373 4.299 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.939 4.772 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.623 4.005 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.073 5.203 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.843 7.014 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.897 6.059 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.151 6.337 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.843 4.699 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.759 5.625 2.043 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.341 5.574 6.383 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.286 4.626 7.528 1.00 0.00 C ATOM 1312 C GLU A 88 -5.174 3.398 7.189 1.00 0.00 C ATOM 1313 O GLU A 88 -6.407 3.482 7.222 1.00 0.00 O ATOM 1314 CB GLU A 88 -4.692 5.346 8.846 1.00 0.00 C ATOM 1315 CG GLU A 88 -5.941 6.257 8.779 1.00 0.00 C ATOM 1316 CD GLU A 88 -6.780 6.266 10.061 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -6.222 6.009 11.151 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -8.001 6.527 9.983 1.00 0.00 O ATOM 0 H GLU A 88 -4.972 6.361 6.532 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.271 4.265 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.864 4.588 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.847 5.949 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.622 7.276 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.569 5.933 7.949 1.00 0.00 H new ATOM 1325 N ASP A 89 -4.525 2.257 6.891 1.00 0.00 N ATOM 1326 CA ASP A 89 -5.221 0.967 6.643 1.00 0.00 C ATOM 1327 C ASP A 89 -4.453 -0.163 7.383 1.00 0.00 C ATOM 1328 O ASP A 89 -3.785 -0.991 6.753 1.00 0.00 O ATOM 1329 CB ASP A 89 -5.382 0.684 5.121 1.00 0.00 C ATOM 1330 CG ASP A 89 -6.603 -0.159 4.716 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -7.681 0.000 5.330 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -6.485 -0.984 3.783 1.00 0.00 O ATOM 0 H ASP A 89 -3.510 2.196 6.814 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.236 1.016 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.435 1.639 4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.483 0.178 4.769 1.00 0.00 H new ATOM 1337 N ALA A 90 -4.579 -0.189 8.723 1.00 0.00 N ATOM 1338 CA ALA A 90 -3.848 -1.151 9.589 1.00 0.00 C ATOM 1339 C ALA A 90 -2.371 -0.720 9.671 1.00 0.00 C ATOM 1340 O ALA A 90 -1.671 -1.141 10.644 1.00 0.00 O ATOM 1341 CB ALA A 90 -4.003 -2.592 9.060 1.00 0.00 C ATOM 1342 OXT ALA A 90 -1.881 0.037 8.776 1.00 0.00 O ATOM 0 H ALA A 90 -5.185 0.449 9.239 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.270 -1.143 10.594 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.460 -3.278 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.059 -2.863 9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.600 -2.654 8.049 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.526 -2.210 -20.682 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.201 -1.944 -15.523 1.00 0.00 CA