USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=18 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= 0.594 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= -0.0311 USER MOD Single : A 13 MET CE :methyl -133:sc= -0.373 (180deg=-1.12) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -6.69! C(o=-6.7!,f=-9.2!) USER MOD Single : A 16 TYR OH : rot -138:sc= 1.09 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.87 K(o=-3.9,f=-10!) USER MOD Single : A 35 MET CE :methyl 159:sc= -0.121 (180deg=-0.672) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.3) USER MOD Single : A 38 CYS SG : rot -100:sc= 0.662 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00329 K(o=-0.0033,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= -0.155 USER MOD Single : A 59 ASN : amide:sc=-0.00941 X(o=-0.0094,f=-0.0094) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 2:sc= 0.256! USER MOD Single : A 68 SER OG : rot 18:sc= 0.49 USER MOD Single : A 69 SER OG : rot -72:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.719 -0.805 0.001 1.00 0.00 N ATOM 2 CA GLY A 1 -19.144 -0.532 1.306 1.00 0.00 C ATOM 3 C GLY A 1 -19.828 0.622 2.011 1.00 0.00 C ATOM 4 O GLY A 1 -20.036 1.683 1.422 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.217 -1.602 -0.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.725 -1.046 0.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.628 0.038 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.216 -1.426 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.083 -0.307 1.192 1.00 0.00 H new ATOM 8 N SER A 2 -20.181 0.415 3.276 1.00 0.00 N ATOM 9 CA SER A 2 -20.850 1.446 4.061 1.00 0.00 C ATOM 10 C SER A 2 -20.191 1.601 5.428 1.00 0.00 C ATOM 11 O SER A 2 -19.673 2.667 5.761 1.00 0.00 O ATOM 12 CB SER A 2 -22.332 1.104 4.232 1.00 0.00 C ATOM 13 OG SER A 2 -23.080 2.249 4.600 1.00 0.00 O ATOM 0 H SER A 2 -20.015 -0.457 3.779 1.00 0.00 H new ATOM 0 HA SER A 2 -20.762 2.391 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.724 0.694 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.445 0.332 4.993 1.00 0.00 H new ATOM 0 HG SER A 2 -24.024 2.005 4.701 1.00 0.00 H new ATOM 19 N SER A 3 -20.215 0.531 6.215 1.00 0.00 N ATOM 20 CA SER A 3 -19.624 0.548 7.548 1.00 0.00 C ATOM 21 C SER A 3 -18.418 -0.384 7.619 1.00 0.00 C ATOM 22 O SER A 3 -17.281 0.063 7.764 1.00 0.00 O ATOM 23 CB SER A 3 -20.662 0.139 8.595 1.00 0.00 C ATOM 24 OG SER A 3 -21.490 1.234 8.947 1.00 0.00 O ATOM 0 H SER A 3 -20.638 -0.360 5.953 1.00 0.00 H new ATOM 0 HA SER A 3 -19.289 1.564 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.275 -0.674 8.206 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.157 -0.240 9.484 1.00 0.00 H new ATOM 0 HG SER A 3 -22.146 0.946 9.616 1.00 0.00 H new ATOM 30 N GLY A 4 -18.676 -1.684 7.517 1.00 0.00 N ATOM 31 CA GLY A 4 -17.603 -2.660 7.572 1.00 0.00 C ATOM 32 C GLY A 4 -16.471 -2.331 6.620 1.00 0.00 C ATOM 33 O GLY A 4 -16.653 -2.339 5.403 1.00 0.00 O ATOM 0 H GLY A 4 -19.609 -2.079 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.215 -2.712 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.000 -3.646 7.332 1.00 0.00 H new ATOM 37 N SER A 5 -15.299 -2.040 7.175 1.00 0.00 N ATOM 38 CA SER A 5 -14.133 -1.702 6.366 1.00 0.00 C ATOM 39 C SER A 5 -12.987 -2.673 6.633 1.00 0.00 C ATOM 40 O SER A 5 -12.047 -2.355 7.361 1.00 0.00 O ATOM 41 CB SER A 5 -13.682 -0.270 6.659 1.00 0.00 C ATOM 42 OG SER A 5 -14.741 0.650 6.457 1.00 0.00 O ATOM 0 H SER A 5 -15.131 -2.031 8.181 1.00 0.00 H new ATOM 0 HA SER A 5 -14.414 -1.780 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.327 -0.200 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.843 -0.011 6.014 1.00 0.00 H new ATOM 0 HG SER A 5 -15.505 0.398 7.017 1.00 0.00 H new ATOM 48 N SER A 6 -13.073 -3.858 6.037 1.00 0.00 N ATOM 49 CA SER A 6 -12.045 -4.878 6.212 1.00 0.00 C ATOM 50 C SER A 6 -10.820 -4.567 5.358 1.00 0.00 C ATOM 51 O SER A 6 -10.929 -4.356 4.151 1.00 0.00 O ATOM 52 CB SER A 6 -12.599 -6.257 5.848 1.00 0.00 C ATOM 53 OG SER A 6 -11.627 -7.267 6.055 1.00 0.00 O ATOM 0 H SER A 6 -13.843 -4.136 5.429 1.00 0.00 H new ATOM 0 HA SER A 6 -11.744 -4.880 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.482 -6.469 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.916 -6.261 4.805 1.00 0.00 H new ATOM 0 HG SER A 6 -12.006 -8.139 5.817 1.00 0.00 H new ATOM 59 N GLY A 7 -9.653 -4.540 5.995 1.00 0.00 N ATOM 60 CA GLY A 7 -8.424 -4.254 5.279 1.00 0.00 C ATOM 61 C GLY A 7 -7.536 -5.475 5.141 1.00 0.00 C ATOM 62 O GLY A 7 -7.249 -6.159 6.124 1.00 0.00 O ATOM 0 H GLY A 7 -9.537 -4.711 6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.665 -3.870 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.878 -3.468 5.801 1.00 0.00 H new ATOM 66 N THR A 8 -7.101 -5.753 3.915 1.00 0.00 N ATOM 67 CA THR A 8 -6.244 -6.901 3.651 1.00 0.00 C ATOM 68 C THR A 8 -4.796 -6.604 4.023 1.00 0.00 C ATOM 69 O THR A 8 -4.266 -5.529 3.743 1.00 0.00 O ATOM 70 CB THR A 8 -6.305 -7.319 2.169 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.668 -7.494 1.766 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.533 -8.609 1.938 1.00 0.00 C ATOM 0 H THR A 8 -7.329 -5.198 3.090 1.00 0.00 H new ATOM 0 HA THR A 8 -6.614 -7.720 4.268 1.00 0.00 H new ATOM 0 HB THR A 8 -5.848 -6.530 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.699 -7.758 0.823 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.591 -8.884 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.490 -8.464 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.965 -9.405 2.545 1.00 0.00 H new ATOM 80 N PRO A 9 -4.139 -7.578 4.670 1.00 0.00 N ATOM 81 CA PRO A 9 -2.742 -7.444 5.094 1.00 0.00 C ATOM 82 C PRO A 9 -1.776 -7.441 3.915 1.00 0.00 C ATOM 83 O PRO A 9 -1.871 -8.281 3.020 1.00 0.00 O ATOM 84 CB PRO A 9 -2.516 -8.681 5.968 1.00 0.00 C ATOM 85 CG PRO A 9 -3.508 -9.677 5.477 1.00 0.00 C ATOM 86 CD PRO A 9 -4.708 -8.885 5.037 1.00 0.00 C ATOM 0 HA PRO A 9 -2.562 -6.501 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.497 -9.055 5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.671 -8.454 7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.100 -10.259 4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.774 -10.383 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.212 -9.355 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.444 -8.793 5.836 1.00 0.00 H new ATOM 94 N TYR A 10 -0.846 -6.493 3.920 1.00 0.00 N ATOM 95 CA TYR A 10 0.137 -6.380 2.849 1.00 0.00 C ATOM 96 C TYR A 10 1.528 -6.106 3.412 1.00 0.00 C ATOM 97 O TYR A 10 1.703 -5.967 4.623 1.00 0.00 O ATOM 98 CB TYR A 10 -0.261 -5.266 1.878 1.00 0.00 C ATOM 99 CG TYR A 10 -1.152 -5.736 0.751 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.472 -6.100 0.988 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.674 -5.816 -0.551 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.290 -6.530 -0.039 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.485 -6.244 -1.585 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.792 -6.600 -1.324 1.00 0.00 C ATOM 105 OH TYR A 10 -3.603 -7.027 -2.350 1.00 0.00 O ATOM 0 H TYR A 10 -0.752 -5.791 4.654 1.00 0.00 H new ATOM 0 HA TYR A 10 0.163 -7.329 2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.774 -4.479 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.641 -4.823 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.865 -6.046 1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.349 -5.539 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.313 -6.810 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.098 -6.299 -2.592 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.100 -7.017 -3.191 1.00 0.00 H new ATOM 115 N ARG A 11 2.514 -6.028 2.525 1.00 0.00 N ATOM 116 CA ARG A 11 3.890 -5.771 2.932 1.00 0.00 C ATOM 117 C ARG A 11 4.626 -4.953 1.875 1.00 0.00 C ATOM 118 O ARG A 11 4.509 -5.217 0.679 1.00 0.00 O ATOM 119 CB ARG A 11 4.627 -7.089 3.176 1.00 0.00 C ATOM 120 CG ARG A 11 6.140 -6.950 3.179 1.00 0.00 C ATOM 121 CD ARG A 11 6.795 -7.998 4.066 1.00 0.00 C ATOM 122 NE ARG A 11 8.131 -8.355 3.596 1.00 0.00 N ATOM 123 CZ ARG A 11 8.748 -9.484 3.925 1.00 0.00 C ATOM 124 NH1 ARG A 11 8.152 -10.362 4.720 1.00 0.00 N ATOM 125 NH2 ARG A 11 9.964 -9.738 3.457 1.00 0.00 N ATOM 0 H ARG A 11 2.386 -6.139 1.519 1.00 0.00 H new ATOM 0 HA ARG A 11 3.867 -5.198 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.307 -7.503 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.338 -7.805 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.517 -7.047 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.414 -5.954 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.859 -7.621 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.170 -8.891 4.095 1.00 0.00 H new ATOM 0 HE ARG A 11 8.617 -7.702 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.217 -10.171 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.628 -11.228 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.425 -9.066 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.437 -10.605 3.710 1.00 0.00 H new ATOM 139 N ALA A 12 5.385 -3.959 2.325 1.00 0.00 N ATOM 140 CA ALA A 12 6.141 -3.104 1.419 1.00 0.00 C ATOM 141 C ALA A 12 7.422 -3.790 0.958 1.00 0.00 C ATOM 142 O ALA A 12 8.383 -3.905 1.717 1.00 0.00 O ATOM 143 CB ALA A 12 6.462 -1.777 2.090 1.00 0.00 C ATOM 0 H ALA A 12 5.492 -3.726 3.312 1.00 0.00 H new ATOM 0 HA ALA A 12 5.525 -2.914 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.027 -1.148 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.535 -1.274 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.055 -1.957 2.987 1.00 0.00 H new ATOM 149 N MET A 13 7.428 -4.243 -0.292 1.00 0.00 N ATOM 150 CA MET A 13 8.593 -4.918 -0.854 1.00 0.00 C ATOM 151 C MET A 13 9.762 -3.950 -1.003 1.00 0.00 C ATOM 152 O MET A 13 10.923 -4.360 -1.017 1.00 0.00 O ATOM 153 CB MET A 13 8.247 -5.532 -2.211 1.00 0.00 C ATOM 154 CG MET A 13 6.968 -6.354 -2.199 1.00 0.00 C ATOM 155 SD MET A 13 6.904 -7.560 -3.538 1.00 0.00 S ATOM 156 CE MET A 13 6.050 -6.619 -4.800 1.00 0.00 C ATOM 0 H MET A 13 6.640 -4.155 -0.934 1.00 0.00 H new ATOM 0 HA MET A 13 8.888 -5.713 -0.169 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.149 -4.734 -2.947 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.073 -6.165 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.883 -6.873 -1.244 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.110 -5.686 -2.276 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.256 -7.228 -5.233 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.618 -5.722 -4.356 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.755 -6.334 -5.581 1.00 0.00 H new ATOM 166 N TYR A 14 9.449 -2.664 -1.115 1.00 0.00 N ATOM 167 CA TYR A 14 10.473 -1.638 -1.267 1.00 0.00 C ATOM 168 C TYR A 14 9.989 -0.299 -0.719 1.00 0.00 C ATOM 169 O TYR A 14 8.830 0.074 -0.897 1.00 0.00 O ATOM 170 CB TYR A 14 10.861 -1.488 -2.739 1.00 0.00 C ATOM 171 CG TYR A 14 10.725 -2.767 -3.534 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.682 -3.770 -3.444 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.638 -2.972 -4.376 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.562 -4.939 -4.169 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.509 -4.140 -5.103 1.00 0.00 C ATOM 176 CZ TYR A 14 10.474 -5.120 -4.997 1.00 0.00 C ATOM 177 OH TYR A 14 10.349 -6.283 -5.721 1.00 0.00 O ATOM 0 H TYR A 14 8.493 -2.307 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 14 11.349 -1.949 -0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.237 -0.719 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.892 -1.140 -2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.535 -3.633 -2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.882 -2.206 -4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.316 -5.708 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.657 -4.285 -5.751 1.00 0.00 H new ATOM 0 HH TYR A 14 9.526 -6.251 -6.252 1.00 0.00 H new ATOM 187 N GLN A 15 10.887 0.419 -0.051 1.00 0.00 N ATOM 188 CA GLN A 15 10.552 1.717 0.524 1.00 0.00 C ATOM 189 C GLN A 15 10.033 2.669 -0.548 1.00 0.00 C ATOM 190 O GLN A 15 10.526 2.679 -1.676 1.00 0.00 O ATOM 191 CB GLN A 15 11.775 2.324 1.213 1.00 0.00 C ATOM 192 CG GLN A 15 11.473 3.610 1.966 1.00 0.00 C ATOM 193 CD GLN A 15 11.366 4.811 1.048 1.00 0.00 C ATOM 194 OE1 GLN A 15 11.678 4.729 -0.140 1.00 0.00 O ATOM 195 NE2 GLN A 15 10.922 5.937 1.595 1.00 0.00 N ATOM 0 H GLN A 15 11.851 0.124 0.105 1.00 0.00 H new ATOM 0 HA GLN A 15 9.765 1.567 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.189 1.594 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.542 2.522 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.539 3.494 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.257 3.788 2.702 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.675 5.960 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.828 6.778 1.026 1.00 0.00 H new ATOM 204 N TYR A 16 9.034 3.468 -0.189 1.00 0.00 N ATOM 205 CA TYR A 16 8.446 4.423 -1.121 1.00 0.00 C ATOM 206 C TYR A 16 8.633 5.854 -0.626 1.00 0.00 C ATOM 207 O TYR A 16 8.707 6.101 0.578 1.00 0.00 O ATOM 208 CB TYR A 16 6.957 4.129 -1.313 1.00 0.00 C ATOM 209 CG TYR A 16 6.266 5.091 -2.253 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.535 5.074 -3.616 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.344 6.015 -1.778 1.00 0.00 C ATOM 212 CE1 TYR A 16 5.906 5.952 -4.478 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.710 6.896 -2.633 1.00 0.00 C ATOM 214 CZ TYR A 16 4.995 6.860 -3.982 1.00 0.00 C ATOM 215 OH TYR A 16 4.366 7.735 -4.838 1.00 0.00 O ATOM 0 H TYR A 16 8.615 3.473 0.741 1.00 0.00 H new ATOM 0 HA TYR A 16 8.957 4.319 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.842 3.115 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.461 4.162 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.247 4.363 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.119 6.045 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.127 5.927 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.996 7.608 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 16 4.325 8.623 -4.426 1.00 0.00 H new ATOM 225 N ARG A 17 8.709 6.792 -1.564 1.00 0.00 N ATOM 226 CA ARG A 17 8.889 8.199 -1.225 1.00 0.00 C ATOM 227 C ARG A 17 7.760 9.046 -1.806 1.00 0.00 C ATOM 228 O ARG A 17 7.837 9.539 -2.931 1.00 0.00 O ATOM 229 CB ARG A 17 10.237 8.702 -1.743 1.00 0.00 C ATOM 230 CG ARG A 17 11.414 8.299 -0.869 1.00 0.00 C ATOM 231 CD ARG A 17 12.663 9.093 -1.217 1.00 0.00 C ATOM 232 NE ARG A 17 13.866 8.506 -0.631 1.00 0.00 N ATOM 233 CZ ARG A 17 14.475 7.434 -1.125 1.00 0.00 C ATOM 234 NH1 ARG A 17 13.998 6.836 -2.207 1.00 0.00 N ATOM 235 NH2 ARG A 17 15.565 6.959 -0.535 1.00 0.00 N ATOM 0 H ARG A 17 8.649 6.604 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 17 8.868 8.291 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.396 8.318 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.206 9.789 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.161 8.457 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.612 7.234 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.773 9.139 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.551 10.118 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 17 14.259 8.943 0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.161 7.199 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.468 6.013 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.935 7.417 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.033 6.136 -0.914 1.00 0.00 H new ATOM 249 N PRO A 18 6.686 9.219 -1.021 1.00 0.00 N ATOM 250 CA PRO A 18 5.522 10.007 -1.436 1.00 0.00 C ATOM 251 C PRO A 18 5.828 11.499 -1.513 1.00 0.00 C ATOM 252 O PRO A 18 6.353 12.083 -0.566 1.00 0.00 O ATOM 253 CB PRO A 18 4.494 9.728 -0.336 1.00 0.00 C ATOM 254 CG PRO A 18 5.308 9.366 0.859 1.00 0.00 C ATOM 255 CD PRO A 18 6.526 8.660 0.332 1.00 0.00 C ATOM 0 HA PRO A 18 5.182 9.735 -2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.874 10.603 -0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.822 8.917 -0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.587 10.255 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.745 8.722 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.402 8.852 0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.384 7.580 0.306 1.00 0.00 H new ATOM 263 N GLN A 19 5.496 12.109 -2.646 1.00 0.00 N ATOM 264 CA GLN A 19 5.737 13.533 -2.846 1.00 0.00 C ATOM 265 C GLN A 19 4.810 14.369 -1.970 1.00 0.00 C ATOM 266 O GLN A 19 5.162 15.472 -1.553 1.00 0.00 O ATOM 267 CB GLN A 19 5.540 13.904 -4.316 1.00 0.00 C ATOM 268 CG GLN A 19 4.137 13.627 -4.831 1.00 0.00 C ATOM 269 CD GLN A 19 3.806 14.423 -6.079 1.00 0.00 C ATOM 270 OE1 GLN A 19 3.465 15.604 -6.004 1.00 0.00 O ATOM 271 NE2 GLN A 19 3.905 13.779 -7.236 1.00 0.00 N ATOM 0 H GLN A 19 5.059 11.640 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 19 6.767 13.745 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.764 14.963 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.256 13.349 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.036 12.563 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.414 13.865 -4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.191 12.800 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.695 14.263 -8.109 1.00 0.00 H new ATOM 280 N ASN A 20 3.624 13.836 -1.694 1.00 0.00 N ATOM 281 CA ASN A 20 2.646 14.535 -0.868 1.00 0.00 C ATOM 282 C ASN A 20 1.985 13.577 0.119 1.00 0.00 C ATOM 283 O ASN A 20 2.222 12.371 0.081 1.00 0.00 O ATOM 284 CB ASN A 20 1.581 15.193 -1.748 1.00 0.00 C ATOM 285 CG ASN A 20 0.937 14.211 -2.708 1.00 0.00 C ATOM 286 OD1 ASN A 20 0.365 13.203 -2.291 1.00 0.00 O ATOM 287 ND2 ASN A 20 1.026 14.502 -4.000 1.00 0.00 N ATOM 0 H ASN A 20 3.317 12.923 -2.030 1.00 0.00 H new ATOM 0 HA ASN A 20 3.169 15.307 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.812 15.635 -1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.034 16.007 -2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.611 13.879 -4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.510 15.348 -4.300 1.00 0.00 H new ATOM 294 N GLU A 21 1.155 14.125 1.002 1.00 0.00 N ATOM 295 CA GLU A 21 0.461 13.319 1.999 1.00 0.00 C ATOM 296 C GLU A 21 -0.537 12.374 1.336 1.00 0.00 C ATOM 297 O GLU A 21 -0.679 11.221 1.741 1.00 0.00 O ATOM 298 CB GLU A 21 -0.263 14.221 3.001 1.00 0.00 C ATOM 299 CG GLU A 21 0.659 14.843 4.036 1.00 0.00 C ATOM 300 CD GLU A 21 0.983 13.895 5.174 1.00 0.00 C ATOM 301 OE1 GLU A 21 0.036 13.364 5.792 1.00 0.00 O ATOM 302 OE2 GLU A 21 2.183 13.683 5.447 1.00 0.00 O ATOM 0 H GLU A 21 0.947 15.123 1.047 1.00 0.00 H new ATOM 0 HA GLU A 21 1.204 12.722 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.775 15.016 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.030 13.639 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.585 15.154 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.193 15.742 4.439 1.00 0.00 H new ATOM 309 N ASP A 22 -1.225 12.872 0.314 1.00 0.00 N ATOM 310 CA ASP A 22 -2.209 12.073 -0.407 1.00 0.00 C ATOM 311 C ASP A 22 -1.737 10.629 -0.551 1.00 0.00 C ATOM 312 O ASP A 22 -2.538 9.697 -0.500 1.00 0.00 O ATOM 313 CB ASP A 22 -2.476 12.675 -1.787 1.00 0.00 C ATOM 314 CG ASP A 22 -2.367 14.188 -1.789 1.00 0.00 C ATOM 315 OD1 ASP A 22 -2.928 14.823 -0.872 1.00 0.00 O ATOM 316 OD2 ASP A 22 -1.722 14.736 -2.707 1.00 0.00 O ATOM 0 H ASP A 22 -1.119 13.825 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.135 12.078 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.767 12.261 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.472 12.385 -2.120 1.00 0.00 H new ATOM 321 N GLU A 23 -0.432 10.454 -0.732 1.00 0.00 N ATOM 322 CA GLU A 23 0.146 9.124 -0.886 1.00 0.00 C ATOM 323 C GLU A 23 0.661 8.597 0.451 1.00 0.00 C ATOM 324 O GLU A 23 0.993 9.370 1.350 1.00 0.00 O ATOM 325 CB GLU A 23 1.285 9.154 -1.907 1.00 0.00 C ATOM 326 CG GLU A 23 0.952 9.934 -3.168 1.00 0.00 C ATOM 327 CD GLU A 23 2.094 9.948 -4.165 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.233 9.624 -3.766 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.851 10.282 -5.343 1.00 0.00 O ATOM 0 H GLU A 23 0.245 11.216 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.636 8.455 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.168 9.592 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.544 8.131 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.070 9.498 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.697 10.959 -2.900 1.00 0.00 H new ATOM 336 N LEU A 24 0.724 7.276 0.574 1.00 0.00 N ATOM 337 CA LEU A 24 1.197 6.643 1.800 1.00 0.00 C ATOM 338 C LEU A 24 2.656 6.219 1.666 1.00 0.00 C ATOM 339 O LEU A 24 3.057 5.656 0.648 1.00 0.00 O ATOM 340 CB LEU A 24 0.330 5.429 2.139 1.00 0.00 C ATOM 341 CG LEU A 24 0.215 5.080 3.623 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.425 6.225 4.392 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.584 3.798 3.808 1.00 0.00 C ATOM 0 H LEU A 24 0.453 6.622 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 24 1.122 7.371 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.673 5.603 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.731 4.563 1.613 1.00 0.00 H new ATOM 0 HG LEU A 24 1.218 4.920 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.499 5.959 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.186 7.121 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.422 6.417 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.656 3.564 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.585 3.930 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.084 2.980 3.290 1.00 0.00 H new ATOM 355 N GLU A 25 3.444 6.492 2.701 1.00 0.00 N ATOM 356 CA GLU A 25 4.858 6.136 2.698 1.00 0.00 C ATOM 357 C GLU A 25 5.057 4.691 3.146 1.00 0.00 C ATOM 358 O GLU A 25 4.562 4.280 4.196 1.00 0.00 O ATOM 359 CB GLU A 25 5.645 7.078 3.613 1.00 0.00 C ATOM 360 CG GLU A 25 7.144 7.056 3.363 1.00 0.00 C ATOM 361 CD GLU A 25 7.926 7.777 4.445 1.00 0.00 C ATOM 362 OE1 GLU A 25 8.209 7.153 5.488 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.254 8.965 4.247 1.00 0.00 O ATOM 0 H GLU A 25 3.128 6.958 3.551 1.00 0.00 H new ATOM 0 HA GLU A 25 5.229 6.236 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.277 8.095 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.454 6.806 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.483 6.022 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.355 7.518 2.398 1.00 0.00 H new ATOM 370 N LEU A 26 5.785 3.924 2.341 1.00 0.00 N ATOM 371 CA LEU A 26 6.050 2.524 2.653 1.00 0.00 C ATOM 372 C LEU A 26 7.528 2.305 2.961 1.00 0.00 C ATOM 373 O LEU A 26 8.391 3.022 2.455 1.00 0.00 O ATOM 374 CB LEU A 26 5.624 1.632 1.485 1.00 0.00 C ATOM 375 CG LEU A 26 4.190 1.819 0.986 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.030 1.234 -0.408 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.202 1.181 1.952 1.00 0.00 C ATOM 0 H LEU A 26 6.202 4.248 1.468 1.00 0.00 H new ATOM 0 HA LEU A 26 5.470 2.258 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.304 1.810 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.751 0.591 1.783 1.00 0.00 H new ATOM 0 HG LEU A 26 3.979 2.887 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.004 1.376 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.711 1.737 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.260 0.169 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.187 1.324 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.411 0.115 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.299 1.647 2.932 1.00 0.00 H new ATOM 389 N ARG A 27 7.812 1.308 3.793 1.00 0.00 N ATOM 390 CA ARG A 27 9.185 0.994 4.168 1.00 0.00 C ATOM 391 C ARG A 27 9.485 -0.485 3.943 1.00 0.00 C ATOM 392 O ARG A 27 8.716 -1.354 4.352 1.00 0.00 O ATOM 393 CB ARG A 27 9.432 1.358 5.633 1.00 0.00 C ATOM 394 CG ARG A 27 10.821 0.986 6.127 1.00 0.00 C ATOM 395 CD ARG A 27 11.826 2.092 5.848 1.00 0.00 C ATOM 396 NE ARG A 27 13.177 1.569 5.661 1.00 0.00 N ATOM 397 CZ ARG A 27 14.237 2.337 5.433 1.00 0.00 C ATOM 398 NH1 ARG A 27 14.103 3.654 5.364 1.00 0.00 N ATOM 399 NH2 ARG A 27 15.434 1.787 5.273 1.00 0.00 N ATOM 0 H ARG A 27 7.109 0.704 4.220 1.00 0.00 H new ATOM 0 HA ARG A 27 9.851 1.583 3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.285 2.430 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.689 0.857 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.786 0.786 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.147 0.066 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.523 2.641 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.823 2.802 6.675 1.00 0.00 H new ATOM 0 HE ARG A 27 13.314 0.559 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.184 4.080 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.918 4.241 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.541 0.774 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.247 2.377 5.098 1.00 0.00 H new ATOM 413 N GLU A 28 10.609 -0.763 3.288 1.00 0.00 N ATOM 414 CA GLU A 28 11.009 -2.137 3.008 1.00 0.00 C ATOM 415 C GLU A 28 10.890 -3.004 4.258 1.00 0.00 C ATOM 416 O GLU A 28 11.642 -2.837 5.217 1.00 0.00 O ATOM 417 CB GLU A 28 12.445 -2.176 2.481 1.00 0.00 C ATOM 418 CG GLU A 28 12.878 -3.549 1.995 1.00 0.00 C ATOM 419 CD GLU A 28 14.384 -3.728 2.018 1.00 0.00 C ATOM 420 OE1 GLU A 28 14.917 -4.137 3.070 1.00 0.00 O ATOM 421 OE2 GLU A 28 15.028 -3.458 0.983 1.00 0.00 O ATOM 0 H GLU A 28 11.257 -0.056 2.942 1.00 0.00 H new ATOM 0 HA GLU A 28 10.339 -2.535 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.542 -1.463 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.122 -1.849 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.415 -4.314 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.513 -3.703 0.979 1.00 0.00 H new ATOM 428 N GLY A 29 9.938 -3.933 4.238 1.00 0.00 N ATOM 429 CA GLY A 29 9.737 -4.812 5.375 1.00 0.00 C ATOM 430 C GLY A 29 8.718 -4.268 6.356 1.00 0.00 C ATOM 431 O GLY A 29 8.880 -4.404 7.569 1.00 0.00 O ATOM 0 H GLY A 29 9.303 -4.092 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.410 -5.790 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.687 -4.960 5.888 1.00 0.00 H new ATOM 435 N ASP A 30 7.667 -3.648 5.832 1.00 0.00 N ATOM 436 CA ASP A 30 6.617 -3.080 6.670 1.00 0.00 C ATOM 437 C ASP A 30 5.242 -3.571 6.228 1.00 0.00 C ATOM 438 O ASP A 30 4.966 -3.679 5.033 1.00 0.00 O ATOM 439 CB ASP A 30 6.667 -1.552 6.621 1.00 0.00 C ATOM 440 CG ASP A 30 7.714 -0.976 7.555 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.748 -1.642 7.770 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.498 0.140 8.070 1.00 0.00 O ATOM 0 H ASP A 30 7.519 -3.526 4.830 1.00 0.00 H new ATOM 0 HA ASP A 30 6.787 -3.409 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.878 -1.231 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.689 -1.151 6.885 1.00 0.00 H new ATOM 447 N ARG A 31 4.385 -3.867 7.198 1.00 0.00 N ATOM 448 CA ARG A 31 3.040 -4.349 6.909 1.00 0.00 C ATOM 449 C ARG A 31 2.117 -3.193 6.534 1.00 0.00 C ATOM 450 O ARG A 31 2.284 -2.071 7.013 1.00 0.00 O ATOM 451 CB ARG A 31 2.472 -5.098 8.116 1.00 0.00 C ATOM 452 CG ARG A 31 3.074 -6.480 8.313 1.00 0.00 C ATOM 453 CD ARG A 31 2.364 -7.523 7.463 1.00 0.00 C ATOM 454 NE ARG A 31 1.177 -8.054 8.127 1.00 0.00 N ATOM 455 CZ ARG A 31 1.220 -8.783 9.237 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.384 -9.065 9.804 1.00 0.00 N ATOM 457 NH2 ARG A 31 0.095 -9.231 9.782 1.00 0.00 N ATOM 0 H ARG A 31 4.598 -3.782 8.192 1.00 0.00 H new ATOM 0 HA ARG A 31 3.101 -5.033 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.643 -4.505 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.393 -5.194 7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.133 -6.457 8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.009 -6.760 9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.078 -7.080 6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.051 -8.339 7.242 1.00 0.00 H new ATOM 0 HE ARG A 31 0.265 -7.854 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.250 -8.722 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.414 -9.625 10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.803 -9.016 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.129 -9.791 10.634 1.00 0.00 H new ATOM 471 N VAL A 32 1.143 -3.474 5.675 1.00 0.00 N ATOM 472 CA VAL A 32 0.193 -2.459 5.236 1.00 0.00 C ATOM 473 C VAL A 32 -1.238 -2.981 5.299 1.00 0.00 C ATOM 474 O VAL A 32 -1.468 -4.190 5.324 1.00 0.00 O ATOM 475 CB VAL A 32 0.495 -1.991 3.800 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.322 -0.754 3.459 1.00 0.00 C ATOM 477 CG2 VAL A 32 1.982 -1.721 3.630 1.00 0.00 C ATOM 0 H VAL A 32 0.991 -4.397 5.269 1.00 0.00 H new ATOM 0 HA VAL A 32 0.298 -1.613 5.915 1.00 0.00 H new ATOM 0 HB VAL A 32 0.212 -2.786 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.096 -0.438 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.384 -0.986 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.073 0.049 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.178 -1.391 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.293 -0.944 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.543 -2.634 3.830 1.00 0.00 H new ATOM 487 N ASP A 33 -2.196 -2.062 5.322 1.00 0.00 N ATOM 488 CA ASP A 33 -3.607 -2.429 5.380 1.00 0.00 C ATOM 489 C ASP A 33 -4.351 -1.923 4.148 1.00 0.00 C ATOM 490 O ASP A 33 -4.859 -0.802 4.134 1.00 0.00 O ATOM 491 CB ASP A 33 -4.251 -1.866 6.647 1.00 0.00 C ATOM 492 CG ASP A 33 -5.411 -2.714 7.133 1.00 0.00 C ATOM 493 OD1 ASP A 33 -5.179 -3.887 7.493 1.00 0.00 O ATOM 494 OD2 ASP A 33 -6.550 -2.203 7.153 1.00 0.00 O ATOM 0 H ASP A 33 -2.022 -1.057 5.301 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.673 -3.517 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.500 -1.798 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.602 -0.852 6.453 1.00 0.00 H new ATOM 499 N VAL A 34 -4.410 -2.757 3.114 1.00 0.00 N ATOM 500 CA VAL A 34 -5.092 -2.394 1.878 1.00 0.00 C ATOM 501 C VAL A 34 -6.605 -2.499 2.033 1.00 0.00 C ATOM 502 O VAL A 34 -7.117 -3.475 2.580 1.00 0.00 O ATOM 503 CB VAL A 34 -4.645 -3.289 0.707 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.629 -3.189 -0.448 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.241 -2.913 0.256 1.00 0.00 C ATOM 0 H VAL A 34 -3.994 -3.688 3.108 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.823 -1.360 1.660 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.628 -4.324 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.296 -3.828 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.616 -3.511 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.681 -2.156 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.941 -3.555 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.230 -1.873 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.546 -3.042 1.086 1.00 0.00 H new ATOM 515 N MET A 35 -7.316 -1.485 1.549 1.00 0.00 N ATOM 516 CA MET A 35 -8.771 -1.464 1.633 1.00 0.00 C ATOM 517 C MET A 35 -9.397 -1.570 0.246 1.00 0.00 C ATOM 518 O MET A 35 -10.251 -2.423 0.005 1.00 0.00 O ATOM 519 CB MET A 35 -9.245 -0.184 2.323 1.00 0.00 C ATOM 520 CG MET A 35 -9.208 -0.262 3.841 1.00 0.00 C ATOM 521 SD MET A 35 -9.802 1.247 4.628 1.00 0.00 S ATOM 522 CE MET A 35 -8.460 1.587 5.765 1.00 0.00 C ATOM 0 H MET A 35 -6.908 -0.668 1.095 1.00 0.00 H new ATOM 0 HA MET A 35 -9.089 -2.324 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.622 0.648 1.995 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.264 0.035 2.003 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.816 -1.104 4.173 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.186 -0.459 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.480 2.640 6.047 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.574 0.971 6.657 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.509 1.358 5.284 1.00 0.00 H new ATOM 532 N GLN A 36 -8.967 -0.698 -0.661 1.00 0.00 N ATOM 533 CA GLN A 36 -9.488 -0.694 -2.023 1.00 0.00 C ATOM 534 C GLN A 36 -8.380 -0.989 -3.029 1.00 0.00 C ATOM 535 O GLN A 36 -7.204 -0.748 -2.759 1.00 0.00 O ATOM 536 CB GLN A 36 -10.135 0.655 -2.340 1.00 0.00 C ATOM 537 CG GLN A 36 -10.334 0.900 -3.827 1.00 0.00 C ATOM 538 CD GLN A 36 -10.776 2.318 -4.131 1.00 0.00 C ATOM 539 OE1 GLN A 36 -9.958 3.236 -4.187 1.00 0.00 O ATOM 540 NE2 GLN A 36 -12.075 2.504 -4.329 1.00 0.00 N ATOM 0 H GLN A 36 -8.260 0.014 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.242 -1.477 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.101 0.712 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.515 1.452 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.402 0.693 -4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.078 0.202 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.718 1.714 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.431 3.437 -4.537 1.00 0.00 H new ATOM 549 N GLN A 37 -8.765 -1.512 -4.189 1.00 0.00 N ATOM 550 CA GLN A 37 -7.804 -1.841 -5.235 1.00 0.00 C ATOM 551 C GLN A 37 -8.157 -1.135 -6.540 1.00 0.00 C ATOM 552 O GLN A 37 -9.280 -1.246 -7.033 1.00 0.00 O ATOM 553 CB GLN A 37 -7.756 -3.353 -5.456 1.00 0.00 C ATOM 554 CG GLN A 37 -7.523 -4.148 -4.181 1.00 0.00 C ATOM 555 CD GLN A 37 -7.217 -5.608 -4.450 1.00 0.00 C ATOM 556 OE1 GLN A 37 -6.973 -6.003 -5.591 1.00 0.00 O ATOM 557 NE2 GLN A 37 -7.227 -6.419 -3.399 1.00 0.00 N ATOM 0 H GLN A 37 -9.735 -1.717 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.821 -1.497 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.694 -3.675 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.963 -3.583 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.696 -3.704 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.407 -4.077 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.434 -6.049 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.027 -7.412 -3.519 1.00 0.00 H new ATOM 566 N CYS A 38 -7.192 -0.409 -7.094 1.00 0.00 N ATOM 567 CA CYS A 38 -7.402 0.316 -8.342 1.00 0.00 C ATOM 568 C CYS A 38 -7.134 -0.583 -9.545 1.00 0.00 C ATOM 569 O CYS A 38 -6.385 -1.555 -9.451 1.00 0.00 O ATOM 570 CB CYS A 38 -6.497 1.547 -8.398 1.00 0.00 C ATOM 571 SG CYS A 38 -7.053 2.820 -9.556 1.00 0.00 S ATOM 0 H CYS A 38 -6.257 -0.307 -6.699 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.443 0.637 -8.377 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.431 1.982 -7.401 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.491 1.233 -8.676 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.373 2.729 -10.660 1.00 0.00 H new ATOM 577 N ASP A 39 -7.753 -0.252 -10.673 1.00 0.00 N ATOM 578 CA ASP A 39 -7.582 -1.030 -11.895 1.00 0.00 C ATOM 579 C ASP A 39 -6.288 -0.646 -12.606 1.00 0.00 C ATOM 580 O ASP A 39 -5.783 -1.395 -13.443 1.00 0.00 O ATOM 581 CB ASP A 39 -8.774 -0.820 -12.829 1.00 0.00 C ATOM 582 CG ASP A 39 -8.626 -1.575 -14.135 1.00 0.00 C ATOM 583 OD1 ASP A 39 -8.681 -2.823 -14.108 1.00 0.00 O ATOM 584 OD2 ASP A 39 -8.456 -0.920 -15.184 1.00 0.00 O ATOM 0 H ASP A 39 -8.377 0.549 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.526 -2.084 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.686 -1.143 -12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.885 0.244 -13.038 1.00 0.00 H new ATOM 589 N ASP A 40 -5.758 0.524 -12.269 1.00 0.00 N ATOM 590 CA ASP A 40 -4.523 1.008 -12.876 1.00 0.00 C ATOM 591 C ASP A 40 -3.320 0.230 -12.352 1.00 0.00 C ATOM 592 O ASP A 40 -2.328 0.051 -13.059 1.00 0.00 O ATOM 593 CB ASP A 40 -4.343 2.500 -12.596 1.00 0.00 C ATOM 594 CG ASP A 40 -5.576 3.309 -12.947 1.00 0.00 C ATOM 595 OD1 ASP A 40 -6.668 2.972 -12.444 1.00 0.00 O ATOM 596 OD2 ASP A 40 -5.450 4.278 -13.724 1.00 0.00 O ATOM 0 H ASP A 40 -6.164 1.156 -11.579 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.591 0.855 -13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.107 2.643 -11.542 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.493 2.874 -13.167 1.00 0.00 H new ATOM 601 N GLY A 41 -3.414 -0.230 -11.108 1.00 0.00 N ATOM 602 CA GLY A 41 -2.326 -0.982 -10.511 1.00 0.00 C ATOM 603 C GLY A 41 -1.901 -0.419 -9.169 1.00 0.00 C ATOM 604 O GLY A 41 -0.885 -0.832 -8.609 1.00 0.00 O ATOM 0 H GLY A 41 -4.224 -0.095 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.632 -2.021 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.472 -0.981 -11.189 1.00 0.00 H new ATOM 608 N TRP A 42 -2.678 0.526 -8.653 1.00 0.00 N ATOM 609 CA TRP A 42 -2.375 1.148 -7.368 1.00 0.00 C ATOM 610 C TRP A 42 -3.296 0.616 -6.276 1.00 0.00 C ATOM 611 O TRP A 42 -4.409 0.169 -6.552 1.00 0.00 O ATOM 612 CB TRP A 42 -2.508 2.668 -7.470 1.00 0.00 C ATOM 613 CG TRP A 42 -1.271 3.340 -7.985 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.615 3.067 -9.151 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.542 4.395 -7.349 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.479 3.889 -9.278 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.545 4.713 -8.187 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.702 5.103 -6.155 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.466 5.707 -7.866 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.213 6.089 -5.838 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.285 6.385 -6.691 1.00 0.00 C ATOM 0 H TRP A 42 -3.522 0.879 -9.104 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.347 0.898 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.344 2.909 -8.127 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.749 3.071 -6.486 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.912 2.316 -9.868 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.135 3.886 -10.059 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.526 4.884 -5.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.294 5.935 -8.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.100 6.641 -4.917 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.982 7.163 -6.416 1.00 0.00 H new ATOM 632 N PHE A 43 -2.825 0.667 -5.034 1.00 0.00 N ATOM 633 CA PHE A 43 -3.607 0.190 -3.900 1.00 0.00 C ATOM 634 C PHE A 43 -3.844 1.311 -2.892 1.00 0.00 C ATOM 635 O PHE A 43 -2.946 2.101 -2.602 1.00 0.00 O ATOM 636 CB PHE A 43 -2.894 -0.980 -3.219 1.00 0.00 C ATOM 637 CG PHE A 43 -2.846 -2.224 -4.059 1.00 0.00 C ATOM 638 CD1 PHE A 43 -3.973 -2.663 -4.736 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.675 -2.955 -4.172 1.00 0.00 C ATOM 640 CE1 PHE A 43 -3.933 -3.807 -5.511 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.628 -4.100 -4.946 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.759 -4.527 -5.615 1.00 0.00 C ATOM 0 H PHE A 43 -1.906 1.034 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.573 -0.149 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.876 -0.680 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.398 -1.205 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.894 -2.104 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.788 -2.627 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.818 -4.137 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.708 -4.660 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.725 -5.422 -6.218 1.00 0.00 H new ATOM 652 N VAL A 44 -5.061 1.374 -2.362 1.00 0.00 N ATOM 653 CA VAL A 44 -5.418 2.397 -1.387 1.00 0.00 C ATOM 654 C VAL A 44 -5.766 1.775 -0.039 1.00 0.00 C ATOM 655 O VAL A 44 -6.705 0.988 0.070 1.00 0.00 O ATOM 656 CB VAL A 44 -6.611 3.243 -1.871 1.00 0.00 C ATOM 657 CG1 VAL A 44 -6.931 4.340 -0.867 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.322 3.833 -3.244 1.00 0.00 C ATOM 0 H VAL A 44 -5.817 0.728 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.547 3.042 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.484 2.595 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.776 4.927 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.183 3.892 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.063 4.989 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.175 4.428 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.437 4.467 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.147 3.027 -3.957 1.00 0.00 H new ATOM 668 N GLY A 45 -5.000 2.134 0.988 1.00 0.00 N ATOM 669 CA GLY A 45 -5.243 1.602 2.316 1.00 0.00 C ATOM 670 C GLY A 45 -4.646 2.469 3.406 1.00 0.00 C ATOM 671 O GLY A 45 -4.602 3.693 3.281 1.00 0.00 O ATOM 0 H GLY A 45 -4.216 2.783 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.317 1.511 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.824 0.598 2.384 1.00 0.00 H new ATOM 675 N VAL A 46 -4.186 1.834 4.480 1.00 0.00 N ATOM 676 CA VAL A 46 -3.590 2.556 5.597 1.00 0.00 C ATOM 677 C VAL A 46 -2.264 1.928 6.012 1.00 0.00 C ATOM 678 O VAL A 46 -2.051 0.728 5.836 1.00 0.00 O ATOM 679 CB VAL A 46 -4.534 2.587 6.814 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.766 2.949 8.076 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.677 3.562 6.576 1.00 0.00 C ATOM 0 H VAL A 46 -4.215 0.821 4.599 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.415 3.577 5.257 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.958 1.592 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.449 2.966 8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.986 2.208 8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.312 3.933 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.334 3.571 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.275 4.562 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.242 3.252 5.697 1.00 0.00 H new ATOM 691 N SER A 47 -1.375 2.747 6.565 1.00 0.00 N ATOM 692 CA SER A 47 -0.067 2.272 7.003 1.00 0.00 C ATOM 693 C SER A 47 -0.123 1.781 8.446 1.00 0.00 C ATOM 694 O SER A 47 -1.030 2.135 9.199 1.00 0.00 O ATOM 695 CB SER A 47 0.974 3.385 6.870 1.00 0.00 C ATOM 696 OG SER A 47 2.286 2.852 6.811 1.00 0.00 O ATOM 0 H SER A 47 -1.536 3.742 6.720 1.00 0.00 H new ATOM 0 HA SER A 47 0.222 1.437 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.774 3.968 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.893 4.066 7.717 1.00 0.00 H new ATOM 0 HG SER A 47 2.933 3.583 6.724 1.00 0.00 H new ATOM 702 N ARG A 48 0.855 0.964 8.825 1.00 0.00 N ATOM 703 CA ARG A 48 0.918 0.423 10.177 1.00 0.00 C ATOM 704 C ARG A 48 1.940 1.181 11.019 1.00 0.00 C ATOM 705 O ARG A 48 2.054 0.958 12.224 1.00 0.00 O ATOM 706 CB ARG A 48 1.274 -1.064 10.138 1.00 0.00 C ATOM 707 CG ARG A 48 0.210 -1.929 9.483 1.00 0.00 C ATOM 708 CD ARG A 48 -0.903 -2.277 10.459 1.00 0.00 C ATOM 709 NE ARG A 48 -1.518 -3.565 10.152 1.00 0.00 N ATOM 710 CZ ARG A 48 -0.986 -4.734 10.493 1.00 0.00 C ATOM 711 NH1 ARG A 48 0.165 -4.775 11.149 1.00 0.00 N ATOM 712 NH2 ARG A 48 -1.605 -5.864 10.177 1.00 0.00 N ATOM 0 H ARG A 48 1.614 0.663 8.214 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.064 0.542 10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.214 -1.190 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.440 -1.416 11.156 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.209 -1.405 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.665 -2.845 9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.502 -2.299 11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.664 -1.497 10.434 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.405 -3.568 9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.644 -3.908 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.572 -5.673 11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.491 -5.836 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.195 -6.761 10.439 1.00 0.00 H new ATOM 726 N ARG A 49 2.682 2.076 10.375 1.00 0.00 N ATOM 727 CA ARG A 49 3.697 2.864 11.064 1.00 0.00 C ATOM 728 C ARG A 49 3.167 4.255 11.403 1.00 0.00 C ATOM 729 O ARG A 49 3.261 4.706 12.545 1.00 0.00 O ATOM 730 CB ARG A 49 4.954 2.983 10.200 1.00 0.00 C ATOM 731 CG ARG A 49 6.007 3.912 10.782 1.00 0.00 C ATOM 732 CD ARG A 49 6.953 3.168 11.713 1.00 0.00 C ATOM 733 NE ARG A 49 6.459 3.139 13.087 1.00 0.00 N ATOM 734 CZ ARG A 49 7.241 2.962 14.145 1.00 0.00 C ATOM 735 NH1 ARG A 49 8.548 2.799 13.988 1.00 0.00 N ATOM 736 NH2 ARG A 49 6.717 2.948 15.364 1.00 0.00 N ATOM 0 H ARG A 49 2.599 2.273 9.378 1.00 0.00 H new ATOM 0 HA ARG A 49 3.950 2.353 11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.389 1.992 10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.672 3.342 9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.576 4.370 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.520 4.720 11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.086 2.147 11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.933 3.644 11.690 1.00 0.00 H new ATOM 0 HE ARG A 49 5.458 3.261 13.242 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.955 2.809 13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.147 2.663 14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.712 3.073 15.489 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.319 2.812 16.176 1.00 0.00 H new ATOM 750 N THR A 50 2.609 4.930 10.402 1.00 0.00 N ATOM 751 CA THR A 50 2.066 6.269 10.593 1.00 0.00 C ATOM 752 C THR A 50 0.545 6.236 10.690 1.00 0.00 C ATOM 753 O THR A 50 -0.101 7.278 10.804 1.00 0.00 O ATOM 754 CB THR A 50 2.476 7.211 9.446 1.00 0.00 C ATOM 755 OG1 THR A 50 1.979 6.709 8.199 1.00 0.00 O ATOM 756 CG2 THR A 50 3.989 7.351 9.375 1.00 0.00 C ATOM 0 H THR A 50 2.522 4.571 9.451 1.00 0.00 H new ATOM 0 HA THR A 50 2.479 6.647 11.528 1.00 0.00 H new ATOM 0 HB THR A 50 2.045 8.193 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.242 7.314 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.254 8.021 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.361 7.760 10.314 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.437 6.373 9.202 1.00 0.00 H new ATOM 764 N GLN A 51 -0.021 5.034 10.645 1.00 0.00 N ATOM 765 CA GLN A 51 -1.467 4.867 10.727 1.00 0.00 C ATOM 766 C GLN A 51 -2.185 5.908 9.874 1.00 0.00 C ATOM 767 O GLN A 51 -3.279 6.358 10.214 1.00 0.00 O ATOM 768 CB GLN A 51 -1.932 4.974 12.181 1.00 0.00 C ATOM 769 CG GLN A 51 -1.527 3.786 13.038 1.00 0.00 C ATOM 770 CD GLN A 51 -1.726 4.040 14.519 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.105 5.138 14.927 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.471 3.023 15.334 1.00 0.00 N ATOM 0 H GLN A 51 0.500 4.162 10.552 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.715 3.877 10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.522 5.884 12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.017 5.072 12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.109 2.914 12.741 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.480 3.549 12.851 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.159 2.130 14.953 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.587 3.135 16.341 1.00 0.00 H new ATOM 781 N LYS A 52 -1.561 6.288 8.764 1.00 0.00 N ATOM 782 CA LYS A 52 -2.140 7.275 7.860 1.00 0.00 C ATOM 783 C LYS A 52 -2.930 6.596 6.746 1.00 0.00 C ATOM 784 O LYS A 52 -2.715 5.421 6.446 1.00 0.00 O ATOM 785 CB LYS A 52 -1.039 8.151 7.257 1.00 0.00 C ATOM 786 CG LYS A 52 -0.600 9.286 8.166 1.00 0.00 C ATOM 787 CD LYS A 52 -0.022 10.445 7.371 1.00 0.00 C ATOM 788 CE LYS A 52 0.972 11.247 8.196 1.00 0.00 C ATOM 789 NZ LYS A 52 0.289 12.196 9.118 1.00 0.00 N ATOM 0 H LYS A 52 -0.654 5.927 8.469 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.822 7.902 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.176 7.527 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.393 8.568 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.451 9.634 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.145 8.920 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.470 10.064 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.829 11.097 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.598 10.566 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.634 11.801 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.001 12.724 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.288 12.862 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.323 11.666 9.771 1.00 0.00 H new ATOM 803 N PHE A 53 -3.845 7.342 6.137 1.00 0.00 N ATOM 804 CA PHE A 53 -4.668 6.812 5.055 1.00 0.00 C ATOM 805 C PHE A 53 -4.359 7.520 3.740 1.00 0.00 C ATOM 806 O PHE A 53 -4.218 8.741 3.697 1.00 0.00 O ATOM 807 CB PHE A 53 -6.152 6.965 5.394 1.00 0.00 C ATOM 808 CG PHE A 53 -7.068 6.478 4.307 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.182 7.176 3.115 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.813 5.323 4.476 1.00 0.00 C ATOM 811 CE1 PHE A 53 -8.024 6.731 2.114 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.657 4.873 3.478 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.762 5.578 2.295 1.00 0.00 C ATOM 0 H PHE A 53 -4.036 8.316 6.374 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.436 5.753 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.366 6.416 6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.365 8.015 5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.606 8.078 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.734 4.767 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.105 7.285 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.234 3.971 3.623 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.420 5.228 1.513 1.00 0.00 H new ATOM 823 N GLY A 54 -4.254 6.742 2.666 1.00 0.00 N ATOM 824 CA GLY A 54 -3.961 7.310 1.364 1.00 0.00 C ATOM 825 C GLY A 54 -3.828 6.253 0.286 1.00 0.00 C ATOM 826 O GLY A 54 -4.270 5.117 0.461 1.00 0.00 O ATOM 0 H GLY A 54 -4.367 5.728 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.752 8.007 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.036 7.884 1.421 1.00 0.00 H new ATOM 830 N THR A 55 -3.217 6.626 -0.835 1.00 0.00 N ATOM 831 CA THR A 55 -3.030 5.702 -1.946 1.00 0.00 C ATOM 832 C THR A 55 -1.553 5.558 -2.298 1.00 0.00 C ATOM 833 O THR A 55 -0.802 6.534 -2.279 1.00 0.00 O ATOM 834 CB THR A 55 -3.801 6.164 -3.197 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.506 5.301 -4.301 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.441 7.597 -3.556 1.00 0.00 C ATOM 0 H THR A 55 -2.844 7.561 -0.997 1.00 0.00 H new ATOM 0 HA THR A 55 -3.420 4.737 -1.624 1.00 0.00 H new ATOM 0 HB THR A 55 -4.868 6.119 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.001 5.601 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.998 7.901 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.695 8.255 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.372 7.664 -3.758 1.00 0.00 H new ATOM 844 N PHE A 56 -1.143 4.336 -2.620 1.00 0.00 N ATOM 845 CA PHE A 56 0.245 4.064 -2.977 1.00 0.00 C ATOM 846 C PHE A 56 0.327 3.027 -4.092 1.00 0.00 C ATOM 847 O PHE A 56 -0.590 2.233 -4.304 1.00 0.00 O ATOM 848 CB PHE A 56 1.022 3.576 -1.752 1.00 0.00 C ATOM 849 CG PHE A 56 0.253 2.607 -0.902 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.706 3.057 -0.008 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.489 1.244 -0.995 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.416 2.167 0.776 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.219 0.350 -0.213 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.171 0.812 0.674 1.00 0.00 C ATOM 0 H PHE A 56 -1.752 3.518 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 56 0.691 4.992 -3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.946 3.103 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.304 4.436 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.901 4.116 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.234 0.877 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.161 2.531 1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.027 -0.710 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.723 0.115 1.287 1.00 0.00 H new ATOM 864 N PRO A 57 1.451 3.032 -4.823 1.00 0.00 N ATOM 865 CA PRO A 57 1.681 2.098 -5.930 1.00 0.00 C ATOM 866 C PRO A 57 1.886 0.667 -5.446 1.00 0.00 C ATOM 867 O PRO A 57 2.943 0.325 -4.918 1.00 0.00 O ATOM 868 CB PRO A 57 2.959 2.630 -6.583 1.00 0.00 C ATOM 869 CG PRO A 57 3.663 3.365 -5.496 1.00 0.00 C ATOM 870 CD PRO A 57 2.585 3.951 -4.626 1.00 0.00 C ATOM 0 HA PRO A 57 0.828 2.050 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.572 1.817 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.731 3.288 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.305 2.695 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.303 4.147 -5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.891 3.994 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.335 4.968 -4.927 1.00 0.00 H new ATOM 878 N GLY A 58 0.867 -0.168 -5.631 1.00 0.00 N ATOM 879 CA GLY A 58 0.956 -1.553 -5.209 1.00 0.00 C ATOM 880 C GLY A 58 2.229 -2.224 -5.687 1.00 0.00 C ATOM 881 O GLY A 58 2.662 -3.225 -5.118 1.00 0.00 O ATOM 0 H GLY A 58 -0.019 0.091 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.910 -1.602 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.095 -2.102 -5.590 1.00 0.00 H new ATOM 885 N ASN A 59 2.828 -1.673 -6.737 1.00 0.00 N ATOM 886 CA ASN A 59 4.057 -2.226 -7.294 1.00 0.00 C ATOM 887 C ASN A 59 5.152 -2.292 -6.234 1.00 0.00 C ATOM 888 O ASN A 59 6.142 -3.007 -6.392 1.00 0.00 O ATOM 889 CB ASN A 59 4.530 -1.383 -8.480 1.00 0.00 C ATOM 890 CG ASN A 59 3.505 -1.330 -9.596 1.00 0.00 C ATOM 891 OD1 ASN A 59 3.290 -2.314 -10.304 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.866 -0.177 -9.759 1.00 0.00 N ATOM 0 H ASN A 59 2.482 -0.844 -7.220 1.00 0.00 H new ATOM 0 HA ASN A 59 3.847 -3.239 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.745 -0.370 -8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.463 -1.795 -8.866 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.165 -0.082 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.076 0.613 -9.149 1.00 0.00 H new ATOM 899 N TYR A 60 4.968 -1.542 -5.153 1.00 0.00 N ATOM 900 CA TYR A 60 5.941 -1.513 -4.067 1.00 0.00 C ATOM 901 C TYR A 60 5.551 -2.488 -2.961 1.00 0.00 C ATOM 902 O TYR A 60 6.408 -3.018 -2.253 1.00 0.00 O ATOM 903 CB TYR A 60 6.059 -0.099 -3.498 1.00 0.00 C ATOM 904 CG TYR A 60 6.774 0.866 -4.417 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.143 1.378 -5.544 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.079 1.265 -4.158 1.00 0.00 C ATOM 907 CE1 TYR A 60 6.792 2.260 -6.387 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.736 2.147 -4.995 1.00 0.00 C ATOM 909 CZ TYR A 60 8.088 2.641 -6.108 1.00 0.00 C ATOM 910 OH TYR A 60 8.739 3.519 -6.944 1.00 0.00 O ATOM 0 H TYR A 60 4.154 -0.946 -5.005 1.00 0.00 H new ATOM 0 HA TYR A 60 6.907 -1.817 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.060 0.284 -3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.589 -0.142 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.128 1.082 -5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.589 0.879 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.287 2.649 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.751 2.448 -4.779 1.00 0.00 H new ATOM 0 HH TYR A 60 9.643 3.684 -6.604 1.00 0.00 H new ATOM 920 N VAL A 61 4.250 -2.721 -2.817 1.00 0.00 N ATOM 921 CA VAL A 61 3.744 -3.633 -1.798 1.00 0.00 C ATOM 922 C VAL A 61 3.273 -4.944 -2.419 1.00 0.00 C ATOM 923 O VAL A 61 3.238 -5.086 -3.641 1.00 0.00 O ATOM 924 CB VAL A 61 2.581 -3.004 -1.009 1.00 0.00 C ATOM 925 CG1 VAL A 61 3.015 -1.694 -0.371 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.377 -2.792 -1.915 1.00 0.00 C ATOM 0 H VAL A 61 3.527 -2.290 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 61 4.569 -3.834 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 61 2.292 -3.690 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.180 -1.264 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.845 -1.879 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.332 -0.998 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.564 -2.347 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.650 -2.126 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.053 -3.751 -2.320 1.00 0.00 H new ATOM 936 N ALA A 62 2.911 -5.898 -1.569 1.00 0.00 N ATOM 937 CA ALA A 62 2.439 -7.197 -2.034 1.00 0.00 C ATOM 938 C ALA A 62 1.494 -7.833 -1.020 1.00 0.00 C ATOM 939 O ALA A 62 1.635 -7.658 0.191 1.00 0.00 O ATOM 940 CB ALA A 62 3.618 -8.119 -2.310 1.00 0.00 C ATOM 0 H ALA A 62 2.935 -5.797 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 62 1.886 -7.044 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.251 -9.085 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.254 -7.676 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.194 -8.257 -1.395 1.00 0.00 H new ATOM 946 N PRO A 63 0.507 -8.588 -1.523 1.00 0.00 N ATOM 947 CA PRO A 63 -0.481 -9.265 -0.678 1.00 0.00 C ATOM 948 C PRO A 63 0.127 -10.416 0.117 1.00 0.00 C ATOM 949 O PRO A 63 0.317 -11.513 -0.407 1.00 0.00 O ATOM 950 CB PRO A 63 -1.506 -9.794 -1.684 1.00 0.00 C ATOM 951 CG PRO A 63 -0.747 -9.940 -2.957 1.00 0.00 C ATOM 952 CD PRO A 63 0.279 -8.841 -2.956 1.00 0.00 C ATOM 0 HA PRO A 63 -0.904 -8.595 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.923 -10.748 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.341 -9.103 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.271 -10.919 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.410 -9.855 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.195 -9.146 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.085 -7.951 -3.468 1.00 0.00 H new ATOM 960 N VAL A 64 0.430 -10.158 1.385 1.00 0.00 N ATOM 961 CA VAL A 64 1.015 -11.173 2.253 1.00 0.00 C ATOM 962 C VAL A 64 -0.036 -12.177 2.711 1.00 0.00 C ATOM 963 O VAL A 64 0.287 -13.191 3.330 1.00 0.00 O ATOM 964 CB VAL A 64 1.678 -10.539 3.491 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.787 -9.453 4.076 1.00 0.00 C ATOM 966 CG2 VAL A 64 1.988 -11.603 4.532 1.00 0.00 C ATOM 0 H VAL A 64 0.280 -9.255 1.834 1.00 0.00 H new ATOM 0 HA VAL A 64 1.775 -11.690 1.667 1.00 0.00 H new ATOM 0 HB VAL A 64 2.617 -10.079 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.271 -9.016 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.620 -8.678 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.169 -9.886 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.456 -11.138 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.064 -12.093 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.667 -12.342 4.106 1.00 0.00 H new ATOM 976 N SER A 65 -1.296 -11.888 2.403 1.00 0.00 N ATOM 977 CA SER A 65 -2.397 -12.765 2.786 1.00 0.00 C ATOM 978 C SER A 65 -2.273 -14.123 2.102 1.00 0.00 C ATOM 979 O SER A 65 -2.967 -15.075 2.457 1.00 0.00 O ATOM 980 CB SER A 65 -3.738 -12.121 2.427 1.00 0.00 C ATOM 981 OG SER A 65 -4.758 -13.098 2.311 1.00 0.00 O ATOM 0 H SER A 65 -1.580 -11.054 1.890 1.00 0.00 H new ATOM 0 HA SER A 65 -2.351 -12.915 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.012 -11.394 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.643 -11.576 1.488 1.00 0.00 H new ATOM 0 HG SER A 65 -4.387 -13.983 2.510 1.00 0.00 H new ATOM 987 N GLY A 66 -1.384 -14.204 1.117 1.00 0.00 N ATOM 988 CA GLY A 66 -1.184 -15.448 0.398 1.00 0.00 C ATOM 989 C GLY A 66 -1.024 -16.635 1.327 1.00 0.00 C ATOM 990 O GLY A 66 -0.470 -16.524 2.421 1.00 0.00 O ATOM 0 H GLY A 66 -0.798 -13.430 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.032 -15.621 -0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.299 -15.362 -0.232 1.00 0.00 H new ATOM 994 N PRO A 67 -1.517 -17.804 0.891 1.00 0.00 N ATOM 995 CA PRO A 67 -1.439 -19.039 1.677 1.00 0.00 C ATOM 996 C PRO A 67 -0.013 -19.569 1.783 1.00 0.00 C ATOM 997 O PRO A 67 0.246 -20.545 2.487 1.00 0.00 O ATOM 998 CB PRO A 67 -2.316 -20.016 0.890 1.00 0.00 C ATOM 999 CG PRO A 67 -2.290 -19.506 -0.509 1.00 0.00 C ATOM 1000 CD PRO A 67 -2.190 -18.010 -0.403 1.00 0.00 C ATOM 0 HA PRO A 67 -1.763 -18.888 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.927 -21.032 0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.332 -20.041 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.442 -19.916 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.191 -19.800 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.615 -17.586 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.173 -17.539 -0.424 1.00 0.00 H new ATOM 1008 N SER A 68 0.909 -18.919 1.080 1.00 0.00 N ATOM 1009 CA SER A 68 2.309 -19.328 1.092 1.00 0.00 C ATOM 1010 C SER A 68 2.440 -20.825 0.830 1.00 0.00 C ATOM 1011 O SER A 68 3.328 -21.485 1.368 1.00 0.00 O ATOM 1012 CB SER A 68 2.952 -18.976 2.435 1.00 0.00 C ATOM 1013 OG SER A 68 2.278 -19.612 3.506 1.00 0.00 O ATOM 0 H SER A 68 0.712 -18.107 0.495 1.00 0.00 H new ATOM 0 HA SER A 68 2.826 -18.791 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.999 -19.278 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.932 -17.896 2.579 1.00 0.00 H new ATOM 0 HG SER A 68 1.737 -20.352 3.159 1.00 0.00 H new ATOM 1019 N SER A 69 1.548 -21.353 -0.002 1.00 0.00 N ATOM 1020 CA SER A 69 1.561 -22.773 -0.335 1.00 0.00 C ATOM 1021 C SER A 69 0.639 -23.063 -1.515 1.00 0.00 C ATOM 1022 O SER A 69 -0.143 -22.209 -1.931 1.00 0.00 O ATOM 1023 CB SER A 69 1.136 -23.606 0.876 1.00 0.00 C ATOM 1024 OG SER A 69 -0.170 -23.258 1.301 1.00 0.00 O ATOM 0 H SER A 69 0.808 -20.819 -0.458 1.00 0.00 H new ATOM 0 HA SER A 69 2.578 -23.046 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.169 -24.666 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.841 -23.452 1.693 1.00 0.00 H new ATOM 0 HG SER A 69 -0.151 -22.377 1.729 1.00 0.00 H new ATOM 1030 N GLY A 70 0.736 -24.276 -2.050 1.00 0.00 N ATOM 1031 CA GLY A 70 -0.095 -24.659 -3.177 1.00 0.00 C ATOM 1032 C GLY A 70 0.401 -24.077 -4.486 1.00 0.00 C ATOM 1033 O GLY A 70 1.343 -23.286 -4.504 1.00 0.00 O ATOM 0 H GLY A 70 1.375 -25.001 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.121 -25.746 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.118 -24.327 -3.000 1.00 0.00 H new TER 1037 GLY A 70