USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 405 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 739 THR OG1 : rot -13:sc= 0.76 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 744 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 747 TYR OH : rot 180:sc= 0 USER MOD Single : A 755 GLN : amide:sc= -0.778 K(o=-0.78,f=-2.3) USER MOD Single : A 756 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.17!) USER MOD Single : A 757 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.4!) USER MOD Single : A 759 GLN : amide:sc= -0.466 K(o=-0.47,f=-1) USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 765 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.29) USER MOD Single : A 766 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 768 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.037) USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN : amide:sc= -0.0936 X(o=-0.094,f=-0.094) USER MOD Single : A 782 GLN : amide:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : A 783 TYR OH : rot 180:sc= 0 USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N THR A 739 -2.341 -1.575 3.809 1.00 32.10 N ATOM 38 CA THR A 739 -1.838 -2.848 4.310 1.00 52.40 C ATOM 39 C THR A 739 -2.630 -3.310 5.529 1.00 65.45 C ATOM 40 O THR A 739 -2.875 -4.504 5.706 1.00 23.10 O ATOM 41 CB THR A 739 -0.348 -2.754 4.686 1.00 63.14 C ATOM 42 OG1 THR A 739 0.092 -1.393 4.612 1.00 73.14 O ATOM 43 CG2 THR A 739 0.499 -3.617 3.761 1.00 54.51 C ATOM 0 HA THR A 739 -1.957 -3.574 3.506 1.00 52.40 H new ATOM 0 HB THR A 739 -0.230 -3.118 5.707 1.00 63.14 H new ATOM 0 HG1 THR A 739 -0.578 -0.858 4.138 1.00 73.14 H new ATOM 0 HG21 THR A 739 1.548 -3.535 4.046 1.00 54.51 H new ATOM 0 HG22 THR A 739 0.182 -4.657 3.842 1.00 54.51 H new ATOM 0 HG23 THR A 739 0.375 -3.278 2.732 1.00 54.51 H new ATOM 51 N LYS A 740 -3.029 -2.359 6.366 1.00 64.35 N ATOM 52 CA LYS A 740 -3.794 -2.668 7.567 1.00 53.14 C ATOM 53 C LYS A 740 -5.048 -3.465 7.223 1.00 75.40 C ATOM 54 O LYS A 740 -5.241 -4.579 7.710 1.00 0.45 O ATOM 55 CB LYS A 740 -4.181 -1.379 8.295 1.00 24.13 C ATOM 56 CG LYS A 740 -3.895 -1.415 9.787 1.00 11.20 C ATOM 57 CD LYS A 740 -3.190 -0.151 10.250 1.00 2.31 C ATOM 58 CE LYS A 740 -4.175 0.865 10.808 1.00 71.11 C ATOM 59 NZ LYS A 740 -3.485 2.067 11.352 1.00 24.51 N1+ ATOM 0 H LYS A 740 -2.835 -1.366 6.234 1.00 64.35 H new ATOM 0 HA LYS A 740 -3.167 -3.274 8.221 1.00 53.14 H new ATOM 0 HB2 LYS A 740 -3.641 -0.544 7.850 1.00 24.13 H new ATOM 0 HB3 LYS A 740 -5.243 -1.190 8.141 1.00 24.13 H new ATOM 0 HG2 LYS A 740 -4.830 -1.533 10.335 1.00 11.20 H new ATOM 0 HG3 LYS A 740 -3.278 -2.283 10.019 1.00 11.20 H new ATOM 0 HD2 LYS A 740 -2.454 -0.403 11.013 1.00 2.31 H new ATOM 0 HD3 LYS A 740 -2.645 0.290 9.415 1.00 2.31 H new ATOM 0 HE2 LYS A 740 -4.867 1.168 10.023 1.00 71.11 H new ATOM 0 HE3 LYS A 740 -4.769 0.400 11.595 1.00 71.11 H new ATOM 0 HZ1 LYS A 740 -4.191 2.735 11.722 1.00 24.51 H new ATOM 0 HZ2 LYS A 740 -2.843 1.781 12.119 1.00 24.51 H new ATOM 0 HZ3 LYS A 740 -2.938 2.526 10.595 1.00 24.51 H new ATOM 73 N ASP A 741 -5.898 -2.888 6.379 1.00 1.15 N ATOM 74 CA ASP A 741 -7.133 -3.546 5.967 1.00 0.14 C ATOM 75 C ASP A 741 -6.834 -4.791 5.138 1.00 11.22 C ATOM 76 O ASP A 741 -7.310 -5.885 5.447 1.00 62.23 O ATOM 77 CB ASP A 741 -8.007 -2.581 5.166 1.00 54.12 C ATOM 78 CG ASP A 741 -9.361 -2.356 5.810 1.00 51.35 C ATOM 79 OD1 ASP A 741 -9.433 -2.353 7.057 1.00 43.12 O ATOM 80 OD2 ASP A 741 -10.349 -2.182 5.066 1.00 75.24 O1- ATOM 0 H ASP A 741 -5.754 -1.966 5.967 1.00 1.15 H new ATOM 0 HA ASP A 741 -7.671 -3.850 6.865 1.00 0.14 H new ATOM 0 HB2 ASP A 741 -7.492 -1.626 5.067 1.00 54.12 H new ATOM 0 HB3 ASP A 741 -8.148 -2.973 4.159 1.00 54.12 H new ATOM 85 N LEU A 742 -6.045 -4.618 4.083 1.00 5.15 N ATOM 86 CA LEU A 742 -5.684 -5.727 3.208 1.00 24.31 C ATOM 87 C LEU A 742 -5.228 -6.936 4.020 1.00 74.04 C ATOM 88 O LEU A 742 -5.632 -8.066 3.746 1.00 42.52 O ATOM 89 CB LEU A 742 -4.576 -5.301 2.243 1.00 53.41 C ATOM 90 CG LEU A 742 -4.166 -6.335 1.194 1.00 64.11 C ATOM 91 CD1 LEU A 742 -3.767 -5.649 -0.104 1.00 20.43 C ATOM 92 CD2 LEU A 742 -3.027 -7.199 1.714 1.00 25.44 C ATOM 0 H LEU A 742 -5.643 -3.720 3.813 1.00 5.15 H new ATOM 0 HA LEU A 742 -6.568 -6.009 2.636 1.00 24.31 H new ATOM 0 HB2 LEU A 742 -4.899 -4.397 1.726 1.00 53.41 H new ATOM 0 HB3 LEU A 742 -3.695 -5.036 2.827 1.00 53.41 H new ATOM 0 HG LEU A 742 -5.022 -6.979 0.993 1.00 64.11 H new ATOM 0 HD11 LEU A 742 -3.478 -6.400 -0.839 1.00 20.43 H new ATOM 0 HD12 LEU A 742 -4.610 -5.074 -0.486 1.00 20.43 H new ATOM 0 HD13 LEU A 742 -2.926 -4.981 0.081 1.00 20.43 H new ATOM 0 HD21 LEU A 742 -2.748 -7.929 0.954 1.00 25.44 H new ATOM 0 HD22 LEU A 742 -2.168 -6.569 1.944 1.00 25.44 H new ATOM 0 HD23 LEU A 742 -3.348 -7.719 2.617 1.00 25.44 H new ATOM 104 N GLN A 743 -4.389 -6.689 5.020 1.00 44.13 N ATOM 105 CA GLN A 743 -3.881 -7.757 5.872 1.00 5.33 C ATOM 106 C GLN A 743 -4.860 -8.066 7.000 1.00 51.54 C ATOM 107 O GLN A 743 -4.831 -9.152 7.579 1.00 52.54 O ATOM 108 CB GLN A 743 -2.520 -7.371 6.454 1.00 11.42 C ATOM 109 CG GLN A 743 -1.441 -7.179 5.401 1.00 63.35 C ATOM 110 CD GLN A 743 -0.078 -6.904 6.006 1.00 63.35 C ATOM 111 OE1 GLN A 743 0.160 -5.835 6.567 1.00 42.40 O ATOM 112 NE2 GLN A 743 0.826 -7.871 5.894 1.00 21.24 N ATOM 0 H GLN A 743 -4.047 -5.759 5.260 1.00 44.13 H new ATOM 0 HA GLN A 743 -3.766 -8.651 5.260 1.00 5.33 H new ATOM 0 HB2 GLN A 743 -2.627 -6.449 7.025 1.00 11.42 H new ATOM 0 HB3 GLN A 743 -2.201 -8.144 7.153 1.00 11.42 H new ATOM 0 HG2 GLN A 743 -1.384 -8.071 4.777 1.00 63.35 H new ATOM 0 HG3 GLN A 743 -1.719 -6.351 4.749 1.00 63.35 H new ATOM 0 HE21 GLN A 743 0.585 -8.742 5.421 1.00 21.24 H new ATOM 0 HE22 GLN A 743 1.761 -7.743 6.282 1.00 21.24 H new ATOM 121 N GLN A 744 -5.724 -7.104 7.306 1.00 12.32 N ATOM 122 CA GLN A 744 -6.712 -7.273 8.366 1.00 21.33 C ATOM 123 C GLN A 744 -7.655 -8.429 8.051 1.00 33.43 C ATOM 124 O GLN A 744 -8.253 -9.020 8.951 1.00 24.14 O ATOM 125 CB GLN A 744 -7.512 -5.984 8.557 1.00 40.20 C ATOM 126 CG GLN A 744 -8.759 -6.163 9.409 1.00 21.15 C ATOM 127 CD GLN A 744 -9.089 -4.929 10.226 1.00 24.30 C ATOM 128 OE1 GLN A 744 -9.322 -3.851 9.677 1.00 34.34 O ATOM 129 NE2 GLN A 744 -9.110 -5.080 11.545 1.00 54.34 N ATOM 0 H GLN A 744 -5.760 -6.200 6.836 1.00 12.32 H new ATOM 0 HA GLN A 744 -6.181 -7.502 9.290 1.00 21.33 H new ATOM 0 HB2 GLN A 744 -6.871 -5.233 9.019 1.00 40.20 H new ATOM 0 HB3 GLN A 744 -7.802 -5.598 7.580 1.00 40.20 H new ATOM 0 HG2 GLN A 744 -9.604 -6.404 8.764 1.00 21.15 H new ATOM 0 HG3 GLN A 744 -8.618 -7.011 10.079 1.00 21.15 H new ATOM 0 HE21 GLN A 744 -8.911 -5.991 11.957 1.00 54.34 H new ATOM 0 HE22 GLN A 744 -9.325 -4.285 12.146 1.00 54.34 H new ATOM 138 N LYS A 745 -7.784 -8.748 6.768 1.00 33.31 N ATOM 139 CA LYS A 745 -8.654 -9.835 6.332 1.00 0.44 C ATOM 140 C LYS A 745 -7.928 -11.175 6.402 1.00 50.43 C ATOM 141 O LYS A 745 -8.393 -12.112 7.050 1.00 54.02 O ATOM 142 CB LYS A 745 -9.146 -9.582 4.905 1.00 2.31 C ATOM 143 CG LYS A 745 -9.202 -8.110 4.534 1.00 31.00 C ATOM 144 CD LYS A 745 -9.956 -7.892 3.232 1.00 21.34 C ATOM 145 CE LYS A 745 -11.427 -8.249 3.373 1.00 2.12 C ATOM 146 NZ LYS A 745 -12.244 -7.684 2.265 1.00 50.33 N1+ ATOM 0 H LYS A 745 -7.297 -8.269 6.011 1.00 33.31 H new ATOM 0 HA LYS A 745 -9.512 -9.872 7.003 1.00 0.44 H new ATOM 0 HB2 LYS A 745 -8.489 -10.100 4.206 1.00 2.31 H new ATOM 0 HB3 LYS A 745 -10.139 -10.015 4.790 1.00 2.31 H new ATOM 0 HG2 LYS A 745 -9.686 -7.550 5.334 1.00 31.00 H new ATOM 0 HG3 LYS A 745 -8.189 -7.719 4.439 1.00 31.00 H new ATOM 0 HD2 LYS A 745 -9.861 -6.850 2.926 1.00 21.34 H new ATOM 0 HD3 LYS A 745 -9.507 -8.498 2.445 1.00 21.34 H new ATOM 0 HE2 LYS A 745 -11.537 -9.333 3.389 1.00 2.12 H new ATOM 0 HE3 LYS A 745 -11.801 -7.876 4.327 1.00 2.12 H new ATOM 0 HZ1 LYS A 745 -13.241 -7.950 2.398 1.00 50.33 H new ATOM 0 HZ2 LYS A 745 -12.159 -6.647 2.265 1.00 50.33 H new ATOM 0 HZ3 LYS A 745 -11.904 -8.059 1.357 1.00 50.33 H new ATOM 160 N PHE A 746 -6.784 -11.257 5.731 1.00 44.21 N ATOM 161 CA PHE A 746 -5.992 -12.482 5.717 1.00 55.35 C ATOM 162 C PHE A 746 -5.532 -12.848 7.124 1.00 24.22 C ATOM 163 O PHE A 746 -5.346 -14.023 7.442 1.00 11.22 O ATOM 164 CB PHE A 746 -4.781 -12.321 4.796 1.00 4.01 C ATOM 165 CG PHE A 746 -5.123 -12.393 3.336 1.00 62.13 C ATOM 166 CD1 PHE A 746 -5.793 -13.491 2.821 1.00 2.31 C ATOM 167 CD2 PHE A 746 -4.774 -11.363 2.478 1.00 65.15 C ATOM 168 CE1 PHE A 746 -6.109 -13.561 1.478 1.00 53.44 C ATOM 169 CE2 PHE A 746 -5.089 -11.426 1.133 1.00 4.43 C ATOM 170 CZ PHE A 746 -5.756 -12.526 0.632 1.00 64.30 C ATOM 0 H PHE A 746 -6.384 -10.490 5.190 1.00 44.21 H new ATOM 0 HA PHE A 746 -6.621 -13.288 5.339 1.00 55.35 H new ATOM 0 HB2 PHE A 746 -4.303 -11.363 5.002 1.00 4.01 H new ATOM 0 HB3 PHE A 746 -4.052 -13.097 5.029 1.00 4.01 H new ATOM 0 HD1 PHE A 746 -6.072 -14.302 3.478 1.00 2.31 H new ATOM 0 HD2 PHE A 746 -4.250 -10.501 2.864 1.00 65.15 H new ATOM 0 HE1 PHE A 746 -6.631 -14.423 1.089 1.00 53.44 H new ATOM 0 HE2 PHE A 746 -4.813 -10.615 0.475 1.00 4.43 H new ATOM 0 HZ PHE A 746 -6.002 -12.578 -0.418 1.00 64.30 H new ATOM 180 N TYR A 747 -5.348 -11.834 7.962 1.00 74.32 N ATOM 181 CA TYR A 747 -4.907 -12.048 9.335 1.00 65.31 C ATOM 182 C TYR A 747 -5.977 -12.772 10.146 1.00 14.20 C ATOM 183 O TYR A 747 -5.725 -13.223 11.262 1.00 1.04 O ATOM 184 CB TYR A 747 -4.565 -10.712 9.997 1.00 3.51 C ATOM 185 CG TYR A 747 -4.010 -10.853 11.397 1.00 61.13 C ATOM 186 CD1 TYR A 747 -3.064 -11.827 11.694 1.00 13.45 C ATOM 187 CD2 TYR A 747 -4.432 -10.015 12.421 1.00 31.42 C ATOM 188 CE1 TYR A 747 -2.555 -11.960 12.971 1.00 34.44 C ATOM 189 CE2 TYR A 747 -3.928 -10.141 13.700 1.00 45.40 C ATOM 190 CZ TYR A 747 -2.990 -11.115 13.971 1.00 43.33 C ATOM 191 OH TYR A 747 -2.485 -11.244 15.245 1.00 52.24 O ATOM 0 H TYR A 747 -5.497 -10.856 7.715 1.00 74.32 H new ATOM 0 HA TYR A 747 -4.014 -12.672 9.309 1.00 65.31 H new ATOM 0 HB2 TYR A 747 -3.838 -10.185 9.379 1.00 3.51 H new ATOM 0 HB3 TYR A 747 -5.462 -10.093 10.032 1.00 3.51 H new ATOM 0 HD1 TYR A 747 -2.721 -12.490 10.914 1.00 13.45 H new ATOM 0 HD2 TYR A 747 -5.167 -9.252 12.213 1.00 31.42 H new ATOM 0 HE1 TYR A 747 -1.820 -12.722 13.186 1.00 34.44 H new ATOM 0 HE2 TYR A 747 -4.267 -9.480 14.484 1.00 45.40 H new ATOM 0 HH TYR A 747 -2.894 -10.572 15.829 1.00 52.24 H new ATOM 201 N GLU A 748 -7.173 -12.877 9.574 1.00 5.41 N ATOM 202 CA GLU A 748 -8.282 -13.545 10.244 1.00 35.11 C ATOM 203 C GLU A 748 -8.265 -15.044 9.960 1.00 33.32 C ATOM 204 O GLU A 748 -8.764 -15.842 10.754 1.00 13.13 O ATOM 205 CB GLU A 748 -9.616 -12.945 9.792 1.00 45.43 C ATOM 206 CG GLU A 748 -9.610 -11.427 9.729 1.00 4.50 C ATOM 207 CD GLU A 748 -10.783 -10.808 10.463 1.00 1.23 C ATOM 208 OE1 GLU A 748 -10.854 -10.959 11.701 1.00 40.40 O ATOM 209 OE2 GLU A 748 -11.630 -10.174 9.800 1.00 52.30 O1- ATOM 0 H GLU A 748 -7.398 -12.509 8.650 1.00 5.41 H new ATOM 0 HA GLU A 748 -8.169 -13.394 11.318 1.00 35.11 H new ATOM 0 HB2 GLU A 748 -9.868 -13.340 8.808 1.00 45.43 H new ATOM 0 HB3 GLU A 748 -10.401 -13.269 10.476 1.00 45.43 H new ATOM 0 HG2 GLU A 748 -8.680 -11.053 10.157 1.00 4.50 H new ATOM 0 HG3 GLU A 748 -9.631 -11.110 8.686 1.00 4.50 H new ATOM 216 N ILE A 749 -7.688 -15.419 8.825 1.00 71.35 N ATOM 217 CA ILE A 749 -7.605 -16.822 8.437 1.00 40.15 C ATOM 218 C ILE A 749 -6.441 -17.517 9.135 1.00 71.33 C ATOM 219 O ILE A 749 -6.212 -18.711 8.941 1.00 35.42 O ATOM 220 CB ILE A 749 -7.441 -16.976 6.912 1.00 4.14 C ATOM 221 CG1 ILE A 749 -8.391 -16.028 6.177 1.00 72.41 C ATOM 222 CG2 ILE A 749 -7.693 -18.417 6.496 1.00 53.22 C ATOM 223 CD1 ILE A 749 -8.292 -16.123 4.671 1.00 41.35 C ATOM 0 H ILE A 749 -7.270 -14.771 8.157 1.00 71.35 H new ATOM 0 HA ILE A 749 -8.541 -17.290 8.743 1.00 40.15 H new ATOM 0 HB ILE A 749 -6.418 -16.715 6.642 1.00 4.14 H new ATOM 0 HG12 ILE A 749 -9.415 -16.245 6.480 1.00 72.41 H new ATOM 0 HG13 ILE A 749 -8.178 -15.004 6.483 1.00 72.41 H new ATOM 0 HG21 ILE A 749 -7.574 -18.510 5.417 1.00 53.22 H new ATOM 0 HG22 ILE A 749 -6.980 -19.071 6.998 1.00 53.22 H new ATOM 0 HG23 ILE A 749 -8.707 -18.704 6.775 1.00 53.22 H new ATOM 0 HD11 ILE A 749 -8.993 -15.424 4.215 1.00 41.35 H new ATOM 0 HD12 ILE A 749 -7.278 -15.877 4.357 1.00 41.35 H new ATOM 0 HD13 ILE A 749 -8.534 -17.137 4.354 1.00 41.35 H new ATOM 235 N ILE A 750 -5.710 -16.763 9.947 1.00 1.13 N ATOM 236 CA ILE A 750 -4.571 -17.308 10.676 1.00 1.43 C ATOM 237 C ILE A 750 -4.973 -17.733 12.084 1.00 21.21 C ATOM 238 O ILE A 750 -4.427 -18.690 12.635 1.00 20.43 O ATOM 239 CB ILE A 750 -3.422 -16.287 10.769 1.00 65.00 C ATOM 240 CG1 ILE A 750 -3.124 -15.694 9.390 1.00 33.33 C ATOM 241 CG2 ILE A 750 -2.177 -16.943 11.349 1.00 50.10 C ATOM 242 CD1 ILE A 750 -2.051 -14.629 9.409 1.00 12.44 C ATOM 0 H ILE A 750 -5.885 -15.773 10.117 1.00 1.13 H new ATOM 0 HA ILE A 750 -4.227 -18.180 10.119 1.00 1.43 H new ATOM 0 HB ILE A 750 -3.727 -15.478 11.433 1.00 65.00 H new ATOM 0 HG12 ILE A 750 -2.817 -16.495 8.718 1.00 33.33 H new ATOM 0 HG13 ILE A 750 -4.040 -15.268 8.981 1.00 33.33 H new ATOM 0 HG21 ILE A 750 -1.373 -16.209 11.409 1.00 50.10 H new ATOM 0 HG22 ILE A 750 -2.397 -17.322 12.347 1.00 50.10 H new ATOM 0 HG23 ILE A 750 -1.868 -17.768 10.707 1.00 50.10 H new ATOM 0 HD11 ILE A 750 -1.893 -14.254 8.398 1.00 12.44 H new ATOM 0 HD12 ILE A 750 -2.364 -13.809 10.055 1.00 12.44 H new ATOM 0 HD13 ILE A 750 -1.122 -15.055 9.788 1.00 12.44 H new ATOM 254 N LEU A 751 -5.932 -17.017 12.662 1.00 30.30 N ATOM 255 CA LEU A 751 -6.409 -17.321 14.006 1.00 55.14 C ATOM 256 C LEU A 751 -7.509 -18.377 13.967 1.00 51.30 C ATOM 257 O LEU A 751 -7.720 -19.105 14.937 1.00 23.13 O ATOM 258 CB LEU A 751 -6.928 -16.052 14.684 1.00 40.15 C ATOM 259 CG LEU A 751 -7.547 -16.236 16.069 1.00 34.15 C ATOM 260 CD1 LEU A 751 -6.593 -16.985 16.986 1.00 42.33 C ATOM 261 CD2 LEU A 751 -7.919 -14.888 16.670 1.00 31.54 C ATOM 0 H LEU A 751 -6.394 -16.222 12.220 1.00 30.30 H new ATOM 0 HA LEU A 751 -5.572 -17.716 14.581 1.00 55.14 H new ATOM 0 HB2 LEU A 751 -6.102 -15.346 14.768 1.00 40.15 H new ATOM 0 HB3 LEU A 751 -7.673 -15.595 14.033 1.00 40.15 H new ATOM 0 HG LEU A 751 -8.456 -16.828 15.963 1.00 34.15 H new ATOM 0 HD11 LEU A 751 -7.052 -17.106 17.967 1.00 42.33 H new ATOM 0 HD12 LEU A 751 -6.377 -17.966 16.563 1.00 42.33 H new ATOM 0 HD13 LEU A 751 -5.666 -16.420 17.086 1.00 42.33 H new ATOM 0 HD21 LEU A 751 -8.358 -15.038 17.656 1.00 31.54 H new ATOM 0 HD22 LEU A 751 -7.025 -14.271 16.761 1.00 31.54 H new ATOM 0 HD23 LEU A 751 -8.640 -14.388 16.024 1.00 31.54 H new ATOM 273 N ASP A 752 -8.207 -18.456 12.840 1.00 43.23 N ATOM 274 CA ASP A 752 -9.284 -19.425 12.672 1.00 11.32 C ATOM 275 C ASP A 752 -8.742 -20.756 12.162 1.00 62.41 C ATOM 276 O ASP A 752 -9.383 -21.797 12.313 1.00 21.34 O ATOM 277 CB ASP A 752 -10.339 -18.885 11.706 1.00 41.03 C ATOM 278 CG ASP A 752 -11.581 -18.390 12.421 1.00 63.21 C ATOM 279 OD1 ASP A 752 -11.991 -17.238 12.170 1.00 43.54 O ATOM 280 OD2 ASP A 752 -12.143 -19.156 13.232 1.00 64.22 O1- ATOM 0 H ASP A 752 -8.046 -17.860 12.028 1.00 43.23 H new ATOM 0 HA ASP A 752 -9.746 -19.591 13.645 1.00 11.32 H new ATOM 0 HB2 ASP A 752 -9.910 -18.070 11.123 1.00 41.03 H new ATOM 0 HB3 ASP A 752 -10.617 -19.669 11.002 1.00 41.03 H new ATOM 285 N ILE A 753 -7.559 -20.716 11.557 1.00 54.51 N ATOM 286 CA ILE A 753 -6.933 -21.919 11.025 1.00 44.12 C ATOM 287 C ILE A 753 -6.163 -22.664 12.111 1.00 44.53 C ATOM 288 O ILE A 753 -6.003 -23.882 12.046 1.00 1.42 O ATOM 289 CB ILE A 753 -5.973 -21.588 9.866 1.00 20.31 C ATOM 290 CG1 ILE A 753 -5.502 -22.873 9.183 1.00 73.44 C ATOM 291 CG2 ILE A 753 -4.785 -20.786 10.375 1.00 24.21 C ATOM 292 CD1 ILE A 753 -4.714 -22.630 7.915 1.00 54.05 C ATOM 0 H ILE A 753 -7.016 -19.863 11.423 1.00 54.51 H new ATOM 0 HA ILE A 753 -7.736 -22.554 10.651 1.00 44.12 H new ATOM 0 HB ILE A 753 -6.507 -20.984 9.133 1.00 20.31 H new ATOM 0 HG12 ILE A 753 -4.886 -23.441 9.881 1.00 73.44 H new ATOM 0 HG13 ILE A 753 -6.370 -23.490 8.949 1.00 73.44 H new ATOM 0 HG21 ILE A 753 -4.116 -20.560 9.545 1.00 24.21 H new ATOM 0 HG22 ILE A 753 -5.138 -19.856 10.820 1.00 24.21 H new ATOM 0 HG23 ILE A 753 -4.249 -21.367 11.125 1.00 24.21 H new ATOM 0 HD11 ILE A 753 -4.413 -23.585 7.485 1.00 54.05 H new ATOM 0 HD12 ILE A 753 -5.334 -22.089 7.200 1.00 54.05 H new ATOM 0 HD13 ILE A 753 -3.827 -22.040 8.145 1.00 54.05 H new ATOM 304 N GLU A 754 -5.690 -21.923 13.108 1.00 50.01 N ATOM 305 CA GLU A 754 -4.938 -22.514 14.208 1.00 32.21 C ATOM 306 C GLU A 754 -5.877 -23.161 15.223 1.00 3.51 C ATOM 307 O GLU A 754 -5.502 -24.108 15.913 1.00 0.45 O ATOM 308 CB GLU A 754 -4.078 -21.452 14.896 1.00 0.14 C ATOM 309 CG GLU A 754 -3.353 -21.962 16.129 1.00 5.14 C ATOM 310 CD GLU A 754 -1.985 -21.331 16.305 1.00 64.03 C ATOM 311 OE1 GLU A 754 -1.925 -20.151 16.709 1.00 3.22 O ATOM 312 OE2 GLU A 754 -0.975 -22.015 16.038 1.00 60.50 O1- ATOM 0 H GLU A 754 -5.814 -20.913 13.176 1.00 50.01 H new ATOM 0 HA GLU A 754 -4.288 -23.286 13.797 1.00 32.21 H new ATOM 0 HB2 GLU A 754 -3.345 -21.073 14.184 1.00 0.14 H new ATOM 0 HB3 GLU A 754 -4.711 -20.611 15.179 1.00 0.14 H new ATOM 0 HG2 GLU A 754 -3.959 -21.759 17.012 1.00 5.14 H new ATOM 0 HG3 GLU A 754 -3.243 -23.044 16.060 1.00 5.14 H new ATOM 319 N GLN A 755 -7.096 -22.640 15.307 1.00 52.51 N ATOM 320 CA GLN A 755 -8.088 -23.164 16.239 1.00 53.11 C ATOM 321 C GLN A 755 -8.439 -24.610 15.902 1.00 53.53 C ATOM 322 O GLN A 755 -8.821 -25.386 16.777 1.00 42.10 O ATOM 323 CB GLN A 755 -9.351 -22.301 16.213 1.00 25.30 C ATOM 324 CG GLN A 755 -9.318 -21.145 17.201 1.00 62.41 C ATOM 325 CD GLN A 755 -10.033 -19.914 16.682 1.00 13.55 C ATOM 326 OE1 GLN A 755 -9.529 -18.796 16.793 1.00 62.50 O ATOM 327 NE2 GLN A 755 -11.216 -20.112 16.112 1.00 72.10 N ATOM 0 H GLN A 755 -7.421 -21.856 14.742 1.00 52.51 H new ATOM 0 HA GLN A 755 -7.659 -23.136 17.241 1.00 53.11 H new ATOM 0 HB2 GLN A 755 -9.490 -21.905 15.207 1.00 25.30 H new ATOM 0 HB3 GLN A 755 -10.215 -22.929 16.430 1.00 25.30 H new ATOM 0 HG2 GLN A 755 -9.778 -21.460 18.138 1.00 62.41 H new ATOM 0 HG3 GLN A 755 -8.281 -20.892 17.424 1.00 62.41 H new ATOM 0 HE21 GLN A 755 -11.596 -21.056 16.041 1.00 72.10 H new ATOM 0 HE22 GLN A 755 -11.744 -19.320 15.745 1.00 72.10 H new ATOM 336 N ASN A 756 -8.309 -24.964 14.628 1.00 62.13 N ATOM 337 CA ASN A 756 -8.614 -26.317 14.175 1.00 3.34 C ATOM 338 C ASN A 756 -7.786 -27.346 14.941 1.00 51.44 C ATOM 339 O ASN A 756 -8.175 -28.507 15.055 1.00 21.43 O ATOM 340 CB ASN A 756 -8.348 -26.447 12.674 1.00 10.23 C ATOM 341 CG ASN A 756 -9.053 -27.642 12.064 1.00 31.53 C ATOM 342 OD1 ASN A 756 -9.496 -28.545 12.775 1.00 60.34 O ATOM 343 ND2 ASN A 756 -9.162 -27.653 10.740 1.00 24.43 N ATOM 0 H ASN A 756 -7.995 -24.333 13.891 1.00 62.13 H new ATOM 0 HA ASN A 756 -9.669 -26.509 14.368 1.00 3.34 H new ATOM 0 HB2 ASN A 756 -8.676 -25.538 12.169 1.00 10.23 H new ATOM 0 HB3 ASN A 756 -7.275 -26.536 12.504 1.00 10.23 H new ATOM 0 HD21 ASN A 756 -9.628 -28.431 10.273 1.00 24.43 H new ATOM 0 HD22 ASN A 756 -8.780 -26.883 10.190 1.00 24.43 H new ATOM 350 N ASN A 757 -6.645 -26.909 15.463 1.00 51.32 N ATOM 351 CA ASN A 757 -5.763 -27.791 16.218 1.00 62.44 C ATOM 352 C ASN A 757 -6.083 -27.737 17.708 1.00 73.35 C ATOM 353 O ASN A 757 -6.154 -28.768 18.377 1.00 21.45 O ATOM 354 CB ASN A 757 -4.301 -27.406 15.985 1.00 42.01 C ATOM 355 CG ASN A 757 -3.378 -28.610 15.983 1.00 31.03 C ATOM 356 OD1 ASN A 757 -3.819 -29.742 15.788 1.00 63.50 O ATOM 357 ND2 ASN A 757 -2.091 -28.368 16.203 1.00 35.25 N ATOM 0 H ASN A 757 -6.309 -25.950 15.377 1.00 51.32 H new ATOM 0 HA ASN A 757 -5.924 -28.810 15.867 1.00 62.44 H new ATOM 0 HB2 ASN A 757 -4.213 -26.883 15.033 1.00 42.01 H new ATOM 0 HB3 ASN A 757 -3.984 -26.710 16.761 1.00 42.01 H new ATOM 0 HD21 ASN A 757 -1.422 -29.138 16.215 1.00 35.25 H new ATOM 0 HD22 ASN A 757 -1.771 -27.412 16.360 1.00 35.25 H new ATOM 364 N VAL A 758 -6.279 -26.527 18.222 1.00 12.42 N ATOM 365 CA VAL A 758 -6.594 -26.337 19.633 1.00 11.32 C ATOM 366 C VAL A 758 -7.893 -27.044 20.006 1.00 43.35 C ATOM 367 O VAL A 758 -8.105 -27.401 21.164 1.00 50.31 O ATOM 368 CB VAL A 758 -6.716 -24.843 19.985 1.00 51.23 C ATOM 369 CG1 VAL A 758 -6.994 -24.664 21.469 1.00 42.21 C ATOM 370 CG2 VAL A 758 -5.456 -24.094 19.576 1.00 20.41 C ATOM 0 H VAL A 758 -6.225 -25.663 17.682 1.00 12.42 H new ATOM 0 HA VAL A 758 -5.771 -26.770 20.202 1.00 11.32 H new ATOM 0 HB VAL A 758 -7.556 -24.425 19.430 1.00 51.23 H new ATOM 0 HG11 VAL A 758 -7.077 -23.602 21.698 1.00 42.21 H new ATOM 0 HG12 VAL A 758 -7.927 -25.165 21.727 1.00 42.21 H new ATOM 0 HG13 VAL A 758 -6.178 -25.097 22.047 1.00 42.21 H new ATOM 0 HG21 VAL A 758 -5.560 -23.040 19.832 1.00 20.41 H new ATOM 0 HG22 VAL A 758 -4.597 -24.512 20.101 1.00 20.41 H new ATOM 0 HG23 VAL A 758 -5.307 -24.193 18.501 1.00 20.41 H new ATOM 380 N GLN A 759 -8.757 -27.242 19.016 1.00 40.34 N ATOM 381 CA GLN A 759 -10.036 -27.906 19.240 1.00 5.52 C ATOM 382 C GLN A 759 -9.943 -29.392 18.911 1.00 63.12 C ATOM 383 O GLN A 759 -10.941 -30.026 18.571 1.00 23.11 O ATOM 384 CB GLN A 759 -11.130 -27.251 18.395 1.00 51.24 C ATOM 385 CG GLN A 759 -12.302 -26.732 19.212 1.00 50.31 C ATOM 386 CD GLN A 759 -12.664 -25.301 18.868 1.00 15.21 C ATOM 387 OE1 GLN A 759 -11.790 -24.466 18.633 1.00 54.14 O ATOM 388 NE2 GLN A 759 -13.959 -25.009 18.839 1.00 40.35 N ATOM 0 H GLN A 759 -8.595 -26.952 18.051 1.00 40.34 H new ATOM 0 HA GLN A 759 -10.291 -27.802 20.295 1.00 5.52 H new ATOM 0 HB2 GLN A 759 -10.696 -26.425 17.832 1.00 51.24 H new ATOM 0 HB3 GLN A 759 -11.497 -27.975 17.667 1.00 51.24 H new ATOM 0 HG2 GLN A 759 -13.168 -27.372 19.045 1.00 50.31 H new ATOM 0 HG3 GLN A 759 -12.058 -26.796 20.272 1.00 50.31 H new ATOM 0 HE21 GLN A 759 -14.650 -25.732 19.040 1.00 40.35 H new ATOM 0 HE22 GLN A 759 -14.263 -24.061 18.615 1.00 40.35 H new ATOM 397 N GLY A 760 -8.736 -29.941 19.013 1.00 53.25 N ATOM 398 CA GLY A 760 -8.535 -31.348 18.721 1.00 32.30 C ATOM 399 C GLY A 760 -7.338 -31.927 19.451 1.00 53.33 C ATOM 400 O GLY A 760 -6.813 -32.972 19.068 1.00 71.03 O ATOM 0 H GLY A 760 -7.895 -29.437 19.292 1.00 53.25 H new ATOM 0 HA2 GLY A 760 -9.430 -31.905 18.998 1.00 32.30 H new ATOM 0 HA3 GLY A 760 -8.399 -31.477 17.647 1.00 32.30 H new ATOM 404 N LYS A 761 -6.904 -31.244 20.505 1.00 75.43 N ATOM 405 CA LYS A 761 -5.762 -31.695 21.291 1.00 41.42 C ATOM 406 C LYS A 761 -6.176 -32.777 22.282 1.00 63.23 C ATOM 407 O LYS A 761 -5.405 -33.690 22.579 1.00 51.15 O ATOM 408 CB LYS A 761 -5.135 -30.516 22.039 1.00 71.00 C ATOM 409 CG LYS A 761 -4.463 -29.504 21.127 1.00 73.33 C ATOM 410 CD LYS A 761 -3.353 -28.756 21.844 1.00 70.11 C ATOM 411 CE LYS A 761 -3.462 -27.254 21.630 1.00 70.01 C ATOM 412 NZ LYS A 761 -2.597 -26.494 22.574 1.00 34.20 N1+ ATOM 0 H LYS A 761 -7.326 -30.376 20.834 1.00 75.43 H new ATOM 0 HA LYS A 761 -5.026 -32.117 20.607 1.00 41.42 H new ATOM 0 HB2 LYS A 761 -5.908 -30.012 22.619 1.00 71.00 H new ATOM 0 HB3 LYS A 761 -4.401 -30.896 22.749 1.00 71.00 H new ATOM 0 HG2 LYS A 761 -4.054 -30.014 20.255 1.00 73.33 H new ATOM 0 HG3 LYS A 761 -5.205 -28.793 20.762 1.00 73.33 H new ATOM 0 HD2 LYS A 761 -3.395 -28.976 22.911 1.00 70.11 H new ATOM 0 HD3 LYS A 761 -2.386 -29.106 21.484 1.00 70.11 H new ATOM 0 HE2 LYS A 761 -3.181 -27.012 20.605 1.00 70.01 H new ATOM 0 HE3 LYS A 761 -4.499 -26.943 21.758 1.00 70.01 H new ATOM 0 HZ1 LYS A 761 -2.700 -25.475 22.395 1.00 34.20 H new ATOM 0 HZ2 LYS A 761 -2.881 -26.705 23.552 1.00 34.20 H new ATOM 0 HZ3 LYS A 761 -1.604 -26.771 22.435 1.00 34.20 H new ATOM 426 N THR A 762 -7.399 -32.670 22.791 1.00 71.51 N ATOM 427 CA THR A 762 -7.916 -33.640 23.748 1.00 12.03 C ATOM 428 C THR A 762 -8.745 -34.713 23.052 1.00 63.54 C ATOM 429 O THR A 762 -9.649 -35.298 23.646 1.00 4.23 O ATOM 430 CB THR A 762 -8.781 -32.959 24.826 1.00 33.43 C ATOM 431 OG1 THR A 762 -8.209 -31.698 25.189 1.00 33.30 O ATOM 432 CG2 THR A 762 -8.902 -33.841 26.060 1.00 71.53 C ATOM 0 H THR A 762 -8.050 -31.921 22.556 1.00 71.51 H new ATOM 0 HA THR A 762 -7.052 -34.104 24.224 1.00 12.03 H new ATOM 0 HB THR A 762 -9.777 -32.800 24.414 1.00 33.43 H new ATOM 0 HG1 THR A 762 -8.766 -31.271 25.873 1.00 33.30 H new ATOM 0 HG21 THR A 762 -9.517 -33.339 26.807 1.00 71.53 H new ATOM 0 HG22 THR A 762 -9.365 -34.789 25.786 1.00 71.53 H new ATOM 0 HG23 THR A 762 -7.910 -34.028 26.472 1.00 71.53 H new ATOM 440 N GLY A 763 -8.428 -34.969 21.785 1.00 32.34 N ATOM 441 CA GLY A 763 -9.153 -35.974 21.028 1.00 4.25 C ATOM 442 C GLY A 763 -10.609 -35.606 20.824 1.00 63.51 C ATOM 443 O GLY A 763 -11.479 -36.478 20.804 1.00 22.21 O ATOM 0 H GLY A 763 -7.683 -34.499 21.270 1.00 32.34 H new ATOM 0 HA2 GLY A 763 -8.676 -36.108 20.057 1.00 4.25 H new ATOM 0 HA3 GLY A 763 -9.092 -36.930 21.548 1.00 4.25 H new ATOM 447 N ILE A 764 -10.876 -34.314 20.672 1.00 33.03 N ATOM 448 CA ILE A 764 -12.237 -33.834 20.468 1.00 12.02 C ATOM 449 C ILE A 764 -12.327 -32.939 19.238 1.00 44.13 C ATOM 450 O ILE A 764 -12.915 -31.860 19.285 1.00 50.54 O ATOM 451 CB ILE A 764 -12.748 -33.054 21.694 1.00 21.12 C ATOM 452 CG1 ILE A 764 -11.766 -31.940 22.063 1.00 62.11 C ATOM 453 CG2 ILE A 764 -12.957 -33.995 22.872 1.00 50.44 C ATOM 454 CD1 ILE A 764 -12.252 -31.055 23.189 1.00 70.01 C ATOM 0 H ILE A 764 -10.168 -33.580 20.686 1.00 33.03 H new ATOM 0 HA ILE A 764 -12.862 -34.714 20.320 1.00 12.02 H new ATOM 0 HB ILE A 764 -13.706 -32.599 21.443 1.00 21.12 H new ATOM 0 HG12 ILE A 764 -10.813 -32.386 22.348 1.00 62.11 H new ATOM 0 HG13 ILE A 764 -11.579 -31.325 21.183 1.00 62.11 H new ATOM 0 HG21 ILE A 764 -13.318 -33.429 23.730 1.00 50.44 H new ATOM 0 HG22 ILE A 764 -13.691 -34.756 22.604 1.00 50.44 H new ATOM 0 HG23 ILE A 764 -12.012 -34.476 23.126 1.00 50.44 H new ATOM 0 HD11 ILE A 764 -11.506 -30.288 23.397 1.00 70.01 H new ATOM 0 HD12 ILE A 764 -13.190 -30.580 22.900 1.00 70.01 H new ATOM 0 HD13 ILE A 764 -12.411 -31.658 24.083 1.00 70.01 H new ATOM 466 N GLN A 765 -11.740 -33.396 18.136 1.00 24.52 N ATOM 467 CA GLN A 765 -11.754 -32.637 16.891 1.00 63.11 C ATOM 468 C GLN A 765 -13.178 -32.260 16.500 1.00 54.04 C ATOM 469 O GLN A 765 -13.416 -31.187 15.947 1.00 73.41 O ATOM 470 CB GLN A 765 -11.101 -33.445 15.769 1.00 45.21 C ATOM 471 CG GLN A 765 -11.547 -34.898 15.726 1.00 64.03 C ATOM 472 CD GLN A 765 -10.493 -35.847 16.260 1.00 73.31 C ATOM 473 OE1 GLN A 765 -10.761 -36.649 17.156 1.00 71.45 O ATOM 474 NE2 GLN A 765 -9.287 -35.763 15.712 1.00 22.03 N ATOM 0 H GLN A 765 -11.249 -34.288 18.080 1.00 24.52 H new ATOM 0 HA GLN A 765 -11.185 -31.721 17.047 1.00 63.11 H new ATOM 0 HB2 GLN A 765 -11.331 -32.975 14.813 1.00 45.21 H new ATOM 0 HB3 GLN A 765 -10.018 -33.409 15.890 1.00 45.21 H new ATOM 0 HG2 GLN A 765 -12.461 -35.011 16.309 1.00 64.03 H new ATOM 0 HG3 GLN A 765 -11.788 -35.170 14.698 1.00 64.03 H new ATOM 0 HE21 GLN A 765 -9.109 -35.084 14.972 1.00 22.03 H new ATOM 0 HE22 GLN A 765 -8.538 -36.378 16.031 1.00 22.03 H new ATOM 483 N GLN A 766 -14.122 -33.150 16.791 1.00 34.42 N ATOM 484 CA GLN A 766 -15.523 -32.912 16.468 1.00 54.54 C ATOM 485 C GLN A 766 -16.019 -31.622 17.115 1.00 12.43 C ATOM 486 O GLN A 766 -17.003 -31.029 16.669 1.00 4.02 O ATOM 487 CB GLN A 766 -16.383 -34.089 16.928 1.00 32.40 C ATOM 488 CG GLN A 766 -17.691 -34.223 16.165 1.00 52.30 C ATOM 489 CD GLN A 766 -18.871 -34.505 17.074 1.00 41.50 C ATOM 490 OE1 GLN A 766 -19.830 -33.734 17.123 1.00 32.21 O ATOM 491 NE2 GLN A 766 -18.807 -35.615 17.801 1.00 11.43 N ATOM 0 H GLN A 766 -13.941 -34.043 17.250 1.00 34.42 H new ATOM 0 HA GLN A 766 -15.607 -32.811 15.386 1.00 54.54 H new ATOM 0 HB2 GLN A 766 -15.812 -35.011 16.817 1.00 32.40 H new ATOM 0 HB3 GLN A 766 -16.602 -33.975 17.990 1.00 32.40 H new ATOM 0 HG2 GLN A 766 -17.878 -33.305 15.608 1.00 52.30 H new ATOM 0 HG3 GLN A 766 -17.600 -35.027 15.434 1.00 52.30 H new ATOM 0 HE21 GLN A 766 -17.993 -36.226 17.729 1.00 11.43 H new ATOM 0 HE22 GLN A 766 -19.572 -35.857 18.431 1.00 11.43 H new ATOM 500 N LEU A 767 -15.332 -31.193 18.169 1.00 42.12 N ATOM 501 CA LEU A 767 -15.703 -29.973 18.878 1.00 3.15 C ATOM 502 C LEU A 767 -15.913 -28.819 17.903 1.00 33.02 C ATOM 503 O LEU A 767 -16.927 -28.124 17.961 1.00 4.42 O ATOM 504 CB LEU A 767 -14.622 -29.605 19.897 1.00 71.32 C ATOM 505 CG LEU A 767 -14.999 -28.527 20.914 1.00 42.41 C ATOM 506 CD1 LEU A 767 -16.088 -29.030 21.847 1.00 11.12 C ATOM 507 CD2 LEU A 767 -13.775 -28.090 21.705 1.00 10.11 C ATOM 0 H LEU A 767 -14.516 -31.671 18.551 1.00 42.12 H new ATOM 0 HA LEU A 767 -16.641 -30.156 19.402 1.00 3.15 H new ATOM 0 HB2 LEU A 767 -14.341 -30.507 20.441 1.00 71.32 H new ATOM 0 HB3 LEU A 767 -13.738 -29.271 19.354 1.00 71.32 H new ATOM 0 HG LEU A 767 -15.385 -27.663 20.373 1.00 42.41 H new ATOM 0 HD11 LEU A 767 -16.343 -28.249 22.563 1.00 11.12 H new ATOM 0 HD12 LEU A 767 -16.972 -29.292 21.266 1.00 11.12 H new ATOM 0 HD13 LEU A 767 -15.731 -29.910 22.382 1.00 11.12 H new ATOM 0 HD21 LEU A 767 -14.061 -27.323 22.424 1.00 10.11 H new ATOM 0 HD22 LEU A 767 -13.359 -28.947 22.235 1.00 10.11 H new ATOM 0 HD23 LEU A 767 -13.026 -27.687 21.023 1.00 10.11 H new ATOM 519 N GLN A 768 -14.950 -28.623 17.009 1.00 63.10 N ATOM 520 CA GLN A 768 -15.032 -27.554 16.021 1.00 44.24 C ATOM 521 C GLN A 768 -15.685 -28.050 14.735 1.00 64.52 C ATOM 522 O GLN A 768 -16.046 -27.259 13.864 1.00 51.55 O ATOM 523 CB GLN A 768 -13.638 -27.002 15.720 1.00 44.23 C ATOM 524 CG GLN A 768 -12.752 -27.970 14.952 1.00 31.53 C ATOM 525 CD GLN A 768 -12.599 -27.591 13.493 1.00 30.53 C ATOM 526 OE1 GLN A 768 -12.861 -28.397 12.599 1.00 15.10 O ATOM 527 NE2 GLN A 768 -12.173 -26.359 13.243 1.00 34.11 N ATOM 0 H GLN A 768 -14.104 -29.190 16.948 1.00 63.10 H new ATOM 0 HA GLN A 768 -15.649 -26.757 16.435 1.00 44.24 H new ATOM 0 HB2 GLN A 768 -13.737 -26.081 15.146 1.00 44.23 H new ATOM 0 HB3 GLN A 768 -13.149 -26.742 16.659 1.00 44.23 H new ATOM 0 HG2 GLN A 768 -11.768 -28.004 15.419 1.00 31.53 H new ATOM 0 HG3 GLN A 768 -13.172 -28.973 15.020 1.00 31.53 H new ATOM 0 HE21 GLN A 768 -11.968 -25.724 14.014 1.00 34.11 H new ATOM 0 HE22 GLN A 768 -12.051 -26.047 12.280 1.00 34.11 H new ATOM 536 N LYS A 769 -15.832 -29.366 14.622 1.00 61.42 N ATOM 537 CA LYS A 769 -16.442 -29.969 13.442 1.00 44.22 C ATOM 538 C LYS A 769 -17.961 -30.005 13.573 1.00 5.25 C ATOM 539 O LYS A 769 -18.671 -30.268 12.603 1.00 42.10 O ATOM 540 CB LYS A 769 -15.904 -31.386 13.233 1.00 23.31 C ATOM 541 CG LYS A 769 -15.474 -31.670 11.804 1.00 44.34 C ATOM 542 CD LYS A 769 -16.509 -32.501 11.065 1.00 73.21 C ATOM 543 CE LYS A 769 -16.483 -32.222 9.569 1.00 30.53 C ATOM 544 NZ LYS A 769 -16.593 -33.474 8.771 1.00 21.52 N1+ ATOM 0 H LYS A 769 -15.537 -30.035 15.333 1.00 61.42 H new ATOM 0 HA LYS A 769 -16.184 -29.357 12.577 1.00 44.22 H new ATOM 0 HB2 LYS A 769 -15.054 -31.544 13.897 1.00 23.31 H new ATOM 0 HB3 LYS A 769 -16.672 -32.103 13.521 1.00 23.31 H new ATOM 0 HG2 LYS A 769 -15.317 -30.729 11.276 1.00 44.34 H new ATOM 0 HG3 LYS A 769 -14.519 -32.196 11.808 1.00 44.34 H new ATOM 0 HD2 LYS A 769 -16.321 -33.560 11.242 1.00 73.21 H new ATOM 0 HD3 LYS A 769 -17.501 -32.283 11.460 1.00 73.21 H new ATOM 0 HE2 LYS A 769 -17.303 -31.553 9.310 1.00 30.53 H new ATOM 0 HE3 LYS A 769 -15.558 -31.707 9.311 1.00 30.53 H new ATOM 0 HZ1 LYS A 769 -16.572 -33.243 7.757 1.00 21.52 H new ATOM 0 HZ2 LYS A 769 -15.796 -34.102 9.000 1.00 21.52 H new ATOM 0 HZ3 LYS A 769 -17.488 -33.953 8.998 1.00 21.52 H new ATOM 558 N TRP A 770 -18.452 -29.737 14.777 1.00 34.21 N ATOM 559 CA TRP A 770 -19.888 -29.738 15.035 1.00 70.14 C ATOM 560 C TRP A 770 -20.641 -29.020 13.920 1.00 5.41 C ATOM 561 O TRP A 770 -20.901 -29.595 12.864 1.00 13.40 O ATOM 562 CB TRP A 770 -20.186 -29.074 16.379 1.00 14.00 C ATOM 563 CG TRP A 770 -19.426 -27.800 16.594 1.00 13.33 C ATOM 564 CD1 TRP A 770 -18.583 -27.191 15.711 1.00 42.55 C ATOM 565 CD2 TRP A 770 -19.440 -26.982 17.769 1.00 33.32 C ATOM 566 NE1 TRP A 770 -18.070 -26.042 16.266 1.00 11.12 N ATOM 567 CE2 TRP A 770 -18.582 -25.892 17.528 1.00 2.33 C ATOM 568 CE3 TRP A 770 -20.095 -27.064 19.001 1.00 14.44 C ATOM 569 CZ2 TRP A 770 -18.363 -24.894 18.473 1.00 12.13 C ATOM 570 CZ3 TRP A 770 -19.876 -26.072 19.938 1.00 34.42 C ATOM 571 CH2 TRP A 770 -19.017 -24.999 19.670 1.00 13.52 C ATOM 0 H TRP A 770 -17.878 -29.516 15.590 1.00 34.21 H new ATOM 0 HA TRP A 770 -20.226 -30.774 15.068 1.00 70.14 H new ATOM 0 HB2 TRP A 770 -21.254 -28.867 16.445 1.00 14.00 H new ATOM 0 HB3 TRP A 770 -19.946 -29.771 17.182 1.00 14.00 H new ATOM 0 HD1 TRP A 770 -18.352 -27.557 14.722 1.00 42.55 H new ATOM 0 HE1 TRP A 770 -17.415 -25.405 15.812 1.00 11.12 H new ATOM 0 HE3 TRP A 770 -20.760 -27.887 19.217 1.00 14.44 H new ATOM 0 HZ2 TRP A 770 -17.700 -24.066 18.269 1.00 12.13 H new ATOM 0 HZ3 TRP A 770 -20.376 -26.125 20.894 1.00 34.42 H new ATOM 0 HH2 TRP A 770 -18.868 -24.239 20.423 1.00 13.52 H new ATOM 582 N GLU A 771 -20.987 -27.759 14.162 1.00 4.43 N ATOM 583 CA GLU A 771 -21.709 -26.963 13.178 1.00 13.33 C ATOM 584 C GLU A 771 -20.960 -26.928 11.849 1.00 22.24 C ATOM 585 O GLU A 771 -21.515 -26.541 10.821 1.00 62.01 O ATOM 586 CB GLU A 771 -21.918 -25.538 13.696 1.00 72.32 C ATOM 587 CG GLU A 771 -23.175 -24.873 13.158 1.00 71.23 C ATOM 588 CD GLU A 771 -23.473 -23.553 13.840 1.00 15.50 C ATOM 589 OE1 GLU A 771 -22.561 -22.702 13.911 1.00 21.21 O ATOM 590 OE2 GLU A 771 -24.619 -23.368 14.302 1.00 1.43 O1- ATOM 0 H GLU A 771 -20.779 -27.268 15.031 1.00 4.43 H new ATOM 0 HA GLU A 771 -22.681 -27.429 13.015 1.00 13.33 H new ATOM 0 HB2 GLU A 771 -21.966 -25.560 14.785 1.00 72.32 H new ATOM 0 HB3 GLU A 771 -21.053 -24.932 13.427 1.00 72.32 H new ATOM 0 HG2 GLU A 771 -23.064 -24.707 12.086 1.00 71.23 H new ATOM 0 HG3 GLU A 771 -24.023 -25.546 13.290 1.00 71.23 H new ATOM 597 N ASP A 772 -19.696 -27.335 11.879 1.00 21.02 N ATOM 598 CA ASP A 772 -18.869 -27.352 10.678 1.00 1.21 C ATOM 599 C ASP A 772 -19.585 -28.065 9.536 1.00 62.20 C ATOM 600 O ASP A 772 -19.377 -27.745 8.365 1.00 33.03 O ATOM 601 CB ASP A 772 -17.531 -28.036 10.964 1.00 1.52 C ATOM 602 CG ASP A 772 -16.449 -27.621 9.986 1.00 3.22 C ATOM 603 OD1 ASP A 772 -15.768 -28.515 9.441 1.00 63.31 O ATOM 604 OD2 ASP A 772 -16.283 -26.403 9.766 1.00 2.14 O1- ATOM 0 H ASP A 772 -19.221 -27.658 12.722 1.00 21.02 H new ATOM 0 HA ASP A 772 -18.684 -26.320 10.379 1.00 1.21 H new ATOM 0 HB2 ASP A 772 -17.212 -27.795 11.978 1.00 1.52 H new ATOM 0 HB3 ASP A 772 -17.662 -29.117 10.920 1.00 1.52 H new ATOM 609 N TRP A 773 -20.426 -29.032 9.883 1.00 2.12 N ATOM 610 CA TRP A 773 -21.171 -29.791 8.886 1.00 13.23 C ATOM 611 C TRP A 773 -21.926 -28.859 7.944 1.00 13.44 C ATOM 612 O TRP A 773 -22.178 -29.198 6.788 1.00 22.44 O ATOM 613 CB TRP A 773 -22.151 -30.747 9.571 1.00 62.34 C ATOM 614 CG TRP A 773 -21.513 -31.588 10.635 1.00 75.24 C ATOM 615 CD1 TRP A 773 -20.229 -32.053 10.653 1.00 42.23 C ATOM 616 CD2 TRP A 773 -22.132 -32.066 11.834 1.00 63.31 C ATOM 617 NE1 TRP A 773 -20.013 -32.791 11.791 1.00 64.31 N ATOM 618 CE2 TRP A 773 -21.164 -32.814 12.533 1.00 65.13 C ATOM 619 CE3 TRP A 773 -23.409 -31.934 12.386 1.00 22.23 C ATOM 620 CZ2 TRP A 773 -21.435 -33.426 13.754 1.00 70.44 C ATOM 621 CZ3 TRP A 773 -23.676 -32.543 13.598 1.00 63.13 C ATOM 622 CH2 TRP A 773 -22.693 -33.281 14.271 1.00 2.40 C ATOM 0 H TRP A 773 -20.609 -29.309 10.847 1.00 2.12 H new ATOM 0 HA TRP A 773 -20.458 -30.370 8.299 1.00 13.23 H new ATOM 0 HB2 TRP A 773 -22.963 -30.169 10.013 1.00 62.34 H new ATOM 0 HB3 TRP A 773 -22.596 -31.400 8.820 1.00 62.34 H new ATOM 0 HD1 TRP A 773 -19.492 -31.868 9.886 1.00 42.23 H new ATOM 0 HE1 TRP A 773 -19.137 -33.248 12.043 1.00 64.31 H new ATOM 0 HE3 TRP A 773 -24.173 -31.367 11.875 1.00 22.23 H new ATOM 0 HZ2 TRP A 773 -20.679 -33.995 14.274 1.00 70.44 H new ATOM 0 HZ3 TRP A 773 -24.660 -32.448 14.034 1.00 63.13 H new ATOM 0 HH2 TRP A 773 -22.933 -33.744 15.216 1.00 2.40 H new ATOM 633 N VAL A 774 -22.285 -27.681 8.446 1.00 21.20 N ATOM 634 CA VAL A 774 -23.011 -26.700 7.649 1.00 2.51 C ATOM 635 C VAL A 774 -22.230 -26.326 6.394 1.00 62.44 C ATOM 636 O VAL A 774 -22.801 -25.845 5.415 1.00 22.34 O ATOM 637 CB VAL A 774 -23.300 -25.422 8.458 1.00 13.25 C ATOM 638 CG1 VAL A 774 -22.019 -24.639 8.698 1.00 25.55 C ATOM 639 CG2 VAL A 774 -24.335 -24.563 7.747 1.00 24.34 C ATOM 0 H VAL A 774 -22.085 -27.384 9.401 1.00 21.20 H new ATOM 0 HA VAL A 774 -23.956 -27.162 7.363 1.00 2.51 H new ATOM 0 HB VAL A 774 -23.706 -25.712 9.427 1.00 13.25 H new ATOM 0 HG11 VAL A 774 -22.244 -23.740 9.271 1.00 25.55 H new ATOM 0 HG12 VAL A 774 -21.314 -25.257 9.254 1.00 25.55 H new ATOM 0 HG13 VAL A 774 -21.579 -24.359 7.741 1.00 25.55 H new ATOM 0 HG21 VAL A 774 -24.527 -23.664 8.333 1.00 24.34 H new ATOM 0 HG22 VAL A 774 -23.960 -24.281 6.763 1.00 24.34 H new ATOM 0 HG23 VAL A 774 -25.261 -25.127 7.635 1.00 24.34 H new ATOM 649 N ARG A 775 -20.920 -26.551 6.430 1.00 71.54 N ATOM 650 CA ARG A 775 -20.060 -26.238 5.295 1.00 3.05 C ATOM 651 C ARG A 775 -20.611 -26.848 4.009 1.00 12.13 C ATOM 652 O ARG A 775 -20.371 -26.337 2.916 1.00 64.32 O ATOM 653 CB ARG A 775 -18.640 -26.750 5.548 1.00 71.11 C ATOM 654 CG ARG A 775 -17.583 -26.050 4.710 1.00 30.11 C ATOM 655 CD ARG A 775 -16.429 -25.555 5.569 1.00 74.32 C ATOM 656 NE ARG A 775 -15.177 -25.494 4.821 1.00 21.21 N ATOM 657 CZ ARG A 775 -13.979 -25.480 5.394 1.00 23.21 C ATOM 658 NH1 ARG A 775 -13.872 -25.522 6.715 1.00 20.02 N ATOM 659 NH2 ARG A 775 -12.884 -25.424 4.645 1.00 1.15 N1+ ATOM 0 H ARG A 775 -20.432 -26.949 7.232 1.00 71.54 H new ATOM 0 HA ARG A 775 -20.034 -25.154 5.179 1.00 3.05 H new ATOM 0 HB2 ARG A 775 -18.399 -26.622 6.603 1.00 71.11 H new ATOM 0 HB3 ARG A 775 -18.606 -27.820 5.341 1.00 71.11 H new ATOM 0 HG2 ARG A 775 -17.205 -26.736 3.952 1.00 30.11 H new ATOM 0 HG3 ARG A 775 -18.033 -25.209 4.183 1.00 30.11 H new ATOM 0 HD2 ARG A 775 -16.666 -24.565 5.960 1.00 74.32 H new ATOM 0 HD3 ARG A 775 -16.307 -26.216 6.427 1.00 74.32 H new ATOM 0 HE ARG A 775 -15.225 -25.460 3.803 1.00 21.21 H new ATOM 0 HH11 ARG A 775 -14.711 -25.565 7.294 1.00 20.02 H new ATOM 0 HH12 ARG A 775 -12.951 -25.511 7.153 1.00 20.02 H new ATOM 0 HH21 ARG A 775 -12.962 -25.392 3.629 1.00 1.15 H new ATOM 0 HH22 ARG A 775 -11.964 -25.413 5.086 1.00 1.15 H new ATOM 673 N TRP A 776 -21.350 -27.943 4.150 1.00 2.12 N ATOM 674 CA TRP A 776 -21.935 -28.624 3.001 1.00 41.23 C ATOM 675 C TRP A 776 -22.936 -27.722 2.286 1.00 2.24 C ATOM 676 O TRP A 776 -23.007 -27.710 1.058 1.00 41.24 O ATOM 677 CB TRP A 776 -22.619 -29.918 3.442 1.00 42.24 C ATOM 678 CG TRP A 776 -23.788 -30.294 2.583 1.00 52.32 C ATOM 679 CD1 TRP A 776 -23.788 -30.473 1.229 1.00 22.03 C ATOM 680 CD2 TRP A 776 -25.130 -30.534 3.021 1.00 20.45 C ATOM 681 NE1 TRP A 776 -25.049 -30.811 0.799 1.00 44.23 N ATOM 682 CE2 TRP A 776 -25.890 -30.856 1.879 1.00 5.43 C ATOM 683 CE3 TRP A 776 -25.763 -30.513 4.266 1.00 12.24 C ATOM 684 CZ2 TRP A 776 -27.249 -31.150 1.948 1.00 30.25 C ATOM 685 CZ3 TRP A 776 -27.112 -30.805 4.333 1.00 54.30 C ATOM 686 CH2 TRP A 776 -27.843 -31.121 3.180 1.00 10.23 C ATOM 0 H TRP A 776 -21.558 -28.378 5.049 1.00 2.12 H new ATOM 0 HA TRP A 776 -21.131 -28.866 2.306 1.00 41.23 H new ATOM 0 HB2 TRP A 776 -21.891 -30.729 3.427 1.00 42.24 H new ATOM 0 HB3 TRP A 776 -22.955 -29.810 4.473 1.00 42.24 H new ATOM 0 HD1 TRP A 776 -22.924 -30.365 0.590 1.00 22.03 H new ATOM 0 HE1 TRP A 776 -25.315 -30.998 -0.168 1.00 44.23 H new ATOM 0 HE3 TRP A 776 -25.208 -30.273 5.161 1.00 12.24 H new ATOM 0 HZ2 TRP A 776 -27.814 -31.392 1.060 1.00 30.25 H new ATOM 0 HZ3 TRP A 776 -27.611 -30.789 5.290 1.00 54.30 H new ATOM 0 HH2 TRP A 776 -28.896 -31.346 3.266 1.00 10.23 H new ATOM 697 N ILE A 777 -23.708 -26.971 3.064 1.00 11.01 N ATOM 698 CA ILE A 777 -24.704 -26.066 2.504 1.00 14.32 C ATOM 699 C ILE A 777 -24.144 -24.655 2.354 1.00 21.33 C ATOM 700 O ILE A 777 -24.856 -23.670 2.546 1.00 63.41 O ATOM 701 CB ILE A 777 -25.971 -26.013 3.379 1.00 11.31 C ATOM 702 CG1 ILE A 777 -26.309 -27.407 3.912 1.00 43.21 C ATOM 703 CG2 ILE A 777 -27.139 -25.445 2.586 1.00 32.30 C ATOM 704 CD1 ILE A 777 -27.565 -27.444 4.753 1.00 74.14 C ATOM 0 H ILE A 777 -23.663 -26.971 4.083 1.00 11.01 H new ATOM 0 HA ILE A 777 -24.967 -26.456 1.521 1.00 14.32 H new ATOM 0 HB ILE A 777 -25.781 -25.357 4.228 1.00 11.31 H new ATOM 0 HG12 ILE A 777 -26.424 -28.091 3.071 1.00 43.21 H new ATOM 0 HG13 ILE A 777 -25.472 -27.772 4.507 1.00 43.21 H new ATOM 0 HG21 ILE A 777 -28.027 -25.414 3.218 1.00 32.30 H new ATOM 0 HG22 ILE A 777 -26.896 -24.436 2.252 1.00 32.30 H new ATOM 0 HG23 ILE A 777 -27.332 -26.077 1.719 1.00 32.30 H new ATOM 0 HD11 ILE A 777 -27.743 -28.463 5.097 1.00 74.14 H new ATOM 0 HD12 ILE A 777 -27.446 -26.786 5.614 1.00 74.14 H new ATOM 0 HD13 ILE A 777 -28.413 -27.109 4.155 1.00 74.14 H new ATOM 716 N GLY A 778 -22.863 -24.567 2.009 1.00 13.10 N ATOM 717 CA GLY A 778 -22.229 -23.274 1.837 1.00 1.54 C ATOM 718 C GLY A 778 -22.324 -22.765 0.412 1.00 14.24 C ATOM 719 O GLY A 778 -21.340 -22.290 -0.151 1.00 52.11 O ATOM 0 H GLY A 778 -22.253 -25.368 1.846 1.00 13.10 H new ATOM 0 HA2 GLY A 778 -22.694 -22.553 2.509 1.00 1.54 H new ATOM 0 HA3 GLY A 778 -21.180 -23.346 2.124 1.00 1.54 H new ATOM 723 N ASN A 779 -23.514 -22.868 -0.172 1.00 41.40 N ATOM 724 CA ASN A 779 -23.733 -22.416 -1.542 1.00 14.15 C ATOM 725 C ASN A 779 -25.023 -21.608 -1.647 1.00 74.23 C ATOM 726 O ASN A 779 -25.305 -21.003 -2.681 1.00 45.24 O ATOM 727 CB ASN A 779 -23.789 -23.614 -2.492 1.00 54.12 C ATOM 728 CG ASN A 779 -22.716 -24.642 -2.191 1.00 11.43 C ATOM 729 OD1 ASN A 779 -22.973 -25.647 -1.527 1.00 64.22 O ATOM 730 ND2 ASN A 779 -21.507 -24.394 -2.679 1.00 4.45 N ATOM 0 H ASN A 779 -24.340 -23.260 0.281 1.00 41.40 H new ATOM 0 HA ASN A 779 -22.899 -21.774 -1.826 1.00 14.15 H new ATOM 0 HB2 ASN A 779 -24.769 -24.085 -2.421 1.00 54.12 H new ATOM 0 HB3 ASN A 779 -23.676 -23.266 -3.519 1.00 54.12 H new ATOM 0 HD21 ASN A 779 -20.744 -25.049 -2.509 1.00 4.45 H new ATOM 0 HD22 ASN A 779 -21.341 -23.548 -3.224 1.00 4.45 H new ATOM 737 N ILE A 780 -25.802 -21.602 -0.570 1.00 31.31 N ATOM 738 CA ILE A 780 -27.060 -20.867 -0.542 1.00 13.22 C ATOM 739 C ILE A 780 -26.886 -19.457 -1.096 1.00 61.13 C ATOM 740 O ILE A 780 -25.780 -18.918 -1.153 1.00 42.41 O ATOM 741 CB ILE A 780 -27.627 -20.778 0.887 1.00 15.21 C ATOM 742 CG1 ILE A 780 -29.011 -21.428 0.952 1.00 61.14 C ATOM 743 CG2 ILE A 780 -27.696 -19.328 1.340 1.00 11.51 C ATOM 744 CD1 ILE A 780 -29.070 -22.637 1.858 1.00 33.22 C ATOM 0 H ILE A 780 -25.584 -22.098 0.294 1.00 31.31 H new ATOM 0 HA ILE A 780 -27.761 -21.417 -1.170 1.00 13.22 H new ATOM 0 HB ILE A 780 -26.961 -21.318 1.560 1.00 15.21 H new ATOM 0 HG12 ILE A 780 -29.734 -20.689 1.298 1.00 61.14 H new ATOM 0 HG13 ILE A 780 -29.312 -21.723 -0.053 1.00 61.14 H new ATOM 0 HG21 ILE A 780 -28.099 -19.282 2.352 1.00 11.51 H new ATOM 0 HG22 ILE A 780 -26.696 -18.895 1.327 1.00 11.51 H new ATOM 0 HG23 ILE A 780 -28.343 -18.767 0.666 1.00 11.51 H new ATOM 0 HD11 ILE A 780 -30.081 -23.045 1.855 1.00 33.22 H new ATOM 0 HD12 ILE A 780 -28.372 -23.394 1.501 1.00 33.22 H new ATOM 0 HD13 ILE A 780 -28.800 -22.345 2.873 1.00 33.22 H new ATOM 756 N PRO A 781 -28.003 -18.844 -1.514 1.00 4.14 N ATOM 757 CA PRO A 781 -28.000 -17.487 -2.069 1.00 72.21 C ATOM 758 C PRO A 781 -27.696 -16.429 -1.014 1.00 50.43 C ATOM 759 O PRO A 781 -28.222 -15.318 -1.068 1.00 0.13 O ATOM 760 CB PRO A 781 -29.425 -17.318 -2.601 1.00 74.21 C ATOM 761 CG PRO A 781 -30.247 -18.257 -1.786 1.00 52.45 C ATOM 762 CD PRO A 781 -29.355 -19.427 -1.476 1.00 3.14 C ATOM 0 HA PRO A 781 -27.229 -17.360 -2.829 1.00 72.21 H new ATOM 0 HB2 PRO A 781 -29.770 -16.290 -2.489 1.00 74.21 H new ATOM 0 HB3 PRO A 781 -29.483 -17.560 -3.662 1.00 74.21 H new ATOM 0 HG2 PRO A 781 -30.594 -17.778 -0.871 1.00 52.45 H new ATOM 0 HG3 PRO A 781 -31.133 -18.577 -2.334 1.00 52.45 H new ATOM 0 HD2 PRO A 781 -29.580 -19.857 -0.500 1.00 3.14 H new ATOM 0 HD3 PRO A 781 -29.469 -20.225 -2.210 1.00 3.14 H new ATOM 770 N GLN A 782 -26.845 -16.782 -0.056 1.00 74.53 N ATOM 771 CA GLN A 782 -26.473 -15.862 1.011 1.00 35.14 C ATOM 772 C GLN A 782 -25.346 -14.937 0.565 1.00 74.01 C ATOM 773 O GLN A 782 -25.157 -13.857 1.125 1.00 42.14 O ATOM 774 CB GLN A 782 -26.046 -16.640 2.258 1.00 21.02 C ATOM 775 CG GLN A 782 -25.712 -15.751 3.445 1.00 22.11 C ATOM 776 CD GLN A 782 -26.322 -16.252 4.739 1.00 51.31 C ATOM 777 OE1 GLN A 782 -26.893 -15.479 5.509 1.00 55.13 O ATOM 778 NE2 GLN A 782 -26.206 -17.551 4.985 1.00 1.12 N ATOM 0 H GLN A 782 -26.401 -17.698 0.003 1.00 74.53 H new ATOM 0 HA GLN A 782 -27.345 -15.253 1.251 1.00 35.14 H new ATOM 0 HB2 GLN A 782 -26.846 -17.324 2.541 1.00 21.02 H new ATOM 0 HB3 GLN A 782 -25.176 -17.250 2.015 1.00 21.02 H new ATOM 0 HG2 GLN A 782 -24.629 -15.692 3.557 1.00 22.11 H new ATOM 0 HG3 GLN A 782 -26.067 -14.740 3.248 1.00 22.11 H new ATOM 0 HE21 GLN A 782 -25.725 -18.155 4.319 1.00 1.12 H new ATOM 0 HE22 GLN A 782 -26.598 -17.945 5.840 1.00 1.12 H new ATOM 787 N TYR A 783 -24.601 -15.367 -0.448 1.00 11.12 N ATOM 788 CA TYR A 783 -23.491 -14.577 -0.968 1.00 20.21 C ATOM 789 C TYR A 783 -23.999 -13.345 -1.711 1.00 32.44 C ATOM 790 O TYR A 783 -23.443 -12.254 -1.582 1.00 33.15 O ATOM 791 CB TYR A 783 -22.626 -15.428 -1.900 1.00 73.33 C ATOM 792 CG TYR A 783 -21.713 -14.615 -2.788 1.00 42.25 C ATOM 793 CD1 TYR A 783 -22.115 -14.223 -4.060 1.00 33.10 C ATOM 794 CD2 TYR A 783 -20.446 -14.239 -2.358 1.00 54.22 C ATOM 795 CE1 TYR A 783 -21.284 -13.481 -4.875 1.00 11.31 C ATOM 796 CE2 TYR A 783 -19.609 -13.494 -3.167 1.00 31.44 C ATOM 797 CZ TYR A 783 -20.031 -13.118 -4.424 1.00 34.21 C ATOM 798 OH TYR A 783 -19.200 -12.379 -5.232 1.00 44.14 O ATOM 0 H TYR A 783 -24.746 -16.257 -0.925 1.00 11.12 H new ATOM 0 HA TYR A 783 -22.887 -14.245 -0.123 1.00 20.21 H new ATOM 0 HB2 TYR A 783 -22.023 -16.110 -1.300 1.00 73.33 H new ATOM 0 HB3 TYR A 783 -23.275 -16.042 -2.525 1.00 73.33 H new ATOM 0 HD1 TYR A 783 -23.095 -14.504 -4.417 1.00 33.10 H new ATOM 0 HD2 TYR A 783 -20.110 -14.534 -1.375 1.00 54.22 H new ATOM 0 HE1 TYR A 783 -21.613 -13.186 -5.861 1.00 11.31 H new ATOM 0 HE2 TYR A 783 -18.629 -13.208 -2.816 1.00 31.44 H new ATOM 0 HH TYR A 783 -18.356 -12.207 -4.764 1.00 44.14 H new ATOM 808 N LEU A 784 -25.060 -13.529 -2.490 1.00 50.51 N ATOM 809 CA LEU A 784 -25.647 -12.433 -3.254 1.00 64.32 C ATOM 810 C LEU A 784 -26.660 -11.664 -2.414 1.00 1.44 C ATOM 811 O LEU A 784 -26.909 -10.482 -2.649 1.00 14.30 O ATOM 812 CB LEU A 784 -26.318 -12.970 -4.519 1.00 31.40 C ATOM 813 CG LEU A 784 -26.392 -12.004 -5.702 1.00 51.11 C ATOM 814 CD1 LEU A 784 -24.999 -11.559 -6.116 1.00 23.12 C ATOM 815 CD2 LEU A 784 -27.119 -12.648 -6.872 1.00 61.03 C ATOM 0 H LEU A 784 -25.531 -14.426 -2.609 1.00 50.51 H new ATOM 0 HA LEU A 784 -24.846 -11.750 -3.537 1.00 64.32 H new ATOM 0 HB2 LEU A 784 -25.782 -13.864 -4.839 1.00 31.40 H new ATOM 0 HB3 LEU A 784 -27.332 -13.280 -4.265 1.00 31.40 H new ATOM 0 HG LEU A 784 -26.954 -11.123 -5.392 1.00 51.11 H new ATOM 0 HD11 LEU A 784 -25.072 -10.872 -6.959 1.00 23.12 H new ATOM 0 HD12 LEU A 784 -24.514 -11.056 -5.279 1.00 23.12 H new ATOM 0 HD13 LEU A 784 -24.411 -12.429 -6.407 1.00 23.12 H new ATOM 0 HD21 LEU A 784 -27.162 -11.946 -7.705 1.00 61.03 H new ATOM 0 HD22 LEU A 784 -26.585 -13.546 -7.182 1.00 61.03 H new ATOM 0 HD23 LEU A 784 -28.132 -12.914 -6.569 1.00 61.03 H new ATOM 827 N LYS A 785 -27.242 -12.342 -1.430 1.00 23.24 N ATOM 828 CA LYS A 785 -28.226 -11.724 -0.550 1.00 44.41 C ATOM 829 C LYS A 785 -29.454 -11.277 -1.338 1.00 2.50 C ATOM 830 O LYS A 785 -29.427 -10.252 -2.018 1.00 12.30 O ATOM 831 CB LYS A 785 -27.610 -10.526 0.177 1.00 45.13 C ATOM 832 CG LYS A 785 -27.236 -10.816 1.619 1.00 25.25 C ATOM 833 CD LYS A 785 -25.735 -10.722 1.836 1.00 41.34 C ATOM 834 CE LYS A 785 -25.289 -11.561 3.024 1.00 43.50 C ATOM 835 NZ LYS A 785 -24.814 -10.714 4.154 1.00 45.14 N1+ ATOM 0 H LYS A 785 -27.048 -13.322 -1.222 1.00 23.24 H new ATOM 0 HA LYS A 785 -28.537 -12.466 0.185 1.00 44.41 H new ATOM 0 HB2 LYS A 785 -26.720 -10.203 -0.362 1.00 45.13 H new ATOM 0 HB3 LYS A 785 -28.316 -9.696 0.154 1.00 45.13 H new ATOM 0 HG2 LYS A 785 -27.744 -10.111 2.276 1.00 25.25 H new ATOM 0 HG3 LYS A 785 -27.582 -11.813 1.892 1.00 25.25 H new ATOM 0 HD2 LYS A 785 -25.215 -11.056 0.938 1.00 41.34 H new ATOM 0 HD3 LYS A 785 -25.454 -9.681 1.999 1.00 41.34 H new ATOM 0 HE2 LYS A 785 -26.118 -12.184 3.360 1.00 43.50 H new ATOM 0 HE3 LYS A 785 -24.490 -12.234 2.714 1.00 43.50 H new ATOM 0 HZ1 LYS A 785 -24.519 -11.323 4.944 1.00 45.14 H new ATOM 0 HZ2 LYS A 785 -24.007 -10.138 3.841 1.00 45.14 H new ATOM 0 HZ3 LYS A 785 -25.584 -10.089 4.467 1.00 45.14 H new