USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=7 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 Set 1.1: A 743 GLN : amide:sc= -0.0463 K(o=-0.021,f=-1) USER MOD Set 1.2: A 747 TYR OH : rot 63:sc= 0.025 USER MOD Single : A 739 THR OG1 : rot -14:sc= 0.725 USER MOD Single : A 740 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 744 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1.9!) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 755 GLN : amide:sc= -0.021 K(o=-0.021,f=-2!) USER MOD Single : A 756 ASN :FLIP amide:sc= 0.311 F(o=-0.23,f=0.31) USER MOD Single : A 757 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.7) USER MOD Single : A 759 GLN : amide:sc= -0.787 X(o=-0.79,f=-1.1) USER MOD Single : A 761 LYS NZ :NH3+ 170:sc=-0.000996 (180deg=-0.0794) USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 765 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.1) USER MOD Single : A 766 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.2!) USER MOD Single : A 768 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.7!) USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.2!) USER MOD Single : A 782 GLN : amide:sc= -0.0905 X(o=-0.09,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 -1.919 -1.463 4.865 1.00 44.22 N ATOM 38 CA THR A 739 -1.259 -2.632 5.431 1.00 73.34 C ATOM 39 C THR A 739 -1.956 -3.093 6.705 1.00 12.54 C ATOM 40 O THR A 739 -1.807 -4.240 7.128 1.00 42.20 O ATOM 41 CB THR A 739 0.222 -2.345 5.743 1.00 32.53 C ATOM 42 OG1 THR A 739 0.443 -0.933 5.818 1.00 73.34 O ATOM 43 CG2 THR A 739 1.126 -2.950 4.680 1.00 71.11 C ATOM 0 HA THR A 739 -1.318 -3.422 4.682 1.00 73.34 H new ATOM 0 HB THR A 739 0.463 -2.800 6.704 1.00 32.53 H new ATOM 0 HG1 THR A 739 -0.331 -0.461 5.446 1.00 73.34 H new ATOM 0 HG21 THR A 739 2.167 -2.734 4.922 1.00 71.11 H new ATOM 0 HG22 THR A 739 0.977 -4.029 4.647 1.00 71.11 H new ATOM 0 HG23 THR A 739 0.883 -2.521 3.708 1.00 71.11 H new ATOM 51 N LYS A 740 -2.719 -2.193 7.316 1.00 1.31 N ATOM 52 CA LYS A 740 -3.442 -2.506 8.542 1.00 4.33 C ATOM 53 C LYS A 740 -4.732 -3.258 8.237 1.00 74.43 C ATOM 54 O LYS A 740 -4.935 -4.379 8.703 1.00 61.11 O ATOM 55 CB LYS A 740 -3.757 -1.223 9.315 1.00 25.35 C ATOM 56 CG LYS A 740 -2.556 -0.639 10.040 1.00 72.42 C ATOM 57 CD LYS A 740 -1.616 0.069 9.080 1.00 73.33 C ATOM 58 CE LYS A 740 -1.050 1.342 9.691 1.00 23.11 C ATOM 59 NZ LYS A 740 -0.209 1.057 10.885 1.00 2.13 N1+ ATOM 0 H LYS A 740 -2.853 -1.239 6.981 1.00 1.31 H new ATOM 0 HA LYS A 740 -2.807 -3.145 9.155 1.00 4.33 H new ATOM 0 HB2 LYS A 740 -4.150 -0.479 8.622 1.00 25.35 H new ATOM 0 HB3 LYS A 740 -4.544 -1.430 10.041 1.00 25.35 H new ATOM 0 HG2 LYS A 740 -2.896 0.063 10.802 1.00 72.42 H new ATOM 0 HG3 LYS A 740 -2.019 -1.435 10.556 1.00 72.42 H new ATOM 0 HD2 LYS A 740 -0.799 -0.600 8.809 1.00 73.33 H new ATOM 0 HD3 LYS A 740 -2.148 0.311 8.160 1.00 73.33 H new ATOM 0 HE2 LYS A 740 -0.455 1.869 8.945 1.00 23.11 H new ATOM 0 HE3 LYS A 740 -1.868 2.005 9.973 1.00 23.11 H new ATOM 0 HZ1 LYS A 740 0.213 1.942 11.232 1.00 2.13 H new ATOM 0 HZ2 LYS A 740 -0.798 0.638 11.633 1.00 2.13 H new ATOM 0 HZ3 LYS A 740 0.547 0.391 10.626 1.00 2.13 H new ATOM 73 N ASP A 741 -5.602 -2.635 7.449 1.00 13.03 N ATOM 74 CA ASP A 741 -6.873 -3.247 7.078 1.00 11.32 C ATOM 75 C ASP A 741 -6.651 -4.463 6.186 1.00 65.41 C ATOM 76 O ASP A 741 -7.136 -5.557 6.476 1.00 21.34 O ATOM 77 CB ASP A 741 -7.764 -2.229 6.362 1.00 1.25 C ATOM 78 CG ASP A 741 -8.316 -1.179 7.306 1.00 12.23 C ATOM 79 OD1 ASP A 741 -7.682 -0.111 7.443 1.00 74.23 O ATOM 80 OD2 ASP A 741 -9.383 -1.424 7.908 1.00 23.41 O1- ATOM 0 H ASP A 741 -5.450 -1.707 7.055 1.00 13.03 H new ATOM 0 HA ASP A 741 -7.370 -3.575 7.991 1.00 11.32 H new ATOM 0 HB2 ASP A 741 -7.191 -1.740 5.574 1.00 1.25 H new ATOM 0 HB3 ASP A 741 -8.591 -2.750 5.879 1.00 1.25 H new ATOM 85 N LEU A 742 -5.915 -4.265 5.097 1.00 23.01 N ATOM 86 CA LEU A 742 -5.628 -5.346 4.160 1.00 75.14 C ATOM 87 C LEU A 742 -5.165 -6.598 4.898 1.00 2.33 C ATOM 88 O LEU A 742 -5.612 -7.705 4.601 1.00 52.21 O ATOM 89 CB LEU A 742 -4.561 -4.907 3.156 1.00 24.33 C ATOM 90 CG LEU A 742 -4.180 -5.934 2.089 1.00 75.03 C ATOM 91 CD1 LEU A 742 -3.155 -6.916 2.634 1.00 15.15 C ATOM 92 CD2 LEU A 742 -5.417 -6.671 1.594 1.00 1.00 C ATOM 0 H LEU A 742 -5.506 -3.366 4.841 1.00 23.01 H new ATOM 0 HA LEU A 742 -6.547 -5.583 3.624 1.00 75.14 H new ATOM 0 HB2 LEU A 742 -4.912 -4.005 2.655 1.00 24.33 H new ATOM 0 HB3 LEU A 742 -3.661 -4.635 3.708 1.00 24.33 H new ATOM 0 HG LEU A 742 -3.733 -5.406 1.246 1.00 75.03 H new ATOM 0 HD11 LEU A 742 -2.896 -7.639 1.860 1.00 15.15 H new ATOM 0 HD12 LEU A 742 -2.259 -6.375 2.939 1.00 15.15 H new ATOM 0 HD13 LEU A 742 -3.574 -7.439 3.494 1.00 15.15 H new ATOM 0 HD21 LEU A 742 -5.128 -7.398 0.835 1.00 1.00 H new ATOM 0 HD22 LEU A 742 -5.892 -7.187 2.429 1.00 1.00 H new ATOM 0 HD23 LEU A 742 -6.118 -5.956 1.163 1.00 1.00 H new ATOM 104 N GLN A 743 -4.268 -6.413 5.862 1.00 63.14 N ATOM 105 CA GLN A 743 -3.746 -7.527 6.643 1.00 73.32 C ATOM 106 C GLN A 743 -4.676 -7.860 7.804 1.00 22.44 C ATOM 107 O GLN A 743 -4.655 -8.974 8.328 1.00 72.33 O ATOM 108 CB GLN A 743 -2.348 -7.197 7.170 1.00 32.32 C ATOM 109 CG GLN A 743 -1.340 -6.894 6.075 1.00 70.23 C ATOM 110 CD GLN A 743 0.070 -6.733 6.607 1.00 31.30 C ATOM 111 OE1 GLN A 743 0.313 -6.876 7.806 1.00 62.15 O ATOM 112 NE2 GLN A 743 1.008 -6.435 5.717 1.00 44.53 N ATOM 0 H GLN A 743 -3.888 -5.502 6.120 1.00 63.14 H new ATOM 0 HA GLN A 743 -3.684 -8.398 5.991 1.00 73.32 H new ATOM 0 HB2 GLN A 743 -2.414 -6.339 7.839 1.00 32.32 H new ATOM 0 HB3 GLN A 743 -1.985 -8.036 7.764 1.00 32.32 H new ATOM 0 HG2 GLN A 743 -1.357 -7.698 5.339 1.00 70.23 H new ATOM 0 HG3 GLN A 743 -1.635 -5.981 5.557 1.00 70.23 H new ATOM 0 HE21 GLN A 743 0.761 -6.326 4.733 1.00 44.53 H new ATOM 0 HE22 GLN A 743 1.976 -6.315 6.017 1.00 44.53 H new ATOM 121 N GLN A 744 -5.489 -6.888 8.203 1.00 54.12 N ATOM 122 CA GLN A 744 -6.426 -7.079 9.304 1.00 72.14 C ATOM 123 C GLN A 744 -7.412 -8.199 8.992 1.00 73.44 C ATOM 124 O GLN A 744 -7.980 -8.811 9.896 1.00 32.22 O ATOM 125 CB GLN A 744 -7.184 -5.781 9.588 1.00 64.44 C ATOM 126 CG GLN A 744 -8.401 -5.969 10.479 1.00 12.20 C ATOM 127 CD GLN A 744 -8.751 -4.718 11.261 1.00 62.31 C ATOM 128 OE1 GLN A 744 -8.054 -3.707 11.180 1.00 42.40 O ATOM 129 NE2 GLN A 744 -9.836 -4.781 12.023 1.00 74.03 N ATOM 0 H GLN A 744 -5.518 -5.960 7.781 1.00 54.12 H new ATOM 0 HA GLN A 744 -5.855 -7.359 10.189 1.00 72.14 H new ATOM 0 HB2 GLN A 744 -6.506 -5.070 10.059 1.00 64.44 H new ATOM 0 HB3 GLN A 744 -7.501 -5.341 8.642 1.00 64.44 H new ATOM 0 HG2 GLN A 744 -9.254 -6.260 9.866 1.00 12.20 H new ATOM 0 HG3 GLN A 744 -8.214 -6.787 11.174 1.00 12.20 H new ATOM 0 HE21 GLN A 744 -10.384 -5.640 12.060 1.00 74.03 H new ATOM 0 HE22 GLN A 744 -10.122 -3.970 12.572 1.00 74.03 H new ATOM 138 N LYS A 745 -7.612 -8.464 7.704 1.00 14.24 N ATOM 139 CA LYS A 745 -8.529 -9.511 7.272 1.00 54.21 C ATOM 140 C LYS A 745 -7.834 -10.869 7.253 1.00 40.44 C ATOM 141 O LYS A 745 -8.308 -11.828 7.862 1.00 12.15 O ATOM 142 CB LYS A 745 -9.083 -9.190 5.882 1.00 23.40 C ATOM 143 CG LYS A 745 -9.125 -7.704 5.571 1.00 1.33 C ATOM 144 CD LYS A 745 -9.941 -7.417 4.322 1.00 32.54 C ATOM 145 CE LYS A 745 -11.411 -7.747 4.529 1.00 30.32 C ATOM 146 NZ LYS A 745 -12.274 -7.099 3.504 1.00 33.41 N1+ ATOM 0 H LYS A 745 -7.151 -7.967 6.942 1.00 14.24 H new ATOM 0 HA LYS A 745 -9.353 -9.554 7.984 1.00 54.21 H new ATOM 0 HB2 LYS A 745 -8.472 -9.692 5.132 1.00 23.40 H new ATOM 0 HB3 LYS A 745 -10.090 -9.599 5.798 1.00 23.40 H new ATOM 0 HG2 LYS A 745 -9.553 -7.167 6.417 1.00 1.33 H new ATOM 0 HG3 LYS A 745 -8.110 -7.331 5.437 1.00 1.33 H new ATOM 0 HD2 LYS A 745 -9.837 -6.366 4.052 1.00 32.54 H new ATOM 0 HD3 LYS A 745 -9.550 -8.000 3.488 1.00 32.54 H new ATOM 0 HE2 LYS A 745 -11.550 -8.827 4.490 1.00 30.32 H new ATOM 0 HE3 LYS A 745 -11.720 -7.422 5.522 1.00 30.32 H new ATOM 0 HZ1 LYS A 745 -13.268 -7.348 3.679 1.00 33.41 H new ATOM 0 HZ2 LYS A 745 -12.161 -6.067 3.558 1.00 33.41 H new ATOM 0 HZ3 LYS A 745 -11.996 -7.429 2.558 1.00 33.41 H new ATOM 160 N PHE A 746 -6.708 -10.943 6.551 1.00 33.03 N ATOM 161 CA PHE A 746 -5.948 -12.184 6.454 1.00 11.53 C ATOM 162 C PHE A 746 -5.463 -12.632 7.829 1.00 20.51 C ATOM 163 O PHE A 746 -5.314 -13.827 8.087 1.00 33.05 O ATOM 164 CB PHE A 746 -4.755 -12.002 5.513 1.00 31.42 C ATOM 165 CG PHE A 746 -5.111 -12.140 4.060 1.00 30.42 C ATOM 166 CD1 PHE A 746 -4.968 -13.356 3.411 1.00 60.11 C ATOM 167 CD2 PHE A 746 -5.588 -11.055 3.344 1.00 11.24 C ATOM 168 CE1 PHE A 746 -5.294 -13.486 2.074 1.00 73.30 C ATOM 169 CE2 PHE A 746 -5.917 -11.179 2.008 1.00 72.21 C ATOM 170 CZ PHE A 746 -5.769 -12.396 1.372 1.00 74.35 C ATOM 0 H PHE A 746 -6.302 -10.159 6.041 1.00 33.03 H new ATOM 0 HA PHE A 746 -6.605 -12.955 6.051 1.00 11.53 H new ATOM 0 HB2 PHE A 746 -4.318 -11.018 5.680 1.00 31.42 H new ATOM 0 HB3 PHE A 746 -3.990 -12.737 5.763 1.00 31.42 H new ATOM 0 HD1 PHE A 746 -4.598 -14.212 3.956 1.00 60.11 H new ATOM 0 HD2 PHE A 746 -5.704 -10.101 3.836 1.00 11.24 H new ATOM 0 HE1 PHE A 746 -5.177 -14.439 1.579 1.00 73.30 H new ATOM 0 HE2 PHE A 746 -6.290 -10.325 1.461 1.00 72.21 H new ATOM 0 HZ PHE A 746 -6.024 -12.495 0.327 1.00 74.35 H new ATOM 180 N TYR A 747 -5.216 -11.667 8.707 1.00 64.41 N ATOM 181 CA TYR A 747 -4.743 -11.962 10.054 1.00 13.43 C ATOM 182 C TYR A 747 -5.817 -12.686 10.861 1.00 1.44 C ATOM 183 O TYR A 747 -5.551 -13.199 11.948 1.00 12.42 O ATOM 184 CB TYR A 747 -4.336 -10.672 10.769 1.00 33.23 C ATOM 185 CG TYR A 747 -2.894 -10.283 10.541 1.00 41.10 C ATOM 186 CD1 TYR A 747 -2.314 -10.395 9.282 1.00 2.24 C ATOM 187 CD2 TYR A 747 -2.109 -9.805 11.583 1.00 4.31 C ATOM 188 CE1 TYR A 747 -0.995 -10.041 9.070 1.00 72.44 C ATOM 189 CE2 TYR A 747 -0.790 -9.448 11.378 1.00 40.50 C ATOM 190 CZ TYR A 747 -0.238 -9.568 10.120 1.00 11.40 C ATOM 191 OH TYR A 747 1.076 -9.215 9.912 1.00 11.22 O ATOM 0 H TYR A 747 -5.335 -10.673 8.510 1.00 64.41 H new ATOM 0 HA TYR A 747 -3.873 -12.614 9.972 1.00 13.43 H new ATOM 0 HB2 TYR A 747 -4.980 -9.860 10.431 1.00 33.23 H new ATOM 0 HB3 TYR A 747 -4.507 -10.790 11.839 1.00 33.23 H new ATOM 0 HD1 TYR A 747 -2.904 -10.765 8.456 1.00 2.24 H new ATOM 0 HD2 TYR A 747 -2.537 -9.711 12.570 1.00 4.31 H new ATOM 0 HE1 TYR A 747 -0.560 -10.135 8.086 1.00 72.44 H new ATOM 0 HE2 TYR A 747 -0.194 -9.077 12.199 1.00 40.50 H new ATOM 0 HH TYR A 747 1.118 -8.467 9.280 1.00 11.22 H new ATOM 201 N GLU A 748 -7.031 -12.723 10.321 1.00 62.51 N ATOM 202 CA GLU A 748 -8.145 -13.385 10.990 1.00 41.31 C ATOM 203 C GLU A 748 -8.189 -14.868 10.636 1.00 73.01 C ATOM 204 O GLU A 748 -8.695 -15.686 11.406 1.00 43.44 O ATOM 205 CB GLU A 748 -9.467 -12.718 10.606 1.00 40.41 C ATOM 206 CG GLU A 748 -9.406 -11.199 10.607 1.00 73.30 C ATOM 207 CD GLU A 748 -10.539 -10.570 11.396 1.00 60.52 C ATOM 208 OE1 GLU A 748 -10.723 -10.948 12.572 1.00 20.31 O ATOM 209 OE2 GLU A 748 -11.242 -9.702 10.837 1.00 24.04 O1- ATOM 0 H GLU A 748 -7.268 -12.303 9.422 1.00 62.51 H new ATOM 0 HA GLU A 748 -7.997 -13.291 12.066 1.00 41.31 H new ATOM 0 HB2 GLU A 748 -9.762 -13.061 9.614 1.00 40.41 H new ATOM 0 HB3 GLU A 748 -10.243 -13.042 11.300 1.00 40.41 H new ATOM 0 HG2 GLU A 748 -8.453 -10.878 11.028 1.00 73.30 H new ATOM 0 HG3 GLU A 748 -9.439 -10.837 9.579 1.00 73.30 H new ATOM 216 N ILE A 749 -7.658 -15.208 9.467 1.00 64.13 N ATOM 217 CA ILE A 749 -7.635 -16.592 9.012 1.00 62.02 C ATOM 218 C ILE A 749 -6.466 -17.355 9.626 1.00 53.43 C ATOM 219 O ILE A 749 -6.284 -18.545 9.368 1.00 61.13 O ATOM 220 CB ILE A 749 -7.540 -16.678 7.476 1.00 22.53 C ATOM 221 CG1 ILE A 749 -8.489 -15.669 6.827 1.00 52.20 C ATOM 222 CG2 ILE A 749 -7.856 -18.090 7.004 1.00 5.44 C ATOM 223 CD1 ILE A 749 -8.456 -15.694 5.315 1.00 21.14 C ATOM 0 H ILE A 749 -7.238 -14.543 8.817 1.00 64.13 H new ATOM 0 HA ILE A 749 -8.571 -17.046 9.337 1.00 62.02 H new ATOM 0 HB ILE A 749 -6.521 -16.435 7.176 1.00 22.53 H new ATOM 0 HG12 ILE A 749 -9.506 -15.871 7.163 1.00 52.20 H new ATOM 0 HG13 ILE A 749 -8.232 -14.667 7.171 1.00 52.20 H new ATOM 0 HG21 ILE A 749 -7.785 -18.135 5.917 1.00 5.44 H new ATOM 0 HG22 ILE A 749 -7.144 -18.788 7.443 1.00 5.44 H new ATOM 0 HG23 ILE A 749 -8.866 -18.359 7.313 1.00 5.44 H new ATOM 0 HD11 ILE A 749 -9.153 -14.953 4.924 1.00 21.14 H new ATOM 0 HD12 ILE A 749 -7.449 -15.462 4.969 1.00 21.14 H new ATOM 0 HD13 ILE A 749 -8.742 -16.684 4.961 1.00 21.14 H new ATOM 235 N ILE A 750 -5.677 -16.662 10.440 1.00 54.43 N ATOM 236 CA ILE A 750 -4.528 -17.274 11.094 1.00 33.33 C ATOM 237 C ILE A 750 -4.884 -17.754 12.497 1.00 74.14 C ATOM 238 O ILE A 750 -4.347 -18.752 12.978 1.00 32.04 O ATOM 239 CB ILE A 750 -3.343 -16.294 11.184 1.00 73.23 C ATOM 240 CG1 ILE A 750 -3.077 -15.655 9.819 1.00 3.32 C ATOM 241 CG2 ILE A 750 -2.100 -17.010 11.691 1.00 35.44 C ATOM 242 CD1 ILE A 750 -1.939 -14.657 9.832 1.00 74.12 C ATOM 0 H ILE A 750 -5.813 -15.676 10.662 1.00 54.43 H new ATOM 0 HA ILE A 750 -4.237 -18.129 10.484 1.00 33.33 H new ATOM 0 HB ILE A 750 -3.597 -15.504 11.891 1.00 73.23 H new ATOM 0 HG12 ILE A 750 -2.853 -16.440 9.096 1.00 3.32 H new ATOM 0 HG13 ILE A 750 -3.984 -15.156 9.477 1.00 3.32 H new ATOM 0 HG21 ILE A 750 -1.272 -16.304 11.749 1.00 35.44 H new ATOM 0 HG22 ILE A 750 -2.296 -17.422 12.681 1.00 35.44 H new ATOM 0 HG23 ILE A 750 -1.841 -17.818 11.007 1.00 35.44 H new ATOM 0 HD11 ILE A 750 -1.806 -14.244 8.832 1.00 74.12 H new ATOM 0 HD12 ILE A 750 -2.169 -13.852 10.530 1.00 74.12 H new ATOM 0 HD13 ILE A 750 -1.021 -15.156 10.143 1.00 74.12 H new ATOM 254 N LEU A 751 -5.795 -17.038 13.148 1.00 43.02 N ATOM 255 CA LEU A 751 -6.226 -17.392 14.496 1.00 44.24 C ATOM 256 C LEU A 751 -7.360 -18.411 14.455 1.00 23.01 C ATOM 257 O LEU A 751 -7.552 -19.177 15.399 1.00 73.21 O ATOM 258 CB LEU A 751 -6.675 -16.141 15.253 1.00 61.13 C ATOM 259 CG LEU A 751 -5.561 -15.285 15.856 1.00 43.22 C ATOM 260 CD1 LEU A 751 -5.334 -14.036 15.019 1.00 24.21 C ATOM 261 CD2 LEU A 751 -5.894 -14.912 17.294 1.00 3.30 C ATOM 0 H LEU A 751 -6.249 -16.209 12.764 1.00 43.02 H new ATOM 0 HA LEU A 751 -5.379 -17.840 15.016 1.00 44.24 H new ATOM 0 HB2 LEU A 751 -7.256 -15.518 14.573 1.00 61.13 H new ATOM 0 HB3 LEU A 751 -7.345 -16.448 16.056 1.00 61.13 H new ATOM 0 HG LEU A 751 -4.641 -15.869 15.856 1.00 43.22 H new ATOM 0 HD11 LEU A 751 -4.538 -13.440 15.464 1.00 24.21 H new ATOM 0 HD12 LEU A 751 -5.050 -14.323 14.007 1.00 24.21 H new ATOM 0 HD13 LEU A 751 -6.252 -13.449 14.986 1.00 24.21 H new ATOM 0 HD21 LEU A 751 -5.090 -14.303 17.707 1.00 3.30 H new ATOM 0 HD22 LEU A 751 -6.826 -14.347 17.317 1.00 3.30 H new ATOM 0 HD23 LEU A 751 -6.005 -15.819 17.889 1.00 3.30 H new ATOM 273 N ASP A 752 -8.106 -18.414 13.356 1.00 22.01 N ATOM 274 CA ASP A 752 -9.218 -19.342 13.190 1.00 13.24 C ATOM 275 C ASP A 752 -8.742 -20.664 12.597 1.00 44.44 C ATOM 276 O ASP A 752 -9.409 -21.690 12.726 1.00 22.24 O ATOM 277 CB ASP A 752 -10.295 -18.725 12.297 1.00 60.41 C ATOM 278 CG ASP A 752 -11.569 -18.410 13.056 1.00 72.00 C ATOM 279 OD1 ASP A 752 -11.565 -17.442 13.845 1.00 20.31 O ATOM 280 OD2 ASP A 752 -12.569 -19.132 12.861 1.00 11.31 O1- ATOM 0 H ASP A 752 -7.961 -17.784 12.567 1.00 22.01 H new ATOM 0 HA ASP A 752 -9.643 -19.540 14.174 1.00 13.24 H new ATOM 0 HB2 ASP A 752 -9.909 -17.811 11.847 1.00 60.41 H new ATOM 0 HB3 ASP A 752 -10.522 -19.411 11.481 1.00 60.41 H new ATOM 285 N ILE A 753 -7.585 -20.629 11.944 1.00 61.42 N ATOM 286 CA ILE A 753 -7.019 -21.824 11.330 1.00 52.10 C ATOM 287 C ILE A 753 -6.229 -22.643 12.345 1.00 54.20 C ATOM 288 O ILE A 753 -6.116 -23.862 12.221 1.00 13.53 O ATOM 289 CB ILE A 753 -6.099 -21.468 10.147 1.00 73.01 C ATOM 290 CG1 ILE A 753 -5.698 -22.733 9.385 1.00 53.42 C ATOM 291 CG2 ILE A 753 -4.865 -20.727 10.641 1.00 25.23 C ATOM 292 CD1 ILE A 753 -5.309 -22.472 7.947 1.00 24.53 C ATOM 0 H ILE A 753 -7.022 -19.787 11.827 1.00 61.42 H new ATOM 0 HA ILE A 753 -7.857 -22.416 10.963 1.00 52.10 H new ATOM 0 HB ILE A 753 -6.644 -20.814 9.466 1.00 73.01 H new ATOM 0 HG12 ILE A 753 -4.862 -23.208 9.899 1.00 53.42 H new ATOM 0 HG13 ILE A 753 -6.528 -23.439 9.406 1.00 53.42 H new ATOM 0 HG21 ILE A 753 -4.224 -20.482 9.794 1.00 25.23 H new ATOM 0 HG22 ILE A 753 -5.169 -19.809 11.144 1.00 25.23 H new ATOM 0 HG23 ILE A 753 -4.317 -21.359 11.340 1.00 25.23 H new ATOM 0 HD11 ILE A 753 -5.037 -23.412 7.467 1.00 24.53 H new ATOM 0 HD12 ILE A 753 -6.151 -22.025 7.418 1.00 24.53 H new ATOM 0 HD13 ILE A 753 -4.459 -21.790 7.918 1.00 24.53 H new ATOM 304 N GLU A 754 -5.686 -21.964 13.351 1.00 44.14 N ATOM 305 CA GLU A 754 -4.908 -22.629 14.388 1.00 4.35 C ATOM 306 C GLU A 754 -5.822 -23.319 15.396 1.00 71.51 C ATOM 307 O GLU A 754 -5.496 -24.388 15.914 1.00 53.33 O ATOM 308 CB GLU A 754 -4.007 -21.621 15.107 1.00 55.14 C ATOM 309 CG GLU A 754 -3.301 -22.196 16.323 1.00 12.45 C ATOM 310 CD GLU A 754 -1.798 -21.993 16.276 1.00 54.31 C ATOM 311 OE1 GLU A 754 -1.329 -20.930 16.734 1.00 2.20 O ATOM 312 OE2 GLU A 754 -1.093 -22.896 15.780 1.00 15.13 O1- ATOM 0 H GLU A 754 -5.771 -20.954 13.469 1.00 44.14 H new ATOM 0 HA GLU A 754 -4.286 -23.386 13.910 1.00 4.35 H new ATOM 0 HB2 GLU A 754 -3.260 -21.249 14.406 1.00 55.14 H new ATOM 0 HB3 GLU A 754 -4.608 -20.766 15.417 1.00 55.14 H new ATOM 0 HG2 GLU A 754 -3.699 -21.729 17.224 1.00 12.45 H new ATOM 0 HG3 GLU A 754 -3.518 -23.262 16.394 1.00 12.45 H new ATOM 319 N GLN A 755 -6.966 -22.700 15.669 1.00 24.12 N ATOM 320 CA GLN A 755 -7.927 -23.255 16.616 1.00 44.12 C ATOM 321 C GLN A 755 -8.305 -24.682 16.235 1.00 51.13 C ATOM 322 O GLN A 755 -8.611 -25.505 17.097 1.00 5.20 O ATOM 323 CB GLN A 755 -9.181 -22.380 16.673 1.00 22.25 C ATOM 324 CG GLN A 755 -9.009 -21.125 17.515 1.00 32.32 C ATOM 325 CD GLN A 755 -10.238 -20.238 17.496 1.00 44.21 C ATOM 326 OE1 GLN A 755 -10.433 -19.449 16.570 1.00 60.01 O ATOM 327 NE2 GLN A 755 -11.074 -20.361 18.519 1.00 12.34 N ATOM 0 H GLN A 755 -7.250 -21.815 15.249 1.00 24.12 H new ATOM 0 HA GLN A 755 -7.460 -23.274 17.601 1.00 44.12 H new ATOM 0 HB2 GLN A 755 -9.460 -22.092 15.659 1.00 22.25 H new ATOM 0 HB3 GLN A 755 -10.006 -22.968 17.076 1.00 22.25 H new ATOM 0 HG2 GLN A 755 -8.787 -21.409 18.543 1.00 32.32 H new ATOM 0 HG3 GLN A 755 -8.152 -20.560 17.148 1.00 32.32 H new ATOM 0 HE21 GLN A 755 -10.873 -21.028 19.265 1.00 12.34 H new ATOM 0 HE22 GLN A 755 -11.918 -19.789 18.560 1.00 12.34 H new ATOM 336 N ASN A 756 -8.283 -24.968 14.937 1.00 32.42 N ATOM 337 CA ASN A 756 -8.625 -26.296 14.441 1.00 61.22 C ATOM 338 C ASN A 756 -7.755 -27.363 15.099 1.00 52.04 C ATOM 339 O ASN A 756 -8.151 -28.523 15.206 1.00 74.24 O ATOM 340 CB ASN A 756 -8.461 -26.355 12.921 1.00 1.43 C ATOM 341 CG ASN A 756 -9.249 -27.490 12.297 1.00 4.14 C ATOM 342 OD1 ASN A 756 -10.002 -27.182 11.248 1.00 12.52 O flip ATOM 343 ND2 ASN A 756 -9.180 -28.632 12.753 1.00 45.41 N flip ATOM 0 H ASN A 756 -8.032 -24.298 14.210 1.00 32.42 H new ATOM 0 HA ASN A 756 -9.667 -26.493 14.695 1.00 61.22 H new ATOM 0 HB2 ASN A 756 -8.786 -25.409 12.487 1.00 1.43 H new ATOM 0 HB3 ASN A 756 -7.405 -26.472 12.677 1.00 1.43 H new ATOM 0 HD21 ASN A 756 -8.588 -28.824 13.561 1.00 45.41 H new ATOM 0 HD22 ASN A 756 -9.715 -29.386 12.322 1.00 45.41 H new ATOM 350 N ASN A 757 -6.567 -26.961 15.538 1.00 10.31 N ATOM 351 CA ASN A 757 -5.640 -27.882 16.186 1.00 65.52 C ATOM 352 C ASN A 757 -5.780 -27.818 17.703 1.00 34.22 C ATOM 353 O ASN A 757 -5.722 -28.840 18.387 1.00 74.44 O ATOM 354 CB ASN A 757 -4.200 -27.558 15.781 1.00 42.01 C ATOM 355 CG ASN A 757 -3.632 -28.569 14.803 1.00 33.14 C ATOM 356 OD1 ASN A 757 -3.901 -29.767 14.906 1.00 43.23 O ATOM 357 ND2 ASN A 757 -2.843 -28.090 13.849 1.00 32.44 N ATOM 0 H ASN A 757 -6.223 -26.004 15.457 1.00 10.31 H new ATOM 0 HA ASN A 757 -5.884 -28.893 15.859 1.00 65.52 H new ATOM 0 HB2 ASN A 757 -4.166 -26.565 15.333 1.00 42.01 H new ATOM 0 HB3 ASN A 757 -3.573 -27.527 16.672 1.00 42.01 H new ATOM 0 HD21 ASN A 757 -2.432 -28.722 13.162 1.00 32.44 H new ATOM 0 HD22 ASN A 757 -2.648 -27.090 13.803 1.00 32.44 H new ATOM 364 N VAL A 758 -5.964 -26.609 18.224 1.00 33.20 N ATOM 365 CA VAL A 758 -6.115 -26.411 19.661 1.00 51.15 C ATOM 366 C VAL A 758 -7.408 -27.036 20.170 1.00 71.52 C ATOM 367 O VAL A 758 -7.516 -27.394 21.343 1.00 53.35 O ATOM 368 CB VAL A 758 -6.105 -24.914 20.025 1.00 0.32 C ATOM 369 CG1 VAL A 758 -6.293 -24.727 21.523 1.00 23.24 C ATOM 370 CG2 VAL A 758 -4.813 -24.261 19.556 1.00 63.11 C ATOM 0 H VAL A 758 -6.012 -25.752 17.673 1.00 33.20 H new ATOM 0 HA VAL A 758 -5.266 -26.900 20.138 1.00 51.15 H new ATOM 0 HB VAL A 758 -6.937 -24.428 19.515 1.00 0.32 H new ATOM 0 HG11 VAL A 758 -6.283 -23.663 21.761 1.00 23.24 H new ATOM 0 HG12 VAL A 758 -7.247 -25.158 21.827 1.00 23.24 H new ATOM 0 HG13 VAL A 758 -5.484 -25.226 22.056 1.00 23.24 H new ATOM 0 HG21 VAL A 758 -4.823 -23.204 19.821 1.00 63.11 H new ATOM 0 HG22 VAL A 758 -3.964 -24.748 20.036 1.00 63.11 H new ATOM 0 HG23 VAL A 758 -4.726 -24.363 18.474 1.00 63.11 H new ATOM 380 N GLN A 759 -8.386 -27.168 19.279 1.00 12.33 N ATOM 381 CA GLN A 759 -9.673 -27.752 19.639 1.00 21.14 C ATOM 382 C GLN A 759 -9.714 -29.237 19.292 1.00 44.42 C ATOM 383 O GLN A 759 -10.777 -29.790 19.016 1.00 30.44 O ATOM 384 CB GLN A 759 -10.808 -27.017 18.922 1.00 34.15 C ATOM 385 CG GLN A 759 -10.777 -25.511 19.118 1.00 44.41 C ATOM 386 CD GLN A 759 -11.952 -25.001 19.927 1.00 73.21 C ATOM 387 OE1 GLN A 759 -12.772 -24.226 19.433 1.00 21.11 O ATOM 388 NE2 GLN A 759 -12.043 -25.436 21.179 1.00 11.42 N ATOM 0 H GLN A 759 -8.312 -26.879 18.304 1.00 12.33 H new ATOM 0 HA GLN A 759 -9.803 -27.646 20.716 1.00 21.14 H new ATOM 0 HB2 GLN A 759 -10.756 -27.237 17.856 1.00 34.15 H new ATOM 0 HB3 GLN A 759 -11.763 -27.402 19.281 1.00 34.15 H new ATOM 0 HG2 GLN A 759 -9.849 -25.233 19.618 1.00 44.41 H new ATOM 0 HG3 GLN A 759 -10.773 -25.022 18.144 1.00 44.41 H new ATOM 0 HE21 GLN A 759 -11.341 -26.078 21.548 1.00 11.42 H new ATOM 0 HE22 GLN A 759 -12.814 -25.128 21.771 1.00 11.42 H new ATOM 397 N GLY A 760 -8.547 -29.875 19.308 1.00 40.53 N ATOM 398 CA GLY A 760 -8.472 -31.289 18.993 1.00 72.51 C ATOM 399 C GLY A 760 -7.344 -31.987 19.727 1.00 31.13 C ATOM 400 O GLY A 760 -6.904 -33.065 19.325 1.00 45.03 O ATOM 0 H GLY A 760 -7.653 -29.438 19.533 1.00 40.53 H new ATOM 0 HA2 GLY A 760 -9.418 -31.766 19.249 1.00 72.51 H new ATOM 0 HA3 GLY A 760 -8.334 -31.412 17.919 1.00 72.51 H new ATOM 404 N LYS A 761 -6.873 -31.373 20.806 1.00 35.23 N ATOM 405 CA LYS A 761 -5.790 -31.940 21.600 1.00 64.41 C ATOM 406 C LYS A 761 -6.264 -33.169 22.370 1.00 64.15 C ATOM 407 O LYS A 761 -5.516 -34.131 22.547 1.00 14.14 O ATOM 408 CB LYS A 761 -5.240 -30.896 22.574 1.00 54.53 C ATOM 409 CG LYS A 761 -4.747 -29.631 21.894 1.00 43.53 C ATOM 410 CD LYS A 761 -4.951 -28.409 22.773 1.00 51.12 C ATOM 411 CE LYS A 761 -4.115 -28.488 24.041 1.00 24.31 C ATOM 412 NZ LYS A 761 -2.659 -28.365 23.754 1.00 24.11 N1+ ATOM 0 H LYS A 761 -7.225 -30.480 21.152 1.00 35.23 H new ATOM 0 HA LYS A 761 -4.996 -32.244 20.918 1.00 64.41 H new ATOM 0 HB2 LYS A 761 -6.019 -30.634 23.290 1.00 54.53 H new ATOM 0 HB3 LYS A 761 -4.420 -31.337 23.141 1.00 54.53 H new ATOM 0 HG2 LYS A 761 -3.689 -29.735 21.654 1.00 43.53 H new ATOM 0 HG3 LYS A 761 -5.276 -29.494 20.951 1.00 43.53 H new ATOM 0 HD2 LYS A 761 -4.685 -27.511 22.216 1.00 51.12 H new ATOM 0 HD3 LYS A 761 -6.005 -28.321 23.036 1.00 51.12 H new ATOM 0 HE2 LYS A 761 -4.418 -27.696 24.726 1.00 24.31 H new ATOM 0 HE3 LYS A 761 -4.307 -29.436 24.544 1.00 24.31 H new ATOM 0 HZ1 LYS A 761 -2.137 -28.253 24.647 1.00 24.11 H new ATOM 0 HZ2 LYS A 761 -2.328 -29.221 23.264 1.00 24.11 H new ATOM 0 HZ3 LYS A 761 -2.493 -27.535 23.150 1.00 24.11 H new ATOM 426 N THR A 762 -7.513 -33.131 22.824 1.00 71.21 N ATOM 427 CA THR A 762 -8.087 -34.240 23.574 1.00 74.24 C ATOM 428 C THR A 762 -8.914 -35.146 22.669 1.00 73.23 C ATOM 429 O THR A 762 -9.861 -35.791 23.118 1.00 20.44 O ATOM 430 CB THR A 762 -8.974 -33.738 24.729 1.00 31.51 C ATOM 431 OG1 THR A 762 -8.381 -32.587 25.338 1.00 45.40 O ATOM 432 CG2 THR A 762 -9.171 -34.826 25.773 1.00 21.43 C ATOM 0 H THR A 762 -8.146 -32.343 22.685 1.00 71.21 H new ATOM 0 HA THR A 762 -7.253 -34.808 23.987 1.00 74.24 H new ATOM 0 HB THR A 762 -9.948 -33.470 24.319 1.00 31.51 H new ATOM 0 HG1 THR A 762 -8.952 -32.273 26.070 1.00 45.40 H new ATOM 0 HG21 THR A 762 -9.801 -34.448 26.578 1.00 21.43 H new ATOM 0 HG22 THR A 762 -9.651 -35.690 25.312 1.00 21.43 H new ATOM 0 HG23 THR A 762 -8.203 -35.122 26.178 1.00 21.43 H new ATOM 440 N GLY A 763 -8.551 -35.190 21.391 1.00 41.44 N ATOM 441 CA GLY A 763 -9.271 -36.021 20.443 1.00 42.15 C ATOM 442 C GLY A 763 -10.699 -35.557 20.234 1.00 63.33 C ATOM 443 O GLY A 763 -11.566 -36.347 19.857 1.00 21.53 O ATOM 0 H GLY A 763 -7.771 -34.665 20.995 1.00 41.44 H new ATOM 0 HA2 GLY A 763 -8.747 -36.015 19.487 1.00 42.15 H new ATOM 0 HA3 GLY A 763 -9.275 -37.052 20.798 1.00 42.15 H new ATOM 447 N ILE A 764 -10.946 -34.275 20.479 1.00 22.21 N ATOM 448 CA ILE A 764 -12.279 -33.709 20.316 1.00 51.32 C ATOM 449 C ILE A 764 -12.335 -32.775 19.112 1.00 72.33 C ATOM 450 O ILE A 764 -12.845 -31.659 19.204 1.00 42.22 O ATOM 451 CB ILE A 764 -12.720 -32.936 21.573 1.00 54.35 C ATOM 452 CG1 ILE A 764 -11.698 -31.850 21.915 1.00 50.41 C ATOM 453 CG2 ILE A 764 -12.901 -33.889 22.744 1.00 62.11 C ATOM 454 CD1 ILE A 764 -12.066 -31.038 23.137 1.00 22.51 C ATOM 0 H ILE A 764 -10.240 -33.608 20.791 1.00 22.21 H new ATOM 0 HA ILE A 764 -12.960 -34.545 20.157 1.00 51.32 H new ATOM 0 HB ILE A 764 -13.677 -32.456 21.370 1.00 54.35 H new ATOM 0 HG12 ILE A 764 -10.726 -32.315 22.077 1.00 50.41 H new ATOM 0 HG13 ILE A 764 -11.592 -31.180 21.062 1.00 50.41 H new ATOM 0 HG21 ILE A 764 -13.213 -33.328 23.625 1.00 62.11 H new ATOM 0 HG22 ILE A 764 -13.662 -34.629 22.497 1.00 62.11 H new ATOM 0 HG23 ILE A 764 -11.958 -34.395 22.951 1.00 62.11 H new ATOM 0 HD11 ILE A 764 -11.297 -30.287 23.320 1.00 22.51 H new ATOM 0 HD12 ILE A 764 -13.023 -30.544 22.971 1.00 22.51 H new ATOM 0 HD13 ILE A 764 -12.143 -31.697 24.002 1.00 22.51 H new ATOM 466 N GLN A 765 -11.810 -33.240 17.983 1.00 63.11 N ATOM 467 CA GLN A 765 -11.802 -32.446 16.760 1.00 34.33 C ATOM 468 C GLN A 765 -13.215 -32.007 16.387 1.00 20.13 C ATOM 469 O GLN A 765 -13.401 -31.001 15.704 1.00 72.51 O ATOM 470 CB GLN A 765 -11.184 -33.245 15.612 1.00 1.12 C ATOM 471 CG GLN A 765 -9.666 -33.181 15.575 1.00 22.02 C ATOM 472 CD GLN A 765 -9.146 -32.260 14.489 1.00 1.40 C ATOM 473 OE1 GLN A 765 -8.363 -31.348 14.756 1.00 64.24 O ATOM 474 NE2 GLN A 765 -9.582 -32.491 13.257 1.00 24.51 N ATOM 0 H GLN A 765 -11.385 -34.162 17.890 1.00 63.11 H new ATOM 0 HA GLN A 765 -11.199 -31.555 16.939 1.00 34.33 H new ATOM 0 HB2 GLN A 765 -11.494 -34.287 15.697 1.00 1.12 H new ATOM 0 HB3 GLN A 765 -11.578 -32.872 14.667 1.00 1.12 H new ATOM 0 HG2 GLN A 765 -9.297 -32.840 16.542 1.00 22.02 H new ATOM 0 HG3 GLN A 765 -9.268 -34.183 15.417 1.00 22.02 H new ATOM 0 HE21 GLN A 765 -10.231 -33.258 13.081 1.00 24.51 H new ATOM 0 HE22 GLN A 765 -9.268 -31.901 12.486 1.00 24.51 H new ATOM 483 N GLN A 766 -14.205 -32.770 16.840 1.00 10.35 N ATOM 484 CA GLN A 766 -15.600 -32.459 16.552 1.00 54.20 C ATOM 485 C GLN A 766 -15.971 -31.078 17.083 1.00 74.44 C ATOM 486 O GLN A 766 -16.941 -30.468 16.631 1.00 64.24 O ATOM 487 CB GLN A 766 -16.517 -33.517 17.167 1.00 74.42 C ATOM 488 CG GLN A 766 -17.982 -33.339 16.802 1.00 40.31 C ATOM 489 CD GLN A 766 -18.787 -32.699 17.917 1.00 31.43 C ATOM 490 OE1 GLN A 766 -18.521 -32.924 19.098 1.00 65.44 O ATOM 491 NE2 GLN A 766 -19.779 -31.898 17.547 1.00 51.24 N ATOM 0 H GLN A 766 -14.067 -33.607 17.407 1.00 10.35 H new ATOM 0 HA GLN A 766 -15.730 -32.459 15.470 1.00 54.20 H new ATOM 0 HB2 GLN A 766 -16.188 -34.504 16.843 1.00 74.42 H new ATOM 0 HB3 GLN A 766 -16.415 -33.488 18.252 1.00 74.42 H new ATOM 0 HG2 GLN A 766 -18.057 -32.724 15.905 1.00 40.31 H new ATOM 0 HG3 GLN A 766 -18.413 -34.310 16.559 1.00 40.31 H new ATOM 0 HE21 GLN A 766 -19.964 -31.740 16.557 1.00 51.24 H new ATOM 0 HE22 GLN A 766 -20.356 -31.441 18.253 1.00 51.24 H new ATOM 500 N LEU A 767 -15.194 -30.590 18.044 1.00 74.44 N ATOM 501 CA LEU A 767 -15.441 -29.280 18.636 1.00 22.21 C ATOM 502 C LEU A 767 -15.627 -28.220 17.556 1.00 74.01 C ATOM 503 O LEU A 767 -16.589 -27.454 17.585 1.00 74.03 O ATOM 504 CB LEU A 767 -14.285 -28.889 19.557 1.00 25.33 C ATOM 505 CG LEU A 767 -14.623 -27.910 20.681 1.00 22.01 C ATOM 506 CD1 LEU A 767 -15.059 -26.570 20.109 1.00 70.13 C ATOM 507 CD2 LEU A 767 -15.706 -28.485 21.582 1.00 60.24 C ATOM 0 H LEU A 767 -14.388 -31.082 18.430 1.00 74.44 H new ATOM 0 HA LEU A 767 -16.359 -29.340 19.221 1.00 22.21 H new ATOM 0 HB2 LEU A 767 -13.880 -29.797 20.003 1.00 25.33 H new ATOM 0 HB3 LEU A 767 -13.494 -28.452 18.948 1.00 25.33 H new ATOM 0 HG LEU A 767 -13.726 -27.752 21.280 1.00 22.01 H new ATOM 0 HD11 LEU A 767 -15.296 -25.886 20.924 1.00 70.13 H new ATOM 0 HD12 LEU A 767 -14.252 -26.152 19.507 1.00 70.13 H new ATOM 0 HD13 LEU A 767 -15.942 -26.710 19.486 1.00 70.13 H new ATOM 0 HD21 LEU A 767 -15.934 -27.774 22.376 1.00 60.24 H new ATOM 0 HD22 LEU A 767 -16.605 -28.674 20.995 1.00 60.24 H new ATOM 0 HD23 LEU A 767 -15.356 -29.420 22.021 1.00 60.24 H new ATOM 519 N GLN A 768 -14.701 -28.185 16.603 1.00 1.34 N ATOM 520 CA GLN A 768 -14.765 -27.219 15.512 1.00 34.24 C ATOM 521 C GLN A 768 -15.513 -27.798 14.315 1.00 3.03 C ATOM 522 O GLN A 768 -15.867 -27.077 13.382 1.00 24.34 O ATOM 523 CB GLN A 768 -13.356 -26.798 15.093 1.00 5.11 C ATOM 524 CG GLN A 768 -12.585 -27.890 14.368 1.00 21.42 C ATOM 525 CD GLN A 768 -12.745 -27.817 12.862 1.00 51.41 C ATOM 526 OE1 GLN A 768 -13.023 -26.753 12.307 1.00 14.25 O ATOM 527 NE2 GLN A 768 -12.570 -28.949 12.192 1.00 14.14 N ATOM 0 H GLN A 768 -13.899 -28.813 16.564 1.00 1.34 H new ATOM 0 HA GLN A 768 -15.308 -26.343 15.867 1.00 34.24 H new ATOM 0 HB2 GLN A 768 -13.424 -25.923 14.447 1.00 5.11 H new ATOM 0 HB3 GLN A 768 -12.797 -26.497 15.979 1.00 5.11 H new ATOM 0 HG2 GLN A 768 -11.528 -27.812 14.621 1.00 21.42 H new ATOM 0 HG3 GLN A 768 -12.926 -28.864 14.719 1.00 21.42 H new ATOM 0 HE21 GLN A 768 -12.341 -29.808 12.693 1.00 14.14 H new ATOM 0 HE22 GLN A 768 -12.665 -28.960 11.176 1.00 14.14 H new ATOM 536 N LYS A 769 -15.750 -29.105 14.348 1.00 12.24 N ATOM 537 CA LYS A 769 -16.456 -29.783 13.268 1.00 43.33 C ATOM 538 C LYS A 769 -17.965 -29.700 13.468 1.00 55.23 C ATOM 539 O LYS A 769 -18.739 -30.011 12.563 1.00 53.35 O ATOM 540 CB LYS A 769 -16.022 -31.248 13.186 1.00 13.44 C ATOM 541 CG LYS A 769 -15.984 -31.793 11.770 1.00 71.15 C ATOM 542 CD LYS A 769 -14.841 -31.190 10.970 1.00 31.01 C ATOM 543 CE LYS A 769 -15.233 -30.964 9.518 1.00 34.40 C ATOM 544 NZ LYS A 769 -14.804 -32.092 8.645 1.00 2.40 N1+ ATOM 0 H LYS A 769 -15.463 -29.716 15.112 1.00 12.24 H new ATOM 0 HA LYS A 769 -16.203 -29.283 12.333 1.00 43.33 H new ATOM 0 HB2 LYS A 769 -15.033 -31.351 13.632 1.00 13.44 H new ATOM 0 HB3 LYS A 769 -16.705 -31.854 13.781 1.00 13.44 H new ATOM 0 HG2 LYS A 769 -15.876 -32.877 11.799 1.00 71.15 H new ATOM 0 HG3 LYS A 769 -16.930 -31.580 11.272 1.00 71.15 H new ATOM 0 HD2 LYS A 769 -14.542 -30.243 11.419 1.00 31.01 H new ATOM 0 HD3 LYS A 769 -13.976 -31.851 11.015 1.00 31.01 H new ATOM 0 HE2 LYS A 769 -16.314 -30.842 9.449 1.00 34.40 H new ATOM 0 HE3 LYS A 769 -14.784 -30.037 9.161 1.00 34.40 H new ATOM 0 HZ1 LYS A 769 -15.090 -31.900 7.664 1.00 2.40 H new ATOM 0 HZ2 LYS A 769 -13.770 -32.193 8.691 1.00 2.40 H new ATOM 0 HZ3 LYS A 769 -15.252 -32.972 8.970 1.00 2.40 H new ATOM 558 N TRP A 770 -18.377 -29.277 14.658 1.00 50.24 N ATOM 559 CA TRP A 770 -19.795 -29.151 14.976 1.00 20.14 C ATOM 560 C TRP A 770 -20.555 -28.497 13.827 1.00 71.04 C ATOM 561 O TRP A 770 -20.905 -29.156 12.849 1.00 21.20 O ATOM 562 CB TRP A 770 -19.981 -28.335 16.256 1.00 33.20 C ATOM 563 CG TRP A 770 -19.131 -27.102 16.304 1.00 62.01 C ATOM 564 CD1 TRP A 770 -18.295 -26.645 15.327 1.00 45.05 C ATOM 565 CD2 TRP A 770 -19.034 -26.170 17.387 1.00 45.04 C ATOM 566 NE1 TRP A 770 -17.683 -25.485 15.735 1.00 54.02 N ATOM 567 CE2 TRP A 770 -18.120 -25.171 16.995 1.00 63.21 C ATOM 568 CE3 TRP A 770 -19.630 -26.080 18.647 1.00 50.22 C ATOM 569 CZ2 TRP A 770 -17.790 -24.100 17.820 1.00 4.42 C ATOM 570 CZ3 TRP A 770 -19.301 -25.016 19.465 1.00 73.42 C ATOM 571 CH2 TRP A 770 -18.389 -24.037 19.050 1.00 63.21 C ATOM 0 H TRP A 770 -17.749 -29.016 15.418 1.00 50.24 H new ATOM 0 HA TRP A 770 -20.197 -30.152 15.130 1.00 20.14 H new ATOM 0 HB2 TRP A 770 -21.029 -28.049 16.347 1.00 33.20 H new ATOM 0 HB3 TRP A 770 -19.747 -28.963 17.116 1.00 33.20 H new ATOM 0 HD1 TRP A 770 -18.138 -27.125 14.373 1.00 45.05 H new ATOM 0 HE1 TRP A 770 -17.012 -24.945 15.189 1.00 54.02 H new ATOM 0 HE3 TRP A 770 -20.335 -26.829 18.976 1.00 50.22 H new ATOM 0 HZ2 TRP A 770 -17.086 -23.345 17.502 1.00 4.42 H new ATOM 0 HZ3 TRP A 770 -19.755 -24.938 20.442 1.00 73.42 H new ATOM 0 HH2 TRP A 770 -18.154 -23.217 19.712 1.00 63.21 H new ATOM 582 N GLU A 771 -20.807 -27.198 13.952 1.00 2.15 N ATOM 583 CA GLU A 771 -21.526 -26.456 12.923 1.00 23.43 C ATOM 584 C GLU A 771 -20.844 -26.608 11.567 1.00 23.43 C ATOM 585 O GLU A 771 -21.425 -26.291 10.529 1.00 35.13 O ATOM 586 CB GLU A 771 -21.616 -24.976 13.299 1.00 12.01 C ATOM 587 CG GLU A 771 -23.007 -24.541 13.729 1.00 43.43 C ATOM 588 CD GLU A 771 -23.008 -23.830 15.068 1.00 5.31 C ATOM 589 OE1 GLU A 771 -21.998 -23.168 15.388 1.00 34.21 O ATOM 590 OE2 GLU A 771 -24.017 -23.935 15.795 1.00 73.50 O1- ATOM 0 H GLU A 771 -20.524 -26.638 14.756 1.00 2.15 H new ATOM 0 HA GLU A 771 -22.533 -26.866 12.852 1.00 23.43 H new ATOM 0 HB2 GLU A 771 -20.914 -24.772 14.108 1.00 12.01 H new ATOM 0 HB3 GLU A 771 -21.303 -24.373 12.446 1.00 12.01 H new ATOM 0 HG2 GLU A 771 -23.428 -23.880 12.971 1.00 43.43 H new ATOM 0 HG3 GLU A 771 -23.656 -25.415 13.786 1.00 43.43 H new ATOM 597 N ASP A 772 -19.608 -27.095 11.584 1.00 43.03 N ATOM 598 CA ASP A 772 -18.845 -27.289 10.357 1.00 73.24 C ATOM 599 C ASP A 772 -19.667 -28.052 9.322 1.00 24.50 C ATOM 600 O ASP A 772 -19.524 -27.834 8.119 1.00 72.21 O ATOM 601 CB ASP A 772 -17.547 -28.042 10.651 1.00 2.11 C ATOM 602 CG ASP A 772 -16.490 -27.809 9.589 1.00 33.51 C ATOM 603 OD1 ASP A 772 -16.841 -27.813 8.390 1.00 2.23 O ATOM 604 OD2 ASP A 772 -15.311 -27.624 9.957 1.00 63.03 O1- ATOM 0 H ASP A 772 -19.113 -27.363 12.435 1.00 43.03 H new ATOM 0 HA ASP A 772 -18.602 -26.307 9.951 1.00 73.24 H new ATOM 0 HB2 ASP A 772 -17.160 -27.728 11.620 1.00 2.11 H new ATOM 0 HB3 ASP A 772 -17.757 -29.109 10.722 1.00 2.11 H new ATOM 609 N TRP A 773 -20.524 -28.946 9.798 1.00 33.43 N ATOM 610 CA TRP A 773 -21.368 -29.743 8.914 1.00 31.44 C ATOM 611 C TRP A 773 -22.126 -28.852 7.937 1.00 75.13 C ATOM 612 O TRP A 773 -22.380 -29.240 6.797 1.00 73.42 O ATOM 613 CB TRP A 773 -22.354 -30.578 9.733 1.00 74.52 C ATOM 614 CG TRP A 773 -21.689 -31.457 10.749 1.00 42.13 C ATOM 615 CD1 TRP A 773 -20.524 -32.152 10.593 1.00 22.52 C ATOM 616 CD2 TRP A 773 -22.151 -31.736 12.074 1.00 33.20 C ATOM 617 NE1 TRP A 773 -20.234 -32.847 11.742 1.00 11.51 N ATOM 618 CE2 TRP A 773 -21.216 -32.607 12.666 1.00 3.54 C ATOM 619 CE3 TRP A 773 -23.262 -31.333 12.820 1.00 43.44 C ATOM 620 CZ2 TRP A 773 -21.361 -33.081 13.968 1.00 4.31 C ATOM 621 CZ3 TRP A 773 -23.405 -31.804 14.111 1.00 4.24 C ATOM 622 CH2 TRP A 773 -22.458 -32.671 14.675 1.00 53.22 C ATOM 0 H TRP A 773 -20.654 -29.138 10.791 1.00 33.43 H new ATOM 0 HA TRP A 773 -20.724 -30.411 8.342 1.00 31.44 H new ATOM 0 HB2 TRP A 773 -23.050 -29.910 10.241 1.00 74.52 H new ATOM 0 HB3 TRP A 773 -22.943 -31.198 9.057 1.00 74.52 H new ATOM 0 HD1 TRP A 773 -19.920 -32.155 9.698 1.00 22.52 H new ATOM 0 HE1 TRP A 773 -19.420 -33.445 11.884 1.00 11.51 H new ATOM 0 HE3 TRP A 773 -23.996 -30.665 12.395 1.00 43.44 H new ATOM 0 HZ2 TRP A 773 -20.633 -33.749 14.404 1.00 4.31 H new ATOM 0 HZ3 TRP A 773 -24.260 -31.499 14.696 1.00 4.24 H new ATOM 0 HH2 TRP A 773 -22.597 -33.022 15.687 1.00 53.22 H new ATOM 633 N VAL A 774 -22.485 -27.655 8.390 1.00 13.23 N ATOM 634 CA VAL A 774 -23.214 -26.709 7.554 1.00 13.22 C ATOM 635 C VAL A 774 -22.503 -26.491 6.223 1.00 52.52 C ATOM 636 O VAL A 774 -23.136 -26.190 5.212 1.00 71.03 O ATOM 637 CB VAL A 774 -23.384 -25.351 8.261 1.00 30.11 C ATOM 638 CG1 VAL A 774 -24.115 -24.367 7.361 1.00 50.24 C ATOM 639 CG2 VAL A 774 -24.120 -25.527 9.581 1.00 44.30 C ATOM 0 H VAL A 774 -22.283 -27.318 9.331 1.00 13.23 H new ATOM 0 HA VAL A 774 -24.198 -27.141 7.371 1.00 13.22 H new ATOM 0 HB VAL A 774 -22.395 -24.945 8.473 1.00 30.11 H new ATOM 0 HG11 VAL A 774 -24.225 -23.414 7.878 1.00 50.24 H new ATOM 0 HG12 VAL A 774 -23.544 -24.219 6.445 1.00 50.24 H new ATOM 0 HG13 VAL A 774 -25.100 -24.762 7.114 1.00 50.24 H new ATOM 0 HG21 VAL A 774 -24.232 -24.558 10.067 1.00 44.30 H new ATOM 0 HG22 VAL A 774 -25.105 -25.955 9.394 1.00 44.30 H new ATOM 0 HG23 VAL A 774 -23.551 -26.195 10.228 1.00 44.30 H new ATOM 649 N ARG A 775 -21.183 -26.645 6.232 1.00 43.51 N ATOM 650 CA ARG A 775 -20.385 -26.464 5.025 1.00 65.12 C ATOM 651 C ARG A 775 -20.954 -27.282 3.869 1.00 12.45 C ATOM 652 O ARG A 775 -20.837 -26.896 2.707 1.00 62.44 O ATOM 653 CB ARG A 775 -18.932 -26.868 5.283 1.00 55.14 C ATOM 654 CG ARG A 775 -17.934 -26.161 4.381 1.00 74.45 C ATOM 655 CD ARG A 775 -17.255 -25.006 5.099 1.00 53.43 C ATOM 656 NE ARG A 775 -16.151 -24.449 4.321 1.00 74.44 N ATOM 657 CZ ARG A 775 -16.317 -23.590 3.320 1.00 33.50 C ATOM 658 NH1 ARG A 775 -17.535 -23.192 2.979 1.00 21.33 N ATOM 659 NH2 ARG A 775 -15.263 -23.129 2.659 1.00 34.21 N1+ ATOM 0 H ARG A 775 -20.644 -26.895 7.061 1.00 43.51 H new ATOM 0 HA ARG A 775 -20.419 -25.409 4.752 1.00 65.12 H new ATOM 0 HB2 ARG A 775 -18.684 -26.655 6.323 1.00 55.14 H new ATOM 0 HB3 ARG A 775 -18.833 -27.945 5.146 1.00 55.14 H new ATOM 0 HG2 ARG A 775 -17.181 -26.873 4.041 1.00 74.45 H new ATOM 0 HG3 ARG A 775 -18.445 -25.789 3.493 1.00 74.45 H new ATOM 0 HD2 ARG A 775 -17.987 -24.224 5.300 1.00 53.43 H new ATOM 0 HD3 ARG A 775 -16.881 -25.349 6.064 1.00 53.43 H new ATOM 0 HE ARG A 775 -15.201 -24.735 4.559 1.00 74.44 H new ATOM 0 HH11 ARG A 775 -18.347 -23.545 3.485 1.00 21.33 H new ATOM 0 HH12 ARG A 775 -17.660 -22.533 2.211 1.00 21.33 H new ATOM 0 HH21 ARG A 775 -14.325 -23.434 2.919 1.00 34.21 H new ATOM 0 HH22 ARG A 775 -15.391 -22.470 1.891 1.00 34.21 H new ATOM 673 N TRP A 776 -21.568 -28.411 4.198 1.00 34.53 N ATOM 674 CA TRP A 776 -22.155 -29.285 3.187 1.00 11.22 C ATOM 675 C TRP A 776 -23.186 -28.534 2.351 1.00 20.04 C ATOM 676 O TRP A 776 -23.223 -28.669 1.128 1.00 73.21 O ATOM 677 CB TRP A 776 -22.806 -30.501 3.849 1.00 31.03 C ATOM 678 CG TRP A 776 -24.045 -30.967 3.147 1.00 21.41 C ATOM 679 CD1 TRP A 776 -24.135 -31.429 1.865 1.00 15.25 C ATOM 680 CD2 TRP A 776 -25.369 -31.016 3.688 1.00 54.51 C ATOM 681 NE1 TRP A 776 -25.438 -31.762 1.577 1.00 2.40 N ATOM 682 CE2 TRP A 776 -26.213 -31.517 2.679 1.00 74.55 C ATOM 683 CE3 TRP A 776 -25.925 -30.685 4.928 1.00 4.10 C ATOM 684 CZ2 TRP A 776 -27.581 -31.696 2.872 1.00 42.44 C ATOM 685 CZ3 TRP A 776 -27.282 -30.862 5.117 1.00 3.34 C ATOM 686 CH2 TRP A 776 -28.098 -31.363 4.096 1.00 64.44 C ATOM 0 H TRP A 776 -21.673 -28.744 5.156 1.00 34.53 H new ATOM 0 HA TRP A 776 -21.356 -29.624 2.528 1.00 11.22 H new ATOM 0 HB2 TRP A 776 -22.085 -31.318 3.880 1.00 31.03 H new ATOM 0 HB3 TRP A 776 -23.053 -30.255 4.882 1.00 31.03 H new ATOM 0 HD1 TRP A 776 -23.306 -31.519 1.179 1.00 15.25 H new ATOM 0 HE1 TRP A 776 -25.773 -32.131 0.687 1.00 2.40 H new ATOM 0 HE3 TRP A 776 -25.305 -30.298 5.723 1.00 4.10 H new ATOM 0 HZ2 TRP A 776 -28.211 -32.083 2.085 1.00 42.44 H new ATOM 0 HZ3 TRP A 776 -27.722 -30.609 6.071 1.00 3.34 H new ATOM 0 HH2 TRP A 776 -29.155 -31.489 4.277 1.00 64.44 H new ATOM 697 N ILE A 777 -24.019 -27.743 3.018 1.00 34.43 N ATOM 698 CA ILE A 777 -25.050 -26.970 2.335 1.00 5.02 C ATOM 699 C ILE A 777 -24.895 -25.479 2.616 1.00 72.11 C ATOM 700 O ILE A 777 -25.878 -24.742 2.668 1.00 13.21 O ATOM 701 CB ILE A 777 -26.461 -27.417 2.757 1.00 53.23 C ATOM 702 CG1 ILE A 777 -27.509 -26.846 1.799 1.00 64.34 C ATOM 703 CG2 ILE A 777 -26.750 -26.981 4.186 1.00 50.33 C ATOM 704 CD1 ILE A 777 -28.273 -27.907 1.037 1.00 41.23 C ATOM 0 H ILE A 777 -24.001 -27.620 4.030 1.00 34.43 H new ATOM 0 HA ILE A 777 -24.925 -27.151 1.267 1.00 5.02 H new ATOM 0 HB ILE A 777 -26.509 -28.505 2.712 1.00 53.23 H new ATOM 0 HG12 ILE A 777 -28.214 -26.238 2.365 1.00 64.34 H new ATOM 0 HG13 ILE A 777 -27.016 -26.183 1.088 1.00 64.34 H new ATOM 0 HG21 ILE A 777 -27.752 -27.304 4.470 1.00 50.33 H new ATOM 0 HG22 ILE A 777 -26.019 -27.431 4.858 1.00 50.33 H new ATOM 0 HG23 ILE A 777 -26.686 -25.895 4.255 1.00 50.33 H new ATOM 0 HD11 ILE A 777 -28.998 -27.430 0.378 1.00 41.23 H new ATOM 0 HD12 ILE A 777 -27.578 -28.500 0.443 1.00 41.23 H new ATOM 0 HD13 ILE A 777 -28.794 -28.556 1.741 1.00 41.23 H new ATOM 716 N GLY A 778 -23.652 -25.042 2.795 1.00 22.05 N ATOM 717 CA GLY A 778 -23.391 -23.640 3.068 1.00 62.24 C ATOM 718 C GLY A 778 -23.185 -22.833 1.801 1.00 43.43 C ATOM 719 O GLY A 778 -22.247 -22.042 1.708 1.00 51.04 O ATOM 0 H GLY A 778 -22.822 -25.633 2.756 1.00 22.05 H new ATOM 0 HA2 GLY A 778 -24.225 -23.221 3.631 1.00 62.24 H new ATOM 0 HA3 GLY A 778 -22.506 -23.554 3.698 1.00 62.24 H new ATOM 723 N ASN A 779 -24.063 -23.033 0.823 1.00 2.34 N ATOM 724 CA ASN A 779 -23.972 -22.319 -0.444 1.00 61.11 C ATOM 725 C ASN A 779 -25.338 -21.793 -0.872 1.00 11.30 C ATOM 726 O ASN A 779 -25.448 -21.025 -1.829 1.00 1.42 O ATOM 727 CB ASN A 779 -23.403 -23.235 -1.529 1.00 44.53 C ATOM 728 CG ASN A 779 -24.444 -24.186 -2.087 1.00 71.24 C ATOM 729 OD1 ASN A 779 -25.325 -23.783 -2.847 1.00 54.44 O ATOM 730 ND2 ASN A 779 -24.347 -25.456 -1.711 1.00 51.12 N ATOM 0 H ASN A 779 -24.846 -23.684 0.885 1.00 2.34 H new ATOM 0 HA ASN A 779 -23.303 -21.470 -0.306 1.00 61.11 H new ATOM 0 HB2 ASN A 779 -22.999 -22.627 -2.339 1.00 44.53 H new ATOM 0 HB3 ASN A 779 -22.573 -23.810 -1.117 1.00 44.53 H new ATOM 0 HD21 ASN A 779 -25.019 -26.142 -2.054 1.00 51.12 H new ATOM 0 HD22 ASN A 779 -23.600 -25.745 -1.079 1.00 51.12 H new ATOM 737 N ILE A 780 -26.377 -22.210 -0.156 1.00 62.52 N ATOM 738 CA ILE A 780 -27.736 -21.779 -0.461 1.00 53.20 C ATOM 739 C ILE A 780 -27.798 -20.273 -0.685 1.00 42.42 C ATOM 740 O ILE A 780 -26.923 -19.519 -0.258 1.00 24.54 O ATOM 741 CB ILE A 780 -28.713 -22.160 0.667 1.00 72.23 C ATOM 742 CG1 ILE A 780 -29.814 -23.077 0.129 1.00 14.04 C ATOM 743 CG2 ILE A 780 -29.315 -20.910 1.290 1.00 13.42 C ATOM 744 CD1 ILE A 780 -29.808 -24.456 0.751 1.00 4.02 C ATOM 0 H ILE A 780 -26.304 -22.845 0.639 1.00 62.52 H new ATOM 0 HA ILE A 780 -28.032 -22.292 -1.376 1.00 53.20 H new ATOM 0 HB ILE A 780 -28.163 -22.698 1.439 1.00 72.23 H new ATOM 0 HG12 ILE A 780 -30.783 -22.611 0.307 1.00 14.04 H new ATOM 0 HG13 ILE A 780 -29.700 -23.174 -0.951 1.00 14.04 H new ATOM 0 HG21 ILE A 780 -30.003 -21.195 2.086 1.00 13.42 H new ATOM 0 HG22 ILE A 780 -28.519 -20.290 1.704 1.00 13.42 H new ATOM 0 HG23 ILE A 780 -29.854 -20.347 0.528 1.00 13.42 H new ATOM 0 HD11 ILE A 780 -30.614 -25.052 0.323 1.00 4.02 H new ATOM 0 HD12 ILE A 780 -28.853 -24.941 0.551 1.00 4.02 H new ATOM 0 HD13 ILE A 780 -29.953 -24.370 1.828 1.00 4.02 H new ATOM 756 N PRO A 781 -28.859 -19.819 -1.369 1.00 50.05 N ATOM 757 CA PRO A 781 -29.062 -18.397 -1.663 1.00 30.51 C ATOM 758 C PRO A 781 -29.400 -17.590 -0.414 1.00 42.32 C ATOM 759 O PRO A 781 -30.170 -16.631 -0.474 1.00 4.20 O ATOM 760 CB PRO A 781 -30.247 -18.401 -2.633 1.00 24.21 C ATOM 761 CG PRO A 781 -30.984 -19.658 -2.325 1.00 75.30 C ATOM 762 CD PRO A 781 -29.941 -20.659 -1.909 1.00 10.43 C ATOM 0 HA PRO A 781 -28.163 -17.932 -2.068 1.00 30.51 H new ATOM 0 HB2 PRO A 781 -30.880 -17.525 -2.488 1.00 24.21 H new ATOM 0 HB3 PRO A 781 -29.910 -18.383 -3.670 1.00 24.21 H new ATOM 0 HG2 PRO A 781 -31.711 -19.499 -1.529 1.00 75.30 H new ATOM 0 HG3 PRO A 781 -31.537 -20.010 -3.196 1.00 75.30 H new ATOM 0 HD2 PRO A 781 -30.325 -21.351 -1.159 1.00 10.43 H new ATOM 0 HD3 PRO A 781 -29.601 -21.259 -2.753 1.00 10.43 H new ATOM 770 N GLN A 782 -28.818 -17.982 0.714 1.00 63.34 N ATOM 771 CA GLN A 782 -29.057 -17.294 1.977 1.00 61.03 C ATOM 772 C GLN A 782 -28.150 -16.075 2.113 1.00 72.30 C ATOM 773 O GLN A 782 -28.447 -15.150 2.869 1.00 51.31 O ATOM 774 CB GLN A 782 -28.832 -18.246 3.152 1.00 41.03 C ATOM 775 CG GLN A 782 -29.136 -17.624 4.506 1.00 61.10 C ATOM 776 CD GLN A 782 -29.203 -18.652 5.618 1.00 4.23 C ATOM 777 OE1 GLN A 782 -30.121 -18.638 6.438 1.00 70.01 O ATOM 778 NE2 GLN A 782 -28.227 -19.553 5.652 1.00 42.34 N ATOM 0 H GLN A 782 -28.177 -18.773 0.779 1.00 63.34 H new ATOM 0 HA GLN A 782 -30.093 -16.956 1.987 1.00 61.03 H new ATOM 0 HB2 GLN A 782 -29.457 -19.129 3.018 1.00 41.03 H new ATOM 0 HB3 GLN A 782 -27.796 -18.585 3.141 1.00 41.03 H new ATOM 0 HG2 GLN A 782 -28.369 -16.887 4.743 1.00 61.10 H new ATOM 0 HG3 GLN A 782 -30.085 -17.090 4.452 1.00 61.10 H new ATOM 0 HE21 GLN A 782 -27.485 -19.528 4.952 1.00 42.34 H new ATOM 0 HE22 GLN A 782 -28.220 -20.270 6.378 1.00 42.34 H new ATOM 787 N TYR A 783 -27.044 -16.083 1.378 1.00 5.11 N ATOM 788 CA TYR A 783 -26.091 -14.979 1.420 1.00 72.43 C ATOM 789 C TYR A 783 -26.670 -13.736 0.751 1.00 44.34 C ATOM 790 O TYR A 783 -26.504 -12.619 1.241 1.00 40.33 O ATOM 791 CB TYR A 783 -24.785 -15.380 0.733 1.00 0.12 C ATOM 792 CG TYR A 783 -23.906 -14.204 0.370 1.00 65.11 C ATOM 793 CD1 TYR A 783 -24.024 -13.580 -0.866 1.00 12.13 C ATOM 794 CD2 TYR A 783 -22.957 -13.718 1.260 1.00 31.55 C ATOM 795 CE1 TYR A 783 -23.224 -12.506 -1.203 1.00 12.54 C ATOM 796 CE2 TYR A 783 -22.153 -12.645 0.933 1.00 53.32 C ATOM 797 CZ TYR A 783 -22.290 -12.042 -0.300 1.00 53.10 C ATOM 798 OH TYR A 783 -21.490 -10.971 -0.631 1.00 71.42 O ATOM 0 H TYR A 783 -26.785 -16.841 0.746 1.00 5.11 H new ATOM 0 HA TYR A 783 -25.887 -14.746 2.465 1.00 72.43 H new ATOM 0 HB2 TYR A 783 -24.229 -16.049 1.390 1.00 0.12 H new ATOM 0 HB3 TYR A 783 -25.018 -15.942 -0.172 1.00 0.12 H new ATOM 0 HD1 TYR A 783 -24.754 -13.941 -1.575 1.00 12.13 H new ATOM 0 HD2 TYR A 783 -22.846 -14.188 2.226 1.00 31.55 H new ATOM 0 HE1 TYR A 783 -23.329 -12.032 -2.168 1.00 12.54 H new ATOM 0 HE2 TYR A 783 -21.421 -12.280 1.638 1.00 53.32 H new ATOM 0 HH TYR A 783 -20.888 -10.770 0.115 1.00 71.42 H new ATOM 808 N LEU A 784 -27.349 -13.938 -0.373 1.00 22.42 N ATOM 809 CA LEU A 784 -27.953 -12.835 -1.112 1.00 13.24 C ATOM 810 C LEU A 784 -29.346 -12.519 -0.575 1.00 70.01 C ATOM 811 O LEU A 784 -29.829 -11.392 -0.693 1.00 64.22 O ATOM 812 CB LEU A 784 -28.032 -13.174 -2.600 1.00 74.32 C ATOM 813 CG LEU A 784 -28.007 -11.985 -3.562 1.00 34.25 C ATOM 814 CD1 LEU A 784 -26.733 -11.176 -3.378 1.00 11.33 C ATOM 815 CD2 LEU A 784 -28.135 -12.461 -5.002 1.00 53.50 C ATOM 0 H LEU A 784 -27.495 -14.856 -0.793 1.00 22.42 H new ATOM 0 HA LEU A 784 -27.324 -11.954 -0.980 1.00 13.24 H new ATOM 0 HB2 LEU A 784 -27.199 -13.833 -2.847 1.00 74.32 H new ATOM 0 HB3 LEU A 784 -28.948 -13.738 -2.775 1.00 74.32 H new ATOM 0 HG LEU A 784 -28.857 -11.342 -3.336 1.00 34.25 H new ATOM 0 HD11 LEU A 784 -26.733 -10.334 -4.071 1.00 11.33 H new ATOM 0 HD12 LEU A 784 -26.683 -10.804 -2.355 1.00 11.33 H new ATOM 0 HD13 LEU A 784 -25.868 -11.809 -3.576 1.00 11.33 H new ATOM 0 HD21 LEU A 784 -28.115 -11.602 -5.672 1.00 53.50 H new ATOM 0 HD22 LEU A 784 -27.305 -13.126 -5.240 1.00 53.50 H new ATOM 0 HD23 LEU A 784 -29.076 -12.996 -5.126 1.00 53.50 H new ATOM 827 N LYS A 785 -29.988 -13.521 0.017 1.00 71.25 N ATOM 828 CA LYS A 785 -31.325 -13.352 0.574 1.00 4.41 C ATOM 829 C LYS A 785 -31.368 -13.808 2.029 1.00 71.13 C ATOM 830 O LYS A 785 -32.123 -14.712 2.383 1.00 71.50 O ATOM 831 CB LYS A 785 -32.347 -14.138 -0.249 1.00 60.45 C ATOM 832 CG LYS A 785 -33.787 -13.876 0.158 1.00 43.01 C ATOM 833 CD LYS A 785 -34.641 -15.125 0.020 1.00 54.41 C ATOM 834 CE LYS A 785 -34.249 -16.184 1.038 1.00 42.13 C ATOM 835 NZ LYS A 785 -35.257 -17.278 1.117 1.00 42.13 N1+ ATOM 0 H LYS A 785 -29.603 -14.460 0.123 1.00 71.25 H new ATOM 0 HA LYS A 785 -31.577 -12.292 0.535 1.00 4.41 H new ATOM 0 HB2 LYS A 785 -32.224 -13.885 -1.302 1.00 60.45 H new ATOM 0 HB3 LYS A 785 -32.138 -15.203 -0.150 1.00 60.45 H new ATOM 0 HG2 LYS A 785 -33.817 -13.526 1.190 1.00 43.01 H new ATOM 0 HG3 LYS A 785 -34.202 -13.080 -0.461 1.00 43.01 H new ATOM 0 HD2 LYS A 785 -35.691 -14.865 0.150 1.00 54.41 H new ATOM 0 HD3 LYS A 785 -34.535 -15.530 -0.987 1.00 54.41 H new ATOM 0 HE2 LYS A 785 -33.279 -16.603 0.771 1.00 42.13 H new ATOM 0 HE3 LYS A 785 -34.138 -15.721 2.019 1.00 42.13 H new ATOM 0 HZ1 LYS A 785 -34.953 -17.980 1.822 1.00 42.13 H new ATOM 0 HZ2 LYS A 785 -36.177 -16.883 1.397 1.00 42.13 H new ATOM 0 HZ3 LYS A 785 -35.345 -17.737 0.188 1.00 42.13 H new