USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 800 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 804 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 777 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 779 SER OG : rot 180:sc= 0 USER MOD Single : A 782 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.31) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -3.03! C(o=-3!,f=-2.6!) USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot 34:sc= -0.125 USER MOD Single : A 805 THR OG1 : rot 180:sc= 0.00967 USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 807 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.021) USER MOD Single : A 808 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 809 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.5!) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ -119:sc= -0.313 (180deg=-0.878) USER MOD Single : A 818 TYR OH : rot 15:sc= -0.62 USER MOD Single : A 819 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.37) USER MOD Single : A 830 SER OG : rot 49:sc= 0.685 USER MOD Single : A 835 ASN : amide:sc= -0.944 X(o=-0.94,f=-0.55) USER MOD Single : A 838 LYS NZ :NH3+ 178:sc= 0.865 (180deg=0.833) USER MOD Single : A 840 MET CE :methyl -132:sc= 0 (180deg=-0.254) USER MOD Single : A 844 ASN :FLIP amide:sc= -0.234 F(o=-0.79,f=-0.23) USER MOD Single : A 845 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.045) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 850 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.6!) USER MOD Single : A 854 TYR OH : rot 180:sc= -1.76! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -6.212 16.884 2.051 1.00 9.10 N ATOM 2 CA GLY A 775 -6.314 16.368 3.446 1.00 8.80 C ATOM 3 C GLY A 775 -7.263 15.192 3.559 1.00 8.11 C ATOM 4 O GLY A 775 -8.281 15.140 2.869 1.00 8.12 O ATOM 0 HA2 GLY A 775 -5.325 16.068 3.793 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -6.653 17.169 4.103 1.00 8.80 H new ATOM 10 N ALA A 776 -6.924 14.245 4.431 1.00 7.81 N ATOM 11 CA ALA A 776 -7.748 13.060 4.638 1.00 7.43 C ATOM 12 C ALA A 776 -7.985 12.319 3.326 1.00 6.66 C ATOM 13 O ALA A 776 -9.119 11.982 2.986 1.00 6.79 O ATOM 14 CB ALA A 776 -9.074 13.440 5.281 1.00 8.12 C ATOM 0 H ALA A 776 -6.082 14.277 5.006 1.00 7.81 H new ATOM 0 HA ALA A 776 -7.212 12.391 5.311 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -9.677 12.544 5.428 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -8.888 13.915 6.244 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -9.608 14.134 4.631 1.00 8.12 H new ATOM 20 N MET A 777 -6.906 12.068 2.590 1.00 6.18 N ATOM 21 CA MET A 777 -6.994 11.366 1.314 1.00 5.71 C ATOM 22 C MET A 777 -7.184 9.869 1.531 1.00 5.06 C ATOM 23 O MET A 777 -7.970 9.226 0.833 1.00 5.55 O ATOM 24 CB MET A 777 -5.735 11.619 0.482 1.00 6.17 C ATOM 25 CG MET A 777 -5.626 13.041 -0.043 1.00 6.70 C ATOM 26 SD MET A 777 -3.958 13.452 -0.589 1.00 7.49 S ATOM 27 CE MET A 777 -4.181 13.481 -2.366 1.00 8.34 C ATOM 0 H MET A 777 -5.960 12.341 2.856 1.00 6.18 H new ATOM 0 HA MET A 777 -7.860 11.749 0.774 1.00 5.71 H new ATOM 0 HB2 MET A 777 -4.858 11.397 1.090 1.00 6.17 H new ATOM 0 HB3 MET A 777 -5.722 10.928 -0.361 1.00 6.17 H new ATOM 0 HG2 MET A 777 -6.319 13.172 -0.874 1.00 6.70 H new ATOM 0 HG3 MET A 777 -5.931 13.737 0.738 1.00 6.70 H new ATOM 0 HE1 MET A 777 -3.233 13.722 -2.848 1.00 8.34 H new ATOM 0 HE2 MET A 777 -4.522 12.503 -2.706 1.00 8.34 H new ATOM 0 HE3 MET A 777 -4.923 14.235 -2.627 1.00 8.34 H new ATOM 37 N GLY A 778 -6.460 9.320 2.502 1.00 4.25 N ATOM 38 CA GLY A 778 -6.564 7.902 2.793 1.00 3.79 C ATOM 39 C GLY A 778 -5.297 7.341 3.408 1.00 2.65 C ATOM 40 O GLY A 778 -4.192 7.651 2.962 1.00 2.91 O ATOM 0 H GLY A 778 -5.804 9.832 3.092 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -7.399 7.734 3.473 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -6.788 7.361 1.874 1.00 3.79 H new ATOM 44 N SER A 779 -5.459 6.513 4.434 1.00 1.98 N ATOM 45 CA SER A 779 -4.324 5.903 5.114 1.00 1.35 C ATOM 46 C SER A 779 -4.295 4.397 4.874 1.00 1.02 C ATOM 47 O SER A 779 -3.669 3.650 5.628 1.00 1.06 O ATOM 48 CB SER A 779 -4.391 6.190 6.616 1.00 2.12 C ATOM 49 OG SER A 779 -5.717 6.479 7.023 1.00 2.61 O ATOM 0 H SER A 779 -6.368 6.249 4.813 1.00 1.98 H new ATOM 0 HA SER A 779 -3.410 6.336 4.708 1.00 1.35 H new ATOM 0 HB2 SER A 779 -4.017 5.329 7.171 1.00 2.12 H new ATOM 0 HB3 SER A 779 -3.742 7.032 6.858 1.00 2.12 H new ATOM 0 HG SER A 779 -5.732 6.657 7.987 1.00 2.61 H new ATOM 55 N ILE A 780 -4.975 3.959 3.819 1.00 0.79 N ATOM 56 CA ILE A 780 -5.030 2.542 3.478 1.00 0.51 C ATOM 57 C ILE A 780 -4.486 2.292 2.075 1.00 0.46 C ATOM 58 O ILE A 780 -4.185 3.232 1.338 1.00 0.53 O ATOM 59 CB ILE A 780 -6.469 1.990 3.557 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.448 3.089 3.976 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.533 0.821 4.528 1.00 0.58 C ATOM 62 CD1 ILE A 780 -7.948 3.927 2.817 1.00 1.22 C ATOM 0 H ILE A 780 -5.496 4.565 3.185 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.410 2.024 4.209 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.757 1.637 2.567 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -8.301 2.633 4.479 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -6.962 3.741 4.702 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.554 0.442 4.574 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.866 0.029 4.188 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -6.225 1.154 5.519 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -8.637 4.686 3.187 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -7.103 4.412 2.328 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.463 3.287 2.101 1.00 1.22 H new ATOM 74 N PHE A 781 -4.368 1.018 1.710 1.00 0.39 N ATOM 75 CA PHE A 781 -3.871 0.638 0.398 1.00 0.36 C ATOM 76 C PHE A 781 -4.394 -0.739 0.022 1.00 0.30 C ATOM 77 O PHE A 781 -3.794 -1.759 0.354 1.00 0.35 O ATOM 78 CB PHE A 781 -2.341 0.643 0.379 1.00 0.41 C ATOM 79 CG PHE A 781 -1.755 1.425 -0.764 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.049 2.770 -0.921 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.908 0.816 -1.675 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.509 3.494 -1.968 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.363 1.535 -2.723 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.665 2.875 -2.870 1.00 0.73 C ATOM 0 H PHE A 781 -4.612 0.230 2.310 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.227 1.365 -0.331 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.976 1.059 1.318 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.983 -0.385 0.326 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.707 3.258 -0.218 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.671 -0.232 -1.566 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.747 4.542 -2.081 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.298 1.050 -3.426 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.242 3.438 -3.689 1.00 0.73 H new ATOM 94 N THR A 782 -5.523 -0.758 -0.669 1.00 0.28 N ATOM 95 CA THR A 782 -6.144 -2.007 -1.088 1.00 0.29 C ATOM 96 C THR A 782 -5.773 -2.337 -2.527 1.00 0.35 C ATOM 97 O THR A 782 -6.387 -1.838 -3.470 1.00 0.52 O ATOM 98 CB THR A 782 -7.678 -1.939 -0.967 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.082 -0.617 -0.591 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.187 -2.940 0.058 1.00 0.44 C ATOM 0 H THR A 782 -6.030 0.080 -0.953 1.00 0.28 H new ATOM 0 HA THR A 782 -5.772 -2.789 -0.427 1.00 0.29 H new ATOM 0 HB THR A 782 -8.107 -2.188 -1.938 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.059 -0.582 -0.518 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.273 -2.872 0.125 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.904 -3.948 -0.246 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.749 -2.719 1.031 1.00 0.44 H new ATOM 108 N LEU A 783 -4.752 -3.174 -2.681 1.00 0.40 N ATOM 109 CA LEU A 783 -4.277 -3.569 -4.000 1.00 0.56 C ATOM 110 C LEU A 783 -4.825 -4.938 -4.395 1.00 0.58 C ATOM 111 O LEU A 783 -4.767 -5.889 -3.616 1.00 0.99 O ATOM 112 CB LEU A 783 -2.749 -3.597 -4.010 1.00 0.67 C ATOM 113 CG LEU A 783 -2.098 -3.255 -5.349 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.451 -1.879 -5.291 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.073 -4.315 -5.716 1.00 1.53 C ATOM 0 H LEU A 783 -4.237 -3.592 -1.906 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.634 -2.839 -4.726 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.384 -2.897 -3.258 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.418 -4.591 -3.707 1.00 0.67 H new ATOM 0 HG LEU A 783 -2.869 -3.235 -6.119 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.992 -1.652 -6.253 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.209 -1.130 -5.065 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.687 -1.869 -4.513 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.615 -4.062 -6.672 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.304 -4.360 -4.945 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.565 -5.285 -5.794 1.00 1.53 H new ATOM 127 N LEU A 784 -5.348 -5.029 -5.614 1.00 0.27 N ATOM 128 CA LEU A 784 -5.896 -6.281 -6.119 1.00 0.26 C ATOM 129 C LEU A 784 -4.792 -7.318 -6.277 1.00 0.23 C ATOM 130 O LEU A 784 -3.964 -7.225 -7.185 1.00 0.29 O ATOM 131 CB LEU A 784 -6.599 -6.052 -7.459 1.00 0.31 C ATOM 132 CG LEU A 784 -7.445 -7.223 -7.966 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.622 -6.718 -8.786 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.597 -8.180 -8.789 1.00 0.75 C ATOM 0 H LEU A 784 -5.403 -4.250 -6.270 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.625 -6.654 -5.400 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.240 -5.175 -7.368 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.845 -5.819 -8.210 1.00 0.31 H new ATOM 0 HG LEU A 784 -7.833 -7.762 -7.102 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -9.211 -7.565 -9.137 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.247 -6.073 -8.167 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.253 -6.153 -9.642 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.217 -9.005 -9.140 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.178 -7.651 -9.645 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.787 -8.571 -8.173 1.00 0.75 H new ATOM 146 N VAL A 785 -4.782 -8.298 -5.385 1.00 0.25 N ATOM 147 CA VAL A 785 -3.774 -9.351 -5.417 1.00 0.30 C ATOM 148 C VAL A 785 -4.333 -10.637 -6.017 1.00 0.34 C ATOM 149 O VAL A 785 -5.528 -10.734 -6.301 1.00 0.55 O ATOM 150 CB VAL A 785 -3.231 -9.649 -4.007 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.520 -8.426 -3.443 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.355 -10.093 -3.082 1.00 1.18 C ATOM 0 H VAL A 785 -5.461 -8.387 -4.629 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.960 -8.988 -6.045 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.510 -10.463 -4.079 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.142 -8.652 -2.446 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.688 -8.156 -4.094 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.220 -7.593 -3.385 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.951 -10.299 -2.091 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.102 -9.303 -3.012 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.818 -10.996 -3.480 1.00 1.18 H new ATOM 162 N GLU A 786 -3.461 -11.622 -6.208 1.00 0.38 N ATOM 163 CA GLU A 786 -3.862 -12.904 -6.775 1.00 0.42 C ATOM 164 C GLU A 786 -3.588 -14.041 -5.794 1.00 0.46 C ATOM 165 O GLU A 786 -2.934 -13.845 -4.769 1.00 0.48 O ATOM 166 CB GLU A 786 -3.123 -13.156 -8.091 1.00 0.43 C ATOM 167 CG GLU A 786 -3.883 -14.055 -9.056 1.00 0.56 C ATOM 168 CD GLU A 786 -4.553 -13.277 -10.171 1.00 0.75 C ATOM 169 OE1 GLU A 786 -5.693 -12.808 -9.965 1.00 1.40 O ATOM 170 OE2 GLU A 786 -3.939 -13.136 -11.249 1.00 1.02 O ATOM 0 H GLU A 786 -2.470 -11.556 -5.978 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.934 -12.869 -6.971 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -2.927 -12.200 -8.576 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.155 -13.607 -7.873 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.195 -14.782 -9.488 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.637 -14.617 -8.506 1.00 0.56 H new ATOM 177 N LYS A 787 -4.093 -15.229 -6.117 1.00 0.51 N ATOM 178 CA LYS A 787 -3.904 -16.400 -5.265 1.00 0.57 C ATOM 179 C LYS A 787 -2.558 -17.065 -5.539 1.00 0.60 C ATOM 180 O LYS A 787 -2.322 -18.203 -5.135 1.00 1.07 O ATOM 181 CB LYS A 787 -5.033 -17.405 -5.491 1.00 0.64 C ATOM 182 CG LYS A 787 -5.158 -17.870 -6.933 1.00 1.29 C ATOM 183 CD LYS A 787 -6.605 -18.144 -7.307 1.00 1.49 C ATOM 184 CE LYS A 787 -6.960 -19.609 -7.119 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.940 -19.806 -6.012 1.00 2.85 N ATOM 0 H LYS A 787 -4.636 -15.406 -6.962 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.920 -16.068 -4.227 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.869 -18.272 -4.852 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.976 -16.955 -5.181 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -4.747 -17.111 -7.598 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -4.566 -18.774 -7.077 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.263 -17.527 -6.695 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.774 -17.858 -8.345 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -7.375 -20.004 -8.046 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -6.054 -20.178 -6.908 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.156 -20.819 -5.916 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.534 -19.453 -5.122 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.814 -19.284 -6.225 1.00 2.85 H new ATOM 199 N VAL A 788 -1.685 -16.344 -6.230 1.00 0.29 N ATOM 200 CA VAL A 788 -0.361 -16.854 -6.568 1.00 0.29 C ATOM 201 C VAL A 788 0.728 -15.874 -6.134 1.00 0.26 C ATOM 202 O VAL A 788 1.862 -16.270 -5.861 1.00 0.29 O ATOM 203 CB VAL A 788 -0.242 -17.118 -8.086 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.851 -15.971 -8.876 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.210 -17.334 -8.492 1.00 0.33 C ATOM 0 H VAL A 788 -1.870 -15.400 -6.569 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.226 -17.794 -6.033 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.795 -18.029 -8.314 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.758 -16.174 -9.943 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.905 -15.869 -8.616 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.327 -15.046 -8.636 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.264 -17.518 -9.565 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.793 -16.446 -8.246 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.614 -18.193 -7.956 1.00 0.33 H new ATOM 215 N TRP A 789 0.371 -14.595 -6.081 1.00 0.21 N ATOM 216 CA TRP A 789 1.308 -13.545 -5.692 1.00 0.18 C ATOM 217 C TRP A 789 2.072 -13.903 -4.425 1.00 0.18 C ATOM 218 O TRP A 789 1.475 -14.177 -3.384 1.00 0.19 O ATOM 219 CB TRP A 789 0.566 -12.229 -5.470 1.00 0.18 C ATOM 220 CG TRP A 789 0.272 -11.493 -6.738 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.283 -12.001 -8.004 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.070 -10.111 -6.859 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.032 -11.018 -8.906 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.256 -9.846 -8.228 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.240 -9.072 -5.941 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.603 -8.582 -8.700 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.584 -7.819 -6.408 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.764 -7.583 -7.778 1.00 0.30 C ATOM 0 H TRP A 789 -0.566 -14.258 -6.304 1.00 0.21 H new ATOM 0 HA TRP A 789 2.025 -13.439 -6.506 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.371 -12.431 -4.950 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.161 -11.590 -4.817 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.507 -13.027 -8.258 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.090 -11.138 -9.917 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.105 -9.246 -4.884 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.740 -8.397 -9.755 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.716 -7.008 -5.707 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.035 -6.593 -8.113 1.00 0.30 H new ATOM 239 N ASN A 790 3.396 -13.864 -4.513 1.00 0.18 N ATOM 240 CA ASN A 790 4.244 -14.148 -3.365 1.00 0.20 C ATOM 241 C ASN A 790 4.594 -12.840 -2.667 1.00 0.18 C ATOM 242 O ASN A 790 4.387 -11.766 -3.229 1.00 0.20 O ATOM 243 CB ASN A 790 5.520 -14.874 -3.796 1.00 0.24 C ATOM 244 CG ASN A 790 5.615 -15.043 -5.302 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.054 -15.981 -5.869 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.330 -14.135 -5.955 1.00 0.77 N ATOM 0 H ASN A 790 3.904 -13.638 -5.368 1.00 0.18 H new ATOM 0 HA ASN A 790 3.704 -14.799 -2.677 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.388 -14.318 -3.441 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.554 -15.855 -3.321 1.00 0.24 H new ATOM 0 HD21 ASN A 790 6.432 -14.198 -6.968 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.778 -13.374 -5.444 1.00 0.77 H new ATOM 253 N PHE A 791 5.116 -12.926 -1.448 1.00 0.20 N ATOM 254 CA PHE A 791 5.482 -11.727 -0.700 1.00 0.20 C ATOM 255 C PHE A 791 6.356 -10.820 -1.555 1.00 0.16 C ATOM 256 O PHE A 791 6.369 -9.602 -1.379 1.00 0.17 O ATOM 257 CB PHE A 791 6.203 -12.106 0.598 1.00 0.26 C ATOM 258 CG PHE A 791 6.852 -10.946 1.301 1.00 0.35 C ATOM 259 CD1 PHE A 791 6.086 -10.036 2.013 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.225 -10.763 1.247 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.678 -8.966 2.658 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.821 -9.695 1.890 1.00 0.59 C ATOM 263 CZ PHE A 791 8.056 -8.803 2.600 1.00 0.63 C ATOM 0 H PHE A 791 5.294 -13.804 -0.960 1.00 0.20 H new ATOM 0 HA PHE A 791 4.573 -11.185 -0.440 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.488 -12.573 1.275 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.964 -12.853 0.373 1.00 0.26 H new ATOM 0 HD1 PHE A 791 5.015 -10.164 2.064 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.836 -11.463 0.696 1.00 0.47 H new ATOM 0 HE1 PHE A 791 6.071 -8.260 3.205 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.891 -9.562 1.834 1.00 0.59 H new ATOM 0 HZ PHE A 791 8.525 -7.976 3.112 1.00 0.63 H new ATOM 273 N ASP A 792 7.063 -11.423 -2.503 1.00 0.17 N ATOM 274 CA ASP A 792 7.916 -10.675 -3.411 1.00 0.17 C ATOM 275 C ASP A 792 7.055 -9.895 -4.393 1.00 0.16 C ATOM 276 O ASP A 792 7.090 -8.667 -4.422 1.00 0.19 O ATOM 277 CB ASP A 792 8.844 -11.621 -4.170 1.00 0.22 C ATOM 278 CG ASP A 792 9.943 -10.884 -4.910 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.698 -10.441 -6.052 1.00 2.05 O ATOM 280 OD2 ASP A 792 11.050 -10.750 -4.347 1.00 1.47 O ATOM 0 H ASP A 792 7.061 -12.431 -2.661 1.00 0.17 H new ATOM 0 HA ASP A 792 8.525 -9.981 -2.833 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.291 -12.326 -3.469 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.260 -12.205 -4.881 1.00 0.22 H new ATOM 285 N ASP A 793 6.264 -10.621 -5.184 1.00 0.17 N ATOM 286 CA ASP A 793 5.375 -9.997 -6.157 1.00 0.18 C ATOM 287 C ASP A 793 4.491 -8.964 -5.472 1.00 0.17 C ATOM 288 O ASP A 793 4.009 -8.024 -6.104 1.00 0.24 O ATOM 289 CB ASP A 793 4.508 -11.057 -6.841 1.00 0.19 C ATOM 290 CG ASP A 793 5.116 -11.551 -8.140 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.653 -10.719 -8.900 1.00 1.07 O ATOM 292 OD2 ASP A 793 5.054 -12.771 -8.398 1.00 1.04 O ATOM 0 H ASP A 793 6.223 -11.640 -5.168 1.00 0.17 H new ATOM 0 HA ASP A 793 5.981 -9.498 -6.913 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.368 -11.900 -6.165 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.520 -10.641 -7.040 1.00 0.19 H new ATOM 297 N LEU A 794 4.297 -9.144 -4.170 1.00 0.14 N ATOM 298 CA LEU A 794 3.484 -8.225 -3.383 1.00 0.15 C ATOM 299 C LEU A 794 4.228 -6.915 -3.156 1.00 0.15 C ATOM 300 O LEU A 794 3.739 -5.840 -3.503 1.00 0.17 O ATOM 301 CB LEU A 794 3.128 -8.839 -2.026 1.00 0.19 C ATOM 302 CG LEU A 794 2.148 -8.017 -1.190 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.862 -7.751 -1.962 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.848 -8.718 0.126 1.00 0.70 C ATOM 0 H LEU A 794 4.692 -9.919 -3.637 1.00 0.14 H new ATOM 0 HA LEU A 794 2.568 -8.032 -3.941 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.702 -9.829 -2.191 1.00 0.19 H new ATOM 0 HB3 LEU A 794 4.045 -8.978 -1.454 1.00 0.19 H new ATOM 0 HG LEU A 794 2.614 -7.057 -0.970 1.00 0.26 H new ATOM 0 HD11 LEU A 794 0.182 -7.164 -1.345 1.00 0.93 H new ATOM 0 HD12 LEU A 794 1.092 -7.199 -2.873 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.391 -8.699 -2.221 1.00 0.93 H new ATOM 0 HD21 LEU A 794 1.148 -8.117 0.707 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.408 -9.695 -0.074 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.772 -8.845 0.690 1.00 0.70 H new ATOM 316 N ILE A 795 5.409 -7.020 -2.560 1.00 0.19 N ATOM 317 CA ILE A 795 6.229 -5.854 -2.265 1.00 0.22 C ATOM 318 C ILE A 795 6.558 -5.056 -3.524 1.00 0.21 C ATOM 319 O ILE A 795 6.661 -3.835 -3.472 1.00 0.23 O ATOM 320 CB ILE A 795 7.533 -6.260 -1.551 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.233 -6.721 -0.120 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.537 -5.115 -1.545 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.506 -5.687 0.716 1.00 0.32 C ATOM 0 H ILE A 795 5.821 -7.907 -2.270 1.00 0.19 H new ATOM 0 HA ILE A 795 5.643 -5.217 -1.602 1.00 0.22 H new ATOM 0 HB ILE A 795 7.977 -7.090 -2.101 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.633 -7.630 -0.159 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.170 -6.979 0.373 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.447 -5.431 -1.035 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.775 -4.835 -2.571 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.109 -4.258 -1.025 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.329 -6.086 1.715 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.113 -4.785 0.788 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.552 -5.446 0.247 1.00 0.32 H new ATOM 335 N MET A 796 6.718 -5.743 -4.649 1.00 0.23 N ATOM 336 CA MET A 796 7.034 -5.069 -5.907 1.00 0.26 C ATOM 337 C MET A 796 5.824 -4.310 -6.439 1.00 0.23 C ATOM 338 O MET A 796 5.944 -3.163 -6.871 1.00 0.22 O ATOM 339 CB MET A 796 7.517 -6.076 -6.950 1.00 0.36 C ATOM 340 CG MET A 796 8.544 -7.059 -6.417 1.00 0.46 C ATOM 341 SD MET A 796 9.591 -7.746 -7.711 1.00 0.67 S ATOM 342 CE MET A 796 11.199 -7.138 -7.207 1.00 1.53 C ATOM 0 H MET A 796 6.636 -6.757 -4.719 1.00 0.23 H new ATOM 0 HA MET A 796 7.832 -4.353 -5.710 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.660 -6.631 -7.332 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.947 -5.535 -7.793 1.00 0.36 H new ATOM 0 HG2 MET A 796 9.169 -6.559 -5.678 1.00 0.46 H new ATOM 0 HG3 MET A 796 8.030 -7.871 -5.903 1.00 0.46 H new ATOM 0 HE1 MET A 796 11.955 -7.481 -7.913 1.00 1.53 H new ATOM 0 HE2 MET A 796 11.187 -6.048 -7.190 1.00 1.53 H new ATOM 0 HE3 MET A 796 11.434 -7.514 -6.211 1.00 1.53 H new ATOM 352 N ALA A 797 4.658 -4.949 -6.399 1.00 0.26 N ATOM 353 CA ALA A 797 3.432 -4.319 -6.871 1.00 0.30 C ATOM 354 C ALA A 797 3.137 -3.081 -6.038 1.00 0.28 C ATOM 355 O ALA A 797 2.853 -2.006 -6.571 1.00 0.30 O ATOM 356 CB ALA A 797 2.271 -5.298 -6.807 1.00 0.38 C ATOM 0 H ALA A 797 4.538 -5.898 -6.046 1.00 0.26 H new ATOM 0 HA ALA A 797 3.564 -4.020 -7.911 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.364 -4.810 -7.163 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.489 -6.162 -7.435 1.00 0.38 H new ATOM 0 HB3 ALA A 797 2.127 -5.625 -5.777 1.00 0.38 H new ATOM 362 N ILE A 798 3.228 -3.242 -4.725 1.00 0.27 N ATOM 363 CA ILE A 798 2.996 -2.146 -3.801 1.00 0.31 C ATOM 364 C ILE A 798 4.039 -1.054 -4.010 1.00 0.29 C ATOM 365 O ILE A 798 3.703 0.122 -4.147 1.00 0.33 O ATOM 366 CB ILE A 798 3.047 -2.635 -2.342 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.788 -3.439 -2.009 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.206 -1.462 -1.385 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.009 -4.502 -0.955 1.00 0.50 C ATOM 0 H ILE A 798 3.462 -4.127 -4.276 1.00 0.27 H new ATOM 0 HA ILE A 798 2.003 -1.743 -3.998 1.00 0.31 H new ATOM 0 HB ILE A 798 3.914 -3.285 -2.225 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.011 -2.756 -1.667 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.418 -3.912 -2.919 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.240 -1.831 -0.360 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.131 -0.931 -1.610 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.361 -0.783 -1.499 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.074 -5.031 -0.770 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.763 -5.208 -1.303 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.349 -4.034 -0.031 1.00 0.50 H new ATOM 381 N ASN A 799 5.305 -1.460 -4.041 1.00 0.25 N ATOM 382 CA ASN A 799 6.407 -0.526 -4.243 1.00 0.29 C ATOM 383 C ASN A 799 6.242 0.235 -5.554 1.00 0.27 C ATOM 384 O ASN A 799 6.777 1.332 -5.717 1.00 0.36 O ATOM 385 CB ASN A 799 7.743 -1.264 -4.237 1.00 0.30 C ATOM 386 CG ASN A 799 8.792 -0.560 -3.398 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.762 -0.018 -3.923 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.598 -0.565 -2.084 1.00 0.78 N ATOM 0 H ASN A 799 5.593 -2.432 -3.928 1.00 0.25 H new ATOM 0 HA ASN A 799 6.394 0.190 -3.421 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.595 -2.274 -3.855 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.106 -1.360 -5.260 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.269 -0.106 -1.468 1.00 0.78 H new ATOM 0 HD22 ASN A 799 7.778 -1.027 -1.691 1.00 0.78 H new ATOM 395 N SER A 800 5.498 -0.355 -6.484 1.00 0.22 N ATOM 396 CA SER A 800 5.259 0.270 -7.778 1.00 0.25 C ATOM 397 C SER A 800 4.160 1.322 -7.671 1.00 0.28 C ATOM 398 O SER A 800 4.131 2.284 -8.437 1.00 0.33 O ATOM 399 CB SER A 800 4.874 -0.787 -8.815 1.00 0.28 C ATOM 400 OG SER A 800 6.006 -1.213 -9.555 1.00 0.98 O ATOM 0 H SER A 800 5.051 -1.264 -6.365 1.00 0.22 H new ATOM 0 HA SER A 800 6.179 0.760 -8.097 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.420 -1.642 -8.315 1.00 0.28 H new ATOM 0 HB3 SER A 800 4.125 -0.379 -9.493 1.00 0.28 H new ATOM 0 HG SER A 800 5.733 -1.889 -10.210 1.00 0.98 H new ATOM 406 N LYS A 801 3.255 1.127 -6.714 1.00 0.30 N ATOM 407 CA LYS A 801 2.152 2.057 -6.506 1.00 0.37 C ATOM 408 C LYS A 801 2.459 3.043 -5.379 1.00 0.40 C ATOM 409 O LYS A 801 1.675 3.954 -5.113 1.00 0.49 O ATOM 410 CB LYS A 801 0.868 1.290 -6.188 1.00 0.42 C ATOM 411 CG LYS A 801 0.223 0.654 -7.408 1.00 0.67 C ATOM 412 CD LYS A 801 -0.601 1.663 -8.191 1.00 1.05 C ATOM 413 CE LYS A 801 0.016 1.950 -9.550 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.689 3.055 -10.259 1.00 2.25 N ATOM 0 H LYS A 801 3.265 0.334 -6.072 1.00 0.30 H new ATOM 0 HA LYS A 801 2.017 2.624 -7.427 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.091 0.512 -5.458 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.154 1.970 -5.722 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.996 0.235 -8.053 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.414 -0.173 -7.095 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.614 1.283 -8.323 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.680 2.590 -7.623 1.00 1.05 H new ATOM 0 HE2 LYS A 801 1.066 2.212 -9.424 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -0.016 1.048 -10.161 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -0.238 3.219 -11.181 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.686 2.795 -10.403 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -0.636 3.923 -9.688 1.00 2.25 H new ATOM 428 N ILE A 802 3.601 2.860 -4.721 1.00 0.39 N ATOM 429 CA ILE A 802 3.997 3.741 -3.627 1.00 0.45 C ATOM 430 C ILE A 802 5.242 4.550 -3.985 1.00 0.50 C ATOM 431 O ILE A 802 5.414 5.677 -3.521 1.00 0.60 O ATOM 432 CB ILE A 802 4.266 2.953 -2.328 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.492 2.059 -2.484 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.048 2.130 -1.944 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.661 2.480 -1.622 1.00 0.75 C ATOM 0 H ILE A 802 4.265 2.113 -4.925 1.00 0.39 H new ATOM 0 HA ILE A 802 3.162 4.421 -3.462 1.00 0.45 H new ATOM 0 HB ILE A 802 4.465 3.667 -1.528 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.218 1.034 -2.235 1.00 0.42 H new ATOM 0 HG13 ILE A 802 5.802 2.061 -3.529 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.255 1.581 -1.026 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.196 2.792 -1.787 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.818 1.426 -2.744 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.497 1.799 -1.785 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.962 3.494 -1.887 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.368 2.451 -0.572 1.00 0.75 H new ATOM 447 N SER A 803 6.109 3.966 -4.808 1.00 0.45 N ATOM 448 CA SER A 803 7.337 4.636 -5.221 1.00 0.53 C ATOM 449 C SER A 803 7.830 4.103 -6.562 1.00 0.61 C ATOM 450 O SER A 803 8.604 3.148 -6.617 1.00 1.19 O ATOM 451 CB SER A 803 8.421 4.454 -4.156 1.00 0.60 C ATOM 452 OG SER A 803 8.424 5.535 -3.240 1.00 1.53 O ATOM 0 H SER A 803 5.984 3.033 -5.201 1.00 0.45 H new ATOM 0 HA SER A 803 7.120 5.698 -5.335 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.255 3.520 -3.620 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.397 4.377 -4.636 1.00 0.60 H new ATOM 0 HG SER A 803 7.508 5.858 -3.112 1.00 1.53 H new ATOM 458 N ASN A 804 7.377 4.731 -7.642 1.00 0.84 N ATOM 459 CA ASN A 804 7.772 4.325 -8.985 1.00 0.93 C ATOM 460 C ASN A 804 8.231 5.528 -9.801 1.00 1.53 C ATOM 461 O ASN A 804 8.758 5.380 -10.903 1.00 2.42 O ATOM 462 CB ASN A 804 6.612 3.627 -9.696 1.00 1.40 C ATOM 463 CG ASN A 804 7.087 2.563 -10.667 1.00 2.04 C ATOM 464 OD1 ASN A 804 8.223 2.600 -11.141 1.00 2.43 O ATOM 465 ND2 ASN A 804 6.216 1.606 -10.969 1.00 2.83 N ATOM 0 H ASN A 804 6.736 5.524 -7.613 1.00 0.84 H new ATOM 0 HA ASN A 804 8.604 3.627 -8.895 1.00 0.93 H new ATOM 0 HB2 ASN A 804 5.956 3.172 -8.954 1.00 1.40 H new ATOM 0 HB3 ASN A 804 6.020 4.368 -10.234 1.00 1.40 H new ATOM 0 HD21 ASN A 804 6.479 0.863 -11.617 1.00 2.83 H new ATOM 0 HD22 ASN A 804 5.285 1.614 -10.553 1.00 2.83 H new ATOM 472 N THR A 805 8.026 6.722 -9.250 1.00 1.86 N ATOM 473 CA THR A 805 8.419 7.952 -9.925 1.00 2.72 C ATOM 474 C THR A 805 9.934 8.051 -10.048 1.00 3.19 C ATOM 475 O THR A 805 10.671 7.443 -9.271 1.00 3.83 O ATOM 476 CB THR A 805 7.897 9.195 -9.179 1.00 3.49 C ATOM 477 OG1 THR A 805 6.593 8.933 -8.643 1.00 3.73 O ATOM 478 CG2 THR A 805 7.835 10.399 -10.107 1.00 4.20 C ATOM 0 H THR A 805 7.590 6.862 -8.338 1.00 1.86 H new ATOM 0 HA THR A 805 7.976 7.920 -10.920 1.00 2.72 H new ATOM 0 HB THR A 805 8.587 9.419 -8.366 1.00 3.49 H new ATOM 0 HG1 THR A 805 6.269 9.727 -8.169 1.00 3.73 H new ATOM 0 HG21 THR A 805 7.464 11.264 -9.557 1.00 4.20 H new ATOM 0 HG22 THR A 805 8.832 10.614 -10.491 1.00 4.20 H new ATOM 0 HG23 THR A 805 7.165 10.183 -10.939 1.00 4.20 H new ATOM 486 N HIS A 806 10.394 8.822 -11.028 1.00 3.41 N ATOM 487 CA HIS A 806 11.823 9.002 -11.254 1.00 4.17 C ATOM 488 C HIS A 806 12.285 10.363 -10.747 1.00 4.02 C ATOM 489 O HIS A 806 13.471 10.574 -10.496 1.00 4.30 O ATOM 490 CB HIS A 806 12.147 8.863 -12.741 1.00 5.13 C ATOM 491 CG HIS A 806 13.547 8.407 -13.006 1.00 6.08 C ATOM 492 ND1 HIS A 806 14.643 9.240 -12.901 1.00 6.75 N ATOM 493 CD2 HIS A 806 14.031 7.195 -13.371 1.00 6.77 C ATOM 494 CE1 HIS A 806 15.738 8.560 -13.189 1.00 7.67 C ATOM 495 NE2 HIS A 806 15.395 7.320 -13.479 1.00 7.69 N ATOM 0 H HIS A 806 9.797 9.332 -11.679 1.00 3.41 H new ATOM 0 HA HIS A 806 12.354 8.228 -10.700 1.00 4.17 H new ATOM 0 HB2 HIS A 806 11.451 8.155 -13.192 1.00 5.13 H new ATOM 0 HB3 HIS A 806 11.987 9.823 -13.231 1.00 5.13 H new ATOM 0 HD2 HIS A 806 13.453 6.299 -13.544 1.00 6.77 H new ATOM 0 HE1 HIS A 806 16.744 8.953 -13.187 1.00 7.67 H new ATOM 0 HE2 HIS A 806 16.039 6.574 -13.741 1.00 7.69 H new ATOM 504 N ASN A 807 11.337 11.286 -10.599 1.00 4.10 N ATOM 505 CA ASN A 807 11.646 12.630 -10.122 1.00 4.41 C ATOM 506 C ASN A 807 11.809 12.649 -8.606 1.00 4.33 C ATOM 507 O ASN A 807 11.037 12.020 -7.881 1.00 4.37 O ATOM 508 CB ASN A 807 10.543 13.606 -10.537 1.00 4.84 C ATOM 509 CG ASN A 807 10.952 14.481 -11.706 1.00 5.63 C ATOM 510 OD1 ASN A 807 10.255 14.553 -12.717 1.00 6.02 O ATOM 511 ND2 ASN A 807 12.090 15.152 -11.572 1.00 6.22 N ATOM 0 H ASN A 807 10.350 11.127 -10.802 1.00 4.10 H new ATOM 0 HA ASN A 807 12.588 12.939 -10.574 1.00 4.41 H new ATOM 0 HB2 ASN A 807 9.647 13.045 -10.803 1.00 4.84 H new ATOM 0 HB3 ASN A 807 10.283 14.238 -9.688 1.00 4.84 H new ATOM 0 HD21 ASN A 807 12.417 15.757 -12.325 1.00 6.22 H new ATOM 0 HD22 ASN A 807 12.637 15.063 -10.716 1.00 6.22 H new ATOM 518 N ASN A 808 12.819 13.378 -8.136 1.00 4.61 N ATOM 519 CA ASN A 808 13.091 13.488 -6.705 1.00 4.89 C ATOM 520 C ASN A 808 13.305 12.113 -6.078 1.00 4.54 C ATOM 521 O ASN A 808 13.493 11.121 -6.782 1.00 4.85 O ATOM 522 CB ASN A 808 11.939 14.208 -6.000 1.00 5.45 C ATOM 523 CG ASN A 808 11.974 15.707 -6.221 1.00 6.15 C ATOM 524 OD1 ASN A 808 12.566 16.448 -5.435 1.00 6.37 O ATOM 525 ND2 ASN A 808 11.340 16.164 -7.295 1.00 6.83 N ATOM 0 H ASN A 808 13.464 13.902 -8.727 1.00 4.61 H new ATOM 0 HA ASN A 808 14.006 14.067 -6.581 1.00 4.89 H new ATOM 0 HB2 ASN A 808 10.990 13.812 -6.362 1.00 5.45 H new ATOM 0 HB3 ASN A 808 11.984 14.000 -4.931 1.00 5.45 H new ATOM 0 HD21 ASN A 808 11.331 17.164 -7.495 1.00 6.83 H new ATOM 0 HD22 ASN A 808 10.862 15.515 -7.920 1.00 6.83 H new ATOM 532 N ASN A 809 13.275 12.065 -4.749 1.00 4.24 N ATOM 533 CA ASN A 809 13.464 10.813 -4.024 1.00 4.01 C ATOM 534 C ASN A 809 12.201 9.957 -4.080 1.00 3.02 C ATOM 535 O ASN A 809 11.233 10.307 -4.756 1.00 3.13 O ATOM 536 CB ASN A 809 13.840 11.095 -2.568 1.00 4.74 C ATOM 537 CG ASN A 809 14.831 10.086 -2.021 1.00 5.63 C ATOM 538 OD1 ASN A 809 15.542 9.425 -2.776 1.00 5.91 O ATOM 539 ND2 ASN A 809 14.883 9.966 -0.699 1.00 6.41 N ATOM 0 H ASN A 809 13.122 12.878 -4.153 1.00 4.24 H new ATOM 0 HA ASN A 809 14.275 10.263 -4.501 1.00 4.01 H new ATOM 0 HB2 ASN A 809 14.266 12.096 -2.493 1.00 4.74 H new ATOM 0 HB3 ASN A 809 12.939 11.085 -1.954 1.00 4.74 H new ATOM 0 HD21 ASN A 809 15.532 9.305 -0.272 1.00 6.41 H new ATOM 0 HD22 ASN A 809 14.274 10.535 -0.111 1.00 6.41 H new ATOM 546 N ILE A 810 12.218 8.836 -3.366 1.00 2.60 N ATOM 547 CA ILE A 810 11.072 7.933 -3.336 1.00 2.14 C ATOM 548 C ILE A 810 10.878 7.335 -1.946 1.00 1.67 C ATOM 549 O ILE A 810 9.777 7.367 -1.396 1.00 2.29 O ATOM 550 CB ILE A 810 11.224 6.788 -4.357 1.00 3.00 C ATOM 551 CG1 ILE A 810 12.684 6.333 -4.440 1.00 3.79 C ATOM 552 CG2 ILE A 810 10.720 7.229 -5.723 1.00 3.71 C ATOM 553 CD1 ILE A 810 12.857 4.965 -5.066 1.00 4.78 C ATOM 0 H ILE A 810 13.011 8.531 -2.801 1.00 2.60 H new ATOM 0 HA ILE A 810 10.198 8.529 -3.600 1.00 2.14 H new ATOM 0 HB ILE A 810 10.622 5.942 -4.024 1.00 3.00 H new ATOM 0 HG12 ILE A 810 13.251 7.062 -5.018 1.00 3.79 H new ATOM 0 HG13 ILE A 810 13.110 6.321 -3.437 1.00 3.79 H new ATOM 0 HG21 ILE A 810 10.833 6.411 -6.434 1.00 3.71 H new ATOM 0 HG22 ILE A 810 9.668 7.504 -5.651 1.00 3.71 H new ATOM 0 HG23 ILE A 810 11.297 8.088 -6.064 1.00 3.71 H new ATOM 0 HD11 ILE A 810 13.916 4.708 -5.092 1.00 4.78 H new ATOM 0 HD12 ILE A 810 12.318 4.224 -4.476 1.00 4.78 H new ATOM 0 HD13 ILE A 810 12.462 4.977 -6.082 1.00 4.78 H new ATOM 565 N SER A 811 11.955 6.791 -1.385 1.00 1.31 N ATOM 566 CA SER A 811 11.909 6.184 -0.059 1.00 0.97 C ATOM 567 C SER A 811 10.832 5.103 0.011 1.00 0.83 C ATOM 568 O SER A 811 9.754 5.324 0.565 1.00 0.94 O ATOM 569 CB SER A 811 11.651 7.252 1.006 1.00 1.31 C ATOM 570 OG SER A 811 12.593 8.306 0.913 1.00 1.80 O ATOM 0 H SER A 811 12.872 6.759 -1.830 1.00 1.31 H new ATOM 0 HA SER A 811 12.875 5.718 0.133 1.00 0.97 H new ATOM 0 HB2 SER A 811 10.643 7.650 0.889 1.00 1.31 H new ATOM 0 HB3 SER A 811 11.702 6.801 1.997 1.00 1.31 H new ATOM 0 HG SER A 811 12.404 8.975 1.604 1.00 1.80 H new ATOM 576 N PRO A 812 11.106 3.912 -0.555 1.00 0.70 N ATOM 577 CA PRO A 812 10.150 2.798 -0.552 1.00 0.66 C ATOM 578 C PRO A 812 9.955 2.199 0.837 1.00 0.62 C ATOM 579 O PRO A 812 10.440 2.740 1.832 1.00 0.73 O ATOM 580 CB PRO A 812 10.792 1.775 -1.492 1.00 0.70 C ATOM 581 CG PRO A 812 12.250 2.073 -1.443 1.00 0.95 C ATOM 582 CD PRO A 812 12.364 3.560 -1.240 1.00 0.77 C ATOM 0 HA PRO A 812 9.155 3.117 -0.863 1.00 0.66 H new ATOM 0 HB2 PRO A 812 10.586 0.755 -1.167 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.403 1.871 -2.506 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.732 1.530 -0.630 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.742 1.767 -2.366 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.235 3.817 -0.637 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.466 4.088 -2.188 1.00 0.77 H new ATOM 590 N ILE A 813 9.237 1.080 0.898 1.00 0.62 N ATOM 591 CA ILE A 813 8.970 0.404 2.163 1.00 0.61 C ATOM 592 C ILE A 813 8.942 -1.112 1.981 1.00 0.59 C ATOM 593 O ILE A 813 8.827 -1.607 0.861 1.00 0.75 O ATOM 594 CB ILE A 813 7.630 0.862 2.774 1.00 0.70 C ATOM 595 CG1 ILE A 813 6.589 1.074 1.672 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.825 2.137 3.583 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.170 1.187 2.187 1.00 1.94 C ATOM 0 H ILE A 813 8.829 0.622 0.083 1.00 0.62 H new ATOM 0 HA ILE A 813 9.780 0.671 2.842 1.00 0.61 H new ATOM 0 HB ILE A 813 7.267 0.083 3.445 1.00 0.70 H new ATOM 0 HG12 ILE A 813 6.838 1.979 1.119 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.645 0.244 0.967 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.871 2.448 4.008 1.00 1.05 H new ATOM 0 HG22 ILE A 813 8.537 1.952 4.387 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.207 2.925 2.934 1.00 1.05 H new ATOM 0 HD11 ILE A 813 4.489 1.336 1.349 1.00 1.94 H new ATOM 0 HD12 ILE A 813 4.901 0.272 2.715 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.097 2.034 2.869 1.00 1.94 H new ATOM 609 N THR A 814 9.046 -1.841 3.089 1.00 0.49 N ATOM 610 CA THR A 814 9.030 -3.300 3.048 1.00 0.49 C ATOM 611 C THR A 814 8.088 -3.873 4.102 1.00 0.47 C ATOM 612 O THR A 814 7.100 -4.529 3.772 1.00 0.54 O ATOM 613 CB THR A 814 10.440 -3.885 3.264 1.00 0.53 C ATOM 614 OG1 THR A 814 11.169 -3.079 4.195 1.00 1.16 O ATOM 615 CG2 THR A 814 11.202 -3.963 1.949 1.00 1.07 C ATOM 0 H THR A 814 9.142 -1.446 4.025 1.00 0.49 H new ATOM 0 HA THR A 814 8.675 -3.582 2.057 1.00 0.49 H new ATOM 0 HB THR A 814 10.332 -4.893 3.664 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.063 -3.459 4.327 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.194 -4.379 2.127 1.00 1.07 H new ATOM 0 HG22 THR A 814 10.660 -4.602 1.252 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.299 -2.964 1.525 1.00 1.07 H new ATOM 623 N LYS A 815 8.399 -3.622 5.370 1.00 0.42 N ATOM 624 CA LYS A 815 7.578 -4.116 6.470 1.00 0.42 C ATOM 625 C LYS A 815 6.379 -3.203 6.709 1.00 0.40 C ATOM 626 O LYS A 815 6.531 -1.996 6.894 1.00 0.48 O ATOM 627 CB LYS A 815 8.412 -4.223 7.748 1.00 0.49 C ATOM 628 CG LYS A 815 9.440 -5.340 7.712 1.00 0.89 C ATOM 629 CD LYS A 815 10.551 -5.105 8.723 1.00 1.30 C ATOM 630 CE LYS A 815 11.892 -4.893 8.037 1.00 1.97 C ATOM 631 NZ LYS A 815 12.782 -3.997 8.826 1.00 2.69 N ATOM 0 H LYS A 815 9.213 -3.080 5.661 1.00 0.42 H new ATOM 0 HA LYS A 815 7.210 -5.106 6.198 1.00 0.42 H new ATOM 0 HB2 LYS A 815 8.923 -3.276 7.918 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.745 -4.382 8.595 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.952 -6.292 7.920 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.866 -5.412 6.711 1.00 0.89 H new ATOM 0 HD2 LYS A 815 10.311 -4.234 9.333 1.00 1.30 H new ATOM 0 HD3 LYS A 815 10.617 -5.958 9.398 1.00 1.30 H new ATOM 0 HE2 LYS A 815 12.382 -5.856 7.892 1.00 1.97 H new ATOM 0 HE3 LYS A 815 11.730 -4.465 7.048 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 13.686 -3.877 8.326 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 12.326 -3.070 8.943 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 12.957 -4.417 9.761 1.00 2.69 H new ATOM 645 N ILE A 816 5.186 -3.790 6.704 1.00 0.36 N ATOM 646 CA ILE A 816 3.958 -3.031 6.917 1.00 0.38 C ATOM 647 C ILE A 816 2.858 -3.913 7.502 1.00 0.33 C ATOM 648 O ILE A 816 3.030 -5.122 7.645 1.00 0.37 O ATOM 649 CB ILE A 816 3.448 -2.401 5.606 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.872 -3.248 4.403 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.967 -0.979 5.468 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.031 -4.491 4.208 1.00 0.53 C ATOM 0 H ILE A 816 5.043 -4.789 6.555 1.00 0.36 H new ATOM 0 HA ILE A 816 4.200 -2.237 7.624 1.00 0.38 H new ATOM 0 HB ILE A 816 2.359 -2.371 5.636 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.816 -2.637 3.502 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.915 -3.541 4.525 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.599 -0.546 4.538 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.618 -0.381 6.310 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.057 -0.989 5.458 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.390 -5.040 3.338 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.106 -5.123 5.093 1.00 0.53 H new ATOM 0 HD13 ILE A 816 1.990 -4.206 4.053 1.00 0.53 H new ATOM 664 N LYS A 817 1.728 -3.296 7.834 1.00 0.32 N ATOM 665 CA LYS A 817 0.595 -4.021 8.399 1.00 0.31 C ATOM 666 C LYS A 817 -0.602 -3.974 7.457 1.00 0.32 C ATOM 667 O LYS A 817 -0.750 -3.034 6.676 1.00 0.59 O ATOM 668 CB LYS A 817 0.205 -3.426 9.755 1.00 0.37 C ATOM 669 CG LYS A 817 1.279 -3.573 10.817 1.00 0.39 C ATOM 670 CD LYS A 817 0.746 -4.291 12.044 1.00 0.38 C ATOM 671 CE LYS A 817 1.454 -3.838 13.312 1.00 0.50 C ATOM 672 NZ LYS A 817 0.858 -4.450 14.531 1.00 0.85 N ATOM 0 H LYS A 817 1.573 -2.294 7.721 1.00 0.32 H new ATOM 0 HA LYS A 817 0.894 -5.060 8.535 1.00 0.31 H new ATOM 0 HB2 LYS A 817 -0.023 -2.368 9.626 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.708 -3.908 10.105 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.125 -4.126 10.408 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.650 -2.588 11.101 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.324 -4.105 12.138 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.873 -5.366 11.920 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.510 -4.103 13.252 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.401 -2.752 13.389 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 0.492 -3.701 15.152 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.080 -5.083 14.257 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.585 -4.995 15.037 1.00 0.85 H new ATOM 686 N TYR A 818 -1.459 -4.985 7.541 1.00 0.23 N ATOM 687 CA TYR A 818 -2.647 -5.045 6.698 1.00 0.22 C ATOM 688 C TYR A 818 -3.894 -5.302 7.534 1.00 0.23 C ATOM 689 O TYR A 818 -3.815 -5.449 8.753 1.00 0.31 O ATOM 690 CB TYR A 818 -2.492 -6.119 5.616 1.00 0.26 C ATOM 691 CG TYR A 818 -2.284 -7.527 6.138 1.00 0.30 C ATOM 692 CD1 TYR A 818 -3.299 -8.206 6.801 1.00 0.41 C ATOM 693 CD2 TYR A 818 -1.077 -8.185 5.943 1.00 0.46 C ATOM 694 CE1 TYR A 818 -3.117 -9.498 7.253 1.00 0.51 C ATOM 695 CE2 TYR A 818 -0.886 -9.476 6.397 1.00 0.58 C ATOM 696 CZ TYR A 818 -1.908 -10.128 7.050 1.00 0.56 C ATOM 697 OH TYR A 818 -1.722 -11.415 7.500 1.00 0.71 O ATOM 0 H TYR A 818 -1.354 -5.772 8.182 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.761 -4.079 6.207 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.381 -6.109 4.985 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.647 -5.854 4.981 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -4.247 -7.715 6.966 1.00 0.41 H new ATOM 0 HD2 TYR A 818 -0.274 -7.679 5.428 1.00 0.46 H new ATOM 0 HE1 TYR A 818 -3.918 -10.012 7.763 1.00 0.51 H new ATOM 0 HE2 TYR A 818 0.061 -9.972 6.240 1.00 0.58 H new ATOM 0 HH TYR A 818 -2.590 -11.814 7.718 1.00 0.71 H new ATOM 707 N GLN A 819 -5.045 -5.362 6.873 1.00 0.27 N ATOM 708 CA GLN A 819 -6.301 -5.603 7.554 1.00 0.34 C ATOM 709 C GLN A 819 -6.628 -7.084 7.570 1.00 0.40 C ATOM 710 O GLN A 819 -6.840 -7.706 6.530 1.00 0.45 O ATOM 711 CB GLN A 819 -7.438 -4.826 6.899 1.00 0.44 C ATOM 712 CG GLN A 819 -8.482 -4.353 7.895 1.00 0.56 C ATOM 713 CD GLN A 819 -9.595 -5.363 8.104 1.00 1.14 C ATOM 714 OE1 GLN A 819 -10.009 -5.622 9.233 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.086 -5.939 7.013 1.00 1.44 N ATOM 0 H GLN A 819 -5.129 -5.246 5.863 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.192 -5.256 8.581 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -7.027 -3.964 6.374 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.917 -5.456 6.150 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -7.999 -4.148 8.851 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.911 -3.413 7.546 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.713 -5.695 6.096 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -10.836 -6.626 7.092 1.00 1.44 H new ATOM 724 N ASP A 820 -6.659 -7.631 8.767 1.00 0.43 N ATOM 725 CA ASP A 820 -6.953 -9.046 8.966 1.00 0.53 C ATOM 726 C ASP A 820 -8.440 -9.268 9.221 1.00 0.62 C ATOM 727 O ASP A 820 -9.218 -8.315 9.287 1.00 0.65 O ATOM 728 CB ASP A 820 -6.137 -9.599 10.136 1.00 0.58 C ATOM 729 CG ASP A 820 -5.881 -11.088 10.008 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.399 -11.517 8.940 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.161 -11.823 10.979 1.00 1.34 O ATOM 0 H ASP A 820 -6.483 -7.116 9.629 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.678 -9.576 8.054 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.184 -9.073 10.192 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.665 -9.403 11.069 1.00 0.58 H new ATOM 736 N GLU A 821 -8.827 -10.533 9.364 1.00 0.71 N ATOM 737 CA GLU A 821 -10.221 -10.886 9.611 1.00 0.82 C ATOM 738 C GLU A 821 -10.593 -10.666 11.076 1.00 0.83 C ATOM 739 O GLU A 821 -11.638 -11.126 11.536 1.00 0.97 O ATOM 740 CB GLU A 821 -10.474 -12.344 9.224 1.00 0.96 C ATOM 741 CG GLU A 821 -9.625 -13.339 10.001 1.00 1.10 C ATOM 742 CD GLU A 821 -10.147 -14.759 9.892 1.00 1.30 C ATOM 743 OE1 GLU A 821 -10.593 -15.144 8.791 1.00 1.62 O ATOM 744 OE2 GLU A 821 -10.109 -15.485 10.907 1.00 1.53 O ATOM 0 H GLU A 821 -8.194 -11.331 9.313 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.846 -10.237 8.997 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.527 -12.576 9.384 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.279 -12.467 8.159 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.600 -13.303 9.632 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.596 -13.046 11.050 1.00 1.10 H new ATOM 751 N ASP A 822 -9.732 -9.958 11.802 1.00 0.79 N ATOM 752 CA ASP A 822 -9.973 -9.676 13.212 1.00 0.81 C ATOM 753 C ASP A 822 -10.535 -8.271 13.390 1.00 0.73 C ATOM 754 O ASP A 822 -10.726 -7.806 14.514 1.00 0.78 O ATOM 755 CB ASP A 822 -8.678 -9.826 14.013 1.00 0.86 C ATOM 756 CG ASP A 822 -8.684 -11.055 14.902 1.00 1.20 C ATOM 757 OD1 ASP A 822 -9.181 -10.958 16.045 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.191 -12.112 14.458 1.00 1.56 O ATOM 0 H ASP A 822 -8.862 -9.570 11.437 1.00 0.79 H new ATOM 0 HA ASP A 822 -10.704 -10.394 13.584 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -7.834 -9.883 13.326 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.530 -8.938 14.627 1.00 0.86 H new ATOM 763 N GLY A 823 -10.797 -7.599 12.273 1.00 0.68 N ATOM 764 CA GLY A 823 -11.336 -6.253 12.322 1.00 0.70 C ATOM 765 C GLY A 823 -10.288 -5.222 12.695 1.00 0.67 C ATOM 766 O GLY A 823 -10.616 -4.066 12.967 1.00 0.88 O ATOM 0 H GLY A 823 -10.645 -7.964 11.333 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.761 -6.000 11.351 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.150 -6.217 13.046 1.00 0.70 H new ATOM 770 N ASP A 824 -9.027 -5.640 12.707 1.00 0.54 N ATOM 771 CA ASP A 824 -7.930 -4.750 13.047 1.00 0.57 C ATOM 772 C ASP A 824 -6.790 -4.900 12.043 1.00 0.55 C ATOM 773 O ASP A 824 -7.018 -5.214 10.872 1.00 0.93 O ATOM 774 CB ASP A 824 -7.436 -5.045 14.467 1.00 0.65 C ATOM 775 CG ASP A 824 -7.132 -3.781 15.248 1.00 1.15 C ATOM 776 OD1 ASP A 824 -8.092 -3.104 15.678 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.938 -3.468 15.429 1.00 1.48 O ATOM 0 H ASP A 824 -8.742 -6.594 12.484 1.00 0.54 H new ATOM 0 HA ASP A 824 -8.288 -3.721 13.007 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.191 -5.624 14.998 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.539 -5.662 14.416 1.00 0.65 H new ATOM 782 N PHE A 825 -5.566 -4.676 12.503 1.00 0.42 N ATOM 783 CA PHE A 825 -4.390 -4.787 11.647 1.00 0.37 C ATOM 784 C PHE A 825 -3.338 -5.689 12.282 1.00 0.38 C ATOM 785 O PHE A 825 -3.110 -5.633 13.491 1.00 0.44 O ATOM 786 CB PHE A 825 -3.789 -3.403 11.385 1.00 0.39 C ATOM 787 CG PHE A 825 -4.575 -2.581 10.399 1.00 0.41 C ATOM 788 CD1 PHE A 825 -5.745 -1.945 10.782 1.00 0.59 C ATOM 789 CD2 PHE A 825 -4.142 -2.448 9.089 1.00 0.38 C ATOM 790 CE1 PHE A 825 -6.468 -1.190 9.878 1.00 0.64 C ATOM 791 CE2 PHE A 825 -4.859 -1.693 8.180 1.00 0.43 C ATOM 792 CZ PHE A 825 -6.024 -1.064 8.574 1.00 0.52 C ATOM 0 H PHE A 825 -5.360 -4.415 13.467 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.704 -5.228 10.701 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.724 -2.860 12.328 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.771 -3.522 11.015 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -6.096 -2.040 11.799 1.00 0.59 H new ATOM 0 HD2 PHE A 825 -3.233 -2.940 8.775 1.00 0.38 H new ATOM 0 HE1 PHE A 825 -7.378 -0.699 10.189 1.00 0.64 H new ATOM 0 HE2 PHE A 825 -4.509 -1.595 7.163 1.00 0.43 H new ATOM 0 HZ PHE A 825 -6.587 -0.475 7.865 1.00 0.52 H new ATOM 802 N VAL A 826 -2.697 -6.518 11.463 1.00 0.38 N ATOM 803 CA VAL A 826 -1.664 -7.423 11.956 1.00 0.45 C ATOM 804 C VAL A 826 -0.351 -7.200 11.213 1.00 0.36 C ATOM 805 O VAL A 826 -0.298 -6.434 10.251 1.00 0.31 O ATOM 806 CB VAL A 826 -2.088 -8.899 11.827 1.00 0.54 C ATOM 807 CG1 VAL A 826 -3.463 -9.116 12.442 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.075 -9.337 10.372 1.00 0.79 C ATOM 0 H VAL A 826 -2.873 -6.582 10.460 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.522 -7.200 13.014 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.369 -9.510 12.372 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.745 -10.164 12.341 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -3.436 -8.847 13.498 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -4.194 -8.492 11.928 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -2.377 -10.382 10.304 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -2.769 -8.720 9.800 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.070 -9.223 9.967 1.00 0.79 H new ATOM 818 N VAL A 827 0.709 -7.865 11.664 1.00 0.37 N ATOM 819 CA VAL A 827 2.018 -7.719 11.038 1.00 0.33 C ATOM 820 C VAL A 827 2.306 -8.862 10.074 1.00 0.30 C ATOM 821 O VAL A 827 2.275 -10.033 10.451 1.00 0.35 O ATOM 822 CB VAL A 827 3.150 -7.655 12.083 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.252 -6.718 11.613 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.615 -7.221 13.441 1.00 0.56 C ATOM 0 H VAL A 827 0.687 -8.507 12.456 1.00 0.37 H new ATOM 0 HA VAL A 827 1.988 -6.779 10.487 1.00 0.33 H new ATOM 0 HB VAL A 827 3.570 -8.655 12.193 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.044 -6.683 12.361 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.660 -7.080 10.669 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.843 -5.718 11.471 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.434 -7.184 14.160 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.163 -6.233 13.355 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.865 -7.935 13.782 1.00 0.56 H new ATOM 834 N LEU A 828 2.590 -8.507 8.827 1.00 0.26 N ATOM 835 CA LEU A 828 2.890 -9.493 7.794 1.00 0.28 C ATOM 836 C LEU A 828 4.347 -9.939 7.880 1.00 0.46 C ATOM 837 O LEU A 828 5.260 -9.172 7.572 1.00 0.60 O ATOM 838 CB LEU A 828 2.596 -8.909 6.408 1.00 0.31 C ATOM 839 CG LEU A 828 3.193 -9.682 5.231 1.00 0.45 C ATOM 840 CD1 LEU A 828 2.257 -10.799 4.795 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.482 -8.742 4.071 1.00 0.81 C ATOM 0 H LEU A 828 2.619 -7.540 8.505 1.00 0.26 H new ATOM 0 HA LEU A 828 2.255 -10.364 7.954 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.515 -8.857 6.276 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.971 -7.886 6.376 1.00 0.31 H new ATOM 0 HG LEU A 828 4.133 -10.130 5.553 1.00 0.45 H new ATOM 0 HD11 LEU A 828 2.699 -11.338 3.957 1.00 0.66 H new ATOM 0 HD12 LEU A 828 2.100 -11.487 5.626 1.00 0.66 H new ATOM 0 HD13 LEU A 828 1.301 -10.374 4.490 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.906 -9.308 3.241 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.556 -8.266 3.749 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.191 -7.978 4.390 1.00 0.81 H new ATOM 853 N GLY A 829 4.555 -11.182 8.302 1.00 0.58 N ATOM 854 CA GLY A 829 5.901 -11.710 8.424 1.00 0.81 C ATOM 855 C GLY A 829 6.612 -11.811 7.088 1.00 0.49 C ATOM 856 O GLY A 829 7.652 -11.186 6.883 1.00 0.45 O ATOM 0 H GLY A 829 3.814 -11.834 8.562 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.479 -11.071 9.091 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.860 -12.697 8.885 1.00 0.81 H new ATOM 860 N SER A 830 6.048 -12.602 6.179 1.00 0.35 N ATOM 861 CA SER A 830 6.633 -12.787 4.856 1.00 0.23 C ATOM 862 C SER A 830 5.677 -13.563 3.953 1.00 0.19 C ATOM 863 O SER A 830 4.462 -13.371 4.018 1.00 0.20 O ATOM 864 CB SER A 830 7.974 -13.520 4.967 1.00 0.45 C ATOM 865 OG SER A 830 9.058 -12.608 4.928 1.00 1.31 O ATOM 0 H SER A 830 5.186 -13.125 6.335 1.00 0.35 H new ATOM 0 HA SER A 830 6.806 -11.806 4.413 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.006 -14.088 5.897 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.069 -14.237 4.152 1.00 0.45 H new ATOM 0 HG SER A 830 8.896 -11.880 5.564 1.00 1.31 H new ATOM 871 N ASP A 831 6.223 -14.441 3.114 1.00 0.18 N ATOM 872 CA ASP A 831 5.406 -15.241 2.209 1.00 0.18 C ATOM 873 C ASP A 831 4.450 -16.138 2.988 1.00 0.17 C ATOM 874 O ASP A 831 3.492 -16.674 2.432 1.00 0.22 O ATOM 875 CB ASP A 831 6.297 -16.088 1.298 1.00 0.23 C ATOM 876 CG ASP A 831 7.049 -17.160 2.060 1.00 1.33 C ATOM 877 OD1 ASP A 831 8.090 -16.837 2.669 1.00 2.20 O ATOM 878 OD2 ASP A 831 6.597 -18.326 2.049 1.00 1.77 O ATOM 0 H ASP A 831 7.226 -14.615 3.043 1.00 0.18 H new ATOM 0 HA ASP A 831 4.815 -14.561 1.595 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.684 -16.556 0.528 1.00 0.23 H new ATOM 0 HB3 ASP A 831 7.010 -15.441 0.788 1.00 0.23 H new ATOM 883 N GLU A 832 4.715 -16.296 4.283 1.00 0.18 N ATOM 884 CA GLU A 832 3.878 -17.126 5.142 1.00 0.21 C ATOM 885 C GLU A 832 2.554 -16.432 5.441 1.00 0.19 C ATOM 886 O GLU A 832 1.499 -16.860 4.971 1.00 0.19 O ATOM 887 CB GLU A 832 4.603 -17.449 6.448 1.00 0.26 C ATOM 888 CG GLU A 832 5.667 -18.524 6.306 1.00 0.92 C ATOM 889 CD GLU A 832 6.420 -18.770 7.598 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.034 -17.815 8.119 1.00 2.21 O ATOM 891 OE2 GLU A 832 6.398 -19.918 8.088 1.00 1.63 O ATOM 0 H GLU A 832 5.504 -15.859 4.760 1.00 0.18 H new ATOM 0 HA GLU A 832 3.672 -18.057 4.613 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.067 -16.540 6.830 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.871 -17.770 7.190 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.199 -19.453 5.980 1.00 0.92 H new ATOM 0 HG3 GLU A 832 6.372 -18.232 5.528 1.00 0.92 H new ATOM 898 N ASP A 833 2.616 -15.353 6.215 1.00 0.19 N ATOM 899 CA ASP A 833 1.420 -14.597 6.566 1.00 0.19 C ATOM 900 C ASP A 833 0.755 -14.040 5.317 1.00 0.18 C ATOM 901 O ASP A 833 -0.391 -13.600 5.360 1.00 0.18 O ATOM 902 CB ASP A 833 1.768 -13.460 7.530 1.00 0.22 C ATOM 903 CG ASP A 833 2.009 -13.953 8.943 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.643 -15.018 9.100 1.00 0.73 O ATOM 905 OD2 ASP A 833 1.564 -13.276 9.893 1.00 0.73 O ATOM 0 H ASP A 833 3.481 -14.983 6.610 1.00 0.19 H new ATOM 0 HA ASP A 833 0.722 -15.272 7.061 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.658 -12.943 7.172 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.957 -12.731 7.536 1.00 0.22 H new ATOM 910 N TRP A 834 1.476 -14.076 4.204 1.00 0.17 N ATOM 911 CA TRP A 834 0.941 -13.587 2.942 1.00 0.17 C ATOM 912 C TRP A 834 0.066 -14.655 2.297 1.00 0.17 C ATOM 913 O TRP A 834 -1.056 -14.380 1.872 1.00 0.19 O ATOM 914 CB TRP A 834 2.073 -13.179 1.998 1.00 0.19 C ATOM 915 CG TRP A 834 1.599 -12.625 0.684 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.221 -12.762 -0.521 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.416 -11.846 0.438 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.511 -12.116 -1.502 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.394 -11.550 -0.940 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.624 -11.370 1.244 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.627 -10.804 -1.526 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.635 -10.630 0.663 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.630 -10.354 -0.710 1.00 0.26 C ATOM 0 H TRP A 834 2.428 -14.437 4.150 1.00 0.17 H new ATOM 0 HA TRP A 834 0.331 -12.706 3.140 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.695 -12.433 2.493 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.706 -14.046 1.809 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.142 -13.302 -0.681 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.771 -12.065 -2.487 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.636 -11.578 2.304 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.627 -10.589 -2.584 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.442 -10.258 1.277 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.435 -9.773 -1.135 1.00 0.26 H new ATOM 934 N ASN A 835 0.581 -15.878 2.249 1.00 0.18 N ATOM 935 CA ASN A 835 -0.158 -16.997 1.677 1.00 0.20 C ATOM 936 C ASN A 835 -1.391 -17.291 2.524 1.00 0.20 C ATOM 937 O ASN A 835 -2.435 -17.693 2.010 1.00 0.23 O ATOM 938 CB ASN A 835 0.738 -18.237 1.588 1.00 0.23 C ATOM 939 CG ASN A 835 0.436 -19.269 2.660 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.498 -20.061 2.529 1.00 1.90 O ATOM 941 ND2 ASN A 835 1.227 -19.265 3.725 1.00 1.98 N ATOM 0 H ASN A 835 1.508 -16.120 2.599 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.478 -16.732 0.669 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.617 -18.695 0.607 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.781 -17.931 1.670 1.00 0.23 H new ATOM 0 HD21 ASN A 835 1.073 -19.936 4.477 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.989 -18.591 3.792 1.00 1.98 H new ATOM 948 N VAL A 836 -1.257 -17.065 3.825 1.00 0.20 N ATOM 949 CA VAL A 836 -2.352 -17.283 4.760 1.00 0.22 C ATOM 950 C VAL A 836 -3.387 -16.179 4.614 1.00 0.22 C ATOM 951 O VAL A 836 -4.569 -16.448 4.394 1.00 0.27 O ATOM 952 CB VAL A 836 -1.852 -17.324 6.219 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.010 -17.561 7.177 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.785 -18.395 6.387 1.00 0.62 C ATOM 0 H VAL A 836 -0.396 -16.729 4.257 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.801 -18.248 4.524 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.407 -16.358 6.457 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.636 -17.587 8.201 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.737 -16.755 7.076 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.488 -18.512 6.942 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.444 -18.410 7.422 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.202 -19.368 6.129 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.057 -18.176 5.731 1.00 0.62 H new ATOM 964 N ALA A 837 -2.930 -14.931 4.719 1.00 0.20 N ATOM 965 CA ALA A 837 -3.817 -13.783 4.574 1.00 0.20 C ATOM 966 C ALA A 837 -4.587 -13.876 3.263 1.00 0.20 C ATOM 967 O ALA A 837 -5.707 -13.377 3.148 1.00 0.21 O ATOM 968 CB ALA A 837 -3.030 -12.483 4.634 1.00 0.22 C ATOM 0 H ALA A 837 -1.955 -14.693 4.903 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.527 -13.790 5.401 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.712 -11.640 4.524 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.517 -12.412 5.593 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.296 -12.464 3.828 1.00 0.22 H new ATOM 974 N LYS A 838 -3.976 -14.532 2.278 1.00 0.21 N ATOM 975 CA LYS A 838 -4.601 -14.710 0.974 1.00 0.24 C ATOM 976 C LYS A 838 -5.807 -15.632 1.086 1.00 0.24 C ATOM 977 O LYS A 838 -6.886 -15.324 0.580 1.00 0.26 O ATOM 978 CB LYS A 838 -3.594 -15.285 -0.021 1.00 0.28 C ATOM 979 CG LYS A 838 -2.915 -14.230 -0.880 1.00 0.38 C ATOM 980 CD LYS A 838 -1.449 -14.560 -1.124 1.00 0.49 C ATOM 981 CE LYS A 838 -1.279 -15.920 -1.785 1.00 0.68 C ATOM 982 NZ LYS A 838 -0.915 -15.798 -3.222 1.00 0.85 N ATOM 0 H LYS A 838 -3.048 -14.948 2.361 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.936 -13.737 0.615 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.833 -15.841 0.526 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -4.104 -15.997 -0.670 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.434 -14.150 -1.835 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.993 -13.258 -0.392 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -1.003 -13.791 -1.755 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -0.911 -14.546 -0.176 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.507 -16.484 -1.262 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.205 -16.487 -1.692 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.775 -16.746 -3.626 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -1.679 -15.312 -3.734 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 -0.035 -15.250 -3.312 1.00 0.85 H new ATOM 996 N GLU A 839 -5.618 -16.763 1.762 1.00 0.26 N ATOM 997 CA GLU A 839 -6.693 -17.727 1.953 1.00 0.29 C ATOM 998 C GLU A 839 -7.851 -17.082 2.706 1.00 0.27 C ATOM 999 O GLU A 839 -9.008 -17.464 2.536 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.181 -18.950 2.716 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.345 -19.892 1.863 1.00 0.71 C ATOM 1002 CD GLU A 839 -5.940 -21.284 1.774 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -7.147 -21.396 1.472 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -5.199 -22.262 2.008 1.00 1.95 O ATOM 0 H GLU A 839 -4.730 -17.032 2.186 1.00 0.26 H new ATOM 0 HA GLU A 839 -7.049 -18.051 0.975 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.584 -18.615 3.565 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -7.032 -19.498 3.121 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -5.248 -19.478 0.859 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.340 -19.957 2.279 1.00 0.71 H new ATOM 1011 N MET A 840 -7.525 -16.091 3.532 1.00 0.25 N ATOM 1012 CA MET A 840 -8.529 -15.374 4.308 1.00 0.24 C ATOM 1013 C MET A 840 -9.390 -14.511 3.390 1.00 0.24 C ATOM 1014 O MET A 840 -10.603 -14.411 3.572 1.00 0.27 O ATOM 1015 CB MET A 840 -7.851 -14.507 5.376 1.00 0.24 C ATOM 1016 CG MET A 840 -8.686 -13.319 5.833 1.00 0.26 C ATOM 1017 SD MET A 840 -7.744 -12.153 6.835 1.00 0.30 S ATOM 1018 CE MET A 840 -6.901 -11.210 5.566 1.00 0.27 C ATOM 0 H MET A 840 -6.569 -15.767 3.680 1.00 0.25 H new ATOM 0 HA MET A 840 -9.173 -16.100 4.805 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.620 -15.129 6.241 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.902 -14.141 4.983 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.085 -12.803 4.960 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.539 -13.679 6.407 1.00 0.26 H new ATOM 0 HE1 MET A 840 -5.843 -11.128 5.816 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.009 -11.714 4.606 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.337 -10.213 5.503 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.749 -13.895 2.402 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.447 -13.043 1.446 1.00 0.24 C ATOM 1030 C LEU A 841 -10.395 -13.866 0.583 1.00 0.24 C ATOM 1031 O LEU A 841 -11.565 -13.516 0.423 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.438 -12.305 0.563 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.760 -11.103 1.223 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.486 -10.736 0.479 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.711 -9.916 1.273 1.00 0.38 C ATOM 0 H LEU A 841 -7.744 -13.970 2.242 1.00 0.22 H new ATOM 0 HA LEU A 841 -10.034 -12.312 2.002 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.668 -13.010 0.249 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.947 -11.966 -0.339 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.495 -11.374 2.245 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -6.017 -9.879 0.962 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.799 -11.582 0.494 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.728 -10.483 -0.553 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.212 -9.070 1.746 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -9.006 -9.643 0.260 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.597 -10.183 1.849 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.886 -14.964 0.035 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.688 -15.842 -0.809 1.00 0.35 C ATOM 1049 C ALA A 842 -11.839 -16.451 -0.022 1.00 0.36 C ATOM 1050 O ALA A 842 -12.854 -16.850 -0.593 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.823 -16.940 -1.398 1.00 0.49 C ATOM 0 H ALA A 842 -8.920 -15.267 0.160 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.105 -15.244 -1.620 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.435 -17.588 -2.026 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.030 -16.495 -2.000 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.382 -17.527 -0.593 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.676 -16.514 1.296 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.704 -17.066 2.168 1.00 0.42 C ATOM 1059 C GLU A 843 -13.945 -16.182 2.154 1.00 0.53 C ATOM 1060 O GLU A 843 -14.943 -16.479 2.811 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.171 -17.197 3.597 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.159 -18.625 4.113 1.00 0.57 C ATOM 1063 CD GLU A 843 -10.868 -18.974 4.828 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.545 -18.303 5.831 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -10.179 -19.917 4.384 1.00 1.68 O ATOM 0 H GLU A 843 -10.841 -16.189 1.783 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.975 -18.055 1.799 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.158 -16.797 3.636 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.781 -16.585 4.261 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -12.998 -18.769 4.794 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.305 -19.311 3.278 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.872 -15.093 1.392 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.987 -14.157 1.278 1.00 0.77 C ATOM 1074 C ASN A 844 -15.069 -13.588 -0.135 1.00 0.81 C ATOM 1075 O ASN A 844 -15.669 -12.534 -0.357 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.843 -13.016 2.289 1.00 0.89 C ATOM 1077 CG ASN A 844 -13.746 -13.267 3.303 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -14.044 -14.083 4.306 1.00 1.96 O flip ATOM 1079 ND2 ASN A 844 -12.642 -12.733 3.187 1.00 1.05 N flip ATOM 0 H ASN A 844 -13.051 -14.837 0.844 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.906 -14.702 1.493 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -14.634 -12.088 1.756 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.790 -12.877 2.811 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -12.456 -12.112 2.399 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -11.914 -12.912 3.878 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.459 -14.294 -1.084 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.456 -13.871 -2.481 1.00 0.56 C ATOM 1088 C ASN A 845 -13.786 -12.509 -2.645 1.00 0.48 C ATOM 1089 O ASN A 845 -14.064 -11.783 -3.600 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.883 -13.822 -3.031 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.954 -14.246 -4.485 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.479 -13.522 -5.330 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -15.425 -15.427 -4.784 1.00 1.97 N ATOM 0 H ASN A 845 -13.958 -15.165 -0.909 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.883 -14.605 -3.048 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.523 -14.472 -2.434 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.274 -12.810 -2.931 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -15.444 -15.766 -5.746 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -14.999 -15.995 -4.052 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.898 -12.168 -1.713 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.190 -10.895 -1.767 1.00 0.31 C ATOM 1102 C GLU A 846 -10.948 -11.005 -2.645 1.00 0.30 C ATOM 1103 O GLU A 846 -10.577 -12.097 -3.076 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.795 -10.441 -0.360 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.672 -9.329 0.192 1.00 0.44 C ATOM 1106 CD GLU A 846 -12.906 -8.214 -0.810 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.091 -7.268 -0.845 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -13.903 -8.287 -1.559 1.00 1.69 O ATOM 0 H GLU A 846 -12.654 -12.754 -0.915 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.860 -10.154 -2.202 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.841 -11.296 0.314 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.759 -10.101 -0.375 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -13.632 -9.746 0.496 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -12.207 -8.916 1.087 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.310 -9.868 -2.909 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.109 -9.842 -3.737 1.00 0.31 C ATOM 1117 C LYS A 847 -8.298 -8.574 -3.501 1.00 0.36 C ATOM 1118 O LYS A 847 -7.375 -8.270 -4.257 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.478 -9.946 -5.219 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.699 -9.123 -5.600 1.00 0.69 C ATOM 1121 CD LYS A 847 -10.878 -9.055 -7.107 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.169 -8.347 -7.482 1.00 1.32 C ATOM 1123 NZ LYS A 847 -12.674 -8.783 -8.815 1.00 1.98 N ATOM 0 H LYS A 847 -10.604 -8.955 -2.562 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.498 -10.699 -3.455 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.629 -9.621 -5.820 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.663 -10.991 -5.467 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.589 -9.559 -5.146 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.599 -8.114 -5.199 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.032 -8.531 -7.552 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -10.881 -10.064 -7.520 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -12.926 -8.547 -6.724 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.003 -7.270 -7.491 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -13.556 -8.277 -9.035 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -11.962 -8.570 -9.543 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -12.857 -9.807 -8.799 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.645 -7.836 -2.454 1.00 0.32 N ATOM 1138 CA PHE A 848 -7.940 -6.601 -2.129 1.00 0.37 C ATOM 1139 C PHE A 848 -7.335 -6.667 -0.732 1.00 0.30 C ATOM 1140 O PHE A 848 -8.037 -6.908 0.250 1.00 0.39 O ATOM 1141 CB PHE A 848 -8.885 -5.402 -2.225 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.635 -5.318 -3.524 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -8.961 -5.256 -4.735 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.021 -5.294 -3.532 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -9.655 -5.173 -5.926 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -11.719 -5.211 -4.721 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.037 -5.150 -5.920 1.00 0.98 C ATOM 0 H PHE A 848 -9.407 -8.069 -1.817 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.133 -6.479 -2.852 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.602 -5.451 -1.406 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.309 -4.487 -2.090 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -7.881 -5.273 -4.746 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.561 -5.341 -2.598 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -9.118 -5.126 -6.862 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -12.799 -5.194 -4.713 1.00 1.02 H new ATOM 0 HZ PHE A 848 -11.582 -5.085 -6.850 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.029 -6.444 -0.651 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.324 -6.467 0.624 1.00 0.23 C ATOM 1159 C LEU A 849 -5.062 -5.044 1.106 1.00 0.24 C ATOM 1160 O LEU A 849 -4.346 -4.281 0.456 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.005 -7.239 0.487 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.387 -7.781 1.788 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.318 -6.831 2.301 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -4.446 -8.025 2.860 1.00 0.74 C ATOM 0 H LEU A 849 -5.435 -6.245 -1.456 1.00 0.27 H new ATOM 0 HA LEU A 849 -5.947 -6.974 1.361 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.170 -8.079 -0.188 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.275 -6.585 0.009 1.00 0.26 H new ATOM 0 HG LEU A 849 -2.927 -8.742 1.559 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -1.890 -7.228 3.222 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -1.533 -6.727 1.551 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -2.763 -5.856 2.498 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -3.969 -8.407 3.762 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -4.956 -7.089 3.088 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.171 -8.753 2.496 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.662 -4.691 2.243 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.509 -3.356 2.813 1.00 0.29 C ATOM 1178 C ASN A 850 -4.116 -3.160 3.397 1.00 0.30 C ATOM 1179 O ASN A 850 -3.396 -4.125 3.646 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.560 -3.121 3.900 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.975 -3.181 3.361 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.434 -4.228 2.903 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.678 -2.056 3.414 1.00 0.92 N ATOM 0 H ASN A 850 -6.259 -5.314 2.787 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.649 -2.633 2.009 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.441 -3.869 4.684 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.391 -2.148 4.360 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.637 -2.037 3.067 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.259 -1.211 3.802 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.742 -1.901 3.616 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.435 -1.573 4.177 1.00 0.36 C ATOM 1192 C ILE A 851 -2.536 -0.407 5.154 1.00 0.53 C ATOM 1193 O ILE A 851 -3.421 0.439 5.031 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.419 -1.221 3.083 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.444 -2.287 1.993 1.00 0.54 C ATOM 1196 CG2 ILE A 851 -0.024 -1.072 3.668 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.561 -3.491 2.267 1.00 1.04 C ATOM 0 H ILE A 851 -4.327 -1.091 3.413 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.089 -2.462 4.705 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.695 -0.263 2.641 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.471 -2.628 1.860 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.135 -1.833 1.052 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.679 -0.822 2.873 1.00 0.53 H new ATOM 0 HG22 ILE A 851 -0.025 -0.277 4.414 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.276 -2.009 4.137 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.641 -4.197 1.440 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.475 -3.167 2.368 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.882 -3.975 3.190 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.623 -0.361 6.117 1.00 0.59 N ATOM 1210 CA ARG A 852 -1.612 0.710 7.106 1.00 0.80 C ATOM 1211 C ARG A 852 -0.491 1.698 6.810 1.00 0.83 C ATOM 1212 O ARG A 852 -0.586 2.879 7.148 1.00 1.70 O ATOM 1213 CB ARG A 852 -1.444 0.135 8.512 1.00 1.22 C ATOM 1214 CG ARG A 852 -2.540 0.559 9.479 1.00 2.24 C ATOM 1215 CD ARG A 852 -2.347 1.992 9.947 1.00 3.05 C ATOM 1216 NE ARG A 852 -3.497 2.480 10.705 1.00 3.71 N ATOM 1217 CZ ARG A 852 -3.866 3.758 10.741 1.00 4.39 C ATOM 1218 NH1 ARG A 852 -3.184 4.669 10.064 1.00 4.68 N ATOM 1219 NH2 ARG A 852 -4.923 4.122 11.456 1.00 5.09 N ATOM 0 H ARG A 852 -0.882 -1.052 6.234 1.00 0.59 H new ATOM 0 HA ARG A 852 -2.565 1.236 7.052 1.00 0.80 H new ATOM 0 HB2 ARG A 852 -1.426 -0.953 8.451 1.00 1.22 H new ATOM 0 HB3 ARG A 852 -0.479 0.448 8.910 1.00 1.22 H new ATOM 0 HG2 ARG A 852 -3.512 0.461 8.995 1.00 2.24 H new ATOM 0 HG3 ARG A 852 -2.545 -0.109 10.341 1.00 2.24 H new ATOM 0 HD2 ARG A 852 -1.452 2.054 10.566 1.00 3.05 H new ATOM 0 HD3 ARG A 852 -2.182 2.636 9.083 1.00 3.05 H new ATOM 0 HE ARG A 852 -4.047 1.804 11.235 1.00 3.71 H new ATOM 0 HH11 ARG A 852 -2.372 4.392 9.512 1.00 4.68 H new ATOM 0 HH12 ARG A 852 -3.471 5.647 10.095 1.00 4.68 H new ATOM 0 HH21 ARG A 852 -5.452 3.422 11.977 1.00 5.09 H new ATOM 0 HH22 ARG A 852 -5.207 5.101 11.484 1.00 5.09 H new ATOM 1233 N LEU A 853 0.572 1.203 6.180 1.00 0.91 N ATOM 1234 CA LEU A 853 1.719 2.034 5.833 1.00 1.58 C ATOM 1235 C LEU A 853 2.292 2.720 7.070 1.00 2.01 C ATOM 1236 O LEU A 853 2.948 3.757 6.969 1.00 2.60 O ATOM 1237 CB LEU A 853 1.324 3.079 4.786 1.00 1.88 C ATOM 1238 CG LEU A 853 1.044 2.524 3.388 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -0.352 2.914 2.930 1.00 1.95 C ATOM 1240 CD2 LEU A 853 2.089 3.020 2.400 1.00 2.38 C ATOM 0 H LEU A 853 0.661 0.227 5.899 1.00 0.91 H new ATOM 0 HA LEU A 853 2.489 1.387 5.413 1.00 1.58 H new ATOM 0 HB2 LEU A 853 0.435 3.604 5.136 1.00 1.88 H new ATOM 0 HB3 LEU A 853 2.122 3.818 4.714 1.00 1.88 H new ATOM 0 HG LEU A 853 1.100 1.436 3.431 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -0.534 2.511 1.934 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -1.089 2.511 3.625 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -0.436 4.000 2.903 1.00 1.95 H new ATOM 0 HD21 LEU A 853 1.875 2.616 1.411 1.00 2.38 H new ATOM 0 HD22 LEU A 853 2.064 4.109 2.360 1.00 2.38 H new ATOM 0 HD23 LEU A 853 3.078 2.691 2.720 1.00 2.38 H new ATOM 1252 N TYR A 854 2.040 2.135 8.239 1.00 1.85 N ATOM 1253 CA TYR A 854 2.533 2.694 9.493 1.00 2.27 C ATOM 1254 C TYR A 854 3.550 1.760 10.145 1.00 2.81 C ATOM 1255 O TYR A 854 3.632 0.588 9.721 1.00 3.39 O ATOM 1256 CB TYR A 854 1.363 2.970 10.448 1.00 2.12 C ATOM 1257 CG TYR A 854 1.111 1.875 11.467 1.00 1.65 C ATOM 1258 CD1 TYR A 854 0.708 0.605 11.071 1.00 1.32 C ATOM 1259 CD2 TYR A 854 1.270 2.117 12.825 1.00 1.81 C ATOM 1260 CE1 TYR A 854 0.475 -0.392 11.998 1.00 1.08 C ATOM 1261 CE2 TYR A 854 1.036 1.126 13.759 1.00 1.84 C ATOM 1262 CZ TYR A 854 0.640 -0.127 13.341 1.00 1.48 C ATOM 1263 OH TYR A 854 0.405 -1.116 14.269 1.00 1.82 O ATOM 1264 OXT TYR A 854 4.258 2.210 11.070 1.00 3.18 O ATOM 0 H TYR A 854 1.499 1.277 8.343 1.00 1.85 H new ATOM 0 HA TYR A 854 3.035 3.636 9.274 1.00 2.27 H new ATOM 0 HB2 TYR A 854 1.555 3.904 10.977 1.00 2.12 H new ATOM 0 HB3 TYR A 854 0.457 3.117 9.860 1.00 2.12 H new ATOM 0 HD1 TYR A 854 0.575 0.394 10.020 1.00 1.32 H new ATOM 0 HD2 TYR A 854 1.582 3.096 13.157 1.00 1.81 H new ATOM 0 HE1 TYR A 854 0.165 -1.374 11.673 1.00 1.08 H new ATOM 0 HE2 TYR A 854 1.163 1.332 14.812 1.00 1.84 H new ATOM 0 HH TYR A 854 0.568 -0.765 15.169 1.00 1.82 H new TER 1274 TYR A 854