USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 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 1 GLY N :NH3+ 137:sc= 0.0206 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.694 USER MOD Single : A 5 SER OG : rot 15:sc= 1.28 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -110:sc=-0.00683 (180deg=-0.201) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 16 TYR OH : rot 149:sc= 1.1 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.055) USER MOD Single : A 35 MET CE :methyl -157:sc= -1.95 (180deg=-2.87!) USER MOD Single : A 36 GLN : amide:sc= -3.38! C(o=-3.4!,f=-9!) USER MOD Single : A 37 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.8!) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00897 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 59 ASN : amide:sc= -3.85! C(o=-3.8!,f=-3.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 31:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.710 -6.617 19.842 1.00 0.00 N ATOM 2 CA GLY A 1 -15.083 -7.564 18.938 1.00 0.00 C ATOM 3 C GLY A 1 -16.048 -8.104 17.902 1.00 0.00 C ATOM 4 O GLY A 1 -17.237 -8.270 18.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.399 -6.809 20.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.437 -5.650 19.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.744 -6.713 19.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.247 -7.080 18.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.672 -8.393 19.514 1.00 0.00 H new ATOM 8 N SER A 2 -15.538 -8.377 16.705 1.00 0.00 N ATOM 9 CA SER A 2 -16.365 -8.897 15.622 1.00 0.00 C ATOM 10 C SER A 2 -15.746 -10.155 15.021 1.00 0.00 C ATOM 11 O SER A 2 -14.525 -10.313 15.008 1.00 0.00 O ATOM 12 CB SER A 2 -16.546 -7.834 14.536 1.00 0.00 C ATOM 13 OG SER A 2 -15.295 -7.413 14.021 1.00 0.00 O ATOM 0 H SER A 2 -14.556 -8.247 16.461 1.00 0.00 H new ATOM 0 HA SER A 2 -17.340 -9.155 16.034 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.159 -8.235 13.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.081 -6.977 14.947 1.00 0.00 H new ATOM 0 HG SER A 2 -15.438 -6.735 13.328 1.00 0.00 H new ATOM 19 N SER A 3 -16.597 -11.046 14.524 1.00 0.00 N ATOM 20 CA SER A 3 -16.135 -12.293 13.925 1.00 0.00 C ATOM 21 C SER A 3 -15.695 -12.070 12.481 1.00 0.00 C ATOM 22 O SER A 3 -15.973 -12.886 11.603 1.00 0.00 O ATOM 23 CB SER A 3 -17.241 -13.349 13.976 1.00 0.00 C ATOM 24 OG SER A 3 -16.776 -14.597 13.493 1.00 0.00 O ATOM 0 H SER A 3 -17.610 -10.928 14.524 1.00 0.00 H new ATOM 0 HA SER A 3 -15.278 -12.648 14.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.594 -13.461 15.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.092 -13.019 13.380 1.00 0.00 H new ATOM 0 HG SER A 3 -16.430 -14.487 12.583 1.00 0.00 H new ATOM 30 N GLY A 4 -15.006 -10.958 12.243 1.00 0.00 N ATOM 31 CA GLY A 4 -14.538 -10.648 10.905 1.00 0.00 C ATOM 32 C GLY A 4 -13.336 -9.724 10.911 1.00 0.00 C ATOM 33 O GLY A 4 -12.539 -9.738 11.848 1.00 0.00 O ATOM 0 H GLY A 4 -14.764 -10.267 12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.279 -11.573 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.346 -10.184 10.339 1.00 0.00 H new ATOM 37 N SER A 5 -13.204 -8.920 9.860 1.00 0.00 N ATOM 38 CA SER A 5 -12.087 -7.990 9.745 1.00 0.00 C ATOM 39 C SER A 5 -12.315 -7.006 8.602 1.00 0.00 C ATOM 40 O SER A 5 -13.261 -7.146 7.827 1.00 0.00 O ATOM 41 CB SER A 5 -10.780 -8.754 9.522 1.00 0.00 C ATOM 42 OG SER A 5 -10.262 -9.246 10.746 1.00 0.00 O ATOM 0 H SER A 5 -13.857 -8.894 9.077 1.00 0.00 H new ATOM 0 HA SER A 5 -12.017 -7.428 10.677 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.953 -9.584 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.048 -8.098 9.051 1.00 0.00 H new ATOM 0 HG SER A 5 -10.955 -9.198 11.437 1.00 0.00 H new ATOM 48 N SER A 6 -11.442 -6.009 8.505 1.00 0.00 N ATOM 49 CA SER A 6 -11.549 -4.998 7.460 1.00 0.00 C ATOM 50 C SER A 6 -10.175 -4.655 6.892 1.00 0.00 C ATOM 51 O SER A 6 -9.294 -4.184 7.611 1.00 0.00 O ATOM 52 CB SER A 6 -12.216 -3.735 8.009 1.00 0.00 C ATOM 53 OG SER A 6 -13.409 -4.050 8.705 1.00 0.00 O ATOM 0 H SER A 6 -10.652 -5.880 9.138 1.00 0.00 H new ATOM 0 HA SER A 6 -12.163 -5.405 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.527 -3.217 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.439 -3.052 7.189 1.00 0.00 H new ATOM 0 HG SER A 6 -13.815 -3.226 9.047 1.00 0.00 H new ATOM 59 N GLY A 7 -10.000 -4.895 5.596 1.00 0.00 N ATOM 60 CA GLY A 7 -8.731 -4.606 4.953 1.00 0.00 C ATOM 61 C GLY A 7 -7.782 -5.787 4.988 1.00 0.00 C ATOM 62 O GLY A 7 -7.534 -6.365 6.047 1.00 0.00 O ATOM 0 H GLY A 7 -10.714 -5.284 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.909 -4.318 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.263 -3.753 5.445 1.00 0.00 H new ATOM 66 N THR A 8 -7.248 -6.151 3.826 1.00 0.00 N ATOM 67 CA THR A 8 -6.323 -7.272 3.727 1.00 0.00 C ATOM 68 C THR A 8 -4.899 -6.842 4.061 1.00 0.00 C ATOM 69 O THR A 8 -4.439 -5.771 3.663 1.00 0.00 O ATOM 70 CB THR A 8 -6.341 -7.893 2.317 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.648 -8.400 2.023 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.319 -9.014 2.206 1.00 0.00 C ATOM 0 H THR A 8 -7.441 -5.685 2.940 1.00 0.00 H new ATOM 0 HA THR A 8 -6.654 -8.018 4.450 1.00 0.00 H new ATOM 0 HB THR A 8 -6.083 -7.116 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.653 -8.792 1.125 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.350 -9.437 1.202 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.322 -8.619 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.551 -9.791 2.934 1.00 0.00 H new ATOM 80 N PRO A 9 -4.183 -7.694 4.809 1.00 0.00 N ATOM 81 CA PRO A 9 -2.800 -7.423 5.213 1.00 0.00 C ATOM 82 C PRO A 9 -1.830 -7.486 4.038 1.00 0.00 C ATOM 83 O PRO A 9 -1.952 -8.347 3.166 1.00 0.00 O ATOM 84 CB PRO A 9 -2.498 -8.539 6.216 1.00 0.00 C ATOM 85 CG PRO A 9 -3.420 -9.646 5.839 1.00 0.00 C ATOM 86 CD PRO A 9 -4.668 -8.987 5.319 1.00 0.00 C ATOM 0 HA PRO A 9 -2.685 -6.420 5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.456 -8.854 6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.673 -8.209 7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.971 -10.286 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.642 -10.279 6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.137 -9.579 4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.411 -8.856 6.106 1.00 0.00 H new ATOM 94 N TYR A 10 -0.868 -6.570 4.020 1.00 0.00 N ATOM 95 CA TYR A 10 0.121 -6.521 2.950 1.00 0.00 C ATOM 96 C TYR A 10 1.517 -6.267 3.511 1.00 0.00 C ATOM 97 O TYR A 10 1.693 -6.102 4.718 1.00 0.00 O ATOM 98 CB TYR A 10 -0.242 -5.430 1.941 1.00 0.00 C ATOM 99 CG TYR A 10 -1.133 -5.915 0.820 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.462 -6.244 1.056 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.646 -6.044 -0.475 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.280 -6.688 0.035 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.457 -6.486 -1.502 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.773 -6.806 -1.242 1.00 0.00 C ATOM 105 OH TYR A 10 -3.584 -7.248 -2.262 1.00 0.00 O ATOM 0 H TYR A 10 -0.752 -5.851 4.734 1.00 0.00 H new ATOM 0 HA TYR A 10 0.122 -7.487 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.742 -4.615 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.674 -5.021 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.863 -6.151 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.384 -5.794 -0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.311 -6.941 0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.063 -6.580 -2.503 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.074 -7.273 -3.098 1.00 0.00 H new ATOM 115 N ARG A 11 2.507 -6.236 2.625 1.00 0.00 N ATOM 116 CA ARG A 11 3.888 -6.003 3.029 1.00 0.00 C ATOM 117 C ARG A 11 4.637 -5.202 1.969 1.00 0.00 C ATOM 118 O ARG A 11 4.742 -5.623 0.817 1.00 0.00 O ATOM 119 CB ARG A 11 4.601 -7.334 3.276 1.00 0.00 C ATOM 120 CG ARG A 11 6.092 -7.188 3.533 1.00 0.00 C ATOM 121 CD ARG A 11 6.388 -7.009 5.014 1.00 0.00 C ATOM 122 NE ARG A 11 7.724 -7.482 5.366 1.00 0.00 N ATOM 123 CZ ARG A 11 8.068 -7.869 6.589 1.00 0.00 C ATOM 124 NH1 ARG A 11 7.179 -7.841 7.571 1.00 0.00 N ATOM 125 NH2 ARG A 11 9.304 -8.287 6.831 1.00 0.00 N ATOM 0 H ARG A 11 2.378 -6.369 1.622 1.00 0.00 H new ATOM 0 HA ARG A 11 3.877 -5.427 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.141 -7.830 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.452 -7.982 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.614 -8.069 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.476 -6.332 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.295 -5.955 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.646 -7.551 5.600 1.00 0.00 H new ATOM 0 HE ARG A 11 8.432 -7.517 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.228 -7.522 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.446 -8.139 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.991 -8.311 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.567 -8.584 7.771 1.00 0.00 H new ATOM 139 N ALA A 12 5.157 -4.045 2.366 1.00 0.00 N ATOM 140 CA ALA A 12 5.897 -3.185 1.451 1.00 0.00 C ATOM 141 C ALA A 12 7.238 -3.808 1.077 1.00 0.00 C ATOM 142 O ALA A 12 8.175 -3.812 1.874 1.00 0.00 O ATOM 143 CB ALA A 12 6.106 -1.811 2.070 1.00 0.00 C ATOM 0 H ALA A 12 5.079 -3.682 3.316 1.00 0.00 H new ATOM 0 HA ALA A 12 5.309 -3.075 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.660 -1.179 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.138 -1.356 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.670 -1.912 2.997 1.00 0.00 H new ATOM 149 N MET A 13 7.321 -4.334 -0.141 1.00 0.00 N ATOM 150 CA MET A 13 8.549 -4.959 -0.620 1.00 0.00 C ATOM 151 C MET A 13 9.670 -3.932 -0.742 1.00 0.00 C ATOM 152 O MET A 13 10.850 -4.277 -0.671 1.00 0.00 O ATOM 153 CB MET A 13 8.309 -5.632 -1.973 1.00 0.00 C ATOM 154 CG MET A 13 7.152 -6.618 -1.965 1.00 0.00 C ATOM 155 SD MET A 13 7.327 -7.904 -3.216 1.00 0.00 S ATOM 156 CE MET A 13 6.629 -7.082 -4.647 1.00 0.00 C ATOM 0 H MET A 13 6.554 -4.340 -0.813 1.00 0.00 H new ATOM 0 HA MET A 13 8.850 -5.715 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.116 -4.864 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.217 -6.153 -2.277 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.081 -7.081 -0.981 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.219 -6.079 -2.131 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.675 -7.543 -4.902 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.473 -6.027 -4.421 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.314 -7.175 -5.490 1.00 0.00 H new ATOM 166 N TYR A 14 9.295 -2.672 -0.925 1.00 0.00 N ATOM 167 CA TYR A 14 10.269 -1.596 -1.059 1.00 0.00 C ATOM 168 C TYR A 14 9.721 -0.290 -0.491 1.00 0.00 C ATOM 169 O TYR A 14 8.522 -0.024 -0.566 1.00 0.00 O ATOM 170 CB TYR A 14 10.652 -1.405 -2.528 1.00 0.00 C ATOM 171 CG TYR A 14 10.690 -2.695 -3.315 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.696 -3.631 -3.104 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.722 -2.978 -4.271 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.735 -4.811 -3.822 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.753 -4.156 -4.992 1.00 0.00 C ATOM 176 CZ TYR A 14 10.761 -5.069 -4.764 1.00 0.00 C ATOM 177 OH TYR A 14 10.797 -6.243 -5.482 1.00 0.00 O ATOM 0 H TYR A 14 8.323 -2.370 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 14 11.158 -1.873 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.940 -0.725 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.631 -0.928 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.460 -3.433 -2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.932 -2.265 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.524 -5.527 -3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.992 -4.361 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 14 10.039 -6.270 -6.103 1.00 0.00 H new ATOM 187 N GLN A 15 10.609 0.521 0.075 1.00 0.00 N ATOM 188 CA GLN A 15 10.215 1.799 0.655 1.00 0.00 C ATOM 189 C GLN A 15 9.763 2.773 -0.428 1.00 0.00 C ATOM 190 O GLN A 15 10.311 2.787 -1.531 1.00 0.00 O ATOM 191 CB GLN A 15 11.375 2.402 1.449 1.00 0.00 C ATOM 192 CG GLN A 15 11.017 3.698 2.159 1.00 0.00 C ATOM 193 CD GLN A 15 12.235 4.540 2.485 1.00 0.00 C ATOM 194 OE1 GLN A 15 13.255 4.025 2.945 1.00 0.00 O ATOM 195 NE2 GLN A 15 12.135 5.843 2.249 1.00 0.00 N ATOM 0 H GLN A 15 11.606 0.316 0.144 1.00 0.00 H new ATOM 0 HA GLN A 15 9.377 1.620 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.716 1.676 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.210 2.586 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.338 4.276 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.482 3.467 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.271 6.227 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.922 6.460 2.450 1.00 0.00 H new ATOM 204 N TYR A 16 8.762 3.585 -0.107 1.00 0.00 N ATOM 205 CA TYR A 16 8.236 4.560 -1.054 1.00 0.00 C ATOM 206 C TYR A 16 8.389 5.980 -0.517 1.00 0.00 C ATOM 207 O TYR A 16 8.486 6.190 0.693 1.00 0.00 O ATOM 208 CB TYR A 16 6.763 4.271 -1.350 1.00 0.00 C ATOM 209 CG TYR A 16 6.155 5.208 -2.369 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.555 5.174 -3.699 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.180 6.127 -2.002 1.00 0.00 C ATOM 212 CE1 TYR A 16 6.003 6.028 -4.633 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.621 6.985 -2.930 1.00 0.00 C ATOM 214 CZ TYR A 16 5.036 6.932 -4.244 1.00 0.00 C ATOM 215 OH TYR A 16 4.482 7.784 -5.172 1.00 0.00 O ATOM 0 H TYR A 16 8.299 3.587 0.802 1.00 0.00 H new ATOM 0 HA TYR A 16 8.809 4.477 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.667 3.246 -1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.195 4.338 -0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.311 4.467 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.853 6.172 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.326 5.989 -5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.863 7.693 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 16 3.555 7.981 -4.923 1.00 0.00 H new ATOM 225 N ARG A 17 8.411 6.950 -1.424 1.00 0.00 N ATOM 226 CA ARG A 17 8.553 8.350 -1.043 1.00 0.00 C ATOM 227 C ARG A 17 7.425 9.191 -1.632 1.00 0.00 C ATOM 228 O ARG A 17 7.491 9.652 -2.772 1.00 0.00 O ATOM 229 CB ARG A 17 9.905 8.893 -1.509 1.00 0.00 C ATOM 230 CG ARG A 17 11.014 8.729 -0.483 1.00 0.00 C ATOM 231 CD ARG A 17 12.038 9.848 -0.586 1.00 0.00 C ATOM 232 NE ARG A 17 11.616 11.046 0.135 1.00 0.00 N ATOM 233 CZ ARG A 17 12.051 12.268 -0.150 1.00 0.00 C ATOM 234 NH1 ARG A 17 12.916 12.453 -1.138 1.00 0.00 N ATOM 235 NH2 ARG A 17 11.620 13.308 0.552 1.00 0.00 N ATOM 0 H ARG A 17 8.332 6.792 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 17 8.499 8.412 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.194 8.384 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.798 9.951 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.585 8.718 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.507 7.768 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.992 9.503 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.200 10.095 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 17 10.950 10.938 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.248 11.656 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.249 13.392 -1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.954 13.170 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.955 14.246 0.332 1.00 0.00 H new ATOM 249 N PRO A 18 6.363 9.396 -0.838 1.00 0.00 N ATOM 250 CA PRO A 18 5.200 10.183 -1.260 1.00 0.00 C ATOM 251 C PRO A 18 5.519 11.669 -1.383 1.00 0.00 C ATOM 252 O PRO A 18 5.822 12.331 -0.391 1.00 0.00 O ATOM 253 CB PRO A 18 4.185 9.944 -0.139 1.00 0.00 C ATOM 254 CG PRO A 18 5.011 9.609 1.055 1.00 0.00 C ATOM 255 CD PRO A 18 6.216 8.877 0.532 1.00 0.00 C ATOM 0 HA PRO A 18 4.844 9.887 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.575 10.830 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.503 9.131 -0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.305 10.511 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.451 8.989 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.101 9.078 1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.065 7.798 0.539 1.00 0.00 H new ATOM 263 N GLN A 19 5.447 12.186 -2.605 1.00 0.00 N ATOM 264 CA GLN A 19 5.728 13.594 -2.856 1.00 0.00 C ATOM 265 C GLN A 19 4.794 14.489 -2.048 1.00 0.00 C ATOM 266 O GLN A 19 5.162 15.596 -1.658 1.00 0.00 O ATOM 267 CB GLN A 19 5.590 13.906 -4.347 1.00 0.00 C ATOM 268 CG GLN A 19 6.752 13.399 -5.185 1.00 0.00 C ATOM 269 CD GLN A 19 6.813 14.051 -6.553 1.00 0.00 C ATOM 270 OE1 GLN A 19 7.757 14.778 -6.864 1.00 0.00 O ATOM 271 NE2 GLN A 19 5.805 13.793 -7.378 1.00 0.00 N ATOM 0 H GLN A 19 5.197 11.651 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 19 6.753 13.795 -2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.665 13.464 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.502 14.985 -4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.686 13.586 -4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.665 12.319 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.043 13.184 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.792 14.203 -8.312 1.00 0.00 H new ATOM 280 N ASN A 20 3.583 14.000 -1.801 1.00 0.00 N ATOM 281 CA ASN A 20 2.594 14.756 -1.040 1.00 0.00 C ATOM 282 C ASN A 20 1.967 13.890 0.048 1.00 0.00 C ATOM 283 O ASN A 20 2.280 12.706 0.170 1.00 0.00 O ATOM 284 CB ASN A 20 1.505 15.293 -1.971 1.00 0.00 C ATOM 285 CG ASN A 20 2.050 15.691 -3.329 1.00 0.00 C ATOM 286 OD1 ASN A 20 2.699 16.728 -3.471 1.00 0.00 O ATOM 287 ND2 ASN A 20 1.789 14.865 -4.336 1.00 0.00 N ATOM 0 H ASN A 20 3.263 13.084 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 20 3.102 15.595 -0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.734 14.533 -2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.027 16.156 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.130 15.079 -5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.247 14.016 -4.172 1.00 0.00 H new ATOM 294 N GLU A 21 1.080 14.490 0.836 1.00 0.00 N ATOM 295 CA GLU A 21 0.409 13.773 1.914 1.00 0.00 C ATOM 296 C GLU A 21 -0.558 12.732 1.356 1.00 0.00 C ATOM 297 O GLU A 21 -0.643 11.614 1.864 1.00 0.00 O ATOM 298 CB GLU A 21 -0.344 14.752 2.817 1.00 0.00 C ATOM 299 CG GLU A 21 0.551 15.796 3.463 1.00 0.00 C ATOM 300 CD GLU A 21 -0.120 16.501 4.625 1.00 0.00 C ATOM 301 OE1 GLU A 21 -1.037 17.313 4.377 1.00 0.00 O ATOM 302 OE2 GLU A 21 0.270 16.242 5.783 1.00 0.00 O ATOM 0 H GLU A 21 0.810 15.470 0.748 1.00 0.00 H new ATOM 0 HA GLU A 21 1.169 13.259 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.112 15.257 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.857 14.191 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.466 15.318 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.842 16.533 2.715 1.00 0.00 H new ATOM 309 N ASP A 22 -1.284 13.109 0.309 1.00 0.00 N ATOM 310 CA ASP A 22 -2.244 12.209 -0.319 1.00 0.00 C ATOM 311 C ASP A 22 -1.698 10.785 -0.376 1.00 0.00 C ATOM 312 O ASP A 22 -2.363 9.839 0.042 1.00 0.00 O ATOM 313 CB ASP A 22 -2.585 12.695 -1.728 1.00 0.00 C ATOM 314 CG ASP A 22 -3.657 13.767 -1.728 1.00 0.00 C ATOM 315 OD1 ASP A 22 -4.629 13.633 -0.956 1.00 0.00 O ATOM 316 OD2 ASP A 22 -3.524 14.740 -2.500 1.00 0.00 O ATOM 0 H ASP A 22 -1.226 14.031 -0.122 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.151 12.207 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.685 13.086 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.921 11.850 -2.329 1.00 0.00 H new ATOM 321 N GLU A 23 -0.483 10.644 -0.898 1.00 0.00 N ATOM 322 CA GLU A 23 0.150 9.335 -1.012 1.00 0.00 C ATOM 323 C GLU A 23 0.601 8.828 0.355 1.00 0.00 C ATOM 324 O GLU A 23 1.019 9.608 1.212 1.00 0.00 O ATOM 325 CB GLU A 23 1.347 9.404 -1.963 1.00 0.00 C ATOM 326 CG GLU A 23 1.011 9.993 -3.322 1.00 0.00 C ATOM 327 CD GLU A 23 2.196 9.991 -4.268 1.00 0.00 C ATOM 328 OE1 GLU A 23 2.975 10.968 -4.244 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.346 9.015 -5.032 1.00 0.00 O ATOM 0 H GLU A 23 0.081 11.418 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.585 8.638 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.133 10.002 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.749 8.400 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.194 9.426 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.656 11.015 -3.193 1.00 0.00 H new ATOM 336 N LEU A 24 0.512 7.518 0.552 1.00 0.00 N ATOM 337 CA LEU A 24 0.910 6.905 1.815 1.00 0.00 C ATOM 338 C LEU A 24 2.339 6.376 1.737 1.00 0.00 C ATOM 339 O LEU A 24 2.668 5.579 0.859 1.00 0.00 O ATOM 340 CB LEU A 24 -0.047 5.769 2.177 1.00 0.00 C ATOM 341 CG LEU A 24 0.038 5.251 3.614 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.397 6.328 4.595 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.811 4.000 3.781 1.00 0.00 C ATOM 0 H LEU A 24 0.168 6.859 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 24 0.867 7.669 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.067 6.108 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.138 4.935 1.500 1.00 0.00 H new ATOM 0 HG LEU A 24 1.075 4.992 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.330 5.942 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.253 7.197 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.426 6.618 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.738 3.646 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.851 4.232 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.453 3.224 3.104 1.00 0.00 H new ATOM 355 N GLU A 25 3.182 6.824 2.663 1.00 0.00 N ATOM 356 CA GLU A 25 4.574 6.394 2.699 1.00 0.00 C ATOM 357 C GLU A 25 4.676 4.905 3.015 1.00 0.00 C ATOM 358 O GLU A 25 3.778 4.325 3.627 1.00 0.00 O ATOM 359 CB GLU A 25 5.354 7.202 3.738 1.00 0.00 C ATOM 360 CG GLU A 25 6.837 7.322 3.429 1.00 0.00 C ATOM 361 CD GLU A 25 7.511 8.424 4.223 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.176 8.588 5.414 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.374 9.123 3.651 1.00 0.00 O ATOM 0 H GLU A 25 2.925 7.484 3.397 1.00 0.00 H new ATOM 0 HA GLU A 25 5.007 6.569 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.924 8.201 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.232 6.735 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.327 6.372 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.968 7.514 2.364 1.00 0.00 H new ATOM 370 N LEU A 26 5.776 4.290 2.593 1.00 0.00 N ATOM 371 CA LEU A 26 5.996 2.868 2.831 1.00 0.00 C ATOM 372 C LEU A 26 7.427 2.608 3.292 1.00 0.00 C ATOM 373 O LEU A 26 8.304 3.457 3.136 1.00 0.00 O ATOM 374 CB LEU A 26 5.705 2.067 1.560 1.00 0.00 C ATOM 375 CG LEU A 26 4.241 2.013 1.122 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.120 1.398 -0.263 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.412 1.228 2.129 1.00 0.00 C ATOM 0 H LEU A 26 6.529 4.754 2.085 1.00 0.00 H new ATOM 0 HA LEU A 26 5.315 2.547 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.292 2.491 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.057 1.046 1.709 1.00 0.00 H new ATOM 0 HG LEU A 26 3.857 3.032 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.071 1.368 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.681 2.000 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.522 0.385 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.373 1.200 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.797 0.211 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.472 1.711 3.105 1.00 0.00 H new ATOM 389 N ARG A 27 7.655 1.427 3.859 1.00 0.00 N ATOM 390 CA ARG A 27 8.979 1.055 4.342 1.00 0.00 C ATOM 391 C ARG A 27 9.277 -0.410 4.037 1.00 0.00 C ATOM 392 O ARG A 27 8.452 -1.287 4.292 1.00 0.00 O ATOM 393 CB ARG A 27 9.085 1.306 5.847 1.00 0.00 C ATOM 394 CG ARG A 27 10.426 0.903 6.438 1.00 0.00 C ATOM 395 CD ARG A 27 11.421 2.053 6.400 1.00 0.00 C ATOM 396 NE ARG A 27 12.723 1.668 6.936 1.00 0.00 N ATOM 397 CZ ARG A 27 13.646 2.542 7.323 1.00 0.00 C ATOM 398 NH1 ARG A 27 13.409 3.844 7.234 1.00 0.00 N ATOM 399 NH2 ARG A 27 14.808 2.114 7.801 1.00 0.00 N ATOM 0 H ARG A 27 6.940 0.712 3.995 1.00 0.00 H new ATOM 0 HA ARG A 27 9.714 1.672 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.914 2.364 6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.293 0.756 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.287 0.575 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.828 0.054 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.539 2.396 5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.027 2.892 6.973 1.00 0.00 H new ATOM 0 HE ARG A 27 12.936 0.674 7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.517 4.176 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.119 4.513 7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.993 1.113 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.516 2.786 8.098 1.00 0.00 H new ATOM 413 N GLU A 28 10.461 -0.666 3.489 1.00 0.00 N ATOM 414 CA GLU A 28 10.866 -2.025 3.148 1.00 0.00 C ATOM 415 C GLU A 28 10.828 -2.928 4.377 1.00 0.00 C ATOM 416 O GLU A 28 11.623 -2.770 5.302 1.00 0.00 O ATOM 417 CB GLU A 28 12.272 -2.026 2.544 1.00 0.00 C ATOM 418 CG GLU A 28 12.767 -3.409 2.156 1.00 0.00 C ATOM 419 CD GLU A 28 14.275 -3.534 2.244 1.00 0.00 C ATOM 420 OE1 GLU A 28 14.841 -3.175 3.297 1.00 0.00 O ATOM 421 OE2 GLU A 28 14.890 -3.993 1.258 1.00 0.00 O ATOM 0 H GLU A 28 11.156 0.049 3.272 1.00 0.00 H new ATOM 0 HA GLU A 28 10.162 -2.413 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.280 -1.386 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.967 -1.589 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.306 -4.152 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.446 -3.634 1.139 1.00 0.00 H new ATOM 428 N GLY A 29 9.896 -3.877 4.379 1.00 0.00 N ATOM 429 CA GLY A 29 9.771 -4.791 5.499 1.00 0.00 C ATOM 430 C GLY A 29 8.731 -4.338 6.504 1.00 0.00 C ATOM 431 O GLY A 29 8.896 -4.532 7.709 1.00 0.00 O ATOM 0 H GLY A 29 9.226 -4.029 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.506 -5.781 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.736 -4.885 5.997 1.00 0.00 H new ATOM 435 N ASP A 30 7.657 -3.731 6.009 1.00 0.00 N ATOM 436 CA ASP A 30 6.586 -3.248 6.873 1.00 0.00 C ATOM 437 C ASP A 30 5.226 -3.722 6.369 1.00 0.00 C ATOM 438 O ASP A 30 5.014 -3.863 5.165 1.00 0.00 O ATOM 439 CB ASP A 30 6.612 -1.720 6.947 1.00 0.00 C ATOM 440 CG ASP A 30 7.482 -1.210 8.079 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.703 -1.057 7.867 1.00 0.00 O ATOM 442 OD2 ASP A 30 6.941 -0.964 9.177 1.00 0.00 O ATOM 0 H ASP A 30 7.505 -3.562 5.015 1.00 0.00 H new ATOM 0 HA ASP A 30 6.746 -3.655 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.979 -1.320 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.596 -1.348 7.078 1.00 0.00 H new ATOM 447 N ARG A 31 4.309 -3.968 7.299 1.00 0.00 N ATOM 448 CA ARG A 31 2.971 -4.428 6.950 1.00 0.00 C ATOM 449 C ARG A 31 2.107 -3.269 6.463 1.00 0.00 C ATOM 450 O ARG A 31 2.315 -2.120 6.853 1.00 0.00 O ATOM 451 CB ARG A 31 2.310 -5.101 8.154 1.00 0.00 C ATOM 452 CG ARG A 31 2.956 -6.420 8.545 1.00 0.00 C ATOM 453 CD ARG A 31 2.481 -7.559 7.656 1.00 0.00 C ATOM 454 NE ARG A 31 2.964 -8.856 8.122 1.00 0.00 N ATOM 455 CZ ARG A 31 2.372 -9.559 9.081 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.279 -9.093 9.671 1.00 0.00 N ATOM 457 NH2 ARG A 31 2.871 -10.732 9.451 1.00 0.00 N ATOM 0 H ARG A 31 4.469 -3.856 8.300 1.00 0.00 H new ATOM 0 HA ARG A 31 3.063 -5.154 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.347 -4.421 9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.257 -5.274 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.040 -6.330 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.722 -6.647 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.391 -7.567 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.825 -7.390 6.636 1.00 0.00 H new ATOM 0 HE ARG A 31 3.802 -9.243 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.891 -8.193 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.826 -9.635 10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.710 -11.095 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.415 -11.271 10.188 1.00 0.00 H new ATOM 471 N VAL A 32 1.136 -3.578 5.609 1.00 0.00 N ATOM 472 CA VAL A 32 0.240 -2.563 5.070 1.00 0.00 C ATOM 473 C VAL A 32 -1.190 -3.086 4.976 1.00 0.00 C ATOM 474 O VAL A 32 -1.425 -4.199 4.505 1.00 0.00 O ATOM 475 CB VAL A 32 0.696 -2.095 3.675 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.153 -0.926 3.200 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.170 -1.720 3.696 1.00 0.00 C ATOM 0 H VAL A 32 0.950 -4.524 5.276 1.00 0.00 H new ATOM 0 HA VAL A 32 0.270 -1.717 5.757 1.00 0.00 H new ATOM 0 HB VAL A 32 0.563 -2.918 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.184 -0.609 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.197 -1.233 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.055 -0.097 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.476 -1.392 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.330 -0.912 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.762 -2.587 3.990 1.00 0.00 H new ATOM 487 N ASP A 33 -2.141 -2.275 5.426 1.00 0.00 N ATOM 488 CA ASP A 33 -3.548 -2.654 5.391 1.00 0.00 C ATOM 489 C ASP A 33 -4.215 -2.154 4.113 1.00 0.00 C ATOM 490 O ASP A 33 -4.518 -0.968 3.983 1.00 0.00 O ATOM 491 CB ASP A 33 -4.279 -2.098 6.614 1.00 0.00 C ATOM 492 CG ASP A 33 -4.245 -3.051 7.792 1.00 0.00 C ATOM 493 OD1 ASP A 33 -3.206 -3.717 7.987 1.00 0.00 O ATOM 494 OD2 ASP A 33 -5.256 -3.131 8.520 1.00 0.00 O ATOM 0 H ASP A 33 -1.963 -1.351 5.819 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.605 -3.742 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.826 -1.150 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.316 -1.888 6.350 1.00 0.00 H new ATOM 499 N VAL A 34 -4.439 -3.065 3.172 1.00 0.00 N ATOM 500 CA VAL A 34 -5.069 -2.717 1.905 1.00 0.00 C ATOM 501 C VAL A 34 -6.552 -3.070 1.913 1.00 0.00 C ATOM 502 O VAL A 34 -6.922 -4.235 2.054 1.00 0.00 O ATOM 503 CB VAL A 34 -4.389 -3.433 0.724 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.245 -3.329 -0.530 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.001 -2.859 0.481 1.00 0.00 C ATOM 0 H VAL A 34 -4.193 -4.051 3.264 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.955 -1.640 1.781 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.282 -4.488 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.747 -3.841 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.215 -3.792 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.387 -2.279 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.535 -3.377 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.082 -1.796 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.391 -2.992 1.374 1.00 0.00 H new ATOM 515 N MET A 35 -7.398 -2.056 1.760 1.00 0.00 N ATOM 516 CA MET A 35 -8.841 -2.260 1.748 1.00 0.00 C ATOM 517 C MET A 35 -9.415 -2.008 0.357 1.00 0.00 C ATOM 518 O MET A 35 -10.258 -2.766 -0.122 1.00 0.00 O ATOM 519 CB MET A 35 -9.517 -1.337 2.765 1.00 0.00 C ATOM 520 CG MET A 35 -9.223 0.136 2.538 1.00 0.00 C ATOM 521 SD MET A 35 -9.753 1.171 3.916 1.00 0.00 S ATOM 522 CE MET A 35 -8.197 1.431 4.763 1.00 0.00 C ATOM 0 H MET A 35 -7.108 -1.085 1.643 1.00 0.00 H new ATOM 0 HA MET A 35 -9.038 -3.297 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.595 -1.494 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.191 -1.614 3.768 1.00 0.00 H new ATOM 0 HG2 MET A 35 -8.153 0.269 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 35 -9.723 0.466 1.627 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.388 1.682 5.806 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.599 0.521 4.712 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.656 2.248 4.287 1.00 0.00 H new ATOM 532 N GLN A 36 -8.951 -0.941 -0.285 1.00 0.00 N ATOM 533 CA GLN A 36 -9.419 -0.591 -1.621 1.00 0.00 C ATOM 534 C GLN A 36 -8.336 -0.850 -2.663 1.00 0.00 C ATOM 535 O GLN A 36 -7.146 -0.710 -2.382 1.00 0.00 O ATOM 536 CB GLN A 36 -9.846 0.877 -1.666 1.00 0.00 C ATOM 537 CG GLN A 36 -9.925 1.445 -3.074 1.00 0.00 C ATOM 538 CD GLN A 36 -10.095 2.951 -3.087 1.00 0.00 C ATOM 539 OE1 GLN A 36 -9.164 3.690 -3.408 1.00 0.00 O ATOM 540 NE2 GLN A 36 -11.289 3.415 -2.736 1.00 0.00 N ATOM 0 H GLN A 36 -8.252 -0.304 0.098 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.279 -1.220 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.820 0.978 -1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.141 1.470 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.019 1.181 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.760 0.984 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.032 2.766 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.463 4.420 -2.725 1.00 0.00 H new ATOM 549 N GLN A 37 -8.756 -1.228 -3.865 1.00 0.00 N ATOM 550 CA GLN A 37 -7.821 -1.507 -4.949 1.00 0.00 C ATOM 551 C GLN A 37 -8.147 -0.668 -6.180 1.00 0.00 C ATOM 552 O GLN A 37 -9.315 -0.424 -6.485 1.00 0.00 O ATOM 553 CB GLN A 37 -7.852 -2.994 -5.307 1.00 0.00 C ATOM 554 CG GLN A 37 -7.632 -3.912 -4.116 1.00 0.00 C ATOM 555 CD GLN A 37 -7.470 -5.364 -4.520 1.00 0.00 C ATOM 556 OE1 GLN A 37 -6.579 -5.708 -5.298 1.00 0.00 O ATOM 557 NE2 GLN A 37 -8.332 -6.226 -3.994 1.00 0.00 N ATOM 0 H GLN A 37 -9.738 -1.348 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.820 -1.243 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.814 -3.229 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.086 -3.195 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.744 -3.589 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.475 -3.821 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.055 -5.898 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.271 -7.216 -4.230 1.00 0.00 H new ATOM 566 N CYS A 38 -7.109 -0.228 -6.882 1.00 0.00 N ATOM 567 CA CYS A 38 -7.285 0.585 -8.079 1.00 0.00 C ATOM 568 C CYS A 38 -7.071 -0.248 -9.339 1.00 0.00 C ATOM 569 O CYS A 38 -6.444 -1.306 -9.296 1.00 0.00 O ATOM 570 CB CYS A 38 -6.316 1.768 -8.065 1.00 0.00 C ATOM 571 SG CYS A 38 -6.881 3.174 -7.079 1.00 0.00 S ATOM 0 H CYS A 38 -6.136 -0.421 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.308 0.962 -8.084 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.354 1.431 -7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.150 2.100 -9.090 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.993 4.123 -7.127 1.00 0.00 H new ATOM 577 N ASP A 39 -7.598 0.236 -10.458 1.00 0.00 N ATOM 578 CA ASP A 39 -7.466 -0.464 -11.731 1.00 0.00 C ATOM 579 C ASP A 39 -6.114 -0.170 -12.375 1.00 0.00 C ATOM 580 O ASP A 39 -5.380 -1.086 -12.745 1.00 0.00 O ATOM 581 CB ASP A 39 -8.595 -0.060 -12.679 1.00 0.00 C ATOM 582 CG ASP A 39 -9.892 -0.785 -12.377 1.00 0.00 C ATOM 583 OD1 ASP A 39 -10.068 -1.918 -12.871 1.00 0.00 O ATOM 584 OD2 ASP A 39 -10.731 -0.219 -11.645 1.00 0.00 O ATOM 0 H ASP A 39 -8.121 1.110 -10.510 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.531 -1.535 -11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.758 1.015 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.296 -0.269 -13.706 1.00 0.00 H new ATOM 589 N ASP A 40 -5.794 1.113 -12.506 1.00 0.00 N ATOM 590 CA ASP A 40 -4.531 1.528 -13.105 1.00 0.00 C ATOM 591 C ASP A 40 -3.398 0.596 -12.686 1.00 0.00 C ATOM 592 O ASP A 40 -2.602 0.159 -13.515 1.00 0.00 O ATOM 593 CB ASP A 40 -4.200 2.966 -12.704 1.00 0.00 C ATOM 594 CG ASP A 40 -4.810 3.985 -13.647 1.00 0.00 C ATOM 595 OD1 ASP A 40 -4.212 4.240 -14.713 1.00 0.00 O ATOM 596 OD2 ASP A 40 -5.886 4.527 -13.318 1.00 0.00 O ATOM 0 H ASP A 40 -6.392 1.883 -12.206 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.637 1.477 -14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.561 3.150 -11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.118 3.095 -12.685 1.00 0.00 H new ATOM 601 N GLY A 41 -3.333 0.297 -11.392 1.00 0.00 N ATOM 602 CA GLY A 41 -2.294 -0.580 -10.885 1.00 0.00 C ATOM 603 C GLY A 41 -1.749 -0.120 -9.547 1.00 0.00 C ATOM 604 O GLY A 41 -0.558 -0.262 -9.273 1.00 0.00 O ATOM 0 H GLY A 41 -3.981 0.646 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.692 -1.590 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.480 -0.629 -11.608 1.00 0.00 H new ATOM 608 N TRP A 42 -2.623 0.432 -8.714 1.00 0.00 N ATOM 609 CA TRP A 42 -2.222 0.916 -7.397 1.00 0.00 C ATOM 610 C TRP A 42 -3.148 0.375 -6.313 1.00 0.00 C ATOM 611 O TRP A 42 -4.235 -0.125 -6.605 1.00 0.00 O ATOM 612 CB TRP A 42 -2.224 2.445 -7.370 1.00 0.00 C ATOM 613 CG TRP A 42 -0.951 3.050 -7.879 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.296 2.731 -9.034 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.179 4.078 -7.249 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.837 3.498 -9.160 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.931 4.333 -8.078 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.318 4.809 -6.066 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.895 5.286 -7.760 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.640 5.755 -5.752 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.734 5.987 -6.596 1.00 0.00 C ATOM 0 H TRP A 42 -3.613 0.556 -8.926 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.212 0.558 -7.198 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.057 2.811 -7.970 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.395 2.783 -6.348 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.621 1.985 -9.744 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.500 3.453 -9.934 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.158 4.638 -5.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.740 5.465 -8.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.543 6.325 -4.840 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.465 6.734 -6.322 1.00 0.00 H new ATOM 632 N PHE A 43 -2.711 0.477 -5.063 1.00 0.00 N ATOM 633 CA PHE A 43 -3.501 -0.003 -3.935 1.00 0.00 C ATOM 634 C PHE A 43 -3.833 1.138 -2.978 1.00 0.00 C ATOM 635 O PHE A 43 -3.055 2.079 -2.823 1.00 0.00 O ATOM 636 CB PHE A 43 -2.747 -1.106 -3.189 1.00 0.00 C ATOM 637 CG PHE A 43 -2.710 -2.413 -3.929 1.00 0.00 C ATOM 638 CD1 PHE A 43 -3.857 -2.926 -4.513 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.529 -3.128 -4.040 1.00 0.00 C ATOM 640 CE1 PHE A 43 -3.826 -4.128 -5.195 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.492 -4.330 -4.721 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.643 -4.831 -5.298 1.00 0.00 C ATOM 0 H PHE A 43 -1.814 0.888 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.434 -0.410 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.726 -0.774 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.215 -1.261 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.786 -2.381 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.627 -2.742 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.727 -4.517 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.564 -4.877 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.617 -5.771 -5.829 1.00 0.00 H new ATOM 652 N VAL A 44 -4.995 1.048 -2.339 1.00 0.00 N ATOM 653 CA VAL A 44 -5.432 2.071 -1.397 1.00 0.00 C ATOM 654 C VAL A 44 -5.758 1.464 -0.037 1.00 0.00 C ATOM 655 O VAL A 44 -6.533 0.514 0.060 1.00 0.00 O ATOM 656 CB VAL A 44 -6.668 2.825 -1.920 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.114 3.880 -0.919 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.376 3.453 -3.274 1.00 0.00 C ATOM 0 H VAL A 44 -5.651 0.276 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.606 2.774 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.481 2.110 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.989 4.402 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.367 3.400 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.306 4.594 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.261 3.982 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.548 4.155 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.110 2.673 -3.987 1.00 0.00 H new ATOM 668 N GLY A 45 -5.160 2.019 1.012 1.00 0.00 N ATOM 669 CA GLY A 45 -5.399 1.519 2.353 1.00 0.00 C ATOM 670 C GLY A 45 -4.742 2.376 3.418 1.00 0.00 C ATOM 671 O GLY A 45 -4.737 3.603 3.321 1.00 0.00 O ATOM 0 H GLY A 45 -4.514 2.806 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.473 1.478 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.023 0.499 2.429 1.00 0.00 H new ATOM 675 N VAL A 46 -4.188 1.728 4.437 1.00 0.00 N ATOM 676 CA VAL A 46 -3.525 2.438 5.525 1.00 0.00 C ATOM 677 C VAL A 46 -2.165 1.823 5.835 1.00 0.00 C ATOM 678 O VAL A 46 -1.974 0.614 5.701 1.00 0.00 O ATOM 679 CB VAL A 46 -4.383 2.432 6.804 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.628 3.076 7.957 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.707 3.141 6.561 1.00 0.00 C ATOM 0 H VAL A 46 -4.185 0.712 4.532 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.387 3.467 5.194 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.595 1.397 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.250 3.063 8.852 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.709 2.521 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.383 4.107 7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.300 3.127 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.518 4.173 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.252 2.631 5.767 1.00 0.00 H new ATOM 691 N SER A 47 -1.223 2.663 6.250 1.00 0.00 N ATOM 692 CA SER A 47 0.122 2.203 6.577 1.00 0.00 C ATOM 693 C SER A 47 0.157 1.567 7.963 1.00 0.00 C ATOM 694 O SER A 47 -0.847 1.550 8.676 1.00 0.00 O ATOM 695 CB SER A 47 1.112 3.367 6.512 1.00 0.00 C ATOM 696 OG SER A 47 2.387 2.979 6.994 1.00 0.00 O ATOM 0 H SER A 47 -1.366 3.666 6.368 1.00 0.00 H new ATOM 0 HA SER A 47 0.410 1.450 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.200 3.717 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.735 4.202 7.102 1.00 0.00 H new ATOM 0 HG SER A 47 3.002 3.740 6.941 1.00 0.00 H new ATOM 702 N ARG A 48 1.320 1.045 8.339 1.00 0.00 N ATOM 703 CA ARG A 48 1.486 0.407 9.640 1.00 0.00 C ATOM 704 C ARG A 48 2.576 1.103 10.451 1.00 0.00 C ATOM 705 O ARG A 48 2.830 0.746 11.601 1.00 0.00 O ATOM 706 CB ARG A 48 1.832 -1.073 9.465 1.00 0.00 C ATOM 707 CG ARG A 48 0.693 -1.901 8.893 1.00 0.00 C ATOM 708 CD ARG A 48 -0.437 -2.063 9.899 1.00 0.00 C ATOM 709 NE ARG A 48 -0.058 -2.929 11.012 1.00 0.00 N ATOM 710 CZ ARG A 48 -0.785 -3.067 12.115 1.00 0.00 C ATOM 711 NH1 ARG A 48 -1.923 -2.400 12.251 1.00 0.00 N ATOM 712 NH2 ARG A 48 -0.375 -3.875 13.085 1.00 0.00 N ATOM 0 H ARG A 48 2.161 1.051 7.762 1.00 0.00 H new ATOM 0 HA ARG A 48 0.544 0.491 10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.698 -1.160 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.121 -1.487 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.312 -1.424 7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.066 -2.883 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.724 -1.084 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.312 -2.478 9.398 1.00 0.00 H new ATOM 0 HE ARG A 48 0.812 -3.456 10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.242 -1.779 11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.479 -2.508 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.499 -4.391 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.934 -3.980 13.932 1.00 0.00 H new ATOM 726 N ARG A 49 3.216 2.096 9.843 1.00 0.00 N ATOM 727 CA ARG A 49 4.278 2.841 10.508 1.00 0.00 C ATOM 728 C ARG A 49 3.798 4.232 10.911 1.00 0.00 C ATOM 729 O ARG A 49 4.199 4.764 11.947 1.00 0.00 O ATOM 730 CB ARG A 49 5.499 2.956 9.593 1.00 0.00 C ATOM 731 CG ARG A 49 6.635 3.767 10.193 1.00 0.00 C ATOM 732 CD ARG A 49 7.965 3.434 9.536 1.00 0.00 C ATOM 733 NE ARG A 49 8.955 4.489 9.738 1.00 0.00 N ATOM 734 CZ ARG A 49 10.264 4.304 9.605 1.00 0.00 C ATOM 735 NH1 ARG A 49 10.738 3.111 9.272 1.00 0.00 N ATOM 736 NH2 ARG A 49 11.102 5.313 9.806 1.00 0.00 N ATOM 0 H ARG A 49 3.018 2.403 8.891 1.00 0.00 H new ATOM 0 HA ARG A 49 4.558 2.297 11.410 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.862 1.955 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.195 3.413 8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.426 4.830 10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.698 3.571 11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.346 2.497 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.813 3.279 8.468 1.00 0.00 H new ATOM 0 HE ARG A 49 8.623 5.419 9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.097 2.333 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.743 2.972 9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.741 6.232 10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.107 5.170 9.704 1.00 0.00 H new ATOM 750 N THR A 50 2.936 4.817 10.085 1.00 0.00 N ATOM 751 CA THR A 50 2.403 6.146 10.354 1.00 0.00 C ATOM 752 C THR A 50 0.897 6.097 10.590 1.00 0.00 C ATOM 753 O THR A 50 0.308 7.052 11.094 1.00 0.00 O ATOM 754 CB THR A 50 2.697 7.115 9.193 1.00 0.00 C ATOM 755 OG1 THR A 50 2.096 6.631 7.987 1.00 0.00 O ATOM 756 CG2 THR A 50 4.196 7.276 8.990 1.00 0.00 C ATOM 0 H THR A 50 2.592 4.391 9.224 1.00 0.00 H new ATOM 0 HA THR A 50 2.898 6.509 11.255 1.00 0.00 H new ATOM 0 HB THR A 50 2.274 8.088 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.286 7.253 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.380 7.965 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.646 7.672 9.900 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.638 6.307 8.759 1.00 0.00 H new ATOM 764 N GLN A 51 0.282 4.978 10.223 1.00 0.00 N ATOM 765 CA GLN A 51 -1.156 4.805 10.395 1.00 0.00 C ATOM 766 C GLN A 51 -1.927 5.891 9.652 1.00 0.00 C ATOM 767 O GLN A 51 -2.950 6.380 10.132 1.00 0.00 O ATOM 768 CB GLN A 51 -1.519 4.831 11.881 1.00 0.00 C ATOM 769 CG GLN A 51 -1.114 3.570 12.628 1.00 0.00 C ATOM 770 CD GLN A 51 -2.088 2.428 12.417 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.006 2.523 11.603 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.892 1.339 13.152 1.00 0.00 N ATOM 0 H GLN A 51 0.756 4.178 9.805 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.434 3.837 9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.039 5.691 12.349 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.595 4.973 11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.121 3.261 12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.044 3.790 13.693 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.118 1.304 13.815 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.516 0.538 13.053 1.00 0.00 H new ATOM 781 N LYS A 52 -1.431 6.265 8.478 1.00 0.00 N ATOM 782 CA LYS A 52 -2.073 7.292 7.667 1.00 0.00 C ATOM 783 C LYS A 52 -2.809 6.671 6.485 1.00 0.00 C ATOM 784 O LYS A 52 -2.541 5.531 6.103 1.00 0.00 O ATOM 785 CB LYS A 52 -1.034 8.297 7.163 1.00 0.00 C ATOM 786 CG LYS A 52 -0.502 9.217 8.248 1.00 0.00 C ATOM 787 CD LYS A 52 -0.031 10.543 7.674 1.00 0.00 C ATOM 788 CE LYS A 52 0.900 11.267 8.634 1.00 0.00 C ATOM 789 NZ LYS A 52 0.177 11.775 9.832 1.00 0.00 N ATOM 0 H LYS A 52 -0.585 5.871 8.066 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.799 7.812 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.200 7.753 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.479 8.901 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.282 9.396 8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.324 8.730 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.483 10.369 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.893 11.173 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.694 10.590 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.377 12.100 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.847 12.262 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.564 12.441 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.257 10.978 10.339 1.00 0.00 H new ATOM 803 N PHE A 53 -3.738 7.427 5.908 1.00 0.00 N ATOM 804 CA PHE A 53 -4.513 6.950 4.769 1.00 0.00 C ATOM 805 C PHE A 53 -4.059 7.629 3.480 1.00 0.00 C ATOM 806 O PHE A 53 -3.478 8.713 3.508 1.00 0.00 O ATOM 807 CB PHE A 53 -6.004 7.206 4.996 1.00 0.00 C ATOM 808 CG PHE A 53 -6.886 6.575 3.957 1.00 0.00 C ATOM 809 CD1 PHE A 53 -6.949 5.196 3.827 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.651 7.359 3.109 1.00 0.00 C ATOM 811 CE1 PHE A 53 -7.760 4.612 2.872 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.464 6.781 2.153 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.517 5.406 2.033 1.00 0.00 C ATOM 0 H PHE A 53 -3.972 8.372 6.211 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.347 5.877 4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.284 6.826 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.182 8.281 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.358 4.571 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.611 8.435 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.802 3.537 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.058 7.404 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.149 4.952 1.284 1.00 0.00 H new ATOM 823 N GLY A 54 -4.329 6.983 2.350 1.00 0.00 N ATOM 824 CA GLY A 54 -3.942 7.538 1.066 1.00 0.00 C ATOM 825 C GLY A 54 -3.789 6.475 -0.003 1.00 0.00 C ATOM 826 O GLY A 54 -4.345 5.382 0.112 1.00 0.00 O ATOM 0 H GLY A 54 -4.809 6.084 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.690 8.264 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.001 8.077 1.175 1.00 0.00 H new ATOM 830 N THR A 55 -3.034 6.795 -1.050 1.00 0.00 N ATOM 831 CA THR A 55 -2.812 5.860 -2.146 1.00 0.00 C ATOM 832 C THR A 55 -1.323 5.650 -2.396 1.00 0.00 C ATOM 833 O THR A 55 -0.532 6.591 -2.323 1.00 0.00 O ATOM 834 CB THR A 55 -3.475 6.352 -3.446 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.114 5.495 -4.535 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.059 7.781 -3.759 1.00 0.00 C ATOM 0 H THR A 55 -2.566 7.695 -1.162 1.00 0.00 H new ATOM 0 HA THR A 55 -3.265 4.913 -1.851 1.00 0.00 H new ATOM 0 HB THR A 55 -4.556 6.328 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.541 5.814 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.540 8.106 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.362 8.435 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.977 7.827 -3.878 1.00 0.00 H new ATOM 844 N PHE A 56 -0.947 4.410 -2.693 1.00 0.00 N ATOM 845 CA PHE A 56 0.448 4.077 -2.954 1.00 0.00 C ATOM 846 C PHE A 56 0.561 3.044 -4.071 1.00 0.00 C ATOM 847 O PHE A 56 -0.377 2.299 -4.359 1.00 0.00 O ATOM 848 CB PHE A 56 1.114 3.545 -1.683 1.00 0.00 C ATOM 849 CG PHE A 56 0.230 2.636 -0.878 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.776 3.155 -0.079 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.404 1.262 -0.921 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.591 2.322 0.663 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.410 0.423 -0.182 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.407 0.954 0.612 1.00 0.00 C ATOM 0 H PHE A 56 -1.589 3.620 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 56 0.959 4.986 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.022 3.007 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.417 4.388 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.925 4.224 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.184 0.842 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.371 2.740 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.266 -0.646 -0.226 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.042 0.301 1.192 1.00 0.00 H new ATOM 864 N PRO A 57 1.735 2.996 -4.717 1.00 0.00 N ATOM 865 CA PRO A 57 1.999 2.059 -5.812 1.00 0.00 C ATOM 866 C PRO A 57 2.095 0.615 -5.330 1.00 0.00 C ATOM 867 O PRO A 57 3.105 0.207 -4.759 1.00 0.00 O ATOM 868 CB PRO A 57 3.348 2.529 -6.364 1.00 0.00 C ATOM 869 CG PRO A 57 4.005 3.219 -5.219 1.00 0.00 C ATOM 870 CD PRO A 57 2.897 3.854 -4.426 1.00 0.00 C ATOM 0 HA PRO A 57 1.197 2.059 -6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.946 1.689 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.216 3.203 -7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.567 2.512 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.713 3.970 -5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.125 3.873 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.722 4.885 -4.733 1.00 0.00 H new ATOM 878 N GLY A 58 1.035 -0.153 -5.565 1.00 0.00 N ATOM 879 CA GLY A 58 1.021 -1.543 -5.148 1.00 0.00 C ATOM 880 C GLY A 58 2.273 -2.288 -5.569 1.00 0.00 C ATOM 881 O GLY A 58 2.757 -3.158 -4.846 1.00 0.00 O ATOM 0 H GLY A 58 0.187 0.162 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.920 -1.593 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.148 -2.038 -5.573 1.00 0.00 H new ATOM 885 N ASN A 59 2.797 -1.947 -6.741 1.00 0.00 N ATOM 886 CA ASN A 59 3.999 -2.591 -7.258 1.00 0.00 C ATOM 887 C ASN A 59 5.095 -2.628 -6.197 1.00 0.00 C ATOM 888 O ASN A 59 6.034 -3.419 -6.287 1.00 0.00 O ATOM 889 CB ASN A 59 4.502 -1.856 -8.502 1.00 0.00 C ATOM 890 CG ASN A 59 4.169 -0.376 -8.474 1.00 0.00 C ATOM 891 OD1 ASN A 59 5.020 0.458 -8.166 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.924 -0.045 -8.796 1.00 0.00 N ATOM 0 H ASN A 59 2.408 -1.228 -7.351 1.00 0.00 H new ATOM 0 HA ASN A 59 3.745 -3.616 -7.528 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.582 -1.981 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.061 -2.308 -9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.640 0.935 -8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.252 -0.770 -9.045 1.00 0.00 H new ATOM 899 N TYR A 60 4.967 -1.767 -5.193 1.00 0.00 N ATOM 900 CA TYR A 60 5.948 -1.700 -4.116 1.00 0.00 C ATOM 901 C TYR A 60 5.608 -2.693 -3.008 1.00 0.00 C ATOM 902 O TYR A 60 6.497 -3.240 -2.355 1.00 0.00 O ATOM 903 CB TYR A 60 6.011 -0.283 -3.544 1.00 0.00 C ATOM 904 CG TYR A 60 6.949 0.633 -4.297 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.760 0.893 -5.649 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.024 1.237 -3.658 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.614 1.728 -6.342 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.883 2.075 -4.343 1.00 0.00 C ATOM 909 CZ TYR A 60 8.674 2.318 -5.685 1.00 0.00 C ATOM 910 OH TYR A 60 9.528 3.151 -6.371 1.00 0.00 O ATOM 0 H TYR A 60 4.195 -1.107 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 60 6.922 -1.962 -4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.010 0.148 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.326 -0.335 -2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.931 0.434 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.191 1.049 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.453 1.918 -7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.714 2.537 -3.831 1.00 0.00 H new ATOM 0 HH TYR A 60 10.220 3.484 -5.762 1.00 0.00 H new ATOM 920 N VAL A 61 4.315 -2.921 -2.802 1.00 0.00 N ATOM 921 CA VAL A 61 3.857 -3.849 -1.776 1.00 0.00 C ATOM 922 C VAL A 61 3.341 -5.144 -2.395 1.00 0.00 C ATOM 923 O VAL A 61 3.306 -5.288 -3.617 1.00 0.00 O ATOM 924 CB VAL A 61 2.742 -3.227 -0.914 1.00 0.00 C ATOM 925 CG1 VAL A 61 3.235 -1.955 -0.241 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.508 -2.949 -1.758 1.00 0.00 C ATOM 0 H VAL A 61 3.566 -2.476 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 61 4.717 -4.069 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 61 2.468 -3.939 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.434 -1.529 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.087 -2.188 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.537 -1.235 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.731 -2.510 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.764 -2.256 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.144 -3.882 -2.188 1.00 0.00 H new ATOM 936 N ALA A 62 2.942 -6.083 -1.544 1.00 0.00 N ATOM 937 CA ALA A 62 2.426 -7.365 -2.007 1.00 0.00 C ATOM 938 C ALA A 62 1.518 -8.002 -0.961 1.00 0.00 C ATOM 939 O ALA A 62 1.666 -7.782 0.241 1.00 0.00 O ATOM 940 CB ALA A 62 3.574 -8.302 -2.354 1.00 0.00 C ATOM 0 H ALA A 62 2.966 -5.980 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 62 1.833 -7.187 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.174 -9.256 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.181 -7.857 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.190 -8.465 -1.470 1.00 0.00 H new ATOM 946 N PRO A 63 0.553 -8.809 -1.427 1.00 0.00 N ATOM 947 CA PRO A 63 -0.398 -9.495 -0.547 1.00 0.00 C ATOM 948 C PRO A 63 0.262 -10.595 0.276 1.00 0.00 C ATOM 949 O PRO A 63 0.590 -11.662 -0.245 1.00 0.00 O ATOM 950 CB PRO A 63 -1.415 -10.093 -1.522 1.00 0.00 C ATOM 951 CG PRO A 63 -0.666 -10.252 -2.800 1.00 0.00 C ATOM 952 CD PRO A 63 0.318 -9.116 -2.848 1.00 0.00 C ATOM 0 HA PRO A 63 -0.836 -8.818 0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.792 -11.050 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.277 -9.437 -1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.154 -11.214 -2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.342 -10.219 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.239 -9.403 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.086 -8.257 -3.383 1.00 0.00 H new ATOM 960 N VAL A 64 0.454 -10.330 1.564 1.00 0.00 N ATOM 961 CA VAL A 64 1.074 -11.299 2.460 1.00 0.00 C ATOM 962 C VAL A 64 0.065 -12.345 2.922 1.00 0.00 C ATOM 963 O VAL A 64 0.430 -13.475 3.243 1.00 0.00 O ATOM 964 CB VAL A 64 1.686 -10.611 3.694 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.716 -9.593 4.274 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.076 -11.644 4.741 1.00 0.00 C ATOM 0 H VAL A 64 0.189 -9.452 2.011 1.00 0.00 H new ATOM 0 HA VAL A 64 1.868 -11.789 1.896 1.00 0.00 H new ATOM 0 HB VAL A 64 2.588 -10.083 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.166 -9.117 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.491 -8.836 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.205 -10.095 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.507 -11.140 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.192 -12.202 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.809 -12.331 4.319 1.00 0.00 H new ATOM 976 N SER A 65 -1.206 -11.959 2.952 1.00 0.00 N ATOM 977 CA SER A 65 -2.269 -12.861 3.378 1.00 0.00 C ATOM 978 C SER A 65 -2.046 -14.264 2.822 1.00 0.00 C ATOM 979 O SER A 65 -2.256 -15.260 3.515 1.00 0.00 O ATOM 980 CB SER A 65 -3.630 -12.331 2.924 1.00 0.00 C ATOM 981 OG SER A 65 -4.663 -13.255 3.222 1.00 0.00 O ATOM 0 H SER A 65 -1.525 -11.027 2.686 1.00 0.00 H new ATOM 0 HA SER A 65 -2.252 -12.913 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.836 -11.380 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.609 -12.138 1.851 1.00 0.00 H new ATOM 0 HG SER A 65 -5.523 -12.892 2.923 1.00 0.00 H new ATOM 987 N GLY A 66 -1.618 -14.335 1.565 1.00 0.00 N ATOM 988 CA GLY A 66 -1.372 -15.619 0.936 1.00 0.00 C ATOM 989 C GLY A 66 -2.404 -15.952 -0.123 1.00 0.00 C ATOM 990 O GLY A 66 -3.568 -15.560 -0.032 1.00 0.00 O ATOM 0 H GLY A 66 -1.437 -13.526 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.380 -15.615 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.372 -16.399 1.697 1.00 0.00 H new ATOM 994 N PRO A 67 -1.978 -16.692 -1.158 1.00 0.00 N ATOM 995 CA PRO A 67 -2.858 -17.093 -2.260 1.00 0.00 C ATOM 996 C PRO A 67 -3.898 -18.121 -1.827 1.00 0.00 C ATOM 997 O PRO A 67 -3.901 -18.570 -0.680 1.00 0.00 O ATOM 998 CB PRO A 67 -1.894 -17.705 -3.279 1.00 0.00 C ATOM 999 CG PRO A 67 -0.732 -18.169 -2.470 1.00 0.00 C ATOM 1000 CD PRO A 67 -0.605 -17.195 -1.331 1.00 0.00 C ATOM 0 HA PRO A 67 -3.434 -16.253 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.358 -18.532 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.589 -16.972 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.893 -19.182 -2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.178 -18.189 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.238 -17.680 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.091 -16.390 -1.566 1.00 0.00 H new ATOM 1008 N SER A 68 -4.780 -18.489 -2.751 1.00 0.00 N ATOM 1009 CA SER A 68 -5.827 -19.462 -2.463 1.00 0.00 C ATOM 1010 C SER A 68 -5.750 -20.644 -3.424 1.00 0.00 C ATOM 1011 O SER A 68 -6.236 -21.735 -3.124 1.00 0.00 O ATOM 1012 CB SER A 68 -7.205 -18.802 -2.557 1.00 0.00 C ATOM 1013 OG SER A 68 -7.461 -18.343 -3.873 1.00 0.00 O ATOM 0 H SER A 68 -4.790 -18.128 -3.705 1.00 0.00 H new ATOM 0 HA SER A 68 -5.677 -19.831 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.974 -19.515 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.260 -17.966 -1.860 1.00 0.00 H new ATOM 0 HG SER A 68 -8.348 -17.927 -3.908 1.00 0.00 H new ATOM 1019 N SER A 69 -5.135 -20.419 -4.580 1.00 0.00 N ATOM 1020 CA SER A 69 -4.996 -21.464 -5.588 1.00 0.00 C ATOM 1021 C SER A 69 -3.555 -21.557 -6.079 1.00 0.00 C ATOM 1022 O SER A 69 -3.045 -20.641 -6.722 1.00 0.00 O ATOM 1023 CB SER A 69 -5.932 -21.191 -6.768 1.00 0.00 C ATOM 1024 OG SER A 69 -5.559 -20.007 -7.451 1.00 0.00 O ATOM 0 H SER A 69 -4.725 -19.523 -4.842 1.00 0.00 H new ATOM 0 HA SER A 69 -5.267 -22.415 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.909 -22.035 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.957 -21.100 -6.410 1.00 0.00 H new ATOM 0 HG SER A 69 -4.590 -19.879 -7.379 1.00 0.00 H new ATOM 1030 N GLY A 70 -2.902 -22.674 -5.770 1.00 0.00 N ATOM 1031 CA GLY A 70 -1.525 -22.868 -6.186 1.00 0.00 C ATOM 1032 C GLY A 70 -0.746 -23.743 -5.224 1.00 0.00 C ATOM 1033 O GLY A 70 -1.204 -24.018 -4.115 1.00 0.00 O ATOM 0 H GLY A 70 -3.302 -23.448 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.509 -23.320 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.034 -21.898 -6.269 1.00 0.00 H new TER 1037 GLY A 70