USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 Single : A 3 MET CE :methyl 164:sc= -0.761 (180deg=-1.04) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 6 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.9) USER MOD Single : A 7 GLN :FLIP amide:sc= -2.21 F(o=-6.9,f=-2.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 144:sc= -3.39! (180deg=-6.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 82:sc= -2.67! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 68:sc= -0.133 USER MOD Single : A 46 MET CE :methyl 136:sc= -3.22! (180deg=-5.93!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -4.56! C(o=-9.4!,f=-4.6!) USER MOD Single : A 52 ASN : amide:sc= -0.0679 X(o=-0.068,f=-0.25) 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 70 SER OG : rot 9:sc= 0.682 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 81 MET CE :methyl 175:sc= -3.13! (180deg=-3.35!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0225 K(o=-0.023,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -12.473 -5.064 -0.950 1.00 0.00 N ATOM 25 CA MET A 3 -12.251 -6.239 -0.062 1.00 0.00 C ATOM 26 C MET A 3 -12.877 -7.483 -0.696 1.00 0.00 C ATOM 27 O MET A 3 -13.141 -8.466 -0.032 1.00 0.00 O ATOM 28 CB MET A 3 -12.905 -5.978 1.296 1.00 0.00 C ATOM 29 CG MET A 3 -11.835 -5.979 2.389 1.00 0.00 C ATOM 30 SD MET A 3 -11.953 -4.449 3.349 1.00 0.00 S ATOM 31 CE MET A 3 -10.228 -3.933 3.166 1.00 0.00 C ATOM 0 HA MET A 3 -11.181 -6.398 0.071 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.425 -5.020 1.283 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.653 -6.743 1.504 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.967 -6.842 3.042 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.844 -6.066 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.132 -2.881 3.435 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.597 -4.533 3.821 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.914 -4.073 2.132 1.00 0.00 H new ATOM 41 N THR A 4 -13.124 -7.447 -1.978 1.00 0.00 N ATOM 42 CA THR A 4 -13.740 -8.626 -2.652 1.00 0.00 C ATOM 43 C THR A 4 -12.645 -9.566 -3.181 1.00 0.00 C ATOM 44 O THR A 4 -12.071 -10.337 -2.436 1.00 0.00 O ATOM 45 CB THR A 4 -14.632 -8.148 -3.806 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.839 -9.216 -4.721 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.963 -6.973 -4.524 1.00 0.00 C ATOM 0 H THR A 4 -12.926 -6.653 -2.587 1.00 0.00 H new ATOM 0 HA THR A 4 -14.348 -9.174 -1.932 1.00 0.00 H new ATOM 0 HB THR A 4 -15.593 -7.823 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.410 -8.911 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.599 -6.637 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.814 -6.154 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.999 -7.291 -4.921 1.00 0.00 H new ATOM 55 N ASP A 5 -12.353 -9.522 -4.458 1.00 0.00 N ATOM 56 CA ASP A 5 -11.306 -10.422 -5.018 1.00 0.00 C ATOM 57 C ASP A 5 -9.940 -9.731 -4.980 1.00 0.00 C ATOM 58 O ASP A 5 -8.951 -10.314 -4.583 1.00 0.00 O ATOM 59 CB ASP A 5 -11.659 -10.766 -6.467 1.00 0.00 C ATOM 60 CG ASP A 5 -10.701 -11.840 -6.983 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.522 -11.748 -6.683 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.161 -12.738 -7.669 1.00 0.00 O ATOM 0 H ASP A 5 -12.796 -8.900 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.261 -11.332 -4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.688 -11.121 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.593 -9.874 -7.090 1.00 0.00 H new ATOM 67 N GLN A 6 -9.872 -8.497 -5.403 1.00 0.00 N ATOM 68 CA GLN A 6 -8.564 -7.780 -5.397 1.00 0.00 C ATOM 69 C GLN A 6 -7.920 -7.907 -4.016 1.00 0.00 C ATOM 70 O GLN A 6 -6.717 -8.026 -3.887 1.00 0.00 O ATOM 71 CB GLN A 6 -8.790 -6.301 -5.718 1.00 0.00 C ATOM 72 CG GLN A 6 -7.460 -5.657 -6.117 1.00 0.00 C ATOM 73 CD GLN A 6 -7.295 -5.724 -7.636 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.228 -5.472 -8.372 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.138 -6.056 -8.140 1.00 0.00 N ATOM 0 H GLN A 6 -10.663 -7.956 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.907 -8.219 -6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.513 -6.200 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.209 -5.789 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.432 -4.620 -5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.633 -6.172 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.354 -6.268 -7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.017 -6.104 -9.152 1.00 0.00 H new ATOM 84 N GLN A 7 -8.715 -7.885 -2.983 1.00 0.00 N ATOM 85 CA GLN A 7 -8.160 -8.003 -1.605 1.00 0.00 C ATOM 86 C GLN A 7 -7.928 -9.485 -1.280 1.00 0.00 C ATOM 87 O GLN A 7 -7.090 -9.827 -0.470 1.00 0.00 O ATOM 88 CB GLN A 7 -9.161 -7.374 -0.619 1.00 0.00 C ATOM 89 CG GLN A 7 -9.149 -8.112 0.727 1.00 0.00 C ATOM 90 CD GLN A 7 -10.279 -9.145 0.752 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.782 -9.575 -0.375 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 -10.706 -9.568 1.808 1.00 0.00 N flip ATOM 0 H GLN A 7 -9.729 -7.790 -3.034 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.207 -7.480 -1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.912 -6.324 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.164 -7.405 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.188 -8.605 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.273 -7.402 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.314 -9.233 2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.457 -10.258 1.815 1.00 0.00 H new ATOM 101 N ALA A 8 -8.665 -10.364 -1.900 1.00 0.00 N ATOM 102 CA ALA A 8 -8.485 -11.817 -1.618 1.00 0.00 C ATOM 103 C ALA A 8 -7.297 -12.358 -2.419 1.00 0.00 C ATOM 104 O ALA A 8 -6.964 -13.523 -2.338 1.00 0.00 O ATOM 105 CB ALA A 8 -9.754 -12.573 -2.016 1.00 0.00 C ATOM 0 H ALA A 8 -9.383 -10.140 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.294 -11.956 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.624 -13.636 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.599 -12.193 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.944 -12.430 -3.080 1.00 0.00 H new ATOM 111 N GLU A 9 -6.656 -11.524 -3.191 1.00 0.00 N ATOM 112 CA GLU A 9 -5.492 -11.999 -3.992 1.00 0.00 C ATOM 113 C GLU A 9 -4.216 -11.897 -3.154 1.00 0.00 C ATOM 114 O GLU A 9 -3.558 -12.881 -2.884 1.00 0.00 O ATOM 115 CB GLU A 9 -5.348 -11.133 -5.245 1.00 0.00 C ATOM 116 CG GLU A 9 -6.177 -11.739 -6.379 1.00 0.00 C ATOM 117 CD GLU A 9 -5.517 -11.421 -7.723 1.00 0.00 C ATOM 118 OE1 GLU A 9 -4.944 -10.351 -7.842 1.00 0.00 O ATOM 119 OE2 GLU A 9 -5.598 -12.255 -8.610 1.00 0.00 O ATOM 0 H GLU A 9 -6.887 -10.537 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.653 -13.037 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.682 -10.116 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.300 -11.070 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.257 -12.818 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.191 -11.339 -6.356 1.00 0.00 H new ATOM 126 N ALA A 10 -3.859 -10.711 -2.745 1.00 0.00 N ATOM 127 CA ALA A 10 -2.625 -10.542 -1.930 1.00 0.00 C ATOM 128 C ALA A 10 -2.735 -11.369 -0.645 1.00 0.00 C ATOM 129 O ALA A 10 -1.791 -12.008 -0.224 1.00 0.00 O ATOM 130 CB ALA A 10 -2.456 -9.065 -1.572 1.00 0.00 C ATOM 0 H ALA A 10 -4.370 -9.850 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.763 -10.883 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.553 -8.936 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.374 -8.476 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.320 -8.728 -1.000 1.00 0.00 H new ATOM 136 N ARG A 11 -3.879 -11.358 -0.017 1.00 0.00 N ATOM 137 CA ARG A 11 -4.049 -12.138 1.242 1.00 0.00 C ATOM 138 C ARG A 11 -3.580 -13.580 1.028 1.00 0.00 C ATOM 139 O ARG A 11 -2.962 -14.175 1.887 1.00 0.00 O ATOM 140 CB ARG A 11 -5.524 -12.134 1.647 1.00 0.00 C ATOM 141 CG ARG A 11 -5.888 -10.773 2.246 1.00 0.00 C ATOM 142 CD ARG A 11 -6.535 -10.977 3.617 1.00 0.00 C ATOM 143 NE ARG A 11 -7.691 -11.907 3.487 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.997 -12.708 4.470 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.138 -12.235 5.678 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.166 -13.983 4.244 1.00 0.00 N ATOM 0 H ARG A 11 -4.704 -10.842 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.452 -11.682 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.150 -12.340 0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.715 -12.925 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.995 -10.155 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.573 -10.243 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.806 -11.382 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.868 -10.020 4.020 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.243 -11.918 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.009 -11.239 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.377 -12.862 6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.059 -14.352 3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.405 -14.610 5.012 1.00 0.00 H new ATOM 160 N ALA A 12 -3.873 -14.149 -0.109 1.00 0.00 N ATOM 161 CA ALA A 12 -3.445 -15.554 -0.372 1.00 0.00 C ATOM 162 C ALA A 12 -1.991 -15.741 0.067 1.00 0.00 C ATOM 163 O ALA A 12 -1.713 -16.310 1.103 1.00 0.00 O ATOM 164 CB ALA A 12 -3.568 -15.855 -1.867 1.00 0.00 C ATOM 0 H ALA A 12 -4.390 -13.703 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.083 -16.236 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.255 -16.881 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.604 -15.727 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.932 -15.171 -2.429 1.00 0.00 H new ATOM 170 N PHE A 13 -1.058 -15.271 -0.716 1.00 0.00 N ATOM 171 CA PHE A 13 0.378 -15.428 -0.344 1.00 0.00 C ATOM 172 C PHE A 13 0.597 -14.940 1.090 1.00 0.00 C ATOM 173 O PHE A 13 1.411 -15.472 1.819 1.00 0.00 O ATOM 174 CB PHE A 13 1.246 -14.603 -1.297 1.00 0.00 C ATOM 175 CG PHE A 13 2.678 -14.630 -0.820 1.00 0.00 C ATOM 176 CD1 PHE A 13 3.201 -15.793 -0.241 1.00 0.00 C ATOM 177 CD2 PHE A 13 3.484 -13.494 -0.955 1.00 0.00 C ATOM 178 CE1 PHE A 13 4.528 -15.821 0.201 1.00 0.00 C ATOM 179 CE2 PHE A 13 4.812 -13.521 -0.512 1.00 0.00 C ATOM 180 CZ PHE A 13 5.334 -14.685 0.065 1.00 0.00 C ATOM 0 H PHE A 13 -1.228 -14.785 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 13 0.654 -16.480 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.180 -15.006 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.884 -13.576 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.579 -16.670 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.082 -12.596 -1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.930 -16.719 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.434 -12.644 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.359 -14.706 0.405 1.00 0.00 H new ATOM 190 N LEU A 14 -0.117 -13.928 1.499 1.00 0.00 N ATOM 191 CA LEU A 14 0.056 -13.402 2.882 1.00 0.00 C ATOM 192 C LEU A 14 -0.794 -14.223 3.855 1.00 0.00 C ATOM 193 O LEU A 14 -1.875 -13.825 4.240 1.00 0.00 O ATOM 194 CB LEU A 14 -0.382 -11.938 2.927 1.00 0.00 C ATOM 195 CG LEU A 14 0.236 -11.188 1.745 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.664 -10.015 1.356 1.00 0.00 C ATOM 197 CD2 LEU A 14 1.616 -10.661 2.143 1.00 0.00 C ATOM 0 H LEU A 14 -0.814 -13.442 0.934 1.00 0.00 H new ATOM 0 HA LEU A 14 1.105 -13.477 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.469 -11.870 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.069 -11.482 3.866 1.00 0.00 H new ATOM 0 HG LEU A 14 0.335 -11.866 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.223 -9.482 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.648 -10.389 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.764 -9.337 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.058 -10.126 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.516 -9.984 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.259 -11.497 2.420 1.00 0.00 H new ATOM 209 N SER A 15 -0.312 -15.369 4.255 1.00 0.00 N ATOM 210 CA SER A 15 -1.090 -16.217 5.204 1.00 0.00 C ATOM 211 C SER A 15 -1.403 -15.415 6.469 1.00 0.00 C ATOM 212 O SER A 15 -1.191 -14.220 6.527 1.00 0.00 O ATOM 213 CB SER A 15 -0.268 -17.453 5.572 1.00 0.00 C ATOM 214 OG SER A 15 -1.146 -18.544 5.817 1.00 0.00 O ATOM 0 H SER A 15 0.587 -15.755 3.966 1.00 0.00 H new ATOM 0 HA SER A 15 -2.023 -16.527 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.421 -17.700 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.337 -17.252 6.456 1.00 0.00 H new ATOM 0 HG SER A 15 -0.623 -19.339 6.052 1.00 0.00 H new ATOM 220 N GLU A 16 -1.908 -16.063 7.483 1.00 0.00 N ATOM 221 CA GLU A 16 -2.239 -15.338 8.743 1.00 0.00 C ATOM 222 C GLU A 16 -0.948 -14.903 9.442 1.00 0.00 C ATOM 223 O GLU A 16 -0.941 -13.985 10.236 1.00 0.00 O ATOM 224 CB GLU A 16 -3.027 -16.268 9.668 1.00 0.00 C ATOM 225 CG GLU A 16 -3.905 -15.436 10.605 1.00 0.00 C ATOM 226 CD GLU A 16 -5.094 -16.277 11.071 1.00 0.00 C ATOM 227 OE1 GLU A 16 -4.915 -17.469 11.257 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.165 -15.715 11.237 1.00 0.00 O ATOM 0 H GLU A 16 -2.106 -17.064 7.494 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.837 -14.457 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.646 -16.945 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.342 -16.886 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.323 -15.102 11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.258 -14.542 10.091 1.00 0.00 H new ATOM 235 N GLU A 17 0.143 -15.558 9.155 1.00 0.00 N ATOM 236 CA GLU A 17 1.431 -15.187 9.806 1.00 0.00 C ATOM 237 C GLU A 17 1.895 -13.818 9.300 1.00 0.00 C ATOM 238 O GLU A 17 2.747 -13.186 9.891 1.00 0.00 O ATOM 239 CB GLU A 17 2.488 -16.241 9.467 1.00 0.00 C ATOM 240 CG GLU A 17 3.387 -16.473 10.682 1.00 0.00 C ATOM 241 CD GLU A 17 3.973 -17.885 10.620 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.871 -18.098 9.822 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.512 -18.729 11.370 1.00 0.00 O ATOM 0 H GLU A 17 0.198 -16.335 8.497 1.00 0.00 H new ATOM 0 HA GLU A 17 1.290 -15.139 10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.006 -17.174 9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.086 -15.912 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.189 -15.735 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.815 -16.345 11.601 1.00 0.00 H new ATOM 250 N MET A 18 1.350 -13.359 8.207 1.00 0.00 N ATOM 251 CA MET A 18 1.773 -12.034 7.667 1.00 0.00 C ATOM 252 C MET A 18 0.888 -10.923 8.244 1.00 0.00 C ATOM 253 O MET A 18 1.292 -10.193 9.126 1.00 0.00 O ATOM 254 CB MET A 18 1.652 -12.041 6.143 1.00 0.00 C ATOM 255 CG MET A 18 2.956 -11.527 5.530 1.00 0.00 C ATOM 256 SD MET A 18 3.948 -12.929 4.959 1.00 0.00 S ATOM 257 CE MET A 18 4.250 -12.326 3.280 1.00 0.00 C ATOM 0 H MET A 18 0.633 -13.841 7.666 1.00 0.00 H new ATOM 0 HA MET A 18 2.809 -11.849 7.952 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.443 -13.050 5.788 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.817 -11.414 5.830 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.740 -10.858 4.697 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.514 -10.949 6.267 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.254 -12.611 2.966 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.519 -12.763 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.159 -11.240 3.262 1.00 0.00 H new ATOM 267 N ILE A 19 -0.311 -10.786 7.744 1.00 0.00 N ATOM 268 CA ILE A 19 -1.223 -9.717 8.250 1.00 0.00 C ATOM 269 C ILE A 19 -1.118 -9.615 9.774 1.00 0.00 C ATOM 270 O ILE A 19 -1.334 -8.568 10.351 1.00 0.00 O ATOM 271 CB ILE A 19 -2.665 -10.057 7.866 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.719 -10.455 6.389 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.557 -8.837 8.095 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.927 -11.966 6.277 1.00 0.00 C ATOM 0 H ILE A 19 -0.700 -11.370 7.004 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.935 -8.764 7.806 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.017 -10.885 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.531 -9.927 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.794 -10.166 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.584 -9.080 7.821 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.520 -8.551 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.205 -8.008 7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.966 -12.251 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.100 -12.484 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.863 -12.241 6.762 1.00 0.00 H new ATOM 286 N ALA A 20 -0.795 -10.694 10.428 1.00 0.00 N ATOM 287 CA ALA A 20 -0.683 -10.660 11.914 1.00 0.00 C ATOM 288 C ALA A 20 0.195 -9.482 12.345 1.00 0.00 C ATOM 289 O ALA A 20 -0.288 -8.484 12.841 1.00 0.00 O ATOM 290 CB ALA A 20 -0.056 -11.966 12.406 1.00 0.00 C ATOM 0 H ALA A 20 -0.603 -11.599 9.999 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.677 -10.543 12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.027 -11.943 13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.683 -12.806 12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.936 -12.081 11.969 1.00 0.00 H new ATOM 296 N GLU A 21 1.485 -9.596 12.172 1.00 0.00 N ATOM 297 CA GLU A 21 2.397 -8.490 12.585 1.00 0.00 C ATOM 298 C GLU A 21 2.429 -7.401 11.510 1.00 0.00 C ATOM 299 O GLU A 21 3.053 -6.372 11.679 1.00 0.00 O ATOM 300 CB GLU A 21 3.809 -9.044 12.784 1.00 0.00 C ATOM 301 CG GLU A 21 3.885 -9.771 14.128 1.00 0.00 C ATOM 302 CD GLU A 21 5.151 -10.628 14.175 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.173 -10.116 14.602 1.00 0.00 O ATOM 304 OE2 GLU A 21 5.077 -11.781 13.785 1.00 0.00 O ATOM 0 H GLU A 21 1.947 -10.408 11.762 1.00 0.00 H new ATOM 0 HA GLU A 21 2.032 -8.060 13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.061 -9.728 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.537 -8.233 12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.892 -9.049 14.944 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.004 -10.398 14.265 1.00 0.00 H new ATOM 311 N PHE A 22 1.768 -7.614 10.406 1.00 0.00 N ATOM 312 CA PHE A 22 1.773 -6.582 9.332 1.00 0.00 C ATOM 313 C PHE A 22 0.943 -5.378 9.781 1.00 0.00 C ATOM 314 O PHE A 22 1.220 -4.251 9.418 1.00 0.00 O ATOM 315 CB PHE A 22 1.176 -7.165 8.050 1.00 0.00 C ATOM 316 CG PHE A 22 1.874 -6.560 6.855 1.00 0.00 C ATOM 317 CD1 PHE A 22 1.562 -5.258 6.448 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.836 -7.302 6.156 1.00 0.00 C ATOM 319 CE1 PHE A 22 2.211 -4.697 5.341 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.484 -6.739 5.051 1.00 0.00 C ATOM 321 CZ PHE A 22 3.171 -5.437 4.643 1.00 0.00 C ATOM 0 H PHE A 22 1.227 -8.454 10.202 1.00 0.00 H new ATOM 0 HA PHE A 22 2.799 -6.268 9.139 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.290 -8.249 8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.107 -6.957 8.005 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.821 -4.686 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.077 -8.307 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.970 -3.692 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.226 -7.309 4.512 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.671 -5.004 3.789 1.00 0.00 H new ATOM 331 N LYS A 23 -0.070 -5.603 10.571 1.00 0.00 N ATOM 332 CA LYS A 23 -0.911 -4.468 11.045 1.00 0.00 C ATOM 333 C LYS A 23 -0.114 -3.633 12.047 1.00 0.00 C ATOM 334 O LYS A 23 -0.461 -2.508 12.348 1.00 0.00 O ATOM 335 CB LYS A 23 -2.171 -5.012 11.722 1.00 0.00 C ATOM 336 CG LYS A 23 -1.799 -5.639 13.067 1.00 0.00 C ATOM 337 CD LYS A 23 -3.074 -6.058 13.803 1.00 0.00 C ATOM 338 CE LYS A 23 -2.848 -7.406 14.492 1.00 0.00 C ATOM 339 NZ LYS A 23 -4.090 -7.808 15.210 1.00 0.00 N ATOM 0 H LYS A 23 -0.352 -6.523 10.909 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.197 -3.847 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.892 -4.208 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.648 -5.754 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.155 -6.504 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.236 -4.926 13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.346 -5.302 14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.904 -6.132 13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.579 -8.163 13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.016 -7.334 15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.939 -8.724 15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.327 -7.089 15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.872 -7.892 14.530 1.00 0.00 H new ATOM 353 N ALA A 24 0.953 -4.174 12.565 1.00 0.00 N ATOM 354 CA ALA A 24 1.774 -3.414 13.548 1.00 0.00 C ATOM 355 C ALA A 24 2.654 -2.403 12.809 1.00 0.00 C ATOM 356 O ALA A 24 2.832 -1.284 13.247 1.00 0.00 O ATOM 357 CB ALA A 24 2.661 -4.385 14.328 1.00 0.00 C ATOM 0 H ALA A 24 1.293 -5.111 12.350 1.00 0.00 H new ATOM 0 HA ALA A 24 1.116 -2.886 14.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.263 -3.830 15.048 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.036 -5.105 14.856 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.318 -4.913 13.637 1.00 0.00 H new ATOM 363 N ALA A 25 3.209 -2.788 11.692 1.00 0.00 N ATOM 364 CA ALA A 25 4.078 -1.847 10.929 1.00 0.00 C ATOM 365 C ALA A 25 3.206 -0.812 10.215 1.00 0.00 C ATOM 366 O ALA A 25 3.547 0.352 10.134 1.00 0.00 O ATOM 367 CB ALA A 25 4.891 -2.629 9.896 1.00 0.00 C ATOM 0 H ALA A 25 3.098 -3.712 11.275 1.00 0.00 H new ATOM 0 HA ALA A 25 4.755 -1.339 11.616 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.527 -1.942 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.512 -3.366 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.214 -3.137 9.209 1.00 0.00 H new ATOM 373 N PHE A 26 2.084 -1.228 9.695 1.00 0.00 N ATOM 374 CA PHE A 26 1.190 -0.270 8.984 1.00 0.00 C ATOM 375 C PHE A 26 0.653 0.765 9.974 1.00 0.00 C ATOM 376 O PHE A 26 0.602 1.943 9.685 1.00 0.00 O ATOM 377 CB PHE A 26 0.018 -1.033 8.362 1.00 0.00 C ATOM 378 CG PHE A 26 -0.691 -0.148 7.365 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.335 1.018 7.799 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.703 -0.491 6.009 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.991 1.839 6.875 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.360 0.330 5.085 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.004 1.496 5.518 1.00 0.00 C ATOM 0 H PHE A 26 1.747 -2.190 9.732 1.00 0.00 H new ATOM 0 HA PHE A 26 1.754 0.237 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.379 -1.936 7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.676 -1.350 9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.325 1.283 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.205 -1.389 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.488 2.738 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.370 0.064 4.038 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.510 2.130 4.805 1.00 0.00 H new ATOM 393 N ASP A 27 0.249 0.334 11.136 1.00 0.00 N ATOM 394 CA ASP A 27 -0.289 1.296 12.140 1.00 0.00 C ATOM 395 C ASP A 27 0.851 2.144 12.706 1.00 0.00 C ATOM 396 O ASP A 27 0.635 3.043 13.494 1.00 0.00 O ATOM 397 CB ASP A 27 -0.962 0.524 13.275 1.00 0.00 C ATOM 398 CG ASP A 27 -2.464 0.428 13.006 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.927 1.092 12.093 1.00 0.00 O ATOM 400 OD2 ASP A 27 -3.127 -0.308 13.718 1.00 0.00 O ATOM 0 H ASP A 27 0.268 -0.641 11.435 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.018 1.948 11.659 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.532 -0.474 13.355 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.783 1.026 14.226 1.00 0.00 H new ATOM 405 N MET A 28 2.066 1.870 12.313 1.00 0.00 N ATOM 406 CA MET A 28 3.213 2.666 12.834 1.00 0.00 C ATOM 407 C MET A 28 2.851 4.153 12.806 1.00 0.00 C ATOM 408 O MET A 28 2.722 4.789 13.833 1.00 0.00 O ATOM 409 CB MET A 28 4.442 2.421 11.956 1.00 0.00 C ATOM 410 CG MET A 28 5.212 1.209 12.485 1.00 0.00 C ATOM 411 SD MET A 28 6.161 1.690 13.949 1.00 0.00 S ATOM 412 CE MET A 28 7.532 0.530 13.725 1.00 0.00 C ATOM 0 H MET A 28 2.313 1.131 11.655 1.00 0.00 H new ATOM 0 HA MET A 28 3.434 2.365 13.858 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.137 2.249 10.924 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.084 3.302 11.956 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.519 0.405 12.735 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.881 0.825 11.715 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.251 0.656 14.534 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.150 -0.491 13.735 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.021 0.725 12.771 1.00 0.00 H new ATOM 422 N PHE A 29 2.681 4.708 11.638 1.00 0.00 N ATOM 423 CA PHE A 29 2.322 6.152 11.544 1.00 0.00 C ATOM 424 C PHE A 29 0.831 6.322 11.840 1.00 0.00 C ATOM 425 O PHE A 29 0.438 6.624 12.949 1.00 0.00 O ATOM 426 CB PHE A 29 2.617 6.660 10.131 1.00 0.00 C ATOM 427 CG PHE A 29 3.839 7.546 10.153 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.109 6.984 10.324 1.00 0.00 C ATOM 429 CD2 PHE A 29 3.701 8.931 9.997 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.242 7.806 10.340 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.834 9.753 10.011 1.00 0.00 C ATOM 432 CZ PHE A 29 6.104 9.191 10.184 1.00 0.00 C ATOM 0 H PHE A 29 2.775 4.225 10.745 1.00 0.00 H new ATOM 0 HA PHE A 29 2.908 6.721 12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.779 5.818 9.458 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.761 7.215 9.748 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.215 5.916 10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.721 9.365 9.866 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.222 7.372 10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.728 10.821 9.888 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.978 9.825 10.197 1.00 0.00 H new ATOM 442 N ASP A 30 -0.001 6.127 10.854 1.00 0.00 N ATOM 443 CA ASP A 30 -1.468 6.274 11.073 1.00 0.00 C ATOM 444 C ASP A 30 -1.958 5.170 12.011 1.00 0.00 C ATOM 445 O ASP A 30 -2.156 4.042 11.607 1.00 0.00 O ATOM 446 CB ASP A 30 -2.195 6.162 9.732 1.00 0.00 C ATOM 447 CG ASP A 30 -2.437 7.561 9.162 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.472 8.191 8.763 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.583 7.979 9.134 1.00 0.00 O ATOM 0 H ASP A 30 0.272 5.872 9.905 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.673 7.247 11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.602 5.571 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.144 5.643 9.864 1.00 0.00 H new ATOM 454 N ALA A 31 -2.154 5.486 13.261 1.00 0.00 N ATOM 455 CA ALA A 31 -2.631 4.453 14.223 1.00 0.00 C ATOM 456 C ALA A 31 -4.034 4.818 14.707 1.00 0.00 C ATOM 457 O ALA A 31 -5.019 4.261 14.265 1.00 0.00 O ATOM 458 CB ALA A 31 -1.681 4.395 15.420 1.00 0.00 C ATOM 0 H ALA A 31 -2.005 6.414 13.658 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.656 3.481 13.730 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.029 3.640 16.124 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.679 4.137 15.077 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.657 5.367 15.913 1.00 0.00 H new ATOM 464 N ASP A 32 -4.135 5.752 15.613 1.00 0.00 N ATOM 465 CA ASP A 32 -5.476 6.152 16.123 1.00 0.00 C ATOM 466 C ASP A 32 -6.364 6.568 14.948 1.00 0.00 C ATOM 467 O ASP A 32 -7.573 6.622 15.061 1.00 0.00 O ATOM 468 CB ASP A 32 -5.325 7.328 17.089 1.00 0.00 C ATOM 469 CG ASP A 32 -5.441 6.825 18.529 1.00 0.00 C ATOM 470 OD1 ASP A 32 -5.019 5.709 18.781 1.00 0.00 O ATOM 471 OD2 ASP A 32 -5.950 7.566 19.354 1.00 0.00 O ATOM 0 H ASP A 32 -3.347 6.255 16.021 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.932 5.311 16.644 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.361 7.814 16.939 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.093 8.076 16.891 1.00 0.00 H new ATOM 476 N GLY A 33 -5.774 6.862 13.822 1.00 0.00 N ATOM 477 CA GLY A 33 -6.584 7.275 12.641 1.00 0.00 C ATOM 478 C GLY A 33 -7.444 6.101 12.173 1.00 0.00 C ATOM 479 O GLY A 33 -8.366 5.686 12.849 1.00 0.00 O ATOM 0 H GLY A 33 -4.766 6.834 13.669 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.218 8.123 12.901 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.928 7.603 11.834 1.00 0.00 H new ATOM 483 N GLY A 34 -7.153 5.560 11.022 1.00 0.00 N ATOM 484 CA GLY A 34 -7.959 4.412 10.512 1.00 0.00 C ATOM 485 C GLY A 34 -7.091 3.529 9.616 1.00 0.00 C ATOM 486 O GLY A 34 -7.587 2.716 8.860 1.00 0.00 O ATOM 0 H GLY A 34 -6.393 5.862 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.347 3.829 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.819 4.780 9.953 1.00 0.00 H new ATOM 490 N GLY A 35 -5.796 3.676 9.694 1.00 0.00 N ATOM 491 CA GLY A 35 -4.897 2.842 8.848 1.00 0.00 C ATOM 492 C GLY A 35 -5.034 3.255 7.381 1.00 0.00 C ATOM 493 O GLY A 35 -5.683 2.592 6.597 1.00 0.00 O ATOM 0 H GLY A 35 -5.322 4.338 10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.863 2.960 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.149 1.788 8.963 1.00 0.00 H new ATOM 497 N ASP A 36 -4.424 4.345 7.004 1.00 0.00 N ATOM 498 CA ASP A 36 -4.515 4.800 5.588 1.00 0.00 C ATOM 499 C ASP A 36 -3.214 5.507 5.206 1.00 0.00 C ATOM 500 O ASP A 36 -2.382 5.785 6.046 1.00 0.00 O ATOM 501 CB ASP A 36 -5.692 5.765 5.433 1.00 0.00 C ATOM 502 CG ASP A 36 -5.343 7.110 6.074 1.00 0.00 C ATOM 503 OD1 ASP A 36 -5.548 7.247 7.268 1.00 0.00 O ATOM 504 OD2 ASP A 36 -4.877 7.982 5.358 1.00 0.00 O ATOM 0 H ASP A 36 -3.866 4.941 7.616 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.670 3.941 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.925 5.904 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.582 5.347 5.903 1.00 0.00 H new ATOM 509 N ILE A 37 -3.025 5.800 3.948 1.00 0.00 N ATOM 510 CA ILE A 37 -1.769 6.486 3.532 1.00 0.00 C ATOM 511 C ILE A 37 -2.009 7.285 2.251 1.00 0.00 C ATOM 512 O ILE A 37 -2.715 6.857 1.360 1.00 0.00 O ATOM 513 CB ILE A 37 -0.672 5.449 3.273 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.912 4.209 4.139 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.689 6.052 3.619 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.081 3.114 3.745 1.00 0.00 C ATOM 0 H ILE A 37 -3.682 5.596 3.195 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.458 7.160 4.330 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.691 5.162 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.794 4.460 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.934 3.853 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.471 5.315 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.866 6.931 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.702 6.341 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.088 2.231 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.059 2.857 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.099 3.473 3.898 1.00 0.00 H new ATOM 528 N SER A 38 -1.412 8.440 2.149 1.00 0.00 N ATOM 529 CA SER A 38 -1.585 9.268 0.923 1.00 0.00 C ATOM 530 C SER A 38 -0.265 9.280 0.150 1.00 0.00 C ATOM 531 O SER A 38 0.789 9.046 0.705 1.00 0.00 O ATOM 532 CB SER A 38 -1.962 10.696 1.316 1.00 0.00 C ATOM 533 OG SER A 38 -1.010 11.194 2.247 1.00 0.00 O ATOM 0 H SER A 38 -0.810 8.847 2.864 1.00 0.00 H new ATOM 0 HA SER A 38 -2.377 8.850 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.991 11.333 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.960 10.713 1.754 1.00 0.00 H new ATOM 0 HG SER A 38 -1.248 12.110 2.500 1.00 0.00 H new ATOM 539 N THR A 39 -0.308 9.549 -1.127 1.00 0.00 N ATOM 540 CA THR A 39 0.956 9.569 -1.917 1.00 0.00 C ATOM 541 C THR A 39 1.999 10.419 -1.189 1.00 0.00 C ATOM 542 O THR A 39 3.187 10.267 -1.391 1.00 0.00 O ATOM 543 CB THR A 39 0.689 10.156 -3.302 1.00 0.00 C ATOM 544 OG1 THR A 39 1.915 10.251 -4.016 1.00 0.00 O ATOM 545 CG2 THR A 39 0.066 11.547 -3.162 1.00 0.00 C ATOM 0 H THR A 39 -1.157 9.754 -1.654 1.00 0.00 H new ATOM 0 HA THR A 39 1.331 8.551 -2.026 1.00 0.00 H new ATOM 0 HB THR A 39 -0.000 9.509 -3.845 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.131 9.381 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.123 11.962 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.874 11.471 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.750 12.199 -2.619 1.00 0.00 H new ATOM 553 N LYS A 40 1.565 11.310 -0.339 1.00 0.00 N ATOM 554 CA LYS A 40 2.535 12.163 0.405 1.00 0.00 C ATOM 555 C LYS A 40 3.380 11.280 1.324 1.00 0.00 C ATOM 556 O LYS A 40 4.574 11.146 1.146 1.00 0.00 O ATOM 557 CB LYS A 40 1.775 13.193 1.243 1.00 0.00 C ATOM 558 CG LYS A 40 2.582 14.490 1.309 1.00 0.00 C ATOM 559 CD LYS A 40 3.630 14.385 2.419 1.00 0.00 C ATOM 560 CE LYS A 40 2.939 14.439 3.783 1.00 0.00 C ATOM 561 NZ LYS A 40 2.825 15.859 4.226 1.00 0.00 N ATOM 0 H LYS A 40 0.582 11.484 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 40 3.182 12.682 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.795 13.383 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.605 12.806 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.069 14.677 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.919 15.334 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.188 13.454 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.350 15.199 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.950 13.986 3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.507 13.863 4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.355 15.897 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.775 16.276 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.265 16.395 3.532 1.00 0.00 H new ATOM 575 N GLU A 41 2.770 10.671 2.303 1.00 0.00 N ATOM 576 CA GLU A 41 3.540 9.792 3.226 1.00 0.00 C ATOM 577 C GLU A 41 4.062 8.582 2.449 1.00 0.00 C ATOM 578 O GLU A 41 4.911 7.848 2.915 1.00 0.00 O ATOM 579 CB GLU A 41 2.626 9.319 4.360 1.00 0.00 C ATOM 580 CG GLU A 41 2.587 10.381 5.461 1.00 0.00 C ATOM 581 CD GLU A 41 1.268 11.153 5.383 1.00 0.00 C ATOM 582 OE1 GLU A 41 1.134 11.969 4.486 1.00 0.00 O ATOM 583 OE2 GLU A 41 0.415 10.916 6.223 1.00 0.00 O ATOM 0 H GLU A 41 1.773 10.744 2.503 1.00 0.00 H new ATOM 0 HA GLU A 41 4.379 10.346 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.621 9.137 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.989 8.374 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.687 9.910 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.428 11.066 5.350 1.00 0.00 H new ATOM 590 N LEU A 42 3.559 8.372 1.263 1.00 0.00 N ATOM 591 CA LEU A 42 4.018 7.214 0.444 1.00 0.00 C ATOM 592 C LEU A 42 5.537 7.272 0.278 1.00 0.00 C ATOM 593 O LEU A 42 6.242 6.326 0.572 1.00 0.00 O ATOM 594 CB LEU A 42 3.365 7.285 -0.938 1.00 0.00 C ATOM 595 CG LEU A 42 2.366 6.140 -1.101 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.111 4.805 -1.089 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.361 6.175 0.051 1.00 0.00 C ATOM 0 H LEU A 42 2.847 8.955 0.824 1.00 0.00 H new ATOM 0 HA LEU A 42 3.739 6.286 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.858 8.242 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.128 7.226 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 42 1.838 6.250 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.398 3.989 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.827 4.781 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.640 4.692 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.648 5.359 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.889 6.065 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.829 7.126 0.041 1.00 0.00 H new ATOM 609 N GLY A 43 6.044 8.371 -0.206 1.00 0.00 N ATOM 610 CA GLY A 43 7.515 8.491 -0.408 1.00 0.00 C ATOM 611 C GLY A 43 8.139 9.302 0.731 1.00 0.00 C ATOM 612 O GLY A 43 9.325 9.251 0.954 1.00 0.00 O ATOM 0 H GLY A 43 5.502 9.193 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.966 7.500 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.720 8.974 -1.363 1.00 0.00 H new ATOM 616 N THR A 44 7.357 10.057 1.450 1.00 0.00 N ATOM 617 CA THR A 44 7.933 10.868 2.568 1.00 0.00 C ATOM 618 C THR A 44 8.555 9.943 3.625 1.00 0.00 C ATOM 619 O THR A 44 9.586 10.239 4.193 1.00 0.00 O ATOM 620 CB THR A 44 6.829 11.707 3.214 1.00 0.00 C ATOM 621 OG1 THR A 44 6.205 12.511 2.223 1.00 0.00 O ATOM 622 CG2 THR A 44 7.435 12.604 4.295 1.00 0.00 C ATOM 0 H THR A 44 6.350 10.150 1.317 1.00 0.00 H new ATOM 0 HA THR A 44 8.706 11.524 2.168 1.00 0.00 H new ATOM 0 HB THR A 44 6.088 11.047 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.708 11.938 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.648 13.202 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.913 11.986 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.177 13.265 3.846 1.00 0.00 H new ATOM 630 N VAL A 45 7.947 8.816 3.872 1.00 0.00 N ATOM 631 CA VAL A 45 8.499 7.855 4.860 1.00 0.00 C ATOM 632 C VAL A 45 9.382 6.900 4.087 1.00 0.00 C ATOM 633 O VAL A 45 10.471 6.552 4.498 1.00 0.00 O ATOM 634 CB VAL A 45 7.361 7.085 5.531 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.940 5.953 6.381 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.559 8.035 6.423 1.00 0.00 C ATOM 0 H VAL A 45 7.080 8.519 3.424 1.00 0.00 H new ATOM 0 HA VAL A 45 9.061 8.370 5.639 1.00 0.00 H new ATOM 0 HB VAL A 45 6.707 6.665 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.128 5.405 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.510 5.276 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.595 6.371 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.748 7.487 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.213 8.456 7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.144 8.840 5.817 1.00 0.00 H new ATOM 646 N MET A 46 8.920 6.507 2.934 1.00 0.00 N ATOM 647 CA MET A 46 9.724 5.611 2.081 1.00 0.00 C ATOM 648 C MET A 46 10.960 6.381 1.633 1.00 0.00 C ATOM 649 O MET A 46 11.885 5.819 1.092 1.00 0.00 O ATOM 650 CB MET A 46 8.906 5.190 0.858 1.00 0.00 C ATOM 651 CG MET A 46 9.446 3.866 0.313 1.00 0.00 C ATOM 652 SD MET A 46 8.118 2.980 -0.537 1.00 0.00 S ATOM 653 CE MET A 46 7.400 4.410 -1.384 1.00 0.00 C ATOM 0 H MET A 46 8.014 6.773 2.550 1.00 0.00 H new ATOM 0 HA MET A 46 10.011 4.715 2.632 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.856 5.082 1.129 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.959 5.961 0.089 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.271 4.052 -0.374 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.840 3.258 1.128 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.177 4.146 -2.418 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.481 4.708 -0.879 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.109 5.238 -1.365 1.00 0.00 H new ATOM 663 N ARG A 47 10.994 7.674 1.877 1.00 0.00 N ATOM 664 CA ARG A 47 12.188 8.460 1.479 1.00 0.00 C ATOM 665 C ARG A 47 13.385 7.764 2.049 1.00 0.00 C ATOM 666 O ARG A 47 14.478 7.851 1.526 1.00 0.00 O ATOM 667 CB ARG A 47 12.108 9.894 2.010 1.00 0.00 C ATOM 668 CG ARG A 47 13.462 10.593 1.825 1.00 0.00 C ATOM 669 CD ARG A 47 14.138 10.775 3.187 1.00 0.00 C ATOM 670 NE ARG A 47 15.243 11.767 3.063 1.00 0.00 N ATOM 671 CZ ARG A 47 16.462 11.362 2.826 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.677 10.142 2.420 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.464 12.181 2.995 1.00 0.00 N ATOM 0 H ARG A 47 10.250 8.205 2.330 1.00 0.00 H new ATOM 0 HA ARG A 47 12.251 8.523 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.329 10.444 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.833 9.886 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.100 10.003 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.320 11.562 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.410 11.115 3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.529 9.821 3.542 1.00 0.00 H new ATOM 0 HE ARG A 47 15.047 12.763 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.893 9.503 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.629 9.826 2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.295 13.136 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.417 11.866 2.810 1.00 0.00 H new ATOM 687 N MET A 48 13.184 7.022 3.096 1.00 0.00 N ATOM 688 CA MET A 48 14.331 6.269 3.648 1.00 0.00 C ATOM 689 C MET A 48 14.964 5.534 2.465 1.00 0.00 C ATOM 690 O MET A 48 16.082 5.800 2.071 1.00 0.00 O ATOM 691 CB MET A 48 13.845 5.263 4.693 1.00 0.00 C ATOM 692 CG MET A 48 14.412 5.635 6.064 1.00 0.00 C ATOM 693 SD MET A 48 13.767 7.250 6.565 1.00 0.00 S ATOM 694 CE MET A 48 13.844 6.984 8.352 1.00 0.00 C ATOM 0 H MET A 48 12.295 6.906 3.583 1.00 0.00 H new ATOM 0 HA MET A 48 15.046 6.931 4.136 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.756 5.257 4.728 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.161 4.257 4.418 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.139 4.878 6.800 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.501 5.663 6.024 1.00 0.00 H new ATOM 0 HE1 MET A 48 13.485 7.874 8.868 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.219 6.132 8.620 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.875 6.785 8.646 1.00 0.00 H new ATOM 704 N LEU A 49 14.227 4.629 1.880 1.00 0.00 N ATOM 705 CA LEU A 49 14.739 3.884 0.698 1.00 0.00 C ATOM 706 C LEU A 49 14.262 4.527 -0.626 1.00 0.00 C ATOM 707 O LEU A 49 14.347 3.903 -1.664 1.00 0.00 O ATOM 708 CB LEU A 49 14.244 2.437 0.764 1.00 0.00 C ATOM 709 CG LEU A 49 12.716 2.420 0.838 1.00 0.00 C ATOM 710 CD1 LEU A 49 12.162 1.571 -0.305 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.280 1.819 2.177 1.00 0.00 C ATOM 0 H LEU A 49 13.284 4.373 2.174 1.00 0.00 H new ATOM 0 HA LEU A 49 15.828 3.916 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.582 1.886 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.666 1.937 1.636 1.00 0.00 H new ATOM 0 HG LEU A 49 12.334 3.438 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.073 1.558 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.475 1.996 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.542 0.553 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.192 1.806 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.660 0.801 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.678 2.422 2.993 1.00 0.00 H new ATOM 723 N GLY A 50 13.754 5.748 -0.635 1.00 0.00 N ATOM 724 CA GLY A 50 13.295 6.321 -1.940 1.00 0.00 C ATOM 725 C GLY A 50 12.346 7.501 -1.708 1.00 0.00 C ATOM 726 O GLY A 50 11.342 7.385 -1.033 1.00 0.00 O ATOM 0 H GLY A 50 13.642 6.350 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.156 6.649 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.790 5.551 -2.524 1.00 0.00 H new ATOM 730 N GLN A 51 12.656 8.630 -2.289 1.00 0.00 N ATOM 731 CA GLN A 51 11.788 9.840 -2.135 1.00 0.00 C ATOM 732 C GLN A 51 12.402 11.029 -2.853 1.00 0.00 C ATOM 733 O GLN A 51 11.714 11.983 -3.145 1.00 0.00 O ATOM 734 CB GLN A 51 11.620 10.210 -0.697 1.00 0.00 C ATOM 735 CG GLN A 51 11.053 11.621 -0.597 1.00 0.00 C ATOM 736 CD GLN A 51 9.750 11.717 -1.390 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.082 10.631 -1.656 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 9.337 12.794 -1.773 1.00 0.00 N flip ATOM 0 H GLN A 51 13.482 8.769 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 51 10.818 9.593 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.953 9.503 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.579 10.155 -0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.873 11.876 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.776 12.341 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.860 13.644 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.467 12.848 -2.303 1.00 0.00 H new ATOM 747 N ASN A 52 13.676 10.967 -3.179 1.00 0.00 N ATOM 748 CA ASN A 52 14.309 12.072 -3.931 1.00 0.00 C ATOM 749 C ASN A 52 13.283 12.726 -4.864 1.00 0.00 C ATOM 750 O ASN A 52 13.271 13.935 -4.982 1.00 0.00 O ATOM 751 CB ASN A 52 15.482 11.531 -4.752 1.00 0.00 C ATOM 752 CG ASN A 52 16.794 12.071 -4.182 1.00 0.00 C ATOM 753 OD1 ASN A 52 16.932 13.258 -3.963 1.00 0.00 O ATOM 754 ND2 ASN A 52 17.771 11.243 -3.930 1.00 0.00 N ATOM 0 H ASN A 52 14.296 10.190 -2.950 1.00 0.00 H new ATOM 0 HA ASN A 52 14.675 12.818 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.484 10.441 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.377 11.828 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.650 11.593 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.655 10.246 -4.114 1.00 0.00 H new ATOM 761 N PRO A 53 12.412 11.939 -5.480 1.00 0.00 N ATOM 762 CA PRO A 53 11.373 12.517 -6.344 1.00 0.00 C ATOM 763 C PRO A 53 10.399 13.405 -5.557 1.00 0.00 C ATOM 764 O PRO A 53 10.424 13.463 -4.346 1.00 0.00 O ATOM 765 CB PRO A 53 10.685 11.300 -6.952 1.00 0.00 C ATOM 766 CG PRO A 53 11.017 10.098 -6.060 1.00 0.00 C ATOM 767 CD PRO A 53 12.349 10.437 -5.399 1.00 0.00 C ATOM 0 HA PRO A 53 11.784 13.181 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.607 11.454 -7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.033 11.131 -7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.239 9.936 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.092 9.183 -6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.384 10.089 -4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.185 9.972 -5.921 1.00 0.00 H new ATOM 775 N THR A 54 9.557 14.119 -6.256 1.00 0.00 N ATOM 776 CA THR A 54 8.591 15.035 -5.586 1.00 0.00 C ATOM 777 C THR A 54 7.433 14.253 -4.990 1.00 0.00 C ATOM 778 O THR A 54 7.087 13.179 -5.437 1.00 0.00 O ATOM 779 CB THR A 54 8.030 16.009 -6.620 1.00 0.00 C ATOM 780 OG1 THR A 54 9.096 16.562 -7.380 1.00 0.00 O ATOM 781 CG2 THR A 54 7.263 17.127 -5.920 1.00 0.00 C ATOM 0 H THR A 54 9.498 14.106 -7.274 1.00 0.00 H new ATOM 0 HA THR A 54 9.112 15.568 -4.791 1.00 0.00 H new ATOM 0 HB THR A 54 7.351 15.474 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.735 17.186 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.866 17.817 -6.664 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.441 16.700 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.934 17.663 -5.249 1.00 0.00 H new ATOM 789 N LYS A 55 6.816 14.809 -3.992 1.00 0.00 N ATOM 790 CA LYS A 55 5.659 14.139 -3.365 1.00 0.00 C ATOM 791 C LYS A 55 4.516 14.113 -4.363 1.00 0.00 C ATOM 792 O LYS A 55 3.661 13.250 -4.333 1.00 0.00 O ATOM 793 CB LYS A 55 5.235 14.939 -2.144 1.00 0.00 C ATOM 794 CG LYS A 55 4.590 16.256 -2.586 1.00 0.00 C ATOM 795 CD LYS A 55 4.088 17.014 -1.357 1.00 0.00 C ATOM 796 CE LYS A 55 2.573 16.838 -1.231 1.00 0.00 C ATOM 797 NZ LYS A 55 1.929 18.170 -1.064 1.00 0.00 N ATOM 0 H LYS A 55 7.069 15.708 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 55 5.921 13.123 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.531 14.361 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.100 15.141 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.313 16.863 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.763 16.058 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.584 16.642 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.336 18.072 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.179 16.341 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.340 16.200 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.900 18.050 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.297 18.628 -0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.140 18.764 -1.891 1.00 0.00 H new ATOM 811 N GLU A 56 4.498 15.058 -5.255 1.00 0.00 N ATOM 812 CA GLU A 56 3.418 15.092 -6.260 1.00 0.00 C ATOM 813 C GLU A 56 3.779 14.110 -7.365 1.00 0.00 C ATOM 814 O GLU A 56 2.924 13.537 -8.013 1.00 0.00 O ATOM 815 CB GLU A 56 3.276 16.507 -6.828 1.00 0.00 C ATOM 816 CG GLU A 56 4.471 16.825 -7.729 1.00 0.00 C ATOM 817 CD GLU A 56 4.023 16.817 -9.191 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.913 16.379 -9.446 1.00 0.00 O ATOM 819 OE2 GLU A 56 4.795 17.248 -10.030 1.00 0.00 O ATOM 0 H GLU A 56 5.187 15.807 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 56 2.466 14.814 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.349 16.590 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.218 17.231 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.886 17.799 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.261 16.090 -7.576 1.00 0.00 H new ATOM 826 N GLU A 57 5.051 13.892 -7.565 1.00 0.00 N ATOM 827 CA GLU A 57 5.483 12.924 -8.603 1.00 0.00 C ATOM 828 C GLU A 57 5.208 11.515 -8.083 1.00 0.00 C ATOM 829 O GLU A 57 5.142 10.561 -8.832 1.00 0.00 O ATOM 830 CB GLU A 57 6.981 13.087 -8.874 1.00 0.00 C ATOM 831 CG GLU A 57 7.297 12.602 -10.290 1.00 0.00 C ATOM 832 CD GLU A 57 7.557 13.807 -11.194 1.00 0.00 C ATOM 833 OE1 GLU A 57 6.902 14.820 -11.002 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.406 13.700 -12.062 1.00 0.00 O ATOM 0 H GLU A 57 5.807 14.345 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 57 4.938 13.100 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.270 14.132 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.558 12.517 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.170 11.949 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.465 12.014 -10.679 1.00 0.00 H new ATOM 841 N LEU A 58 5.037 11.387 -6.795 1.00 0.00 N ATOM 842 CA LEU A 58 4.753 10.056 -6.201 1.00 0.00 C ATOM 843 C LEU A 58 3.242 9.805 -6.237 1.00 0.00 C ATOM 844 O LEU A 58 2.766 8.759 -5.844 1.00 0.00 O ATOM 845 CB LEU A 58 5.249 10.042 -4.749 1.00 0.00 C ATOM 846 CG LEU A 58 6.721 9.596 -4.685 1.00 0.00 C ATOM 847 CD1 LEU A 58 6.786 8.069 -4.663 1.00 0.00 C ATOM 848 CD2 LEU A 58 7.493 10.117 -5.906 1.00 0.00 C ATOM 0 H LEU A 58 5.083 12.156 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 58 5.262 9.275 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.145 11.036 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.633 9.368 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 58 7.173 10.003 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.827 7.750 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.253 7.695 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.324 7.672 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.532 9.793 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.043 9.722 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.453 11.206 -5.924 1.00 0.00 H new ATOM 860 N ASP A 59 2.482 10.763 -6.707 1.00 0.00 N ATOM 861 CA ASP A 59 1.003 10.584 -6.770 1.00 0.00 C ATOM 862 C ASP A 59 0.636 9.674 -7.946 1.00 0.00 C ATOM 863 O ASP A 59 -0.241 8.840 -7.845 1.00 0.00 O ATOM 864 CB ASP A 59 0.333 11.948 -6.957 1.00 0.00 C ATOM 865 CG ASP A 59 -1.181 11.761 -7.075 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.617 10.621 -7.090 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.877 12.760 -7.149 1.00 0.00 O ATOM 0 H ASP A 59 2.824 11.661 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 59 0.659 10.128 -5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.565 12.598 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.721 12.436 -7.851 1.00 0.00 H new ATOM 872 N ALA A 60 1.296 9.828 -9.062 1.00 0.00 N ATOM 873 CA ALA A 60 0.976 8.969 -10.239 1.00 0.00 C ATOM 874 C ALA A 60 0.890 7.511 -9.794 1.00 0.00 C ATOM 875 O ALA A 60 -0.027 6.796 -10.146 1.00 0.00 O ATOM 876 CB ALA A 60 2.076 9.114 -11.294 1.00 0.00 C ATOM 0 H ALA A 60 2.041 10.509 -9.210 1.00 0.00 H new ATOM 0 HA ALA A 60 0.022 9.279 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.841 8.486 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.140 10.155 -11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.031 8.805 -10.869 1.00 0.00 H new ATOM 882 N ILE A 61 1.837 7.066 -9.016 1.00 0.00 N ATOM 883 CA ILE A 61 1.805 5.653 -8.542 1.00 0.00 C ATOM 884 C ILE A 61 0.603 5.478 -7.621 1.00 0.00 C ATOM 885 O ILE A 61 -0.039 4.447 -7.605 1.00 0.00 O ATOM 886 CB ILE A 61 3.086 5.334 -7.768 1.00 0.00 C ATOM 887 CG1 ILE A 61 4.244 6.136 -8.344 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.408 3.850 -7.880 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.553 7.284 -7.397 1.00 0.00 C ATOM 0 H ILE A 61 2.630 7.617 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 61 1.730 4.980 -9.396 1.00 0.00 H new ATOM 0 HB ILE A 61 2.938 5.596 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.121 5.500 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.986 6.518 -9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.321 3.633 -7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.585 3.267 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.548 3.586 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.382 7.870 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.673 7.920 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.826 6.886 -6.420 1.00 0.00 H new ATOM 901 N ILE A 62 0.291 6.486 -6.854 1.00 0.00 N ATOM 902 CA ILE A 62 -0.871 6.382 -5.938 1.00 0.00 C ATOM 903 C ILE A 62 -2.162 6.442 -6.765 1.00 0.00 C ATOM 904 O ILE A 62 -3.234 6.158 -6.273 1.00 0.00 O ATOM 905 CB ILE A 62 -0.811 7.528 -4.900 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.897 6.931 -3.493 1.00 0.00 C ATOM 907 CG2 ILE A 62 -1.965 8.526 -5.091 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.279 6.311 -3.283 1.00 0.00 C ATOM 0 H ILE A 62 0.792 7.374 -6.824 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.850 5.436 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 62 0.129 8.063 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.124 6.174 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.717 7.705 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.890 9.316 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.907 8.962 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.917 8.008 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.339 5.886 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.044 7.079 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.441 5.525 -4.020 1.00 0.00 H new ATOM 920 N GLU A 63 -2.064 6.816 -8.015 1.00 0.00 N ATOM 921 CA GLU A 63 -3.283 6.902 -8.873 1.00 0.00 C ATOM 922 C GLU A 63 -3.708 5.499 -9.313 1.00 0.00 C ATOM 923 O GLU A 63 -4.870 5.245 -9.559 1.00 0.00 O ATOM 924 CB GLU A 63 -2.979 7.749 -10.111 1.00 0.00 C ATOM 925 CG GLU A 63 -4.281 8.054 -10.856 1.00 0.00 C ATOM 926 CD GLU A 63 -4.001 9.033 -11.997 1.00 0.00 C ATOM 927 OE1 GLU A 63 -4.014 10.227 -11.744 1.00 0.00 O ATOM 928 OE2 GLU A 63 -3.782 8.574 -13.106 1.00 0.00 O ATOM 0 H GLU A 63 -1.191 7.066 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.090 7.362 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.490 8.678 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.289 7.218 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.711 7.133 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.014 8.479 -10.170 1.00 0.00 H new ATOM 935 N GLU A 64 -2.774 4.593 -9.421 1.00 0.00 N ATOM 936 CA GLU A 64 -3.116 3.203 -9.851 1.00 0.00 C ATOM 937 C GLU A 64 -4.432 2.768 -9.199 1.00 0.00 C ATOM 938 O GLU A 64 -5.181 1.984 -9.750 1.00 0.00 O ATOM 939 CB GLU A 64 -2.000 2.249 -9.424 1.00 0.00 C ATOM 940 CG GLU A 64 -1.824 2.316 -7.906 1.00 0.00 C ATOM 941 CD GLU A 64 -2.507 1.111 -7.259 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.341 0.506 -7.912 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.185 0.813 -6.121 1.00 0.00 O ATOM 0 H GLU A 64 -1.785 4.755 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.225 3.179 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.242 1.231 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.068 2.517 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.764 2.326 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.253 3.241 -7.520 1.00 0.00 H new ATOM 950 N VAL A 65 -4.718 3.270 -8.031 1.00 0.00 N ATOM 951 CA VAL A 65 -5.984 2.889 -7.340 1.00 0.00 C ATOM 952 C VAL A 65 -6.665 4.149 -6.795 1.00 0.00 C ATOM 953 O VAL A 65 -7.876 4.255 -6.777 1.00 0.00 O ATOM 954 CB VAL A 65 -5.664 1.929 -6.189 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.456 2.451 -5.408 1.00 0.00 C ATOM 956 CG2 VAL A 65 -6.870 1.824 -5.251 1.00 0.00 C ATOM 0 H VAL A 65 -4.129 3.930 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.654 2.396 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.437 0.944 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.229 1.768 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.595 2.520 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.682 3.438 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.637 1.140 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.102 2.809 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.730 1.448 -5.805 1.00 0.00 H new ATOM 966 N ASP A 66 -5.894 5.103 -6.350 1.00 0.00 N ATOM 967 CA ASP A 66 -6.486 6.358 -5.805 1.00 0.00 C ATOM 968 C ASP A 66 -7.368 7.015 -6.878 1.00 0.00 C ATOM 969 O ASP A 66 -8.457 6.554 -7.157 1.00 0.00 O ATOM 970 CB ASP A 66 -5.353 7.305 -5.387 1.00 0.00 C ATOM 971 CG ASP A 66 -5.931 8.567 -4.741 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.787 9.187 -5.350 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.506 8.893 -3.646 1.00 0.00 O ATOM 0 H ASP A 66 -4.875 5.067 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.103 6.135 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.688 6.801 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.754 7.574 -6.257 1.00 0.00 H new ATOM 978 N GLU A 67 -6.919 8.087 -7.478 1.00 0.00 N ATOM 979 CA GLU A 67 -7.743 8.759 -8.521 1.00 0.00 C ATOM 980 C GLU A 67 -6.990 9.986 -9.035 1.00 0.00 C ATOM 981 O GLU A 67 -6.497 10.008 -10.145 1.00 0.00 O ATOM 982 CB GLU A 67 -9.078 9.198 -7.913 1.00 0.00 C ATOM 983 CG GLU A 67 -10.212 8.357 -8.500 1.00 0.00 C ATOM 984 CD GLU A 67 -11.048 9.216 -9.450 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.516 10.186 -9.964 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.207 8.889 -9.648 1.00 0.00 O ATOM 0 H GLU A 67 -6.017 8.524 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.931 8.069 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.050 9.083 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.252 10.254 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.803 7.499 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.840 7.965 -7.700 1.00 0.00 H new ATOM 993 N ASP A 68 -6.895 11.007 -8.227 1.00 0.00 N ATOM 994 CA ASP A 68 -6.171 12.237 -8.656 1.00 0.00 C ATOM 995 C ASP A 68 -5.609 12.952 -7.424 1.00 0.00 C ATOM 996 O ASP A 68 -5.261 14.115 -7.475 1.00 0.00 O ATOM 997 CB ASP A 68 -7.136 13.169 -9.393 1.00 0.00 C ATOM 998 CG ASP A 68 -6.727 13.268 -10.865 1.00 0.00 C ATOM 999 OD1 ASP A 68 -5.543 13.417 -11.121 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -7.604 13.194 -11.709 1.00 0.00 O ATOM 0 H ASP A 68 -7.288 11.042 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.353 11.964 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.155 12.792 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.125 14.158 -8.934 1.00 0.00 H new ATOM 1005 N GLY A 69 -5.514 12.265 -6.316 1.00 0.00 N ATOM 1006 CA GLY A 69 -4.969 12.906 -5.083 1.00 0.00 C ATOM 1007 C GLY A 69 -6.018 12.867 -3.968 1.00 0.00 C ATOM 1008 O GLY A 69 -6.453 13.890 -3.479 1.00 0.00 O ATOM 0 H GLY A 69 -5.790 11.289 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.065 12.388 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.687 13.938 -5.293 1.00 0.00 H new ATOM 1012 N SER A 70 -6.421 11.693 -3.560 1.00 0.00 N ATOM 1013 CA SER A 70 -7.435 11.579 -2.474 1.00 0.00 C ATOM 1014 C SER A 70 -7.642 10.102 -2.143 1.00 0.00 C ATOM 1015 O SER A 70 -7.398 9.663 -1.037 1.00 0.00 O ATOM 1016 CB SER A 70 -8.761 12.181 -2.939 1.00 0.00 C ATOM 1017 OG SER A 70 -8.677 13.599 -2.904 1.00 0.00 O ATOM 0 H SER A 70 -6.089 10.804 -3.935 1.00 0.00 H new ATOM 0 HA SER A 70 -7.086 12.116 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.990 11.845 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.573 11.838 -2.297 1.00 0.00 H new ATOM 0 HG SER A 70 -7.750 13.868 -2.732 1.00 0.00 H new ATOM 1023 N GLY A 71 -8.090 9.332 -3.099 1.00 0.00 N ATOM 1024 CA GLY A 71 -8.314 7.880 -2.852 1.00 0.00 C ATOM 1025 C GLY A 71 -7.060 7.268 -2.240 1.00 0.00 C ATOM 1026 O GLY A 71 -6.184 6.787 -2.931 1.00 0.00 O ATOM 0 H GLY A 71 -8.311 9.649 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.163 7.741 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.559 7.375 -3.786 1.00 0.00 H new ATOM 1030 N THR A 72 -6.964 7.284 -0.946 1.00 0.00 N ATOM 1031 CA THR A 72 -5.764 6.714 -0.288 1.00 0.00 C ATOM 1032 C THR A 72 -5.865 5.201 -0.234 1.00 0.00 C ATOM 1033 O THR A 72 -6.778 4.607 -0.773 1.00 0.00 O ATOM 1034 CB THR A 72 -5.663 7.254 1.130 1.00 0.00 C ATOM 1035 OG1 THR A 72 -6.957 7.610 1.598 1.00 0.00 O ATOM 1036 CG2 THR A 72 -4.766 8.474 1.113 1.00 0.00 C ATOM 0 H THR A 72 -7.666 7.668 -0.314 1.00 0.00 H new ATOM 0 HA THR A 72 -4.880 6.995 -0.860 1.00 0.00 H new ATOM 0 HB THR A 72 -5.247 6.496 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.890 7.956 2.512 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.681 8.877 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.777 8.194 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.193 9.231 0.455 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.932 4.569 0.414 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.981 3.093 0.496 1.00 0.00 C ATOM 1046 C ILE A 73 -5.148 2.662 1.951 1.00 0.00 C ATOM 1047 O ILE A 73 -4.555 3.227 2.849 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.690 2.487 -0.066 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -3.047 3.456 -1.062 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.013 1.173 -0.778 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -4.058 3.824 -2.148 1.00 0.00 C ATOM 0 H ILE A 73 -4.143 5.010 0.887 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.828 2.739 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.997 2.302 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.711 4.355 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.166 2.999 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.096 0.741 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.463 0.477 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.710 1.363 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.597 4.514 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.372 2.922 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.926 4.299 -1.691 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.945 1.659 2.191 1.00 0.00 N ATOM 1064 CA ASP A 74 -6.142 1.186 3.587 1.00 0.00 C ATOM 1065 C ASP A 74 -5.002 0.234 3.953 1.00 0.00 C ATOM 1066 O ASP A 74 -3.914 0.325 3.421 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.479 0.450 3.695 1.00 0.00 C ATOM 1068 CG ASP A 74 -8.575 1.284 3.030 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -8.360 2.471 2.846 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -9.611 0.723 2.717 1.00 0.00 O ATOM 0 H ASP A 74 -6.468 1.147 1.480 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.146 2.037 4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.409 -0.526 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.726 0.274 4.742 1.00 0.00 H new ATOM 1075 N PHE A 75 -5.239 -0.680 4.851 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.162 -1.634 5.237 1.00 0.00 C ATOM 1077 C PHE A 75 -4.238 -2.870 4.329 1.00 0.00 C ATOM 1078 O PHE A 75 -3.259 -3.555 4.110 1.00 0.00 O ATOM 1079 CB PHE A 75 -4.329 -2.014 6.725 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.825 -3.438 6.880 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.172 -3.741 6.653 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.931 -4.449 7.249 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.626 -5.058 6.795 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.384 -5.766 7.391 1.00 0.00 C ATOM 1085 CZ PHE A 75 -5.732 -6.070 7.164 1.00 0.00 C ATOM 0 H PHE A 75 -6.129 -0.808 5.333 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.181 -1.177 5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.375 -1.901 7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.031 -1.329 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.861 -2.960 6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.892 -4.213 7.424 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.665 -5.293 6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.694 -6.547 7.675 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.082 -7.086 7.274 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.399 -3.155 3.805 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.547 -4.343 2.917 1.00 0.00 C ATOM 1097 C GLU A 76 -5.251 -3.940 1.471 1.00 0.00 C ATOM 1098 O GLU A 76 -4.587 -4.650 0.742 1.00 0.00 O ATOM 1099 CB GLU A 76 -6.979 -4.870 3.013 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.092 -6.187 2.242 1.00 0.00 C ATOM 1101 CD GLU A 76 -7.390 -7.325 3.218 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -8.553 -7.527 3.525 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.450 -7.975 3.644 1.00 0.00 O ATOM 0 H GLU A 76 -6.252 -2.616 3.954 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.848 -5.120 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.252 -5.023 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.675 -4.137 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.883 -6.117 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.165 -6.387 1.705 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.742 -2.808 1.050 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.491 -2.363 -0.349 1.00 0.00 C ATOM 1112 C GLU A 77 -4.015 -1.993 -0.509 1.00 0.00 C ATOM 1113 O GLU A 77 -3.479 -1.993 -1.597 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.363 -1.144 -0.659 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.825 -1.472 -0.346 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.738 -0.718 -1.316 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -8.860 -1.159 -2.446 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.299 0.287 -0.910 1.00 0.00 O ATOM 0 H GLU A 77 -6.306 -2.172 1.614 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.738 -3.170 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.036 -0.289 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.258 -0.865 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.994 -2.545 -0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.059 -1.193 0.681 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.352 -1.676 0.568 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.912 -1.308 0.475 1.00 0.00 C ATOM 1127 C PHE A 78 -1.088 -2.554 0.139 1.00 0.00 C ATOM 1128 O PHE A 78 0.039 -2.462 -0.305 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.452 -0.733 1.817 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.066 -0.152 1.678 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.288 0.555 0.522 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.866 -0.319 2.710 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.574 1.094 0.399 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.151 0.222 2.586 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.505 0.928 1.430 1.00 0.00 C ATOM 0 H PHE A 78 -3.745 -1.656 1.509 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.772 -0.563 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.147 0.038 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.454 -1.514 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.431 0.684 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.593 -0.865 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.848 1.639 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.870 0.095 3.382 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.497 1.344 1.334 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.640 -3.717 0.349 1.00 0.00 N ATOM 1146 CA LEU A 79 -0.888 -4.967 0.044 1.00 0.00 C ATOM 1147 C LEU A 79 -1.163 -5.404 -1.399 1.00 0.00 C ATOM 1148 O LEU A 79 -0.272 -5.824 -2.109 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.333 -6.077 0.999 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.525 -5.500 2.402 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.323 -6.489 3.255 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.157 -5.263 3.045 1.00 0.00 C ATOM 0 H LEU A 79 -2.580 -3.856 0.719 1.00 0.00 H new ATOM 0 HA LEU A 79 0.179 -4.779 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.264 -6.522 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.588 -6.872 1.021 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.066 -4.556 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.460 -6.078 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.297 -6.662 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.781 -7.432 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.292 -4.852 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.383 -6.208 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.414 -4.561 2.438 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.391 -5.319 -1.832 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.725 -5.744 -3.225 1.00 0.00 C ATOM 1166 C VAL A 80 -1.780 -5.069 -4.224 1.00 0.00 C ATOM 1167 O VAL A 80 -1.331 -5.677 -5.175 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.179 -5.365 -3.545 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -5.060 -5.638 -2.324 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.268 -3.879 -3.906 1.00 0.00 C ATOM 0 H VAL A 80 -3.179 -4.974 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.607 -6.825 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.522 -5.962 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.091 -5.369 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.009 -6.696 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.708 -5.044 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.303 -3.621 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.919 -3.279 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.646 -3.679 -4.778 1.00 0.00 H new ATOM 1180 N MET A 81 -1.482 -3.817 -4.024 1.00 0.00 N ATOM 1181 CA MET A 81 -0.577 -3.105 -4.970 1.00 0.00 C ATOM 1182 C MET A 81 0.837 -3.686 -4.877 1.00 0.00 C ATOM 1183 O MET A 81 1.571 -3.710 -5.845 1.00 0.00 O ATOM 1184 CB MET A 81 -0.543 -1.614 -4.624 1.00 0.00 C ATOM 1185 CG MET A 81 -0.311 -1.436 -3.122 1.00 0.00 C ATOM 1186 SD MET A 81 -0.068 0.319 -2.755 1.00 0.00 S ATOM 1187 CE MET A 81 1.720 0.243 -2.496 1.00 0.00 C ATOM 0 H MET A 81 -1.826 -3.254 -3.246 1.00 0.00 H new ATOM 0 HA MET A 81 -0.950 -3.234 -5.986 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.250 -1.119 -5.185 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.482 -1.142 -4.915 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.164 -1.821 -2.563 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.561 -2.009 -2.807 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.108 1.249 -2.340 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.935 -0.369 -1.620 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.196 -0.197 -3.372 1.00 0.00 H new ATOM 1197 N MET A 82 1.228 -4.154 -3.724 1.00 0.00 N ATOM 1198 CA MET A 82 2.596 -4.728 -3.580 1.00 0.00 C ATOM 1199 C MET A 82 2.642 -6.115 -4.230 1.00 0.00 C ATOM 1200 O MET A 82 3.336 -6.331 -5.205 1.00 0.00 O ATOM 1201 CB MET A 82 2.945 -4.847 -2.094 1.00 0.00 C ATOM 1202 CG MET A 82 4.066 -3.862 -1.756 1.00 0.00 C ATOM 1203 SD MET A 82 4.300 -3.802 0.038 1.00 0.00 S ATOM 1204 CE MET A 82 5.890 -2.939 0.029 1.00 0.00 C ATOM 0 H MET A 82 0.661 -4.164 -2.876 1.00 0.00 H new ATOM 0 HA MET A 82 3.317 -4.075 -4.072 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.066 -4.638 -1.485 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.258 -5.865 -1.863 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.992 -4.167 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.819 -2.870 -2.134 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.230 -2.793 1.054 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.624 -3.534 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.775 -1.970 -0.457 1.00 0.00 H new ATOM 1214 N VAL A 83 1.913 -7.057 -3.697 1.00 0.00 N ATOM 1215 CA VAL A 83 1.918 -8.428 -4.281 1.00 0.00 C ATOM 1216 C VAL A 83 1.649 -8.352 -5.786 1.00 0.00 C ATOM 1217 O VAL A 83 2.001 -9.242 -6.533 1.00 0.00 O ATOM 1218 CB VAL A 83 0.832 -9.273 -3.611 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.958 -10.726 -4.074 1.00 0.00 C ATOM 1220 CG2 VAL A 83 1.006 -9.208 -2.091 1.00 0.00 C ATOM 0 H VAL A 83 1.313 -6.936 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 83 2.893 -8.886 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.150 -8.888 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.185 -11.328 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.840 -10.775 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.940 -11.112 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.234 -9.809 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.988 -9.595 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.920 -8.173 -1.759 1.00 0.00 H new ATOM 1230 N ARG A 84 1.031 -7.296 -6.239 1.00 0.00 N ATOM 1231 CA ARG A 84 0.746 -7.172 -7.697 1.00 0.00 C ATOM 1232 C ARG A 84 2.014 -7.497 -8.490 1.00 0.00 C ATOM 1233 O ARG A 84 2.251 -8.630 -8.861 1.00 0.00 O ATOM 1234 CB ARG A 84 0.295 -5.743 -8.012 1.00 0.00 C ATOM 1235 CG ARG A 84 -1.211 -5.731 -8.283 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.655 -4.312 -8.644 1.00 0.00 C ATOM 1237 NE ARG A 84 -2.259 -4.312 -10.006 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.704 -5.003 -10.964 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -0.407 -4.997 -11.104 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -2.446 -5.699 -11.781 1.00 0.00 N ATOM 0 H ARG A 84 0.712 -6.516 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.046 -7.868 -7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.530 -5.084 -7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.834 -5.363 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.450 -6.416 -9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.752 -6.080 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.378 -3.949 -7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.802 -3.634 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.105 -3.773 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.172 -4.453 -10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.028 -5.537 -11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.460 -5.703 -11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.012 -6.239 -12.530 1.00 0.00 H new ATOM 1254 N GLN A 85 2.833 -6.516 -8.748 1.00 0.00 N ATOM 1255 CA GLN A 85 4.087 -6.771 -9.514 1.00 0.00 C ATOM 1256 C GLN A 85 5.060 -7.569 -8.640 1.00 0.00 C ATOM 1257 O GLN A 85 5.767 -7.018 -7.821 1.00 0.00 O ATOM 1258 CB GLN A 85 4.726 -5.437 -9.905 1.00 0.00 C ATOM 1259 CG GLN A 85 5.012 -5.427 -11.407 1.00 0.00 C ATOM 1260 CD GLN A 85 3.774 -4.935 -12.160 1.00 0.00 C ATOM 1261 OE1 GLN A 85 2.687 -4.915 -11.617 1.00 0.00 O ATOM 1262 NE2 GLN A 85 3.893 -4.536 -13.397 1.00 0.00 N ATOM 0 H GLN A 85 2.689 -5.548 -8.462 1.00 0.00 H new ATOM 0 HA GLN A 85 3.856 -7.339 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.061 -4.613 -9.646 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.651 -5.288 -9.347 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.862 -4.780 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.281 -6.428 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.805 -4.553 -13.853 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.074 -4.207 -13.908 1.00 0.00 H new