USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=5 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 -33:sc= 0.351 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 743 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.4) USER MOD Single : A 744 GLN : amide:sc= 0.162 X(o=0.16,f=0) 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= -0.0342 X(o=-0.034,f=-0.17) USER MOD Single : A 756 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 757 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 759 GLN : amide:sc= -3.35 K(o=-3.4,f=-9.4!) USER MOD Single : A 761 LYS NZ :NH3+ -131:sc= -0.0158 (180deg=-0.199) USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 765 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 766 GLN : amide:sc= 0.0142 X(o=0.014,f=-0.096) USER MOD Single : A 768 GLN : amide:sc= -0.0606 X(o=-0.061,f=-0.39) USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 782 GLN : amide:sc= 0 X(o=0,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 -3.350 -0.459 11.003 1.00 51.31 N ATOM 38 CA THR A 739 -3.389 -1.912 11.112 1.00 21.13 C ATOM 39 C THR A 739 -4.795 -2.403 11.436 1.00 0.50 C ATOM 40 O THR A 739 -5.206 -3.476 10.998 1.00 71.54 O ATOM 41 CB THR A 739 -2.418 -2.420 12.195 1.00 12.40 C ATOM 42 OG1 THR A 739 -2.475 -1.567 13.344 1.00 45.35 O ATOM 43 CG2 THR A 739 -0.993 -2.470 11.664 1.00 2.33 C ATOM 0 HA THR A 739 -3.083 -2.309 10.144 1.00 21.13 H new ATOM 0 HB THR A 739 -2.719 -3.429 12.477 1.00 12.40 H new ATOM 0 HG1 THR A 739 -2.647 -0.645 13.059 1.00 45.35 H new ATOM 0 HG21 THR A 739 -0.326 -2.832 12.446 1.00 2.33 H new ATOM 0 HG22 THR A 739 -0.947 -3.143 10.808 1.00 2.33 H new ATOM 0 HG23 THR A 739 -0.684 -1.471 11.357 1.00 2.33 H new ATOM 51 N LYS A 740 -5.530 -1.608 12.208 1.00 74.23 N ATOM 52 CA LYS A 740 -6.893 -1.960 12.590 1.00 62.41 C ATOM 53 C LYS A 740 -7.787 -2.086 11.361 1.00 54.42 C ATOM 54 O LYS A 740 -8.891 -2.627 11.438 1.00 43.25 O ATOM 55 CB LYS A 740 -7.464 -0.909 13.545 1.00 5.13 C ATOM 56 CG LYS A 740 -7.437 0.501 12.983 1.00 3.33 C ATOM 57 CD LYS A 740 -6.889 1.494 13.995 1.00 43.21 C ATOM 58 CE LYS A 740 -7.658 2.805 13.962 1.00 54.52 C ATOM 59 NZ LYS A 740 -6.747 3.983 13.947 1.00 62.25 N1+ ATOM 0 H LYS A 740 -5.204 -0.716 12.581 1.00 74.23 H new ATOM 0 HA LYS A 740 -6.865 -2.925 13.097 1.00 62.41 H new ATOM 0 HB2 LYS A 740 -8.492 -1.174 13.790 1.00 5.13 H new ATOM 0 HB3 LYS A 740 -6.898 -0.931 14.476 1.00 5.13 H new ATOM 0 HG2 LYS A 740 -6.824 0.523 12.082 1.00 3.33 H new ATOM 0 HG3 LYS A 740 -8.445 0.797 12.691 1.00 3.33 H new ATOM 0 HD2 LYS A 740 -6.944 1.064 14.995 1.00 43.21 H new ATOM 0 HD3 LYS A 740 -5.836 1.683 13.787 1.00 43.21 H new ATOM 0 HE2 LYS A 740 -8.297 2.829 13.079 1.00 54.52 H new ATOM 0 HE3 LYS A 740 -8.313 2.864 14.831 1.00 54.52 H new ATOM 0 HZ1 LYS A 740 -7.310 4.857 13.925 1.00 62.25 H new ATOM 0 HZ2 LYS A 740 -6.155 3.975 14.802 1.00 62.25 H new ATOM 0 HZ3 LYS A 740 -6.139 3.941 13.104 1.00 62.25 H new ATOM 73 N ASP A 741 -7.305 -1.582 10.231 1.00 74.54 N ATOM 74 CA ASP A 741 -8.061 -1.640 8.984 1.00 65.44 C ATOM 75 C ASP A 741 -7.832 -2.970 8.271 1.00 54.51 C ATOM 76 O ASP A 741 -8.750 -3.780 8.136 1.00 12.45 O ATOM 77 CB ASP A 741 -7.663 -0.482 8.068 1.00 54.31 C ATOM 78 CG ASP A 741 -8.763 -0.113 7.091 1.00 10.11 C ATOM 79 OD1 ASP A 741 -9.285 1.017 7.184 1.00 14.13 O ATOM 80 OD2 ASP A 741 -9.100 -0.956 6.234 1.00 52.33 O1- ATOM 0 H ASP A 741 -6.395 -1.129 10.152 1.00 74.54 H new ATOM 0 HA ASP A 741 -9.120 -1.555 9.226 1.00 65.44 H new ATOM 0 HB2 ASP A 741 -7.413 0.388 8.675 1.00 54.31 H new ATOM 0 HB3 ASP A 741 -6.764 -0.753 7.514 1.00 54.31 H new ATOM 85 N LEU A 742 -6.603 -3.188 7.817 1.00 41.32 N ATOM 86 CA LEU A 742 -6.254 -4.419 7.117 1.00 61.45 C ATOM 87 C LEU A 742 -5.767 -5.483 8.095 1.00 21.35 C ATOM 88 O LEU A 742 -6.325 -6.578 8.164 1.00 44.44 O ATOM 89 CB LEU A 742 -5.175 -4.144 6.067 1.00 54.12 C ATOM 90 CG LEU A 742 -5.136 -2.723 5.502 1.00 63.20 C ATOM 91 CD1 LEU A 742 -4.138 -1.870 6.271 1.00 33.44 C ATOM 92 CD2 LEU A 742 -4.789 -2.749 4.021 1.00 43.44 C ATOM 0 H LEU A 742 -5.832 -2.529 7.921 1.00 41.32 H new ATOM 0 HA LEU A 742 -7.150 -4.791 6.620 1.00 61.45 H new ATOM 0 HB2 LEU A 742 -4.203 -4.365 6.507 1.00 54.12 H new ATOM 0 HB3 LEU A 742 -5.316 -4.839 5.239 1.00 54.12 H new ATOM 0 HG LEU A 742 -6.125 -2.279 5.616 1.00 63.20 H new ATOM 0 HD11 LEU A 742 -4.124 -0.863 5.855 1.00 33.44 H new ATOM 0 HD12 LEU A 742 -4.430 -1.825 7.320 1.00 33.44 H new ATOM 0 HD13 LEU A 742 -3.144 -2.310 6.189 1.00 33.44 H new ATOM 0 HD21 LEU A 742 -4.765 -1.730 3.635 1.00 43.44 H new ATOM 0 HD22 LEU A 742 -3.811 -3.211 3.884 1.00 43.44 H new ATOM 0 HD23 LEU A 742 -5.541 -3.324 3.481 1.00 43.44 H new ATOM 104 N GLN A 743 -4.725 -5.152 8.851 1.00 33.41 N ATOM 105 CA GLN A 743 -4.165 -6.079 9.827 1.00 2.10 C ATOM 106 C GLN A 743 -5.262 -6.679 10.701 1.00 72.24 C ATOM 107 O GLN A 743 -5.160 -7.823 11.141 1.00 12.11 O ATOM 108 CB GLN A 743 -3.131 -5.368 10.703 1.00 73.44 C ATOM 109 CG GLN A 743 -1.890 -6.201 10.976 1.00 4.23 C ATOM 110 CD GLN A 743 -1.042 -6.409 9.737 1.00 31.12 C ATOM 111 OE1 GLN A 743 -1.347 -7.258 8.898 1.00 44.51 O ATOM 112 NE2 GLN A 743 0.030 -5.634 9.615 1.00 34.00 N ATOM 0 H GLN A 743 -4.252 -4.249 8.806 1.00 33.41 H new ATOM 0 HA GLN A 743 -3.676 -6.887 9.283 1.00 2.10 H new ATOM 0 HB2 GLN A 743 -2.835 -4.438 10.218 1.00 73.44 H new ATOM 0 HB3 GLN A 743 -3.594 -5.099 11.652 1.00 73.44 H new ATOM 0 HG2 GLN A 743 -1.291 -5.712 11.744 1.00 4.23 H new ATOM 0 HG3 GLN A 743 -2.188 -7.171 11.374 1.00 4.23 H new ATOM 0 HE21 GLN A 743 0.245 -4.944 10.334 1.00 34.00 H new ATOM 0 HE22 GLN A 743 0.638 -5.729 8.802 1.00 34.00 H new ATOM 121 N GLN A 744 -6.310 -5.899 10.946 1.00 45.04 N ATOM 122 CA GLN A 744 -7.425 -6.353 11.767 1.00 72.00 C ATOM 123 C GLN A 744 -8.097 -7.573 11.145 1.00 75.41 C ATOM 124 O GLN A 744 -8.584 -8.455 11.853 1.00 30.20 O ATOM 125 CB GLN A 744 -8.447 -5.229 11.946 1.00 62.03 C ATOM 126 CG GLN A 744 -9.714 -5.666 12.662 1.00 3.12 C ATOM 127 CD GLN A 744 -10.923 -5.685 11.750 1.00 33.45 C ATOM 128 OE1 GLN A 744 -11.528 -6.734 11.523 1.00 65.40 O ATOM 129 NE2 GLN A 744 -11.285 -4.522 11.220 1.00 21.33 N ATOM 0 H GLN A 744 -6.410 -4.949 10.587 1.00 45.04 H new ATOM 0 HA GLN A 744 -7.032 -6.635 12.744 1.00 72.00 H new ATOM 0 HB2 GLN A 744 -7.986 -4.416 12.506 1.00 62.03 H new ATOM 0 HB3 GLN A 744 -8.712 -4.831 10.966 1.00 62.03 H new ATOM 0 HG2 GLN A 744 -9.565 -6.661 13.082 1.00 3.12 H new ATOM 0 HG3 GLN A 744 -9.905 -4.993 13.498 1.00 3.12 H new ATOM 0 HE21 GLN A 744 -10.756 -3.677 11.435 1.00 21.33 H new ATOM 0 HE22 GLN A 744 -12.092 -4.474 10.598 1.00 21.33 H new ATOM 138 N LYS A 745 -8.121 -7.616 9.817 1.00 32.42 N ATOM 139 CA LYS A 745 -8.732 -8.728 9.099 1.00 12.01 C ATOM 140 C LYS A 745 -7.809 -9.943 9.088 1.00 40.31 C ATOM 141 O LYS A 745 -8.203 -11.037 9.491 1.00 5.22 O ATOM 142 CB LYS A 745 -9.064 -8.313 7.663 1.00 31.53 C ATOM 143 CG LYS A 745 -9.481 -6.859 7.531 1.00 15.15 C ATOM 144 CD LYS A 745 -9.967 -6.544 6.127 1.00 52.42 C ATOM 145 CE LYS A 745 -11.299 -7.218 5.833 1.00 14.41 C ATOM 146 NZ LYS A 745 -11.239 -8.053 4.602 1.00 64.32 N1+ ATOM 0 H LYS A 745 -7.724 -6.893 9.216 1.00 32.42 H new ATOM 0 HA LYS A 745 -9.653 -8.999 9.615 1.00 12.01 H new ATOM 0 HB2 LYS A 745 -8.193 -8.491 7.032 1.00 31.53 H new ATOM 0 HB3 LYS A 745 -9.866 -8.948 7.287 1.00 31.53 H new ATOM 0 HG2 LYS A 745 -10.272 -6.640 8.248 1.00 15.15 H new ATOM 0 HG3 LYS A 745 -8.638 -6.214 7.779 1.00 15.15 H new ATOM 0 HD2 LYS A 745 -10.070 -5.465 6.010 1.00 52.42 H new ATOM 0 HD3 LYS A 745 -9.223 -6.873 5.401 1.00 52.42 H new ATOM 0 HE2 LYS A 745 -11.586 -7.841 6.680 1.00 14.41 H new ATOM 0 HE3 LYS A 745 -12.073 -6.459 5.719 1.00 14.41 H new ATOM 0 HZ1 LYS A 745 -12.166 -8.495 4.437 1.00 64.32 H new ATOM 0 HZ2 LYS A 745 -10.991 -7.455 3.788 1.00 64.32 H new ATOM 0 HZ3 LYS A 745 -10.519 -8.794 4.720 1.00 64.32 H new ATOM 160 N PHE A 746 -6.579 -9.742 8.626 1.00 75.05 N ATOM 161 CA PHE A 746 -5.601 -10.821 8.564 1.00 63.43 C ATOM 162 C PHE A 746 -5.339 -11.398 9.951 1.00 45.30 C ATOM 163 O PHE A 746 -5.047 -12.586 10.097 1.00 11.40 O ATOM 164 CB PHE A 746 -4.292 -10.316 7.953 1.00 61.33 C ATOM 165 CG PHE A 746 -4.441 -9.815 6.544 1.00 52.30 C ATOM 166 CD1 PHE A 746 -5.031 -10.607 5.572 1.00 44.20 C ATOM 167 CD2 PHE A 746 -3.992 -8.552 6.193 1.00 51.22 C ATOM 168 CE1 PHE A 746 -5.170 -10.149 4.275 1.00 30.24 C ATOM 169 CE2 PHE A 746 -4.128 -8.089 4.898 1.00 15.24 C ATOM 170 CZ PHE A 746 -4.718 -8.889 3.938 1.00 3.22 C ATOM 0 H PHE A 746 -6.236 -8.842 8.289 1.00 75.05 H new ATOM 0 HA PHE A 746 -6.008 -11.611 7.933 1.00 63.43 H new ATOM 0 HB2 PHE A 746 -3.896 -9.514 8.575 1.00 61.33 H new ATOM 0 HB3 PHE A 746 -3.559 -11.122 7.968 1.00 61.33 H new ATOM 0 HD1 PHE A 746 -5.386 -11.594 5.831 1.00 44.20 H new ATOM 0 HD2 PHE A 746 -3.531 -7.923 6.940 1.00 51.22 H new ATOM 0 HE1 PHE A 746 -5.632 -10.776 3.527 1.00 30.24 H new ATOM 0 HE2 PHE A 746 -3.774 -7.103 4.636 1.00 15.24 H new ATOM 0 HZ PHE A 746 -4.825 -8.529 2.925 1.00 3.22 H new ATOM 180 N TYR A 747 -5.443 -10.549 10.967 1.00 23.21 N ATOM 181 CA TYR A 747 -5.214 -10.973 12.344 1.00 42.10 C ATOM 182 C TYR A 747 -6.289 -11.955 12.797 1.00 24.13 C ATOM 183 O TYR A 747 -6.168 -12.581 13.849 1.00 33.25 O ATOM 184 CB TYR A 747 -5.190 -9.760 13.275 1.00 13.11 C ATOM 185 CG TYR A 747 -4.919 -10.112 14.720 1.00 12.24 C ATOM 186 CD1 TYR A 747 -3.821 -10.886 15.073 1.00 64.11 C ATOM 187 CD2 TYR A 747 -5.762 -9.671 15.733 1.00 34.23 C ATOM 188 CE1 TYR A 747 -3.569 -11.211 16.393 1.00 72.05 C ATOM 189 CE2 TYR A 747 -5.518 -9.990 17.056 1.00 52.33 C ATOM 190 CZ TYR A 747 -4.420 -10.760 17.380 1.00 14.10 C ATOM 191 OH TYR A 747 -4.175 -11.081 18.695 1.00 60.41 O ATOM 0 H TYR A 747 -5.684 -9.563 10.864 1.00 23.21 H new ATOM 0 HA TYR A 747 -4.248 -11.475 12.387 1.00 42.10 H new ATOM 0 HB2 TYR A 747 -4.426 -9.063 12.930 1.00 13.11 H new ATOM 0 HB3 TYR A 747 -6.147 -9.243 13.209 1.00 13.11 H new ATOM 0 HD1 TYR A 747 -3.152 -11.240 14.303 1.00 64.11 H new ATOM 0 HD2 TYR A 747 -6.623 -9.069 15.482 1.00 34.23 H new ATOM 0 HE1 TYR A 747 -2.711 -11.814 16.650 1.00 72.05 H new ATOM 0 HE2 TYR A 747 -6.183 -9.639 17.831 1.00 52.33 H new ATOM 0 HH TYR A 747 -4.868 -10.684 19.263 1.00 60.41 H new ATOM 201 N GLU A 748 -7.340 -12.085 11.994 1.00 50.22 N ATOM 202 CA GLU A 748 -8.438 -12.991 12.312 1.00 65.34 C ATOM 203 C GLU A 748 -8.152 -14.396 11.788 1.00 1.42 C ATOM 204 O GLU A 748 -8.657 -15.383 12.323 1.00 64.01 O ATOM 205 CB GLU A 748 -9.748 -12.469 11.718 1.00 23.44 C ATOM 206 CG GLU A 748 -9.954 -10.978 11.918 1.00 75.33 C ATOM 207 CD GLU A 748 -11.309 -10.651 12.516 1.00 33.45 C ATOM 208 OE1 GLU A 748 -11.507 -10.923 13.719 1.00 62.22 O ATOM 209 OE2 GLU A 748 -12.172 -10.126 11.783 1.00 54.04 O1- ATOM 0 H GLU A 748 -7.455 -11.575 11.118 1.00 50.22 H new ATOM 0 HA GLU A 748 -8.534 -13.039 13.397 1.00 65.34 H new ATOM 0 HB2 GLU A 748 -9.767 -12.690 10.651 1.00 23.44 H new ATOM 0 HB3 GLU A 748 -10.582 -13.006 12.170 1.00 23.44 H new ATOM 0 HG2 GLU A 748 -9.171 -10.591 12.570 1.00 75.33 H new ATOM 0 HG3 GLU A 748 -9.852 -10.469 10.960 1.00 75.33 H new ATOM 216 N ILE A 749 -7.341 -14.476 10.738 1.00 24.21 N ATOM 217 CA ILE A 749 -6.989 -15.758 10.142 1.00 25.34 C ATOM 218 C ILE A 749 -5.870 -16.439 10.924 1.00 3.21 C ATOM 219 O ILE A 749 -5.440 -17.540 10.580 1.00 65.43 O ATOM 220 CB ILE A 749 -6.548 -15.595 8.676 1.00 61.22 C ATOM 221 CG1 ILE A 749 -7.489 -14.639 7.941 1.00 43.52 C ATOM 222 CG2 ILE A 749 -6.511 -16.948 7.980 1.00 3.35 C ATOM 223 CD1 ILE A 749 -7.123 -14.427 6.489 1.00 62.40 C ATOM 0 H ILE A 749 -6.916 -13.668 10.283 1.00 24.21 H new ATOM 0 HA ILE A 749 -7.884 -16.379 10.177 1.00 25.34 H new ATOM 0 HB ILE A 749 -5.544 -15.172 8.660 1.00 61.22 H new ATOM 0 HG12 ILE A 749 -8.506 -15.028 7.998 1.00 43.52 H new ATOM 0 HG13 ILE A 749 -7.487 -13.676 8.452 1.00 43.52 H new ATOM 0 HG21 ILE A 749 -6.197 -16.816 6.944 1.00 3.35 H new ATOM 0 HG22 ILE A 749 -5.805 -17.602 8.492 1.00 3.35 H new ATOM 0 HG23 ILE A 749 -7.504 -17.397 8.004 1.00 3.35 H new ATOM 0 HD11 ILE A 749 -7.833 -13.738 6.032 1.00 62.40 H new ATOM 0 HD12 ILE A 749 -6.119 -14.009 6.424 1.00 62.40 H new ATOM 0 HD13 ILE A 749 -7.153 -15.381 5.963 1.00 62.40 H new ATOM 235 N ILE A 750 -5.406 -15.778 11.980 1.00 23.20 N ATOM 236 CA ILE A 750 -4.340 -16.321 12.813 1.00 53.23 C ATOM 237 C ILE A 750 -4.908 -17.054 14.024 1.00 72.24 C ATOM 238 O ILE A 750 -4.329 -18.031 14.499 1.00 60.32 O ATOM 239 CB ILE A 750 -3.386 -15.213 13.297 1.00 25.24 C ATOM 240 CG1 ILE A 750 -2.925 -14.354 12.118 1.00 21.23 C ATOM 241 CG2 ILE A 750 -2.191 -15.821 14.016 1.00 32.41 C ATOM 242 CD1 ILE A 750 -2.007 -13.220 12.519 1.00 33.34 C ATOM 0 H ILE A 750 -5.752 -14.866 12.279 1.00 23.20 H new ATOM 0 HA ILE A 750 -3.783 -17.025 12.195 1.00 53.23 H new ATOM 0 HB ILE A 750 -3.922 -14.574 13.999 1.00 25.24 H new ATOM 0 HG12 ILE A 750 -2.411 -14.988 11.396 1.00 21.23 H new ATOM 0 HG13 ILE A 750 -3.800 -13.942 11.615 1.00 21.23 H new ATOM 0 HG21 ILE A 750 -1.526 -15.026 14.352 1.00 32.41 H new ATOM 0 HG22 ILE A 750 -2.537 -16.393 14.877 1.00 32.41 H new ATOM 0 HG23 ILE A 750 -1.653 -16.480 13.335 1.00 32.41 H new ATOM 0 HD11 ILE A 750 -1.720 -12.654 11.633 1.00 33.34 H new ATOM 0 HD12 ILE A 750 -2.524 -12.563 13.218 1.00 33.34 H new ATOM 0 HD13 ILE A 750 -1.114 -13.626 12.995 1.00 33.34 H new ATOM 254 N LEU A 751 -6.045 -16.577 14.516 1.00 1.21 N ATOM 255 CA LEU A 751 -6.693 -17.188 15.672 1.00 53.54 C ATOM 256 C LEU A 751 -7.603 -18.334 15.241 1.00 15.25 C ATOM 257 O LEU A 751 -7.866 -19.256 16.015 1.00 2.41 O ATOM 258 CB LEU A 751 -7.502 -16.141 16.440 1.00 12.33 C ATOM 259 CG LEU A 751 -8.043 -16.579 17.802 1.00 11.24 C ATOM 260 CD1 LEU A 751 -6.909 -16.730 18.804 1.00 73.23 C ATOM 261 CD2 LEU A 751 -9.077 -15.583 18.310 1.00 64.11 C ATOM 0 H LEU A 751 -6.538 -15.770 14.134 1.00 1.21 H new ATOM 0 HA LEU A 751 -5.917 -17.589 16.324 1.00 53.54 H new ATOM 0 HB2 LEU A 751 -6.875 -15.261 16.586 1.00 12.33 H new ATOM 0 HB3 LEU A 751 -8.343 -15.833 15.819 1.00 12.33 H new ATOM 0 HG LEU A 751 -8.527 -17.548 17.684 1.00 11.24 H new ATOM 0 HD11 LEU A 751 -7.313 -17.042 19.767 1.00 73.23 H new ATOM 0 HD12 LEU A 751 -6.205 -17.481 18.446 1.00 73.23 H new ATOM 0 HD13 LEU A 751 -6.395 -15.776 18.918 1.00 73.23 H new ATOM 0 HD21 LEU A 751 -9.451 -15.910 19.280 1.00 64.11 H new ATOM 0 HD22 LEU A 751 -8.616 -14.600 18.411 1.00 64.11 H new ATOM 0 HD23 LEU A 751 -9.904 -15.525 17.603 1.00 64.11 H new ATOM 273 N ASP A 752 -8.081 -18.272 14.004 1.00 20.21 N ATOM 274 CA ASP A 752 -8.958 -19.306 13.469 1.00 14.04 C ATOM 275 C ASP A 752 -8.148 -20.443 12.855 1.00 24.54 C ATOM 276 O ASP A 752 -8.644 -21.560 12.700 1.00 15.44 O ATOM 277 CB ASP A 752 -9.902 -18.713 12.422 1.00 35.51 C ATOM 278 CG ASP A 752 -10.906 -17.751 13.026 1.00 3.51 C ATOM 279 OD1 ASP A 752 -10.510 -16.953 13.902 1.00 12.55 O ATOM 280 OD2 ASP A 752 -12.086 -17.794 12.623 1.00 40.34 O1- ATOM 0 H ASP A 752 -7.876 -17.515 13.352 1.00 20.21 H new ATOM 0 HA ASP A 752 -9.548 -19.708 14.293 1.00 14.04 H new ATOM 0 HB2 ASP A 752 -9.317 -18.194 11.663 1.00 35.51 H new ATOM 0 HB3 ASP A 752 -10.434 -19.520 11.918 1.00 35.51 H new ATOM 285 N ILE A 753 -6.899 -20.152 12.507 1.00 22.12 N ATOM 286 CA ILE A 753 -6.020 -21.150 11.910 1.00 1.34 C ATOM 287 C ILE A 753 -5.345 -21.998 12.982 1.00 23.41 C ATOM 288 O ILE A 753 -5.027 -23.166 12.754 1.00 14.32 O ATOM 289 CB ILE A 753 -4.938 -20.494 11.033 1.00 42.25 C ATOM 290 CG1 ILE A 753 -4.173 -21.560 10.246 1.00 21.22 C ATOM 291 CG2 ILE A 753 -3.984 -19.676 11.891 1.00 62.23 C ATOM 292 CD1 ILE A 753 -3.769 -21.114 8.859 1.00 50.04 C ATOM 0 H ILE A 753 -6.473 -19.233 12.628 1.00 22.12 H new ATOM 0 HA ILE A 753 -6.645 -21.788 11.285 1.00 1.34 H new ATOM 0 HB ILE A 753 -5.424 -19.824 10.324 1.00 42.25 H new ATOM 0 HG12 ILE A 753 -3.279 -21.840 10.803 1.00 21.22 H new ATOM 0 HG13 ILE A 753 -4.791 -22.454 10.166 1.00 21.22 H new ATOM 0 HG21 ILE A 753 -3.225 -19.219 11.256 1.00 62.23 H new ATOM 0 HG22 ILE A 753 -4.540 -18.896 12.411 1.00 62.23 H new ATOM 0 HG23 ILE A 753 -3.503 -20.327 12.621 1.00 62.23 H new ATOM 0 HD11 ILE A 753 -3.231 -21.920 8.360 1.00 50.04 H new ATOM 0 HD12 ILE A 753 -4.660 -20.862 8.284 1.00 50.04 H new ATOM 0 HD13 ILE A 753 -3.124 -20.238 8.932 1.00 50.04 H new ATOM 304 N GLU A 754 -5.130 -21.405 14.152 1.00 71.24 N ATOM 305 CA GLU A 754 -4.493 -22.107 15.259 1.00 33.24 C ATOM 306 C GLU A 754 -5.490 -23.018 15.972 1.00 50.35 C ATOM 307 O GLU A 754 -5.124 -24.071 16.490 1.00 64.13 O ATOM 308 CB GLU A 754 -3.899 -21.108 16.253 1.00 41.33 C ATOM 309 CG GLU A 754 -2.679 -21.634 16.989 1.00 3.43 C ATOM 310 CD GLU A 754 -2.254 -20.733 18.133 1.00 25.31 C ATOM 311 OE1 GLU A 754 -1.651 -21.246 19.099 1.00 34.11 O ATOM 312 OE2 GLU A 754 -2.524 -19.516 18.062 1.00 31.51 O1- ATOM 0 H GLU A 754 -5.388 -20.440 14.357 1.00 71.24 H new ATOM 0 HA GLU A 754 -3.691 -22.722 14.851 1.00 33.24 H new ATOM 0 HB2 GLU A 754 -3.627 -20.197 15.720 1.00 41.33 H new ATOM 0 HB3 GLU A 754 -4.663 -20.835 16.981 1.00 41.33 H new ATOM 0 HG2 GLU A 754 -2.894 -22.630 17.377 1.00 3.43 H new ATOM 0 HG3 GLU A 754 -1.852 -21.737 16.286 1.00 3.43 H new ATOM 319 N GLN A 755 -6.753 -22.601 15.993 1.00 5.32 N ATOM 320 CA GLN A 755 -7.801 -23.376 16.643 1.00 74.11 C ATOM 321 C GLN A 755 -7.887 -24.779 16.051 1.00 73.14 C ATOM 322 O GLN A 755 -8.310 -25.721 16.719 1.00 30.32 O ATOM 323 CB GLN A 755 -9.150 -22.668 16.503 1.00 12.42 C ATOM 324 CG GLN A 755 -9.333 -21.510 17.472 1.00 24.43 C ATOM 325 CD GLN A 755 -9.668 -21.974 18.877 1.00 43.34 C ATOM 326 OE1 GLN A 755 -10.830 -22.215 19.203 1.00 52.51 O ATOM 327 NE2 GLN A 755 -8.647 -22.100 19.718 1.00 70.34 N ATOM 0 H GLN A 755 -7.074 -21.731 15.567 1.00 5.32 H new ATOM 0 HA GLN A 755 -7.551 -23.462 17.701 1.00 74.11 H new ATOM 0 HB2 GLN A 755 -9.252 -22.297 15.483 1.00 12.42 H new ATOM 0 HB3 GLN A 755 -9.949 -23.392 16.660 1.00 12.42 H new ATOM 0 HG2 GLN A 755 -8.420 -20.915 17.498 1.00 24.43 H new ATOM 0 HG3 GLN A 755 -10.128 -20.859 17.109 1.00 24.43 H new ATOM 0 HE21 GLN A 755 -7.699 -21.889 19.405 1.00 70.34 H new ATOM 0 HE22 GLN A 755 -8.811 -22.407 20.677 1.00 70.34 H new ATOM 336 N ASN A 756 -7.483 -24.909 14.791 1.00 33.52 N ATOM 337 CA ASN A 756 -7.516 -26.198 14.108 1.00 10.10 C ATOM 338 C ASN A 756 -6.709 -27.241 14.875 1.00 0.22 C ATOM 339 O ASN A 756 -6.950 -28.441 14.752 1.00 11.21 O ATOM 340 CB ASN A 756 -6.969 -26.059 12.686 1.00 44.11 C ATOM 341 CG ASN A 756 -7.202 -27.304 11.852 1.00 11.40 C ATOM 342 OD1 ASN A 756 -8.148 -28.055 12.088 1.00 14.45 O ATOM 343 ND2 ASN A 756 -6.337 -27.529 10.870 1.00 1.23 N ATOM 0 H ASN A 756 -7.130 -24.139 14.223 1.00 33.52 H new ATOM 0 HA ASN A 756 -8.553 -26.530 14.061 1.00 10.10 H new ATOM 0 HB2 ASN A 756 -7.442 -25.206 12.200 1.00 44.11 H new ATOM 0 HB3 ASN A 756 -5.900 -25.849 12.730 1.00 44.11 H new ATOM 0 HD21 ASN A 756 -6.443 -28.351 10.276 1.00 1.23 H new ATOM 0 HD22 ASN A 756 -5.567 -26.880 10.710 1.00 1.23 H new ATOM 350 N ASN A 757 -5.749 -26.774 15.667 1.00 15.13 N ATOM 351 CA ASN A 757 -4.907 -27.666 16.455 1.00 43.35 C ATOM 352 C ASN A 757 -5.470 -27.847 17.861 1.00 14.42 C ATOM 353 O ASN A 757 -5.637 -28.970 18.335 1.00 35.34 O ATOM 354 CB ASN A 757 -3.480 -27.117 16.533 1.00 74.45 C ATOM 355 CG ASN A 757 -2.446 -28.129 16.076 1.00 12.22 C ATOM 356 OD1 ASN A 757 -2.456 -28.567 14.927 1.00 74.34 O ATOM 357 ND2 ASN A 757 -1.547 -28.503 16.979 1.00 1.11 N ATOM 0 H ASN A 757 -5.535 -25.783 15.780 1.00 15.13 H new ATOM 0 HA ASN A 757 -4.890 -28.638 15.962 1.00 43.35 H new ATOM 0 HB2 ASN A 757 -3.404 -26.221 15.917 1.00 74.45 H new ATOM 0 HB3 ASN A 757 -3.264 -26.818 17.559 1.00 74.45 H new ATOM 0 HD21 ASN A 757 -0.826 -29.180 16.731 1.00 1.11 H new ATOM 0 HD22 ASN A 757 -1.577 -28.113 17.921 1.00 1.11 H new ATOM 364 N VAL A 758 -5.764 -26.732 18.524 1.00 61.24 N ATOM 365 CA VAL A 758 -6.311 -26.766 19.874 1.00 1.24 C ATOM 366 C VAL A 758 -7.635 -27.519 19.911 1.00 52.12 C ATOM 367 O VAL A 758 -8.029 -28.052 20.949 1.00 11.41 O ATOM 368 CB VAL A 758 -6.524 -25.346 20.430 1.00 55.24 C ATOM 369 CG1 VAL A 758 -7.051 -25.403 21.856 1.00 64.41 C ATOM 370 CG2 VAL A 758 -5.231 -24.548 20.361 1.00 1.34 C ATOM 0 H VAL A 758 -5.632 -25.794 18.147 1.00 61.24 H new ATOM 0 HA VAL A 758 -5.583 -27.286 20.497 1.00 1.24 H new ATOM 0 HB VAL A 758 -7.269 -24.841 19.814 1.00 55.24 H new ATOM 0 HG11 VAL A 758 -7.195 -24.390 22.231 1.00 64.41 H new ATOM 0 HG12 VAL A 758 -8.003 -25.934 21.871 1.00 64.41 H new ATOM 0 HG13 VAL A 758 -6.333 -25.926 22.488 1.00 64.41 H new ATOM 0 HG21 VAL A 758 -5.400 -23.547 20.758 1.00 1.34 H new ATOM 0 HG22 VAL A 758 -4.463 -25.048 20.951 1.00 1.34 H new ATOM 0 HG23 VAL A 758 -4.902 -24.477 19.324 1.00 1.34 H new ATOM 380 N GLN A 759 -8.319 -27.559 18.772 1.00 31.21 N ATOM 381 CA GLN A 759 -9.601 -28.248 18.675 1.00 24.32 C ATOM 382 C GLN A 759 -9.420 -29.664 18.138 1.00 5.23 C ATOM 383 O GLN A 759 -10.307 -30.210 17.485 1.00 52.25 O ATOM 384 CB GLN A 759 -10.556 -27.466 17.771 1.00 73.11 C ATOM 385 CG GLN A 759 -10.953 -26.110 18.333 1.00 30.11 C ATOM 386 CD GLN A 759 -12.385 -25.738 18.002 1.00 4.05 C ATOM 387 OE1 GLN A 759 -13.046 -26.409 17.208 1.00 24.00 O ATOM 388 NE2 GLN A 759 -12.873 -24.664 18.612 1.00 45.05 N ATOM 0 H GLN A 759 -8.007 -27.123 17.904 1.00 31.21 H new ATOM 0 HA GLN A 759 -10.027 -28.311 19.676 1.00 24.32 H new ATOM 0 HB2 GLN A 759 -10.086 -27.323 16.798 1.00 73.11 H new ATOM 0 HB3 GLN A 759 -11.455 -28.059 17.607 1.00 73.11 H new ATOM 0 HG2 GLN A 759 -10.824 -26.118 19.415 1.00 30.11 H new ATOM 0 HG3 GLN A 759 -10.283 -25.347 17.938 1.00 30.11 H new ATOM 0 HE21 GLN A 759 -12.290 -24.138 19.263 1.00 45.05 H new ATOM 0 HE22 GLN A 759 -13.831 -24.365 18.430 1.00 45.05 H new ATOM 397 N GLY A 760 -8.261 -30.254 18.420 1.00 33.40 N ATOM 398 CA GLY A 760 -7.984 -31.602 17.957 1.00 2.21 C ATOM 399 C GLY A 760 -6.870 -32.265 18.742 1.00 31.52 C ATOM 400 O GLY A 760 -6.225 -33.194 18.254 1.00 1.03 O ATOM 0 H GLY A 760 -7.510 -29.823 18.960 1.00 33.40 H new ATOM 0 HA2 GLY A 760 -8.889 -32.204 18.037 1.00 2.21 H new ATOM 0 HA3 GLY A 760 -7.713 -31.572 16.902 1.00 2.21 H new ATOM 404 N LYS A 761 -6.640 -31.788 19.960 1.00 33.01 N ATOM 405 CA LYS A 761 -5.596 -32.341 20.815 1.00 23.03 C ATOM 406 C LYS A 761 -6.195 -32.969 22.069 1.00 53.41 C ATOM 407 O LYS A 761 -5.609 -33.873 22.665 1.00 62.23 O ATOM 408 CB LYS A 761 -4.597 -31.249 21.205 1.00 4.22 C ATOM 409 CG LYS A 761 -3.914 -30.596 20.015 1.00 12.04 C ATOM 410 CD LYS A 761 -2.408 -30.779 20.067 1.00 24.52 C ATOM 411 CE LYS A 761 -1.768 -29.857 21.094 1.00 13.31 C ATOM 412 NZ LYS A 761 -1.328 -30.599 22.308 1.00 40.01 N1+ ATOM 0 H LYS A 761 -7.163 -31.019 20.378 1.00 33.01 H new ATOM 0 HA LYS A 761 -5.076 -33.118 20.255 1.00 23.03 H new ATOM 0 HB2 LYS A 761 -5.116 -30.483 21.781 1.00 4.22 H new ATOM 0 HB3 LYS A 761 -3.838 -31.679 21.858 1.00 4.22 H new ATOM 0 HG2 LYS A 761 -4.302 -31.025 19.091 1.00 12.04 H new ATOM 0 HG3 LYS A 761 -4.152 -29.532 19.997 1.00 12.04 H new ATOM 0 HD2 LYS A 761 -2.175 -31.815 20.312 1.00 24.52 H new ATOM 0 HD3 LYS A 761 -1.982 -30.580 19.083 1.00 24.52 H new ATOM 0 HE2 LYS A 761 -0.911 -29.353 20.646 1.00 13.31 H new ATOM 0 HE3 LYS A 761 -2.480 -29.082 21.380 1.00 13.31 H new ATOM 0 HZ1 LYS A 761 -1.672 -30.109 23.158 1.00 40.01 H new ATOM 0 HZ2 LYS A 761 -1.715 -31.564 22.284 1.00 40.01 H new ATOM 0 HZ3 LYS A 761 -0.289 -30.643 22.331 1.00 40.01 H new ATOM 426 N THR A 762 -7.367 -32.483 22.467 1.00 50.33 N ATOM 427 CA THR A 762 -8.046 -32.997 23.650 1.00 1.31 C ATOM 428 C THR A 762 -9.069 -34.064 23.277 1.00 20.14 C ATOM 429 O THR A 762 -10.056 -34.264 23.983 1.00 52.14 O ATOM 430 CB THR A 762 -8.756 -31.869 24.424 1.00 1.02 C ATOM 431 OG1 THR A 762 -8.001 -30.656 24.324 1.00 32.40 O ATOM 432 CG2 THR A 762 -8.930 -32.245 25.887 1.00 1.32 C ATOM 0 H THR A 762 -7.866 -31.734 21.987 1.00 50.33 H new ATOM 0 HA THR A 762 -7.280 -33.439 24.287 1.00 1.31 H new ATOM 0 HB THR A 762 -9.742 -31.720 23.984 1.00 1.02 H new ATOM 0 HG1 THR A 762 -8.459 -29.944 24.817 1.00 32.40 H new ATOM 0 HG21 THR A 762 -9.433 -31.434 26.414 1.00 1.32 H new ATOM 0 HG22 THR A 762 -9.529 -33.153 25.961 1.00 1.32 H new ATOM 0 HG23 THR A 762 -7.952 -32.418 26.337 1.00 1.32 H new ATOM 440 N GLY A 763 -8.824 -34.748 22.165 1.00 32.32 N ATOM 441 CA GLY A 763 -9.733 -35.789 21.719 1.00 62.03 C ATOM 442 C GLY A 763 -11.143 -35.275 21.511 1.00 34.20 C ATOM 443 O GLY A 763 -12.100 -35.834 22.048 1.00 31.11 O ATOM 0 H GLY A 763 -8.013 -34.601 21.564 1.00 32.32 H new ATOM 0 HA2 GLY A 763 -9.363 -36.215 20.786 1.00 62.03 H new ATOM 0 HA3 GLY A 763 -9.747 -36.594 22.454 1.00 62.03 H new ATOM 447 N ILE A 764 -11.274 -34.207 20.731 1.00 11.23 N ATOM 448 CA ILE A 764 -12.579 -33.619 20.454 1.00 4.23 C ATOM 449 C ILE A 764 -12.590 -32.918 19.099 1.00 1.43 C ATOM 450 O ILE A 764 -12.782 -31.705 19.019 1.00 2.34 O ATOM 451 CB ILE A 764 -12.983 -32.609 21.544 1.00 13.53 C ATOM 452 CG1 ILE A 764 -11.839 -31.630 21.813 1.00 14.50 C ATOM 453 CG2 ILE A 764 -13.374 -33.338 22.821 1.00 14.44 C ATOM 454 CD1 ILE A 764 -12.165 -30.595 22.869 1.00 65.50 C ATOM 0 H ILE A 764 -10.493 -33.731 20.280 1.00 11.23 H new ATOM 0 HA ILE A 764 -13.298 -34.438 20.443 1.00 4.23 H new ATOM 0 HB ILE A 764 -13.845 -32.042 21.192 1.00 13.53 H new ATOM 0 HG12 ILE A 764 -10.958 -32.190 22.125 1.00 14.50 H new ATOM 0 HG13 ILE A 764 -11.581 -31.121 20.884 1.00 14.50 H new ATOM 0 HG21 ILE A 764 -13.657 -32.611 23.583 1.00 14.44 H new ATOM 0 HG22 ILE A 764 -14.217 -33.999 22.619 1.00 14.44 H new ATOM 0 HG23 ILE A 764 -12.529 -33.926 23.177 1.00 14.44 H new ATOM 0 HD11 ILE A 764 -11.309 -29.935 23.008 1.00 65.50 H new ATOM 0 HD12 ILE A 764 -13.027 -30.009 22.550 1.00 65.50 H new ATOM 0 HD13 ILE A 764 -12.394 -31.095 23.810 1.00 65.50 H new ATOM 466 N GLN A 765 -12.383 -33.691 18.038 1.00 70.00 N ATOM 467 CA GLN A 765 -12.370 -33.144 16.687 1.00 13.10 C ATOM 468 C GLN A 765 -13.713 -32.508 16.344 1.00 11.12 C ATOM 469 O GLN A 765 -13.782 -31.572 15.548 1.00 61.32 O ATOM 470 CB GLN A 765 -12.039 -34.241 15.673 1.00 21.51 C ATOM 471 CG GLN A 765 -10.711 -34.032 14.964 1.00 31.31 C ATOM 472 CD GLN A 765 -10.509 -34.993 13.809 1.00 31.51 C ATOM 473 OE1 GLN A 765 -10.581 -34.604 12.642 1.00 12.24 O ATOM 474 NE2 GLN A 765 -10.254 -36.257 14.127 1.00 32.22 N ATOM 0 H GLN A 765 -12.222 -34.697 18.088 1.00 70.00 H new ATOM 0 HA GLN A 765 -11.601 -32.373 16.642 1.00 13.10 H new ATOM 0 HB2 GLN A 765 -12.021 -35.204 16.184 1.00 21.51 H new ATOM 0 HB3 GLN A 765 -12.835 -34.290 14.930 1.00 21.51 H new ATOM 0 HG2 GLN A 765 -10.658 -33.008 14.593 1.00 31.31 H new ATOM 0 HG3 GLN A 765 -9.898 -34.154 15.680 1.00 31.31 H new ATOM 0 HE21 GLN A 765 -10.203 -36.536 15.107 1.00 32.22 H new ATOM 0 HE22 GLN A 765 -10.109 -36.949 13.391 1.00 32.22 H new ATOM 483 N GLN A 766 -14.778 -33.022 16.951 1.00 22.11 N ATOM 484 CA GLN A 766 -16.120 -32.504 16.708 1.00 21.03 C ATOM 485 C GLN A 766 -16.207 -31.027 17.076 1.00 14.42 C ATOM 486 O GLN A 766 -17.096 -30.312 16.613 1.00 32.11 O ATOM 487 CB GLN A 766 -17.150 -33.303 17.509 1.00 31.43 C ATOM 488 CG GLN A 766 -18.189 -33.997 16.642 1.00 43.21 C ATOM 489 CD GLN A 766 -19.583 -33.435 16.841 1.00 70.24 C ATOM 490 OE1 GLN A 766 -20.552 -34.182 16.972 1.00 75.45 O ATOM 491 NE2 GLN A 766 -19.691 -32.112 16.863 1.00 44.31 N ATOM 0 H GLN A 766 -14.738 -33.796 17.614 1.00 22.11 H new ATOM 0 HA GLN A 766 -16.336 -32.608 15.645 1.00 21.03 H new ATOM 0 HB2 GLN A 766 -16.631 -34.051 18.109 1.00 31.43 H new ATOM 0 HB3 GLN A 766 -17.657 -32.633 18.204 1.00 31.43 H new ATOM 0 HG2 GLN A 766 -17.907 -33.898 15.594 1.00 43.21 H new ATOM 0 HG3 GLN A 766 -18.195 -35.063 16.871 1.00 43.21 H new ATOM 0 HE21 GLN A 766 -18.861 -31.531 16.750 1.00 44.31 H new ATOM 0 HE22 GLN A 766 -20.604 -31.677 16.993 1.00 44.31 H new ATOM 500 N LEU A 767 -15.280 -30.575 17.913 1.00 5.10 N ATOM 501 CA LEU A 767 -15.252 -29.181 18.344 1.00 61.14 C ATOM 502 C LEU A 767 -15.345 -28.239 17.148 1.00 60.14 C ATOM 503 O LEU A 767 -16.157 -27.314 17.137 1.00 60.44 O ATOM 504 CB LEU A 767 -13.972 -28.896 19.133 1.00 1.14 C ATOM 505 CG LEU A 767 -14.004 -27.667 20.041 1.00 50.22 C ATOM 506 CD1 LEU A 767 -15.127 -27.783 21.060 1.00 62.34 C ATOM 507 CD2 LEU A 767 -12.664 -27.485 20.740 1.00 42.04 C ATOM 0 H LEU A 767 -14.538 -31.153 18.307 1.00 5.10 H new ATOM 0 HA LEU A 767 -16.115 -29.008 18.987 1.00 61.14 H new ATOM 0 HB2 LEU A 767 -13.744 -29.769 19.744 1.00 1.14 H new ATOM 0 HB3 LEU A 767 -13.151 -28.779 18.425 1.00 1.14 H new ATOM 0 HG LEU A 767 -14.192 -26.789 19.423 1.00 50.22 H new ATOM 0 HD11 LEU A 767 -15.133 -26.898 21.697 1.00 62.34 H new ATOM 0 HD12 LEU A 767 -16.082 -27.863 20.541 1.00 62.34 H new ATOM 0 HD13 LEU A 767 -14.972 -28.671 21.673 1.00 62.34 H new ATOM 0 HD21 LEU A 767 -12.705 -26.605 21.382 1.00 42.04 H new ATOM 0 HD22 LEU A 767 -12.446 -28.366 21.344 1.00 42.04 H new ATOM 0 HD23 LEU A 767 -11.880 -27.354 19.995 1.00 42.04 H new ATOM 519 N GLN A 768 -14.510 -28.483 16.143 1.00 21.11 N ATOM 520 CA GLN A 768 -14.500 -27.656 14.941 1.00 21.24 C ATOM 521 C GLN A 768 -15.434 -28.228 13.880 1.00 75.44 C ATOM 522 O GLN A 768 -15.738 -27.570 12.885 1.00 63.30 O ATOM 523 CB GLN A 768 -13.080 -27.548 14.383 1.00 71.21 C ATOM 524 CG GLN A 768 -12.592 -28.821 13.711 1.00 22.25 C ATOM 525 CD GLN A 768 -12.486 -28.682 12.206 1.00 73.34 C ATOM 526 OE1 GLN A 768 -13.159 -29.391 11.456 1.00 50.41 O ATOM 527 NE2 GLN A 768 -11.637 -27.766 11.753 1.00 71.41 N ATOM 0 H GLN A 768 -13.832 -29.245 16.137 1.00 21.11 H new ATOM 0 HA GLN A 768 -14.853 -26.661 15.211 1.00 21.24 H new ATOM 0 HB2 GLN A 768 -13.043 -26.730 13.664 1.00 71.21 H new ATOM 0 HB3 GLN A 768 -12.398 -27.291 15.194 1.00 71.21 H new ATOM 0 HG2 GLN A 768 -11.617 -29.091 14.117 1.00 22.25 H new ATOM 0 HG3 GLN A 768 -13.273 -29.638 13.950 1.00 22.25 H new ATOM 0 HE21 GLN A 768 -11.099 -27.200 12.409 1.00 71.41 H new ATOM 0 HE22 GLN A 768 -11.523 -27.629 10.749 1.00 71.41 H new ATOM 536 N LYS A 769 -15.887 -29.458 14.098 1.00 64.35 N ATOM 537 CA LYS A 769 -16.788 -30.120 13.161 1.00 22.21 C ATOM 538 C LYS A 769 -18.238 -29.746 13.446 1.00 32.52 C ATOM 539 O LYS A 769 -19.129 -30.019 12.639 1.00 3.33 O ATOM 540 CB LYS A 769 -16.615 -31.639 13.243 1.00 12.01 C ATOM 541 CG LYS A 769 -16.892 -32.353 11.931 1.00 64.04 C ATOM 542 CD LYS A 769 -15.809 -32.068 10.902 1.00 31.12 C ATOM 543 CE LYS A 769 -16.394 -31.919 9.506 1.00 22.24 C ATOM 544 NZ LYS A 769 -16.755 -33.235 8.911 1.00 22.35 N1+ ATOM 0 H LYS A 769 -15.645 -30.017 14.916 1.00 64.35 H new ATOM 0 HA LYS A 769 -16.536 -29.786 12.154 1.00 22.21 H new ATOM 0 HB2 LYS A 769 -15.597 -31.864 13.562 1.00 12.01 H new ATOM 0 HB3 LYS A 769 -17.283 -32.032 14.009 1.00 12.01 H new ATOM 0 HG2 LYS A 769 -16.955 -33.427 12.106 1.00 64.04 H new ATOM 0 HG3 LYS A 769 -17.859 -32.036 11.540 1.00 64.04 H new ATOM 0 HD2 LYS A 769 -15.277 -31.156 11.174 1.00 31.12 H new ATOM 0 HD3 LYS A 769 -15.078 -32.877 10.907 1.00 31.12 H new ATOM 0 HE2 LYS A 769 -17.280 -31.285 9.550 1.00 22.24 H new ATOM 0 HE3 LYS A 769 -15.673 -31.415 8.862 1.00 22.24 H new ATOM 0 HZ1 LYS A 769 -17.150 -33.089 7.960 1.00 22.35 H new ATOM 0 HZ2 LYS A 769 -15.905 -33.831 8.845 1.00 22.35 H new ATOM 0 HZ3 LYS A 769 -17.462 -33.705 9.511 1.00 22.35 H new ATOM 558 N TRP A 770 -18.469 -29.122 14.594 1.00 41.21 N ATOM 559 CA TRP A 770 -19.814 -28.709 14.983 1.00 23.21 C ATOM 560 C TRP A 770 -20.549 -28.072 13.810 1.00 61.04 C ATOM 561 O TRP A 770 -21.088 -28.770 12.952 1.00 13.12 O ATOM 562 CB TRP A 770 -19.749 -27.728 16.154 1.00 62.01 C ATOM 563 CG TRP A 770 -18.703 -26.669 15.984 1.00 4.32 C ATOM 564 CD1 TRP A 770 -17.888 -26.487 14.903 1.00 12.21 C ATOM 565 CD2 TRP A 770 -18.357 -25.647 16.926 1.00 65.22 C ATOM 566 NE1 TRP A 770 -17.057 -25.414 15.116 1.00 62.03 N ATOM 567 CE2 TRP A 770 -17.324 -24.881 16.350 1.00 60.23 C ATOM 568 CE3 TRP A 770 -18.818 -25.304 18.199 1.00 41.11 C ATOM 569 CZ2 TRP A 770 -16.749 -23.795 17.003 1.00 21.15 C ATOM 570 CZ3 TRP A 770 -18.246 -24.226 18.847 1.00 11.12 C ATOM 571 CH2 TRP A 770 -17.221 -23.481 18.249 1.00 52.22 C ATOM 0 H TRP A 770 -17.744 -28.890 15.273 1.00 41.21 H new ATOM 0 HA TRP A 770 -20.365 -29.597 15.292 1.00 23.21 H new ATOM 0 HB2 TRP A 770 -20.722 -27.252 16.274 1.00 62.01 H new ATOM 0 HB3 TRP A 770 -19.550 -28.281 17.072 1.00 62.01 H new ATOM 0 HD1 TRP A 770 -17.896 -27.097 14.012 1.00 12.21 H new ATOM 0 HE1 TRP A 770 -16.355 -25.070 14.461 1.00 62.03 H new ATOM 0 HE3 TRP A 770 -19.608 -25.871 18.669 1.00 41.11 H new ATOM 0 HZ2 TRP A 770 -15.959 -23.220 16.543 1.00 21.15 H new ATOM 0 HZ3 TRP A 770 -18.595 -23.953 19.832 1.00 11.12 H new ATOM 0 HH2 TRP A 770 -16.795 -22.643 18.781 1.00 52.22 H new ATOM 582 N GLU A 771 -20.565 -26.744 13.778 1.00 41.21 N ATOM 583 CA GLU A 771 -21.236 -26.014 12.708 1.00 4.44 C ATOM 584 C GLU A 771 -20.708 -26.443 11.343 1.00 71.54 C ATOM 585 O GLU A 771 -21.313 -26.152 10.311 1.00 44.10 O ATOM 586 CB GLU A 771 -21.043 -24.507 12.890 1.00 53.23 C ATOM 587 CG GLU A 771 -22.309 -23.699 12.659 1.00 73.33 C ATOM 588 CD GLU A 771 -23.067 -23.421 13.942 1.00 31.21 C ATOM 589 OE1 GLU A 771 -22.603 -22.574 14.733 1.00 4.11 O ATOM 590 OE2 GLU A 771 -24.123 -24.052 14.157 1.00 53.12 O1- ATOM 0 H GLU A 771 -20.122 -26.151 14.480 1.00 41.21 H new ATOM 0 HA GLU A 771 -22.300 -26.246 12.757 1.00 4.44 H new ATOM 0 HB2 GLU A 771 -20.679 -24.315 13.899 1.00 53.23 H new ATOM 0 HB3 GLU A 771 -20.271 -24.162 12.202 1.00 53.23 H new ATOM 0 HG2 GLU A 771 -22.050 -22.753 12.183 1.00 73.33 H new ATOM 0 HG3 GLU A 771 -22.958 -24.237 11.968 1.00 73.33 H new ATOM 597 N ASP A 772 -19.575 -27.139 11.345 1.00 52.53 N ATOM 598 CA ASP A 772 -18.965 -27.610 10.107 1.00 12.22 C ATOM 599 C ASP A 772 -19.986 -28.342 9.242 1.00 23.21 C ATOM 600 O ASP A 772 -19.894 -28.335 8.015 1.00 41.54 O ATOM 601 CB ASP A 772 -17.784 -28.532 10.414 1.00 44.32 C ATOM 602 CG ASP A 772 -16.799 -28.613 9.264 1.00 0.12 C ATOM 603 OD1 ASP A 772 -17.244 -28.581 8.098 1.00 0.13 O ATOM 604 OD2 ASP A 772 -15.582 -28.707 9.531 1.00 31.34 O1- ATOM 0 H ASP A 772 -19.061 -27.389 12.190 1.00 52.53 H new ATOM 0 HA ASP A 772 -18.604 -26.742 9.556 1.00 12.22 H new ATOM 0 HB2 ASP A 772 -17.269 -28.174 11.305 1.00 44.32 H new ATOM 0 HB3 ASP A 772 -18.156 -29.531 10.641 1.00 44.32 H new ATOM 609 N TRP A 773 -20.958 -28.975 9.890 1.00 45.31 N ATOM 610 CA TRP A 773 -21.995 -29.714 9.180 1.00 51.44 C ATOM 611 C TRP A 773 -22.660 -28.838 8.123 1.00 22.42 C ATOM 612 O TRP A 773 -23.152 -29.337 7.111 1.00 34.33 O ATOM 613 CB TRP A 773 -23.045 -30.232 10.164 1.00 73.20 C ATOM 614 CG TRP A 773 -22.456 -30.967 11.330 1.00 63.23 C ATOM 615 CD1 TRP A 773 -21.278 -31.658 11.352 1.00 42.33 C ATOM 616 CD2 TRP A 773 -23.017 -31.084 12.642 1.00 63.41 C ATOM 617 NE1 TRP A 773 -21.073 -32.199 12.598 1.00 1.12 N ATOM 618 CE2 TRP A 773 -22.125 -31.860 13.408 1.00 13.13 C ATOM 619 CE3 TRP A 773 -24.184 -30.608 13.244 1.00 54.21 C ATOM 620 CZ2 TRP A 773 -22.368 -32.170 14.744 1.00 44.04 C ATOM 621 CZ3 TRP A 773 -24.423 -30.917 14.569 1.00 22.03 C ATOM 622 CH2 TRP A 773 -23.518 -31.691 15.308 1.00 21.52 C ATOM 0 H TRP A 773 -21.049 -28.991 10.906 1.00 45.31 H new ATOM 0 HA TRP A 773 -21.526 -30.562 8.681 1.00 51.44 H new ATOM 0 HB2 TRP A 773 -23.633 -29.391 10.533 1.00 73.20 H new ATOM 0 HB3 TRP A 773 -23.732 -30.894 9.636 1.00 73.20 H new ATOM 0 HD1 TRP A 773 -20.606 -31.764 10.513 1.00 42.33 H new ATOM 0 HE1 TRP A 773 -20.269 -32.762 12.875 1.00 1.12 H new ATOM 0 HE3 TRP A 773 -24.887 -30.009 12.684 1.00 54.21 H new ATOM 0 HZ2 TRP A 773 -21.673 -32.768 15.315 1.00 44.04 H new ATOM 0 HZ3 TRP A 773 -25.323 -30.556 15.044 1.00 22.03 H new ATOM 0 HH2 TRP A 773 -23.733 -31.913 16.343 1.00 21.52 H new ATOM 633 N VAL A 774 -22.669 -27.532 8.363 1.00 0.54 N ATOM 634 CA VAL A 774 -23.272 -26.587 7.431 1.00 15.10 C ATOM 635 C VAL A 774 -22.629 -26.688 6.053 1.00 70.25 C ATOM 636 O VAL A 774 -23.222 -26.294 5.049 1.00 43.55 O ATOM 637 CB VAL A 774 -23.146 -25.138 7.939 1.00 31.42 C ATOM 638 CG1 VAL A 774 -21.702 -24.668 7.858 1.00 54.33 C ATOM 639 CG2 VAL A 774 -24.061 -24.215 7.149 1.00 73.21 C ATOM 0 H VAL A 774 -22.265 -27.103 9.196 1.00 0.54 H new ATOM 0 HA VAL A 774 -24.328 -26.847 7.356 1.00 15.10 H new ATOM 0 HB VAL A 774 -23.454 -25.110 8.984 1.00 31.42 H new ATOM 0 HG11 VAL A 774 -21.632 -23.643 8.221 1.00 54.33 H new ATOM 0 HG12 VAL A 774 -21.074 -25.314 8.472 1.00 54.33 H new ATOM 0 HG13 VAL A 774 -21.363 -24.710 6.823 1.00 54.33 H new ATOM 0 HG21 VAL A 774 -23.959 -23.196 7.521 1.00 73.21 H new ATOM 0 HG22 VAL A 774 -23.786 -24.245 6.095 1.00 73.21 H new ATOM 0 HG23 VAL A 774 -25.095 -24.542 7.264 1.00 73.21 H new ATOM 649 N ARG A 775 -21.412 -27.221 6.012 1.00 60.34 N ATOM 650 CA ARG A 775 -20.686 -27.374 4.756 1.00 32.25 C ATOM 651 C ARG A 775 -21.547 -28.081 3.713 1.00 14.34 C ATOM 652 O ARG A 775 -21.370 -27.885 2.512 1.00 54.24 O ATOM 653 CB ARG A 775 -19.393 -28.160 4.983 1.00 51.40 C ATOM 654 CG ARG A 775 -18.338 -27.915 3.917 1.00 35.42 C ATOM 655 CD ARG A 775 -16.936 -28.150 4.456 1.00 13.44 C ATOM 656 NE ARG A 775 -16.434 -29.478 4.117 1.00 3.21 N ATOM 657 CZ ARG A 775 -15.386 -30.042 4.709 1.00 1.55 C ATOM 658 NH1 ARG A 775 -14.735 -29.395 5.667 1.00 13.14 N ATOM 659 NH2 ARG A 775 -14.990 -31.254 4.345 1.00 5.01 N1+ ATOM 0 H ARG A 775 -20.908 -27.554 6.834 1.00 60.34 H new ATOM 0 HA ARG A 775 -20.439 -26.380 4.384 1.00 32.25 H new ATOM 0 HB2 ARG A 775 -18.982 -27.894 5.957 1.00 51.40 H new ATOM 0 HB3 ARG A 775 -19.625 -29.224 5.015 1.00 51.40 H new ATOM 0 HG2 ARG A 775 -18.518 -28.574 3.068 1.00 35.42 H new ATOM 0 HG3 ARG A 775 -18.421 -26.892 3.550 1.00 35.42 H new ATOM 0 HD2 ARG A 775 -16.262 -27.394 4.053 1.00 13.44 H new ATOM 0 HD3 ARG A 775 -16.939 -28.030 5.539 1.00 13.44 H new ATOM 0 HE ARG A 775 -16.914 -30.002 3.385 1.00 3.21 H new ATOM 0 HH11 ARG A 775 -15.039 -28.463 5.950 1.00 13.14 H new ATOM 0 HH12 ARG A 775 -13.931 -29.829 6.120 1.00 13.14 H new ATOM 0 HH21 ARG A 775 -15.490 -31.754 3.610 1.00 5.01 H new ATOM 0 HH22 ARG A 775 -14.186 -31.686 4.800 1.00 5.01 H new ATOM 673 N TRP A 776 -22.480 -28.902 4.183 1.00 71.32 N ATOM 674 CA TRP A 776 -23.368 -29.639 3.290 1.00 14.34 C ATOM 675 C TRP A 776 -24.244 -28.685 2.486 1.00 63.04 C ATOM 676 O TRP A 776 -24.497 -28.910 1.301 1.00 22.12 O ATOM 677 CB TRP A 776 -24.245 -30.602 4.092 1.00 33.30 C ATOM 678 CG TRP A 776 -25.586 -30.843 3.467 1.00 1.15 C ATOM 679 CD1 TRP A 776 -25.832 -31.294 2.202 1.00 71.24 C ATOM 680 CD2 TRP A 776 -26.866 -30.646 4.080 1.00 43.14 C ATOM 681 NE1 TRP A 776 -27.186 -31.387 1.990 1.00 30.52 N ATOM 682 CE2 TRP A 776 -27.842 -30.997 3.128 1.00 41.13 C ATOM 683 CE3 TRP A 776 -27.280 -30.209 5.341 1.00 41.53 C ATOM 684 CZ2 TRP A 776 -29.206 -30.922 3.398 1.00 62.51 C ATOM 685 CZ3 TRP A 776 -28.634 -30.134 5.608 1.00 72.24 C ATOM 686 CH2 TRP A 776 -29.584 -30.490 4.641 1.00 25.21 C ATOM 0 H TRP A 776 -22.641 -29.074 5.175 1.00 71.32 H new ATOM 0 HA TRP A 776 -22.753 -30.211 2.595 1.00 14.34 H new ATOM 0 HB2 TRP A 776 -23.725 -31.554 4.198 1.00 33.30 H new ATOM 0 HB3 TRP A 776 -24.386 -30.203 5.096 1.00 33.30 H new ATOM 0 HD1 TRP A 776 -25.073 -31.541 1.475 1.00 71.24 H new ATOM 0 HE1 TRP A 776 -27.631 -31.696 1.126 1.00 30.52 H new ATOM 0 HE3 TRP A 776 -26.555 -29.935 6.093 1.00 41.53 H new ATOM 0 HZ2 TRP A 776 -29.939 -31.195 2.654 1.00 62.51 H new ATOM 0 HZ3 TRP A 776 -28.966 -29.795 6.578 1.00 72.24 H new ATOM 0 HH2 TRP A 776 -30.635 -30.422 4.881 1.00 25.21 H new ATOM 697 N ILE A 777 -24.703 -27.620 3.134 1.00 65.25 N ATOM 698 CA ILE A 777 -25.549 -26.631 2.476 1.00 24.22 C ATOM 699 C ILE A 777 -24.721 -25.469 1.940 1.00 4.43 C ATOM 700 O ILE A 777 -25.159 -24.319 1.961 1.00 35.11 O ATOM 701 CB ILE A 777 -26.624 -26.084 3.434 1.00 62.04 C ATOM 702 CG1 ILE A 777 -27.174 -27.208 4.314 1.00 50.12 C ATOM 703 CG2 ILE A 777 -27.745 -25.421 2.649 1.00 72.45 C ATOM 704 CD1 ILE A 777 -28.265 -26.756 5.259 1.00 32.14 C ATOM 0 H ILE A 777 -24.504 -27.419 4.114 1.00 65.25 H new ATOM 0 HA ILE A 777 -26.039 -27.137 1.645 1.00 24.22 H new ATOM 0 HB ILE A 777 -26.167 -25.334 4.080 1.00 62.04 H new ATOM 0 HG12 ILE A 777 -27.563 -28.001 3.676 1.00 50.12 H new ATOM 0 HG13 ILE A 777 -26.357 -27.637 4.894 1.00 50.12 H new ATOM 0 HG21 ILE A 777 -28.497 -25.040 3.340 1.00 72.45 H new ATOM 0 HG22 ILE A 777 -27.340 -24.597 2.062 1.00 72.45 H new ATOM 0 HG23 ILE A 777 -28.203 -26.151 1.981 1.00 72.45 H new ATOM 0 HD11 ILE A 777 -28.608 -27.604 5.851 1.00 32.14 H new ATOM 0 HD12 ILE A 777 -27.875 -25.984 5.922 1.00 32.14 H new ATOM 0 HD13 ILE A 777 -29.100 -26.353 4.685 1.00 32.14 H new ATOM 716 N GLY A 778 -23.520 -25.776 1.460 1.00 0.21 N ATOM 717 CA GLY A 778 -22.649 -24.746 0.924 1.00 52.11 C ATOM 718 C GLY A 778 -22.859 -24.524 -0.561 1.00 53.15 C ATOM 719 O GLY A 778 -21.899 -24.430 -1.323 1.00 1.01 O ATOM 0 H GLY A 778 -23.134 -26.720 1.433 1.00 0.21 H new ATOM 0 HA2 GLY A 778 -22.826 -23.812 1.457 1.00 52.11 H new ATOM 0 HA3 GLY A 778 -21.610 -25.023 1.103 1.00 52.11 H new ATOM 723 N ASN A 779 -24.120 -24.443 -0.973 1.00 34.42 N ATOM 724 CA ASN A 779 -24.454 -24.234 -2.378 1.00 34.24 C ATOM 725 C ASN A 779 -25.560 -23.193 -2.526 1.00 22.33 C ATOM 726 O ASN A 779 -25.881 -22.768 -3.635 1.00 45.11 O ATOM 727 CB ASN A 779 -24.889 -25.552 -3.022 1.00 12.42 C ATOM 728 CG ASN A 779 -23.713 -26.452 -3.347 1.00 24.21 C ATOM 729 OD1 ASN A 779 -23.630 -27.581 -2.864 1.00 22.44 O ATOM 730 ND2 ASN A 779 -22.797 -25.955 -4.169 1.00 61.13 N ATOM 0 H ASN A 779 -24.927 -24.519 -0.354 1.00 34.42 H new ATOM 0 HA ASN A 779 -23.563 -23.866 -2.886 1.00 34.24 H new ATOM 0 HB2 ASN A 779 -25.568 -26.075 -2.349 1.00 12.42 H new ATOM 0 HB3 ASN A 779 -25.445 -25.341 -3.936 1.00 12.42 H new ATOM 0 HD21 ASN A 779 -21.983 -26.515 -4.424 1.00 61.13 H new ATOM 0 HD22 ASN A 779 -22.907 -25.014 -4.546 1.00 61.13 H new ATOM 737 N ILE A 780 -26.138 -22.789 -1.399 1.00 72.13 N ATOM 738 CA ILE A 780 -27.206 -21.797 -1.404 1.00 21.13 C ATOM 739 C ILE A 780 -26.851 -20.610 -2.293 1.00 10.12 C ATOM 740 O ILE A 780 -25.684 -20.347 -2.583 1.00 32.30 O ATOM 741 CB ILE A 780 -27.506 -21.287 0.019 1.00 71.33 C ATOM 742 CG1 ILE A 780 -28.936 -21.654 0.424 1.00 3.15 C ATOM 743 CG2 ILE A 780 -27.297 -19.782 0.097 1.00 20.22 C ATOM 744 CD1 ILE A 780 -29.644 -20.560 1.191 1.00 15.04 C ATOM 0 H ILE A 780 -25.885 -23.133 -0.473 1.00 72.13 H new ATOM 0 HA ILE A 780 -28.094 -22.291 -1.800 1.00 21.13 H new ATOM 0 HB ILE A 780 -26.817 -21.766 0.714 1.00 71.33 H new ATOM 0 HG12 ILE A 780 -29.510 -21.889 -0.472 1.00 3.15 H new ATOM 0 HG13 ILE A 780 -28.912 -22.557 1.033 1.00 3.15 H new ATOM 0 HG21 ILE A 780 -27.513 -19.437 1.108 1.00 20.22 H new ATOM 0 HG22 ILE A 780 -26.263 -19.545 -0.155 1.00 20.22 H new ATOM 0 HG23 ILE A 780 -27.965 -19.285 -0.606 1.00 20.22 H new ATOM 0 HD11 ILE A 780 -30.652 -20.888 1.446 1.00 15.04 H new ATOM 0 HD12 ILE A 780 -29.092 -20.341 2.105 1.00 15.04 H new ATOM 0 HD13 ILE A 780 -29.699 -19.662 0.576 1.00 15.04 H new ATOM 756 N PRO A 781 -27.881 -19.874 -2.736 1.00 1.44 N ATOM 757 CA PRO A 781 -27.703 -18.700 -3.596 1.00 73.14 C ATOM 758 C PRO A 781 -27.058 -17.532 -2.858 1.00 64.41 C ATOM 759 O PRO A 781 -27.376 -16.373 -3.117 1.00 1.55 O ATOM 760 CB PRO A 781 -29.133 -18.346 -4.013 1.00 2.54 C ATOM 761 CG PRO A 781 -29.990 -18.888 -2.921 1.00 72.45 C ATOM 762 CD PRO A 781 -29.299 -20.129 -2.429 1.00 62.51 C ATOM 0 HA PRO A 781 -27.038 -18.907 -4.435 1.00 73.14 H new ATOM 0 HB2 PRO A 781 -29.260 -17.269 -4.118 1.00 2.54 H new ATOM 0 HB3 PRO A 781 -29.387 -18.792 -4.974 1.00 2.54 H new ATOM 0 HG2 PRO A 781 -30.104 -18.161 -2.117 1.00 72.45 H new ATOM 0 HG3 PRO A 781 -30.990 -19.118 -3.288 1.00 72.45 H new ATOM 0 HD2 PRO A 781 -29.458 -20.281 -1.361 1.00 62.51 H new ATOM 0 HD3 PRO A 781 -29.666 -21.021 -2.936 1.00 62.51 H new ATOM 770 N GLN A 782 -26.151 -17.848 -1.939 1.00 22.11 N ATOM 771 CA GLN A 782 -25.461 -16.823 -1.164 1.00 35.24 C ATOM 772 C GLN A 782 -24.263 -16.273 -1.932 1.00 35.30 C ATOM 773 O GLN A 782 -23.797 -15.165 -1.663 1.00 64.43 O ATOM 774 CB GLN A 782 -25.003 -17.392 0.180 1.00 24.10 C ATOM 775 CG GLN A 782 -24.379 -16.355 1.100 1.00 41.24 C ATOM 776 CD GLN A 782 -24.653 -16.633 2.565 1.00 71.34 C ATOM 777 OE1 GLN A 782 -25.187 -15.786 3.280 1.00 54.14 O ATOM 778 NE2 GLN A 782 -24.287 -17.826 3.019 1.00 40.32 N ATOM 0 H GLN A 782 -25.877 -18.804 -1.713 1.00 22.11 H new ATOM 0 HA GLN A 782 -26.160 -16.006 -0.985 1.00 35.24 H new ATOM 0 HB2 GLN A 782 -25.857 -17.845 0.683 1.00 24.10 H new ATOM 0 HB3 GLN A 782 -24.280 -18.188 0.001 1.00 24.10 H new ATOM 0 HG2 GLN A 782 -23.302 -16.329 0.934 1.00 41.24 H new ATOM 0 HG3 GLN A 782 -24.765 -15.368 0.843 1.00 41.24 H new ATOM 0 HE21 GLN A 782 -23.847 -18.498 2.390 1.00 40.32 H new ATOM 0 HE22 GLN A 782 -24.446 -18.070 3.996 1.00 40.32 H new ATOM 787 N TYR A 783 -23.770 -17.054 -2.886 1.00 52.20 N ATOM 788 CA TYR A 783 -22.625 -16.647 -3.692 1.00 5.41 C ATOM 789 C TYR A 783 -23.003 -15.516 -4.644 1.00 11.12 C ATOM 790 O TYR A 783 -22.242 -14.566 -4.831 1.00 62.25 O ATOM 791 CB TYR A 783 -22.083 -17.837 -4.484 1.00 23.01 C ATOM 792 CG TYR A 783 -21.178 -17.440 -5.628 1.00 43.15 C ATOM 793 CD1 TYR A 783 -21.692 -17.208 -6.899 1.00 52.30 C ATOM 794 CD2 TYR A 783 -19.809 -17.299 -5.441 1.00 5.30 C ATOM 795 CE1 TYR A 783 -20.868 -16.846 -7.947 1.00 72.41 C ATOM 796 CE2 TYR A 783 -18.978 -16.935 -6.483 1.00 71.53 C ATOM 797 CZ TYR A 783 -19.513 -16.710 -7.734 1.00 70.51 C ATOM 798 OH TYR A 783 -18.688 -16.351 -8.777 1.00 11.33 O ATOM 0 H TYR A 783 -24.145 -17.973 -3.120 1.00 52.20 H new ATOM 0 HA TYR A 783 -21.849 -16.285 -3.018 1.00 5.41 H new ATOM 0 HB2 TYR A 783 -21.534 -18.493 -3.808 1.00 23.01 H new ATOM 0 HB3 TYR A 783 -22.921 -18.413 -4.877 1.00 23.01 H new ATOM 0 HD1 TYR A 783 -22.753 -17.313 -7.070 1.00 52.30 H new ATOM 0 HD2 TYR A 783 -19.386 -17.477 -4.463 1.00 5.30 H new ATOM 0 HE1 TYR A 783 -21.283 -16.670 -8.928 1.00 72.41 H new ATOM 0 HE2 TYR A 783 -17.916 -16.827 -6.319 1.00 71.53 H new ATOM 0 HH TYR A 783 -17.763 -16.298 -8.459 1.00 11.33 H new ATOM 808 N LEU A 784 -24.184 -15.626 -5.242 1.00 40.34 N ATOM 809 CA LEU A 784 -24.665 -14.613 -6.175 1.00 34.10 C ATOM 810 C LEU A 784 -25.383 -13.488 -5.436 1.00 64.43 C ATOM 811 O LEU A 784 -25.443 -12.356 -5.914 1.00 74.54 O ATOM 812 CB LEU A 784 -25.606 -15.245 -7.203 1.00 15.21 C ATOM 813 CG LEU A 784 -25.677 -14.552 -8.564 1.00 64.51 C ATOM 814 CD1 LEU A 784 -24.302 -14.511 -9.214 1.00 32.13 C ATOM 815 CD2 LEU A 784 -26.676 -15.256 -9.470 1.00 12.21 C ATOM 0 H LEU A 784 -24.826 -16.406 -5.098 1.00 40.34 H new ATOM 0 HA LEU A 784 -23.803 -14.191 -6.691 1.00 34.10 H new ATOM 0 HB2 LEU A 784 -25.298 -16.279 -7.360 1.00 15.21 H new ATOM 0 HB3 LEU A 784 -26.610 -15.272 -6.779 1.00 15.21 H new ATOM 0 HG LEU A 784 -26.015 -13.527 -8.411 1.00 64.51 H new ATOM 0 HD11 LEU A 784 -24.372 -14.014 -10.182 1.00 32.13 H new ATOM 0 HD12 LEU A 784 -23.613 -13.961 -8.573 1.00 32.13 H new ATOM 0 HD13 LEU A 784 -23.935 -15.528 -9.354 1.00 32.13 H new ATOM 0 HD21 LEU A 784 -26.713 -14.749 -10.434 1.00 12.21 H new ATOM 0 HD22 LEU A 784 -26.368 -16.291 -9.616 1.00 12.21 H new ATOM 0 HD23 LEU A 784 -27.664 -15.233 -9.010 1.00 12.21 H new ATOM 827 N LYS A 785 -25.924 -13.808 -4.265 1.00 33.11 N ATOM 828 CA LYS A 785 -26.634 -12.825 -3.457 1.00 14.11 C ATOM 829 C LYS A 785 -26.586 -13.199 -1.979 1.00 13.41 C ATOM 830 O LYS A 785 -27.319 -14.078 -1.527 1.00 44.25 O ATOM 831 CB LYS A 785 -28.090 -12.711 -3.917 1.00 40.22 C ATOM 832 CG LYS A 785 -28.944 -11.831 -3.020 1.00 62.13 C ATOM 833 CD LYS A 785 -29.803 -12.661 -2.081 1.00 15.12 C ATOM 834 CE LYS A 785 -29.529 -12.316 -0.626 1.00 15.35 C ATOM 835 NZ LYS A 785 -30.178 -11.036 -0.227 1.00 50.40 N1+ ATOM 0 H LYS A 785 -25.884 -14.741 -3.855 1.00 33.11 H new ATOM 0 HA LYS A 785 -26.141 -11.861 -3.587 1.00 14.11 H new ATOM 0 HB2 LYS A 785 -28.112 -12.312 -4.931 1.00 40.22 H new ATOM 0 HB3 LYS A 785 -28.529 -13.708 -3.958 1.00 40.22 H new ATOM 0 HG2 LYS A 785 -28.301 -11.170 -2.438 1.00 62.13 H new ATOM 0 HG3 LYS A 785 -29.583 -11.196 -3.633 1.00 62.13 H new ATOM 0 HD2 LYS A 785 -30.856 -12.492 -2.304 1.00 15.12 H new ATOM 0 HD3 LYS A 785 -29.608 -13.720 -2.248 1.00 15.12 H new ATOM 0 HE2 LYS A 785 -29.892 -13.121 0.013 1.00 15.35 H new ATOM 0 HE3 LYS A 785 -28.453 -12.243 -0.467 1.00 15.35 H new ATOM 0 HZ1 LYS A 785 -29.967 -10.836 0.772 1.00 50.40 H new ATOM 0 HZ2 LYS A 785 -29.813 -10.263 -0.819 1.00 50.40 H new ATOM 0 HZ3 LYS A 785 -31.207 -11.114 -0.355 1.00 50.40 H new