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 782 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Set 1.2: A 785 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.115) USER MOD Set 2.1: A 757 ASN : amide:sc= -0.121 K(o=0.12,f=-0.81) USER MOD Set 2.2: A 761 LYS NZ :NH3+ -124:sc= 0.241 (180deg=-0.04) USER MOD Single : A 739 THR OG1 : rot -24:sc= 0.129 USER MOD Single : A 740 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0987) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 744 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=-0.032) USER MOD Single : A 756 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.1) USER MOD Single : A 759 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.25) USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 765 GLN : amide:sc= -0.0927 X(o=-0.093,f=-0.42) USER MOD Single : A 766 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 768 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 783 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N THR A 739 -9.940 -1.582 3.854 1.00 21.02 N ATOM 38 CA THR A 739 -8.941 -2.592 4.182 1.00 73.42 C ATOM 39 C THR A 739 -9.165 -3.151 5.582 1.00 31.51 C ATOM 40 O THR A 739 -8.961 -4.341 5.827 1.00 34.30 O ATOM 41 CB THR A 739 -7.513 -2.021 4.092 1.00 74.51 C ATOM 42 OG1 THR A 739 -7.416 -0.822 4.867 1.00 53.22 O ATOM 43 CG2 THR A 739 -7.138 -1.730 2.647 1.00 63.13 C ATOM 0 HA THR A 739 -9.050 -3.393 3.451 1.00 73.42 H new ATOM 0 HB THR A 739 -6.821 -2.765 4.487 1.00 74.51 H new ATOM 0 HG1 THR A 739 -8.306 -0.424 4.966 1.00 53.22 H new ATOM 0 HG21 THR A 739 -6.126 -1.328 2.608 1.00 63.13 H new ATOM 0 HG22 THR A 739 -7.185 -2.651 2.066 1.00 63.13 H new ATOM 0 HG23 THR A 739 -7.834 -1.002 2.230 1.00 63.13 H new ATOM 51 N LYS A 740 -9.587 -2.288 6.499 1.00 43.31 N ATOM 52 CA LYS A 740 -9.841 -2.694 7.876 1.00 21.54 C ATOM 53 C LYS A 740 -10.838 -3.848 7.927 1.00 30.21 C ATOM 54 O LYS A 740 -10.536 -4.919 8.454 1.00 21.24 O ATOM 55 CB LYS A 740 -10.371 -1.512 8.690 1.00 21.43 C ATOM 56 CG LYS A 740 -9.381 -0.366 8.813 1.00 31.04 C ATOM 57 CD LYS A 740 -10.068 0.982 8.669 1.00 24.52 C ATOM 58 CE LYS A 740 -9.847 1.573 7.285 1.00 12.40 C ATOM 59 NZ LYS A 740 -10.929 1.186 6.337 1.00 34.34 N1+ ATOM 0 H LYS A 740 -9.761 -1.300 6.313 1.00 43.31 H new ATOM 0 HA LYS A 740 -8.899 -3.030 8.309 1.00 21.54 H new ATOM 0 HB2 LYS A 740 -11.286 -1.143 8.226 1.00 21.43 H new ATOM 0 HB3 LYS A 740 -10.638 -1.859 9.688 1.00 21.43 H new ATOM 0 HG2 LYS A 740 -8.880 -0.419 9.780 1.00 31.04 H new ATOM 0 HG3 LYS A 740 -8.610 -0.466 8.049 1.00 31.04 H new ATOM 0 HD2 LYS A 740 -11.137 0.869 8.851 1.00 24.52 H new ATOM 0 HD3 LYS A 740 -9.687 1.669 9.425 1.00 24.52 H new ATOM 0 HE2 LYS A 740 -9.799 2.660 7.358 1.00 12.40 H new ATOM 0 HE3 LYS A 740 -8.886 1.237 6.896 1.00 12.40 H new ATOM 0 HZ1 LYS A 740 -10.507 0.816 5.461 1.00 34.34 H new ATOM 0 HZ2 LYS A 740 -11.525 0.453 6.771 1.00 34.34 H new ATOM 0 HZ3 LYS A 740 -11.511 2.019 6.116 1.00 34.34 H new ATOM 73 N ASP A 741 -12.025 -3.622 7.376 1.00 70.43 N ATOM 74 CA ASP A 741 -13.066 -4.644 7.355 1.00 23.13 C ATOM 75 C ASP A 741 -12.652 -5.824 6.483 1.00 30.53 C ATOM 76 O ASP A 741 -12.651 -6.972 6.932 1.00 74.51 O ATOM 77 CB ASP A 741 -14.381 -4.053 6.846 1.00 63.35 C ATOM 78 CG ASP A 741 -15.259 -3.537 7.968 1.00 20.25 C ATOM 79 OD1 ASP A 741 -15.150 -2.340 8.305 1.00 42.25 O ATOM 80 OD2 ASP A 741 -16.055 -4.332 8.510 1.00 14.43 O1- ATOM 0 H ASP A 741 -12.291 -2.740 6.938 1.00 70.43 H new ATOM 0 HA ASP A 741 -13.209 -5.002 8.374 1.00 23.13 H new ATOM 0 HB2 ASP A 741 -14.166 -3.239 6.154 1.00 63.35 H new ATOM 0 HB3 ASP A 741 -14.924 -4.813 6.285 1.00 63.35 H new ATOM 85 N LEU A 742 -12.300 -5.537 5.235 1.00 63.33 N ATOM 86 CA LEU A 742 -11.885 -6.576 4.298 1.00 42.20 C ATOM 87 C LEU A 742 -10.856 -7.504 4.935 1.00 31.04 C ATOM 88 O LEU A 742 -10.942 -8.725 4.804 1.00 42.15 O ATOM 89 CB LEU A 742 -11.303 -5.944 3.032 1.00 60.42 C ATOM 90 CG LEU A 742 -10.608 -6.902 2.063 1.00 53.32 C ATOM 91 CD1 LEU A 742 -10.782 -6.428 0.629 1.00 53.13 C ATOM 92 CD2 LEU A 742 -9.132 -7.032 2.408 1.00 31.33 C ATOM 0 H LEU A 742 -12.293 -4.593 4.848 1.00 63.33 H new ATOM 0 HA LEU A 742 -12.763 -7.165 4.033 1.00 42.20 H new ATOM 0 HB2 LEU A 742 -12.109 -5.440 2.498 1.00 60.42 H new ATOM 0 HB3 LEU A 742 -10.588 -5.177 3.329 1.00 60.42 H new ATOM 0 HG LEU A 742 -11.070 -7.884 2.159 1.00 53.32 H new ATOM 0 HD11 LEU A 742 -10.281 -7.121 -0.047 1.00 53.13 H new ATOM 0 HD12 LEU A 742 -11.844 -6.387 0.386 1.00 53.13 H new ATOM 0 HD13 LEU A 742 -10.346 -5.435 0.519 1.00 53.13 H new ATOM 0 HD21 LEU A 742 -8.654 -7.717 1.708 1.00 31.33 H new ATOM 0 HD22 LEU A 742 -8.655 -6.054 2.341 1.00 31.33 H new ATOM 0 HD23 LEU A 742 -9.028 -7.418 3.422 1.00 31.33 H new ATOM 104 N GLN A 743 -9.885 -6.917 5.629 1.00 73.45 N ATOM 105 CA GLN A 743 -8.842 -7.692 6.289 1.00 61.13 C ATOM 106 C GLN A 743 -9.307 -8.179 7.657 1.00 3.41 C ATOM 107 O GLN A 743 -8.769 -9.145 8.198 1.00 51.44 O ATOM 108 CB GLN A 743 -7.571 -6.854 6.437 1.00 64.21 C ATOM 109 CG GLN A 743 -6.950 -6.450 5.109 1.00 73.35 C ATOM 110 CD GLN A 743 -5.590 -5.801 5.274 1.00 61.52 C ATOM 111 OE1 GLN A 743 -5.425 -4.872 6.066 1.00 63.45 O ATOM 112 NE2 GLN A 743 -4.607 -6.288 4.525 1.00 2.25 N ATOM 0 H GLN A 743 -9.800 -5.908 5.748 1.00 73.45 H new ATOM 0 HA GLN A 743 -8.625 -8.562 5.670 1.00 61.13 H new ATOM 0 HB2 GLN A 743 -7.803 -5.955 7.008 1.00 64.21 H new ATOM 0 HB3 GLN A 743 -6.839 -7.419 7.014 1.00 64.21 H new ATOM 0 HG2 GLN A 743 -6.853 -7.331 4.475 1.00 73.35 H new ATOM 0 HG3 GLN A 743 -7.618 -5.759 4.595 1.00 73.35 H new ATOM 0 HE21 GLN A 743 -4.789 -7.059 3.882 1.00 2.25 H new ATOM 0 HE22 GLN A 743 -3.670 -5.891 4.593 1.00 2.25 H new ATOM 121 N GLN A 744 -10.308 -7.502 8.211 1.00 64.00 N ATOM 122 CA GLN A 744 -10.844 -7.865 9.517 1.00 20.15 C ATOM 123 C GLN A 744 -11.476 -9.252 9.480 1.00 22.42 C ATOM 124 O GLN A 744 -11.040 -10.164 10.184 1.00 45.11 O ATOM 125 CB GLN A 744 -11.878 -6.833 9.972 1.00 31.31 C ATOM 126 CG GLN A 744 -12.718 -7.293 11.153 1.00 24.23 C ATOM 127 CD GLN A 744 -13.305 -6.137 11.937 1.00 32.04 C ATOM 128 OE1 GLN A 744 -12.603 -5.464 12.693 1.00 41.15 O ATOM 129 NE2 GLN A 744 -14.600 -5.900 11.762 1.00 0.53 N ATOM 0 H GLN A 744 -10.764 -6.700 7.776 1.00 64.00 H new ATOM 0 HA GLN A 744 -10.018 -7.881 10.229 1.00 20.15 H new ATOM 0 HB2 GLN A 744 -11.364 -5.910 10.240 1.00 31.31 H new ATOM 0 HB3 GLN A 744 -12.538 -6.599 9.137 1.00 31.31 H new ATOM 0 HG2 GLN A 744 -13.526 -7.930 10.793 1.00 24.23 H new ATOM 0 HG3 GLN A 744 -12.103 -7.902 11.816 1.00 24.23 H new ATOM 0 HE21 GLN A 744 -15.144 -6.483 11.126 1.00 0.53 H new ATOM 0 HE22 GLN A 744 -15.051 -5.135 12.264 1.00 0.53 H new ATOM 138 N LYS A 745 -12.506 -9.407 8.655 1.00 61.21 N ATOM 139 CA LYS A 745 -13.198 -10.684 8.524 1.00 4.24 C ATOM 140 C LYS A 745 -12.206 -11.817 8.278 1.00 52.15 C ATOM 141 O LYS A 745 -12.308 -12.886 8.880 1.00 12.43 O ATOM 142 CB LYS A 745 -14.213 -10.623 7.380 1.00 4.42 C ATOM 143 CG LYS A 745 -13.762 -9.762 6.213 1.00 11.21 C ATOM 144 CD LYS A 745 -14.122 -10.397 4.881 1.00 75.03 C ATOM 145 CE LYS A 745 -13.340 -11.678 4.644 1.00 32.35 C ATOM 146 NZ LYS A 745 -13.391 -12.105 3.218 1.00 51.22 N1+ ATOM 0 H LYS A 745 -12.880 -8.663 8.066 1.00 61.21 H new ATOM 0 HA LYS A 745 -13.724 -10.881 9.458 1.00 4.24 H new ATOM 0 HB2 LYS A 745 -14.405 -11.634 7.022 1.00 4.42 H new ATOM 0 HB3 LYS A 745 -15.157 -10.236 7.763 1.00 4.42 H new ATOM 0 HG2 LYS A 745 -14.225 -8.778 6.285 1.00 11.21 H new ATOM 0 HG3 LYS A 745 -12.684 -9.611 6.266 1.00 11.21 H new ATOM 0 HD2 LYS A 745 -15.190 -10.612 4.856 1.00 75.03 H new ATOM 0 HD3 LYS A 745 -13.920 -9.692 4.075 1.00 75.03 H new ATOM 0 HE2 LYS A 745 -12.302 -11.530 4.941 1.00 32.35 H new ATOM 0 HE3 LYS A 745 -13.742 -12.471 5.275 1.00 32.35 H new ATOM 0 HZ1 LYS A 745 -12.845 -12.982 3.099 1.00 51.22 H new ATOM 0 HZ2 LYS A 745 -14.379 -12.271 2.941 1.00 51.22 H new ATOM 0 HZ3 LYS A 745 -12.984 -11.360 2.618 1.00 51.22 H new ATOM 160 N PHE A 746 -11.247 -11.576 7.390 1.00 53.00 N ATOM 161 CA PHE A 746 -10.237 -12.576 7.065 1.00 34.14 C ATOM 162 C PHE A 746 -9.298 -12.803 8.245 1.00 24.30 C ATOM 163 O PHE A 746 -8.803 -13.911 8.455 1.00 34.42 O ATOM 164 CB PHE A 746 -9.436 -12.142 5.837 1.00 50.12 C ATOM 165 CG PHE A 746 -8.544 -13.220 5.291 1.00 20.25 C ATOM 166 CD1 PHE A 746 -7.167 -13.132 5.425 1.00 41.34 C ATOM 167 CD2 PHE A 746 -9.081 -14.321 4.645 1.00 64.04 C ATOM 168 CE1 PHE A 746 -6.343 -14.123 4.925 1.00 52.54 C ATOM 169 CE2 PHE A 746 -8.262 -15.315 4.142 1.00 25.42 C ATOM 170 CZ PHE A 746 -6.891 -15.215 4.281 1.00 20.13 C ATOM 0 H PHE A 746 -11.148 -10.697 6.883 1.00 53.00 H new ATOM 0 HA PHE A 746 -10.747 -13.513 6.844 1.00 34.14 H new ATOM 0 HB2 PHE A 746 -10.127 -11.823 5.057 1.00 50.12 H new ATOM 0 HB3 PHE A 746 -8.828 -11.276 6.097 1.00 50.12 H new ATOM 0 HD1 PHE A 746 -6.733 -12.279 5.926 1.00 41.34 H new ATOM 0 HD2 PHE A 746 -10.152 -14.404 4.533 1.00 64.04 H new ATOM 0 HE1 PHE A 746 -5.272 -14.043 5.038 1.00 52.54 H new ATOM 0 HE2 PHE A 746 -8.694 -16.169 3.641 1.00 25.42 H new ATOM 0 HZ PHE A 746 -6.249 -15.989 3.887 1.00 20.13 H new ATOM 180 N TYR A 747 -9.054 -11.746 9.012 1.00 61.52 N ATOM 181 CA TYR A 747 -8.171 -11.829 10.169 1.00 11.11 C ATOM 182 C TYR A 747 -8.772 -12.721 11.251 1.00 13.24 C ATOM 183 O TYR A 747 -8.102 -13.079 12.219 1.00 41.45 O ATOM 184 CB TYR A 747 -7.905 -10.432 10.734 1.00 23.12 C ATOM 185 CG TYR A 747 -6.576 -9.850 10.308 1.00 32.24 C ATOM 186 CD1 TYR A 747 -6.120 -9.991 9.003 1.00 35.20 C ATOM 187 CD2 TYR A 747 -5.776 -9.160 11.210 1.00 25.44 C ATOM 188 CE1 TYR A 747 -4.907 -9.461 8.609 1.00 22.33 C ATOM 189 CE2 TYR A 747 -4.562 -8.626 10.825 1.00 61.20 C ATOM 190 CZ TYR A 747 -4.131 -8.780 9.523 1.00 3.33 C ATOM 191 OH TYR A 747 -2.921 -8.251 9.135 1.00 14.35 O ATOM 0 H TYR A 747 -9.455 -10.822 8.853 1.00 61.52 H new ATOM 0 HA TYR A 747 -7.228 -12.269 9.844 1.00 11.11 H new ATOM 0 HB2 TYR A 747 -8.704 -9.762 10.416 1.00 23.12 H new ATOM 0 HB3 TYR A 747 -7.941 -10.477 11.823 1.00 23.12 H new ATOM 0 HD1 TYR A 747 -6.725 -10.524 8.284 1.00 35.20 H new ATOM 0 HD2 TYR A 747 -6.109 -9.039 12.230 1.00 25.44 H new ATOM 0 HE1 TYR A 747 -4.568 -9.579 7.590 1.00 22.33 H new ATOM 0 HE2 TYR A 747 -3.953 -8.091 11.539 1.00 61.20 H new ATOM 0 HH TYR A 747 -2.501 -7.802 9.898 1.00 14.35 H new ATOM 201 N GLU A 748 -10.042 -13.075 11.079 1.00 61.21 N ATOM 202 CA GLU A 748 -10.735 -13.926 12.039 1.00 3.43 C ATOM 203 C GLU A 748 -10.516 -15.401 11.717 1.00 12.21 C ATOM 204 O GLU A 748 -10.576 -16.256 12.602 1.00 11.32 O ATOM 205 CB GLU A 748 -12.232 -13.610 12.048 1.00 25.21 C ATOM 206 CG GLU A 748 -12.542 -12.128 11.915 1.00 25.33 C ATOM 207 CD GLU A 748 -13.647 -11.678 12.851 1.00 1.32 C ATOM 208 OE1 GLU A 748 -13.539 -10.563 13.403 1.00 63.44 O ATOM 209 OE2 GLU A 748 -14.620 -12.440 13.031 1.00 31.11 O1- ATOM 0 H GLU A 748 -10.612 -12.786 10.284 1.00 61.21 H new ATOM 0 HA GLU A 748 -10.323 -13.724 13.028 1.00 3.43 H new ATOM 0 HB2 GLU A 748 -12.713 -14.148 11.231 1.00 25.21 H new ATOM 0 HB3 GLU A 748 -12.668 -13.982 12.975 1.00 25.21 H new ATOM 0 HG2 GLU A 748 -11.640 -11.552 12.120 1.00 25.33 H new ATOM 0 HG3 GLU A 748 -12.831 -11.912 10.887 1.00 25.33 H new ATOM 216 N ILE A 749 -10.264 -15.691 10.446 1.00 70.54 N ATOM 217 CA ILE A 749 -10.037 -17.062 10.006 1.00 22.35 C ATOM 218 C ILE A 749 -8.591 -17.485 10.247 1.00 54.11 C ATOM 219 O ILE A 749 -8.207 -18.616 9.951 1.00 33.11 O ATOM 220 CB ILE A 749 -10.370 -17.238 8.513 1.00 64.40 C ATOM 221 CG1 ILE A 749 -11.682 -16.530 8.174 1.00 73.14 C ATOM 222 CG2 ILE A 749 -10.451 -18.715 8.158 1.00 24.40 C ATOM 223 CD1 ILE A 749 -12.080 -16.658 6.720 1.00 40.22 C ATOM 0 H ILE A 749 -10.212 -14.995 9.702 1.00 70.54 H new ATOM 0 HA ILE A 749 -10.701 -17.695 10.594 1.00 22.35 H new ATOM 0 HB ILE A 749 -9.573 -16.787 7.923 1.00 64.40 H new ATOM 0 HG12 ILE A 749 -12.477 -16.939 8.797 1.00 73.14 H new ATOM 0 HG13 ILE A 749 -11.591 -15.473 8.426 1.00 73.14 H new ATOM 0 HG21 ILE A 749 -10.687 -18.822 7.099 1.00 24.40 H new ATOM 0 HG22 ILE A 749 -9.494 -19.192 8.366 1.00 24.40 H new ATOM 0 HG23 ILE A 749 -11.231 -19.190 8.754 1.00 24.40 H new ATOM 0 HD11 ILE A 749 -13.020 -16.132 6.552 1.00 40.22 H new ATOM 0 HD12 ILE A 749 -11.303 -16.223 6.091 1.00 40.22 H new ATOM 0 HD13 ILE A 749 -12.204 -17.711 6.468 1.00 40.22 H new ATOM 235 N ILE A 750 -7.795 -16.568 10.787 1.00 55.30 N ATOM 236 CA ILE A 750 -6.393 -16.846 11.070 1.00 24.22 C ATOM 237 C ILE A 750 -6.200 -17.283 12.518 1.00 11.11 C ATOM 238 O ILE A 750 -5.313 -18.080 12.826 1.00 44.13 O ATOM 239 CB ILE A 750 -5.508 -15.615 10.795 1.00 22.01 C ATOM 240 CG1 ILE A 750 -5.653 -15.172 9.338 1.00 13.42 C ATOM 241 CG2 ILE A 750 -4.054 -15.926 11.117 1.00 12.22 C ATOM 242 CD1 ILE A 750 -5.005 -13.836 9.046 1.00 60.34 C ATOM 0 H ILE A 750 -8.097 -15.627 11.037 1.00 55.30 H new ATOM 0 HA ILE A 750 -6.092 -17.656 10.405 1.00 24.22 H new ATOM 0 HB ILE A 750 -5.836 -14.798 11.438 1.00 22.01 H new ATOM 0 HG12 ILE A 750 -5.212 -15.930 8.690 1.00 13.42 H new ATOM 0 HG13 ILE A 750 -6.712 -15.116 9.087 1.00 13.42 H new ATOM 0 HG21 ILE A 750 -3.441 -15.047 10.918 1.00 12.22 H new ATOM 0 HG22 ILE A 750 -3.965 -16.200 12.168 1.00 12.22 H new ATOM 0 HG23 ILE A 750 -3.713 -16.754 10.496 1.00 12.22 H new ATOM 0 HD11 ILE A 750 -5.147 -13.585 7.995 1.00 60.34 H new ATOM 0 HD12 ILE A 750 -5.462 -13.066 9.668 1.00 60.34 H new ATOM 0 HD13 ILE A 750 -3.939 -13.893 9.265 1.00 60.34 H new ATOM 254 N LEU A 751 -7.039 -16.757 13.405 1.00 21.30 N ATOM 255 CA LEU A 751 -6.963 -17.094 14.823 1.00 40.33 C ATOM 256 C LEU A 751 -7.780 -18.344 15.129 1.00 31.24 C ATOM 257 O LEU A 751 -7.515 -19.047 16.105 1.00 12.03 O ATOM 258 CB LEU A 751 -7.461 -15.923 15.672 1.00 22.23 C ATOM 259 CG LEU A 751 -6.395 -14.934 16.144 1.00 64.22 C ATOM 260 CD1 LEU A 751 -5.893 -14.094 14.979 1.00 74.33 C ATOM 261 CD2 LEU A 751 -6.944 -14.042 17.248 1.00 70.41 C ATOM 0 H LEU A 751 -7.779 -16.096 13.168 1.00 21.30 H new ATOM 0 HA LEU A 751 -5.920 -17.295 15.069 1.00 40.33 H new ATOM 0 HB2 LEU A 751 -8.207 -15.375 15.097 1.00 22.23 H new ATOM 0 HB3 LEU A 751 -7.968 -16.326 16.549 1.00 22.23 H new ATOM 0 HG LEU A 751 -5.555 -15.501 16.546 1.00 64.22 H new ATOM 0 HD11 LEU A 751 -5.135 -13.396 15.334 1.00 74.33 H new ATOM 0 HD12 LEU A 751 -5.459 -14.746 14.221 1.00 74.33 H new ATOM 0 HD13 LEU A 751 -6.725 -13.538 14.547 1.00 74.33 H new ATOM 0 HD21 LEU A 751 -6.171 -13.345 17.571 1.00 70.41 H new ATOM 0 HD22 LEU A 751 -7.802 -13.484 16.872 1.00 70.41 H new ATOM 0 HD23 LEU A 751 -7.253 -14.657 18.093 1.00 70.41 H new ATOM 273 N ASP A 752 -8.773 -18.617 14.290 1.00 62.01 N ATOM 274 CA ASP A 752 -9.627 -19.784 14.469 1.00 32.43 C ATOM 275 C ASP A 752 -9.019 -21.012 13.796 1.00 50.32 C ATOM 276 O ASP A 752 -9.381 -22.147 14.107 1.00 53.51 O ATOM 277 CB ASP A 752 -11.022 -19.515 13.902 1.00 3.51 C ATOM 278 CG ASP A 752 -12.088 -19.477 14.979 1.00 5.33 C ATOM 279 OD1 ASP A 752 -12.851 -18.489 15.025 1.00 72.13 O ATOM 280 OD2 ASP A 752 -12.158 -20.434 15.778 1.00 10.03 O1- ATOM 0 H ASP A 752 -9.006 -18.045 13.478 1.00 62.01 H new ATOM 0 HA ASP A 752 -9.710 -19.981 15.538 1.00 32.43 H new ATOM 0 HB2 ASP A 752 -11.016 -18.565 13.367 1.00 3.51 H new ATOM 0 HB3 ASP A 752 -11.271 -20.289 13.176 1.00 3.51 H new ATOM 285 N ILE A 753 -8.095 -20.775 12.871 1.00 62.42 N ATOM 286 CA ILE A 753 -7.438 -21.861 12.154 1.00 3.51 C ATOM 287 C ILE A 753 -6.416 -22.565 13.040 1.00 63.11 C ATOM 288 O ILE A 753 -6.035 -23.706 12.778 1.00 15.44 O ATOM 289 CB ILE A 753 -6.733 -21.350 10.883 1.00 31.10 C ATOM 290 CG1 ILE A 753 -6.303 -22.527 10.005 1.00 52.34 C ATOM 291 CG2 ILE A 753 -5.533 -20.491 11.251 1.00 71.10 C ATOM 292 CD1 ILE A 753 -7.463 -23.355 9.495 1.00 63.35 C ATOM 0 H ILE A 753 -7.785 -19.842 12.601 1.00 62.42 H new ATOM 0 HA ILE A 753 -8.217 -22.568 11.869 1.00 3.51 H new ATOM 0 HB ILE A 753 -7.434 -20.736 10.318 1.00 31.10 H new ATOM 0 HG12 ILE A 753 -5.736 -22.148 9.155 1.00 52.34 H new ATOM 0 HG13 ILE A 753 -5.631 -23.169 10.575 1.00 52.34 H new ATOM 0 HG21 ILE A 753 -5.046 -20.138 10.342 1.00 71.10 H new ATOM 0 HG22 ILE A 753 -5.864 -19.636 11.841 1.00 71.10 H new ATOM 0 HG23 ILE A 753 -4.827 -21.082 11.834 1.00 71.10 H new ATOM 0 HD11 ILE A 753 -7.085 -24.171 8.880 1.00 63.35 H new ATOM 0 HD12 ILE A 753 -8.017 -23.764 10.340 1.00 63.35 H new ATOM 0 HD13 ILE A 753 -8.124 -22.727 8.897 1.00 63.35 H new ATOM 304 N GLU A 754 -5.977 -21.878 14.090 1.00 41.12 N ATOM 305 CA GLU A 754 -5.000 -22.438 15.015 1.00 23.32 C ATOM 306 C GLU A 754 -5.683 -23.307 16.067 1.00 3.12 C ATOM 307 O GLU A 754 -5.209 -24.395 16.392 1.00 4.44 O ATOM 308 CB GLU A 754 -4.208 -21.320 15.696 1.00 60.41 C ATOM 309 CG GLU A 754 -3.260 -20.589 14.760 1.00 64.32 C ATOM 310 CD GLU A 754 -2.607 -19.386 15.414 1.00 54.24 C ATOM 311 OE1 GLU A 754 -1.531 -19.554 16.025 1.00 52.45 O ATOM 312 OE2 GLU A 754 -3.173 -18.277 15.314 1.00 74.43 O1- ATOM 0 H GLU A 754 -6.283 -20.933 14.321 1.00 41.12 H new ATOM 0 HA GLU A 754 -4.313 -23.062 14.443 1.00 23.32 H new ATOM 0 HB2 GLU A 754 -4.906 -20.602 16.126 1.00 60.41 H new ATOM 0 HB3 GLU A 754 -3.636 -21.743 16.522 1.00 60.41 H new ATOM 0 HG2 GLU A 754 -2.487 -21.278 14.421 1.00 64.32 H new ATOM 0 HG3 GLU A 754 -3.807 -20.264 13.875 1.00 64.32 H new ATOM 319 N GLN A 755 -6.799 -22.816 16.597 1.00 62.11 N ATOM 320 CA GLN A 755 -7.547 -23.546 17.614 1.00 44.42 C ATOM 321 C GLN A 755 -7.937 -24.931 17.112 1.00 35.41 C ATOM 322 O GLN A 755 -8.124 -25.857 17.901 1.00 74.33 O ATOM 323 CB GLN A 755 -8.798 -22.764 18.016 1.00 10.21 C ATOM 324 CG GLN A 755 -8.588 -21.852 19.214 1.00 61.02 C ATOM 325 CD GLN A 755 -9.196 -20.477 19.014 1.00 32.32 C ATOM 326 OE1 GLN A 755 -8.484 -19.497 18.796 1.00 42.02 O ATOM 327 NE2 GLN A 755 -10.520 -20.399 19.089 1.00 25.21 N ATOM 0 H GLN A 755 -7.205 -21.916 16.339 1.00 62.11 H new ATOM 0 HA GLN A 755 -6.905 -23.664 18.487 1.00 44.42 H new ATOM 0 HB2 GLN A 755 -9.130 -22.165 17.168 1.00 10.21 H new ATOM 0 HB3 GLN A 755 -9.599 -23.468 18.242 1.00 10.21 H new ATOM 0 HG2 GLN A 755 -9.026 -22.314 20.099 1.00 61.02 H new ATOM 0 HG3 GLN A 755 -7.520 -21.749 19.404 1.00 61.02 H new ATOM 0 HE21 GLN A 755 -11.071 -21.238 19.272 1.00 25.21 H new ATOM 0 HE22 GLN A 755 -10.986 -19.500 18.964 1.00 25.21 H new ATOM 336 N ASN A 756 -8.059 -25.067 15.796 1.00 42.10 N ATOM 337 CA ASN A 756 -8.428 -26.340 15.189 1.00 55.31 C ATOM 338 C ASN A 756 -7.431 -27.432 15.565 1.00 11.11 C ATOM 339 O ASN A 756 -7.754 -28.618 15.534 1.00 21.31 O ATOM 340 CB ASN A 756 -8.499 -26.202 13.667 1.00 60.02 C ATOM 341 CG ASN A 756 -8.456 -27.544 12.961 1.00 2.32 C ATOM 342 OD1 ASN A 756 -9.168 -28.476 13.334 1.00 32.22 O ATOM 343 ND2 ASN A 756 -7.619 -27.647 11.937 1.00 62.53 N ATOM 0 H ASN A 756 -7.908 -24.310 15.129 1.00 42.10 H new ATOM 0 HA ASN A 756 -9.410 -26.623 15.568 1.00 55.31 H new ATOM 0 HB2 ASN A 756 -9.417 -25.681 13.395 1.00 60.02 H new ATOM 0 HB3 ASN A 756 -7.668 -25.586 13.322 1.00 60.02 H new ATOM 0 HD21 ASN A 756 -7.547 -28.525 11.424 1.00 62.53 H new ATOM 0 HD22 ASN A 756 -7.048 -26.848 11.663 1.00 62.53 H new ATOM 350 N ASN A 757 -6.219 -27.021 15.922 1.00 65.21 N ATOM 351 CA ASN A 757 -5.175 -27.964 16.305 1.00 24.23 C ATOM 352 C ASN A 757 -5.120 -28.129 17.822 1.00 71.14 C ATOM 353 O ASN A 757 -4.927 -29.234 18.330 1.00 40.41 O ATOM 354 CB ASN A 757 -3.816 -27.492 15.783 1.00 4.04 C ATOM 355 CG ASN A 757 -3.161 -28.511 14.871 1.00 33.44 C ATOM 356 OD1 ASN A 757 -3.788 -29.027 13.946 1.00 13.43 O ATOM 357 ND2 ASN A 757 -1.893 -28.808 15.129 1.00 4.35 N ATOM 0 H ASN A 757 -5.936 -26.042 15.954 1.00 65.21 H new ATOM 0 HA ASN A 757 -5.412 -28.930 15.860 1.00 24.23 H new ATOM 0 HB2 ASN A 757 -3.943 -26.554 15.243 1.00 4.04 H new ATOM 0 HB3 ASN A 757 -3.157 -27.287 16.627 1.00 4.04 H new ATOM 0 HD21 ASN A 757 -1.400 -29.488 14.550 1.00 4.35 H new ATOM 0 HD22 ASN A 757 -1.411 -28.356 15.906 1.00 4.35 H new ATOM 364 N VAL A 758 -5.292 -27.024 18.538 1.00 40.31 N ATOM 365 CA VAL A 758 -5.265 -27.044 19.996 1.00 21.42 C ATOM 366 C VAL A 758 -6.479 -27.776 20.557 1.00 1.04 C ATOM 367 O VAL A 758 -6.427 -28.334 21.653 1.00 52.12 O ATOM 368 CB VAL A 758 -5.222 -25.619 20.577 1.00 34.24 C ATOM 369 CG1 VAL A 758 -5.075 -25.664 22.091 1.00 71.44 C ATOM 370 CG2 VAL A 758 -4.092 -24.820 19.947 1.00 21.53 C ATOM 0 H VAL A 758 -5.452 -26.102 18.132 1.00 40.31 H new ATOM 0 HA VAL A 758 -4.358 -27.573 20.289 1.00 21.42 H new ATOM 0 HB VAL A 758 -6.163 -25.121 20.342 1.00 34.24 H new ATOM 0 HG11 VAL A 758 -5.046 -24.648 22.484 1.00 71.44 H new ATOM 0 HG12 VAL A 758 -5.922 -26.197 22.523 1.00 71.44 H new ATOM 0 HG13 VAL A 758 -4.151 -26.180 22.352 1.00 71.44 H new ATOM 0 HG21 VAL A 758 -4.077 -23.815 20.370 1.00 21.53 H new ATOM 0 HG22 VAL A 758 -3.141 -25.313 20.149 1.00 21.53 H new ATOM 0 HG23 VAL A 758 -4.247 -24.758 18.870 1.00 21.53 H new ATOM 380 N GLN A 759 -7.570 -27.768 19.799 1.00 54.40 N ATOM 381 CA GLN A 759 -8.798 -28.431 20.222 1.00 51.43 C ATOM 382 C GLN A 759 -9.121 -29.612 19.313 1.00 50.32 C ATOM 383 O GLN A 759 -10.267 -29.803 18.909 1.00 50.11 O ATOM 384 CB GLN A 759 -9.964 -27.439 20.223 1.00 62.31 C ATOM 385 CG GLN A 759 -9.660 -26.144 20.958 1.00 53.34 C ATOM 386 CD GLN A 759 -10.764 -25.745 21.916 1.00 12.23 C ATOM 387 OE1 GLN A 759 -11.263 -26.567 22.686 1.00 60.31 O ATOM 388 NE2 GLN A 759 -11.154 -24.475 21.876 1.00 23.41 N ATOM 0 H GLN A 759 -7.629 -27.310 18.889 1.00 54.40 H new ATOM 0 HA GLN A 759 -8.648 -28.806 21.234 1.00 51.43 H new ATOM 0 HB2 GLN A 759 -10.234 -27.207 19.193 1.00 62.31 H new ATOM 0 HB3 GLN A 759 -10.832 -27.912 20.682 1.00 62.31 H new ATOM 0 HG2 GLN A 759 -8.727 -26.255 21.510 1.00 53.34 H new ATOM 0 HG3 GLN A 759 -9.508 -25.345 20.232 1.00 53.34 H new ATOM 0 HE21 GLN A 759 -10.714 -23.827 21.223 1.00 23.41 H new ATOM 0 HE22 GLN A 759 -11.893 -24.149 22.498 1.00 23.41 H new ATOM 397 N GLY A 760 -8.101 -30.402 18.992 1.00 30.14 N ATOM 398 CA GLY A 760 -8.296 -31.554 18.132 1.00 11.00 C ATOM 399 C GLY A 760 -7.480 -32.753 18.574 1.00 20.12 C ATOM 400 O GLY A 760 -7.950 -33.889 18.519 1.00 72.30 O ATOM 0 H GLY A 760 -7.143 -30.264 19.313 1.00 30.14 H new ATOM 0 HA2 GLY A 760 -9.353 -31.821 18.122 1.00 11.00 H new ATOM 0 HA3 GLY A 760 -8.024 -31.290 17.110 1.00 11.00 H new ATOM 404 N LYS A 761 -6.251 -32.500 19.013 1.00 63.31 N ATOM 405 CA LYS A 761 -5.366 -33.567 19.465 1.00 41.01 C ATOM 406 C LYS A 761 -5.882 -34.190 20.758 1.00 71.41 C ATOM 407 O LYS A 761 -5.548 -35.329 21.087 1.00 21.44 O ATOM 408 CB LYS A 761 -3.950 -33.026 19.677 1.00 1.05 C ATOM 409 CG LYS A 761 -3.108 -33.013 18.413 1.00 1.40 C ATOM 410 CD LYS A 761 -3.290 -31.720 17.636 1.00 41.01 C ATOM 411 CE LYS A 761 -2.924 -31.895 16.170 1.00 1.30 C ATOM 412 NZ LYS A 761 -4.105 -31.720 15.279 1.00 61.20 N1+ ATOM 0 H LYS A 761 -5.846 -31.565 19.065 1.00 63.31 H new ATOM 0 HA LYS A 761 -5.343 -34.338 18.695 1.00 41.01 H new ATOM 0 HB2 LYS A 761 -4.013 -32.012 20.072 1.00 1.05 H new ATOM 0 HB3 LYS A 761 -3.448 -33.631 20.432 1.00 1.05 H new ATOM 0 HG2 LYS A 761 -2.057 -33.137 18.673 1.00 1.40 H new ATOM 0 HG3 LYS A 761 -3.383 -33.859 17.783 1.00 1.40 H new ATOM 0 HD2 LYS A 761 -4.325 -31.388 17.717 1.00 41.01 H new ATOM 0 HD3 LYS A 761 -2.670 -30.939 18.076 1.00 41.01 H new ATOM 0 HE2 LYS A 761 -2.154 -31.172 15.899 1.00 1.30 H new ATOM 0 HE3 LYS A 761 -2.498 -32.887 16.018 1.00 1.30 H new ATOM 0 HZ1 LYS A 761 -4.223 -32.568 14.689 1.00 61.20 H new ATOM 0 HZ2 LYS A 761 -4.958 -31.579 15.857 1.00 61.20 H new ATOM 0 HZ3 LYS A 761 -3.959 -30.891 14.668 1.00 61.20 H new ATOM 426 N THR A 762 -6.700 -33.437 21.488 1.00 20.31 N ATOM 427 CA THR A 762 -7.262 -33.917 22.744 1.00 41.43 C ATOM 428 C THR A 762 -8.646 -34.521 22.532 1.00 5.01 C ATOM 429 O THR A 762 -9.521 -34.407 23.388 1.00 13.40 O ATOM 430 CB THR A 762 -7.363 -32.783 23.783 1.00 73.40 C ATOM 431 OG1 THR A 762 -6.211 -31.938 23.698 1.00 3.11 O ATOM 432 CG2 THR A 762 -7.481 -33.349 25.190 1.00 61.12 C ATOM 0 H THR A 762 -6.988 -32.493 21.231 1.00 20.31 H new ATOM 0 HA THR A 762 -6.587 -34.686 23.120 1.00 41.43 H new ATOM 0 HB THR A 762 -8.258 -32.199 23.567 1.00 73.40 H new ATOM 0 HG1 THR A 762 -6.283 -31.219 24.360 1.00 3.11 H new ATOM 0 HG21 THR A 762 -7.551 -32.531 25.907 1.00 61.12 H new ATOM 0 HG22 THR A 762 -8.375 -33.969 25.259 1.00 61.12 H new ATOM 0 HG23 THR A 762 -6.602 -33.953 25.414 1.00 61.12 H new ATOM 440 N GLY A 763 -8.836 -35.165 21.384 1.00 52.42 N ATOM 441 CA GLY A 763 -10.116 -35.778 21.081 1.00 64.30 C ATOM 442 C GLY A 763 -11.274 -34.814 21.246 1.00 70.21 C ATOM 443 O GLY A 763 -12.189 -35.062 22.031 1.00 51.11 O ATOM 0 H GLY A 763 -8.127 -35.273 20.659 1.00 52.42 H new ATOM 0 HA2 GLY A 763 -10.103 -36.153 20.058 1.00 64.30 H new ATOM 0 HA3 GLY A 763 -10.267 -36.638 21.734 1.00 64.30 H new ATOM 447 N ILE A 764 -11.234 -33.712 20.505 1.00 42.41 N ATOM 448 CA ILE A 764 -12.289 -32.708 20.572 1.00 4.25 C ATOM 449 C ILE A 764 -12.325 -31.863 19.305 1.00 44.54 C ATOM 450 O ILE A 764 -12.816 -30.733 19.313 1.00 35.03 O ATOM 451 CB ILE A 764 -12.104 -31.781 21.789 1.00 51.43 C ATOM 452 CG1 ILE A 764 -13.406 -31.034 22.089 1.00 11.24 C ATOM 453 CG2 ILE A 764 -10.969 -30.799 21.541 1.00 71.42 C ATOM 454 CD1 ILE A 764 -14.035 -31.422 23.410 1.00 45.20 C ATOM 0 H ILE A 764 -10.483 -33.492 19.851 1.00 42.41 H new ATOM 0 HA ILE A 764 -13.232 -33.246 20.673 1.00 4.25 H new ATOM 0 HB ILE A 764 -11.847 -32.390 22.656 1.00 51.43 H new ATOM 0 HG12 ILE A 764 -13.208 -29.962 22.091 1.00 11.24 H new ATOM 0 HG13 ILE A 764 -14.118 -31.225 21.286 1.00 11.24 H new ATOM 0 HG21 ILE A 764 -10.852 -30.152 22.410 1.00 71.42 H new ATOM 0 HG22 ILE A 764 -10.043 -31.348 21.370 1.00 71.42 H new ATOM 0 HG23 ILE A 764 -11.198 -30.192 20.665 1.00 71.42 H new ATOM 0 HD11 ILE A 764 -14.953 -30.854 23.557 1.00 45.20 H new ATOM 0 HD12 ILE A 764 -14.265 -32.488 23.405 1.00 45.20 H new ATOM 0 HD13 ILE A 764 -13.340 -31.205 24.221 1.00 45.20 H new ATOM 466 N GLN A 765 -11.804 -32.417 18.214 1.00 10.34 N ATOM 467 CA GLN A 765 -11.778 -31.713 16.938 1.00 35.14 C ATOM 468 C GLN A 765 -13.186 -31.316 16.507 1.00 34.32 C ATOM 469 O GLN A 765 -13.366 -30.378 15.730 1.00 30.44 O ATOM 470 CB GLN A 765 -11.131 -32.588 15.863 1.00 42.02 C ATOM 471 CG GLN A 765 -9.904 -31.957 15.224 1.00 24.31 C ATOM 472 CD GLN A 765 -9.973 -31.949 13.710 1.00 74.15 C ATOM 473 OE1 GLN A 765 -11.030 -31.704 13.126 1.00 20.44 O ATOM 474 NE2 GLN A 765 -8.845 -32.218 13.063 1.00 13.30 N ATOM 0 H GLN A 765 -11.395 -33.351 18.189 1.00 10.34 H new ATOM 0 HA GLN A 765 -11.187 -30.806 17.063 1.00 35.14 H new ATOM 0 HB2 GLN A 765 -10.850 -33.544 16.305 1.00 42.02 H new ATOM 0 HB3 GLN A 765 -11.867 -32.800 15.087 1.00 42.02 H new ATOM 0 HG2 GLN A 765 -9.797 -30.934 15.584 1.00 24.31 H new ATOM 0 HG3 GLN A 765 -9.014 -32.501 15.540 1.00 24.31 H new ATOM 0 HE21 GLN A 765 -7.992 -32.415 13.586 1.00 13.30 H new ATOM 0 HE22 GLN A 765 -8.832 -32.227 12.043 1.00 13.30 H new ATOM 483 N GLN A 766 -14.181 -32.037 17.016 1.00 41.21 N ATOM 484 CA GLN A 766 -15.573 -31.759 16.682 1.00 65.23 C ATOM 485 C GLN A 766 -15.955 -30.337 17.080 1.00 40.14 C ATOM 486 O GLN A 766 -16.927 -29.778 16.568 1.00 63.11 O ATOM 487 CB GLN A 766 -16.496 -32.761 17.377 1.00 25.43 C ATOM 488 CG GLN A 766 -17.800 -33.003 16.636 1.00 12.31 C ATOM 489 CD GLN A 766 -18.743 -33.915 17.395 1.00 22.31 C ATOM 490 OE1 GLN A 766 -18.975 -33.732 18.592 1.00 63.35 O ATOM 491 NE2 GLN A 766 -19.294 -34.906 16.703 1.00 2.42 N ATOM 0 H GLN A 766 -14.049 -32.817 17.660 1.00 41.21 H new ATOM 0 HA GLN A 766 -15.688 -31.858 15.603 1.00 65.23 H new ATOM 0 HB2 GLN A 766 -15.970 -33.709 17.489 1.00 25.43 H new ATOM 0 HB3 GLN A 766 -16.720 -32.400 18.381 1.00 25.43 H new ATOM 0 HG2 GLN A 766 -18.293 -32.048 16.454 1.00 12.31 H new ATOM 0 HG3 GLN A 766 -17.584 -33.441 15.661 1.00 12.31 H new ATOM 0 HE21 GLN A 766 -19.074 -35.021 15.714 1.00 2.42 H new ATOM 0 HE22 GLN A 766 -19.937 -35.552 17.161 1.00 2.42 H new ATOM 500 N LEU A 767 -15.186 -29.757 17.994 1.00 74.22 N ATOM 501 CA LEU A 767 -15.444 -28.400 18.462 1.00 51.13 C ATOM 502 C LEU A 767 -15.633 -27.446 17.286 1.00 30.11 C ATOM 503 O LEU A 767 -16.602 -26.688 17.238 1.00 20.34 O ATOM 504 CB LEU A 767 -14.294 -27.916 19.346 1.00 40.31 C ATOM 505 CG LEU A 767 -14.649 -26.856 20.390 1.00 72.44 C ATOM 506 CD1 LEU A 767 -15.126 -25.580 19.714 1.00 72.21 C ATOM 507 CD2 LEU A 767 -15.709 -27.384 21.345 1.00 12.30 C ATOM 0 H LEU A 767 -14.378 -30.205 18.426 1.00 74.22 H new ATOM 0 HA LEU A 767 -16.363 -28.413 19.048 1.00 51.13 H new ATOM 0 HB2 LEU A 767 -13.872 -28.778 19.862 1.00 40.31 H new ATOM 0 HB3 LEU A 767 -13.511 -27.515 18.702 1.00 40.31 H new ATOM 0 HG LEU A 767 -13.752 -26.624 20.965 1.00 72.44 H new ATOM 0 HD11 LEU A 767 -15.374 -24.837 20.472 1.00 72.21 H new ATOM 0 HD12 LEU A 767 -14.336 -25.192 19.071 1.00 72.21 H new ATOM 0 HD13 LEU A 767 -16.010 -25.795 19.114 1.00 72.21 H new ATOM 0 HD21 LEU A 767 -15.950 -26.617 22.081 1.00 12.30 H new ATOM 0 HD22 LEU A 767 -16.607 -27.644 20.784 1.00 12.30 H new ATOM 0 HD23 LEU A 767 -15.331 -28.270 21.855 1.00 12.30 H new ATOM 519 N GLN A 768 -14.701 -27.490 16.339 1.00 75.42 N ATOM 520 CA GLN A 768 -14.766 -26.631 15.163 1.00 30.41 C ATOM 521 C GLN A 768 -15.501 -27.326 14.021 1.00 25.23 C ATOM 522 O GLN A 768 -15.854 -26.698 13.023 1.00 3.30 O ATOM 523 CB GLN A 768 -13.358 -26.237 14.714 1.00 31.33 C ATOM 524 CG GLN A 768 -12.600 -27.363 14.029 1.00 1.34 C ATOM 525 CD GLN A 768 -12.862 -27.420 12.538 1.00 44.33 C ATOM 526 OE1 GLN A 768 -13.294 -28.445 12.010 1.00 51.42 O ATOM 527 NE2 GLN A 768 -12.602 -26.315 11.849 1.00 54.45 N ATOM 0 H GLN A 768 -13.892 -28.111 16.364 1.00 75.42 H new ATOM 0 HA GLN A 768 -15.319 -25.731 15.432 1.00 30.41 H new ATOM 0 HB2 GLN A 768 -13.427 -25.389 14.032 1.00 31.33 H new ATOM 0 HB3 GLN A 768 -12.789 -25.903 15.582 1.00 31.33 H new ATOM 0 HG2 GLN A 768 -11.531 -27.234 14.202 1.00 1.34 H new ATOM 0 HG3 GLN A 768 -12.883 -28.314 14.480 1.00 1.34 H new ATOM 0 HE21 GLN A 768 -12.245 -25.488 12.327 1.00 54.45 H new ATOM 0 HE22 GLN A 768 -12.759 -26.293 10.841 1.00 54.45 H new ATOM 536 N LYS A 769 -15.726 -28.626 14.174 1.00 14.21 N ATOM 537 CA LYS A 769 -16.420 -29.408 13.157 1.00 31.01 C ATOM 538 C LYS A 769 -17.932 -29.314 13.334 1.00 12.52 C ATOM 539 O LYS A 769 -18.695 -29.711 12.455 1.00 41.43 O ATOM 540 CB LYS A 769 -15.978 -30.872 13.221 1.00 53.14 C ATOM 541 CG LYS A 769 -16.021 -31.579 11.877 1.00 51.42 C ATOM 542 CD LYS A 769 -14.901 -31.110 10.964 1.00 51.23 C ATOM 543 CE LYS A 769 -14.821 -31.953 9.701 1.00 63.22 C ATOM 544 NZ LYS A 769 -13.659 -32.885 9.728 1.00 0.23 N1+ ATOM 0 H LYS A 769 -15.438 -29.161 14.993 1.00 14.21 H new ATOM 0 HA LYS A 769 -16.161 -28.998 12.181 1.00 31.01 H new ATOM 0 HB2 LYS A 769 -14.963 -30.920 13.615 1.00 53.14 H new ATOM 0 HB3 LYS A 769 -16.618 -31.406 13.924 1.00 53.14 H new ATOM 0 HG2 LYS A 769 -15.941 -32.655 12.028 1.00 51.42 H new ATOM 0 HG3 LYS A 769 -16.983 -31.395 11.399 1.00 51.42 H new ATOM 0 HD2 LYS A 769 -15.062 -30.066 10.696 1.00 51.23 H new ATOM 0 HD3 LYS A 769 -13.951 -31.160 11.497 1.00 51.23 H new ATOM 0 HE2 LYS A 769 -15.742 -32.524 9.587 1.00 63.22 H new ATOM 0 HE3 LYS A 769 -14.742 -31.299 8.832 1.00 63.22 H new ATOM 0 HZ1 LYS A 769 -13.640 -33.441 8.850 1.00 0.23 H new ATOM 0 HZ2 LYS A 769 -12.778 -32.339 9.811 1.00 0.23 H new ATOM 0 HZ3 LYS A 769 -13.747 -33.526 10.542 1.00 0.23 H new ATOM 558 N TRP A 770 -18.356 -28.784 14.476 1.00 54.23 N ATOM 559 CA TRP A 770 -19.778 -28.637 14.767 1.00 14.53 C ATOM 560 C TRP A 770 -20.525 -28.074 13.563 1.00 10.20 C ATOM 561 O TRP A 770 -20.845 -28.804 12.625 1.00 3.51 O ATOM 562 CB TRP A 770 -19.979 -27.725 15.979 1.00 60.33 C ATOM 563 CG TRP A 770 -19.142 -26.482 15.933 1.00 34.14 C ATOM 564 CD1 TRP A 770 -18.295 -26.101 14.932 1.00 52.33 C ATOM 565 CD2 TRP A 770 -19.071 -25.460 16.932 1.00 5.01 C ATOM 566 NE1 TRP A 770 -17.702 -24.903 15.248 1.00 74.31 N ATOM 567 CE2 TRP A 770 -18.162 -24.488 16.470 1.00 41.23 C ATOM 568 CE3 TRP A 770 -19.688 -25.269 18.171 1.00 32.23 C ATOM 569 CZ2 TRP A 770 -17.855 -23.346 17.205 1.00 1.31 C ATOM 570 CZ3 TRP A 770 -19.382 -24.135 18.900 1.00 74.40 C ATOM 571 CH2 TRP A 770 -18.474 -23.185 18.416 1.00 72.15 C ATOM 0 H TRP A 770 -17.737 -28.449 15.214 1.00 54.23 H new ATOM 0 HA TRP A 770 -20.182 -29.624 14.992 1.00 14.53 H new ATOM 0 HB2 TRP A 770 -21.030 -27.444 16.043 1.00 60.33 H new ATOM 0 HB3 TRP A 770 -19.742 -28.281 16.886 1.00 60.33 H new ATOM 0 HD1 TRP A 770 -18.117 -26.660 14.025 1.00 52.33 H new ATOM 0 HE1 TRP A 770 -17.029 -24.403 14.667 1.00 74.31 H new ATOM 0 HE3 TRP A 770 -20.391 -25.994 18.552 1.00 32.23 H new ATOM 0 HZ2 TRP A 770 -17.154 -22.613 16.833 1.00 1.31 H new ATOM 0 HZ3 TRP A 770 -19.852 -23.979 19.860 1.00 74.40 H new ATOM 0 HH2 TRP A 770 -18.258 -22.309 19.009 1.00 72.15 H new ATOM 582 N GLU A 771 -20.800 -26.775 13.597 1.00 51.52 N ATOM 583 CA GLU A 771 -21.511 -26.116 12.507 1.00 11.20 C ATOM 584 C GLU A 771 -20.812 -26.365 11.174 1.00 64.14 C ATOM 585 O GLU A 771 -21.365 -26.087 10.109 1.00 41.34 O ATOM 586 CB GLU A 771 -21.613 -24.612 12.769 1.00 5.41 C ATOM 587 CG GLU A 771 -23.030 -24.135 13.036 1.00 22.20 C ATOM 588 CD GLU A 771 -23.241 -23.709 14.476 1.00 3.22 C ATOM 589 OE1 GLU A 771 -23.680 -22.560 14.695 1.00 11.02 O ATOM 590 OE2 GLU A 771 -22.965 -24.522 15.383 1.00 55.41 O1- ATOM 0 H GLU A 771 -20.542 -26.158 14.367 1.00 51.52 H new ATOM 0 HA GLU A 771 -22.515 -26.537 12.456 1.00 11.20 H new ATOM 0 HB2 GLU A 771 -20.986 -24.357 13.623 1.00 5.41 H new ATOM 0 HB3 GLU A 771 -21.214 -24.074 11.909 1.00 5.41 H new ATOM 0 HG2 GLU A 771 -23.258 -23.298 12.376 1.00 22.20 H new ATOM 0 HG3 GLU A 771 -23.730 -24.934 12.791 1.00 22.20 H new ATOM 597 N ASP A 772 -19.592 -26.888 11.240 1.00 14.31 N ATOM 598 CA ASP A 772 -18.817 -27.176 10.039 1.00 44.44 C ATOM 599 C ASP A 772 -19.635 -27.996 9.046 1.00 10.43 C ATOM 600 O ASP A 772 -19.362 -27.988 7.846 1.00 22.25 O ATOM 601 CB ASP A 772 -17.533 -27.923 10.401 1.00 41.13 C ATOM 602 CG ASP A 772 -16.453 -27.763 9.350 1.00 45.22 C ATOM 603 OD1 ASP A 772 -16.655 -28.242 8.214 1.00 22.52 O ATOM 604 OD2 ASP A 772 -15.407 -27.157 9.661 1.00 24.32 O1- ATOM 0 H ASP A 772 -19.119 -27.121 12.113 1.00 14.31 H new ATOM 0 HA ASP A 772 -18.556 -26.227 9.570 1.00 44.44 H new ATOM 0 HB2 ASP A 772 -17.161 -27.557 11.358 1.00 41.13 H new ATOM 0 HB3 ASP A 772 -17.756 -28.982 10.530 1.00 41.13 H new ATOM 609 N TRP A 773 -20.638 -28.701 9.555 1.00 13.02 N ATOM 610 CA TRP A 773 -21.497 -29.527 8.714 1.00 64.32 C ATOM 611 C TRP A 773 -22.200 -28.682 7.658 1.00 35.11 C ATOM 612 O TRP A 773 -22.743 -29.209 6.687 1.00 72.32 O ATOM 613 CB TRP A 773 -22.529 -30.262 9.569 1.00 52.30 C ATOM 614 CG TRP A 773 -23.279 -29.359 10.502 1.00 43.21 C ATOM 615 CD1 TRP A 773 -23.916 -28.195 10.181 1.00 63.33 C ATOM 616 CD2 TRP A 773 -23.466 -29.546 11.908 1.00 1.54 C ATOM 617 NE1 TRP A 773 -24.488 -27.647 11.303 1.00 73.11 N ATOM 618 CE2 TRP A 773 -24.227 -28.457 12.376 1.00 42.35 C ATOM 619 CE3 TRP A 773 -23.066 -30.528 12.819 1.00 21.34 C ATOM 620 CZ2 TRP A 773 -24.594 -28.325 13.713 1.00 51.43 C ATOM 621 CZ3 TRP A 773 -23.430 -30.395 14.146 1.00 52.54 C ATOM 622 CH2 TRP A 773 -24.189 -29.300 14.582 1.00 11.33 C ATOM 0 H TRP A 773 -20.877 -28.718 10.546 1.00 13.02 H new ATOM 0 HA TRP A 773 -20.870 -30.260 8.206 1.00 64.32 H new ATOM 0 HB2 TRP A 773 -23.239 -30.767 8.914 1.00 52.30 H new ATOM 0 HB3 TRP A 773 -22.025 -31.035 10.149 1.00 52.30 H new ATOM 0 HD1 TRP A 773 -23.963 -27.768 9.190 1.00 63.33 H new ATOM 0 HE1 TRP A 773 -25.021 -26.778 11.332 1.00 73.11 H new ATOM 0 HE3 TRP A 773 -22.483 -31.376 12.492 1.00 21.34 H new ATOM 0 HZ2 TRP A 773 -25.178 -27.482 14.052 1.00 51.43 H new ATOM 0 HZ3 TRP A 773 -23.125 -31.147 14.858 1.00 52.54 H new ATOM 0 HH2 TRP A 773 -24.459 -29.225 15.625 1.00 11.33 H new ATOM 633 N VAL A 774 -22.187 -27.367 7.853 1.00 40.14 N ATOM 634 CA VAL A 774 -22.824 -26.449 6.916 1.00 4.35 C ATOM 635 C VAL A 774 -22.387 -26.735 5.484 1.00 1.42 C ATOM 636 O VAL A 774 -23.127 -26.478 4.535 1.00 54.13 O ATOM 637 CB VAL A 774 -22.498 -24.983 7.258 1.00 5.43 C ATOM 638 CG1 VAL A 774 -21.036 -24.678 6.965 1.00 61.21 C ATOM 639 CG2 VAL A 774 -23.411 -24.041 6.489 1.00 55.22 C ATOM 0 H VAL A 774 -21.742 -26.914 8.651 1.00 40.14 H new ATOM 0 HA VAL A 774 -23.900 -26.604 7.002 1.00 4.35 H new ATOM 0 HB VAL A 774 -22.670 -24.830 8.323 1.00 5.43 H new ATOM 0 HG11 VAL A 774 -20.825 -23.638 7.213 1.00 61.21 H new ATOM 0 HG12 VAL A 774 -20.401 -25.330 7.565 1.00 61.21 H new ATOM 0 HG13 VAL A 774 -20.834 -24.847 5.907 1.00 61.21 H new ATOM 0 HG21 VAL A 774 -23.167 -23.010 6.743 1.00 55.22 H new ATOM 0 HG22 VAL A 774 -23.273 -24.194 5.419 1.00 55.22 H new ATOM 0 HG23 VAL A 774 -24.449 -24.244 6.754 1.00 55.22 H new ATOM 649 N ARG A 775 -21.178 -27.268 5.335 1.00 1.11 N ATOM 650 CA ARG A 775 -20.642 -27.588 4.018 1.00 65.23 C ATOM 651 C ARG A 775 -21.601 -28.486 3.243 1.00 54.02 C ATOM 652 O ARG A 775 -21.623 -28.473 2.013 1.00 42.45 O ATOM 653 CB ARG A 775 -19.280 -28.274 4.151 1.00 52.10 C ATOM 654 CG ARG A 775 -18.185 -27.358 4.672 1.00 13.45 C ATOM 655 CD ARG A 775 -17.420 -26.701 3.534 1.00 52.11 C ATOM 656 NE ARG A 775 -16.590 -27.659 2.807 1.00 34.04 N ATOM 657 CZ ARG A 775 -15.613 -27.307 1.981 1.00 3.13 C ATOM 658 NH1 ARG A 775 -15.343 -26.025 1.777 1.00 4.03 N ATOM 659 NH2 ARG A 775 -14.902 -28.237 1.356 1.00 2.03 N1+ ATOM 0 H ARG A 775 -20.552 -27.487 6.110 1.00 1.11 H new ATOM 0 HA ARG A 775 -20.520 -26.655 3.467 1.00 65.23 H new ATOM 0 HB2 ARG A 775 -19.377 -29.128 4.821 1.00 52.10 H new ATOM 0 HB3 ARG A 775 -18.983 -28.665 3.178 1.00 52.10 H new ATOM 0 HG2 ARG A 775 -18.624 -26.589 5.308 1.00 13.45 H new ATOM 0 HG3 ARG A 775 -17.495 -27.930 5.293 1.00 13.45 H new ATOM 0 HD2 ARG A 775 -18.125 -26.236 2.845 1.00 52.11 H new ATOM 0 HD3 ARG A 775 -16.791 -25.905 3.932 1.00 52.11 H new ATOM 0 HE ARG A 775 -16.772 -28.654 2.942 1.00 34.04 H new ATOM 0 HH11 ARG A 775 -15.887 -25.307 2.256 1.00 4.03 H new ATOM 0 HH12 ARG A 775 -14.591 -25.757 1.142 1.00 4.03 H new ATOM 0 HH21 ARG A 775 -15.106 -29.224 1.510 1.00 2.03 H new ATOM 0 HH22 ARG A 775 -14.151 -27.964 0.721 1.00 2.03 H new ATOM 673 N TRP A 776 -22.393 -29.265 3.972 1.00 10.54 N ATOM 674 CA TRP A 776 -23.355 -30.169 3.354 1.00 75.55 C ATOM 675 C TRP A 776 -24.352 -29.399 2.495 1.00 13.30 C ATOM 676 O TRP A 776 -24.763 -29.867 1.433 1.00 61.52 O ATOM 677 CB TRP A 776 -24.098 -30.969 4.425 1.00 24.15 C ATOM 678 CG TRP A 776 -25.486 -31.360 4.019 1.00 22.55 C ATOM 679 CD1 TRP A 776 -25.839 -32.161 2.971 1.00 30.31 C ATOM 680 CD2 TRP A 776 -26.708 -30.967 4.655 1.00 24.41 C ATOM 681 NE1 TRP A 776 -27.206 -32.289 2.915 1.00 23.44 N ATOM 682 CE2 TRP A 776 -27.761 -31.567 3.938 1.00 34.22 C ATOM 683 CE3 TRP A 776 -27.013 -30.169 5.761 1.00 54.02 C ATOM 684 CZ2 TRP A 776 -29.096 -31.392 4.292 1.00 0.11 C ATOM 685 CZ3 TRP A 776 -28.339 -29.995 6.111 1.00 22.42 C ATOM 686 CH2 TRP A 776 -29.367 -30.604 5.379 1.00 73.31 C ATOM 0 H TRP A 776 -22.387 -29.288 4.992 1.00 10.54 H new ATOM 0 HA TRP A 776 -22.806 -30.858 2.712 1.00 75.55 H new ATOM 0 HB2 TRP A 776 -23.528 -31.869 4.657 1.00 24.15 H new ATOM 0 HB3 TRP A 776 -24.148 -30.379 5.340 1.00 24.15 H new ATOM 0 HD1 TRP A 776 -25.145 -32.626 2.286 1.00 30.31 H new ATOM 0 HE1 TRP A 776 -27.723 -32.833 2.224 1.00 23.44 H new ATOM 0 HE3 TRP A 776 -26.227 -29.697 6.332 1.00 54.02 H new ATOM 0 HZ2 TRP A 776 -29.890 -31.861 3.729 1.00 0.11 H new ATOM 0 HZ3 TRP A 776 -28.587 -29.379 6.963 1.00 22.42 H new ATOM 0 HH2 TRP A 776 -30.393 -30.449 5.678 1.00 73.31 H new ATOM 697 N ILE A 777 -24.739 -28.216 2.961 1.00 44.01 N ATOM 698 CA ILE A 777 -25.688 -27.382 2.234 1.00 21.10 C ATOM 699 C ILE A 777 -25.090 -26.013 1.924 1.00 33.21 C ATOM 700 O ILE A 777 -25.806 -25.015 1.850 1.00 5.52 O ATOM 701 CB ILE A 777 -26.993 -27.192 3.028 1.00 11.22 C ATOM 702 CG1 ILE A 777 -26.684 -26.825 4.481 1.00 22.31 C ATOM 703 CG2 ILE A 777 -27.841 -28.454 2.963 1.00 12.43 C ATOM 704 CD1 ILE A 777 -27.448 -25.617 4.975 1.00 51.53 C ATOM 0 H ILE A 777 -24.410 -27.814 3.839 1.00 44.01 H new ATOM 0 HA ILE A 777 -25.913 -27.898 1.301 1.00 21.10 H new ATOM 0 HB ILE A 777 -27.558 -26.375 2.580 1.00 11.22 H new ATOM 0 HG12 ILE A 777 -26.916 -27.677 5.120 1.00 22.31 H new ATOM 0 HG13 ILE A 777 -25.615 -26.634 4.580 1.00 22.31 H new ATOM 0 HG21 ILE A 777 -28.760 -28.304 3.529 1.00 12.43 H new ATOM 0 HG22 ILE A 777 -28.086 -28.674 1.924 1.00 12.43 H new ATOM 0 HG23 ILE A 777 -27.284 -29.289 3.389 1.00 12.43 H new ATOM 0 HD11 ILE A 777 -27.179 -25.415 6.012 1.00 51.53 H new ATOM 0 HD12 ILE A 777 -27.198 -24.752 4.361 1.00 51.53 H new ATOM 0 HD13 ILE A 777 -28.518 -25.812 4.909 1.00 51.53 H new ATOM 716 N GLY A 778 -23.774 -25.975 1.743 1.00 72.34 N ATOM 717 CA GLY A 778 -23.102 -24.725 1.440 1.00 15.14 C ATOM 718 C GLY A 778 -23.021 -24.455 -0.049 1.00 31.01 C ATOM 719 O GLY A 778 -21.967 -24.080 -0.562 1.00 53.42 O ATOM 0 H GLY A 778 -23.161 -26.788 1.801 1.00 72.34 H new ATOM 0 HA2 GLY A 778 -23.631 -23.905 1.926 1.00 15.14 H new ATOM 0 HA3 GLY A 778 -22.095 -24.747 1.857 1.00 15.14 H new ATOM 723 N ASN A 779 -24.136 -24.650 -0.746 1.00 41.50 N ATOM 724 CA ASN A 779 -24.185 -24.427 -2.186 1.00 71.41 C ATOM 725 C ASN A 779 -25.437 -23.646 -2.574 1.00 62.43 C ATOM 726 O ASN A 779 -25.587 -23.223 -3.721 1.00 21.44 O ATOM 727 CB ASN A 779 -24.152 -25.763 -2.932 1.00 35.45 C ATOM 728 CG ASN A 779 -23.112 -26.713 -2.370 1.00 52.42 C ATOM 729 OD1 ASN A 779 -23.435 -27.634 -1.619 1.00 52.53 O ATOM 730 ND2 ASN A 779 -21.853 -26.493 -2.733 1.00 54.34 N ATOM 0 H ASN A 779 -25.017 -24.962 -0.337 1.00 41.50 H new ATOM 0 HA ASN A 779 -23.311 -23.840 -2.467 1.00 71.41 H new ATOM 0 HB2 ASN A 779 -25.135 -26.231 -2.877 1.00 35.45 H new ATOM 0 HB3 ASN A 779 -23.943 -25.582 -3.986 1.00 35.45 H new ATOM 0 HD21 ASN A 779 -21.109 -27.099 -2.387 1.00 54.34 H new ATOM 0 HD22 ASN A 779 -21.630 -25.718 -3.357 1.00 54.34 H new ATOM 737 N ILE A 780 -26.333 -23.458 -1.611 1.00 22.25 N ATOM 738 CA ILE A 780 -27.570 -22.727 -1.850 1.00 53.11 C ATOM 739 C ILE A 780 -27.305 -21.430 -2.607 1.00 1.23 C ATOM 740 O ILE A 780 -26.189 -20.909 -2.623 1.00 31.43 O ATOM 741 CB ILE A 780 -28.295 -22.401 -0.532 1.00 0.34 C ATOM 742 CG1 ILE A 780 -29.690 -23.029 -0.521 1.00 71.31 C ATOM 743 CG2 ILE A 780 -28.386 -20.894 -0.336 1.00 1.02 C ATOM 744 CD1 ILE A 780 -29.876 -24.071 0.560 1.00 70.13 C ATOM 0 H ILE A 780 -26.225 -23.802 -0.657 1.00 22.25 H new ATOM 0 HA ILE A 780 -28.207 -23.373 -2.454 1.00 53.11 H new ATOM 0 HB ILE A 780 -27.721 -22.822 0.294 1.00 0.34 H new ATOM 0 HG12 ILE A 780 -30.433 -22.242 -0.387 1.00 71.31 H new ATOM 0 HG13 ILE A 780 -29.881 -23.486 -1.492 1.00 71.31 H new ATOM 0 HG21 ILE A 780 -28.901 -20.679 0.600 1.00 1.02 H new ATOM 0 HG22 ILE A 780 -27.382 -20.470 -0.303 1.00 1.02 H new ATOM 0 HG23 ILE A 780 -28.940 -20.452 -1.164 1.00 1.02 H new ATOM 0 HD11 ILE A 780 -30.888 -24.473 0.508 1.00 70.13 H new ATOM 0 HD12 ILE A 780 -29.157 -24.878 0.415 1.00 70.13 H new ATOM 0 HD13 ILE A 780 -29.717 -23.614 1.537 1.00 70.13 H new ATOM 756 N PRO A 781 -28.353 -20.893 -3.247 1.00 35.25 N ATOM 757 CA PRO A 781 -28.260 -19.649 -4.015 1.00 4.31 C ATOM 758 C PRO A 781 -28.057 -18.430 -3.122 1.00 14.55 C ATOM 759 O PRO A 781 -28.550 -17.342 -3.419 1.00 52.21 O ATOM 760 CB PRO A 781 -29.612 -19.569 -4.729 1.00 24.00 C ATOM 761 CG PRO A 781 -30.540 -20.357 -3.871 1.00 21.34 C ATOM 762 CD PRO A 781 -29.713 -21.460 -3.270 1.00 72.22 C ATOM 0 HA PRO A 781 -27.405 -19.652 -4.691 1.00 4.31 H new ATOM 0 HB2 PRO A 781 -29.946 -18.536 -4.829 1.00 24.00 H new ATOM 0 HB3 PRO A 781 -29.554 -19.985 -5.735 1.00 24.00 H new ATOM 0 HG2 PRO A 781 -30.979 -19.731 -3.094 1.00 21.34 H new ATOM 0 HG3 PRO A 781 -31.364 -20.763 -4.458 1.00 21.34 H new ATOM 0 HD2 PRO A 781 -30.057 -21.720 -2.269 1.00 72.22 H new ATOM 0 HD3 PRO A 781 -29.759 -22.369 -3.869 1.00 72.22 H new ATOM 770 N GLN A 782 -27.329 -18.619 -2.026 1.00 34.51 N ATOM 771 CA GLN A 782 -27.062 -17.535 -1.090 1.00 11.45 C ATOM 772 C GLN A 782 -25.872 -16.698 -1.549 1.00 60.23 C ATOM 773 O GLN A 782 -25.726 -15.540 -1.157 1.00 53.03 O ATOM 774 CB GLN A 782 -26.796 -18.093 0.309 1.00 31.12 C ATOM 775 CG GLN A 782 -26.579 -17.019 1.363 1.00 73.11 C ATOM 776 CD GLN A 782 -27.484 -17.192 2.568 1.00 33.22 C ATOM 777 OE1 GLN A 782 -28.314 -16.332 2.864 1.00 24.54 O ATOM 778 NE2 GLN A 782 -27.329 -18.309 3.269 1.00 24.34 N ATOM 0 H GLN A 782 -26.914 -19.513 -1.765 1.00 34.51 H new ATOM 0 HA GLN A 782 -27.943 -16.894 -1.057 1.00 11.45 H new ATOM 0 HB2 GLN A 782 -27.638 -18.718 0.608 1.00 31.12 H new ATOM 0 HB3 GLN A 782 -25.917 -18.737 0.273 1.00 31.12 H new ATOM 0 HG2 GLN A 782 -25.539 -17.040 1.689 1.00 73.11 H new ATOM 0 HG3 GLN A 782 -26.755 -16.039 0.919 1.00 73.11 H new ATOM 0 HE21 GLN A 782 -26.628 -18.995 2.987 1.00 24.34 H new ATOM 0 HE22 GLN A 782 -27.911 -18.481 4.089 1.00 24.34 H new ATOM 787 N TYR A 783 -25.026 -17.292 -2.383 1.00 21.52 N ATOM 788 CA TYR A 783 -23.847 -16.603 -2.895 1.00 11.12 C ATOM 789 C TYR A 783 -24.241 -15.511 -3.885 1.00 24.23 C ATOM 790 O TYR A 783 -23.679 -14.414 -3.875 1.00 33.53 O ATOM 791 CB TYR A 783 -22.899 -17.598 -3.565 1.00 73.24 C ATOM 792 CG TYR A 783 -21.873 -16.946 -4.464 1.00 53.44 C ATOM 793 CD1 TYR A 783 -22.123 -16.762 -5.819 1.00 12.44 C ATOM 794 CD2 TYR A 783 -20.653 -16.514 -3.959 1.00 70.23 C ATOM 795 CE1 TYR A 783 -21.188 -16.167 -6.644 1.00 54.30 C ATOM 796 CE2 TYR A 783 -19.712 -15.917 -4.776 1.00 72.22 C ATOM 797 CZ TYR A 783 -19.985 -15.746 -6.118 1.00 63.21 C ATOM 798 OH TYR A 783 -19.050 -15.152 -6.935 1.00 72.11 O ATOM 0 H TYR A 783 -25.134 -18.249 -2.719 1.00 21.52 H new ATOM 0 HA TYR A 783 -23.336 -16.137 -2.053 1.00 11.12 H new ATOM 0 HB2 TYR A 783 -22.383 -18.171 -2.794 1.00 73.24 H new ATOM 0 HB3 TYR A 783 -23.484 -18.307 -4.150 1.00 73.24 H new ATOM 0 HD1 TYR A 783 -23.065 -17.090 -6.234 1.00 12.44 H new ATOM 0 HD2 TYR A 783 -20.436 -16.647 -2.909 1.00 70.23 H new ATOM 0 HE1 TYR A 783 -21.398 -16.032 -7.695 1.00 54.30 H new ATOM 0 HE2 TYR A 783 -18.769 -15.586 -4.367 1.00 72.22 H new ATOM 0 HH TYR A 783 -18.259 -14.914 -6.408 1.00 72.11 H new ATOM 808 N LEU A 784 -25.210 -15.819 -4.738 1.00 55.32 N ATOM 809 CA LEU A 784 -25.683 -14.865 -5.736 1.00 64.41 C ATOM 810 C LEU A 784 -26.767 -13.961 -5.156 1.00 63.23 C ATOM 811 O LEU A 784 -26.794 -12.758 -5.420 1.00 32.44 O ATOM 812 CB LEU A 784 -26.222 -15.604 -6.962 1.00 63.44 C ATOM 813 CG LEU A 784 -26.120 -14.859 -8.293 1.00 52.45 C ATOM 814 CD1 LEU A 784 -26.848 -13.525 -8.215 1.00 62.24 C ATOM 815 CD2 LEU A 784 -24.663 -14.652 -8.679 1.00 22.34 C ATOM 0 H LEU A 784 -25.684 -16.722 -4.760 1.00 55.32 H new ATOM 0 HA LEU A 784 -24.839 -14.243 -6.036 1.00 64.41 H new ATOM 0 HB2 LEU A 784 -25.687 -16.549 -7.056 1.00 63.44 H new ATOM 0 HB3 LEU A 784 -27.270 -15.847 -6.784 1.00 63.44 H new ATOM 0 HG LEU A 784 -26.596 -15.465 -9.064 1.00 52.45 H new ATOM 0 HD11 LEU A 784 -26.765 -13.009 -9.171 1.00 62.24 H new ATOM 0 HD12 LEU A 784 -27.900 -13.697 -7.986 1.00 62.24 H new ATOM 0 HD13 LEU A 784 -26.402 -12.912 -7.432 1.00 62.24 H new ATOM 0 HD21 LEU A 784 -24.610 -14.120 -9.629 1.00 22.34 H new ATOM 0 HD22 LEU A 784 -24.162 -14.067 -7.908 1.00 22.34 H new ATOM 0 HD23 LEU A 784 -24.172 -15.620 -8.777 1.00 22.34 H new ATOM 827 N LYS A 785 -27.656 -14.547 -4.363 1.00 20.54 N ATOM 828 CA LYS A 785 -28.740 -13.796 -3.741 1.00 72.20 C ATOM 829 C LYS A 785 -29.674 -13.214 -4.797 1.00 63.23 C ATOM 830 O LYS A 785 -29.367 -12.196 -5.416 1.00 13.41 O ATOM 831 CB LYS A 785 -28.175 -12.673 -2.870 1.00 4.21 C ATOM 832 CG LYS A 785 -28.692 -12.692 -1.441 1.00 24.20 C ATOM 833 CD LYS A 785 -27.913 -13.672 -0.580 1.00 32.31 C ATOM 834 CE LYS A 785 -28.214 -13.478 0.898 1.00 72.02 C ATOM 835 NZ LYS A 785 -29.676 -13.536 1.178 1.00 42.32 N1+ ATOM 0 H LYS A 785 -27.648 -15.541 -4.135 1.00 20.54 H new ATOM 0 HA LYS A 785 -29.311 -14.481 -3.114 1.00 72.20 H new ATOM 0 HB2 LYS A 785 -27.088 -12.748 -2.855 1.00 4.21 H new ATOM 0 HB3 LYS A 785 -28.422 -11.713 -3.324 1.00 4.21 H new ATOM 0 HG2 LYS A 785 -28.619 -11.692 -1.013 1.00 24.20 H new ATOM 0 HG3 LYS A 785 -29.748 -12.963 -1.438 1.00 24.20 H new ATOM 0 HD2 LYS A 785 -28.162 -14.692 -0.872 1.00 32.31 H new ATOM 0 HD3 LYS A 785 -26.845 -13.542 -0.755 1.00 32.31 H new ATOM 0 HE2 LYS A 785 -27.702 -14.247 1.477 1.00 72.02 H new ATOM 0 HE3 LYS A 785 -27.819 -12.516 1.226 1.00 72.02 H new ATOM 0 HZ1 LYS A 785 -29.832 -13.553 2.206 1.00 42.32 H new ATOM 0 HZ2 LYS A 785 -30.141 -12.700 0.771 1.00 42.32 H new ATOM 0 HZ3 LYS A 785 -30.077 -14.396 0.753 1.00 42.32 H new