USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=16 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 817 LYS NZ :NH3+ -169:sc= 0.0503 (180deg=0) USER MOD Set 1.2: A 854 TYR OH : rot 180:sc= 0.0512 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= 0.0303 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -7.15! C(o=-7.2!,f=-8.9!) USER MOD Single : A 796 MET CE :methyl -155:sc=-0.00192 (180deg=-0.342) USER MOD Single : A 799 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.9!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 804 ASN : amide:sc= -0.922 K(o=-0.92,f=-2.9!) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 807 ASN : amide:sc= -0.467 K(o=-0.47,f=-4!) USER MOD Single : A 808 ASN :FLIP amide:sc= -0.342 F(o=-2.4,f=-0.34) USER MOD Single : A 809 ASN : amide:sc= 0 X(o=0,f=0) 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 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 819 GLN : amide:sc= -0.315 K(o=-0.31,f=-3!) USER MOD Single : A 830 SER OG : rot -34:sc= 0.277 USER MOD Single : A 835 ASN :FLIP amide:sc= -0.231 F(o=-0.81,f=-0.23) USER MOD Single : A 838 LYS NZ :NH3+ -173:sc= 0.775 (180deg=0.745) USER MOD Single : A 840 MET CE :methyl 148:sc= -0.269 (180deg=-1.52!) USER MOD Single : A 844 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 850 ASN : amide:sc= -1.76 X(o=-1.8,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -6.186 8.373 12.413 1.00 9.10 N ATOM 2 CA GLY A 775 -5.325 7.687 13.416 1.00 8.80 C ATOM 3 C GLY A 775 -5.112 6.223 13.092 1.00 8.11 C ATOM 4 O GLY A 775 -4.022 5.686 13.294 1.00 8.12 O ATOM 0 HA2 GLY A 775 -4.359 8.189 13.465 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -5.781 7.775 14.402 1.00 8.80 H new ATOM 10 N ALA A 776 -6.156 5.573 12.587 1.00 7.81 N ATOM 11 CA ALA A 776 -6.081 4.160 12.233 1.00 7.43 C ATOM 12 C ALA A 776 -7.234 3.761 11.319 1.00 6.66 C ATOM 13 O ALA A 776 -7.224 2.684 10.724 1.00 6.79 O ATOM 14 CB ALA A 776 -6.082 3.302 13.488 1.00 8.12 C ATOM 0 H ALA A 776 -7.065 6.003 12.414 1.00 7.81 H new ATOM 0 HA ALA A 776 -5.149 3.996 11.693 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -6.026 2.250 13.209 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -5.222 3.560 14.106 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -6.999 3.480 14.050 1.00 8.12 H new ATOM 20 N MET A 777 -8.228 4.638 11.215 1.00 6.18 N ATOM 21 CA MET A 777 -9.392 4.380 10.375 1.00 5.71 C ATOM 22 C MET A 777 -9.330 5.198 9.089 1.00 5.06 C ATOM 23 O MET A 777 -10.359 5.489 8.479 1.00 5.55 O ATOM 24 CB MET A 777 -10.677 4.705 11.139 1.00 6.17 C ATOM 25 CG MET A 777 -10.719 6.124 11.681 1.00 6.70 C ATOM 26 SD MET A 777 -12.057 6.377 12.862 1.00 7.49 S ATOM 27 CE MET A 777 -11.309 7.570 13.969 1.00 8.34 C ATOM 0 H MET A 777 -8.250 5.534 11.702 1.00 6.18 H new ATOM 0 HA MET A 777 -9.391 3.323 10.110 1.00 5.71 H new ATOM 0 HB2 MET A 777 -11.531 4.551 10.479 1.00 6.17 H new ATOM 0 HB3 MET A 777 -10.784 4.005 11.968 1.00 6.17 H new ATOM 0 HG2 MET A 777 -9.768 6.354 12.161 1.00 6.70 H new ATOM 0 HG3 MET A 777 -10.835 6.822 10.852 1.00 6.70 H new ATOM 0 HE1 MET A 777 -12.016 7.828 14.758 1.00 8.34 H new ATOM 0 HE2 MET A 777 -10.411 7.141 14.413 1.00 8.34 H new ATOM 0 HE3 MET A 777 -11.044 8.468 13.411 1.00 8.34 H new ATOM 37 N GLY A 778 -8.119 5.568 8.684 1.00 4.25 N ATOM 38 CA GLY A 778 -7.951 6.350 7.473 1.00 3.79 C ATOM 39 C GLY A 778 -6.613 6.109 6.802 1.00 2.65 C ATOM 40 O GLY A 778 -5.687 5.580 7.418 1.00 2.91 O ATOM 0 H GLY A 778 -7.253 5.341 9.172 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -8.752 6.107 6.775 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -8.047 7.409 7.713 1.00 3.79 H new ATOM 44 N SER A 779 -6.514 6.503 5.533 1.00 1.98 N ATOM 45 CA SER A 779 -5.285 6.334 4.765 1.00 1.35 C ATOM 46 C SER A 779 -4.878 4.866 4.693 1.00 1.02 C ATOM 47 O SER A 779 -4.101 4.384 5.517 1.00 1.06 O ATOM 48 CB SER A 779 -4.154 7.163 5.378 1.00 2.12 C ATOM 49 OG SER A 779 -3.844 8.283 4.569 1.00 2.61 O ATOM 0 H SER A 779 -7.275 6.943 5.015 1.00 1.98 H new ATOM 0 HA SER A 779 -5.474 6.686 3.751 1.00 1.35 H new ATOM 0 HB2 SER A 779 -4.444 7.499 6.373 1.00 2.12 H new ATOM 0 HB3 SER A 779 -3.267 6.541 5.498 1.00 2.12 H new ATOM 0 HG SER A 779 -3.120 8.796 4.984 1.00 2.61 H new ATOM 55 N ILE A 780 -5.410 4.161 3.699 1.00 0.79 N ATOM 56 CA ILE A 780 -5.105 2.747 3.513 1.00 0.51 C ATOM 57 C ILE A 780 -4.622 2.482 2.090 1.00 0.46 C ATOM 58 O ILE A 780 -4.303 3.416 1.352 1.00 0.53 O ATOM 59 CB ILE A 780 -6.332 1.857 3.808 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.359 2.618 4.651 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.903 0.581 4.516 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.729 1.974 4.666 1.00 1.22 C ATOM 0 H ILE A 780 -6.055 4.547 3.009 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.314 2.494 4.219 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.798 1.588 2.860 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -6.992 2.694 5.674 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.449 3.635 4.268 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.779 -0.036 4.717 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.208 0.029 3.882 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.414 0.834 5.457 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.404 2.568 5.283 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.118 1.922 3.649 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.653 0.967 5.077 1.00 1.22 H new ATOM 74 N PHE A 781 -4.570 1.209 1.707 1.00 0.39 N ATOM 75 CA PHE A 781 -4.129 0.830 0.375 1.00 0.36 C ATOM 76 C PHE A 781 -4.657 -0.553 0.022 1.00 0.30 C ATOM 77 O PHE A 781 -4.040 -1.567 0.343 1.00 0.35 O ATOM 78 CB PHE A 781 -2.601 0.850 0.293 1.00 0.41 C ATOM 79 CG PHE A 781 -2.067 1.492 -0.957 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.470 2.767 -1.327 1.00 0.73 C ATOM 81 CD2 PHE A 781 -1.160 0.820 -1.762 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.977 3.357 -2.475 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.664 1.406 -2.910 1.00 0.94 C ATOM 84 CZ PHE A 781 -1.073 2.676 -3.268 1.00 0.73 C ATOM 0 H PHE A 781 -4.829 0.424 2.304 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.524 1.551 -0.341 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.207 1.381 1.159 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.230 -0.173 0.351 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.176 3.304 -0.711 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.837 -0.174 -1.488 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.298 4.350 -2.753 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.043 0.872 -3.527 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.687 3.136 -4.166 1.00 0.73 H new ATOM 94 N THR A 782 -5.809 -0.586 -0.633 1.00 0.28 N ATOM 95 CA THR A 782 -6.430 -1.845 -1.022 1.00 0.29 C ATOM 96 C THR A 782 -6.117 -2.182 -2.474 1.00 0.35 C ATOM 97 O THR A 782 -6.825 -1.762 -3.391 1.00 0.52 O ATOM 98 CB THR A 782 -7.960 -1.797 -0.837 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.364 -0.490 -0.416 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.412 -2.827 0.188 1.00 0.44 C ATOM 0 H THR A 782 -6.333 0.245 -0.907 1.00 0.28 H new ATOM 0 HA THR A 782 -6.017 -2.617 -0.373 1.00 0.29 H new ATOM 0 HB THR A 782 -8.427 -2.029 -1.794 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.337 -0.469 -0.303 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.495 -2.775 0.303 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.130 -3.824 -0.150 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.936 -2.620 1.146 1.00 0.44 H new ATOM 108 N LEU A 783 -5.044 -2.939 -2.672 1.00 0.40 N ATOM 109 CA LEU A 783 -4.616 -3.339 -4.004 1.00 0.56 C ATOM 110 C LEU A 783 -5.204 -4.696 -4.382 1.00 0.58 C ATOM 111 O LEU A 783 -5.273 -5.603 -3.552 1.00 0.99 O ATOM 112 CB LEU A 783 -3.090 -3.399 -4.058 1.00 0.67 C ATOM 113 CG LEU A 783 -2.465 -2.966 -5.381 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.918 -1.550 -5.278 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.367 -3.937 -5.782 1.00 1.53 C ATOM 0 H LEU A 783 -4.451 -3.290 -1.919 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.977 -2.600 -4.719 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.690 -2.769 -3.263 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.776 -4.420 -3.844 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.237 -2.975 -6.151 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.477 -1.260 -6.232 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.728 -0.864 -5.030 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.157 -1.510 -4.499 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.927 -3.619 -6.727 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.597 -3.954 -5.011 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.788 -4.936 -5.896 1.00 1.53 H new ATOM 127 N LEU A 784 -5.623 -4.830 -5.636 1.00 0.27 N ATOM 128 CA LEU A 784 -6.200 -6.081 -6.117 1.00 0.26 C ATOM 129 C LEU A 784 -5.120 -7.146 -6.269 1.00 0.23 C ATOM 130 O LEU A 784 -4.333 -7.119 -7.216 1.00 0.29 O ATOM 131 CB LEU A 784 -6.909 -5.860 -7.457 1.00 0.31 C ATOM 132 CG LEU A 784 -7.866 -6.978 -7.878 1.00 0.51 C ATOM 133 CD1 LEU A 784 -9.036 -6.409 -8.664 1.00 0.81 C ATOM 134 CD2 LEU A 784 -7.133 -8.028 -8.700 1.00 0.75 C ATOM 0 H LEU A 784 -5.574 -4.090 -6.336 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.929 -6.426 -5.384 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.468 -4.925 -7.405 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.154 -5.737 -8.234 1.00 0.31 H new ATOM 0 HG LEU A 784 -8.254 -7.455 -6.978 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -9.706 -7.218 -8.955 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.577 -5.694 -8.044 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.664 -5.906 -9.557 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.830 -8.815 -8.990 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.716 -7.564 -9.594 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -6.327 -8.458 -8.105 1.00 0.75 H new ATOM 146 N VAL A 785 -5.088 -8.082 -5.327 1.00 0.25 N ATOM 147 CA VAL A 785 -4.104 -9.159 -5.349 1.00 0.30 C ATOM 148 C VAL A 785 -4.663 -10.409 -6.021 1.00 0.34 C ATOM 149 O VAL A 785 -5.857 -10.696 -5.928 1.00 0.55 O ATOM 150 CB VAL A 785 -3.642 -9.522 -3.925 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.625 -10.654 -3.962 1.00 1.11 C ATOM 152 CG2 VAL A 785 -3.066 -8.303 -3.220 1.00 1.18 C ATOM 0 H VAL A 785 -5.733 -8.117 -4.537 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.252 -8.795 -5.923 1.00 0.30 H new ATOM 0 HB VAL A 785 -4.510 -9.863 -3.361 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.312 -10.895 -2.946 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -3.076 -11.534 -4.421 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -1.758 -10.345 -4.546 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -2.746 -8.581 -2.216 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.211 -7.927 -3.783 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -3.828 -7.526 -3.156 1.00 1.18 H new ATOM 162 N GLU A 786 -3.788 -11.151 -6.691 1.00 0.38 N ATOM 163 CA GLU A 786 -4.183 -12.375 -7.374 1.00 0.42 C ATOM 164 C GLU A 786 -3.915 -13.592 -6.491 1.00 0.46 C ATOM 165 O GLU A 786 -3.281 -13.481 -5.443 1.00 0.48 O ATOM 166 CB GLU A 786 -3.430 -12.511 -8.698 1.00 0.43 C ATOM 167 CG GLU A 786 -4.233 -13.203 -9.787 1.00 0.56 C ATOM 168 CD GLU A 786 -3.894 -12.692 -11.174 1.00 0.75 C ATOM 169 OE1 GLU A 786 -2.776 -12.974 -11.655 1.00 1.02 O ATOM 170 OE2 GLU A 786 -4.746 -12.010 -11.780 1.00 1.40 O ATOM 0 H GLU A 786 -2.797 -10.924 -6.775 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.252 -12.323 -7.580 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.142 -11.519 -9.046 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.509 -13.069 -8.527 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -4.048 -14.276 -9.744 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.296 -13.055 -9.599 1.00 0.56 H new ATOM 177 N LYS A 787 -4.404 -14.752 -6.920 1.00 0.51 N ATOM 178 CA LYS A 787 -4.216 -15.988 -6.167 1.00 0.57 C ATOM 179 C LYS A 787 -2.903 -16.662 -6.553 1.00 0.60 C ATOM 180 O LYS A 787 -2.883 -17.835 -6.934 1.00 1.07 O ATOM 181 CB LYS A 787 -5.387 -16.942 -6.411 1.00 0.64 C ATOM 182 CG LYS A 787 -6.726 -16.398 -5.943 1.00 1.29 C ATOM 183 CD LYS A 787 -7.689 -16.215 -7.104 1.00 1.49 C ATOM 184 CE LYS A 787 -9.096 -16.662 -6.739 1.00 2.24 C ATOM 185 NZ LYS A 787 -9.916 -16.957 -7.945 1.00 2.85 N ATOM 0 H LYS A 787 -4.933 -14.862 -7.785 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.178 -15.738 -5.107 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.447 -17.164 -7.476 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.189 -17.884 -5.900 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -7.161 -17.079 -5.212 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -6.576 -15.443 -5.439 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.705 -15.167 -7.402 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -7.337 -16.785 -7.963 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -9.043 -17.551 -6.110 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -9.583 -15.884 -6.151 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -10.868 -17.258 -7.653 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -9.989 -16.102 -8.533 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -9.466 -17.717 -8.494 1.00 2.85 H new ATOM 199 N VAL A 788 -1.811 -15.912 -6.458 1.00 0.29 N ATOM 200 CA VAL A 788 -0.492 -16.432 -6.806 1.00 0.29 C ATOM 201 C VAL A 788 0.613 -15.502 -6.308 1.00 0.26 C ATOM 202 O VAL A 788 1.752 -15.927 -6.103 1.00 0.29 O ATOM 203 CB VAL A 788 -0.359 -16.615 -8.334 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.822 -15.362 -9.063 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.070 -16.962 -8.722 1.00 0.33 C ATOM 0 H VAL A 788 -1.812 -14.942 -6.143 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.384 -17.401 -6.319 1.00 0.29 H new ATOM 0 HB VAL A 788 -0.999 -17.446 -8.631 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.721 -15.509 -10.138 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.866 -15.164 -8.820 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.211 -14.514 -8.754 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.134 -17.085 -9.803 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.737 -16.159 -8.408 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.364 -17.891 -8.233 1.00 0.33 H new ATOM 215 N TRP A 789 0.269 -14.233 -6.124 1.00 0.21 N ATOM 216 CA TRP A 789 1.226 -13.233 -5.662 1.00 0.18 C ATOM 217 C TRP A 789 1.923 -13.660 -4.376 1.00 0.18 C ATOM 218 O TRP A 789 1.277 -13.894 -3.355 1.00 0.19 O ATOM 219 CB TRP A 789 0.525 -11.897 -5.429 1.00 0.18 C ATOM 220 CG TRP A 789 0.173 -11.189 -6.697 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.195 -11.709 -7.959 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.250 -9.830 -6.830 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.188 -10.757 -8.866 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.468 -9.593 -8.199 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.465 -8.791 -5.920 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.892 -8.357 -8.680 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.886 -7.565 -6.398 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.097 -7.356 -7.767 1.00 0.30 C ATOM 0 H TRP A 789 -0.670 -13.870 -6.288 1.00 0.21 H new ATOM 0 HA TRP A 789 1.980 -13.129 -6.442 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.383 -12.066 -4.851 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.170 -11.255 -4.829 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.474 -12.723 -8.206 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.254 -10.892 -9.875 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.305 -8.944 -4.863 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.054 -8.193 -9.735 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -1.055 -6.754 -5.705 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.428 -6.387 -8.110 1.00 0.30 H new ATOM 239 N ASN A 790 3.249 -13.724 -4.428 1.00 0.18 N ATOM 240 CA ASN A 790 4.042 -14.082 -3.263 1.00 0.20 C ATOM 241 C ASN A 790 4.501 -12.802 -2.575 1.00 0.18 C ATOM 242 O ASN A 790 4.520 -11.747 -3.201 1.00 0.20 O ATOM 243 CB ASN A 790 5.231 -14.957 -3.675 1.00 0.24 C ATOM 244 CG ASN A 790 6.527 -14.184 -3.806 1.00 0.93 C ATOM 245 OD1 ASN A 790 7.350 -14.168 -2.890 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.721 -13.552 -4.958 1.00 0.77 N ATOM 0 H ASN A 790 3.796 -13.532 -5.267 1.00 0.18 H new ATOM 0 HA ASN A 790 3.441 -14.664 -2.564 1.00 0.20 H new ATOM 0 HB2 ASN A 790 5.362 -15.750 -2.939 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.006 -15.439 -4.626 1.00 0.24 H new ATOM 0 HD21 ASN A 790 7.581 -13.025 -5.112 1.00 0.77 H new ATOM 0 HD22 ASN A 790 6.010 -13.594 -5.689 1.00 0.77 H new ATOM 253 N PHE A 791 4.841 -12.884 -1.291 1.00 0.20 N ATOM 254 CA PHE A 791 5.268 -11.704 -0.535 1.00 0.20 C ATOM 255 C PHE A 791 6.213 -10.834 -1.353 1.00 0.16 C ATOM 256 O PHE A 791 6.191 -9.608 -1.246 1.00 0.17 O ATOM 257 CB PHE A 791 5.933 -12.119 0.779 1.00 0.26 C ATOM 258 CG PHE A 791 6.460 -10.961 1.580 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.600 -10.154 2.306 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.817 -10.681 1.605 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.082 -9.089 3.042 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.306 -9.617 2.341 1.00 0.59 C ATOM 263 CZ PHE A 791 7.435 -8.819 3.060 1.00 0.63 C ATOM 0 H PHE A 791 4.830 -13.750 -0.752 1.00 0.20 H new ATOM 0 HA PHE A 791 4.379 -11.116 -0.309 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.212 -12.669 1.383 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.754 -12.802 0.561 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.540 -10.360 2.297 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.500 -11.301 1.043 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.400 -8.468 3.603 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.366 -9.410 2.354 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.813 -7.986 3.634 1.00 0.63 H new ATOM 273 N ASP A 792 7.023 -11.471 -2.185 1.00 0.17 N ATOM 274 CA ASP A 792 7.950 -10.744 -3.033 1.00 0.17 C ATOM 275 C ASP A 792 7.180 -9.974 -4.097 1.00 0.16 C ATOM 276 O ASP A 792 7.323 -8.760 -4.213 1.00 0.19 O ATOM 277 CB ASP A 792 8.946 -11.700 -3.691 1.00 0.22 C ATOM 278 CG ASP A 792 9.984 -12.215 -2.713 1.00 1.17 C ATOM 279 OD1 ASP A 792 9.615 -12.527 -1.562 1.00 1.47 O ATOM 280 OD2 ASP A 792 11.168 -12.312 -3.101 1.00 2.05 O ATOM 0 H ASP A 792 7.056 -12.485 -2.290 1.00 0.17 H new ATOM 0 HA ASP A 792 8.509 -10.041 -2.415 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.406 -12.543 -4.121 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.447 -11.189 -4.513 1.00 0.22 H new ATOM 285 N ASP A 793 6.347 -10.686 -4.858 1.00 0.17 N ATOM 286 CA ASP A 793 5.542 -10.060 -5.902 1.00 0.18 C ATOM 287 C ASP A 793 4.627 -8.996 -5.305 1.00 0.17 C ATOM 288 O ASP A 793 4.290 -8.011 -5.960 1.00 0.24 O ATOM 289 CB ASP A 793 4.709 -11.113 -6.636 1.00 0.19 C ATOM 290 CG ASP A 793 5.427 -11.676 -7.846 1.00 0.56 C ATOM 291 OD1 ASP A 793 6.295 -12.557 -7.666 1.00 1.04 O ATOM 292 OD2 ASP A 793 5.121 -11.238 -8.975 1.00 1.07 O ATOM 0 H ASP A 793 6.214 -11.693 -4.770 1.00 0.17 H new ATOM 0 HA ASP A 793 6.215 -9.584 -6.614 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.468 -11.925 -5.950 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.764 -10.670 -6.951 1.00 0.19 H new ATOM 297 N LEU A 794 4.235 -9.204 -4.051 1.00 0.14 N ATOM 298 CA LEU A 794 3.370 -8.263 -3.354 1.00 0.15 C ATOM 299 C LEU A 794 4.096 -6.946 -3.134 1.00 0.15 C ATOM 300 O LEU A 794 3.597 -5.878 -3.490 1.00 0.17 O ATOM 301 CB LEU A 794 2.932 -8.835 -2.002 1.00 0.19 C ATOM 302 CG LEU A 794 1.852 -8.023 -1.286 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.579 -7.969 -2.117 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.575 -8.606 0.091 1.00 0.70 C ATOM 0 H LEU A 794 4.504 -10.018 -3.498 1.00 0.14 H new ATOM 0 HA LEU A 794 2.487 -8.091 -3.970 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.564 -9.850 -2.154 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.805 -8.906 -1.353 1.00 0.19 H new ATOM 0 HG LEU A 794 2.215 -7.003 -1.159 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.176 -7.387 -1.589 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.792 -7.501 -3.078 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.208 -8.981 -2.280 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.804 -8.017 0.587 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.234 -9.636 -0.012 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.488 -8.584 0.686 1.00 0.70 H new ATOM 316 N ILE A 795 5.280 -7.039 -2.542 1.00 0.19 N ATOM 317 CA ILE A 795 6.094 -5.865 -2.264 1.00 0.22 C ATOM 318 C ILE A 795 6.392 -5.077 -3.535 1.00 0.21 C ATOM 319 O ILE A 795 6.511 -3.858 -3.492 1.00 0.23 O ATOM 320 CB ILE A 795 7.409 -6.261 -1.568 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.134 -6.712 -0.128 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.411 -5.112 -1.587 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.438 -5.666 0.719 1.00 0.32 C ATOM 0 H ILE A 795 5.699 -7.920 -2.244 1.00 0.19 H new ATOM 0 HA ILE A 795 5.520 -5.225 -1.594 1.00 0.22 H new ATOM 0 HB ILE A 795 7.846 -7.094 -2.119 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.522 -7.614 -0.150 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.079 -6.980 0.346 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.329 -5.422 -1.088 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.633 -4.839 -2.619 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.988 -4.252 -1.067 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.278 -6.059 1.723 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.058 -4.771 0.774 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.477 -5.415 0.270 1.00 0.32 H new ATOM 335 N MET A 796 6.501 -5.769 -4.666 1.00 0.23 N ATOM 336 CA MET A 796 6.775 -5.097 -5.937 1.00 0.26 C ATOM 337 C MET A 796 5.584 -4.248 -6.360 1.00 0.23 C ATOM 338 O MET A 796 5.729 -3.052 -6.616 1.00 0.22 O ATOM 339 CB MET A 796 7.102 -6.113 -7.034 1.00 0.36 C ATOM 340 CG MET A 796 7.922 -7.292 -6.552 1.00 0.46 C ATOM 341 SD MET A 796 8.651 -8.237 -7.903 1.00 0.67 S ATOM 342 CE MET A 796 9.190 -9.709 -7.038 1.00 1.53 C ATOM 0 H MET A 796 6.406 -6.782 -4.731 1.00 0.23 H new ATOM 0 HA MET A 796 7.640 -4.450 -5.793 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.171 -6.482 -7.464 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.644 -5.608 -7.834 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.716 -6.933 -5.897 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.289 -7.949 -5.956 1.00 0.46 H new ATOM 0 HE1 MET A 796 10.013 -10.170 -7.583 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.524 -9.440 -6.036 1.00 1.53 H new ATOM 0 HE3 MET A 796 8.361 -10.414 -6.968 1.00 1.53 H new ATOM 352 N ALA A 797 4.407 -4.868 -6.422 1.00 0.26 N ATOM 353 CA ALA A 797 3.193 -4.157 -6.805 1.00 0.30 C ATOM 354 C ALA A 797 3.027 -2.909 -5.951 1.00 0.28 C ATOM 355 O ALA A 797 2.894 -1.799 -6.468 1.00 0.30 O ATOM 356 CB ALA A 797 1.980 -5.064 -6.664 1.00 0.38 C ATOM 0 H ALA A 797 4.270 -5.857 -6.213 1.00 0.26 H new ATOM 0 HA ALA A 797 3.277 -3.857 -7.849 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.082 -4.518 -6.954 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.100 -5.934 -7.309 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.888 -5.390 -5.628 1.00 0.38 H new ATOM 362 N ILE A 798 3.062 -3.102 -4.637 1.00 0.27 N ATOM 363 CA ILE A 798 2.940 -2.001 -3.700 1.00 0.31 C ATOM 364 C ILE A 798 4.014 -0.957 -3.962 1.00 0.29 C ATOM 365 O ILE A 798 3.719 0.227 -4.126 1.00 0.33 O ATOM 366 CB ILE A 798 3.075 -2.491 -2.249 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.906 -3.409 -1.891 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.155 -1.307 -1.297 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.045 -4.069 -0.536 1.00 0.50 C ATOM 0 H ILE A 798 3.175 -4.016 -4.199 1.00 0.27 H new ATOM 0 HA ILE A 798 1.953 -1.561 -3.841 1.00 0.31 H new ATOM 0 HB ILE A 798 3.997 -3.064 -2.152 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.982 -2.831 -1.911 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.815 -4.182 -2.654 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.250 -1.669 -0.273 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.022 -0.696 -1.548 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.250 -0.706 -1.387 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.179 -4.705 -0.351 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.951 -4.675 -0.518 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.105 -3.303 0.237 1.00 0.50 H new ATOM 381 N ASN A 799 5.261 -1.411 -3.994 1.00 0.25 N ATOM 382 CA ASN A 799 6.396 -0.530 -4.227 1.00 0.29 C ATOM 383 C ASN A 799 6.210 0.287 -5.500 1.00 0.27 C ATOM 384 O ASN A 799 6.742 1.390 -5.618 1.00 0.36 O ATOM 385 CB ASN A 799 7.689 -1.335 -4.318 1.00 0.30 C ATOM 386 CG ASN A 799 8.833 -0.681 -3.570 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.567 0.137 -4.125 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.992 -1.036 -2.300 1.00 0.78 N ATOM 0 H ASN A 799 5.511 -2.391 -3.860 1.00 0.25 H new ATOM 0 HA ASN A 799 6.459 0.156 -3.382 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.520 -2.334 -3.916 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.966 -1.455 -5.365 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.745 -0.627 -1.746 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.361 -1.718 -1.878 1.00 0.78 H new ATOM 395 N SER A 800 5.461 -0.260 -6.450 1.00 0.22 N ATOM 396 CA SER A 800 5.213 0.422 -7.715 1.00 0.25 C ATOM 397 C SER A 800 4.207 1.555 -7.539 1.00 0.28 C ATOM 398 O SER A 800 4.262 2.560 -8.247 1.00 0.33 O ATOM 399 CB SER A 800 4.701 -0.571 -8.761 1.00 0.28 C ATOM 400 OG SER A 800 5.747 -0.988 -9.623 1.00 0.98 O ATOM 0 H SER A 800 5.015 -1.174 -6.369 1.00 0.22 H new ATOM 0 HA SER A 800 6.155 0.849 -8.057 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.269 -1.439 -8.263 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.905 -0.110 -9.346 1.00 0.28 H new ATOM 0 HG SER A 800 5.395 -1.623 -10.281 1.00 0.98 H new ATOM 406 N LYS A 801 3.287 1.385 -6.595 1.00 0.30 N ATOM 407 CA LYS A 801 2.266 2.393 -6.335 1.00 0.37 C ATOM 408 C LYS A 801 2.642 3.278 -5.148 1.00 0.40 C ATOM 409 O LYS A 801 1.887 4.178 -4.774 1.00 0.49 O ATOM 410 CB LYS A 801 0.916 1.723 -6.076 1.00 0.42 C ATOM 411 CG LYS A 801 0.203 1.283 -7.343 1.00 0.67 C ATOM 412 CD LYS A 801 -0.967 2.196 -7.670 1.00 1.05 C ATOM 413 CE LYS A 801 -1.206 2.281 -9.170 1.00 1.43 C ATOM 414 NZ LYS A 801 -1.023 3.668 -9.684 1.00 2.25 N ATOM 0 H LYS A 801 3.228 0.560 -5.998 1.00 0.30 H new ATOM 0 HA LYS A 801 2.193 3.026 -7.219 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.068 0.855 -5.434 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.275 2.415 -5.530 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.907 1.280 -8.175 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.155 0.260 -7.224 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.867 1.827 -7.178 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.773 3.193 -7.274 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -0.520 1.609 -9.686 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.216 1.940 -9.397 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -1.195 3.684 -10.710 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.695 4.305 -9.211 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -0.051 3.984 -9.491 1.00 2.25 H new ATOM 428 N ILE A 802 3.805 3.023 -4.557 1.00 0.39 N ATOM 429 CA ILE A 802 4.260 3.807 -3.412 1.00 0.45 C ATOM 430 C ILE A 802 5.615 4.458 -3.679 1.00 0.50 C ATOM 431 O ILE A 802 6.032 5.361 -2.953 1.00 0.60 O ATOM 432 CB ILE A 802 4.363 2.940 -2.143 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.448 1.880 -2.306 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.022 2.292 -1.829 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.202 1.585 -1.029 1.00 0.75 C ATOM 0 H ILE A 802 4.446 2.285 -4.849 1.00 0.39 H new ATOM 0 HA ILE A 802 3.515 4.587 -3.255 1.00 0.45 H new ATOM 0 HB ILE A 802 4.636 3.584 -1.307 1.00 0.47 H new ATOM 0 HG12 ILE A 802 4.993 0.959 -2.670 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.155 2.209 -3.068 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.114 1.683 -0.929 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.272 3.067 -1.668 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.718 1.661 -2.664 1.00 0.49 H new ATOM 0 HD11 ILE A 802 6.957 0.823 -1.220 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.686 2.495 -0.674 1.00 0.75 H new ATOM 0 HD13 ILE A 802 5.507 1.225 -0.271 1.00 0.75 H new ATOM 447 N SER A 803 6.299 3.998 -4.722 1.00 0.45 N ATOM 448 CA SER A 803 7.607 4.542 -5.073 1.00 0.53 C ATOM 449 C SER A 803 7.779 4.632 -6.586 1.00 0.61 C ATOM 450 O SER A 803 8.301 5.620 -7.103 1.00 1.19 O ATOM 451 CB SER A 803 8.722 3.679 -4.474 1.00 0.60 C ATOM 452 OG SER A 803 9.909 4.431 -4.294 1.00 1.53 O ATOM 0 H SER A 803 5.971 3.253 -5.337 1.00 0.45 H new ATOM 0 HA SER A 803 7.671 5.548 -4.659 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.397 3.273 -3.516 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.921 2.831 -5.129 1.00 0.60 H new ATOM 0 HG SER A 803 10.604 3.858 -3.909 1.00 1.53 H new ATOM 458 N ASN A 804 7.336 3.592 -7.290 1.00 0.84 N ATOM 459 CA ASN A 804 7.441 3.545 -8.745 1.00 0.93 C ATOM 460 C ASN A 804 8.892 3.693 -9.194 1.00 1.53 C ATOM 461 O ASN A 804 9.809 3.717 -8.373 1.00 2.42 O ATOM 462 CB ASN A 804 6.582 4.643 -9.377 1.00 1.40 C ATOM 463 CG ASN A 804 6.030 4.239 -10.731 1.00 2.04 C ATOM 464 OD1 ASN A 804 5.937 3.053 -11.048 1.00 2.43 O ATOM 465 ND2 ASN A 804 5.661 5.228 -11.538 1.00 2.83 N ATOM 0 H ASN A 804 6.900 2.769 -6.874 1.00 0.84 H new ATOM 0 HA ASN A 804 7.076 2.573 -9.078 1.00 0.93 H new ATOM 0 HB2 ASN A 804 5.756 4.884 -8.708 1.00 1.40 H new ATOM 0 HB3 ASN A 804 7.178 5.549 -9.486 1.00 1.40 H new ATOM 0 HD21 ASN A 804 5.283 5.018 -12.462 1.00 2.83 H new ATOM 0 HD22 ASN A 804 5.756 6.197 -11.234 1.00 2.83 H new ATOM 472 N THR A 805 9.093 3.793 -10.504 1.00 1.86 N ATOM 473 CA THR A 805 10.432 3.941 -11.064 1.00 2.72 C ATOM 474 C THR A 805 10.545 5.228 -11.873 1.00 3.19 C ATOM 475 O THR A 805 11.638 5.630 -12.271 1.00 3.83 O ATOM 476 CB THR A 805 10.803 2.747 -11.963 1.00 3.49 C ATOM 477 OG1 THR A 805 10.243 1.540 -11.433 1.00 3.73 O ATOM 478 CG2 THR A 805 12.313 2.603 -12.074 1.00 4.20 C ATOM 0 H THR A 805 8.346 3.774 -11.198 1.00 1.86 H new ATOM 0 HA THR A 805 11.125 3.978 -10.224 1.00 2.72 H new ATOM 0 HB THR A 805 10.396 2.930 -12.957 1.00 3.49 H new ATOM 0 HG1 THR A 805 10.483 0.786 -12.012 1.00 3.73 H new ATOM 0 HG21 THR A 805 12.551 1.753 -12.714 1.00 4.20 H new ATOM 0 HG22 THR A 805 12.734 3.511 -12.505 1.00 4.20 H new ATOM 0 HG23 THR A 805 12.737 2.441 -11.083 1.00 4.20 H new ATOM 486 N HIS A 806 9.406 5.869 -12.113 1.00 3.41 N ATOM 487 CA HIS A 806 9.371 7.112 -12.873 1.00 4.17 C ATOM 488 C HIS A 806 8.596 8.189 -12.121 1.00 4.02 C ATOM 489 O HIS A 806 7.677 7.885 -11.362 1.00 4.30 O ATOM 490 CB HIS A 806 8.737 6.874 -14.245 1.00 5.13 C ATOM 491 CG HIS A 806 9.672 6.251 -15.236 1.00 6.08 C ATOM 492 ND1 HIS A 806 9.567 4.938 -15.648 1.00 6.75 N ATOM 493 CD2 HIS A 806 10.734 6.768 -15.899 1.00 6.77 C ATOM 494 CE1 HIS A 806 10.523 4.675 -16.521 1.00 7.67 C ATOM 495 NE2 HIS A 806 11.243 5.768 -16.690 1.00 7.69 N ATOM 0 H HIS A 806 8.493 5.547 -11.791 1.00 3.41 H new ATOM 0 HA HIS A 806 10.396 7.457 -13.007 1.00 4.17 H new ATOM 0 HB2 HIS A 806 7.865 6.231 -14.127 1.00 5.13 H new ATOM 0 HB3 HIS A 806 8.381 7.825 -14.642 1.00 5.13 H new ATOM 0 HD2 HIS A 806 11.110 7.777 -15.820 1.00 6.77 H new ATOM 0 HE1 HIS A 806 10.687 3.727 -17.012 1.00 7.67 H new ATOM 0 HE2 HIS A 806 12.049 5.856 -17.309 1.00 7.69 H new ATOM 504 N ASN A 807 8.982 9.445 -12.339 1.00 4.10 N ATOM 505 CA ASN A 807 8.334 10.581 -11.686 1.00 4.41 C ATOM 506 C ASN A 807 8.530 10.534 -10.172 1.00 4.33 C ATOM 507 O ASN A 807 9.418 11.198 -9.634 1.00 4.37 O ATOM 508 CB ASN A 807 6.839 10.617 -12.022 1.00 4.84 C ATOM 509 CG ASN A 807 6.577 10.506 -13.512 1.00 5.63 C ATOM 510 OD1 ASN A 807 6.722 9.435 -14.103 1.00 6.02 O ATOM 511 ND2 ASN A 807 6.188 11.616 -14.128 1.00 6.22 N ATOM 0 H ASN A 807 9.744 9.702 -12.966 1.00 4.10 H new ATOM 0 HA ASN A 807 8.802 11.490 -12.063 1.00 4.41 H new ATOM 0 HB2 ASN A 807 6.334 9.801 -11.506 1.00 4.84 H new ATOM 0 HB3 ASN A 807 6.408 11.546 -11.649 1.00 4.84 H new ATOM 0 HD21 ASN A 807 5.996 11.603 -15.130 1.00 6.22 H new ATOM 0 HD22 ASN A 807 6.081 12.482 -13.599 1.00 6.22 H new ATOM 518 N ASN A 808 7.696 9.755 -9.490 1.00 4.61 N ATOM 519 CA ASN A 808 7.777 9.629 -8.039 1.00 4.89 C ATOM 520 C ASN A 808 9.007 8.831 -7.621 1.00 4.54 C ATOM 521 O ASN A 808 9.422 7.899 -8.311 1.00 4.85 O ATOM 522 CB ASN A 808 6.515 8.961 -7.494 1.00 5.45 C ATOM 523 CG ASN A 808 6.162 9.440 -6.100 1.00 6.15 C ATOM 524 OD1 ASN A 808 6.985 9.079 -5.122 1.00 6.37 O flip ATOM 525 ND2 ASN A 808 5.159 10.127 -5.903 1.00 6.83 N flip ATOM 0 H ASN A 808 6.955 9.201 -9.920 1.00 4.61 H new ATOM 0 HA ASN A 808 7.862 10.632 -7.621 1.00 4.89 H new ATOM 0 HB2 ASN A 808 5.681 9.163 -8.166 1.00 5.45 H new ATOM 0 HB3 ASN A 808 6.657 7.880 -7.478 1.00 5.45 H new ATOM 0 HD21 ASN A 808 4.554 10.382 -6.684 1.00 6.83 H new ATOM 0 HD22 ASN A 808 4.934 10.441 -4.959 1.00 6.83 H new ATOM 532 N ASN A 809 9.582 9.202 -6.479 1.00 4.24 N ATOM 533 CA ASN A 809 10.764 8.527 -5.954 1.00 4.01 C ATOM 534 C ASN A 809 11.110 9.055 -4.563 1.00 3.02 C ATOM 535 O ASN A 809 11.835 10.042 -4.425 1.00 3.13 O ATOM 536 CB ASN A 809 11.955 8.720 -6.895 1.00 4.74 C ATOM 537 CG ASN A 809 12.617 7.406 -7.264 1.00 5.63 C ATOM 538 OD1 ASN A 809 13.073 6.662 -6.396 1.00 5.91 O ATOM 539 ND2 ASN A 809 12.675 7.114 -8.559 1.00 6.41 N ATOM 0 H ASN A 809 9.246 9.970 -5.898 1.00 4.24 H new ATOM 0 HA ASN A 809 10.542 7.462 -5.881 1.00 4.01 H new ATOM 0 HB2 ASN A 809 11.620 9.223 -7.802 1.00 4.74 H new ATOM 0 HB3 ASN A 809 12.688 9.373 -6.421 1.00 4.74 H new ATOM 0 HD21 ASN A 809 13.110 6.244 -8.867 1.00 6.41 H new ATOM 0 HD22 ASN A 809 12.284 7.760 -9.245 1.00 6.41 H new ATOM 546 N ILE A 810 10.582 8.396 -3.535 1.00 2.60 N ATOM 547 CA ILE A 810 10.829 8.803 -2.156 1.00 2.14 C ATOM 548 C ILE A 810 11.681 7.773 -1.418 1.00 1.67 C ATOM 549 O ILE A 810 12.878 7.979 -1.212 1.00 2.29 O ATOM 550 CB ILE A 810 9.509 9.012 -1.385 1.00 3.00 C ATOM 551 CG1 ILE A 810 8.503 9.783 -2.247 1.00 3.79 C ATOM 552 CG2 ILE A 810 9.768 9.743 -0.074 1.00 3.71 C ATOM 553 CD1 ILE A 810 8.924 11.204 -2.563 1.00 4.78 C ATOM 0 H ILE A 810 9.980 7.578 -3.632 1.00 2.60 H new ATOM 0 HA ILE A 810 11.369 9.749 -2.200 1.00 2.14 H new ATOM 0 HB ILE A 810 9.084 8.036 -1.153 1.00 3.00 H new ATOM 0 HG12 ILE A 810 8.352 9.243 -3.182 1.00 3.79 H new ATOM 0 HG13 ILE A 810 7.542 9.805 -1.733 1.00 3.79 H new ATOM 0 HG21 ILE A 810 8.826 9.882 0.457 1.00 3.71 H new ATOM 0 HG22 ILE A 810 10.449 9.155 0.542 1.00 3.71 H new ATOM 0 HG23 ILE A 810 10.215 10.715 -0.282 1.00 3.71 H new ATOM 0 HD11 ILE A 810 8.160 11.682 -3.176 1.00 4.78 H new ATOM 0 HD12 ILE A 810 9.046 11.762 -1.635 1.00 4.78 H new ATOM 0 HD13 ILE A 810 9.869 11.191 -3.106 1.00 4.78 H new ATOM 565 N SER A 811 11.057 6.668 -1.021 1.00 1.31 N ATOM 566 CA SER A 811 11.759 5.609 -0.303 1.00 0.97 C ATOM 567 C SER A 811 10.939 4.319 -0.295 1.00 0.83 C ATOM 568 O SER A 811 9.802 4.304 0.177 1.00 0.94 O ATOM 569 CB SER A 811 12.053 6.050 1.132 1.00 1.31 C ATOM 570 OG SER A 811 11.001 6.847 1.647 1.00 1.80 O ATOM 0 H SER A 811 10.067 6.483 -1.184 1.00 1.31 H new ATOM 0 HA SER A 811 12.700 5.415 -0.818 1.00 0.97 H new ATOM 0 HB2 SER A 811 12.192 5.173 1.764 1.00 1.31 H new ATOM 0 HB3 SER A 811 12.986 6.613 1.159 1.00 1.31 H new ATOM 0 HG SER A 811 11.213 7.114 2.566 1.00 1.80 H new ATOM 576 N PRO A 812 11.504 3.214 -0.818 1.00 0.70 N ATOM 577 CA PRO A 812 10.813 1.921 -0.866 1.00 0.66 C ATOM 578 C PRO A 812 10.563 1.352 0.528 1.00 0.62 C ATOM 579 O PRO A 812 11.360 1.555 1.443 1.00 0.73 O ATOM 580 CB PRO A 812 11.776 1.012 -1.646 1.00 0.70 C ATOM 581 CG PRO A 812 12.755 1.934 -2.295 1.00 0.95 C ATOM 582 CD PRO A 812 12.851 3.136 -1.402 1.00 0.77 C ATOM 0 HA PRO A 812 9.830 2.008 -1.328 1.00 0.66 H new ATOM 0 HB2 PRO A 812 12.279 0.310 -0.981 1.00 0.70 H new ATOM 0 HB3 PRO A 812 11.242 0.420 -2.389 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.727 1.454 -2.407 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.421 2.216 -3.294 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.617 3.012 -0.637 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.102 4.037 -1.962 1.00 0.77 H new ATOM 590 N ILE A 813 9.451 0.637 0.680 1.00 0.62 N ATOM 591 CA ILE A 813 9.098 0.037 1.962 1.00 0.61 C ATOM 592 C ILE A 813 9.215 -1.483 1.905 1.00 0.59 C ATOM 593 O ILE A 813 9.063 -2.087 0.844 1.00 0.75 O ATOM 594 CB ILE A 813 7.666 0.418 2.389 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.403 1.906 2.131 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.439 0.082 3.856 1.00 1.05 C ATOM 597 CD1 ILE A 813 8.368 2.833 2.840 1.00 1.94 C ATOM 0 H ILE A 813 8.780 0.460 -0.068 1.00 0.62 H new ATOM 0 HA ILE A 813 9.801 0.426 2.699 1.00 0.61 H new ATOM 0 HB ILE A 813 6.964 -0.163 1.790 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.456 2.093 1.059 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.387 2.145 2.446 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.423 0.358 4.139 1.00 1.05 H new ATOM 0 HG22 ILE A 813 7.581 -0.988 4.011 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.150 0.635 4.470 1.00 1.05 H new ATOM 0 HD11 ILE A 813 8.116 3.868 2.607 1.00 1.94 H new ATOM 0 HD12 ILE A 813 8.299 2.676 3.916 1.00 1.94 H new ATOM 0 HD13 ILE A 813 9.385 2.624 2.507 1.00 1.94 H new ATOM 609 N THR A 814 9.483 -2.092 3.054 1.00 0.49 N ATOM 610 CA THR A 814 9.621 -3.541 3.138 1.00 0.49 C ATOM 611 C THR A 814 8.620 -4.133 4.124 1.00 0.47 C ATOM 612 O THR A 814 7.830 -5.009 3.772 1.00 0.54 O ATOM 613 CB THR A 814 11.045 -3.946 3.566 1.00 0.53 C ATOM 614 OG1 THR A 814 11.625 -2.919 4.377 1.00 1.16 O ATOM 615 CG2 THR A 814 11.923 -4.196 2.350 1.00 1.07 C ATOM 0 H THR A 814 9.609 -1.605 3.941 1.00 0.49 H new ATOM 0 HA THR A 814 9.422 -3.935 2.141 1.00 0.49 H new ATOM 0 HB THR A 814 10.979 -4.868 4.143 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.529 -3.186 4.646 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.923 -4.481 2.676 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.494 -4.999 1.751 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.981 -3.288 1.750 1.00 1.07 H new ATOM 623 N LYS A 815 8.657 -3.648 5.363 1.00 0.42 N ATOM 624 CA LYS A 815 7.750 -4.128 6.400 1.00 0.42 C ATOM 625 C LYS A 815 6.493 -3.265 6.465 1.00 0.40 C ATOM 626 O LYS A 815 6.564 -2.067 6.734 1.00 0.48 O ATOM 627 CB LYS A 815 8.453 -4.132 7.759 1.00 0.49 C ATOM 628 CG LYS A 815 7.627 -4.767 8.866 1.00 0.89 C ATOM 629 CD LYS A 815 8.399 -5.865 9.581 1.00 1.30 C ATOM 630 CE LYS A 815 7.468 -6.926 10.142 1.00 1.97 C ATOM 631 NZ LYS A 815 7.874 -7.356 11.509 1.00 2.69 N ATOM 0 H LYS A 815 9.305 -2.924 5.672 1.00 0.42 H new ATOM 0 HA LYS A 815 7.456 -5.147 6.149 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.398 -4.667 7.669 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.693 -3.106 8.038 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.331 -4.002 9.584 1.00 0.89 H new ATOM 0 HG3 LYS A 815 6.710 -5.181 8.445 1.00 0.89 H new ATOM 0 HD2 LYS A 815 9.103 -6.327 8.888 1.00 1.30 H new ATOM 0 HD3 LYS A 815 8.986 -5.431 10.390 1.00 1.30 H new ATOM 0 HE2 LYS A 815 6.450 -6.537 10.171 1.00 1.97 H new ATOM 0 HE3 LYS A 815 7.460 -7.790 9.477 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 7.213 -8.080 11.856 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 8.836 -7.751 11.477 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 7.857 -6.537 12.150 1.00 2.69 H new ATOM 645 N ILE A 816 5.343 -3.886 6.214 1.00 0.36 N ATOM 646 CA ILE A 816 4.069 -3.175 6.242 1.00 0.38 C ATOM 647 C ILE A 816 3.008 -3.967 7.005 1.00 0.33 C ATOM 648 O ILE A 816 3.206 -5.137 7.328 1.00 0.37 O ATOM 649 CB ILE A 816 3.549 -2.881 4.817 1.00 0.41 C ATOM 650 CG1 ILE A 816 2.929 -4.137 4.186 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.670 -2.337 3.942 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.919 -5.258 3.937 1.00 0.53 C ATOM 0 H ILE A 816 5.268 -4.878 5.989 1.00 0.36 H new ATOM 0 HA ILE A 816 4.252 -2.230 6.754 1.00 0.38 H new ATOM 0 HB ILE A 816 2.769 -2.123 4.891 1.00 0.41 H new ATOM 0 HG12 ILE A 816 2.137 -4.505 4.838 1.00 0.59 H new ATOM 0 HG13 ILE A 816 2.462 -3.863 3.240 1.00 0.59 H new ATOM 0 HG21 ILE A 816 4.286 -2.136 2.942 1.00 0.84 H new ATOM 0 HG22 ILE A 816 5.055 -1.414 4.376 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.473 -3.072 3.881 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.402 -6.107 3.490 1.00 0.53 H new ATOM 0 HD12 ILE A 816 4.699 -4.911 3.259 1.00 0.53 H new ATOM 0 HD13 ILE A 816 4.369 -5.563 4.882 1.00 0.53 H new ATOM 664 N LYS A 817 1.882 -3.316 7.281 1.00 0.32 N ATOM 665 CA LYS A 817 0.782 -3.954 7.998 1.00 0.31 C ATOM 666 C LYS A 817 -0.380 -4.237 7.053 1.00 0.32 C ATOM 667 O LYS A 817 -0.367 -3.809 5.898 1.00 0.59 O ATOM 668 CB LYS A 817 0.316 -3.063 9.151 1.00 0.37 C ATOM 669 CG LYS A 817 1.380 -2.843 10.214 1.00 0.39 C ATOM 670 CD LYS A 817 0.936 -3.379 11.566 1.00 0.38 C ATOM 671 CE LYS A 817 1.821 -2.862 12.688 1.00 0.50 C ATOM 672 NZ LYS A 817 1.042 -2.564 13.920 1.00 0.85 N ATOM 0 H LYS A 817 1.707 -2.346 7.019 1.00 0.32 H new ATOM 0 HA LYS A 817 1.138 -4.901 8.404 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.007 -2.097 8.752 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.563 -3.512 9.615 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.305 -3.335 9.912 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.598 -1.778 10.297 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.098 -3.087 11.753 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.962 -4.469 11.553 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.589 -3.602 12.915 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.336 -1.960 12.357 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.641 -2.044 14.592 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.213 -1.985 13.675 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.726 -3.454 14.355 1.00 0.85 H new ATOM 686 N TYR A 818 -1.383 -4.959 7.542 1.00 0.23 N ATOM 687 CA TYR A 818 -2.545 -5.289 6.727 1.00 0.22 C ATOM 688 C TYR A 818 -3.769 -5.583 7.590 1.00 0.23 C ATOM 689 O TYR A 818 -3.648 -6.011 8.737 1.00 0.31 O ATOM 690 CB TYR A 818 -2.236 -6.480 5.814 1.00 0.26 C ATOM 691 CG TYR A 818 -2.162 -7.811 6.531 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.108 -8.098 7.388 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.151 -8.771 6.360 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.040 -9.309 8.052 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.092 -9.981 7.024 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.023 -10.266 7.830 1.00 0.56 C ATOM 697 OH TYR A 818 -1.970 -11.451 8.531 1.00 0.71 O ATOM 0 H TYR A 818 -1.414 -5.325 8.494 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.775 -4.421 6.109 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.002 -6.539 5.041 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.287 -6.299 5.309 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.330 -7.364 7.538 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -3.979 -8.568 5.697 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.230 -9.509 8.737 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.888 -10.701 6.907 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.724 -12.020 8.270 1.00 0.71 H new ATOM 707 N GLN A 819 -4.947 -5.348 7.021 1.00 0.27 N ATOM 708 CA GLN A 819 -6.202 -5.578 7.717 1.00 0.34 C ATOM 709 C GLN A 819 -6.570 -7.053 7.688 1.00 0.40 C ATOM 710 O GLN A 819 -6.974 -7.589 6.656 1.00 0.45 O ATOM 711 CB GLN A 819 -7.320 -4.748 7.082 1.00 0.44 C ATOM 712 CG GLN A 819 -8.426 -4.371 8.054 1.00 0.56 C ATOM 713 CD GLN A 819 -9.807 -4.489 7.440 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.964 -4.994 6.327 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.818 -4.019 8.161 1.00 1.44 N ATOM 0 H GLN A 819 -5.056 -4.995 6.070 1.00 0.27 H new ATOM 0 HA GLN A 819 -6.078 -5.271 8.756 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.892 -3.838 6.662 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.752 -5.309 6.253 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.367 -5.013 8.933 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.271 -3.348 8.396 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.643 -3.609 9.078 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.770 -4.068 7.798 1.00 1.44 H new ATOM 724 N ASP A 820 -6.421 -7.701 8.832 1.00 0.43 N ATOM 725 CA ASP A 820 -6.731 -9.123 8.954 1.00 0.53 C ATOM 726 C ASP A 820 -8.236 -9.341 9.082 1.00 0.62 C ATOM 727 O ASP A 820 -9.013 -8.386 9.095 1.00 0.65 O ATOM 728 CB ASP A 820 -6.013 -9.722 10.164 1.00 0.58 C ATOM 729 CG ASP A 820 -5.724 -11.201 9.991 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.266 -11.593 8.897 1.00 1.80 O ATOM 731 OD2 ASP A 820 -5.956 -11.966 10.949 1.00 1.34 O ATOM 0 H ASP A 820 -6.087 -7.267 9.693 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.384 -9.624 8.051 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.077 -9.188 10.328 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.624 -9.576 11.055 1.00 0.58 H new ATOM 736 N GLU A 821 -8.642 -10.606 9.169 1.00 0.71 N ATOM 737 CA GLU A 821 -10.056 -10.951 9.288 1.00 0.82 C ATOM 738 C GLU A 821 -10.548 -10.781 10.724 1.00 0.83 C ATOM 739 O GLU A 821 -11.303 -11.610 11.233 1.00 0.97 O ATOM 740 CB GLU A 821 -10.291 -12.391 8.821 1.00 0.96 C ATOM 741 CG GLU A 821 -9.397 -13.409 9.511 1.00 1.10 C ATOM 742 CD GLU A 821 -10.085 -14.744 9.717 1.00 1.30 C ATOM 743 OE1 GLU A 821 -10.644 -15.281 8.736 1.00 1.62 O ATOM 744 OE2 GLU A 821 -10.064 -15.254 10.856 1.00 1.53 O ATOM 0 H GLU A 821 -8.012 -11.408 9.159 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.622 -10.271 8.652 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.333 -12.656 8.999 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.127 -12.446 7.745 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.495 -13.557 8.917 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.081 -13.014 10.477 1.00 1.10 H new ATOM 751 N ASP A 822 -10.119 -9.701 11.368 1.00 0.79 N ATOM 752 CA ASP A 822 -10.520 -9.422 12.742 1.00 0.81 C ATOM 753 C ASP A 822 -10.800 -7.935 12.932 1.00 0.73 C ATOM 754 O ASP A 822 -10.957 -7.463 14.058 1.00 0.78 O ATOM 755 CB ASP A 822 -9.433 -9.878 13.716 1.00 0.86 C ATOM 756 CG ASP A 822 -9.362 -11.387 13.841 1.00 1.20 C ATOM 757 OD1 ASP A 822 -8.856 -12.037 12.901 1.00 1.56 O ATOM 758 OD2 ASP A 822 -9.814 -11.921 14.876 1.00 1.65 O ATOM 0 H ASP A 822 -9.494 -9.005 10.961 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.436 -9.976 12.948 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.467 -9.498 13.382 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.624 -9.444 14.697 1.00 0.86 H new ATOM 763 N GLY A 823 -10.860 -7.203 11.823 1.00 0.68 N ATOM 764 CA GLY A 823 -11.119 -5.776 11.886 1.00 0.70 C ATOM 765 C GLY A 823 -10.031 -5.022 12.626 1.00 0.67 C ATOM 766 O GLY A 823 -10.317 -4.229 13.523 1.00 0.88 O ATOM 0 H GLY A 823 -10.734 -7.574 10.881 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.207 -5.381 10.874 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.076 -5.605 12.379 1.00 0.70 H new ATOM 770 N ASP A 824 -8.782 -5.270 12.243 1.00 0.54 N ATOM 771 CA ASP A 824 -7.640 -4.615 12.868 1.00 0.57 C ATOM 772 C ASP A 824 -6.350 -4.971 12.138 1.00 0.55 C ATOM 773 O ASP A 824 -6.109 -6.134 11.805 1.00 0.93 O ATOM 774 CB ASP A 824 -7.533 -5.015 14.342 1.00 0.65 C ATOM 775 CG ASP A 824 -7.177 -6.479 14.525 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.672 -7.312 13.737 1.00 1.86 O ATOM 777 OD2 ASP A 824 -6.403 -6.790 15.454 1.00 1.48 O ATOM 0 H ASP A 824 -8.536 -5.923 11.499 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.791 -3.537 12.805 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -6.778 -4.398 14.828 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -8.481 -4.810 14.840 1.00 0.65 H new ATOM 782 N PHE A 825 -5.527 -3.961 11.891 1.00 0.42 N ATOM 783 CA PHE A 825 -4.258 -4.159 11.200 1.00 0.37 C ATOM 784 C PHE A 825 -3.324 -5.040 12.025 1.00 0.38 C ATOM 785 O PHE A 825 -3.361 -5.017 13.256 1.00 0.44 O ATOM 786 CB PHE A 825 -3.589 -2.812 10.921 1.00 0.39 C ATOM 787 CG PHE A 825 -4.303 -1.992 9.884 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.164 -2.284 8.537 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.115 -0.932 10.257 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.821 -1.534 7.580 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.774 -0.179 9.304 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.627 -0.479 7.964 1.00 0.52 C ATOM 0 H PHE A 825 -5.715 -2.995 12.159 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.462 -4.659 10.253 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.535 -2.243 11.849 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.564 -2.985 10.593 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.535 -3.107 8.231 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.234 -0.692 11.303 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.705 -1.772 6.533 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.404 0.644 9.607 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.141 0.109 7.218 1.00 0.52 H new ATOM 802 N VAL A 826 -2.487 -5.812 11.339 1.00 0.38 N ATOM 803 CA VAL A 826 -1.545 -6.701 12.007 1.00 0.45 C ATOM 804 C VAL A 826 -0.177 -6.636 11.337 1.00 0.36 C ATOM 805 O VAL A 826 -0.003 -5.949 10.330 1.00 0.31 O ATOM 806 CB VAL A 826 -2.044 -8.157 12.003 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.942 -8.420 13.200 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.772 -8.469 10.706 1.00 0.79 C ATOM 0 H VAL A 826 -2.442 -5.839 10.320 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.461 -6.364 13.040 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.179 -8.816 12.076 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.284 -9.455 13.178 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.384 -8.241 14.119 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.803 -7.753 13.163 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.117 -9.503 10.722 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.628 -7.802 10.600 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -2.094 -8.326 9.865 1.00 0.79 H new ATOM 818 N VAL A 827 0.792 -7.351 11.899 1.00 0.37 N ATOM 819 CA VAL A 827 2.143 -7.364 11.351 1.00 0.33 C ATOM 820 C VAL A 827 2.379 -8.605 10.502 1.00 0.30 C ATOM 821 O VAL A 827 2.444 -9.722 11.018 1.00 0.35 O ATOM 822 CB VAL A 827 3.213 -7.306 12.459 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.347 -6.375 12.057 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.602 -6.870 13.782 1.00 0.56 C ATOM 0 H VAL A 827 0.667 -7.927 12.731 1.00 0.37 H new ATOM 0 HA VAL A 827 2.233 -6.473 10.729 1.00 0.33 H new ATOM 0 HB VAL A 827 3.621 -8.308 12.591 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.093 -6.346 12.851 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.808 -6.739 11.139 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.953 -5.372 11.893 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.377 -6.837 14.547 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.160 -5.880 13.670 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.830 -7.580 14.078 1.00 0.56 H new ATOM 834 N LEU A 828 2.507 -8.403 9.194 1.00 0.26 N ATOM 835 CA LEU A 828 2.738 -9.505 8.270 1.00 0.28 C ATOM 836 C LEU A 828 4.204 -9.924 8.280 1.00 0.46 C ATOM 837 O LEU A 828 5.095 -9.107 8.048 1.00 0.60 O ATOM 838 CB LEU A 828 2.320 -9.110 6.851 1.00 0.31 C ATOM 839 CG LEU A 828 2.196 -10.273 5.866 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.019 -10.056 4.928 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.486 -10.443 5.076 1.00 0.81 C ATOM 0 H LEU A 828 2.454 -7.486 8.751 1.00 0.26 H new ATOM 0 HA LEU A 828 2.132 -10.350 8.597 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.362 -8.593 6.901 1.00 0.31 H new ATOM 0 HB3 LEU A 828 3.046 -8.398 6.459 1.00 0.31 H new ATOM 0 HG LEU A 828 2.018 -11.186 6.433 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.947 -10.894 4.235 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.099 -9.985 5.509 1.00 0.66 H new ATOM 0 HD13 LEU A 828 1.166 -9.133 4.367 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.379 -11.275 4.380 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.695 -9.529 4.520 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.308 -10.647 5.762 1.00 0.81 H new ATOM 853 N GLY A 829 4.444 -11.203 8.552 1.00 0.58 N ATOM 854 CA GLY A 829 5.801 -11.712 8.591 1.00 0.81 C ATOM 855 C GLY A 829 6.440 -11.762 7.218 1.00 0.49 C ATOM 856 O GLY A 829 7.400 -11.038 6.946 1.00 0.45 O ATOM 0 H GLY A 829 3.721 -11.896 8.746 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.403 -11.083 9.246 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.798 -12.712 9.024 1.00 0.81 H new ATOM 860 N SER A 830 5.910 -12.618 6.350 1.00 0.35 N ATOM 861 CA SER A 830 6.432 -12.765 4.997 1.00 0.23 C ATOM 862 C SER A 830 5.507 -13.643 4.156 1.00 0.19 C ATOM 863 O SER A 830 4.285 -13.539 4.258 1.00 0.20 O ATOM 864 CB SER A 830 7.841 -13.362 5.037 1.00 0.45 C ATOM 865 OG SER A 830 8.743 -12.592 4.259 1.00 1.31 O ATOM 0 H SER A 830 5.116 -13.222 6.561 1.00 0.35 H new ATOM 0 HA SER A 830 6.481 -11.779 4.536 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.191 -13.407 6.068 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.816 -14.386 4.664 1.00 0.45 H new ATOM 0 HG SER A 830 8.271 -12.218 3.486 1.00 1.31 H new ATOM 871 N ASP A 831 6.093 -14.505 3.328 1.00 0.18 N ATOM 872 CA ASP A 831 5.313 -15.397 2.476 1.00 0.18 C ATOM 873 C ASP A 831 4.388 -16.279 3.308 1.00 0.17 C ATOM 874 O ASP A 831 3.420 -16.839 2.793 1.00 0.22 O ATOM 875 CB ASP A 831 6.242 -16.270 1.629 1.00 0.23 C ATOM 876 CG ASP A 831 7.258 -17.018 2.470 1.00 1.33 C ATOM 877 OD1 ASP A 831 6.857 -17.961 3.184 1.00 1.77 O ATOM 878 OD2 ASP A 831 8.454 -16.661 2.416 1.00 2.20 O ATOM 0 H ASP A 831 7.103 -14.604 3.230 1.00 0.18 H new ATOM 0 HA ASP A 831 4.701 -14.782 1.817 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.647 -16.985 1.062 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.764 -15.644 0.905 1.00 0.23 H new ATOM 883 N GLU A 832 4.690 -16.396 4.600 1.00 0.18 N ATOM 884 CA GLU A 832 3.882 -17.209 5.501 1.00 0.21 C ATOM 885 C GLU A 832 2.544 -16.534 5.783 1.00 0.19 C ATOM 886 O GLU A 832 1.495 -17.014 5.353 1.00 0.19 O ATOM 887 CB GLU A 832 4.628 -17.460 6.813 1.00 0.26 C ATOM 888 CG GLU A 832 5.466 -18.728 6.804 1.00 0.92 C ATOM 889 CD GLU A 832 6.908 -18.480 7.204 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.159 -17.514 7.955 1.00 1.63 O ATOM 891 OE2 GLU A 832 7.788 -19.251 6.764 1.00 2.21 O ATOM 0 H GLU A 832 5.487 -15.939 5.043 1.00 0.18 H new ATOM 0 HA GLU A 832 3.694 -18.166 5.015 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.275 -16.608 7.022 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.905 -17.518 7.627 1.00 0.26 H new ATOM 0 HG2 GLU A 832 5.024 -19.455 7.485 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.440 -19.168 5.807 1.00 0.92 H new ATOM 898 N ASP A 833 2.588 -15.415 6.498 1.00 0.19 N ATOM 899 CA ASP A 833 1.378 -14.670 6.825 1.00 0.19 C ATOM 900 C ASP A 833 0.704 -14.158 5.560 1.00 0.18 C ATOM 901 O ASP A 833 -0.441 -13.717 5.594 1.00 0.18 O ATOM 902 CB ASP A 833 1.702 -13.500 7.756 1.00 0.22 C ATOM 903 CG ASP A 833 1.457 -13.836 9.214 1.00 0.41 C ATOM 904 OD1 ASP A 833 0.285 -13.798 9.644 1.00 0.73 O ATOM 905 OD2 ASP A 833 2.437 -14.138 9.928 1.00 0.73 O ATOM 0 H ASP A 833 3.448 -15.004 6.862 1.00 0.19 H new ATOM 0 HA ASP A 833 0.692 -15.346 7.337 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.745 -13.211 7.623 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.095 -12.639 7.478 1.00 0.22 H new ATOM 910 N TRP A 834 1.418 -14.235 4.441 1.00 0.17 N ATOM 911 CA TRP A 834 0.871 -13.789 3.167 1.00 0.17 C ATOM 912 C TRP A 834 0.059 -14.904 2.523 1.00 0.17 C ATOM 913 O TRP A 834 -1.024 -14.670 1.990 1.00 0.19 O ATOM 914 CB TRP A 834 1.983 -13.330 2.222 1.00 0.19 C ATOM 915 CG TRP A 834 1.481 -12.747 0.931 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.087 -12.832 -0.287 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.276 -11.992 0.726 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.345 -12.173 -1.236 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.227 -11.654 -0.641 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.766 -11.568 1.560 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.818 -10.916 -1.188 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.802 -10.836 1.012 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.823 -10.518 -0.350 1.00 0.26 C ATOM 0 H TRP A 834 2.369 -14.599 4.392 1.00 0.17 H new ATOM 0 HA TRP A 834 0.216 -12.939 3.358 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.596 -12.586 2.731 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.630 -14.178 1.999 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.018 -13.345 -0.478 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.587 -12.085 -2.223 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.760 -11.809 2.613 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.835 -10.666 -2.239 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.610 -10.503 1.647 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.649 -9.947 -0.748 1.00 0.26 H new ATOM 934 N ASN A 835 0.585 -16.122 2.597 1.00 0.18 N ATOM 935 CA ASN A 835 -0.096 -17.285 2.042 1.00 0.20 C ATOM 936 C ASN A 835 -1.350 -17.576 2.856 1.00 0.20 C ATOM 937 O ASN A 835 -2.385 -17.964 2.314 1.00 0.23 O ATOM 938 CB ASN A 835 0.841 -18.496 2.042 1.00 0.23 C ATOM 939 CG ASN A 835 0.309 -19.655 2.864 1.00 1.38 C ATOM 940 OD1 ASN A 835 0.600 -19.645 4.159 1.00 1.90 O flip ATOM 941 ND2 ASN A 835 -0.355 -20.550 2.341 1.00 1.98 N flip ATOM 0 H ASN A 835 1.482 -16.329 3.037 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.384 -17.078 1.011 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.998 -18.827 1.016 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.813 -18.196 2.433 1.00 0.23 H new ATOM 0 HD21 ASN A 835 -0.556 -20.519 1.341 1.00 1.98 H new ATOM 0 HD22 ASN A 835 -0.705 -21.323 2.907 1.00 1.98 H new ATOM 948 N VAL A 836 -1.242 -17.364 4.161 1.00 0.20 N ATOM 949 CA VAL A 836 -2.357 -17.575 5.071 1.00 0.22 C ATOM 950 C VAL A 836 -3.413 -16.502 4.854 1.00 0.22 C ATOM 951 O VAL A 836 -4.577 -16.806 4.590 1.00 0.27 O ATOM 952 CB VAL A 836 -1.900 -17.548 6.543 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.080 -17.766 7.478 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.819 -18.590 6.784 1.00 0.62 C ATOM 0 H VAL A 836 -0.386 -17.044 4.614 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.775 -18.559 4.859 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.480 -16.565 6.754 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.734 -17.743 8.511 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.817 -16.977 7.324 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.536 -18.734 7.269 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.508 -18.557 7.828 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.211 -19.581 6.553 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.038 -18.380 6.144 1.00 0.62 H new ATOM 964 N ALA A 837 -2.993 -15.243 4.953 1.00 0.20 N ATOM 965 CA ALA A 837 -3.902 -14.121 4.750 1.00 0.20 C ATOM 966 C ALA A 837 -4.550 -14.200 3.371 1.00 0.20 C ATOM 967 O ALA A 837 -5.637 -13.665 3.152 1.00 0.21 O ATOM 968 CB ALA A 837 -3.165 -12.800 4.911 1.00 0.22 C ATOM 0 H ALA A 837 -2.033 -14.976 5.172 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.686 -14.175 5.506 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.860 -11.975 4.756 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.745 -12.737 5.915 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.361 -12.740 4.178 1.00 0.22 H new ATOM 974 N LYS A 838 -3.876 -14.881 2.448 1.00 0.21 N ATOM 975 CA LYS A 838 -4.387 -15.044 1.091 1.00 0.24 C ATOM 976 C LYS A 838 -5.575 -15.996 1.083 1.00 0.24 C ATOM 977 O LYS A 838 -6.628 -15.689 0.523 1.00 0.26 O ATOM 978 CB LYS A 838 -3.290 -15.570 0.163 1.00 0.28 C ATOM 979 CG LYS A 838 -2.587 -14.481 -0.631 1.00 0.38 C ATOM 980 CD LYS A 838 -1.761 -15.060 -1.768 1.00 0.49 C ATOM 981 CE LYS A 838 -0.585 -15.875 -1.250 1.00 0.68 C ATOM 982 NZ LYS A 838 0.237 -16.432 -2.360 1.00 0.85 N ATOM 0 H LYS A 838 -2.975 -15.329 2.615 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.713 -14.069 0.729 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.551 -16.109 0.757 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.727 -16.289 -0.531 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.327 -13.789 -1.034 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -1.941 -13.906 0.032 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.393 -15.690 -2.393 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.393 -14.251 -2.400 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.040 -15.247 -0.615 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.954 -16.690 -0.628 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 0.955 -17.076 -1.971 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.376 -16.954 -3.018 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.707 -15.655 -2.868 1.00 0.85 H new ATOM 996 N GLU A 839 -5.400 -17.152 1.719 1.00 0.26 N ATOM 997 CA GLU A 839 -6.461 -18.148 1.798 1.00 0.29 C ATOM 998 C GLU A 839 -7.670 -17.573 2.527 1.00 0.27 C ATOM 999 O GLU A 839 -8.793 -18.051 2.368 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.960 -19.402 2.520 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.068 -20.670 1.688 1.00 0.71 C ATOM 1002 CD GLU A 839 -4.901 -20.843 0.735 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -4.821 -20.079 -0.250 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -4.070 -21.744 0.974 1.00 1.82 O ATOM 0 H GLU A 839 -4.534 -17.420 2.186 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.757 -18.421 0.785 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.919 -19.254 2.807 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.529 -19.532 3.441 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.121 -21.533 2.352 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -6.997 -20.649 1.119 1.00 0.71 H new ATOM 1011 N MET A 840 -7.424 -16.536 3.324 1.00 0.25 N ATOM 1012 CA MET A 840 -8.481 -15.874 4.080 1.00 0.24 C ATOM 1013 C MET A 840 -9.288 -14.951 3.172 1.00 0.24 C ATOM 1014 O MET A 840 -10.504 -14.825 3.320 1.00 0.27 O ATOM 1015 CB MET A 840 -7.873 -15.087 5.248 1.00 0.24 C ATOM 1016 CG MET A 840 -8.698 -13.886 5.687 1.00 0.26 C ATOM 1017 SD MET A 840 -7.721 -12.674 6.598 1.00 0.30 S ATOM 1018 CE MET A 840 -7.083 -11.673 5.257 1.00 0.27 C ATOM 0 H MET A 840 -6.496 -16.135 3.462 1.00 0.25 H new ATOM 0 HA MET A 840 -9.156 -16.630 4.481 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.748 -15.758 6.098 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.878 -14.745 4.963 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.136 -13.410 4.810 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.524 -14.225 6.311 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.968 -10.643 5.595 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.115 -12.061 4.942 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.777 -11.705 4.417 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.601 -14.313 2.229 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.249 -13.404 1.291 1.00 0.24 C ATOM 1030 C LEU A 841 -10.203 -14.166 0.376 1.00 0.24 C ATOM 1031 O LEU A 841 -11.356 -13.772 0.202 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.196 -12.669 0.455 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.546 -11.468 1.146 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.214 -11.134 0.494 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.475 -10.265 1.108 1.00 0.38 C ATOM 0 H LEU A 841 -7.594 -14.409 2.095 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.824 -12.674 1.861 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.415 -13.377 0.178 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.661 -12.329 -0.471 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.362 -11.728 2.188 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.767 -10.278 0.998 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.545 -11.991 0.572 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.374 -10.893 -0.557 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.997 -9.420 1.604 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.690 -10.004 0.072 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.406 -10.508 1.621 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.715 -15.259 -0.199 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.523 -16.080 -1.092 1.00 0.35 C ATOM 1049 C ALA A 842 -11.675 -16.737 -0.341 1.00 0.36 C ATOM 1050 O ALA A 842 -12.740 -16.980 -0.909 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.664 -17.139 -1.754 1.00 0.49 C ATOM 0 H ALA A 842 -8.762 -15.597 -0.062 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.942 -15.430 -1.860 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.281 -17.745 -2.418 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.874 -16.658 -2.331 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.219 -17.777 -0.990 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.455 -17.018 0.941 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.478 -17.642 1.772 1.00 0.42 C ATOM 1059 C GLU A 843 -13.627 -16.673 2.026 1.00 0.53 C ATOM 1060 O GLU A 843 -14.545 -16.968 2.792 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.878 -18.098 3.105 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.500 -19.374 3.647 1.00 0.57 C ATOM 1063 CD GLU A 843 -11.463 -20.422 4.003 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -11.046 -21.176 3.099 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -11.069 -20.488 5.186 1.00 1.36 O ATOM 0 H GLU A 843 -10.579 -16.823 1.425 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.864 -18.512 1.241 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.806 -18.252 2.978 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.001 -17.303 3.840 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.092 -19.138 4.532 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.185 -19.784 2.905 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.569 -15.516 1.374 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.603 -14.498 1.523 1.00 0.77 C ATOM 1074 C ASN A 844 -14.862 -13.788 0.198 1.00 0.81 C ATOM 1075 O ASN A 844 -15.418 -12.688 0.171 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.197 -13.481 2.591 1.00 0.89 C ATOM 1077 CG ASN A 844 -14.673 -13.874 3.976 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -15.749 -13.463 4.413 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -13.874 -14.671 4.674 1.00 1.05 N ATOM 0 H ASN A 844 -12.815 -15.260 0.736 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.523 -14.993 1.835 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.112 -13.380 2.598 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -14.606 -12.504 2.333 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.142 -14.967 5.612 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -12.991 -14.987 4.272 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.456 -14.426 -0.898 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.639 -13.866 -2.234 1.00 0.56 C ATOM 1088 C ASN A 845 -13.883 -12.550 -2.393 1.00 0.48 C ATOM 1089 O ASN A 845 -14.062 -11.839 -3.384 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.127 -13.653 -2.527 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.567 -14.336 -3.807 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -16.461 -15.554 -3.943 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.065 -13.550 -4.755 1.00 1.97 N ATOM 0 H ASN A 845 -13.996 -15.336 -0.886 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.233 -14.580 -2.950 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.717 -14.034 -1.694 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.331 -12.585 -2.600 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -17.378 -13.952 -5.639 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -17.135 -12.544 -4.599 1.00 1.97 H new ATOM 1100 N GLU A 846 -13.039 -12.229 -1.417 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.258 -11.001 -1.455 1.00 0.31 C ATOM 1102 C GLU A 846 -11.075 -11.138 -2.406 1.00 0.30 C ATOM 1103 O GLU A 846 -10.819 -12.218 -2.941 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.762 -10.647 -0.051 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.558 -9.538 0.622 1.00 0.44 C ATOM 1106 CD GLU A 846 -14.047 -9.622 0.338 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -14.495 -9.027 -0.666 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.764 -10.282 1.120 1.00 1.69 O ATOM 0 H GLU A 846 -12.880 -12.804 -0.590 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.901 -10.200 -1.819 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.801 -11.540 0.573 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.716 -10.346 -0.111 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.396 -9.584 1.699 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -12.183 -8.572 0.284 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.356 -10.040 -2.611 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.199 -10.040 -3.500 1.00 0.31 C ATOM 1117 C LYS A 847 -8.252 -8.892 -3.159 1.00 0.36 C ATOM 1118 O LYS A 847 -7.037 -9.015 -3.309 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.646 -9.930 -4.959 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.890 -9.079 -5.155 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.238 -8.929 -6.629 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.035 -10.119 -7.138 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.187 -9.696 -7.982 1.00 1.98 N ATOM 0 H LYS A 847 -10.553 -9.139 -2.175 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.668 -10.982 -3.362 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.832 -9.508 -5.548 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.836 -10.930 -5.348 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.729 -9.532 -4.627 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.731 -8.094 -4.716 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.813 -8.015 -6.777 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -10.322 -8.827 -7.211 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -11.382 -10.773 -7.716 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.400 -10.701 -6.291 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -13.705 -10.537 -8.309 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.824 -9.093 -7.423 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -12.838 -9.163 -8.804 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.818 -7.781 -2.698 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.024 -6.612 -2.334 1.00 0.37 C ATOM 1139 C PHE A 848 -7.413 -6.781 -0.947 1.00 0.30 C ATOM 1140 O PHE A 848 -8.000 -7.422 -0.075 1.00 0.39 O ATOM 1141 CB PHE A 848 -8.884 -5.347 -2.375 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.965 -5.382 -3.417 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.649 -5.353 -4.767 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.298 -5.442 -3.046 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.644 -5.385 -5.726 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.297 -5.474 -4.001 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.969 -5.445 -5.343 1.00 0.98 C ATOM 0 H PHE A 848 -9.823 -7.665 -2.568 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.216 -6.514 -3.059 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.340 -5.197 -1.396 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.240 -4.487 -2.561 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.614 -5.305 -5.072 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.560 -5.464 -1.999 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -10.385 -5.363 -6.774 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.333 -5.522 -3.699 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.748 -5.469 -6.091 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.232 -6.205 -0.751 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.539 -6.295 0.532 1.00 0.23 C ATOM 1159 C LEU A 849 -5.199 -4.907 1.069 1.00 0.24 C ATOM 1160 O LEU A 849 -4.609 -4.087 0.366 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.264 -7.132 0.380 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.813 -7.903 1.630 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.936 -7.027 2.508 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.008 -8.424 2.419 1.00 0.74 C ATOM 0 H LEU A 849 -5.734 -5.671 -1.463 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.203 -6.781 1.247 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.416 -7.847 -0.429 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.454 -6.471 0.073 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.229 -8.763 1.301 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.626 -7.589 3.389 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.055 -6.716 1.947 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.497 -6.146 2.819 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.656 -8.965 3.297 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.629 -7.586 2.734 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.594 -9.094 1.791 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.578 -4.652 2.321 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.316 -3.364 2.959 1.00 0.29 C ATOM 1178 C ASN A 850 -3.872 -3.278 3.443 1.00 0.30 C ATOM 1179 O ASN A 850 -3.205 -4.297 3.615 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.272 -3.150 4.134 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.727 -3.211 3.715 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.212 -4.247 3.260 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.432 -2.096 3.866 1.00 0.92 N ATOM 0 H ASN A 850 -6.068 -5.322 2.914 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.479 -2.581 2.218 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.084 -3.908 4.894 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.069 -2.182 4.592 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.417 -2.075 3.601 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -7.989 -1.260 4.247 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.392 -2.057 3.660 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.022 -1.850 4.123 1.00 0.36 C ATOM 1192 C ILE A 851 -1.965 -0.869 5.291 1.00 0.53 C ATOM 1193 O ILE A 851 -2.934 -0.161 5.563 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.119 -1.339 2.991 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.501 -2.031 1.686 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.347 -1.560 3.325 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.707 -3.287 1.380 1.00 1.04 C ATOM 0 H ILE A 851 -3.927 -1.200 3.524 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.658 -2.821 4.459 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.264 -0.265 2.874 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.560 -2.287 1.722 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.371 -1.326 0.865 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.966 -1.190 2.508 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.596 -1.024 4.241 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.531 -2.625 3.466 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.046 -3.711 0.435 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.352 -3.039 1.307 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.855 -4.015 2.178 1.00 1.04 H new ATOM 1209 N ARG A 852 -0.823 -0.836 5.972 1.00 0.59 N ATOM 1210 CA ARG A 852 -0.623 0.054 7.113 1.00 0.80 C ATOM 1211 C ARG A 852 -0.984 1.498 6.756 1.00 0.83 C ATOM 1212 O ARG A 852 -2.136 1.910 6.902 1.00 1.70 O ATOM 1213 CB ARG A 852 0.831 -0.035 7.590 1.00 1.22 C ATOM 1214 CG ARG A 852 1.118 0.758 8.853 1.00 2.24 C ATOM 1215 CD ARG A 852 2.556 1.248 8.888 1.00 3.05 C ATOM 1216 NE ARG A 852 2.717 2.528 8.201 1.00 3.71 N ATOM 1217 CZ ARG A 852 3.855 2.924 7.637 1.00 4.39 C ATOM 1218 NH1 ARG A 852 4.923 2.138 7.667 1.00 4.68 N ATOM 1219 NH2 ARG A 852 3.925 4.106 7.039 1.00 5.09 N ATOM 0 H ARG A 852 -0.016 -1.420 5.752 1.00 0.59 H new ATOM 0 HA ARG A 852 -1.284 -0.263 7.920 1.00 0.80 H new ATOM 0 HB2 ARG A 852 1.081 -1.081 7.766 1.00 1.22 H new ATOM 0 HB3 ARG A 852 1.486 0.320 6.794 1.00 1.22 H new ATOM 0 HG2 ARG A 852 0.441 1.610 8.911 1.00 2.24 H new ATOM 0 HG3 ARG A 852 0.923 0.136 9.727 1.00 2.24 H new ATOM 0 HD2 ARG A 852 2.879 1.350 9.924 1.00 3.05 H new ATOM 0 HD3 ARG A 852 3.204 0.504 8.424 1.00 3.05 H new ATOM 0 HE ARG A 852 1.912 3.152 8.151 1.00 3.71 H new ATOM 0 HH11 ARG A 852 4.873 1.227 8.123 1.00 4.68 H new ATOM 0 HH12 ARG A 852 5.794 2.444 7.234 1.00 4.68 H new ATOM 0 HH21 ARG A 852 3.106 4.713 7.011 1.00 5.09 H new ATOM 0 HH22 ARG A 852 4.798 4.408 6.607 1.00 5.09 H new ATOM 1233 N LEU A 853 0.002 2.260 6.283 1.00 0.91 N ATOM 1234 CA LEU A 853 -0.214 3.655 5.901 1.00 1.58 C ATOM 1235 C LEU A 853 -0.918 4.440 7.008 1.00 2.01 C ATOM 1236 O LEU A 853 -1.575 5.446 6.744 1.00 2.60 O ATOM 1237 CB LEU A 853 -1.033 3.730 4.611 1.00 1.88 C ATOM 1238 CG LEU A 853 -0.232 4.077 3.354 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -0.971 3.614 2.107 1.00 1.95 C ATOM 1240 CD2 LEU A 853 0.039 5.573 3.291 1.00 2.38 C ATOM 0 H LEU A 853 0.960 1.934 6.155 1.00 0.91 H new ATOM 0 HA LEU A 853 0.764 4.107 5.737 1.00 1.58 H new ATOM 0 HB2 LEU A 853 -1.526 2.770 4.456 1.00 1.88 H new ATOM 0 HB3 LEU A 853 -1.818 4.475 4.740 1.00 1.88 H new ATOM 0 HG LEU A 853 0.725 3.556 3.400 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -0.387 3.869 1.222 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -1.114 2.534 2.149 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -1.942 4.107 2.055 1.00 1.95 H new ATOM 0 HD21 LEU A 853 0.610 5.802 2.391 1.00 2.38 H new ATOM 0 HD22 LEU A 853 -0.907 6.114 3.268 1.00 2.38 H new ATOM 0 HD23 LEU A 853 0.609 5.877 4.169 1.00 2.38 H new ATOM 1252 N TYR A 854 -0.773 3.975 8.244 1.00 1.85 N ATOM 1253 CA TYR A 854 -1.393 4.638 9.387 1.00 2.27 C ATOM 1254 C TYR A 854 -0.407 4.764 10.544 1.00 2.81 C ATOM 1255 O TYR A 854 -0.585 5.680 11.376 1.00 3.39 O ATOM 1256 CB TYR A 854 -2.644 3.870 9.835 1.00 2.12 C ATOM 1257 CG TYR A 854 -2.351 2.635 10.658 1.00 1.65 C ATOM 1258 CD1 TYR A 854 -2.014 1.432 10.048 1.00 1.32 C ATOM 1259 CD2 TYR A 854 -2.414 2.669 12.046 1.00 1.81 C ATOM 1260 CE1 TYR A 854 -1.748 0.302 10.795 1.00 1.08 C ATOM 1261 CE2 TYR A 854 -2.150 1.542 12.800 1.00 1.84 C ATOM 1262 CZ TYR A 854 -1.817 0.362 12.172 1.00 1.48 C ATOM 1263 OH TYR A 854 -1.553 -0.762 12.920 1.00 1.82 O ATOM 1264 OXT TYR A 854 0.536 3.948 10.610 1.00 3.18 O ATOM 0 H TYR A 854 -0.233 3.143 8.481 1.00 1.85 H new ATOM 0 HA TYR A 854 -1.688 5.641 9.079 1.00 2.27 H new ATOM 0 HB2 TYR A 854 -3.278 4.539 10.417 1.00 2.12 H new ATOM 0 HB3 TYR A 854 -3.213 3.578 8.952 1.00 2.12 H new ATOM 0 HD1 TYR A 854 -1.959 1.381 8.971 1.00 1.32 H new ATOM 0 HD2 TYR A 854 -2.674 3.592 12.543 1.00 1.81 H new ATOM 0 HE1 TYR A 854 -1.487 -0.624 10.304 1.00 1.08 H new ATOM 0 HE2 TYR A 854 -2.204 1.586 13.878 1.00 1.84 H new ATOM 0 HH TYR A 854 -1.644 -0.550 13.872 1.00 1.82 H new TER 1274 TYR A 854