USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 615 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 835 ASN : amide:sc= 0.215 K(o=0.26,f=-3.6!) USER MOD Set 1.2: A 838 LYS NZ :NH3+ 155:sc= 0.0429 (180deg=0) USER MOD Set 2.1: A 782 THR OG1 : rot -66:sc= 0.436 USER MOD Set 2.2: A 819 GLN :FLIP amide:sc= 0.807 F(o=-0.69,f=1.6) USER MOD Set 2.3: A 850 ASN : amide:sc= 0.369 K(o=1.6,f=-0.95!) USER MOD Single : A 778 SER OG : rot 36:sc= 0.664 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= 0.0218 K(o=0.022,f=-2.8!) USER MOD Single : A 796 MET CE :methyl 160:sc= -0.12 (180deg=-0.645) USER MOD Single : A 799 ASN :FLIP amide:sc= -0.55 F(o=-2.1!,f=-0.55) USER MOD Single : A 800 SER OG : rot -85:sc= 1.26 USER MOD Single : A 801 LYS NZ :NH3+ -168:sc=-0.00552 (180deg=-0.202) USER MOD Single : A 803 SER OG : rot -84:sc= 0.511 USER MOD Single : A 804 ASN : amide:sc= -0.824! X(o=-0.82!,f=-0.63) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 806 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.078) USER MOD Single : A 807 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.72) USER MOD Single : A 808 ASN :FLIP amide:sc=-0.00351 F(o=-1.4,f=-0.0035) USER MOD Single : A 809 ASN : amide:sc= 0.0209 K(o=0.021,f=-3!) USER MOD Single : A 811 SER OG : rot -2:sc= 0.0795 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ -155:sc= 0.811 (180deg=0.332) USER MOD Single : A 817 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.348) USER MOD Single : A 818 TYR OH : rot 180:sc=-0.00224 USER MOD Single : A 830 SER OG : rot 78:sc= 1.19 USER MOD Single : A 840 MET CE :methyl -163:sc= -2.08 (180deg=-2.71!) USER MOD Single : A 844 ASN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 845 ASN : amide:sc= -0.252 K(o=-0.25,f=-2) USER MOD Single : A 847 LYS NZ :NH3+ -148:sc= -0.0834 (180deg=-2.34!) USER MOD Single : A 854 TYR OH : rot 110:sc= -0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 778 -8.079 -12.239 2.150 1.00 2.40 N ATOM 2 CA SER A 778 -6.752 -11.773 1.689 1.00 2.10 C ATOM 3 C SER A 778 -6.756 -11.463 0.201 1.00 1.16 C ATOM 4 O SER A 778 -5.832 -11.853 -0.516 1.00 1.09 O ATOM 5 CB SER A 778 -5.734 -12.867 1.992 1.00 2.58 C ATOM 6 OG SER A 778 -5.708 -13.163 3.377 1.00 3.17 O ATOM 0 HA SER A 778 -6.494 -10.851 2.211 1.00 2.10 H new ATOM 0 HB2 SER A 778 -5.982 -13.766 1.428 1.00 2.58 H new ATOM 0 HB3 SER A 778 -4.744 -12.549 1.665 1.00 2.58 H new ATOM 0 HG SER A 778 -6.613 -13.085 3.745 1.00 3.17 H new ATOM 14 N GLU A 779 -7.750 -10.701 -0.249 1.00 0.78 N ATOM 15 CA GLU A 779 -7.793 -10.284 -1.639 1.00 0.85 C ATOM 16 C GLU A 779 -6.576 -9.428 -1.959 1.00 0.75 C ATOM 17 O GLU A 779 -6.281 -8.455 -1.257 1.00 1.17 O ATOM 18 CB GLU A 779 -9.086 -9.521 -1.954 1.00 1.60 C ATOM 19 CG GLU A 779 -9.303 -8.277 -1.108 1.00 1.95 C ATOM 20 CD GLU A 779 -10.601 -7.566 -1.441 1.00 2.62 C ATOM 21 OE1 GLU A 779 -11.682 -8.166 -1.249 1.00 2.92 O ATOM 22 OE2 GLU A 779 -10.550 -6.398 -1.888 1.00 3.25 O ATOM 0 H GLU A 779 -8.525 -10.366 0.324 1.00 0.78 H new ATOM 0 HA GLU A 779 -7.777 -11.176 -2.265 1.00 0.85 H new ATOM 0 HB2 GLU A 779 -9.077 -9.234 -3.005 1.00 1.60 H new ATOM 0 HB3 GLU A 779 -9.933 -10.193 -1.815 1.00 1.60 H new ATOM 0 HG2 GLU A 779 -9.305 -8.554 -0.054 1.00 1.95 H new ATOM 0 HG3 GLU A 779 -8.469 -7.591 -1.256 1.00 1.95 H new ATOM 29 N ILE A 780 -5.791 -9.884 -2.919 1.00 0.62 N ATOM 30 CA ILE A 780 -4.559 -9.208 -3.272 1.00 0.43 C ATOM 31 C ILE A 780 -4.858 -7.966 -4.106 1.00 0.37 C ATOM 32 O ILE A 780 -5.747 -7.970 -4.963 1.00 0.49 O ATOM 33 CB ILE A 780 -3.581 -10.151 -4.020 1.00 0.45 C ATOM 34 CG1 ILE A 780 -2.283 -9.420 -4.389 1.00 0.75 C ATOM 35 CG2 ILE A 780 -4.236 -10.740 -5.263 1.00 0.74 C ATOM 36 CD1 ILE A 780 -1.462 -8.990 -3.189 1.00 0.51 C ATOM 0 H ILE A 780 -5.987 -10.721 -3.468 1.00 0.62 H new ATOM 0 HA ILE A 780 -4.070 -8.901 -2.348 1.00 0.43 H new ATOM 0 HB ILE A 780 -3.329 -10.970 -3.346 1.00 0.45 H new ATOM 0 HG12 ILE A 780 -1.676 -10.071 -5.018 1.00 0.75 H new ATOM 0 HG13 ILE A 780 -2.529 -8.540 -4.984 1.00 0.75 H new ATOM 0 HG21 ILE A 780 -3.530 -11.398 -5.770 1.00 0.74 H new ATOM 0 HG22 ILE A 780 -5.119 -11.310 -4.974 1.00 0.74 H new ATOM 0 HG23 ILE A 780 -4.529 -9.934 -5.936 1.00 0.74 H new ATOM 0 HD11 ILE A 780 -0.560 -8.480 -3.529 1.00 0.51 H new ATOM 0 HD12 ILE A 780 -2.050 -8.313 -2.570 1.00 0.51 H new ATOM 0 HD13 ILE A 780 -1.185 -9.867 -2.605 1.00 0.51 H new ATOM 48 N PHE A 781 -4.160 -6.896 -3.788 1.00 0.28 N ATOM 49 CA PHE A 781 -4.357 -5.610 -4.432 1.00 0.26 C ATOM 50 C PHE A 781 -3.019 -5.099 -4.930 1.00 0.22 C ATOM 51 O PHE A 781 -1.979 -5.472 -4.397 1.00 0.21 O ATOM 52 CB PHE A 781 -4.989 -4.621 -3.445 1.00 0.29 C ATOM 53 CG PHE A 781 -5.219 -3.250 -4.012 1.00 0.34 C ATOM 54 CD1 PHE A 781 -5.899 -3.091 -5.204 1.00 0.41 C ATOM 55 CD2 PHE A 781 -4.766 -2.122 -3.349 1.00 0.37 C ATOM 56 CE1 PHE A 781 -6.129 -1.839 -5.728 1.00 0.50 C ATOM 57 CE2 PHE A 781 -4.994 -0.864 -3.867 1.00 0.44 C ATOM 58 CZ PHE A 781 -5.611 -0.712 -5.057 1.00 0.52 C ATOM 0 H PHE A 781 -3.435 -6.892 -3.071 1.00 0.28 H new ATOM 0 HA PHE A 781 -5.034 -5.717 -5.280 1.00 0.26 H new ATOM 0 HB2 PHE A 781 -5.942 -5.025 -3.103 1.00 0.29 H new ATOM 0 HB3 PHE A 781 -4.345 -4.537 -2.569 1.00 0.29 H new ATOM 0 HD1 PHE A 781 -6.256 -3.962 -5.733 1.00 0.41 H new ATOM 0 HD2 PHE A 781 -4.229 -2.228 -2.418 1.00 0.37 H new ATOM 0 HE1 PHE A 781 -6.697 -1.722 -6.639 1.00 0.50 H new ATOM 0 HE2 PHE A 781 -4.675 0.008 -3.315 1.00 0.44 H new ATOM 0 HZ PHE A 781 -5.708 0.271 -5.495 1.00 0.52 H new ATOM 68 N THR A 782 -3.031 -4.405 -6.049 1.00 0.23 N ATOM 69 CA THR A 782 -1.800 -4.006 -6.695 1.00 0.23 C ATOM 70 C THR A 782 -1.797 -2.508 -6.961 1.00 0.23 C ATOM 71 O THR A 782 -2.797 -1.931 -7.393 1.00 0.25 O ATOM 72 CB THR A 782 -1.609 -4.779 -8.012 1.00 0.29 C ATOM 73 OG1 THR A 782 -1.542 -6.188 -7.742 1.00 1.39 O ATOM 74 CG2 THR A 782 -0.350 -4.331 -8.734 1.00 1.34 C ATOM 0 H THR A 782 -3.880 -4.106 -6.529 1.00 0.23 H new ATOM 0 HA THR A 782 -0.971 -4.242 -6.028 1.00 0.23 H new ATOM 0 HB THR A 782 -2.462 -4.570 -8.657 1.00 0.29 H new ATOM 0 HG1 THR A 782 -0.732 -6.384 -7.226 1.00 1.39 H new ATOM 0 HG21 THR A 782 -0.242 -4.895 -9.661 1.00 1.34 H new ATOM 0 HG22 THR A 782 -0.420 -3.268 -8.962 1.00 1.34 H new ATOM 0 HG23 THR A 782 0.517 -4.509 -8.098 1.00 1.34 H new ATOM 82 N LEU A 783 -0.714 -1.876 -6.548 1.00 0.22 N ATOM 83 CA LEU A 783 -0.594 -0.434 -6.580 1.00 0.21 C ATOM 84 C LEU A 783 0.868 -0.059 -6.780 1.00 0.21 C ATOM 85 O LEU A 783 1.755 -0.809 -6.390 1.00 0.23 O ATOM 86 CB LEU A 783 -1.135 0.153 -5.272 1.00 0.26 C ATOM 87 CG LEU A 783 -1.404 1.653 -5.287 1.00 0.35 C ATOM 88 CD1 LEU A 783 -2.395 2.009 -6.385 1.00 0.83 C ATOM 89 CD2 LEU A 783 -1.928 2.105 -3.936 1.00 0.61 C ATOM 0 H LEU A 783 0.109 -2.352 -6.180 1.00 0.22 H new ATOM 0 HA LEU A 783 -1.176 -0.027 -7.407 1.00 0.21 H new ATOM 0 HB2 LEU A 783 -2.062 -0.362 -5.019 1.00 0.26 H new ATOM 0 HB3 LEU A 783 -0.423 -0.063 -4.475 1.00 0.26 H new ATOM 0 HG LEU A 783 -0.466 2.170 -5.491 1.00 0.35 H new ATOM 0 HD11 LEU A 783 -2.574 3.084 -6.379 1.00 0.83 H new ATOM 0 HD12 LEU A 783 -1.988 1.714 -7.352 1.00 0.83 H new ATOM 0 HD13 LEU A 783 -3.334 1.484 -6.211 1.00 0.83 H new ATOM 0 HD21 LEU A 783 -2.116 3.178 -3.959 1.00 0.61 H new ATOM 0 HD22 LEU A 783 -2.856 1.579 -3.711 1.00 0.61 H new ATOM 0 HD23 LEU A 783 -1.189 1.883 -3.166 1.00 0.61 H new ATOM 101 N LEU A 784 1.135 1.026 -7.476 1.00 0.20 N ATOM 102 CA LEU A 784 2.511 1.380 -7.770 1.00 0.22 C ATOM 103 C LEU A 784 2.775 2.811 -7.322 1.00 0.21 C ATOM 104 O LEU A 784 2.053 3.733 -7.694 1.00 0.23 O ATOM 105 CB LEU A 784 2.788 1.195 -9.268 1.00 0.29 C ATOM 106 CG LEU A 784 4.262 1.023 -9.658 1.00 0.91 C ATOM 107 CD1 LEU A 784 4.377 0.328 -11.007 1.00 1.53 C ATOM 108 CD2 LEU A 784 4.967 2.365 -9.705 1.00 1.45 C ATOM 0 H LEU A 784 0.433 1.669 -7.844 1.00 0.20 H new ATOM 0 HA LEU A 784 3.189 0.724 -7.224 1.00 0.22 H new ATOM 0 HB2 LEU A 784 2.236 0.322 -9.615 1.00 0.29 H new ATOM 0 HB3 LEU A 784 2.389 2.058 -9.801 1.00 0.29 H new ATOM 0 HG LEU A 784 4.743 0.405 -8.899 1.00 0.91 H new ATOM 0 HD11 LEU A 784 5.429 0.214 -11.269 1.00 1.53 H new ATOM 0 HD12 LEU A 784 3.908 -0.654 -10.951 1.00 1.53 H new ATOM 0 HD13 LEU A 784 3.876 0.926 -11.768 1.00 1.53 H new ATOM 0 HD21 LEU A 784 6.011 2.218 -9.984 1.00 1.45 H new ATOM 0 HD22 LEU A 784 4.482 3.005 -10.441 1.00 1.45 H new ATOM 0 HD23 LEU A 784 4.916 2.837 -8.724 1.00 1.45 H new ATOM 120 N VAL A 785 3.694 2.943 -6.376 1.00 0.22 N ATOM 121 CA VAL A 785 3.933 4.211 -5.700 1.00 0.25 C ATOM 122 C VAL A 785 4.579 5.245 -6.626 1.00 0.34 C ATOM 123 O VAL A 785 5.352 4.904 -7.528 1.00 0.79 O ATOM 124 CB VAL A 785 4.798 4.018 -4.432 1.00 0.28 C ATOM 125 CG1 VAL A 785 4.179 2.967 -3.525 1.00 0.95 C ATOM 126 CG2 VAL A 785 6.224 3.639 -4.786 1.00 1.10 C ATOM 0 H VAL A 785 4.291 2.180 -6.057 1.00 0.22 H new ATOM 0 HA VAL A 785 2.957 4.593 -5.402 1.00 0.25 H new ATOM 0 HB VAL A 785 4.829 4.969 -3.901 1.00 0.28 H new ATOM 0 HG11 VAL A 785 4.799 2.842 -2.637 1.00 0.95 H new ATOM 0 HG12 VAL A 785 3.180 3.285 -3.228 1.00 0.95 H new ATOM 0 HG13 VAL A 785 4.114 2.019 -4.058 1.00 0.95 H new ATOM 0 HG21 VAL A 785 6.804 3.511 -3.872 1.00 1.10 H new ATOM 0 HG22 VAL A 785 6.223 2.706 -5.349 1.00 1.10 H new ATOM 0 HG23 VAL A 785 6.670 4.428 -5.392 1.00 1.10 H new ATOM 136 N GLU A 786 4.234 6.504 -6.403 1.00 0.69 N ATOM 137 CA GLU A 786 4.761 7.609 -7.189 1.00 0.81 C ATOM 138 C GLU A 786 4.731 8.887 -6.356 1.00 0.87 C ATOM 139 O GLU A 786 4.023 8.946 -5.354 1.00 1.56 O ATOM 140 CB GLU A 786 3.959 7.784 -8.487 1.00 0.99 C ATOM 141 CG GLU A 786 2.485 8.095 -8.273 1.00 1.51 C ATOM 142 CD GLU A 786 1.698 8.075 -9.566 1.00 2.26 C ATOM 143 OE1 GLU A 786 1.525 6.984 -10.148 1.00 2.59 O ATOM 144 OE2 GLU A 786 1.231 9.146 -10.002 1.00 3.06 O ATOM 0 H GLU A 786 3.581 6.788 -5.673 1.00 0.69 H new ATOM 0 HA GLU A 786 5.793 7.390 -7.464 1.00 0.81 H new ATOM 0 HB2 GLU A 786 4.407 8.587 -9.072 1.00 0.99 H new ATOM 0 HB3 GLU A 786 4.044 6.873 -9.079 1.00 0.99 H new ATOM 0 HG2 GLU A 786 2.060 7.368 -7.581 1.00 1.51 H new ATOM 0 HG3 GLU A 786 2.387 9.075 -7.806 1.00 1.51 H new ATOM 151 N LYS A 787 5.590 9.845 -6.713 1.00 0.91 N ATOM 152 CA LYS A 787 5.755 11.119 -5.985 1.00 1.01 C ATOM 153 C LYS A 787 5.898 10.925 -4.470 1.00 0.96 C ATOM 154 O LYS A 787 5.523 11.807 -3.689 1.00 1.58 O ATOM 155 CB LYS A 787 4.625 12.124 -6.302 1.00 1.17 C ATOM 156 CG LYS A 787 3.222 11.695 -5.890 1.00 1.21 C ATOM 157 CD LYS A 787 2.254 12.867 -5.913 1.00 1.35 C ATOM 158 CE LYS A 787 0.821 12.421 -5.663 1.00 1.27 C ATOM 159 NZ LYS A 787 0.213 11.792 -6.867 1.00 1.80 N ATOM 0 H LYS A 787 6.201 9.763 -7.525 1.00 0.91 H new ATOM 0 HA LYS A 787 6.692 11.542 -6.347 1.00 1.01 H new ATOM 0 HB2 LYS A 787 4.855 13.068 -5.809 1.00 1.17 H new ATOM 0 HB3 LYS A 787 4.626 12.316 -7.375 1.00 1.17 H new ATOM 0 HG2 LYS A 787 2.866 10.914 -6.563 1.00 1.21 H new ATOM 0 HG3 LYS A 787 3.251 11.265 -4.889 1.00 1.21 H new ATOM 0 HD2 LYS A 787 2.546 13.594 -5.155 1.00 1.35 H new ATOM 0 HD3 LYS A 787 2.315 13.370 -6.878 1.00 1.35 H new ATOM 0 HE2 LYS A 787 0.801 11.712 -4.835 1.00 1.27 H new ATOM 0 HE3 LYS A 787 0.222 13.280 -5.361 1.00 1.27 H new ATOM 0 HZ1 LYS A 787 -0.763 11.503 -6.652 1.00 1.80 H new ATOM 0 HZ2 LYS A 787 0.207 12.476 -7.651 1.00 1.80 H new ATOM 0 HZ3 LYS A 787 0.769 10.957 -7.141 1.00 1.80 H new ATOM 173 N VAL A 788 6.535 9.817 -4.080 1.00 0.66 N ATOM 174 CA VAL A 788 6.829 9.516 -2.677 1.00 0.61 C ATOM 175 C VAL A 788 5.604 9.729 -1.784 1.00 0.70 C ATOM 176 O VAL A 788 5.506 10.729 -1.071 1.00 1.70 O ATOM 177 CB VAL A 788 8.017 10.352 -2.146 1.00 0.70 C ATOM 178 CG1 VAL A 788 8.470 9.836 -0.787 1.00 0.87 C ATOM 179 CG2 VAL A 788 9.176 10.328 -3.135 1.00 1.21 C ATOM 0 H VAL A 788 6.862 9.102 -4.730 1.00 0.66 H new ATOM 0 HA VAL A 788 7.106 8.462 -2.640 1.00 0.61 H new ATOM 0 HB VAL A 788 7.683 11.383 -2.031 1.00 0.70 H new ATOM 0 HG11 VAL A 788 9.306 10.437 -0.430 1.00 0.87 H new ATOM 0 HG12 VAL A 788 7.645 9.905 -0.078 1.00 0.87 H new ATOM 0 HG13 VAL A 788 8.783 8.796 -0.879 1.00 0.87 H new ATOM 0 HG21 VAL A 788 10.001 10.922 -2.743 1.00 1.21 H new ATOM 0 HG22 VAL A 788 9.507 9.300 -3.283 1.00 1.21 H new ATOM 0 HG23 VAL A 788 8.850 10.745 -4.088 1.00 1.21 H new ATOM 189 N TRP A 789 4.639 8.824 -1.895 1.00 0.50 N ATOM 190 CA TRP A 789 3.381 8.922 -1.156 1.00 0.33 C ATOM 191 C TRP A 789 3.605 9.069 0.347 1.00 0.29 C ATOM 192 O TRP A 789 4.210 8.204 0.977 1.00 0.34 O ATOM 193 CB TRP A 789 2.537 7.674 -1.411 1.00 0.32 C ATOM 194 CG TRP A 789 1.914 7.633 -2.769 1.00 0.34 C ATOM 195 CD1 TRP A 789 1.694 8.688 -3.603 1.00 0.39 C ATOM 196 CD2 TRP A 789 1.435 6.474 -3.456 1.00 0.34 C ATOM 197 NE1 TRP A 789 1.089 8.258 -4.755 1.00 0.42 N ATOM 198 CE2 TRP A 789 0.921 6.905 -4.688 1.00 0.39 C ATOM 199 CE3 TRP A 789 1.382 5.115 -3.148 1.00 0.34 C ATOM 200 CZ2 TRP A 789 0.364 6.033 -5.611 1.00 0.44 C ATOM 201 CZ3 TRP A 789 0.830 4.246 -4.065 1.00 0.40 C ATOM 202 CH2 TRP A 789 0.324 4.711 -5.285 1.00 0.44 C ATOM 0 H TRP A 789 4.704 8.003 -2.497 1.00 0.50 H new ATOM 0 HA TRP A 789 2.866 9.815 -1.510 1.00 0.33 H new ATOM 0 HB2 TRP A 789 3.163 6.791 -1.282 1.00 0.32 H new ATOM 0 HB3 TRP A 789 1.750 7.619 -0.659 1.00 0.32 H new ATOM 0 HD1 TRP A 789 1.958 9.713 -3.388 1.00 0.39 H new ATOM 0 HE1 TRP A 789 0.810 8.852 -5.536 1.00 0.42 H new ATOM 0 HE3 TRP A 789 1.767 4.750 -2.207 1.00 0.34 H new ATOM 0 HZ2 TRP A 789 -0.024 6.389 -6.554 1.00 0.44 H new ATOM 0 HZ3 TRP A 789 0.787 3.191 -3.839 1.00 0.40 H new ATOM 0 HH2 TRP A 789 -0.107 4.007 -5.982 1.00 0.44 H new ATOM 213 N ASN A 790 3.023 10.108 0.936 1.00 0.29 N ATOM 214 CA ASN A 790 3.103 10.320 2.384 1.00 0.32 C ATOM 215 C ASN A 790 2.037 9.502 3.117 1.00 0.37 C ATOM 216 O ASN A 790 1.428 9.974 4.077 1.00 0.82 O ATOM 217 CB ASN A 790 2.950 11.810 2.723 1.00 0.39 C ATOM 218 CG ASN A 790 1.565 12.352 2.421 1.00 1.20 C ATOM 219 OD1 ASN A 790 1.084 12.273 1.290 1.00 2.06 O ATOM 220 ND2 ASN A 790 0.911 12.894 3.437 1.00 1.79 N ATOM 0 H ASN A 790 2.489 10.819 0.436 1.00 0.29 H new ATOM 0 HA ASN A 790 4.085 9.984 2.717 1.00 0.32 H new ATOM 0 HB2 ASN A 790 3.169 11.960 3.780 1.00 0.39 H new ATOM 0 HB3 ASN A 790 3.688 12.382 2.160 1.00 0.39 H new ATOM 0 HD21 ASN A 790 -0.029 13.266 3.298 1.00 1.79 H new ATOM 0 HD22 ASN A 790 1.347 12.939 4.358 1.00 1.79 H new ATOM 227 N PHE A 791 1.807 8.281 2.626 1.00 0.30 N ATOM 228 CA PHE A 791 0.814 7.354 3.183 1.00 0.25 C ATOM 229 C PHE A 791 -0.610 7.801 2.855 1.00 0.23 C ATOM 230 O PHE A 791 -1.402 7.013 2.357 1.00 0.21 O ATOM 231 CB PHE A 791 0.994 7.193 4.696 1.00 0.28 C ATOM 232 CG PHE A 791 0.123 6.136 5.321 1.00 0.30 C ATOM 233 CD1 PHE A 791 0.082 4.849 4.803 1.00 0.30 C ATOM 234 CD2 PHE A 791 -0.644 6.426 6.438 1.00 0.42 C ATOM 235 CE1 PHE A 791 -0.707 3.878 5.387 1.00 0.36 C ATOM 236 CE2 PHE A 791 -1.433 5.457 7.025 1.00 0.47 C ATOM 237 CZ PHE A 791 -1.465 4.182 6.498 1.00 0.42 C ATOM 0 H PHE A 791 2.309 7.903 1.823 1.00 0.30 H new ATOM 0 HA PHE A 791 0.978 6.383 2.716 1.00 0.25 H new ATOM 0 HB2 PHE A 791 2.037 6.954 4.901 1.00 0.28 H new ATOM 0 HB3 PHE A 791 0.786 8.148 5.177 1.00 0.28 H new ATOM 0 HD1 PHE A 791 0.674 4.604 3.933 1.00 0.30 H new ATOM 0 HD2 PHE A 791 -0.624 7.422 6.855 1.00 0.42 H new ATOM 0 HE1 PHE A 791 -0.730 2.881 4.974 1.00 0.36 H new ATOM 0 HE2 PHE A 791 -2.025 5.697 7.896 1.00 0.47 H new ATOM 0 HZ PHE A 791 -2.083 3.423 6.955 1.00 0.42 H new ATOM 247 N ASP A 792 -0.905 9.078 3.078 1.00 0.26 N ATOM 248 CA ASP A 792 -2.220 9.641 2.760 1.00 0.29 C ATOM 249 C ASP A 792 -2.529 9.457 1.278 1.00 0.25 C ATOM 250 O ASP A 792 -3.579 8.933 0.910 1.00 0.26 O ATOM 251 CB ASP A 792 -2.258 11.132 3.102 1.00 0.38 C ATOM 252 CG ASP A 792 -3.655 11.721 3.023 1.00 1.13 C ATOM 253 OD1 ASP A 792 -4.641 10.960 3.126 1.00 1.74 O ATOM 254 OD2 ASP A 792 -3.773 12.960 2.905 1.00 1.86 O ATOM 0 H ASP A 792 -0.250 9.748 3.480 1.00 0.26 H new ATOM 0 HA ASP A 792 -2.969 9.116 3.354 1.00 0.29 H new ATOM 0 HB2 ASP A 792 -1.864 11.279 4.107 1.00 0.38 H new ATOM 0 HB3 ASP A 792 -1.602 11.673 2.420 1.00 0.38 H new ATOM 259 N ASP A 793 -1.557 9.809 0.439 1.00 0.24 N ATOM 260 CA ASP A 793 -1.674 9.641 -1.012 1.00 0.23 C ATOM 261 C ASP A 793 -1.839 8.171 -1.373 1.00 0.19 C ATOM 262 O ASP A 793 -2.656 7.810 -2.219 1.00 0.18 O ATOM 263 CB ASP A 793 -0.436 10.199 -1.718 1.00 0.28 C ATOM 264 CG ASP A 793 -0.431 11.713 -1.833 1.00 0.75 C ATOM 265 OD1 ASP A 793 -1.415 12.357 -1.414 1.00 1.16 O ATOM 266 OD2 ASP A 793 0.563 12.265 -2.348 1.00 1.36 O ATOM 0 H ASP A 793 -0.672 10.216 0.740 1.00 0.24 H new ATOM 0 HA ASP A 793 -2.556 10.190 -1.342 1.00 0.23 H new ATOM 0 HB2 ASP A 793 0.455 9.881 -1.176 1.00 0.28 H new ATOM 0 HB3 ASP A 793 -0.372 9.767 -2.717 1.00 0.28 H new ATOM 271 N LEU A 794 -1.076 7.330 -0.689 1.00 0.18 N ATOM 272 CA LEU A 794 -1.133 5.890 -0.886 1.00 0.17 C ATOM 273 C LEU A 794 -2.516 5.350 -0.521 1.00 0.16 C ATOM 274 O LEU A 794 -3.124 4.614 -1.295 1.00 0.16 O ATOM 275 CB LEU A 794 -0.024 5.223 -0.052 1.00 0.19 C ATOM 276 CG LEU A 794 -0.291 3.788 0.410 1.00 0.19 C ATOM 277 CD1 LEU A 794 -0.286 2.823 -0.765 1.00 0.22 C ATOM 278 CD2 LEU A 794 0.737 3.360 1.443 1.00 0.22 C ATOM 0 H LEU A 794 -0.402 7.627 0.016 1.00 0.18 H new ATOM 0 HA LEU A 794 -0.966 5.656 -1.938 1.00 0.17 H new ATOM 0 HB2 LEU A 794 0.895 5.228 -0.639 1.00 0.19 H new ATOM 0 HB3 LEU A 794 0.157 5.838 0.830 1.00 0.19 H new ATOM 0 HG LEU A 794 -1.280 3.764 0.867 1.00 0.19 H new ATOM 0 HD11 LEU A 794 -0.478 1.812 -0.406 1.00 0.22 H new ATOM 0 HD12 LEU A 794 -1.062 3.110 -1.475 1.00 0.22 H new ATOM 0 HD13 LEU A 794 0.686 2.855 -1.258 1.00 0.22 H new ATOM 0 HD21 LEU A 794 0.531 2.338 1.759 1.00 0.22 H new ATOM 0 HD22 LEU A 794 1.734 3.411 1.006 1.00 0.22 H new ATOM 0 HD23 LEU A 794 0.684 4.024 2.306 1.00 0.22 H new ATOM 290 N ILE A 795 -3.029 5.766 0.630 1.00 0.18 N ATOM 291 CA ILE A 795 -4.351 5.345 1.079 1.00 0.20 C ATOM 292 C ILE A 795 -5.437 5.843 0.131 1.00 0.19 C ATOM 293 O ILE A 795 -6.345 5.094 -0.216 1.00 0.20 O ATOM 294 CB ILE A 795 -4.648 5.832 2.517 1.00 0.28 C ATOM 295 CG1 ILE A 795 -3.691 5.172 3.514 1.00 0.51 C ATOM 296 CG2 ILE A 795 -6.096 5.547 2.899 1.00 0.51 C ATOM 297 CD1 ILE A 795 -3.778 3.661 3.532 1.00 0.48 C ATOM 0 H ILE A 795 -2.548 6.397 1.272 1.00 0.18 H new ATOM 0 HA ILE A 795 -4.354 4.255 1.079 1.00 0.20 H new ATOM 0 HB ILE A 795 -4.494 6.911 2.549 1.00 0.28 H new ATOM 0 HG12 ILE A 795 -2.669 5.465 3.272 1.00 0.51 H new ATOM 0 HG13 ILE A 795 -3.903 5.551 4.514 1.00 0.51 H new ATOM 0 HG21 ILE A 795 -6.280 5.898 3.914 1.00 0.51 H new ATOM 0 HG22 ILE A 795 -6.763 6.064 2.209 1.00 0.51 H new ATOM 0 HG23 ILE A 795 -6.282 4.474 2.847 1.00 0.51 H new ATOM 0 HD11 ILE A 795 -3.072 3.265 4.261 1.00 0.48 H new ATOM 0 HD12 ILE A 795 -4.789 3.358 3.804 1.00 0.48 H new ATOM 0 HD13 ILE A 795 -3.536 3.271 2.543 1.00 0.48 H new ATOM 309 N MET A 796 -5.317 7.090 -0.317 1.00 0.22 N ATOM 310 CA MET A 796 -6.290 7.663 -1.249 1.00 0.26 C ATOM 311 C MET A 796 -6.322 6.881 -2.558 1.00 0.22 C ATOM 312 O MET A 796 -7.398 6.573 -3.075 1.00 0.23 O ATOM 313 CB MET A 796 -5.987 9.138 -1.520 1.00 0.38 C ATOM 314 CG MET A 796 -6.286 10.042 -0.337 1.00 0.93 C ATOM 315 SD MET A 796 -5.979 11.785 -0.685 1.00 2.03 S ATOM 316 CE MET A 796 -7.198 12.096 -1.963 1.00 2.69 C ATOM 0 H MET A 796 -4.561 7.722 -0.053 1.00 0.22 H new ATOM 0 HA MET A 796 -7.273 7.593 -0.783 1.00 0.26 H new ATOM 0 HB2 MET A 796 -4.936 9.242 -1.791 1.00 0.38 H new ATOM 0 HB3 MET A 796 -6.571 9.470 -2.378 1.00 0.38 H new ATOM 0 HG2 MET A 796 -7.328 9.914 -0.044 1.00 0.93 H new ATOM 0 HG3 MET A 796 -5.676 9.734 0.512 1.00 0.93 H new ATOM 0 HE1 MET A 796 -7.386 13.167 -2.034 1.00 2.69 H new ATOM 0 HE2 MET A 796 -6.824 11.729 -2.919 1.00 2.69 H new ATOM 0 HE3 MET A 796 -8.126 11.581 -1.714 1.00 2.69 H new ATOM 326 N ALA A 797 -5.146 6.489 -3.048 1.00 0.21 N ATOM 327 CA ALA A 797 -5.056 5.658 -4.244 1.00 0.22 C ATOM 328 C ALA A 797 -5.715 4.308 -4.000 1.00 0.21 C ATOM 329 O ALA A 797 -6.505 3.836 -4.818 1.00 0.26 O ATOM 330 CB ALA A 797 -3.605 5.467 -4.665 1.00 0.27 C ATOM 0 H ALA A 797 -4.246 6.734 -2.635 1.00 0.21 H new ATOM 0 HA ALA A 797 -5.582 6.167 -5.052 1.00 0.22 H new ATOM 0 HB1 ALA A 797 -3.564 4.844 -5.559 1.00 0.27 H new ATOM 0 HB2 ALA A 797 -3.157 6.438 -4.879 1.00 0.27 H new ATOM 0 HB3 ALA A 797 -3.053 4.982 -3.860 1.00 0.27 H new ATOM 336 N ILE A 798 -5.441 3.733 -2.834 1.00 0.20 N ATOM 337 CA ILE A 798 -6.046 2.469 -2.438 1.00 0.26 C ATOM 338 C ILE A 798 -7.563 2.597 -2.364 1.00 0.27 C ATOM 339 O ILE A 798 -8.293 1.783 -2.928 1.00 0.33 O ATOM 340 CB ILE A 798 -5.519 1.992 -1.064 1.00 0.31 C ATOM 341 CG1 ILE A 798 -4.024 1.688 -1.131 1.00 0.32 C ATOM 342 CG2 ILE A 798 -6.283 0.764 -0.603 1.00 0.43 C ATOM 343 CD1 ILE A 798 -3.431 1.261 0.195 1.00 0.67 C ATOM 0 H ILE A 798 -4.800 4.126 -2.144 1.00 0.20 H new ATOM 0 HA ILE A 798 -5.773 1.735 -3.196 1.00 0.26 H new ATOM 0 HB ILE A 798 -5.674 2.795 -0.343 1.00 0.31 H new ATOM 0 HG12 ILE A 798 -3.855 0.900 -1.865 1.00 0.32 H new ATOM 0 HG13 ILE A 798 -3.497 2.574 -1.486 1.00 0.32 H new ATOM 0 HG21 ILE A 798 -5.901 0.440 0.365 1.00 0.43 H new ATOM 0 HG22 ILE A 798 -7.342 1.007 -0.513 1.00 0.43 H new ATOM 0 HG23 ILE A 798 -6.156 -0.038 -1.330 1.00 0.43 H new ATOM 0 HD11 ILE A 798 -2.367 1.062 0.070 1.00 0.67 H new ATOM 0 HD12 ILE A 798 -3.568 2.056 0.928 1.00 0.67 H new ATOM 0 HD13 ILE A 798 -3.931 0.357 0.543 1.00 0.67 H new ATOM 355 N ASN A 799 -8.026 3.606 -1.634 1.00 0.27 N ATOM 356 CA ASN A 799 -9.453 3.826 -1.427 1.00 0.33 C ATOM 357 C ASN A 799 -10.193 3.971 -2.747 1.00 0.31 C ATOM 358 O ASN A 799 -11.208 3.321 -2.961 1.00 0.40 O ATOM 359 CB ASN A 799 -9.698 5.075 -0.574 1.00 0.40 C ATOM 360 CG ASN A 799 -9.340 4.893 0.890 1.00 0.55 C ATOM 361 OD1 ASN A 799 -8.964 3.682 1.277 1.00 1.21 O flip ATOM 362 ND2 ASN A 799 -9.414 5.835 1.673 1.00 0.70 N flip ATOM 0 H ASN A 799 -7.427 4.290 -1.172 1.00 0.27 H new ATOM 0 HA ASN A 799 -9.836 2.950 -0.904 1.00 0.33 H new ATOM 0 HB2 ASN A 799 -9.117 5.902 -0.981 1.00 0.40 H new ATOM 0 HB3 ASN A 799 -10.748 5.356 -0.650 1.00 0.40 H new ATOM 0 HD21 ASN A 799 -9.707 6.753 1.340 1.00 0.70 H new ATOM 0 HD22 ASN A 799 -9.182 5.700 2.657 1.00 0.70 H new ATOM 369 N SER A 800 -9.694 4.836 -3.617 1.00 0.30 N ATOM 370 CA SER A 800 -10.350 5.095 -4.890 1.00 0.35 C ATOM 371 C SER A 800 -10.338 3.859 -5.788 1.00 0.33 C ATOM 372 O SER A 800 -11.353 3.509 -6.394 1.00 0.41 O ATOM 373 CB SER A 800 -9.678 6.279 -5.593 1.00 0.44 C ATOM 374 OG SER A 800 -8.264 6.144 -5.590 1.00 1.29 O ATOM 0 H SER A 800 -8.838 5.370 -3.465 1.00 0.30 H new ATOM 0 HA SER A 800 -11.392 5.344 -4.690 1.00 0.35 H new ATOM 0 HB2 SER A 800 -10.037 6.347 -6.620 1.00 0.44 H new ATOM 0 HB3 SER A 800 -9.958 7.207 -5.095 1.00 0.44 H new ATOM 0 HG SER A 800 -7.904 6.495 -4.749 1.00 1.29 H new ATOM 380 N LYS A 801 -9.180 3.226 -5.898 1.00 0.29 N ATOM 381 CA LYS A 801 -9.011 2.083 -6.786 1.00 0.36 C ATOM 382 C LYS A 801 -9.801 0.865 -6.296 1.00 0.43 C ATOM 383 O LYS A 801 -10.409 0.150 -7.094 1.00 0.58 O ATOM 384 CB LYS A 801 -7.527 1.751 -6.904 1.00 0.43 C ATOM 385 CG LYS A 801 -7.171 0.863 -8.083 1.00 0.86 C ATOM 386 CD LYS A 801 -5.666 0.691 -8.197 1.00 1.06 C ATOM 387 CE LYS A 801 -5.281 -0.174 -9.385 1.00 1.13 C ATOM 388 NZ LYS A 801 -5.903 -1.524 -9.323 1.00 1.95 N ATOM 0 H LYS A 801 -8.339 3.485 -5.382 1.00 0.29 H new ATOM 0 HA LYS A 801 -9.405 2.346 -7.768 1.00 0.36 H new ATOM 0 HB2 LYS A 801 -6.965 2.682 -6.984 1.00 0.43 H new ATOM 0 HB3 LYS A 801 -7.203 1.261 -5.986 1.00 0.43 H new ATOM 0 HG2 LYS A 801 -7.645 -0.112 -7.965 1.00 0.86 H new ATOM 0 HG3 LYS A 801 -7.562 1.298 -9.003 1.00 0.86 H new ATOM 0 HD2 LYS A 801 -5.195 1.669 -8.293 1.00 1.06 H new ATOM 0 HD3 LYS A 801 -5.282 0.241 -7.281 1.00 1.06 H new ATOM 0 HE2 LYS A 801 -5.585 0.322 -10.307 1.00 1.13 H new ATOM 0 HE3 LYS A 801 -4.196 -0.277 -9.421 1.00 1.13 H new ATOM 0 HZ1 LYS A 801 -5.460 -2.143 -10.032 1.00 1.95 H new ATOM 0 HZ2 LYS A 801 -5.763 -1.928 -8.375 1.00 1.95 H new ATOM 0 HZ3 LYS A 801 -6.921 -1.446 -9.519 1.00 1.95 H new ATOM 402 N ILE A 802 -9.766 0.616 -4.989 1.00 0.39 N ATOM 403 CA ILE A 802 -10.457 -0.536 -4.407 1.00 0.52 C ATOM 404 C ILE A 802 -11.973 -0.341 -4.387 1.00 0.70 C ATOM 405 O ILE A 802 -12.721 -1.301 -4.587 1.00 1.56 O ATOM 406 CB ILE A 802 -9.945 -0.859 -2.977 1.00 0.54 C ATOM 407 CG1 ILE A 802 -8.549 -1.485 -3.045 1.00 0.64 C ATOM 408 CG2 ILE A 802 -10.901 -1.787 -2.231 1.00 0.71 C ATOM 409 CD1 ILE A 802 -8.035 -1.990 -1.711 1.00 0.71 C ATOM 0 H ILE A 802 -9.268 1.194 -4.312 1.00 0.39 H new ATOM 0 HA ILE A 802 -10.229 -1.385 -5.052 1.00 0.52 H new ATOM 0 HB ILE A 802 -9.894 0.079 -2.424 1.00 0.54 H new ATOM 0 HG12 ILE A 802 -8.567 -2.314 -3.753 1.00 0.64 H new ATOM 0 HG13 ILE A 802 -7.849 -0.747 -3.437 1.00 0.64 H new ATOM 0 HG21 ILE A 802 -10.508 -1.990 -1.235 1.00 0.71 H new ATOM 0 HG22 ILE A 802 -11.878 -1.311 -2.146 1.00 0.71 H new ATOM 0 HG23 ILE A 802 -11.000 -2.724 -2.779 1.00 0.71 H new ATOM 0 HD11 ILE A 802 -7.042 -2.419 -1.843 1.00 0.71 H new ATOM 0 HD12 ILE A 802 -7.982 -1.162 -1.004 1.00 0.71 H new ATOM 0 HD13 ILE A 802 -8.711 -2.753 -1.326 1.00 0.71 H new ATOM 421 N SER A 803 -12.427 0.873 -4.077 1.00 1.05 N ATOM 422 CA SER A 803 -13.854 1.137 -3.952 1.00 1.14 C ATOM 423 C SER A 803 -14.598 0.767 -5.228 1.00 1.66 C ATOM 424 O SER A 803 -14.452 1.411 -6.268 1.00 2.28 O ATOM 425 CB SER A 803 -14.105 2.603 -3.597 1.00 2.03 C ATOM 426 OG SER A 803 -13.548 3.480 -4.562 1.00 2.88 O ATOM 0 H SER A 803 -11.829 1.682 -3.909 1.00 1.05 H new ATOM 0 HA SER A 803 -14.236 0.513 -3.144 1.00 1.14 H new ATOM 0 HB2 SER A 803 -15.178 2.780 -3.521 1.00 2.03 H new ATOM 0 HB3 SER A 803 -13.676 2.819 -2.619 1.00 2.03 H new ATOM 0 HG SER A 803 -12.599 3.622 -4.365 1.00 2.88 H new ATOM 432 N ASN A 804 -15.358 -0.306 -5.141 1.00 2.33 N ATOM 433 CA ASN A 804 -16.128 -0.806 -6.263 1.00 3.40 C ATOM 434 C ASN A 804 -17.583 -0.426 -6.069 1.00 3.88 C ATOM 435 O ASN A 804 -18.303 -0.151 -7.028 1.00 4.66 O ATOM 436 CB ASN A 804 -15.971 -2.327 -6.355 1.00 4.12 C ATOM 437 CG ASN A 804 -16.573 -2.959 -7.608 1.00 4.56 C ATOM 438 OD1 ASN A 804 -16.289 -4.116 -7.917 1.00 5.02 O ATOM 439 ND2 ASN A 804 -17.433 -2.243 -8.310 1.00 4.87 N ATOM 0 H ASN A 804 -15.460 -0.857 -4.289 1.00 2.33 H new ATOM 0 HA ASN A 804 -15.768 -0.367 -7.193 1.00 3.40 H new ATOM 0 HB2 ASN A 804 -14.909 -2.571 -6.316 1.00 4.12 H new ATOM 0 HB3 ASN A 804 -16.435 -2.780 -5.478 1.00 4.12 H new ATOM 0 HD21 ASN A 804 -17.881 -2.647 -9.132 1.00 4.87 H new ATOM 0 HD22 ASN A 804 -17.649 -1.286 -8.030 1.00 4.87 H new ATOM 446 N THR A 805 -18.014 -0.478 -4.822 1.00 3.74 N ATOM 447 CA THR A 805 -19.400 -0.244 -4.474 1.00 4.53 C ATOM 448 C THR A 805 -19.878 1.143 -4.916 1.00 4.65 C ATOM 449 O THR A 805 -20.378 1.308 -6.030 1.00 5.32 O ATOM 450 CB THR A 805 -19.591 -0.392 -2.961 1.00 4.91 C ATOM 451 OG1 THR A 805 -18.476 -1.099 -2.402 1.00 5.49 O ATOM 452 CG2 THR A 805 -20.871 -1.145 -2.653 1.00 4.80 C ATOM 0 H THR A 805 -17.413 -0.683 -4.024 1.00 3.74 H new ATOM 0 HA THR A 805 -19.998 -0.987 -5.001 1.00 4.53 H new ATOM 0 HB THR A 805 -19.656 0.603 -2.521 1.00 4.91 H new ATOM 0 HG1 THR A 805 -18.599 -1.191 -1.434 1.00 5.49 H new ATOM 0 HG21 THR A 805 -20.987 -1.239 -1.573 1.00 4.80 H new ATOM 0 HG22 THR A 805 -21.721 -0.600 -3.063 1.00 4.80 H new ATOM 0 HG23 THR A 805 -20.826 -2.138 -3.101 1.00 4.80 H new ATOM 460 N HIS A 806 -19.756 2.130 -4.030 1.00 4.26 N ATOM 461 CA HIS A 806 -20.210 3.486 -4.335 1.00 4.59 C ATOM 462 C HIS A 806 -19.782 4.477 -3.256 1.00 4.36 C ATOM 463 O HIS A 806 -20.518 5.411 -2.938 1.00 4.80 O ATOM 464 CB HIS A 806 -21.739 3.532 -4.523 1.00 5.01 C ATOM 465 CG HIS A 806 -22.527 2.795 -3.478 1.00 5.39 C ATOM 466 ND1 HIS A 806 -22.653 3.223 -2.174 1.00 5.99 N ATOM 467 CD2 HIS A 806 -23.209 1.627 -3.554 1.00 5.63 C ATOM 468 CE1 HIS A 806 -23.374 2.348 -1.495 1.00 6.49 C ATOM 469 NE2 HIS A 806 -23.724 1.372 -2.308 1.00 6.32 N ATOM 0 H HIS A 806 -19.350 2.018 -3.101 1.00 4.26 H new ATOM 0 HA HIS A 806 -19.736 3.779 -5.272 1.00 4.59 H new ATOM 0 HB2 HIS A 806 -22.058 4.574 -4.530 1.00 5.01 H new ATOM 0 HB3 HIS A 806 -21.983 3.117 -5.501 1.00 5.01 H new ATOM 0 HD2 HIS A 806 -23.326 1.010 -4.433 1.00 5.63 H new ATOM 0 HE1 HIS A 806 -23.633 2.421 -0.449 1.00 6.49 H new ATOM 0 HE2 HIS A 806 -24.286 0.560 -2.053 1.00 6.32 H new ATOM 478 N ASN A 807 -18.563 4.311 -2.752 1.00 4.08 N ATOM 479 CA ASN A 807 -17.990 5.242 -1.787 1.00 4.33 C ATOM 480 C ASN A 807 -16.548 4.870 -1.502 1.00 3.86 C ATOM 481 O ASN A 807 -16.206 3.684 -1.437 1.00 4.10 O ATOM 482 CB ASN A 807 -18.800 5.294 -0.476 1.00 4.87 C ATOM 483 CG ASN A 807 -19.012 3.936 0.175 1.00 5.24 C ATOM 484 OD1 ASN A 807 -18.066 3.265 0.586 1.00 5.49 O ATOM 485 ND2 ASN A 807 -20.267 3.538 0.301 1.00 5.72 N ATOM 0 H ASN A 807 -17.949 3.534 -2.998 1.00 4.08 H new ATOM 0 HA ASN A 807 -18.028 6.238 -2.228 1.00 4.33 H new ATOM 0 HB2 ASN A 807 -18.288 5.948 0.230 1.00 4.87 H new ATOM 0 HB3 ASN A 807 -19.772 5.744 -0.679 1.00 4.87 H new ATOM 0 HD21 ASN A 807 -20.477 2.647 0.752 1.00 5.72 H new ATOM 0 HD22 ASN A 807 -21.025 4.122 -0.052 1.00 5.72 H new ATOM 492 N ASN A 808 -15.699 5.881 -1.356 1.00 3.63 N ATOM 493 CA ASN A 808 -14.301 5.659 -1.019 1.00 3.49 C ATOM 494 C ASN A 808 -14.211 4.977 0.330 1.00 2.65 C ATOM 495 O ASN A 808 -15.016 5.251 1.223 1.00 3.08 O ATOM 496 CB ASN A 808 -13.509 6.971 -0.993 1.00 4.33 C ATOM 497 CG ASN A 808 -13.161 7.492 -2.378 1.00 4.99 C ATOM 498 OD1 ASN A 808 -13.756 6.913 -3.411 1.00 5.77 O flip ATOM 499 ND2 ASN A 808 -12.372 8.428 -2.516 1.00 5.03 N flip ATOM 0 H ASN A 808 -15.956 6.862 -1.466 1.00 3.63 H new ATOM 0 HA ASN A 808 -13.863 5.024 -1.789 1.00 3.49 H new ATOM 0 HB2 ASN A 808 -14.089 7.727 -0.463 1.00 4.33 H new ATOM 0 HB3 ASN A 808 -12.589 6.821 -0.427 1.00 4.33 H new ATOM 0 HD21 ASN A 808 -11.933 8.849 -1.698 1.00 5.03 H new ATOM 0 HD22 ASN A 808 -12.158 8.782 -3.449 1.00 5.03 H new ATOM 506 N ASN A 809 -13.344 3.983 0.418 1.00 1.96 N ATOM 507 CA ASN A 809 -13.272 3.134 1.600 1.00 1.56 C ATOM 508 C ASN A 809 -13.014 3.948 2.868 1.00 1.72 C ATOM 509 O ASN A 809 -13.315 3.486 3.969 1.00 2.42 O ATOM 510 CB ASN A 809 -12.175 2.074 1.450 1.00 1.91 C ATOM 511 CG ASN A 809 -12.359 1.196 0.226 1.00 2.28 C ATOM 512 OD1 ASN A 809 -12.270 1.665 -0.904 1.00 3.06 O ATOM 513 ND2 ASN A 809 -12.622 -0.080 0.444 1.00 2.55 N ATOM 0 H ASN A 809 -12.678 3.742 -0.316 1.00 1.96 H new ATOM 0 HA ASN A 809 -14.241 2.643 1.692 1.00 1.56 H new ATOM 0 HB2 ASN A 809 -11.205 2.569 1.392 1.00 1.91 H new ATOM 0 HB3 ASN A 809 -12.160 1.446 2.341 1.00 1.91 H new ATOM 0 HD21 ASN A 809 -12.759 -0.714 -0.343 1.00 2.55 H new ATOM 0 HD22 ASN A 809 -12.688 -0.431 1.399 1.00 2.55 H new ATOM 520 N ILE A 810 -12.349 5.101 2.709 1.00 1.83 N ATOM 521 CA ILE A 810 -11.926 5.951 3.833 1.00 2.18 C ATOM 522 C ILE A 810 -10.685 5.361 4.498 1.00 1.94 C ATOM 523 O ILE A 810 -9.668 6.036 4.665 1.00 2.25 O ATOM 524 CB ILE A 810 -13.037 6.135 4.896 1.00 2.63 C ATOM 525 CG1 ILE A 810 -14.304 6.722 4.260 1.00 3.05 C ATOM 526 CG2 ILE A 810 -12.554 7.023 6.037 1.00 3.04 C ATOM 527 CD1 ILE A 810 -14.084 8.050 3.566 1.00 3.44 C ATOM 0 H ILE A 810 -12.088 5.472 1.795 1.00 1.83 H new ATOM 0 HA ILE A 810 -11.703 6.933 3.417 1.00 2.18 H new ATOM 0 HB ILE A 810 -13.279 5.154 5.305 1.00 2.63 H new ATOM 0 HG12 ILE A 810 -14.701 6.008 3.539 1.00 3.05 H new ATOM 0 HG13 ILE A 810 -15.062 6.849 5.033 1.00 3.05 H new ATOM 0 HG21 ILE A 810 -13.351 7.138 6.771 1.00 3.04 H new ATOM 0 HG22 ILE A 810 -11.686 6.565 6.512 1.00 3.04 H new ATOM 0 HG23 ILE A 810 -12.278 8.002 5.645 1.00 3.04 H new ATOM 0 HD11 ILE A 810 -15.025 8.399 3.142 1.00 3.44 H new ATOM 0 HD12 ILE A 810 -13.717 8.781 4.287 1.00 3.44 H new ATOM 0 HD13 ILE A 810 -13.351 7.927 2.769 1.00 3.44 H new ATOM 539 N SER A 811 -10.746 4.071 4.762 1.00 1.61 N ATOM 540 CA SER A 811 -9.621 3.321 5.274 1.00 1.34 C ATOM 541 C SER A 811 -9.791 1.862 4.880 1.00 1.12 C ATOM 542 O SER A 811 -10.882 1.305 4.996 1.00 1.24 O ATOM 543 CB SER A 811 -9.525 3.448 6.797 1.00 1.36 C ATOM 544 OG SER A 811 -9.335 4.795 7.200 1.00 1.89 O ATOM 0 H SER A 811 -11.587 3.510 4.625 1.00 1.61 H new ATOM 0 HA SER A 811 -8.700 3.719 4.849 1.00 1.34 H new ATOM 0 HB2 SER A 811 -10.434 3.057 7.253 1.00 1.36 H new ATOM 0 HB3 SER A 811 -8.698 2.839 7.162 1.00 1.36 H new ATOM 0 HG SER A 811 -9.274 5.368 6.407 1.00 1.89 H new ATOM 550 N PRO A 812 -8.747 1.254 4.309 1.00 0.88 N ATOM 551 CA PRO A 812 -8.794 -0.126 3.826 1.00 0.80 C ATOM 552 C PRO A 812 -8.656 -1.130 4.959 1.00 0.77 C ATOM 553 O PRO A 812 -7.914 -2.108 4.849 1.00 0.82 O ATOM 554 CB PRO A 812 -7.591 -0.220 2.869 1.00 0.77 C ATOM 555 CG PRO A 812 -7.016 1.161 2.789 1.00 0.75 C ATOM 556 CD PRO A 812 -7.455 1.874 4.032 1.00 0.82 C ATOM 0 HA PRO A 812 -9.745 -0.359 3.348 1.00 0.80 H new ATOM 0 HB2 PRO A 812 -6.852 -0.929 3.241 1.00 0.77 H new ATOM 0 HB3 PRO A 812 -7.902 -0.570 1.885 1.00 0.77 H new ATOM 0 HG2 PRO A 812 -5.928 1.126 2.725 1.00 0.75 H new ATOM 0 HG3 PRO A 812 -7.371 1.679 1.898 1.00 0.75 H new ATOM 0 HD2 PRO A 812 -6.752 1.731 4.852 1.00 0.82 H new ATOM 0 HD3 PRO A 812 -7.546 2.949 3.873 1.00 0.82 H new ATOM 564 N ILE A 813 -9.350 -0.850 6.059 1.00 0.87 N ATOM 565 CA ILE A 813 -9.265 -1.640 7.280 1.00 0.96 C ATOM 566 C ILE A 813 -7.862 -1.502 7.884 1.00 0.96 C ATOM 567 O ILE A 813 -6.902 -1.180 7.187 1.00 1.64 O ATOM 568 CB ILE A 813 -9.646 -3.125 7.062 1.00 1.06 C ATOM 569 CG1 ILE A 813 -10.913 -3.239 6.202 1.00 1.46 C ATOM 570 CG2 ILE A 813 -9.876 -3.815 8.402 1.00 1.22 C ATOM 571 CD1 ILE A 813 -12.126 -2.560 6.806 1.00 1.67 C ATOM 0 H ILE A 813 -9.993 -0.061 6.127 1.00 0.87 H new ATOM 0 HA ILE A 813 -9.999 -1.247 7.984 1.00 0.96 H new ATOM 0 HB ILE A 813 -8.821 -3.613 6.543 1.00 1.06 H new ATOM 0 HG12 ILE A 813 -10.716 -2.805 5.222 1.00 1.46 H new ATOM 0 HG13 ILE A 813 -11.140 -4.293 6.044 1.00 1.46 H new ATOM 0 HG21 ILE A 813 -10.143 -4.858 8.233 1.00 1.22 H new ATOM 0 HG22 ILE A 813 -8.965 -3.766 8.998 1.00 1.22 H new ATOM 0 HG23 ILE A 813 -10.685 -3.315 8.935 1.00 1.22 H new ATOM 0 HD11 ILE A 813 -12.981 -2.684 6.141 1.00 1.67 H new ATOM 0 HD12 ILE A 813 -12.351 -3.009 7.773 1.00 1.67 H new ATOM 0 HD13 ILE A 813 -11.920 -1.498 6.939 1.00 1.67 H new ATOM 583 N THR A 814 -7.813 -1.436 9.193 1.00 0.83 N ATOM 584 CA THR A 814 -6.636 -0.937 9.878 1.00 0.84 C ATOM 585 C THR A 814 -5.590 -2.008 10.134 1.00 0.71 C ATOM 586 O THR A 814 -4.897 -2.004 11.153 1.00 1.08 O ATOM 587 CB THR A 814 -7.076 -0.246 11.166 1.00 1.10 C ATOM 588 OG1 THR A 814 -7.709 -1.186 12.050 1.00 1.03 O ATOM 589 CG2 THR A 814 -8.063 0.840 10.787 1.00 1.90 C ATOM 0 H THR A 814 -8.574 -1.721 9.809 1.00 0.83 H new ATOM 0 HA THR A 814 -6.140 -0.217 9.227 1.00 0.84 H new ATOM 0 HB THR A 814 -6.212 0.174 11.681 1.00 1.10 H new ATOM 0 HG1 THR A 814 -7.984 -0.728 12.872 1.00 1.03 H new ATOM 0 HG21 THR A 814 -8.399 1.356 11.686 1.00 1.90 H new ATOM 0 HG22 THR A 814 -7.580 1.553 10.118 1.00 1.90 H new ATOM 0 HG23 THR A 814 -8.920 0.393 10.283 1.00 1.90 H new ATOM 597 N LYS A 815 -5.361 -2.797 9.104 1.00 0.61 N ATOM 598 CA LYS A 815 -4.270 -3.764 9.084 1.00 0.82 C ATOM 599 C LYS A 815 -3.907 -4.133 7.650 1.00 0.88 C ATOM 600 O LYS A 815 -3.845 -5.309 7.292 1.00 1.68 O ATOM 601 CB LYS A 815 -4.586 -5.024 9.915 1.00 1.16 C ATOM 602 CG LYS A 815 -6.062 -5.258 10.222 1.00 1.29 C ATOM 603 CD LYS A 815 -6.782 -5.988 9.103 1.00 1.45 C ATOM 604 CE LYS A 815 -6.901 -5.128 7.864 1.00 1.74 C ATOM 605 NZ LYS A 815 -7.615 -5.835 6.775 1.00 2.52 N ATOM 0 H LYS A 815 -5.924 -2.790 8.254 1.00 0.61 H new ATOM 0 HA LYS A 815 -3.409 -3.287 9.551 1.00 0.82 H new ATOM 0 HB2 LYS A 815 -4.202 -5.894 9.383 1.00 1.16 H new ATOM 0 HB3 LYS A 815 -4.043 -4.961 10.858 1.00 1.16 H new ATOM 0 HG2 LYS A 815 -6.151 -5.834 11.143 1.00 1.29 H new ATOM 0 HG3 LYS A 815 -6.549 -4.299 10.398 1.00 1.29 H new ATOM 0 HD2 LYS A 815 -6.244 -6.904 8.860 1.00 1.45 H new ATOM 0 HD3 LYS A 815 -7.776 -6.282 9.440 1.00 1.45 H new ATOM 0 HE2 LYS A 815 -7.431 -4.207 8.109 1.00 1.74 H new ATOM 0 HE3 LYS A 815 -5.906 -4.842 7.522 1.00 1.74 H new ATOM 0 HZ1 LYS A 815 -7.327 -5.439 5.857 1.00 2.52 H new ATOM 0 HZ2 LYS A 815 -7.379 -6.847 6.805 1.00 2.52 H new ATOM 0 HZ3 LYS A 815 -8.641 -5.715 6.897 1.00 2.52 H new ATOM 619 N ILE A 816 -3.673 -3.110 6.835 1.00 0.43 N ATOM 620 CA ILE A 816 -3.253 -3.310 5.453 1.00 0.34 C ATOM 621 C ILE A 816 -1.870 -3.951 5.423 1.00 0.30 C ATOM 622 O ILE A 816 -1.030 -3.683 6.282 1.00 0.33 O ATOM 623 CB ILE A 816 -3.211 -1.982 4.660 1.00 0.39 C ATOM 624 CG1 ILE A 816 -2.212 -1.003 5.288 1.00 0.63 C ATOM 625 CG2 ILE A 816 -4.594 -1.354 4.600 1.00 0.55 C ATOM 626 CD1 ILE A 816 -2.026 0.272 4.495 1.00 1.06 C ATOM 0 H ILE A 816 -3.767 -2.132 7.109 1.00 0.43 H new ATOM 0 HA ILE A 816 -3.987 -3.963 4.981 1.00 0.34 H new ATOM 0 HB ILE A 816 -2.883 -2.204 3.645 1.00 0.39 H new ATOM 0 HG12 ILE A 816 -2.549 -0.749 6.293 1.00 0.63 H new ATOM 0 HG13 ILE A 816 -1.247 -1.499 5.392 1.00 0.63 H new ATOM 0 HG21 ILE A 816 -4.546 -0.421 4.039 1.00 0.55 H new ATOM 0 HG22 ILE A 816 -5.284 -2.039 4.107 1.00 0.55 H new ATOM 0 HG23 ILE A 816 -4.946 -1.151 5.612 1.00 0.55 H new ATOM 0 HD11 ILE A 816 -1.305 0.914 5.002 1.00 1.06 H new ATOM 0 HD12 ILE A 816 -1.658 0.030 3.498 1.00 1.06 H new ATOM 0 HD13 ILE A 816 -2.980 0.792 4.413 1.00 1.06 H new ATOM 638 N LYS A 817 -1.631 -4.780 4.434 1.00 0.26 N ATOM 639 CA LYS A 817 -0.372 -5.492 4.330 1.00 0.24 C ATOM 640 C LYS A 817 0.209 -5.235 2.958 1.00 0.23 C ATOM 641 O LYS A 817 -0.536 -5.008 2.017 1.00 0.24 O ATOM 642 CB LYS A 817 -0.616 -6.989 4.529 1.00 0.33 C ATOM 643 CG LYS A 817 0.586 -7.755 5.043 1.00 0.74 C ATOM 644 CD LYS A 817 0.273 -9.234 5.160 1.00 0.68 C ATOM 645 CE LYS A 817 1.493 -10.038 5.575 1.00 1.18 C ATOM 646 NZ LYS A 817 1.829 -9.858 7.014 1.00 1.35 N ATOM 0 H LYS A 817 -2.293 -4.981 3.685 1.00 0.26 H new ATOM 0 HA LYS A 817 0.325 -5.148 5.094 1.00 0.24 H new ATOM 0 HB2 LYS A 817 -1.442 -7.121 5.228 1.00 0.33 H new ATOM 0 HB3 LYS A 817 -0.930 -7.423 3.580 1.00 0.33 H new ATOM 0 HG2 LYS A 817 1.431 -7.610 4.369 1.00 0.74 H new ATOM 0 HG3 LYS A 817 0.883 -7.364 6.016 1.00 0.74 H new ATOM 0 HD2 LYS A 817 -0.524 -9.380 5.889 1.00 0.68 H new ATOM 0 HD3 LYS A 817 -0.098 -9.604 4.204 1.00 0.68 H new ATOM 0 HE2 LYS A 817 1.313 -11.095 5.376 1.00 1.18 H new ATOM 0 HE3 LYS A 817 2.346 -9.740 4.965 1.00 1.18 H new ATOM 0 HZ1 LYS A 817 2.479 -10.612 7.316 1.00 1.35 H new ATOM 0 HZ2 LYS A 817 2.284 -8.933 7.151 1.00 1.35 H new ATOM 0 HZ3 LYS A 817 0.959 -9.904 7.582 1.00 1.35 H new ATOM 660 N TYR A 818 1.517 -5.125 2.865 1.00 0.20 N ATOM 661 CA TYR A 818 2.128 -4.697 1.624 1.00 0.19 C ATOM 662 C TYR A 818 3.207 -5.660 1.173 1.00 0.18 C ATOM 663 O TYR A 818 3.850 -6.339 1.976 1.00 0.19 O ATOM 664 CB TYR A 818 2.677 -3.263 1.739 1.00 0.20 C ATOM 665 CG TYR A 818 4.056 -3.130 2.355 1.00 0.20 C ATOM 666 CD1 TYR A 818 5.205 -3.264 1.583 1.00 0.23 C ATOM 667 CD2 TYR A 818 4.207 -2.839 3.704 1.00 0.25 C ATOM 668 CE1 TYR A 818 6.460 -3.110 2.137 1.00 0.25 C ATOM 669 CE2 TYR A 818 5.457 -2.685 4.270 1.00 0.27 C ATOM 670 CZ TYR A 818 6.582 -2.819 3.481 1.00 0.26 C ATOM 671 OH TYR A 818 7.836 -2.667 4.036 1.00 0.30 O ATOM 0 H TYR A 818 2.171 -5.323 3.623 1.00 0.20 H new ATOM 0 HA TYR A 818 1.350 -4.697 0.861 1.00 0.19 H new ATOM 0 HB2 TYR A 818 2.701 -2.823 0.742 1.00 0.20 H new ATOM 0 HB3 TYR A 818 1.977 -2.673 2.331 1.00 0.20 H new ATOM 0 HD1 TYR A 818 5.114 -3.493 0.531 1.00 0.23 H new ATOM 0 HD2 TYR A 818 3.329 -2.731 4.323 1.00 0.25 H new ATOM 0 HE1 TYR A 818 7.342 -3.217 1.522 1.00 0.25 H new ATOM 0 HE2 TYR A 818 5.554 -2.461 5.322 1.00 0.27 H new ATOM 0 HH TYR A 818 7.749 -2.464 4.991 1.00 0.30 H new ATOM 681 N GLN A 819 3.299 -5.779 -0.130 1.00 0.17 N ATOM 682 CA GLN A 819 4.217 -6.680 -0.781 1.00 0.19 C ATOM 683 C GLN A 819 5.009 -5.909 -1.813 1.00 0.19 C ATOM 684 O GLN A 819 4.496 -4.971 -2.416 1.00 0.18 O ATOM 685 CB GLN A 819 3.474 -7.833 -1.465 1.00 0.22 C ATOM 686 CG GLN A 819 4.410 -8.830 -2.127 1.00 0.35 C ATOM 687 CD GLN A 819 3.721 -9.749 -3.120 1.00 0.45 C ATOM 688 OE1 GLN A 819 4.181 -9.727 -4.361 1.00 1.08 O flip ATOM 689 NE2 GLN A 819 2.785 -10.466 -2.784 1.00 0.90 N flip ATOM 0 H GLN A 819 2.726 -5.241 -0.780 1.00 0.17 H new ATOM 0 HA GLN A 819 4.881 -7.105 -0.029 1.00 0.19 H new ATOM 0 HB2 GLN A 819 2.861 -8.352 -0.728 1.00 0.22 H new ATOM 0 HB3 GLN A 819 2.795 -7.427 -2.215 1.00 0.22 H new ATOM 0 HG2 GLN A 819 5.203 -8.285 -2.640 1.00 0.35 H new ATOM 0 HG3 GLN A 819 4.886 -9.435 -1.356 1.00 0.35 H new ATOM 0 HE21 GLN A 819 2.457 -10.457 -1.818 1.00 0.90 H new ATOM 0 HE22 GLN A 819 2.334 -11.071 -3.470 1.00 0.90 H new ATOM 698 N ASP A 820 6.242 -6.302 -2.017 1.00 0.22 N ATOM 699 CA ASP A 820 7.108 -5.619 -2.956 1.00 0.24 C ATOM 700 C ASP A 820 7.611 -6.638 -3.962 1.00 0.28 C ATOM 701 O ASP A 820 7.626 -7.841 -3.661 1.00 0.38 O ATOM 702 CB ASP A 820 8.291 -4.969 -2.232 1.00 0.31 C ATOM 703 CG ASP A 820 9.264 -5.987 -1.676 1.00 0.96 C ATOM 704 OD1 ASP A 820 8.834 -6.874 -0.915 1.00 1.73 O ATOM 705 OD2 ASP A 820 10.460 -5.914 -2.012 1.00 1.38 O ATOM 0 H ASP A 820 6.674 -7.096 -1.544 1.00 0.22 H new ATOM 0 HA ASP A 820 6.552 -4.829 -3.460 1.00 0.24 H new ATOM 0 HB2 ASP A 820 8.816 -4.309 -2.922 1.00 0.31 H new ATOM 0 HB3 ASP A 820 7.917 -4.347 -1.419 1.00 0.31 H new ATOM 710 N GLU A 821 7.745 -6.187 -5.212 1.00 0.28 N ATOM 711 CA GLU A 821 7.965 -7.077 -6.356 1.00 0.38 C ATOM 712 C GLU A 821 9.085 -8.086 -6.113 1.00 0.85 C ATOM 713 O GLU A 821 9.034 -9.203 -6.633 1.00 0.63 O ATOM 714 CB GLU A 821 8.258 -6.264 -7.619 1.00 1.20 C ATOM 715 CG GLU A 821 8.267 -7.100 -8.888 1.00 1.63 C ATOM 716 CD GLU A 821 8.371 -6.265 -10.146 1.00 2.62 C ATOM 717 OE1 GLU A 821 8.459 -5.026 -10.044 1.00 3.38 O ATOM 718 OE2 GLU A 821 8.355 -6.846 -11.250 1.00 3.04 O ATOM 0 H GLU A 821 7.704 -5.198 -5.459 1.00 0.28 H new ATOM 0 HA GLU A 821 7.044 -7.644 -6.492 1.00 0.38 H new ATOM 0 HB2 GLU A 821 7.510 -5.477 -7.717 1.00 1.20 H new ATOM 0 HB3 GLU A 821 9.225 -5.773 -7.510 1.00 1.20 H new ATOM 0 HG2 GLU A 821 9.104 -7.797 -8.851 1.00 1.63 H new ATOM 0 HG3 GLU A 821 7.356 -7.697 -8.929 1.00 1.63 H new ATOM 725 N ASP A 822 10.062 -7.712 -5.294 1.00 1.90 N ATOM 726 CA ASP A 822 11.165 -8.612 -4.949 1.00 2.86 C ATOM 727 C ASP A 822 10.632 -9.932 -4.393 1.00 2.24 C ATOM 728 O ASP A 822 11.146 -11.001 -4.713 1.00 2.49 O ATOM 729 CB ASP A 822 12.107 -7.961 -3.938 1.00 3.96 C ATOM 730 CG ASP A 822 13.251 -8.875 -3.545 1.00 5.04 C ATOM 731 OD1 ASP A 822 14.025 -9.287 -4.436 1.00 5.45 O ATOM 732 OD2 ASP A 822 13.390 -9.179 -2.341 1.00 5.63 O ATOM 0 H ASP A 822 10.116 -6.793 -4.855 1.00 1.90 H new ATOM 0 HA ASP A 822 11.725 -8.816 -5.861 1.00 2.86 H new ATOM 0 HB2 ASP A 822 12.509 -7.040 -4.360 1.00 3.96 H new ATOM 0 HB3 ASP A 822 11.544 -7.684 -3.047 1.00 3.96 H new ATOM 737 N GLY A 823 9.515 -9.857 -3.682 1.00 1.39 N ATOM 738 CA GLY A 823 8.848 -11.060 -3.232 1.00 0.79 C ATOM 739 C GLY A 823 8.758 -11.146 -1.729 1.00 0.74 C ATOM 740 O GLY A 823 9.107 -12.169 -1.140 1.00 0.91 O ATOM 0 H GLY A 823 9.060 -8.985 -3.410 1.00 1.39 H new ATOM 0 HA2 GLY A 823 7.844 -11.094 -3.655 1.00 0.79 H new ATOM 0 HA3 GLY A 823 9.383 -11.931 -3.611 1.00 0.79 H new ATOM 744 N ASP A 824 8.313 -10.073 -1.096 1.00 0.55 N ATOM 745 CA ASP A 824 8.234 -10.042 0.360 1.00 0.53 C ATOM 746 C ASP A 824 6.904 -9.470 0.825 1.00 0.40 C ATOM 747 O ASP A 824 6.340 -8.591 0.179 1.00 0.32 O ATOM 748 CB ASP A 824 9.409 -9.243 0.933 1.00 0.61 C ATOM 749 CG ASP A 824 9.435 -9.214 2.447 1.00 0.97 C ATOM 750 OD1 ASP A 824 8.725 -8.385 3.051 1.00 1.47 O ATOM 751 OD2 ASP A 824 10.157 -10.038 3.044 1.00 1.42 O ATOM 0 H ASP A 824 8.003 -9.219 -1.559 1.00 0.55 H new ATOM 0 HA ASP A 824 8.296 -11.065 0.732 1.00 0.53 H new ATOM 0 HB2 ASP A 824 10.343 -9.672 0.569 1.00 0.61 H new ATOM 0 HB3 ASP A 824 9.361 -8.221 0.558 1.00 0.61 H new ATOM 756 N PHE A 825 6.402 -9.994 1.938 1.00 0.43 N ATOM 757 CA PHE A 825 5.115 -9.581 2.471 1.00 0.38 C ATOM 758 C PHE A 825 5.262 -9.161 3.923 1.00 0.40 C ATOM 759 O PHE A 825 5.875 -9.856 4.736 1.00 0.47 O ATOM 760 CB PHE A 825 4.102 -10.721 2.369 1.00 0.47 C ATOM 761 CG PHE A 825 2.861 -10.358 1.605 1.00 0.49 C ATOM 762 CD1 PHE A 825 2.034 -9.343 2.049 1.00 0.55 C ATOM 763 CD2 PHE A 825 2.528 -11.020 0.433 1.00 0.91 C ATOM 764 CE1 PHE A 825 0.899 -8.996 1.343 1.00 0.80 C ATOM 765 CE2 PHE A 825 1.396 -10.677 -0.274 1.00 1.16 C ATOM 766 CZ PHE A 825 0.553 -9.710 0.202 1.00 1.04 C ATOM 0 H PHE A 825 6.873 -10.711 2.490 1.00 0.43 H new ATOM 0 HA PHE A 825 4.756 -8.735 1.885 1.00 0.38 H new ATOM 0 HB2 PHE A 825 4.577 -11.576 1.888 1.00 0.47 H new ATOM 0 HB3 PHE A 825 3.821 -11.036 3.374 1.00 0.47 H new ATOM 0 HD1 PHE A 825 2.279 -8.815 2.959 1.00 0.55 H new ATOM 0 HD2 PHE A 825 3.164 -11.814 0.070 1.00 0.91 H new ATOM 0 HE1 PHE A 825 0.283 -8.174 1.676 1.00 0.80 H new ATOM 0 HE2 PHE A 825 1.173 -11.173 -1.207 1.00 1.16 H new ATOM 0 HZ PHE A 825 -0.377 -9.503 -0.307 1.00 1.04 H new ATOM 776 N VAL A 826 4.828 -7.947 4.177 1.00 0.35 N ATOM 777 CA VAL A 826 5.033 -7.267 5.443 1.00 0.39 C ATOM 778 C VAL A 826 3.867 -6.315 5.682 1.00 0.31 C ATOM 779 O VAL A 826 3.176 -5.958 4.737 1.00 0.29 O ATOM 780 CB VAL A 826 6.398 -6.532 5.479 1.00 0.52 C ATOM 781 CG1 VAL A 826 6.710 -5.909 4.135 1.00 1.35 C ATOM 782 CG2 VAL A 826 6.444 -5.479 6.579 1.00 0.95 C ATOM 0 H VAL A 826 4.311 -7.390 3.497 1.00 0.35 H new ATOM 0 HA VAL A 826 5.063 -8.001 6.249 1.00 0.39 H new ATOM 0 HB VAL A 826 7.161 -7.277 5.703 1.00 0.52 H new ATOM 0 HG11 VAL A 826 7.672 -5.399 4.185 1.00 1.35 H new ATOM 0 HG12 VAL A 826 6.751 -6.688 3.374 1.00 1.35 H new ATOM 0 HG13 VAL A 826 5.932 -5.191 3.877 1.00 1.35 H new ATOM 0 HG21 VAL A 826 7.417 -4.987 6.571 1.00 0.95 H new ATOM 0 HG22 VAL A 826 5.662 -4.740 6.408 1.00 0.95 H new ATOM 0 HG23 VAL A 826 6.287 -5.956 7.546 1.00 0.95 H new ATOM 792 N VAL A 827 3.512 -6.069 6.929 1.00 0.33 N ATOM 793 CA VAL A 827 2.272 -5.368 7.218 1.00 0.32 C ATOM 794 C VAL A 827 2.565 -4.112 8.021 1.00 0.35 C ATOM 795 O VAL A 827 3.520 -4.071 8.799 1.00 0.40 O ATOM 796 CB VAL A 827 1.299 -6.277 8.014 1.00 0.37 C ATOM 797 CG1 VAL A 827 1.931 -6.757 9.310 1.00 0.98 C ATOM 798 CG2 VAL A 827 -0.012 -5.569 8.305 1.00 1.22 C ATOM 0 H VAL A 827 4.055 -6.339 7.749 1.00 0.33 H new ATOM 0 HA VAL A 827 1.802 -5.097 6.273 1.00 0.32 H new ATOM 0 HB VAL A 827 1.088 -7.144 7.388 1.00 0.37 H new ATOM 0 HG11 VAL A 827 1.225 -7.392 9.846 1.00 0.98 H new ATOM 0 HG12 VAL A 827 2.833 -7.326 9.086 1.00 0.98 H new ATOM 0 HG13 VAL A 827 2.189 -5.898 9.929 1.00 0.98 H new ATOM 0 HG21 VAL A 827 -0.669 -6.235 8.864 1.00 1.22 H new ATOM 0 HG22 VAL A 827 0.182 -4.672 8.894 1.00 1.22 H new ATOM 0 HG23 VAL A 827 -0.491 -5.290 7.366 1.00 1.22 H new ATOM 808 N LEU A 828 1.904 -3.029 7.627 1.00 0.34 N ATOM 809 CA LEU A 828 2.228 -1.712 8.142 1.00 0.38 C ATOM 810 C LEU A 828 0.978 -1.019 8.656 1.00 0.44 C ATOM 811 O LEU A 828 -0.133 -1.310 8.215 1.00 0.48 O ATOM 812 CB LEU A 828 2.923 -0.855 7.056 1.00 0.38 C ATOM 813 CG LEU A 828 2.060 -0.382 5.869 1.00 0.39 C ATOM 814 CD1 LEU A 828 1.226 0.840 6.236 1.00 1.03 C ATOM 815 CD2 LEU A 828 2.937 -0.054 4.674 1.00 0.96 C ATOM 0 H LEU A 828 1.140 -3.042 6.951 1.00 0.34 H new ATOM 0 HA LEU A 828 2.921 -1.830 8.975 1.00 0.38 H new ATOM 0 HB2 LEU A 828 3.343 0.027 7.540 1.00 0.38 H new ATOM 0 HB3 LEU A 828 3.759 -1.429 6.657 1.00 0.38 H new ATOM 0 HG LEU A 828 1.383 -1.197 5.613 1.00 0.39 H new ATOM 0 HD11 LEU A 828 0.630 1.146 5.376 1.00 1.03 H new ATOM 0 HD12 LEU A 828 0.564 0.593 7.066 1.00 1.03 H new ATOM 0 HD13 LEU A 828 1.886 1.656 6.529 1.00 1.03 H new ATOM 0 HD21 LEU A 828 2.313 0.278 3.845 1.00 0.96 H new ATOM 0 HD22 LEU A 828 3.636 0.738 4.942 1.00 0.96 H new ATOM 0 HD23 LEU A 828 3.493 -0.943 4.376 1.00 0.96 H new ATOM 827 N GLY A 829 1.171 -0.089 9.571 1.00 0.53 N ATOM 828 CA GLY A 829 0.063 0.674 10.101 1.00 0.63 C ATOM 829 C GLY A 829 0.506 1.647 11.168 1.00 0.73 C ATOM 830 O GLY A 829 -0.134 1.764 12.216 1.00 1.20 O ATOM 0 H GLY A 829 2.082 0.154 9.960 1.00 0.53 H new ATOM 0 HA2 GLY A 829 -0.422 1.220 9.291 1.00 0.63 H new ATOM 0 HA3 GLY A 829 -0.680 -0.007 10.517 1.00 0.63 H new ATOM 834 N SER A 830 1.628 2.314 10.930 1.00 0.74 N ATOM 835 CA SER A 830 2.166 3.240 11.910 1.00 0.85 C ATOM 836 C SER A 830 2.667 4.518 11.235 1.00 0.98 C ATOM 837 O SER A 830 1.998 5.552 11.291 1.00 1.93 O ATOM 838 CB SER A 830 3.307 2.567 12.679 1.00 0.89 C ATOM 839 OG SER A 830 3.078 1.171 12.810 1.00 1.58 O ATOM 0 H SER A 830 2.177 2.231 10.074 1.00 0.74 H new ATOM 0 HA SER A 830 1.372 3.514 12.605 1.00 0.85 H new ATOM 0 HB2 SER A 830 4.250 2.737 12.160 1.00 0.89 H new ATOM 0 HB3 SER A 830 3.401 3.018 13.667 1.00 0.89 H new ATOM 0 HG SER A 830 3.289 0.724 11.964 1.00 1.58 H new ATOM 845 N ASP A 831 3.787 4.406 10.523 1.00 0.62 N ATOM 846 CA ASP A 831 4.385 5.529 9.793 1.00 0.62 C ATOM 847 C ASP A 831 5.758 5.121 9.277 1.00 0.58 C ATOM 848 O ASP A 831 6.017 5.128 8.074 1.00 0.97 O ATOM 849 CB ASP A 831 4.542 6.761 10.699 1.00 0.86 C ATOM 850 CG ASP A 831 4.982 8.005 9.946 1.00 1.20 C ATOM 851 OD1 ASP A 831 4.880 8.031 8.704 1.00 1.79 O ATOM 852 OD2 ASP A 831 5.405 8.981 10.605 1.00 1.74 O ATOM 0 H ASP A 831 4.308 3.534 10.434 1.00 0.62 H new ATOM 0 HA ASP A 831 3.725 5.786 8.965 1.00 0.62 H new ATOM 0 HB2 ASP A 831 3.593 6.962 11.196 1.00 0.86 H new ATOM 0 HB3 ASP A 831 5.270 6.540 11.479 1.00 0.86 H new ATOM 857 N GLU A 832 6.612 4.700 10.206 1.00 0.50 N ATOM 858 CA GLU A 832 7.961 4.258 9.881 1.00 0.44 C ATOM 859 C GLU A 832 7.941 3.029 8.988 1.00 0.34 C ATOM 860 O GLU A 832 8.736 2.915 8.067 1.00 0.34 O ATOM 861 CB GLU A 832 8.747 3.954 11.155 1.00 0.56 C ATOM 862 CG GLU A 832 9.042 5.175 12.008 1.00 1.41 C ATOM 863 CD GLU A 832 9.898 6.195 11.286 1.00 2.19 C ATOM 864 OE1 GLU A 832 9.407 6.807 10.318 1.00 2.93 O ATOM 865 OE2 GLU A 832 11.067 6.393 11.680 1.00 2.62 O ATOM 0 H GLU A 832 6.388 4.656 11.200 1.00 0.50 H new ATOM 0 HA GLU A 832 8.450 5.069 9.341 1.00 0.44 H new ATOM 0 HB2 GLU A 832 8.187 3.234 11.752 1.00 0.56 H new ATOM 0 HB3 GLU A 832 9.689 3.478 10.883 1.00 0.56 H new ATOM 0 HG2 GLU A 832 8.103 5.640 12.307 1.00 1.41 H new ATOM 0 HG3 GLU A 832 9.548 4.862 12.921 1.00 1.41 H new ATOM 872 N ASP A 833 6.997 2.140 9.237 1.00 0.32 N ATOM 873 CA ASP A 833 6.834 0.938 8.427 1.00 0.29 C ATOM 874 C ASP A 833 6.613 1.286 6.953 1.00 0.24 C ATOM 875 O ASP A 833 7.320 0.775 6.072 1.00 0.23 O ATOM 876 CB ASP A 833 5.690 0.065 8.973 1.00 0.38 C ATOM 877 CG ASP A 833 4.503 0.853 9.518 1.00 1.21 C ATOM 878 OD1 ASP A 833 4.392 2.054 9.194 1.00 2.14 O ATOM 879 OD2 ASP A 833 3.680 0.293 10.269 1.00 1.50 O ATOM 0 H ASP A 833 6.325 2.226 9.999 1.00 0.32 H new ATOM 0 HA ASP A 833 7.757 0.362 8.490 1.00 0.29 H new ATOM 0 HB2 ASP A 833 5.340 -0.593 8.178 1.00 0.38 H new ATOM 0 HB3 ASP A 833 6.082 -0.573 9.765 1.00 0.38 H new ATOM 884 N TRP A 834 5.742 2.253 6.695 1.00 0.22 N ATOM 885 CA TRP A 834 5.541 2.743 5.339 1.00 0.20 C ATOM 886 C TRP A 834 6.783 3.474 4.840 1.00 0.19 C ATOM 887 O TRP A 834 7.214 3.270 3.704 1.00 0.18 O ATOM 888 CB TRP A 834 4.319 3.661 5.256 1.00 0.23 C ATOM 889 CG TRP A 834 4.137 4.279 3.903 1.00 0.22 C ATOM 890 CD1 TRP A 834 3.917 5.593 3.626 1.00 0.26 C ATOM 891 CD2 TRP A 834 4.167 3.601 2.641 1.00 0.19 C ATOM 892 NE1 TRP A 834 3.818 5.778 2.269 1.00 0.26 N ATOM 893 CE2 TRP A 834 3.965 4.571 1.645 1.00 0.22 C ATOM 894 CE3 TRP A 834 4.350 2.269 2.256 1.00 0.18 C ATOM 895 CZ2 TRP A 834 3.939 4.253 0.292 1.00 0.22 C ATOM 896 CZ3 TRP A 834 4.325 1.957 0.912 1.00 0.18 C ATOM 897 CH2 TRP A 834 4.122 2.944 -0.054 1.00 0.19 C ATOM 0 H TRP A 834 5.167 2.711 7.402 1.00 0.22 H new ATOM 0 HA TRP A 834 5.362 1.879 4.699 1.00 0.20 H new ATOM 0 HB2 TRP A 834 3.426 3.091 5.511 1.00 0.23 H new ATOM 0 HB3 TRP A 834 4.415 4.452 6.000 1.00 0.23 H new ATOM 0 HD1 TRP A 834 3.833 6.376 4.365 1.00 0.26 H new ATOM 0 HE1 TRP A 834 3.660 6.671 1.802 1.00 0.26 H new ATOM 0 HE3 TRP A 834 4.508 1.499 2.997 1.00 0.18 H new ATOM 0 HZ2 TRP A 834 3.780 5.013 -0.458 1.00 0.22 H new ATOM 0 HZ3 TRP A 834 4.465 0.932 0.602 1.00 0.18 H new ATOM 0 HH2 TRP A 834 4.109 2.667 -1.098 1.00 0.19 H new ATOM 908 N ASN A 835 7.370 4.306 5.696 1.00 0.22 N ATOM 909 CA ASN A 835 8.578 5.045 5.330 1.00 0.25 C ATOM 910 C ASN A 835 9.687 4.089 4.911 1.00 0.21 C ATOM 911 O ASN A 835 10.336 4.301 3.888 1.00 0.21 O ATOM 912 CB ASN A 835 9.062 5.950 6.471 1.00 0.34 C ATOM 913 CG ASN A 835 8.146 7.138 6.713 1.00 1.15 C ATOM 914 OD1 ASN A 835 7.700 7.797 5.771 1.00 1.66 O ATOM 915 ND2 ASN A 835 7.899 7.452 7.977 1.00 2.00 N ATOM 0 H ASN A 835 7.033 4.486 6.642 1.00 0.22 H new ATOM 0 HA ASN A 835 8.322 5.684 4.485 1.00 0.25 H new ATOM 0 HB2 ASN A 835 9.137 5.363 7.386 1.00 0.34 H new ATOM 0 HB3 ASN A 835 10.064 6.311 6.241 1.00 0.34 H new ATOM 0 HD21 ASN A 835 7.322 8.264 8.197 1.00 2.00 H new ATOM 0 HD22 ASN A 835 8.286 6.882 8.729 1.00 2.00 H new ATOM 922 N VAL A 836 9.825 2.988 5.642 1.00 0.22 N ATOM 923 CA VAL A 836 10.787 1.953 5.294 1.00 0.25 C ATOM 924 C VAL A 836 10.480 1.372 3.917 1.00 0.19 C ATOM 925 O VAL A 836 11.374 1.265 3.081 1.00 0.19 O ATOM 926 CB VAL A 836 10.818 0.818 6.343 1.00 0.39 C ATOM 927 CG1 VAL A 836 11.712 -0.323 5.880 1.00 1.36 C ATOM 928 CG2 VAL A 836 11.299 1.344 7.687 1.00 1.22 C ATOM 0 H VAL A 836 9.280 2.791 6.481 1.00 0.22 H new ATOM 0 HA VAL A 836 11.770 2.424 5.276 1.00 0.25 H new ATOM 0 HB VAL A 836 9.803 0.439 6.457 1.00 0.39 H new ATOM 0 HG11 VAL A 836 11.718 -1.110 6.634 1.00 1.36 H new ATOM 0 HG12 VAL A 836 11.332 -0.724 4.940 1.00 1.36 H new ATOM 0 HG13 VAL A 836 12.727 0.047 5.733 1.00 1.36 H new ATOM 0 HG21 VAL A 836 11.314 0.530 8.412 1.00 1.22 H new ATOM 0 HG22 VAL A 836 12.304 1.753 7.579 1.00 1.22 H new ATOM 0 HG23 VAL A 836 10.624 2.127 8.034 1.00 1.22 H new ATOM 938 N ALA A 837 9.209 1.047 3.662 1.00 0.16 N ATOM 939 CA ALA A 837 8.816 0.527 2.353 1.00 0.15 C ATOM 940 C ALA A 837 9.182 1.511 1.246 1.00 0.15 C ATOM 941 O ALA A 837 9.801 1.131 0.256 1.00 0.19 O ATOM 942 CB ALA A 837 7.328 0.214 2.299 1.00 0.17 C ATOM 0 H ALA A 837 8.447 1.133 4.334 1.00 0.16 H new ATOM 0 HA ALA A 837 9.364 -0.402 2.196 1.00 0.15 H new ATOM 0 HB1 ALA A 837 7.073 -0.170 1.311 1.00 0.17 H new ATOM 0 HB2 ALA A 837 7.086 -0.535 3.053 1.00 0.17 H new ATOM 0 HB3 ALA A 837 6.758 1.122 2.494 1.00 0.17 H new ATOM 948 N LYS A 838 8.834 2.781 1.439 1.00 0.14 N ATOM 949 CA LYS A 838 9.151 3.818 0.459 1.00 0.19 C ATOM 950 C LYS A 838 10.648 3.879 0.185 1.00 0.20 C ATOM 951 O LYS A 838 11.074 3.898 -0.972 1.00 0.24 O ATOM 952 CB LYS A 838 8.685 5.189 0.939 1.00 0.23 C ATOM 953 CG LYS A 838 7.216 5.253 1.296 1.00 0.23 C ATOM 954 CD LYS A 838 6.759 6.693 1.457 1.00 0.40 C ATOM 955 CE LYS A 838 7.377 7.341 2.685 1.00 0.49 C ATOM 956 NZ LYS A 838 6.838 8.703 2.940 1.00 1.22 N ATOM 0 H LYS A 838 8.334 3.117 2.262 1.00 0.14 H new ATOM 0 HA LYS A 838 8.626 3.556 -0.460 1.00 0.19 H new ATOM 0 HB2 LYS A 838 9.273 5.476 1.811 1.00 0.23 H new ATOM 0 HB3 LYS A 838 8.891 5.924 0.161 1.00 0.23 H new ATOM 0 HG2 LYS A 838 6.627 4.765 0.519 1.00 0.23 H new ATOM 0 HG3 LYS A 838 7.038 4.705 2.222 1.00 0.23 H new ATOM 0 HD2 LYS A 838 7.030 7.263 0.568 1.00 0.40 H new ATOM 0 HD3 LYS A 838 5.672 6.724 1.536 1.00 0.40 H new ATOM 0 HE2 LYS A 838 7.193 6.712 3.556 1.00 0.49 H new ATOM 0 HE3 LYS A 838 8.458 7.399 2.556 1.00 0.49 H new ATOM 0 HZ1 LYS A 838 6.937 8.932 3.950 1.00 1.22 H new ATOM 0 HZ2 LYS A 838 7.367 9.397 2.374 1.00 1.22 H new ATOM 0 HZ3 LYS A 838 5.833 8.734 2.675 1.00 1.22 H new ATOM 970 N GLU A 839 11.442 3.915 1.251 1.00 0.21 N ATOM 971 CA GLU A 839 12.888 3.977 1.118 1.00 0.26 C ATOM 972 C GLU A 839 13.413 2.725 0.434 1.00 0.27 C ATOM 973 O GLU A 839 14.202 2.810 -0.499 1.00 0.31 O ATOM 974 CB GLU A 839 13.561 4.152 2.481 1.00 0.32 C ATOM 975 CG GLU A 839 13.195 5.452 3.177 1.00 0.47 C ATOM 976 CD GLU A 839 14.045 5.717 4.401 1.00 1.34 C ATOM 977 OE1 GLU A 839 14.058 4.862 5.312 1.00 2.22 O ATOM 978 OE2 GLU A 839 14.706 6.775 4.461 1.00 1.85 O ATOM 0 H GLU A 839 11.106 3.902 2.214 1.00 0.21 H new ATOM 0 HA GLU A 839 13.130 4.844 0.504 1.00 0.26 H new ATOM 0 HB2 GLU A 839 13.285 3.316 3.123 1.00 0.32 H new ATOM 0 HB3 GLU A 839 14.642 4.111 2.351 1.00 0.32 H new ATOM 0 HG2 GLU A 839 13.307 6.279 2.476 1.00 0.47 H new ATOM 0 HG3 GLU A 839 12.145 5.421 3.468 1.00 0.47 H new ATOM 985 N MET A 840 12.900 1.575 0.846 1.00 0.27 N ATOM 986 CA MET A 840 13.261 0.302 0.235 1.00 0.31 C ATOM 987 C MET A 840 13.052 0.355 -1.278 1.00 0.34 C ATOM 988 O MET A 840 13.969 0.061 -2.053 1.00 0.40 O ATOM 989 CB MET A 840 12.433 -0.827 0.875 1.00 0.32 C ATOM 990 CG MET A 840 12.496 -2.165 0.149 1.00 0.36 C ATOM 991 SD MET A 840 11.238 -2.330 -1.138 1.00 0.76 S ATOM 992 CE MET A 840 9.731 -2.142 -0.176 1.00 0.35 C ATOM 0 H MET A 840 12.226 1.497 1.608 1.00 0.27 H new ATOM 0 HA MET A 840 14.318 0.102 0.413 1.00 0.31 H new ATOM 0 HB2 MET A 840 12.774 -0.971 1.900 1.00 0.32 H new ATOM 0 HB3 MET A 840 11.392 -0.508 0.928 1.00 0.32 H new ATOM 0 HG2 MET A 840 13.483 -2.283 -0.298 1.00 0.36 H new ATOM 0 HG3 MET A 840 12.375 -2.971 0.873 1.00 0.36 H new ATOM 0 HE1 MET A 840 8.883 -2.512 -0.752 1.00 0.35 H new ATOM 0 HE2 MET A 840 9.817 -2.711 0.750 1.00 0.35 H new ATOM 0 HE3 MET A 840 9.578 -1.089 0.058 1.00 0.35 H new ATOM 1002 N LEU A 841 11.875 0.813 -1.688 1.00 0.30 N ATOM 1003 CA LEU A 841 11.544 0.938 -3.100 1.00 0.35 C ATOM 1004 C LEU A 841 12.479 1.920 -3.801 1.00 0.39 C ATOM 1005 O LEU A 841 13.148 1.577 -4.780 1.00 0.50 O ATOM 1006 CB LEU A 841 10.100 1.441 -3.256 1.00 0.33 C ATOM 1007 CG LEU A 841 9.018 0.598 -2.577 1.00 0.35 C ATOM 1008 CD1 LEU A 841 7.733 1.398 -2.443 1.00 0.62 C ATOM 1009 CD2 LEU A 841 8.760 -0.675 -3.361 1.00 0.62 C ATOM 0 H LEU A 841 11.130 1.106 -1.056 1.00 0.30 H new ATOM 0 HA LEU A 841 11.655 -0.046 -3.555 1.00 0.35 H new ATOM 0 HB2 LEU A 841 10.045 2.455 -2.859 1.00 0.33 H new ATOM 0 HB3 LEU A 841 9.871 1.502 -4.320 1.00 0.33 H new ATOM 0 HG LEU A 841 9.370 0.326 -1.582 1.00 0.35 H new ATOM 0 HD11 LEU A 841 6.972 0.786 -1.958 1.00 0.62 H new ATOM 0 HD12 LEU A 841 7.920 2.288 -1.842 1.00 0.62 H new ATOM 0 HD13 LEU A 841 7.384 1.695 -3.432 1.00 0.62 H new ATOM 0 HD21 LEU A 841 7.988 -1.260 -2.861 1.00 0.62 H new ATOM 0 HD22 LEU A 841 8.429 -0.421 -4.368 1.00 0.62 H new ATOM 0 HD23 LEU A 841 9.678 -1.260 -3.418 1.00 0.62 H new ATOM 1021 N ALA A 842 12.492 3.147 -3.303 1.00 0.36 N ATOM 1022 CA ALA A 842 13.228 4.233 -3.935 1.00 0.44 C ATOM 1023 C ALA A 842 14.733 3.990 -3.945 1.00 0.52 C ATOM 1024 O ALA A 842 15.381 4.182 -4.973 1.00 0.61 O ATOM 1025 CB ALA A 842 12.903 5.546 -3.245 1.00 0.47 C ATOM 0 H ALA A 842 11.996 3.418 -2.454 1.00 0.36 H new ATOM 0 HA ALA A 842 12.912 4.281 -4.977 1.00 0.44 H new ATOM 0 HB1 ALA A 842 13.457 6.355 -3.722 1.00 0.47 H new ATOM 0 HB2 ALA A 842 11.834 5.743 -3.323 1.00 0.47 H new ATOM 0 HB3 ALA A 842 13.185 5.484 -2.194 1.00 0.47 H new ATOM 1031 N GLU A 843 15.281 3.587 -2.811 1.00 0.53 N ATOM 1032 CA GLU A 843 16.716 3.365 -2.701 1.00 0.66 C ATOM 1033 C GLU A 843 17.164 2.199 -3.572 1.00 0.71 C ATOM 1034 O GLU A 843 18.122 2.328 -4.335 1.00 0.81 O ATOM 1035 CB GLU A 843 17.121 3.110 -1.247 1.00 0.71 C ATOM 1036 CG GLU A 843 16.917 4.304 -0.325 1.00 1.45 C ATOM 1037 CD GLU A 843 17.844 5.460 -0.640 1.00 2.11 C ATOM 1038 OE1 GLU A 843 17.686 6.072 -1.715 1.00 2.92 O ATOM 1039 OE2 GLU A 843 18.738 5.757 0.179 1.00 2.43 O ATOM 0 H GLU A 843 14.757 3.407 -1.955 1.00 0.53 H new ATOM 0 HA GLU A 843 17.211 4.270 -3.052 1.00 0.66 H new ATOM 0 HB2 GLU A 843 16.546 2.267 -0.864 1.00 0.71 H new ATOM 0 HB3 GLU A 843 18.171 2.819 -1.220 1.00 0.71 H new ATOM 0 HG2 GLU A 843 15.884 4.643 -0.401 1.00 1.45 H new ATOM 0 HG3 GLU A 843 17.074 3.990 0.707 1.00 1.45 H new ATOM 1046 N ASN A 844 16.517 1.045 -3.423 1.00 0.67 N ATOM 1047 CA ASN A 844 16.939 -0.144 -4.156 1.00 0.80 C ATOM 1048 C ASN A 844 16.683 -0.012 -5.653 1.00 0.79 C ATOM 1049 O ASN A 844 17.631 -0.023 -6.438 1.00 1.11 O ATOM 1050 CB ASN A 844 16.243 -1.396 -3.623 1.00 0.85 C ATOM 1051 CG ASN A 844 16.779 -1.838 -2.277 1.00 0.97 C ATOM 1052 OD1 ASN A 844 17.933 -2.247 -2.157 1.00 1.53 O ATOM 1053 ND2 ASN A 844 15.947 -1.752 -1.252 1.00 1.15 N ATOM 0 H ASN A 844 15.712 0.909 -2.812 1.00 0.67 H new ATOM 0 HA ASN A 844 18.014 -0.241 -4.002 1.00 0.80 H new ATOM 0 HB2 ASN A 844 15.174 -1.203 -3.537 1.00 0.85 H new ATOM 0 HB3 ASN A 844 16.364 -2.207 -4.341 1.00 0.85 H new ATOM 0 HD21 ASN A 844 16.255 -2.030 -0.320 1.00 1.15 H new ATOM 0 HD22 ASN A 844 14.997 -1.407 -1.393 1.00 1.15 H new ATOM 1060 N ASN A 845 15.406 0.197 -6.018 1.00 0.62 N ATOM 1061 CA ASN A 845 14.969 0.344 -7.423 1.00 0.71 C ATOM 1062 C ASN A 845 13.493 -0.016 -7.551 1.00 0.61 C ATOM 1063 O ASN A 845 12.822 0.393 -8.499 1.00 0.71 O ATOM 1064 CB ASN A 845 15.785 -0.522 -8.409 1.00 0.92 C ATOM 1065 CG ASN A 845 15.781 -2.012 -8.086 1.00 1.38 C ATOM 1066 OD1 ASN A 845 14.743 -2.673 -8.108 1.00 1.90 O ATOM 1067 ND2 ASN A 845 16.953 -2.553 -7.792 1.00 1.48 N ATOM 0 H ASN A 845 14.642 0.269 -5.346 1.00 0.62 H new ATOM 0 HA ASN A 845 15.137 1.388 -7.689 1.00 0.71 H new ATOM 0 HB2 ASN A 845 15.388 -0.379 -9.414 1.00 0.92 H new ATOM 0 HB3 ASN A 845 16.816 -0.167 -8.419 1.00 0.92 H new ATOM 0 HD21 ASN A 845 17.015 -3.548 -7.574 1.00 1.48 H new ATOM 0 HD22 ASN A 845 17.794 -1.975 -7.783 1.00 1.48 H new ATOM 1074 N GLU A 846 13.041 -0.888 -6.656 1.00 0.55 N ATOM 1075 CA GLU A 846 11.690 -1.438 -6.706 1.00 0.63 C ATOM 1076 C GLU A 846 10.630 -0.341 -6.624 1.00 0.73 C ATOM 1077 O GLU A 846 10.914 0.788 -6.233 1.00 1.49 O ATOM 1078 CB GLU A 846 11.504 -2.439 -5.563 1.00 0.77 C ATOM 1079 CG GLU A 846 10.680 -3.662 -5.938 1.00 1.40 C ATOM 1080 CD GLU A 846 11.312 -4.474 -7.054 1.00 2.19 C ATOM 1081 OE1 GLU A 846 11.385 -3.974 -8.192 1.00 2.97 O ATOM 1082 OE2 GLU A 846 11.727 -5.625 -6.799 1.00 2.54 O ATOM 0 H GLU A 846 13.600 -1.234 -5.876 1.00 0.55 H new ATOM 0 HA GLU A 846 11.564 -1.944 -7.663 1.00 0.63 H new ATOM 0 HB2 GLU A 846 12.485 -2.767 -5.218 1.00 0.77 H new ATOM 0 HB3 GLU A 846 11.024 -1.933 -4.725 1.00 0.77 H new ATOM 0 HG2 GLU A 846 10.556 -4.295 -5.059 1.00 1.40 H new ATOM 0 HG3 GLU A 846 9.684 -3.344 -6.245 1.00 1.40 H new ATOM 1089 N LYS A 847 9.424 -0.657 -7.063 1.00 0.42 N ATOM 1090 CA LYS A 847 8.339 0.313 -7.061 1.00 0.37 C ATOM 1091 C LYS A 847 6.983 -0.395 -7.028 1.00 0.35 C ATOM 1092 O LYS A 847 6.004 0.152 -6.515 1.00 0.44 O ATOM 1093 CB LYS A 847 8.437 1.229 -8.284 1.00 0.44 C ATOM 1094 CG LYS A 847 8.033 2.669 -7.996 1.00 0.63 C ATOM 1095 CD LYS A 847 9.003 3.366 -7.045 1.00 1.29 C ATOM 1096 CE LYS A 847 10.251 3.871 -7.759 1.00 1.80 C ATOM 1097 NZ LYS A 847 11.165 2.768 -8.156 1.00 2.40 N ATOM 0 H LYS A 847 9.170 -1.576 -7.425 1.00 0.42 H new ATOM 0 HA LYS A 847 8.427 0.925 -6.163 1.00 0.37 H new ATOM 0 HB2 LYS A 847 9.461 1.215 -8.658 1.00 0.44 H new ATOM 0 HB3 LYS A 847 7.802 0.833 -9.077 1.00 0.44 H new ATOM 0 HG2 LYS A 847 7.985 3.224 -8.933 1.00 0.63 H new ATOM 0 HG3 LYS A 847 7.032 2.683 -7.565 1.00 0.63 H new ATOM 0 HD2 LYS A 847 8.498 4.204 -6.564 1.00 1.29 H new ATOM 0 HD3 LYS A 847 9.294 2.674 -6.255 1.00 1.29 H new ATOM 0 HE2 LYS A 847 9.956 4.432 -8.646 1.00 1.80 H new ATOM 0 HE3 LYS A 847 10.784 4.563 -7.107 1.00 1.80 H new ATOM 0 HZ1 LYS A 847 12.149 3.103 -8.122 1.00 2.40 H new ATOM 0 HZ2 LYS A 847 11.049 1.968 -7.501 1.00 2.40 H new ATOM 0 HZ3 LYS A 847 10.938 2.460 -9.123 1.00 2.40 H new ATOM 1111 N PHE A 848 6.940 -1.622 -7.556 1.00 0.32 N ATOM 1112 CA PHE A 848 5.724 -2.429 -7.543 1.00 0.30 C ATOM 1113 C PHE A 848 5.307 -2.722 -6.111 1.00 0.24 C ATOM 1114 O PHE A 848 6.101 -3.250 -5.325 1.00 0.21 O ATOM 1115 CB PHE A 848 5.960 -3.758 -8.263 1.00 0.31 C ATOM 1116 CG PHE A 848 4.720 -4.385 -8.843 1.00 0.35 C ATOM 1117 CD1 PHE A 848 4.195 -3.960 -10.058 1.00 0.46 C ATOM 1118 CD2 PHE A 848 4.065 -5.391 -8.152 1.00 0.35 C ATOM 1119 CE1 PHE A 848 3.045 -4.534 -10.565 1.00 0.54 C ATOM 1120 CE2 PHE A 848 2.915 -5.961 -8.655 1.00 0.42 C ATOM 1121 CZ PHE A 848 2.463 -5.551 -9.965 1.00 0.52 C ATOM 0 H PHE A 848 7.739 -2.076 -7.999 1.00 0.32 H new ATOM 0 HA PHE A 848 4.939 -1.869 -8.052 1.00 0.30 H new ATOM 0 HB2 PHE A 848 6.680 -3.599 -9.066 1.00 0.31 H new ATOM 0 HB3 PHE A 848 6.413 -4.460 -7.563 1.00 0.31 H new ATOM 0 HD1 PHE A 848 4.690 -3.175 -10.610 1.00 0.46 H new ATOM 0 HD2 PHE A 848 4.460 -5.733 -7.207 1.00 0.35 H new ATOM 0 HE1 PHE A 848 2.614 -4.140 -11.473 1.00 0.54 H new ATOM 0 HE2 PHE A 848 2.366 -6.695 -8.085 1.00 0.42 H new ATOM 0 HZ PHE A 848 1.653 -6.076 -10.449 1.00 0.52 H new ATOM 1131 N LEU A 849 4.058 -2.432 -5.791 1.00 0.22 N ATOM 1132 CA LEU A 849 3.546 -2.678 -4.461 1.00 0.18 C ATOM 1133 C LEU A 849 2.248 -3.476 -4.530 1.00 0.17 C ATOM 1134 O LEU A 849 1.443 -3.317 -5.447 1.00 0.19 O ATOM 1135 CB LEU A 849 3.314 -1.355 -3.721 1.00 0.20 C ATOM 1136 CG LEU A 849 3.155 -1.470 -2.205 1.00 0.24 C ATOM 1137 CD1 LEU A 849 4.431 -2.007 -1.577 1.00 0.56 C ATOM 1138 CD2 LEU A 849 2.810 -0.118 -1.614 1.00 0.55 C ATOM 0 H LEU A 849 3.382 -2.026 -6.437 1.00 0.22 H new ATOM 0 HA LEU A 849 4.286 -3.259 -3.911 1.00 0.18 H new ATOM 0 HB2 LEU A 849 4.151 -0.689 -3.932 1.00 0.20 H new ATOM 0 HB3 LEU A 849 2.420 -0.883 -4.128 1.00 0.20 H new ATOM 0 HG LEU A 849 2.344 -2.166 -1.991 1.00 0.24 H new ATOM 0 HD11 LEU A 849 4.301 -2.083 -0.497 1.00 0.56 H new ATOM 0 HD12 LEU A 849 4.651 -2.993 -1.986 1.00 0.56 H new ATOM 0 HD13 LEU A 849 5.257 -1.331 -1.796 1.00 0.56 H new ATOM 0 HD21 LEU A 849 2.699 -0.211 -0.534 1.00 0.55 H new ATOM 0 HD22 LEU A 849 3.607 0.591 -1.837 1.00 0.55 H new ATOM 0 HD23 LEU A 849 1.875 0.240 -2.045 1.00 0.55 H new ATOM 1150 N ASN A 850 2.084 -4.366 -3.580 1.00 0.16 N ATOM 1151 CA ASN A 850 0.916 -5.223 -3.501 1.00 0.17 C ATOM 1152 C ASN A 850 0.343 -5.121 -2.104 1.00 0.17 C ATOM 1153 O ASN A 850 1.075 -4.820 -1.168 1.00 0.16 O ATOM 1154 CB ASN A 850 1.278 -6.678 -3.812 1.00 0.19 C ATOM 1155 CG ASN A 850 1.753 -6.884 -5.237 1.00 0.34 C ATOM 1156 OD1 ASN A 850 0.988 -6.740 -6.193 1.00 0.96 O ATOM 1157 ND2 ASN A 850 3.026 -7.227 -5.388 1.00 0.45 N ATOM 0 H ASN A 850 2.761 -4.520 -2.832 1.00 0.16 H new ATOM 0 HA ASN A 850 0.182 -4.899 -4.238 1.00 0.17 H new ATOM 0 HB2 ASN A 850 2.058 -7.006 -3.125 1.00 0.19 H new ATOM 0 HB3 ASN A 850 0.408 -7.309 -3.631 1.00 0.19 H new ATOM 0 HD21 ASN A 850 3.405 -7.382 -6.322 1.00 0.45 H new ATOM 0 HD22 ASN A 850 3.625 -7.336 -4.570 1.00 0.45 H new ATOM 1164 N ILE A 851 -0.964 -5.222 -1.975 1.00 0.18 N ATOM 1165 CA ILE A 851 -1.607 -5.008 -0.688 1.00 0.21 C ATOM 1166 C ILE A 851 -2.470 -6.203 -0.346 1.00 0.24 C ATOM 1167 O ILE A 851 -3.342 -6.591 -1.121 1.00 0.26 O ATOM 1168 CB ILE A 851 -2.534 -3.765 -0.674 1.00 0.25 C ATOM 1169 CG1 ILE A 851 -2.127 -2.728 -1.721 1.00 0.24 C ATOM 1170 CG2 ILE A 851 -2.559 -3.126 0.703 1.00 0.35 C ATOM 1171 CD1 ILE A 851 -0.771 -2.083 -1.491 1.00 0.28 C ATOM 0 H ILE A 851 -1.601 -5.449 -2.738 1.00 0.18 H new ATOM 0 HA ILE A 851 -0.802 -4.858 0.032 1.00 0.21 H new ATOM 0 HB ILE A 851 -3.535 -4.116 -0.926 1.00 0.25 H new ATOM 0 HG12 ILE A 851 -2.124 -3.205 -2.701 1.00 0.24 H new ATOM 0 HG13 ILE A 851 -2.885 -1.945 -1.749 1.00 0.24 H new ATOM 0 HG21 ILE A 851 -3.216 -2.256 0.689 1.00 0.35 H new ATOM 0 HG22 ILE A 851 -2.928 -3.847 1.432 1.00 0.35 H new ATOM 0 HG23 ILE A 851 -1.551 -2.815 0.978 1.00 0.35 H new ATOM 0 HD11 ILE A 851 -0.571 -1.363 -2.284 1.00 0.28 H new ATOM 0 HD12 ILE A 851 -0.770 -1.572 -0.528 1.00 0.28 H new ATOM 0 HD13 ILE A 851 0.003 -2.851 -1.495 1.00 0.28 H new ATOM 1183 N ARG A 852 -2.264 -6.755 0.833 1.00 0.30 N ATOM 1184 CA ARG A 852 -3.096 -7.829 1.300 1.00 0.37 C ATOM 1185 C ARG A 852 -4.125 -7.295 2.273 1.00 0.39 C ATOM 1186 O ARG A 852 -3.788 -6.826 3.359 1.00 0.43 O ATOM 1187 CB ARG A 852 -2.281 -8.918 1.969 1.00 0.46 C ATOM 1188 CG ARG A 852 -3.123 -10.099 2.420 1.00 0.60 C ATOM 1189 CD ARG A 852 -2.294 -11.078 3.223 1.00 0.70 C ATOM 1190 NE ARG A 852 -3.110 -12.107 3.877 1.00 1.27 N ATOM 1191 CZ ARG A 852 -2.614 -13.112 4.604 1.00 1.63 C ATOM 1192 NH1 ARG A 852 -1.307 -13.336 4.649 1.00 1.72 N ATOM 1193 NH2 ARG A 852 -3.436 -13.925 5.262 1.00 2.38 N ATOM 0 H ARG A 852 -1.527 -6.473 1.479 1.00 0.30 H new ATOM 0 HA ARG A 852 -3.594 -8.265 0.434 1.00 0.37 H new ATOM 0 HB2 ARG A 852 -1.516 -9.268 1.277 1.00 0.46 H new ATOM 0 HB3 ARG A 852 -1.763 -8.498 2.831 1.00 0.46 H new ATOM 0 HG2 ARG A 852 -3.960 -9.745 3.022 1.00 0.60 H new ATOM 0 HG3 ARG A 852 -3.546 -10.602 1.551 1.00 0.60 H new ATOM 0 HD2 ARG A 852 -1.569 -11.558 2.566 1.00 0.70 H new ATOM 0 HD3 ARG A 852 -1.728 -10.534 3.979 1.00 0.70 H new ATOM 0 HE ARG A 852 -4.123 -12.051 3.770 1.00 1.27 H new ATOM 0 HH11 ARG A 852 -0.669 -12.738 4.125 1.00 1.72 H new ATOM 0 HH12 ARG A 852 -0.941 -14.107 5.208 1.00 1.72 H new ATOM 0 HH21 ARG A 852 -4.444 -13.781 5.211 1.00 2.38 H new ATOM 0 HH22 ARG A 852 -3.058 -14.693 5.817 1.00 2.38 H new ATOM 1207 N LEU A 853 -5.374 -7.353 1.875 1.00 0.46 N ATOM 1208 CA LEU A 853 -6.452 -6.872 2.710 1.00 0.54 C ATOM 1209 C LEU A 853 -7.041 -8.029 3.508 1.00 0.63 C ATOM 1210 O LEU A 853 -8.206 -8.391 3.337 1.00 1.15 O ATOM 1211 CB LEU A 853 -7.531 -6.218 1.862 1.00 0.71 C ATOM 1212 CG LEU A 853 -7.156 -4.933 1.100 1.00 0.59 C ATOM 1213 CD1 LEU A 853 -6.546 -3.897 2.027 1.00 1.12 C ATOM 1214 CD2 LEU A 853 -6.219 -5.233 -0.061 1.00 1.56 C ATOM 0 H LEU A 853 -5.671 -7.730 0.975 1.00 0.46 H new ATOM 0 HA LEU A 853 -6.057 -6.126 3.400 1.00 0.54 H new ATOM 0 HB2 LEU A 853 -7.877 -6.952 1.134 1.00 0.71 H new ATOM 0 HB3 LEU A 853 -8.376 -5.989 2.511 1.00 0.71 H new ATOM 0 HG LEU A 853 -8.078 -4.518 0.692 1.00 0.59 H new ATOM 0 HD11 LEU A 853 -6.293 -3.003 1.457 1.00 1.12 H new ATOM 0 HD12 LEU A 853 -7.263 -3.640 2.807 1.00 1.12 H new ATOM 0 HD13 LEU A 853 -5.644 -4.304 2.484 1.00 1.12 H new ATOM 0 HD21 LEU A 853 -5.973 -4.306 -0.579 1.00 1.56 H new ATOM 0 HD22 LEU A 853 -5.305 -5.691 0.318 1.00 1.56 H new ATOM 0 HD23 LEU A 853 -6.707 -5.918 -0.755 1.00 1.56 H new ATOM 1226 N TYR A 854 -6.186 -8.697 4.265 1.00 0.99 N ATOM 1227 CA TYR A 854 -6.577 -9.899 4.987 1.00 1.08 C ATOM 1228 C TYR A 854 -7.572 -9.577 6.099 1.00 1.25 C ATOM 1229 O TYR A 854 -8.330 -10.483 6.499 1.00 1.67 O ATOM 1230 CB TYR A 854 -5.340 -10.606 5.552 1.00 0.91 C ATOM 1231 CG TYR A 854 -4.588 -9.824 6.607 1.00 0.77 C ATOM 1232 CD1 TYR A 854 -4.956 -9.896 7.942 1.00 0.88 C ATOM 1233 CD2 TYR A 854 -3.517 -9.010 6.265 1.00 0.90 C ATOM 1234 CE1 TYR A 854 -4.278 -9.177 8.906 1.00 0.93 C ATOM 1235 CE2 TYR A 854 -2.836 -8.287 7.223 1.00 0.86 C ATOM 1236 CZ TYR A 854 -3.194 -8.404 8.546 1.00 0.79 C ATOM 1237 OH TYR A 854 -2.555 -7.643 9.500 1.00 0.92 O ATOM 1238 OXT TYR A 854 -7.593 -8.418 6.558 1.00 1.77 O ATOM 0 H TYR A 854 -5.211 -8.426 4.396 1.00 0.99 H new ATOM 0 HA TYR A 854 -7.072 -10.571 4.285 1.00 1.08 H new ATOM 0 HB2 TYR A 854 -5.648 -11.561 5.978 1.00 0.91 H new ATOM 0 HB3 TYR A 854 -4.659 -10.828 4.730 1.00 0.91 H new ATOM 0 HD1 TYR A 854 -5.785 -10.524 8.232 1.00 0.88 H new ATOM 0 HD2 TYR A 854 -3.211 -8.941 5.231 1.00 0.90 H new ATOM 0 HE1 TYR A 854 -4.595 -9.220 9.938 1.00 0.93 H new ATOM 0 HE2 TYR A 854 -2.026 -7.633 6.936 1.00 0.86 H new ATOM 0 HH TYR A 854 -1.670 -8.022 9.682 1.00 0.92 H new TER 1248 TYR A 854