USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 433 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 756 ASN : amide:sc= -0.0706 K(o=-0.78,f=-3.3!) USER MOD Set 1.2: A 768 GLN : amide:sc= -0.706 K(o=-0.78,f=-2.7) USER MOD Single : A 738 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 739 THR OG1 : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 743 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.0055) USER MOD Single : A 744 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.4) 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= -0.289 K(o=-0.29,f=-1.2) USER MOD Single : A 757 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 765 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 766 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.01) USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 782 GLN : amide:sc= -0.727 K(o=-0.73,f=-2.8!) USER MOD Single : A 783 TYR OH : rot 180:sc= 0 USER MOD Single : A 785 LYS NZ :NH3+ 174:sc= 0.529 (180deg=0.504) USER MOD Single : A 786 MET CE :methyl 148:sc= -0.251 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 737 -3.437 4.365 9.822 1.00 24.42 N1+ ATOM 2 CA LEU A 737 -4.884 4.189 9.836 1.00 11.14 C ATOM 3 C LEU A 737 -5.329 3.239 8.729 1.00 23.03 C ATOM 4 O LEU A 737 -6.133 3.603 7.872 1.00 0.42 O ATOM 5 CB LEU A 737 -5.583 5.539 9.676 1.00 53.54 C ATOM 6 CG LEU A 737 -5.120 6.651 10.618 1.00 10.21 C ATOM 7 CD1 LEU A 737 -5.343 8.016 9.985 1.00 72.43 C ATOM 8 CD2 LEU A 737 -5.847 6.556 11.953 1.00 52.12 C ATOM 0 HA LEU A 737 -5.162 3.754 10.796 1.00 11.14 H new ATOM 0 HB2 LEU A 737 -5.443 5.878 8.650 1.00 53.54 H new ATOM 0 HB3 LEU A 737 -6.653 5.391 9.820 1.00 53.54 H new ATOM 0 HG LEU A 737 -4.052 6.527 10.797 1.00 10.21 H new ATOM 0 HD11 LEU A 737 -5.007 8.794 10.671 1.00 72.43 H new ATOM 0 HD12 LEU A 737 -4.778 8.083 9.055 1.00 72.43 H new ATOM 0 HD13 LEU A 737 -6.404 8.151 9.775 1.00 72.43 H new ATOM 0 HD21 LEU A 737 -5.505 7.355 12.611 1.00 52.12 H new ATOM 0 HD22 LEU A 737 -6.920 6.654 11.791 1.00 52.12 H new ATOM 0 HD23 LEU A 737 -5.636 5.591 12.414 1.00 52.12 H new ATOM 20 N GLN A 738 -4.802 2.018 8.757 1.00 43.22 N ATOM 21 CA GLN A 738 -5.146 1.016 7.755 1.00 14.24 C ATOM 22 C GLN A 738 -4.519 -0.332 8.098 1.00 74.23 C ATOM 23 O GLN A 738 -5.182 -1.369 8.044 1.00 42.21 O ATOM 24 CB GLN A 738 -4.685 1.470 6.369 1.00 21.42 C ATOM 25 CG GLN A 738 -3.222 1.881 6.319 1.00 34.34 C ATOM 26 CD GLN A 738 -2.851 2.557 5.014 1.00 31.13 C ATOM 27 OE1 GLN A 738 -2.810 1.919 3.961 1.00 11.42 O ATOM 28 NE2 GLN A 738 -2.579 3.855 5.075 1.00 24.50 N ATOM 0 H GLN A 738 -4.137 1.700 9.461 1.00 43.22 H new ATOM 0 HA GLN A 738 -6.230 0.901 7.748 1.00 14.24 H new ATOM 0 HB2 GLN A 738 -4.851 0.662 5.657 1.00 21.42 H new ATOM 0 HB3 GLN A 738 -5.301 2.310 6.047 1.00 21.42 H new ATOM 0 HG2 GLN A 738 -3.010 2.557 7.147 1.00 34.34 H new ATOM 0 HG3 GLN A 738 -2.596 1.000 6.458 1.00 34.34 H new ATOM 0 HE21 GLN A 738 -2.625 4.344 5.969 1.00 24.50 H new ATOM 0 HE22 GLN A 738 -2.324 4.363 4.228 1.00 24.50 H new ATOM 37 N THR A 739 -3.238 -0.311 8.449 1.00 11.11 N ATOM 38 CA THR A 739 -2.521 -1.531 8.798 1.00 44.44 C ATOM 39 C THR A 739 -3.168 -2.226 9.990 1.00 20.03 C ATOM 40 O THR A 739 -2.947 -3.415 10.224 1.00 34.41 O ATOM 41 CB THR A 739 -1.044 -1.240 9.127 1.00 72.14 C ATOM 42 OG1 THR A 739 -0.455 -0.458 8.082 1.00 23.44 O ATOM 43 CG2 THR A 739 -0.264 -2.535 9.300 1.00 53.24 C ATOM 0 H THR A 739 -2.675 0.538 8.499 1.00 11.11 H new ATOM 0 HA THR A 739 -2.569 -2.186 7.928 1.00 44.44 H new ATOM 0 HB THR A 739 -1.005 -0.683 10.063 1.00 72.14 H new ATOM 0 HG1 THR A 739 0.483 -0.276 8.299 1.00 23.44 H new ATOM 0 HG21 THR A 739 0.776 -2.305 9.532 1.00 53.24 H new ATOM 0 HG22 THR A 739 -0.698 -3.115 10.115 1.00 53.24 H new ATOM 0 HG23 THR A 739 -0.311 -3.114 8.378 1.00 53.24 H new ATOM 51 N LYS A 740 -3.968 -1.480 10.743 1.00 42.34 N ATOM 52 CA LYS A 740 -4.650 -2.024 11.911 1.00 24.05 C ATOM 53 C LYS A 740 -5.936 -2.737 11.507 1.00 60.24 C ATOM 54 O LYS A 740 -6.110 -3.925 11.780 1.00 42.24 O ATOM 55 CB LYS A 740 -4.965 -0.908 12.910 1.00 25.33 C ATOM 56 CG LYS A 740 -3.880 -0.702 13.954 1.00 55.13 C ATOM 57 CD LYS A 740 -2.729 0.126 13.407 1.00 54.13 C ATOM 58 CE LYS A 740 -2.918 1.606 13.706 1.00 72.42 C ATOM 59 NZ LYS A 740 -1.999 2.456 12.900 1.00 64.42 N1+ ATOM 0 H LYS A 740 -4.161 -0.494 10.565 1.00 42.34 H new ATOM 0 HA LYS A 740 -3.986 -2.749 12.383 1.00 24.05 H new ATOM 0 HB2 LYS A 740 -5.115 0.024 12.365 1.00 25.33 H new ATOM 0 HB3 LYS A 740 -5.904 -1.137 13.414 1.00 25.33 H new ATOM 0 HG2 LYS A 740 -4.304 -0.206 14.827 1.00 55.13 H new ATOM 0 HG3 LYS A 740 -3.506 -1.670 14.288 1.00 55.13 H new ATOM 0 HD2 LYS A 740 -1.792 -0.218 13.844 1.00 54.13 H new ATOM 0 HD3 LYS A 740 -2.652 -0.022 12.330 1.00 54.13 H new ATOM 0 HE2 LYS A 740 -3.950 1.889 13.499 1.00 72.42 H new ATOM 0 HE3 LYS A 740 -2.744 1.787 14.767 1.00 72.42 H new ATOM 0 HZ1 LYS A 740 -2.159 3.457 13.132 1.00 64.42 H new ATOM 0 HZ2 LYS A 740 -1.014 2.203 13.116 1.00 64.42 H new ATOM 0 HZ3 LYS A 740 -2.182 2.302 11.888 1.00 64.42 H new ATOM 73 N ASP A 741 -6.833 -2.004 10.856 1.00 23.52 N ATOM 74 CA ASP A 741 -8.103 -2.568 10.412 1.00 64.24 C ATOM 75 C ASP A 741 -7.883 -3.604 9.313 1.00 74.21 C ATOM 76 O ASP A 741 -8.325 -4.748 9.427 1.00 53.34 O ATOM 77 CB ASP A 741 -9.028 -1.460 9.908 1.00 34.31 C ATOM 78 CG ASP A 741 -8.313 -0.476 9.003 1.00 52.33 C ATOM 79 OD1 ASP A 741 -8.408 -0.627 7.767 1.00 12.33 O ATOM 80 OD2 ASP A 741 -7.659 0.448 9.532 1.00 73.02 O1- ATOM 0 H ASP A 741 -6.705 -1.019 10.624 1.00 23.52 H new ATOM 0 HA ASP A 741 -8.571 -3.062 11.263 1.00 64.24 H new ATOM 0 HB2 ASP A 741 -9.863 -1.906 9.367 1.00 34.31 H new ATOM 0 HB3 ASP A 741 -9.448 -0.926 10.760 1.00 34.31 H new ATOM 85 N LEU A 742 -7.199 -3.196 8.250 1.00 13.42 N ATOM 86 CA LEU A 742 -6.921 -4.087 7.129 1.00 11.44 C ATOM 87 C LEU A 742 -6.400 -5.434 7.622 1.00 54.45 C ATOM 88 O LEU A 742 -6.817 -6.485 7.137 1.00 14.33 O ATOM 89 CB LEU A 742 -5.903 -3.448 6.184 1.00 13.12 C ATOM 90 CG LEU A 742 -5.876 -3.997 4.757 1.00 52.33 C ATOM 91 CD1 LEU A 742 -6.836 -3.221 3.868 1.00 71.01 C ATOM 92 CD2 LEU A 742 -4.464 -3.946 4.193 1.00 61.23 C ATOM 0 H LEU A 742 -6.826 -2.253 8.141 1.00 13.42 H new ATOM 0 HA LEU A 742 -7.853 -4.254 6.589 1.00 11.44 H new ATOM 0 HB2 LEU A 742 -6.103 -2.378 6.137 1.00 13.12 H new ATOM 0 HB3 LEU A 742 -4.910 -3.568 6.617 1.00 13.12 H new ATOM 0 HG LEU A 742 -6.198 -5.038 4.782 1.00 52.33 H new ATOM 0 HD11 LEU A 742 -6.803 -3.626 2.857 1.00 71.01 H new ATOM 0 HD12 LEU A 742 -7.849 -3.310 4.262 1.00 71.01 H new ATOM 0 HD13 LEU A 742 -6.545 -2.171 3.848 1.00 71.01 H new ATOM 0 HD21 LEU A 742 -4.464 -4.341 3.177 1.00 61.23 H new ATOM 0 HD22 LEU A 742 -4.114 -2.914 4.182 1.00 61.23 H new ATOM 0 HD23 LEU A 742 -3.801 -4.547 4.816 1.00 61.23 H new ATOM 104 N GLN A 743 -5.488 -5.392 8.588 1.00 53.24 N ATOM 105 CA GLN A 743 -4.911 -6.610 9.145 1.00 10.44 C ATOM 106 C GLN A 743 -5.803 -7.180 10.244 1.00 11.01 C ATOM 107 O GLN A 743 -5.757 -8.376 10.535 1.00 50.43 O ATOM 108 CB GLN A 743 -3.514 -6.329 9.701 1.00 25.14 C ATOM 109 CG GLN A 743 -2.537 -5.811 8.658 1.00 72.14 C ATOM 110 CD GLN A 743 -2.085 -6.890 7.695 1.00 24.21 C ATOM 111 OE1 GLN A 743 -2.184 -6.735 6.478 1.00 43.23 O ATOM 112 NE2 GLN A 743 -1.584 -7.995 8.237 1.00 64.22 N ATOM 0 H GLN A 743 -5.133 -4.529 9.001 1.00 53.24 H new ATOM 0 HA GLN A 743 -4.835 -7.346 8.345 1.00 10.44 H new ATOM 0 HB2 GLN A 743 -3.593 -5.599 10.507 1.00 25.14 H new ATOM 0 HB3 GLN A 743 -3.115 -7.244 10.138 1.00 25.14 H new ATOM 0 HG2 GLN A 743 -3.005 -5.002 8.097 1.00 72.14 H new ATOM 0 HG3 GLN A 743 -1.666 -5.389 9.159 1.00 72.14 H new ATOM 0 HE21 GLN A 743 -1.520 -8.082 9.251 1.00 64.22 H new ATOM 0 HE22 GLN A 743 -1.263 -8.756 7.639 1.00 64.22 H new ATOM 121 N GLN A 744 -6.611 -6.318 10.851 1.00 51.41 N ATOM 122 CA GLN A 744 -7.513 -6.736 11.918 1.00 24.24 C ATOM 123 C GLN A 744 -8.485 -7.801 11.423 1.00 72.42 C ATOM 124 O GLN A 744 -9.070 -8.541 12.214 1.00 41.52 O ATOM 125 CB GLN A 744 -8.287 -5.535 12.462 1.00 51.10 C ATOM 126 CG GLN A 744 -9.476 -5.919 13.328 1.00 3.34 C ATOM 127 CD GLN A 744 -9.080 -6.775 14.516 1.00 54.54 C ATOM 128 OE1 GLN A 744 -7.936 -6.734 14.971 1.00 53.23 O ATOM 129 NE2 GLN A 744 -10.026 -7.555 15.024 1.00 45.04 N ATOM 0 H GLN A 744 -6.660 -5.325 10.622 1.00 51.41 H new ATOM 0 HA GLN A 744 -6.911 -7.164 12.720 1.00 24.24 H new ATOM 0 HB2 GLN A 744 -7.610 -4.911 13.045 1.00 51.10 H new ATOM 0 HB3 GLN A 744 -8.637 -4.930 11.626 1.00 51.10 H new ATOM 0 HG2 GLN A 744 -9.968 -5.014 13.685 1.00 3.34 H new ATOM 0 HG3 GLN A 744 -10.203 -6.459 12.722 1.00 3.34 H new ATOM 0 HE21 GLN A 744 -10.960 -7.556 14.615 1.00 45.04 H new ATOM 0 HE22 GLN A 744 -9.819 -8.153 15.824 1.00 45.04 H new ATOM 138 N LYS A 745 -8.655 -7.873 10.106 1.00 33.42 N ATOM 139 CA LYS A 745 -9.557 -8.849 9.504 1.00 42.21 C ATOM 140 C LYS A 745 -8.852 -10.186 9.297 1.00 53.05 C ATOM 141 O LYS A 745 -9.267 -11.208 9.842 1.00 35.23 O ATOM 142 CB LYS A 745 -10.086 -8.326 8.166 1.00 23.23 C ATOM 143 CG LYS A 745 -10.005 -6.816 8.028 1.00 41.40 C ATOM 144 CD LYS A 745 -10.737 -6.328 6.790 1.00 60.21 C ATOM 145 CE LYS A 745 -10.209 -6.998 5.530 1.00 1.12 C ATOM 146 NZ LYS A 745 -10.114 -6.043 4.392 1.00 43.22 N1+ ATOM 0 H LYS A 745 -8.180 -7.268 9.436 1.00 33.42 H new ATOM 0 HA LYS A 745 -10.395 -9.002 10.185 1.00 42.21 H new ATOM 0 HB2 LYS A 745 -9.521 -8.787 7.356 1.00 23.23 H new ATOM 0 HB3 LYS A 745 -11.124 -8.638 8.048 1.00 23.23 H new ATOM 0 HG2 LYS A 745 -10.433 -6.346 8.913 1.00 41.40 H new ATOM 0 HG3 LYS A 745 -8.960 -6.510 7.978 1.00 41.40 H new ATOM 0 HD2 LYS A 745 -11.803 -6.532 6.892 1.00 60.21 H new ATOM 0 HD3 LYS A 745 -10.626 -5.247 6.703 1.00 60.21 H new ATOM 0 HE2 LYS A 745 -9.226 -7.424 5.730 1.00 1.12 H new ATOM 0 HE3 LYS A 745 -10.865 -7.825 5.256 1.00 1.12 H new ATOM 0 HZ1 LYS A 745 -9.750 -6.538 3.553 1.00 43.22 H new ATOM 0 HZ2 LYS A 745 -11.057 -5.656 4.184 1.00 43.22 H new ATOM 0 HZ3 LYS A 745 -9.469 -5.267 4.643 1.00 43.22 H new ATOM 160 N PHE A 746 -7.784 -10.170 8.506 1.00 61.35 N ATOM 161 CA PHE A 746 -7.022 -11.381 8.227 1.00 72.41 C ATOM 162 C PHE A 746 -6.455 -11.975 9.514 1.00 64.15 C ATOM 163 O PHE A 746 -6.238 -13.183 9.609 1.00 15.24 O ATOM 164 CB PHE A 746 -5.886 -11.080 7.246 1.00 33.32 C ATOM 165 CG PHE A 746 -5.248 -12.314 6.672 1.00 55.34 C ATOM 166 CD1 PHE A 746 -3.915 -12.599 6.918 1.00 15.15 C ATOM 167 CD2 PHE A 746 -5.982 -13.185 5.883 1.00 23.41 C ATOM 168 CE1 PHE A 746 -3.325 -13.732 6.392 1.00 32.21 C ATOM 169 CE2 PHE A 746 -5.397 -14.320 5.354 1.00 72.21 C ATOM 170 CZ PHE A 746 -4.068 -14.594 5.607 1.00 25.31 C ATOM 0 H PHE A 746 -7.427 -9.332 8.047 1.00 61.35 H new ATOM 0 HA PHE A 746 -7.697 -12.110 7.778 1.00 72.41 H new ATOM 0 HB2 PHE A 746 -6.273 -10.468 6.431 1.00 33.32 H new ATOM 0 HB3 PHE A 746 -5.124 -10.489 7.755 1.00 33.32 H new ATOM 0 HD1 PHE A 746 -3.330 -11.927 7.528 1.00 15.15 H new ATOM 0 HD2 PHE A 746 -7.022 -12.975 5.679 1.00 23.41 H new ATOM 0 HE1 PHE A 746 -2.285 -13.944 6.594 1.00 32.21 H new ATOM 0 HE2 PHE A 746 -5.980 -14.993 4.742 1.00 72.21 H new ATOM 0 HZ PHE A 746 -3.610 -15.480 5.193 1.00 25.31 H new ATOM 180 N TYR A 747 -6.215 -11.117 10.498 1.00 62.13 N ATOM 181 CA TYR A 747 -5.669 -11.554 11.777 1.00 14.51 C ATOM 182 C TYR A 747 -6.676 -12.419 12.532 1.00 62.23 C ATOM 183 O TYR A 747 -6.339 -13.053 13.531 1.00 42.50 O ATOM 184 CB TYR A 747 -5.280 -10.345 12.629 1.00 4.23 C ATOM 185 CG TYR A 747 -4.625 -10.715 13.942 1.00 34.01 C ATOM 186 CD1 TYR A 747 -3.387 -11.345 13.969 1.00 42.51 C ATOM 187 CD2 TYR A 747 -5.245 -10.436 15.153 1.00 13.41 C ATOM 188 CE1 TYR A 747 -2.785 -11.685 15.165 1.00 32.13 C ATOM 189 CE2 TYR A 747 -4.651 -10.771 16.354 1.00 22.35 C ATOM 190 CZ TYR A 747 -3.421 -11.396 16.355 1.00 24.41 C ATOM 191 OH TYR A 747 -2.825 -11.733 17.548 1.00 10.44 O ATOM 0 H TYR A 747 -6.390 -10.114 10.435 1.00 62.13 H new ATOM 0 HA TYR A 747 -4.779 -12.152 11.578 1.00 14.51 H new ATOM 0 HB2 TYR A 747 -4.600 -9.713 12.059 1.00 4.23 H new ATOM 0 HB3 TYR A 747 -6.172 -9.752 12.832 1.00 4.23 H new ATOM 0 HD1 TYR A 747 -2.887 -11.573 13.039 1.00 42.51 H new ATOM 0 HD2 TYR A 747 -6.209 -9.948 15.156 1.00 13.41 H new ATOM 0 HE1 TYR A 747 -1.822 -12.174 15.169 1.00 32.13 H new ATOM 0 HE2 TYR A 747 -5.146 -10.545 17.287 1.00 22.35 H new ATOM 0 HH TYR A 747 -3.403 -11.460 18.291 1.00 10.44 H new ATOM 201 N GLU A 748 -7.911 -12.440 12.043 1.00 52.35 N ATOM 202 CA GLU A 748 -8.967 -13.226 12.670 1.00 55.42 C ATOM 203 C GLU A 748 -8.973 -14.655 12.134 1.00 44.23 C ATOM 204 O GLU A 748 -9.412 -15.582 12.815 1.00 1.31 O ATOM 205 CB GLU A 748 -10.330 -12.575 12.429 1.00 55.52 C ATOM 206 CG GLU A 748 -10.334 -11.071 12.646 1.00 43.21 C ATOM 207 CD GLU A 748 -11.437 -10.618 13.583 1.00 4.22 C ATOM 208 OE1 GLU A 748 -11.702 -11.332 14.574 1.00 45.13 O ATOM 209 OE2 GLU A 748 -12.033 -9.553 13.327 1.00 54.30 O1- ATOM 0 H GLU A 748 -8.205 -11.922 11.215 1.00 52.35 H new ATOM 0 HA GLU A 748 -8.772 -13.258 13.742 1.00 55.42 H new ATOM 0 HB2 GLU A 748 -10.649 -12.787 11.409 1.00 55.52 H new ATOM 0 HB3 GLU A 748 -11.064 -13.031 13.094 1.00 55.52 H new ATOM 0 HG2 GLU A 748 -9.370 -10.764 13.051 1.00 43.21 H new ATOM 0 HG3 GLU A 748 -10.450 -10.570 11.685 1.00 43.21 H new ATOM 216 N ILE A 749 -8.482 -14.823 10.911 1.00 70.22 N ATOM 217 CA ILE A 749 -8.430 -16.138 10.284 1.00 41.14 C ATOM 218 C ILE A 749 -7.222 -16.932 10.771 1.00 41.43 C ATOM 219 O ILE A 749 -7.015 -18.076 10.366 1.00 63.31 O ATOM 220 CB ILE A 749 -8.373 -16.028 8.749 1.00 22.11 C ATOM 221 CG1 ILE A 749 -9.372 -14.981 8.253 1.00 3.32 C ATOM 222 CG2 ILE A 749 -8.653 -17.380 8.110 1.00 20.31 C ATOM 223 CD1 ILE A 749 -9.376 -14.814 6.749 1.00 34.11 C ATOM 0 H ILE A 749 -8.115 -14.066 10.335 1.00 70.22 H new ATOM 0 HA ILE A 749 -9.344 -16.660 10.569 1.00 41.14 H new ATOM 0 HB ILE A 749 -7.371 -15.712 8.459 1.00 22.11 H new ATOM 0 HG12 ILE A 749 -10.373 -15.261 8.582 1.00 3.32 H new ATOM 0 HG13 ILE A 749 -9.141 -14.022 8.716 1.00 3.32 H new ATOM 0 HG21 ILE A 749 -8.609 -17.286 7.025 1.00 20.31 H new ATOM 0 HG22 ILE A 749 -7.906 -18.101 8.442 1.00 20.31 H new ATOM 0 HG23 ILE A 749 -9.645 -17.723 8.405 1.00 20.31 H new ATOM 0 HD11 ILE A 749 -10.108 -14.056 6.469 1.00 34.11 H new ATOM 0 HD12 ILE A 749 -8.386 -14.504 6.415 1.00 34.11 H new ATOM 0 HD13 ILE A 749 -9.637 -15.762 6.278 1.00 34.11 H new ATOM 235 N ILE A 750 -6.430 -16.317 11.644 1.00 73.01 N ATOM 236 CA ILE A 750 -5.245 -16.968 12.188 1.00 11.40 C ATOM 237 C ILE A 750 -5.543 -17.609 13.539 1.00 3.33 C ATOM 238 O ILE A 750 -4.940 -18.619 13.905 1.00 1.12 O ATOM 239 CB ILE A 750 -4.081 -15.972 12.350 1.00 42.12 C ATOM 240 CG1 ILE A 750 -3.755 -15.314 11.008 1.00 11.43 C ATOM 241 CG2 ILE A 750 -2.856 -16.678 12.911 1.00 2.31 C ATOM 242 CD1 ILE A 750 -2.765 -14.175 11.119 1.00 42.10 C ATOM 0 H ILE A 750 -6.588 -15.370 11.989 1.00 73.01 H new ATOM 0 HA ILE A 750 -4.954 -17.742 11.477 1.00 11.40 H new ATOM 0 HB ILE A 750 -4.382 -15.194 13.052 1.00 42.12 H new ATOM 0 HG12 ILE A 750 -3.355 -16.068 10.330 1.00 11.43 H new ATOM 0 HG13 ILE A 750 -4.677 -14.941 10.562 1.00 11.43 H new ATOM 0 HG21 ILE A 750 -2.041 -15.962 13.020 1.00 2.31 H new ATOM 0 HG22 ILE A 750 -3.096 -17.105 13.885 1.00 2.31 H new ATOM 0 HG23 ILE A 750 -2.551 -17.473 12.231 1.00 2.31 H new ATOM 0 HD11 ILE A 750 -2.581 -13.756 10.130 1.00 42.10 H new ATOM 0 HD12 ILE A 750 -3.171 -13.402 11.771 1.00 42.10 H new ATOM 0 HD13 ILE A 750 -1.829 -14.546 11.536 1.00 42.10 H new ATOM 254 N LEU A 751 -6.475 -17.016 14.278 1.00 72.25 N ATOM 255 CA LEU A 751 -6.855 -17.530 15.588 1.00 4.14 C ATOM 256 C LEU A 751 -7.932 -18.603 15.462 1.00 1.45 C ATOM 257 O LEU A 751 -8.091 -19.444 16.347 1.00 22.52 O ATOM 258 CB LEU A 751 -7.354 -16.391 16.479 1.00 35.54 C ATOM 259 CG LEU A 751 -8.035 -16.810 17.783 1.00 14.40 C ATOM 260 CD1 LEU A 751 -7.522 -15.973 18.945 1.00 24.21 C ATOM 261 CD2 LEU A 751 -9.547 -16.682 17.660 1.00 75.01 C ATOM 0 H LEU A 751 -6.981 -16.178 13.991 1.00 72.25 H new ATOM 0 HA LEU A 751 -5.973 -17.980 16.044 1.00 4.14 H new ATOM 0 HB2 LEU A 751 -6.507 -15.750 16.724 1.00 35.54 H new ATOM 0 HB3 LEU A 751 -8.055 -15.787 15.904 1.00 35.54 H new ATOM 0 HG LEU A 751 -7.793 -17.855 17.978 1.00 14.40 H new ATOM 0 HD11 LEU A 751 -8.017 -16.285 19.865 1.00 24.21 H new ATOM 0 HD12 LEU A 751 -6.446 -16.113 19.047 1.00 24.21 H new ATOM 0 HD13 LEU A 751 -7.735 -14.921 18.757 1.00 24.21 H new ATOM 0 HD21 LEU A 751 -10.015 -16.984 18.597 1.00 75.01 H new ATOM 0 HD22 LEU A 751 -9.808 -15.646 17.441 1.00 75.01 H new ATOM 0 HD23 LEU A 751 -9.902 -17.324 16.853 1.00 75.01 H new ATOM 273 N ASP A 752 -8.666 -18.568 14.356 1.00 13.13 N ATOM 274 CA ASP A 752 -9.727 -19.540 14.112 1.00 4.33 C ATOM 275 C ASP A 752 -9.170 -20.799 13.457 1.00 23.41 C ATOM 276 O ASP A 752 -9.729 -21.886 13.602 1.00 14.10 O ATOM 277 CB ASP A 752 -10.814 -18.928 13.228 1.00 53.14 C ATOM 278 CG ASP A 752 -11.828 -18.130 14.024 1.00 44.23 C ATOM 279 OD1 ASP A 752 -11.459 -17.057 14.549 1.00 74.35 O ATOM 280 OD2 ASP A 752 -12.990 -18.578 14.123 1.00 44.12 O1- ATOM 0 H ASP A 752 -8.547 -17.878 13.614 1.00 13.13 H new ATOM 0 HA ASP A 752 -10.163 -19.815 15.073 1.00 4.33 H new ATOM 0 HB2 ASP A 752 -10.351 -18.281 12.483 1.00 53.14 H new ATOM 0 HB3 ASP A 752 -11.327 -19.722 12.685 1.00 53.14 H new ATOM 285 N ILE A 753 -8.065 -20.644 12.734 1.00 33.24 N ATOM 286 CA ILE A 753 -7.433 -21.769 12.057 1.00 23.31 C ATOM 287 C ILE A 753 -6.485 -22.513 12.993 1.00 72.41 C ATOM 288 O ILE A 753 -6.268 -23.716 12.844 1.00 52.32 O ATOM 289 CB ILE A 753 -6.649 -21.310 10.812 1.00 53.41 C ATOM 290 CG1 ILE A 753 -7.612 -20.814 9.732 1.00 54.41 C ATOM 291 CG2 ILE A 753 -5.787 -22.444 10.280 1.00 15.40 C ATOM 292 CD1 ILE A 753 -6.916 -20.280 8.500 1.00 34.22 C ATOM 0 H ILE A 753 -7.590 -19.751 12.603 1.00 33.24 H new ATOM 0 HA ILE A 753 -8.234 -22.439 11.746 1.00 23.31 H new ATOM 0 HB ILE A 753 -5.995 -20.486 11.096 1.00 53.41 H new ATOM 0 HG12 ILE A 753 -8.271 -21.632 9.441 1.00 54.41 H new ATOM 0 HG13 ILE A 753 -8.243 -20.030 10.151 1.00 54.41 H new ATOM 0 HG21 ILE A 753 -5.240 -22.104 9.401 1.00 15.40 H new ATOM 0 HG22 ILE A 753 -5.080 -22.755 11.049 1.00 15.40 H new ATOM 0 HG23 ILE A 753 -6.422 -23.287 10.008 1.00 15.40 H new ATOM 0 HD11 ILE A 753 -7.661 -19.946 7.777 1.00 34.22 H new ATOM 0 HD12 ILE A 753 -6.278 -19.441 8.777 1.00 34.22 H new ATOM 0 HD13 ILE A 753 -6.307 -21.067 8.056 1.00 34.22 H new ATOM 304 N GLU A 754 -5.927 -21.790 13.958 1.00 70.11 N ATOM 305 CA GLU A 754 -5.003 -22.382 14.918 1.00 35.33 C ATOM 306 C GLU A 754 -5.757 -23.199 15.964 1.00 41.11 C ATOM 307 O GLU A 754 -5.218 -24.149 16.530 1.00 25.24 O ATOM 308 CB GLU A 754 -4.178 -21.292 15.605 1.00 3.10 C ATOM 309 CG GLU A 754 -2.985 -21.828 16.378 1.00 45.05 C ATOM 310 CD GLU A 754 -2.229 -20.738 17.113 1.00 35.53 C ATOM 311 OE1 GLU A 754 -2.288 -20.715 18.361 1.00 33.23 O ATOM 312 OE2 GLU A 754 -1.579 -19.910 16.443 1.00 0.02 O1- ATOM 0 H GLU A 754 -6.098 -20.794 14.096 1.00 70.11 H new ATOM 0 HA GLU A 754 -4.332 -23.047 14.375 1.00 35.33 H new ATOM 0 HB2 GLU A 754 -3.825 -20.586 14.853 1.00 3.10 H new ATOM 0 HB3 GLU A 754 -4.822 -20.736 16.287 1.00 3.10 H new ATOM 0 HG2 GLU A 754 -3.327 -22.575 17.095 1.00 45.05 H new ATOM 0 HG3 GLU A 754 -2.308 -22.334 15.689 1.00 45.05 H new ATOM 319 N GLN A 755 -7.007 -22.820 16.215 1.00 60.45 N ATOM 320 CA GLN A 755 -7.834 -23.517 17.192 1.00 14.43 C ATOM 321 C GLN A 755 -8.095 -24.955 16.759 1.00 74.41 C ATOM 322 O GLN A 755 -8.324 -25.832 17.590 1.00 23.44 O ATOM 323 CB GLN A 755 -9.161 -22.781 17.385 1.00 31.30 C ATOM 324 CG GLN A 755 -9.072 -21.609 18.349 1.00 10.33 C ATOM 325 CD GLN A 755 -10.336 -20.772 18.368 1.00 52.33 C ATOM 326 OE1 GLN A 755 -10.280 -19.543 18.336 1.00 54.54 O ATOM 327 NE2 GLN A 755 -11.486 -21.435 18.419 1.00 24.22 N ATOM 0 H GLN A 755 -7.468 -22.035 15.755 1.00 60.45 H new ATOM 0 HA GLN A 755 -7.295 -23.535 18.139 1.00 14.43 H new ATOM 0 HB2 GLN A 755 -9.510 -22.419 16.418 1.00 31.30 H new ATOM 0 HB3 GLN A 755 -9.908 -23.486 17.751 1.00 31.30 H new ATOM 0 HG2 GLN A 755 -8.874 -21.984 19.353 1.00 10.33 H new ATOM 0 HG3 GLN A 755 -8.227 -20.978 18.071 1.00 10.33 H new ATOM 0 HE21 GLN A 755 -11.486 -22.455 18.444 1.00 24.22 H new ATOM 0 HE22 GLN A 755 -12.369 -20.924 18.433 1.00 24.22 H new ATOM 336 N ASN A 756 -8.060 -25.190 15.451 1.00 4.12 N ATOM 337 CA ASN A 756 -8.294 -26.523 14.906 1.00 2.45 C ATOM 338 C ASN A 756 -7.312 -27.531 15.496 1.00 55.22 C ATOM 339 O ASN A 756 -7.586 -28.730 15.536 1.00 52.31 O ATOM 340 CB ASN A 756 -8.168 -26.503 13.382 1.00 15.25 C ATOM 341 CG ASN A 756 -8.081 -27.897 12.791 1.00 14.32 C ATOM 342 OD1 ASN A 756 -8.878 -28.775 13.122 1.00 0.13 O ATOM 343 ND2 ASN A 756 -7.110 -28.106 11.911 1.00 64.24 N ATOM 0 H ASN A 756 -7.872 -24.475 14.749 1.00 4.12 H new ATOM 0 HA ASN A 756 -9.305 -26.827 15.176 1.00 2.45 H new ATOM 0 HB2 ASN A 756 -9.026 -25.984 12.956 1.00 15.25 H new ATOM 0 HB3 ASN A 756 -7.281 -25.936 13.101 1.00 15.25 H new ATOM 0 HD21 ASN A 756 -7.002 -29.024 11.479 1.00 64.24 H new ATOM 0 HD22 ASN A 756 -6.472 -27.349 11.666 1.00 64.24 H new ATOM 350 N ASN A 757 -6.166 -27.035 15.953 1.00 35.12 N ATOM 351 CA ASN A 757 -5.143 -27.893 16.541 1.00 43.54 C ATOM 352 C ASN A 757 -5.343 -28.025 18.047 1.00 12.40 C ATOM 353 O ASN A 757 -5.474 -29.130 18.572 1.00 25.13 O ATOM 354 CB ASN A 757 -3.750 -27.333 16.246 1.00 23.05 C ATOM 355 CG ASN A 757 -3.121 -27.963 15.018 1.00 52.32 C ATOM 356 OD1 ASN A 757 -2.351 -28.917 15.121 1.00 31.52 O ATOM 357 ND2 ASN A 757 -3.448 -27.429 13.847 1.00 14.11 N ATOM 0 H ASN A 757 -5.923 -26.045 15.927 1.00 35.12 H new ATOM 0 HA ASN A 757 -5.232 -28.883 16.094 1.00 43.54 H new ATOM 0 HB2 ASN A 757 -3.818 -26.255 16.103 1.00 23.05 H new ATOM 0 HB3 ASN A 757 -3.104 -27.500 17.108 1.00 23.05 H new ATOM 0 HD21 ASN A 757 -3.056 -27.810 12.986 1.00 14.11 H new ATOM 0 HD22 ASN A 757 -4.091 -26.638 13.809 1.00 14.11 H new ATOM 364 N VAL A 758 -5.367 -26.888 18.737 1.00 22.23 N ATOM 365 CA VAL A 758 -5.553 -26.876 20.183 1.00 75.45 C ATOM 366 C VAL A 758 -6.845 -27.583 20.577 1.00 11.32 C ATOM 367 O VAL A 758 -6.946 -28.150 21.665 1.00 52.34 O ATOM 368 CB VAL A 758 -5.580 -25.437 20.733 1.00 21.42 C ATOM 369 CG1 VAL A 758 -5.803 -25.445 22.238 1.00 62.05 C ATOM 370 CG2 VAL A 758 -4.292 -24.708 20.380 1.00 72.30 C ATOM 0 H VAL A 758 -5.260 -25.964 18.318 1.00 22.23 H new ATOM 0 HA VAL A 758 -4.705 -27.407 20.616 1.00 75.45 H new ATOM 0 HB VAL A 758 -6.411 -24.904 20.270 1.00 21.42 H new ATOM 0 HG11 VAL A 758 -5.819 -24.420 22.609 1.00 62.05 H new ATOM 0 HG12 VAL A 758 -6.755 -25.927 22.462 1.00 62.05 H new ATOM 0 HG13 VAL A 758 -4.995 -25.994 22.723 1.00 62.05 H new ATOM 0 HG21 VAL A 758 -4.328 -23.693 20.776 1.00 72.30 H new ATOM 0 HG22 VAL A 758 -3.444 -25.237 20.814 1.00 72.30 H new ATOM 0 HG23 VAL A 758 -4.180 -24.671 19.296 1.00 72.30 H new ATOM 380 N GLN A 759 -7.829 -27.546 19.685 1.00 51.44 N ATOM 381 CA GLN A 759 -9.115 -28.184 19.940 1.00 61.12 C ATOM 382 C GLN A 759 -9.304 -29.405 19.046 1.00 32.33 C ATOM 383 O GLN A 759 -10.368 -29.599 18.461 1.00 35.44 O ATOM 384 CB GLN A 759 -10.255 -27.189 19.713 1.00 74.11 C ATOM 385 CG GLN A 759 -10.084 -25.883 20.471 1.00 43.41 C ATOM 386 CD GLN A 759 -10.328 -26.035 21.959 1.00 35.14 C ATOM 387 OE1 GLN A 759 -10.909 -27.024 22.407 1.00 0.10 O ATOM 388 NE2 GLN A 759 -9.885 -25.053 22.736 1.00 11.11 N ATOM 0 H GLN A 759 -7.761 -27.081 18.780 1.00 51.44 H new ATOM 0 HA GLN A 759 -9.130 -28.512 20.979 1.00 61.12 H new ATOM 0 HB2 GLN A 759 -10.331 -26.973 18.647 1.00 74.11 H new ATOM 0 HB3 GLN A 759 -11.195 -27.652 20.012 1.00 74.11 H new ATOM 0 HG2 GLN A 759 -9.075 -25.503 20.309 1.00 43.41 H new ATOM 0 HG3 GLN A 759 -10.773 -25.141 20.068 1.00 43.41 H new ATOM 0 HE21 GLN A 759 -9.409 -24.251 22.323 1.00 11.11 H new ATOM 0 HE22 GLN A 759 -10.021 -25.101 23.746 1.00 11.11 H new ATOM 397 N GLY A 760 -8.263 -30.226 18.946 1.00 61.01 N ATOM 398 CA GLY A 760 -8.334 -31.417 18.121 1.00 75.43 C ATOM 399 C GLY A 760 -7.166 -32.355 18.353 1.00 44.43 C ATOM 400 O GLY A 760 -6.556 -32.846 17.403 1.00 70.14 O ATOM 0 H GLY A 760 -7.372 -30.087 19.422 1.00 61.01 H new ATOM 0 HA2 GLY A 760 -9.265 -31.944 18.329 1.00 75.43 H new ATOM 0 HA3 GLY A 760 -8.359 -31.126 17.071 1.00 75.43 H new ATOM 404 N LYS A 761 -6.850 -32.601 19.619 1.00 34.22 N ATOM 405 CA LYS A 761 -5.746 -33.485 19.975 1.00 53.24 C ATOM 406 C LYS A 761 -6.146 -34.429 21.105 1.00 43.42 C ATOM 407 O LYS A 761 -5.816 -35.614 21.084 1.00 75.53 O ATOM 408 CB LYS A 761 -4.522 -32.665 20.389 1.00 61.14 C ATOM 409 CG LYS A 761 -3.950 -31.817 19.267 1.00 62.31 C ATOM 410 CD LYS A 761 -3.048 -30.718 19.802 1.00 5.43 C ATOM 411 CE LYS A 761 -2.425 -29.909 18.675 1.00 62.32 C ATOM 412 NZ LYS A 761 -1.705 -28.709 19.186 1.00 71.33 N1+ ATOM 0 H LYS A 761 -7.343 -32.200 20.417 1.00 34.22 H new ATOM 0 HA LYS A 761 -5.495 -34.083 19.099 1.00 53.24 H new ATOM 0 HB2 LYS A 761 -4.795 -32.016 21.221 1.00 61.14 H new ATOM 0 HB3 LYS A 761 -3.748 -33.341 20.753 1.00 61.14 H new ATOM 0 HG2 LYS A 761 -3.386 -32.451 18.582 1.00 62.31 H new ATOM 0 HG3 LYS A 761 -4.764 -31.374 18.694 1.00 62.31 H new ATOM 0 HD2 LYS A 761 -3.623 -30.057 20.450 1.00 5.43 H new ATOM 0 HD3 LYS A 761 -2.260 -31.158 20.414 1.00 5.43 H new ATOM 0 HE2 LYS A 761 -1.732 -30.538 18.117 1.00 62.32 H new ATOM 0 HE3 LYS A 761 -3.203 -29.596 17.979 1.00 62.32 H new ATOM 0 HZ1 LYS A 761 -1.295 -28.184 18.387 1.00 71.33 H new ATOM 0 HZ2 LYS A 761 -2.371 -28.096 19.697 1.00 71.33 H new ATOM 0 HZ3 LYS A 761 -0.946 -29.008 19.831 1.00 71.33 H new ATOM 426 N THR A 762 -6.858 -33.894 22.091 1.00 54.22 N ATOM 427 CA THR A 762 -7.303 -34.687 23.230 1.00 13.33 C ATOM 428 C THR A 762 -8.724 -35.198 23.022 1.00 74.42 C ATOM 429 O THR A 762 -9.459 -35.427 23.983 1.00 71.15 O ATOM 430 CB THR A 762 -7.249 -33.874 24.537 1.00 31.10 C ATOM 431 OG1 THR A 762 -6.086 -33.038 24.545 1.00 2.25 O ATOM 432 CG2 THR A 762 -7.225 -34.796 25.747 1.00 11.11 C ATOM 0 H THR A 762 -7.139 -32.914 22.124 1.00 54.22 H new ATOM 0 HA THR A 762 -6.622 -35.534 23.310 1.00 13.33 H new ATOM 0 HB THR A 762 -8.143 -33.253 24.591 1.00 31.10 H new ATOM 0 HG1 THR A 762 -6.059 -32.523 25.378 1.00 2.25 H new ATOM 0 HG21 THR A 762 -7.187 -34.199 26.658 1.00 11.11 H new ATOM 0 HG22 THR A 762 -8.125 -35.411 25.753 1.00 11.11 H new ATOM 0 HG23 THR A 762 -6.346 -35.439 25.697 1.00 11.11 H new ATOM 440 N GLY A 763 -9.106 -35.377 21.761 1.00 51.11 N ATOM 441 CA GLY A 763 -10.438 -35.860 21.450 1.00 74.41 C ATOM 442 C GLY A 763 -11.485 -34.766 21.525 1.00 73.52 C ATOM 443 O GLY A 763 -12.414 -34.841 22.329 1.00 4.15 O ATOM 0 H GLY A 763 -8.516 -35.196 20.949 1.00 51.11 H new ATOM 0 HA2 GLY A 763 -10.440 -36.292 20.449 1.00 74.41 H new ATOM 0 HA3 GLY A 763 -10.702 -36.659 22.143 1.00 74.41 H new ATOM 447 N ILE A 764 -11.333 -33.747 20.686 1.00 10.04 N ATOM 448 CA ILE A 764 -12.273 -32.633 20.661 1.00 3.05 C ATOM 449 C ILE A 764 -12.243 -31.918 19.315 1.00 73.43 C ATOM 450 O ILE A 764 -12.618 -30.751 19.213 1.00 40.33 O ATOM 451 CB ILE A 764 -11.968 -31.615 21.776 1.00 31.23 C ATOM 452 CG1 ILE A 764 -13.177 -30.708 22.013 1.00 12.33 C ATOM 453 CG2 ILE A 764 -10.742 -30.789 21.419 1.00 21.25 C ATOM 454 CD1 ILE A 764 -13.919 -31.012 23.296 1.00 42.42 C ATOM 0 H ILE A 764 -10.569 -33.670 20.015 1.00 10.04 H new ATOM 0 HA ILE A 764 -13.265 -33.054 20.824 1.00 3.05 H new ATOM 0 HB ILE A 764 -11.759 -32.159 22.697 1.00 31.23 H new ATOM 0 HG12 ILE A 764 -12.844 -29.670 22.033 1.00 12.33 H new ATOM 0 HG13 ILE A 764 -13.865 -30.806 21.173 1.00 12.33 H new ATOM 0 HG21 ILE A 764 -10.540 -30.074 22.217 1.00 21.25 H new ATOM 0 HG22 ILE A 764 -9.883 -31.448 21.296 1.00 21.25 H new ATOM 0 HG23 ILE A 764 -10.924 -30.252 20.488 1.00 21.25 H new ATOM 0 HD11 ILE A 764 -14.763 -30.330 23.398 1.00 42.42 H new ATOM 0 HD12 ILE A 764 -14.283 -32.039 23.271 1.00 42.42 H new ATOM 0 HD13 ILE A 764 -13.246 -30.886 24.144 1.00 42.42 H new ATOM 466 N GLN A 765 -11.797 -32.629 18.284 1.00 53.30 N ATOM 467 CA GLN A 765 -11.721 -32.063 16.943 1.00 63.13 C ATOM 468 C GLN A 765 -13.088 -31.571 16.480 1.00 11.42 C ATOM 469 O GLN A 765 -13.184 -30.700 15.615 1.00 34.24 O ATOM 470 CB GLN A 765 -11.179 -33.102 15.958 1.00 44.43 C ATOM 471 CG GLN A 765 -9.810 -33.643 16.337 1.00 30.52 C ATOM 472 CD GLN A 765 -9.476 -34.937 15.622 1.00 73.35 C ATOM 473 OE1 GLN A 765 -9.892 -35.156 14.483 1.00 11.32 O ATOM 474 NE2 GLN A 765 -8.722 -35.805 16.287 1.00 52.53 N ATOM 0 H GLN A 765 -11.483 -33.597 18.352 1.00 53.30 H new ATOM 0 HA GLN A 765 -11.041 -31.212 16.974 1.00 63.13 H new ATOM 0 HB2 GLN A 765 -11.883 -33.931 15.894 1.00 44.43 H new ATOM 0 HB3 GLN A 765 -11.122 -32.655 14.966 1.00 44.43 H new ATOM 0 HG2 GLN A 765 -9.051 -32.897 16.103 1.00 30.52 H new ATOM 0 HG3 GLN A 765 -9.774 -33.808 17.414 1.00 30.52 H new ATOM 0 HE21 GLN A 765 -8.399 -35.583 17.229 1.00 52.53 H new ATOM 0 HE22 GLN A 765 -8.466 -36.693 15.856 1.00 52.53 H new ATOM 483 N GLN A 766 -14.141 -32.135 17.062 1.00 54.23 N ATOM 484 CA GLN A 766 -15.504 -31.753 16.708 1.00 22.12 C ATOM 485 C GLN A 766 -15.744 -30.273 16.984 1.00 3.11 C ATOM 486 O GLN A 766 -16.681 -29.675 16.453 1.00 35.12 O ATOM 487 CB GLN A 766 -16.512 -32.599 17.487 1.00 23.12 C ATOM 488 CG GLN A 766 -17.876 -32.686 16.822 1.00 55.21 C ATOM 489 CD GLN A 766 -18.250 -34.105 16.441 1.00 14.20 C ATOM 490 OE1 GLN A 766 -19.350 -34.571 16.743 1.00 61.52 O ATOM 491 NE2 GLN A 766 -17.337 -34.799 15.774 1.00 23.43 N ATOM 0 H GLN A 766 -14.078 -32.857 17.780 1.00 54.23 H new ATOM 0 HA GLN A 766 -15.638 -31.931 15.641 1.00 22.12 H new ATOM 0 HB2 GLN A 766 -16.112 -33.605 17.609 1.00 23.12 H new ATOM 0 HB3 GLN A 766 -16.630 -32.180 18.486 1.00 23.12 H new ATOM 0 HG2 GLN A 766 -18.631 -32.284 17.497 1.00 55.21 H new ATOM 0 HG3 GLN A 766 -17.881 -32.061 15.929 1.00 55.21 H new ATOM 0 HE21 GLN A 766 -16.439 -34.373 15.545 1.00 23.43 H new ATOM 0 HE22 GLN A 766 -17.533 -35.759 15.490 1.00 23.43 H new ATOM 500 N LEU A 767 -14.892 -29.685 17.818 1.00 72.40 N ATOM 501 CA LEU A 767 -15.011 -28.274 18.165 1.00 53.32 C ATOM 502 C LEU A 767 -15.085 -27.408 16.911 1.00 30.41 C ATOM 503 O LEU A 767 -15.920 -26.510 16.814 1.00 43.20 O ATOM 504 CB LEU A 767 -13.826 -27.840 19.030 1.00 55.41 C ATOM 505 CG LEU A 767 -14.079 -26.658 19.968 1.00 3.13 C ATOM 506 CD1 LEU A 767 -14.398 -25.403 19.171 1.00 2.42 C ATOM 507 CD2 LEU A 767 -15.207 -26.978 20.938 1.00 2.00 C ATOM 0 H LEU A 767 -14.111 -30.165 18.266 1.00 72.40 H new ATOM 0 HA LEU A 767 -15.934 -28.141 18.730 1.00 53.32 H new ATOM 0 HB2 LEU A 767 -13.508 -28.693 19.630 1.00 55.41 H new ATOM 0 HB3 LEU A 767 -12.995 -27.585 18.372 1.00 55.41 H new ATOM 0 HG LEU A 767 -13.172 -26.476 20.545 1.00 3.13 H new ATOM 0 HD11 LEU A 767 -14.575 -24.573 19.855 1.00 2.42 H new ATOM 0 HD12 LEU A 767 -13.558 -25.163 18.519 1.00 2.42 H new ATOM 0 HD13 LEU A 767 -15.290 -25.572 18.567 1.00 2.42 H new ATOM 0 HD21 LEU A 767 -15.373 -26.126 21.597 1.00 2.00 H new ATOM 0 HD22 LEU A 767 -16.119 -27.187 20.379 1.00 2.00 H new ATOM 0 HD23 LEU A 767 -14.938 -27.850 21.534 1.00 2.00 H new ATOM 519 N GLN A 768 -14.206 -27.688 15.953 1.00 15.11 N ATOM 520 CA GLN A 768 -14.174 -26.936 14.705 1.00 24.02 C ATOM 521 C GLN A 768 -15.064 -27.589 13.653 1.00 41.33 C ATOM 522 O GLN A 768 -15.360 -26.991 12.618 1.00 65.15 O ATOM 523 CB GLN A 768 -12.739 -26.835 14.184 1.00 45.24 C ATOM 524 CG GLN A 768 -12.203 -28.140 13.618 1.00 44.41 C ATOM 525 CD GLN A 768 -12.057 -28.106 12.110 1.00 42.32 C ATOM 526 OE1 GLN A 768 -11.021 -27.695 11.584 1.00 10.23 O ATOM 527 NE2 GLN A 768 -13.095 -28.538 11.404 1.00 52.00 N ATOM 0 H GLN A 768 -13.508 -28.429 16.018 1.00 15.11 H new ATOM 0 HA GLN A 768 -14.553 -25.934 14.904 1.00 24.02 H new ATOM 0 HB2 GLN A 768 -12.695 -26.068 13.410 1.00 45.24 H new ATOM 0 HB3 GLN A 768 -12.089 -26.507 14.995 1.00 45.24 H new ATOM 0 HG2 GLN A 768 -11.234 -28.356 14.068 1.00 44.41 H new ATOM 0 HG3 GLN A 768 -12.872 -28.954 13.896 1.00 44.41 H new ATOM 0 HE21 GLN A 768 -13.933 -28.870 11.881 1.00 52.00 H new ATOM 0 HE22 GLN A 768 -13.054 -28.538 10.385 1.00 52.00 H new ATOM 536 N LYS A 769 -15.488 -28.818 13.923 1.00 64.10 N ATOM 537 CA LYS A 769 -16.345 -29.553 13.001 1.00 52.31 C ATOM 538 C LYS A 769 -17.815 -29.232 13.252 1.00 62.10 C ATOM 539 O LYS A 769 -18.682 -29.580 12.450 1.00 41.45 O ATOM 540 CB LYS A 769 -16.110 -31.058 13.142 1.00 34.50 C ATOM 541 CG LYS A 769 -14.641 -31.445 13.156 1.00 33.23 C ATOM 542 CD LYS A 769 -14.310 -32.416 12.034 1.00 2.02 C ATOM 543 CE LYS A 769 -14.302 -31.721 10.681 1.00 64.44 C ATOM 544 NZ LYS A 769 -12.960 -31.779 10.036 1.00 15.24 N1+ ATOM 0 H LYS A 769 -15.252 -29.327 14.775 1.00 64.10 H new ATOM 0 HA LYS A 769 -16.092 -29.246 11.986 1.00 52.31 H new ATOM 0 HB2 LYS A 769 -16.578 -31.406 14.063 1.00 34.50 H new ATOM 0 HB3 LYS A 769 -16.605 -31.573 12.319 1.00 34.50 H new ATOM 0 HG2 LYS A 769 -14.027 -30.550 13.057 1.00 33.23 H new ATOM 0 HG3 LYS A 769 -14.392 -31.898 14.116 1.00 33.23 H new ATOM 0 HD2 LYS A 769 -13.335 -32.868 12.218 1.00 2.02 H new ATOM 0 HD3 LYS A 769 -15.040 -33.225 12.024 1.00 2.02 H new ATOM 0 HE2 LYS A 769 -15.039 -32.188 10.028 1.00 64.44 H new ATOM 0 HE3 LYS A 769 -14.601 -30.680 10.805 1.00 64.44 H new ATOM 0 HZ1 LYS A 769 -12.996 -31.295 9.116 1.00 15.24 H new ATOM 0 HZ2 LYS A 769 -12.261 -31.311 10.647 1.00 15.24 H new ATOM 0 HZ3 LYS A 769 -12.686 -32.772 9.894 1.00 15.24 H new ATOM 558 N TRP A 770 -18.088 -28.565 14.367 1.00 35.34 N ATOM 559 CA TRP A 770 -19.454 -28.196 14.723 1.00 3.11 C ATOM 560 C TRP A 770 -20.197 -27.634 13.516 1.00 71.32 C ATOM 561 O TRP A 770 -20.670 -28.384 12.664 1.00 61.44 O ATOM 562 CB TRP A 770 -19.448 -27.171 15.858 1.00 41.13 C ATOM 563 CG TRP A 770 -18.464 -26.059 15.649 1.00 73.11 C ATOM 564 CD1 TRP A 770 -17.636 -25.888 14.576 1.00 73.33 C ATOM 565 CD2 TRP A 770 -18.205 -24.966 16.536 1.00 60.11 C ATOM 566 NE1 TRP A 770 -16.878 -24.755 14.743 1.00 40.33 N ATOM 567 CE2 TRP A 770 -17.208 -24.171 15.937 1.00 12.20 C ATOM 568 CE3 TRP A 770 -18.719 -24.582 17.777 1.00 43.40 C ATOM 569 CZ2 TRP A 770 -16.717 -23.016 16.539 1.00 50.50 C ATOM 570 CZ3 TRP A 770 -18.230 -23.435 18.374 1.00 40.22 C ATOM 571 CH2 TRP A 770 -17.238 -22.662 17.755 1.00 43.22 C ATOM 0 H TRP A 770 -17.382 -28.268 15.041 1.00 35.34 H new ATOM 0 HA TRP A 770 -19.972 -29.095 15.059 1.00 3.11 H new ATOM 0 HB2 TRP A 770 -20.447 -26.748 15.961 1.00 41.13 H new ATOM 0 HB3 TRP A 770 -19.218 -27.678 16.795 1.00 41.13 H new ATOM 0 HD1 TRP A 770 -17.585 -26.547 13.722 1.00 73.33 H new ATOM 0 HE1 TRP A 770 -16.182 -24.405 14.084 1.00 40.33 H new ATOM 0 HE3 TRP A 770 -19.484 -25.170 18.261 1.00 43.40 H new ATOM 0 HZ2 TRP A 770 -15.952 -22.420 16.064 1.00 50.50 H new ATOM 0 HZ3 TRP A 770 -18.619 -23.129 19.334 1.00 40.22 H new ATOM 0 HH2 TRP A 770 -16.878 -21.770 18.246 1.00 43.22 H new ATOM 582 N GLU A 771 -20.294 -26.310 13.451 1.00 14.35 N ATOM 583 CA GLU A 771 -20.981 -25.649 12.348 1.00 12.40 C ATOM 584 C GLU A 771 -20.411 -26.096 11.005 1.00 21.13 C ATOM 585 O GLU A 771 -20.994 -25.835 9.953 1.00 0.32 O ATOM 586 CB GLU A 771 -20.864 -24.129 12.482 1.00 53.31 C ATOM 587 CG GLU A 771 -22.183 -23.442 12.793 1.00 10.31 C ATOM 588 CD GLU A 771 -22.064 -22.429 13.915 1.00 44.43 C ATOM 589 OE1 GLU A 771 -21.802 -21.244 13.618 1.00 14.50 O ATOM 590 OE2 GLU A 771 -22.230 -22.820 15.089 1.00 72.34 O1- ATOM 0 H GLU A 771 -19.906 -25.675 14.148 1.00 14.35 H new ATOM 0 HA GLU A 771 -22.033 -25.931 12.389 1.00 12.40 H new ATOM 0 HB2 GLU A 771 -20.148 -23.896 13.270 1.00 53.31 H new ATOM 0 HB3 GLU A 771 -20.461 -23.721 11.555 1.00 53.31 H new ATOM 0 HG2 GLU A 771 -22.549 -22.943 11.896 1.00 10.31 H new ATOM 0 HG3 GLU A 771 -22.924 -24.193 13.064 1.00 10.31 H new ATOM 597 N ASP A 772 -19.269 -26.773 11.050 1.00 5.32 N ATOM 598 CA ASP A 772 -18.619 -27.258 9.839 1.00 22.40 C ATOM 599 C ASP A 772 -19.600 -28.045 8.975 1.00 65.53 C ATOM 600 O ASP A 772 -19.402 -28.187 7.767 1.00 23.14 O ATOM 601 CB ASP A 772 -17.417 -28.134 10.195 1.00 22.14 C ATOM 602 CG ASP A 772 -16.399 -28.204 9.074 1.00 62.01 C ATOM 603 OD1 ASP A 772 -16.398 -29.211 8.334 1.00 21.12 O ATOM 604 OD2 ASP A 772 -15.603 -27.252 8.936 1.00 53.22 O1- ATOM 0 H ASP A 772 -18.774 -26.998 11.913 1.00 5.32 H new ATOM 0 HA ASP A 772 -18.273 -26.395 9.271 1.00 22.40 H new ATOM 0 HB2 ASP A 772 -16.938 -27.742 11.092 1.00 22.14 H new ATOM 0 HB3 ASP A 772 -17.762 -29.140 10.432 1.00 22.14 H new ATOM 609 N TRP A 773 -20.654 -28.555 9.600 1.00 21.14 N ATOM 610 CA TRP A 773 -21.664 -29.329 8.888 1.00 53.21 C ATOM 611 C TRP A 773 -22.316 -28.494 7.790 1.00 5.05 C ATOM 612 O TRP A 773 -22.979 -29.029 6.902 1.00 45.42 O ATOM 613 CB TRP A 773 -22.731 -29.833 9.862 1.00 44.15 C ATOM 614 CG TRP A 773 -23.299 -28.753 10.733 1.00 25.44 C ATOM 615 CD1 TRP A 773 -23.798 -27.549 10.325 1.00 31.34 C ATOM 616 CD2 TRP A 773 -23.422 -28.779 12.158 1.00 12.25 C ATOM 617 NE1 TRP A 773 -24.225 -26.826 11.412 1.00 43.43 N ATOM 618 CE2 TRP A 773 -24.006 -27.558 12.548 1.00 14.15 C ATOM 619 CE3 TRP A 773 -23.098 -29.715 13.144 1.00 32.52 C ATOM 620 CZ2 TRP A 773 -24.271 -27.251 13.881 1.00 62.43 C ATOM 621 CZ3 TRP A 773 -23.361 -29.410 14.466 1.00 52.34 C ATOM 622 CH2 TRP A 773 -23.944 -28.186 14.824 1.00 4.13 C ATOM 0 H TRP A 773 -20.832 -28.447 10.599 1.00 21.14 H new ATOM 0 HA TRP A 773 -21.171 -30.184 8.425 1.00 53.21 H new ATOM 0 HB2 TRP A 773 -23.539 -30.296 9.296 1.00 44.15 H new ATOM 0 HB3 TRP A 773 -22.299 -30.609 10.493 1.00 44.15 H new ATOM 0 HD1 TRP A 773 -23.849 -27.215 9.299 1.00 31.34 H new ATOM 0 HE1 TRP A 773 -24.638 -25.894 11.378 1.00 43.43 H new ATOM 0 HE3 TRP A 773 -22.650 -30.661 12.877 1.00 32.52 H new ATOM 0 HZ2 TRP A 773 -24.719 -26.308 14.160 1.00 62.43 H new ATOM 0 HZ3 TRP A 773 -23.114 -30.126 15.236 1.00 52.34 H new ATOM 0 HH2 TRP A 773 -24.139 -27.977 15.866 1.00 4.13 H new ATOM 633 N VAL A 774 -22.121 -27.180 7.858 1.00 35.20 N ATOM 634 CA VAL A 774 -22.689 -26.272 6.869 1.00 61.44 C ATOM 635 C VAL A 774 -22.375 -26.738 5.451 1.00 44.44 C ATOM 636 O VAL A 774 -23.124 -26.459 4.515 1.00 4.50 O ATOM 637 CB VAL A 774 -22.161 -24.838 7.056 1.00 61.04 C ATOM 638 CG1 VAL A 774 -22.506 -23.980 5.847 1.00 65.13 C ATOM 639 CG2 VAL A 774 -22.721 -24.226 8.331 1.00 44.24 C ATOM 0 H VAL A 774 -21.574 -26.722 8.587 1.00 35.20 H new ATOM 0 HA VAL A 774 -23.769 -26.276 7.018 1.00 61.44 H new ATOM 0 HB VAL A 774 -21.075 -24.878 7.146 1.00 61.04 H new ATOM 0 HG11 VAL A 774 -22.125 -22.970 5.997 1.00 65.13 H new ATOM 0 HG12 VAL A 774 -22.052 -24.410 4.954 1.00 65.13 H new ATOM 0 HG13 VAL A 774 -23.588 -23.945 5.723 1.00 65.13 H new ATOM 0 HG21 VAL A 774 -22.337 -23.212 8.447 1.00 44.24 H new ATOM 0 HG22 VAL A 774 -23.809 -24.198 8.274 1.00 44.24 H new ATOM 0 HG23 VAL A 774 -22.418 -24.829 9.187 1.00 44.24 H new ATOM 649 N ARG A 775 -21.262 -27.449 5.301 1.00 54.23 N ATOM 650 CA ARG A 775 -20.848 -27.953 3.997 1.00 42.45 C ATOM 651 C ARG A 775 -21.956 -28.783 3.358 1.00 33.10 C ATOM 652 O ARG A 775 -22.104 -28.804 2.136 1.00 64.34 O ATOM 653 CB ARG A 775 -19.578 -28.794 4.132 1.00 33.45 C ATOM 654 CG ARG A 775 -18.306 -27.968 4.228 1.00 72.21 C ATOM 655 CD ARG A 775 -17.953 -27.332 2.893 1.00 61.04 C ATOM 656 NE ARG A 775 -17.676 -28.333 1.866 1.00 4.43 N ATOM 657 CZ ARG A 775 -17.019 -28.070 0.741 1.00 10.12 C ATOM 658 NH1 ARG A 775 -16.575 -26.844 0.501 1.00 31.40 N ATOM 659 NH2 ARG A 775 -16.806 -29.034 -0.145 1.00 31.03 N1+ ATOM 0 H ARG A 775 -20.631 -27.689 6.066 1.00 54.23 H new ATOM 0 HA ARG A 775 -20.642 -27.098 3.353 1.00 42.45 H new ATOM 0 HB2 ARG A 775 -19.661 -29.422 5.019 1.00 33.45 H new ATOM 0 HB3 ARG A 775 -19.503 -29.463 3.274 1.00 33.45 H new ATOM 0 HG2 ARG A 775 -18.432 -27.190 4.981 1.00 72.21 H new ATOM 0 HG3 ARG A 775 -17.483 -28.602 4.559 1.00 72.21 H new ATOM 0 HD2 ARG A 775 -18.775 -26.695 2.566 1.00 61.04 H new ATOM 0 HD3 ARG A 775 -17.082 -26.689 3.017 1.00 61.04 H new ATOM 0 HE ARG A 775 -18.005 -29.286 2.021 1.00 4.43 H new ATOM 0 HH11 ARG A 775 -16.737 -26.101 1.180 1.00 31.40 H new ATOM 0 HH12 ARG A 775 -16.071 -26.644 -0.363 1.00 31.40 H new ATOM 0 HH21 ARG A 775 -17.147 -29.978 0.037 1.00 31.03 H new ATOM 0 HH22 ARG A 775 -16.302 -28.831 -1.008 1.00 31.03 H new ATOM 673 N TRP A 776 -22.732 -29.465 4.192 1.00 71.35 N ATOM 674 CA TRP A 776 -23.827 -30.298 3.707 1.00 73.10 C ATOM 675 C TRP A 776 -24.793 -29.485 2.852 1.00 14.11 C ATOM 676 O TRP A 776 -25.364 -29.996 1.888 1.00 3.25 O ATOM 677 CB TRP A 776 -24.575 -30.929 4.884 1.00 13.32 C ATOM 678 CG TRP A 776 -26.037 -31.129 4.620 1.00 43.53 C ATOM 679 CD1 TRP A 776 -26.596 -31.941 3.676 1.00 22.24 C ATOM 680 CD2 TRP A 776 -27.125 -30.502 5.308 1.00 35.14 C ATOM 681 NE1 TRP A 776 -27.965 -31.859 3.735 1.00 15.42 N ATOM 682 CE2 TRP A 776 -28.316 -30.984 4.730 1.00 51.34 C ATOM 683 CE3 TRP A 776 -27.210 -29.584 6.359 1.00 31.14 C ATOM 684 CZ2 TRP A 776 -29.573 -30.574 5.166 1.00 72.52 C ATOM 685 CZ3 TRP A 776 -28.458 -29.180 6.791 1.00 10.24 C ATOM 686 CH2 TRP A 776 -29.627 -29.675 6.196 1.00 60.31 C ATOM 0 H TRP A 776 -22.624 -29.458 5.206 1.00 71.35 H new ATOM 0 HA TRP A 776 -23.402 -31.089 3.089 1.00 73.10 H new ATOM 0 HB2 TRP A 776 -24.121 -31.891 5.120 1.00 13.32 H new ATOM 0 HB3 TRP A 776 -24.455 -30.296 5.763 1.00 13.32 H new ATOM 0 HD1 TRP A 776 -26.042 -32.558 2.984 1.00 22.24 H new ATOM 0 HE1 TRP A 776 -28.616 -32.367 3.136 1.00 15.42 H new ATOM 0 HE3 TRP A 776 -26.316 -29.198 6.825 1.00 31.14 H new ATOM 0 HZ2 TRP A 776 -30.474 -30.953 4.707 1.00 72.52 H new ATOM 0 HZ3 TRP A 776 -28.535 -28.470 7.601 1.00 10.24 H new ATOM 0 HH2 TRP A 776 -30.588 -29.340 6.557 1.00 60.31 H new ATOM 697 N ILE A 777 -24.971 -28.218 3.211 1.00 73.51 N ATOM 698 CA ILE A 777 -25.868 -27.335 2.475 1.00 64.40 C ATOM 699 C ILE A 777 -25.126 -26.106 1.959 1.00 15.05 C ATOM 700 O ILE A 777 -25.680 -25.008 1.913 1.00 14.04 O ATOM 701 CB ILE A 777 -27.050 -26.879 3.349 1.00 53.03 C ATOM 702 CG1 ILE A 777 -26.555 -26.436 4.727 1.00 71.15 C ATOM 703 CG2 ILE A 777 -28.073 -27.997 3.482 1.00 73.43 C ATOM 704 CD1 ILE A 777 -27.123 -25.108 5.176 1.00 72.53 C ATOM 0 H ILE A 777 -24.506 -27.780 4.006 1.00 73.51 H new ATOM 0 HA ILE A 777 -26.252 -27.906 1.630 1.00 64.40 H new ATOM 0 HB ILE A 777 -27.531 -26.028 2.867 1.00 53.03 H new ATOM 0 HG12 ILE A 777 -26.815 -27.200 5.460 1.00 71.15 H new ATOM 0 HG13 ILE A 777 -25.467 -26.369 4.709 1.00 71.15 H new ATOM 0 HG21 ILE A 777 -28.903 -27.659 4.103 1.00 73.43 H new ATOM 0 HG22 ILE A 777 -28.446 -28.268 2.494 1.00 73.43 H new ATOM 0 HG23 ILE A 777 -27.604 -28.866 3.944 1.00 73.43 H new ATOM 0 HD11 ILE A 777 -26.728 -24.858 6.161 1.00 72.53 H new ATOM 0 HD12 ILE A 777 -26.841 -24.332 4.464 1.00 72.53 H new ATOM 0 HD13 ILE A 777 -28.210 -25.176 5.227 1.00 72.53 H new ATOM 716 N GLY A 778 -23.869 -26.298 1.571 1.00 74.32 N ATOM 717 CA GLY A 778 -23.073 -25.197 1.062 1.00 21.42 C ATOM 718 C GLY A 778 -23.193 -25.041 -0.441 1.00 32.42 C ATOM 719 O GLY A 778 -22.194 -24.855 -1.134 1.00 30.11 O ATOM 0 H GLY A 778 -23.388 -27.197 1.600 1.00 74.32 H new ATOM 0 HA2 GLY A 778 -23.386 -24.272 1.546 1.00 21.42 H new ATOM 0 HA3 GLY A 778 -22.027 -25.357 1.325 1.00 21.42 H new ATOM 723 N ASN A 779 -24.420 -25.119 -0.946 1.00 51.42 N ATOM 724 CA ASN A 779 -24.666 -24.986 -2.378 1.00 71.22 C ATOM 725 C ASN A 779 -25.852 -24.064 -2.643 1.00 15.54 C ATOM 726 O ASN A 779 -26.137 -23.716 -3.790 1.00 34.31 O ATOM 727 CB ASN A 779 -24.925 -26.360 -3.000 1.00 53.34 C ATOM 728 CG ASN A 779 -23.886 -26.729 -4.041 1.00 44.30 C ATOM 729 OD1 ASN A 779 -23.032 -27.583 -3.806 1.00 1.34 O ATOM 730 ND2 ASN A 779 -23.954 -26.083 -5.200 1.00 14.03 N ATOM 0 H ASN A 779 -25.258 -25.273 -0.386 1.00 51.42 H new ATOM 0 HA ASN A 779 -23.779 -24.548 -2.835 1.00 71.22 H new ATOM 0 HB2 ASN A 779 -24.933 -27.116 -2.215 1.00 53.34 H new ATOM 0 HB3 ASN A 779 -25.914 -26.367 -3.459 1.00 53.34 H new ATOM 0 HD21 ASN A 779 -23.281 -26.288 -5.938 1.00 14.03 H new ATOM 0 HD22 ASN A 779 -24.679 -25.382 -5.351 1.00 14.03 H new ATOM 737 N ILE A 780 -26.538 -23.669 -1.575 1.00 63.32 N ATOM 738 CA ILE A 780 -27.691 -22.785 -1.692 1.00 74.41 C ATOM 739 C ILE A 780 -27.392 -21.612 -2.620 1.00 13.15 C ATOM 740 O ILE A 780 -26.238 -21.275 -2.882 1.00 40.33 O ATOM 741 CB ILE A 780 -28.125 -22.242 -0.319 1.00 55.33 C ATOM 742 CG1 ILE A 780 -29.569 -22.651 -0.018 1.00 54.31 C ATOM 743 CG2 ILE A 780 -27.979 -20.728 -0.278 1.00 5.05 C ATOM 744 CD1 ILE A 780 -29.703 -23.555 1.187 1.00 4.13 C ATOM 0 H ILE A 780 -26.315 -23.947 -0.619 1.00 63.32 H new ATOM 0 HA ILE A 780 -28.503 -23.379 -2.111 1.00 74.41 H new ATOM 0 HB ILE A 780 -27.478 -22.671 0.446 1.00 55.33 H new ATOM 0 HG12 ILE A 780 -30.166 -21.753 0.143 1.00 54.31 H new ATOM 0 HG13 ILE A 780 -29.984 -23.157 -0.890 1.00 54.31 H new ATOM 0 HG21 ILE A 780 -28.290 -20.359 0.699 1.00 5.05 H new ATOM 0 HG22 ILE A 780 -26.938 -20.458 -0.454 1.00 5.05 H new ATOM 0 HG23 ILE A 780 -28.605 -20.281 -1.050 1.00 5.05 H new ATOM 0 HD11 ILE A 780 -30.753 -23.804 1.340 1.00 4.13 H new ATOM 0 HD12 ILE A 780 -29.134 -24.470 1.021 1.00 4.13 H new ATOM 0 HD13 ILE A 780 -29.319 -23.044 2.070 1.00 4.13 H new ATOM 756 N PRO A 781 -28.458 -20.974 -3.128 1.00 25.43 N ATOM 757 CA PRO A 781 -28.335 -19.827 -4.032 1.00 52.13 C ATOM 758 C PRO A 781 -27.806 -18.585 -3.324 1.00 44.51 C ATOM 759 O PRO A 781 -28.196 -17.463 -3.647 1.00 24.14 O ATOM 760 CB PRO A 781 -29.771 -19.598 -4.511 1.00 70.15 C ATOM 761 CG PRO A 781 -30.626 -20.159 -3.428 1.00 23.43 C ATOM 762 CD PRO A 781 -29.862 -21.323 -2.859 1.00 2.01 C ATOM 0 HA PRO A 781 -27.627 -20.018 -4.838 1.00 52.13 H new ATOM 0 HB2 PRO A 781 -29.972 -18.538 -4.665 1.00 70.15 H new ATOM 0 HB3 PRO A 781 -29.956 -20.099 -5.461 1.00 70.15 H new ATOM 0 HG2 PRO A 781 -30.826 -19.411 -2.661 1.00 23.43 H new ATOM 0 HG3 PRO A 781 -31.591 -20.480 -3.819 1.00 23.43 H new ATOM 0 HD2 PRO A 781 -30.049 -21.443 -1.792 1.00 2.01 H new ATOM 0 HD3 PRO A 781 -30.142 -22.261 -3.339 1.00 2.01 H new ATOM 770 N GLN A 782 -26.915 -18.793 -2.360 1.00 61.11 N ATOM 771 CA GLN A 782 -26.332 -17.689 -1.607 1.00 52.31 C ATOM 772 C GLN A 782 -25.163 -17.070 -2.366 1.00 13.52 C ATOM 773 O GLN A 782 -24.797 -15.918 -2.128 1.00 5.12 O ATOM 774 CB GLN A 782 -25.866 -18.171 -0.233 1.00 25.44 C ATOM 775 CG GLN A 782 -26.897 -17.968 0.866 1.00 61.10 C ATOM 776 CD GLN A 782 -26.643 -18.848 2.074 1.00 14.03 C ATOM 777 OE1 GLN A 782 -25.999 -19.893 1.972 1.00 44.41 O ATOM 778 NE2 GLN A 782 -27.150 -18.431 3.228 1.00 54.34 N ATOM 0 H GLN A 782 -26.581 -19.716 -2.082 1.00 61.11 H new ATOM 0 HA GLN A 782 -27.100 -16.927 -1.475 1.00 52.31 H new ATOM 0 HB2 GLN A 782 -25.617 -19.230 -0.294 1.00 25.44 H new ATOM 0 HB3 GLN A 782 -24.951 -17.643 0.037 1.00 25.44 H new ATOM 0 HG2 GLN A 782 -26.892 -16.923 1.175 1.00 61.10 H new ATOM 0 HG3 GLN A 782 -27.891 -18.179 0.470 1.00 61.10 H new ATOM 0 HE21 GLN A 782 -27.677 -17.559 3.268 1.00 54.34 H new ATOM 0 HE22 GLN A 782 -27.012 -18.983 4.075 1.00 54.34 H new ATOM 787 N TYR A 783 -24.583 -17.839 -3.278 1.00 71.23 N ATOM 788 CA TYR A 783 -23.454 -17.367 -4.071 1.00 22.24 C ATOM 789 C TYR A 783 -23.896 -16.303 -5.070 1.00 11.11 C ATOM 790 O TYR A 783 -23.206 -15.304 -5.278 1.00 41.13 O ATOM 791 CB TYR A 783 -22.798 -18.535 -4.809 1.00 44.01 C ATOM 792 CG TYR A 783 -21.902 -18.104 -5.949 1.00 34.13 C ATOM 793 CD1 TYR A 783 -22.404 -17.964 -7.237 1.00 12.52 C ATOM 794 CD2 TYR A 783 -20.555 -17.840 -5.738 1.00 63.44 C ATOM 795 CE1 TYR A 783 -21.590 -17.571 -8.281 1.00 64.21 C ATOM 796 CE2 TYR A 783 -19.733 -17.445 -6.777 1.00 61.30 C ATOM 797 CZ TYR A 783 -20.255 -17.312 -8.047 1.00 35.24 C ATOM 798 OH TYR A 783 -19.440 -16.921 -9.083 1.00 71.15 O ATOM 0 H TYR A 783 -24.876 -18.793 -3.488 1.00 71.23 H new ATOM 0 HA TYR A 783 -22.727 -16.921 -3.392 1.00 22.24 H new ATOM 0 HB2 TYR A 783 -22.213 -19.120 -4.099 1.00 44.01 H new ATOM 0 HB3 TYR A 783 -23.576 -19.191 -5.198 1.00 44.01 H new ATOM 0 HD1 TYR A 783 -23.448 -18.166 -7.425 1.00 12.52 H new ATOM 0 HD2 TYR A 783 -20.143 -17.945 -4.745 1.00 63.44 H new ATOM 0 HE1 TYR A 783 -21.996 -17.467 -9.276 1.00 64.21 H new ATOM 0 HE2 TYR A 783 -18.688 -17.242 -6.595 1.00 61.30 H new ATOM 0 HH TYR A 783 -18.530 -16.778 -8.748 1.00 71.15 H new ATOM 808 N LEU A 784 -25.052 -16.524 -5.686 1.00 1.12 N ATOM 809 CA LEU A 784 -25.590 -15.584 -6.664 1.00 3.34 C ATOM 810 C LEU A 784 -26.407 -14.493 -5.980 1.00 5.14 C ATOM 811 O LEU A 784 -26.542 -13.385 -6.499 1.00 72.20 O ATOM 812 CB LEU A 784 -26.456 -16.322 -7.685 1.00 54.44 C ATOM 813 CG LEU A 784 -26.551 -15.683 -9.072 1.00 41.32 C ATOM 814 CD1 LEU A 784 -25.170 -15.558 -9.696 1.00 41.45 C ATOM 815 CD2 LEU A 784 -27.473 -16.492 -9.971 1.00 74.31 C ATOM 0 H LEU A 784 -25.635 -17.346 -5.526 1.00 1.12 H new ATOM 0 HA LEU A 784 -24.752 -15.114 -7.179 1.00 3.34 H new ATOM 0 HB2 LEU A 784 -26.066 -17.333 -7.799 1.00 54.44 H new ATOM 0 HB3 LEU A 784 -27.463 -16.413 -7.279 1.00 54.44 H new ATOM 0 HG LEU A 784 -26.971 -14.683 -8.962 1.00 41.32 H new ATOM 0 HD11 LEU A 784 -25.256 -15.102 -10.682 1.00 41.45 H new ATOM 0 HD12 LEU A 784 -24.539 -14.935 -9.062 1.00 41.45 H new ATOM 0 HD13 LEU A 784 -24.723 -16.548 -9.792 1.00 41.45 H new ATOM 0 HD21 LEU A 784 -27.528 -16.022 -10.953 1.00 74.31 H new ATOM 0 HD22 LEU A 784 -27.083 -17.505 -10.075 1.00 74.31 H new ATOM 0 HD23 LEU A 784 -28.469 -16.530 -9.531 1.00 74.31 H new ATOM 827 N LYS A 785 -26.948 -14.813 -4.808 1.00 61.33 N ATOM 828 CA LYS A 785 -27.749 -13.860 -4.049 1.00 21.30 C ATOM 829 C LYS A 785 -29.003 -13.465 -4.823 1.00 23.52 C ATOM 830 O LYS A 785 -28.938 -12.682 -5.770 1.00 13.22 O ATOM 831 CB LYS A 785 -26.924 -12.613 -3.725 1.00 61.13 C ATOM 832 CG LYS A 785 -26.401 -12.584 -2.299 1.00 64.41 C ATOM 833 CD LYS A 785 -24.920 -12.920 -2.242 1.00 20.35 C ATOM 834 CE LYS A 785 -24.487 -13.295 -0.832 1.00 72.32 C ATOM 835 NZ LYS A 785 -23.177 -14.003 -0.824 1.00 33.44 N1+ ATOM 0 H LYS A 785 -26.846 -15.725 -4.364 1.00 61.33 H new ATOM 0 HA LYS A 785 -28.053 -14.339 -3.118 1.00 21.30 H new ATOM 0 HB2 LYS A 785 -26.081 -12.556 -4.414 1.00 61.13 H new ATOM 0 HB3 LYS A 785 -27.536 -11.728 -3.897 1.00 61.13 H new ATOM 0 HG2 LYS A 785 -26.568 -11.596 -1.869 1.00 64.41 H new ATOM 0 HG3 LYS A 785 -26.960 -13.295 -1.691 1.00 64.41 H new ATOM 0 HD2 LYS A 785 -24.707 -13.746 -2.921 1.00 20.35 H new ATOM 0 HD3 LYS A 785 -24.338 -12.065 -2.587 1.00 20.35 H new ATOM 0 HE2 LYS A 785 -24.417 -12.394 -0.222 1.00 72.32 H new ATOM 0 HE3 LYS A 785 -25.246 -13.930 -0.376 1.00 72.32 H new ATOM 0 HZ1 LYS A 785 -22.868 -14.151 0.158 1.00 33.44 H new ATOM 0 HZ2 LYS A 785 -23.277 -14.923 -1.298 1.00 33.44 H new ATOM 0 HZ3 LYS A 785 -22.470 -13.430 -1.326 1.00 33.44 H new ATOM 849 N MET A 786 -30.142 -14.013 -4.413 1.00 75.22 N ATOM 850 CA MET A 786 -31.411 -13.715 -5.066 1.00 60.42 C ATOM 851 C MET A 786 -31.935 -12.348 -4.639 1.00 13.41 C ATOM 852 O MET A 786 -32.311 -12.150 -3.483 1.00 12.34 O ATOM 853 CB MET A 786 -32.444 -14.795 -4.740 1.00 11.04 C ATOM 854 CG MET A 786 -32.615 -15.041 -3.250 1.00 12.34 C ATOM 855 SD MET A 786 -34.238 -14.541 -2.645 1.00 2.31 S ATOM 856 CE MET A 786 -35.308 -15.534 -3.682 1.00 60.20 C ATOM 0 H MET A 786 -30.212 -14.665 -3.632 1.00 75.22 H new ATOM 0 HA MET A 786 -31.241 -13.699 -6.143 1.00 60.42 H new ATOM 0 HB2 MET A 786 -33.405 -14.507 -5.165 1.00 11.04 H new ATOM 0 HB3 MET A 786 -32.148 -15.727 -5.222 1.00 11.04 H new ATOM 0 HG2 MET A 786 -32.464 -16.100 -3.041 1.00 12.34 H new ATOM 0 HG3 MET A 786 -31.845 -14.496 -2.705 1.00 12.34 H new ATOM 0 HE1 MET A 786 -36.210 -15.797 -3.129 1.00 60.20 H new ATOM 0 HE2 MET A 786 -35.581 -14.967 -4.572 1.00 60.20 H new ATOM 0 HE3 MET A 786 -34.786 -16.444 -3.978 1.00 60.20 H new TER 866 MET A 786