USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 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+ 136:sc= 0.0706 (180deg=0) USER MOD Set 1.2: A 854 TYR OH : rot 180:sc= 0.0538 USER MOD Set 2.1: A 800 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 804 ASN : amide:sc= -0.144 K(o=-0.14,f=0.36) 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= 0.0237 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.095) USER MOD Single : A 796 MET CE :methyl 159:sc= -0.583 (180deg=-1.74!) USER MOD Single : A 799 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.8) 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 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.019) USER MOD Single : A 807 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 808 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.092) USER MOD Single : A 809 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.8!) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 113:sc= 0.008 USER MOD Single : A 819 GLN : amide:sc= -0.368 K(o=-0.37,f=-2.9!) USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.1) USER MOD Single : A 838 LYS NZ :NH3+ -164:sc= 1 (180deg=0.79) USER MOD Single : A 840 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 ASN : amide:sc= -0.901 X(o=-0.9,f=-0.71) USER MOD Single : A 845 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 850 ASN : amide:sc= -2.85! C(o=-2.8!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -1.580 10.168 11.135 1.00 9.10 N ATOM 2 CA GLY A 775 -2.680 11.112 10.794 1.00 8.80 C ATOM 3 C GLY A 775 -3.876 10.967 11.714 1.00 8.11 C ATOM 4 O GLY A 775 -3.747 10.478 12.837 1.00 8.12 O ATOM 0 HA2 GLY A 775 -2.306 12.135 10.848 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -2.995 10.941 9.765 1.00 8.80 H new ATOM 10 N ALA A 776 -5.043 11.392 11.238 1.00 7.81 N ATOM 11 CA ALA A 776 -6.266 11.307 12.025 1.00 7.43 C ATOM 12 C ALA A 776 -7.333 10.498 11.294 1.00 6.66 C ATOM 13 O ALA A 776 -8.255 9.967 11.913 1.00 6.79 O ATOM 14 CB ALA A 776 -6.785 12.701 12.343 1.00 8.12 C ATOM 0 H ALA A 776 -5.166 11.799 10.311 1.00 7.81 H new ATOM 0 HA ALA A 776 -6.034 10.795 12.959 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -7.699 12.623 12.931 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -6.033 13.248 12.911 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -6.995 13.232 11.414 1.00 8.12 H new ATOM 20 N MET A 777 -7.200 10.409 9.974 1.00 6.18 N ATOM 21 CA MET A 777 -8.152 9.664 9.159 1.00 5.71 C ATOM 22 C MET A 777 -7.651 8.249 8.890 1.00 5.06 C ATOM 23 O MET A 777 -8.424 7.292 8.904 1.00 5.55 O ATOM 24 CB MET A 777 -8.401 10.389 7.835 1.00 6.17 C ATOM 25 CG MET A 777 -9.062 11.747 7.996 1.00 6.70 C ATOM 26 SD MET A 777 -8.786 12.828 6.577 1.00 7.49 S ATOM 27 CE MET A 777 -10.416 13.541 6.370 1.00 8.34 C ATOM 0 H MET A 777 -6.443 10.843 9.447 1.00 6.18 H new ATOM 0 HA MET A 777 -9.089 9.599 9.712 1.00 5.71 H new ATOM 0 HB2 MET A 777 -7.451 10.517 7.317 1.00 6.17 H new ATOM 0 HB3 MET A 777 -9.028 9.763 7.201 1.00 6.17 H new ATOM 0 HG2 MET A 777 -10.134 11.610 8.140 1.00 6.70 H new ATOM 0 HG3 MET A 777 -8.678 12.229 8.895 1.00 6.70 H new ATOM 0 HE1 MET A 777 -10.406 14.233 5.528 1.00 8.34 H new ATOM 0 HE2 MET A 777 -11.139 12.748 6.179 1.00 8.34 H new ATOM 0 HE3 MET A 777 -10.697 14.077 7.277 1.00 8.34 H new ATOM 37 N GLY A 778 -6.350 8.125 8.641 1.00 4.25 N ATOM 38 CA GLY A 778 -5.766 6.826 8.368 1.00 3.79 C ATOM 39 C GLY A 778 -5.789 6.484 6.891 1.00 2.65 C ATOM 40 O GLY A 778 -6.857 6.349 6.294 1.00 2.91 O ATOM 0 H GLY A 778 -5.690 8.903 8.624 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -4.737 6.810 8.726 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -6.309 6.062 8.924 1.00 3.79 H new ATOM 44 N SER A 779 -4.606 6.346 6.297 1.00 1.98 N ATOM 45 CA SER A 779 -4.495 6.022 4.881 1.00 1.35 C ATOM 46 C SER A 779 -4.393 4.516 4.668 1.00 1.02 C ATOM 47 O SER A 779 -3.616 3.834 5.338 1.00 1.06 O ATOM 48 CB SER A 779 -3.276 6.716 4.272 1.00 2.12 C ATOM 49 OG SER A 779 -2.097 6.414 5.002 1.00 2.61 O ATOM 0 H SER A 779 -3.712 6.454 6.776 1.00 1.98 H new ATOM 0 HA SER A 779 -5.397 6.379 4.384 1.00 1.35 H new ATOM 0 HB2 SER A 779 -3.156 6.402 3.235 1.00 2.12 H new ATOM 0 HB3 SER A 779 -3.435 7.794 4.262 1.00 2.12 H new ATOM 0 HG SER A 779 -1.332 6.869 4.591 1.00 2.61 H new ATOM 55 N ILE A 780 -5.181 4.002 3.727 1.00 0.79 N ATOM 56 CA ILE A 780 -5.179 2.576 3.421 1.00 0.51 C ATOM 57 C ILE A 780 -4.545 2.314 2.060 1.00 0.46 C ATOM 58 O ILE A 780 -4.099 3.242 1.385 1.00 0.53 O ATOM 59 CB ILE A 780 -6.606 1.986 3.434 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.558 2.898 4.212 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.595 0.589 4.036 1.00 0.58 C ATOM 62 CD1 ILE A 780 -9.018 2.678 3.874 1.00 1.22 C ATOM 0 H ILE A 780 -5.829 4.553 3.164 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.592 2.088 4.199 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.961 1.918 2.406 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.412 2.735 5.280 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.299 3.937 4.009 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.608 0.186 4.039 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.949 -0.058 3.443 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -6.221 0.636 5.059 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.634 3.358 4.462 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -9.179 2.869 2.813 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -9.293 1.649 4.103 1.00 1.22 H new ATOM 74 N PHE A 781 -4.512 1.047 1.659 1.00 0.39 N ATOM 75 CA PHE A 781 -3.940 0.661 0.383 1.00 0.36 C ATOM 76 C PHE A 781 -4.456 -0.710 -0.022 1.00 0.30 C ATOM 77 O PHE A 781 -3.950 -1.734 0.428 1.00 0.35 O ATOM 78 CB PHE A 781 -2.412 0.652 0.459 1.00 0.41 C ATOM 79 CG PHE A 781 -1.747 1.403 -0.659 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.952 2.764 -0.817 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.919 0.746 -1.556 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.343 3.456 -1.847 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.308 1.432 -2.588 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.510 2.793 -2.725 1.00 0.73 C ATOM 0 H PHE A 781 -4.879 0.269 2.207 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.241 1.390 -0.370 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -2.102 1.085 1.410 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.063 -0.380 0.449 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.595 3.290 -0.127 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.749 -0.315 -1.447 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.519 4.515 -1.965 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.326 0.906 -3.286 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.017 3.336 -3.518 1.00 0.73 H new ATOM 94 N THR A 782 -5.474 -0.720 -0.864 1.00 0.28 N ATOM 95 CA THR A 782 -6.072 -1.967 -1.323 1.00 0.29 C ATOM 96 C THR A 782 -5.504 -2.372 -2.675 1.00 0.35 C ATOM 97 O THR A 782 -5.976 -1.933 -3.725 1.00 0.52 O ATOM 98 CB THR A 782 -7.604 -1.851 -1.432 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.010 -0.489 -1.244 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.290 -2.735 -0.401 1.00 0.44 C ATOM 0 H THR A 782 -5.906 0.121 -1.246 1.00 0.28 H new ATOM 0 HA THR A 782 -5.830 -2.730 -0.583 1.00 0.29 H new ATOM 0 HB THR A 782 -7.899 -2.183 -2.427 1.00 0.41 H new ATOM 0 HG1 THR A 782 -8.985 -0.425 -1.317 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.371 -2.636 -0.498 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.005 -3.774 -0.565 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.986 -2.429 0.600 1.00 0.44 H new ATOM 108 N LEU A 783 -4.475 -3.212 -2.633 1.00 0.40 N ATOM 109 CA LEU A 783 -3.810 -3.688 -3.840 1.00 0.56 C ATOM 110 C LEU A 783 -4.424 -4.998 -4.323 1.00 0.58 C ATOM 111 O LEU A 783 -4.334 -6.024 -3.649 1.00 0.99 O ATOM 112 CB LEU A 783 -2.314 -3.880 -3.565 1.00 0.67 C ATOM 113 CG LEU A 783 -1.371 -3.423 -4.676 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.474 -4.354 -5.869 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.671 -1.989 -5.079 1.00 1.53 C ATOM 0 H LEU A 783 -4.081 -3.580 -1.767 1.00 0.40 H new ATOM 0 HA LEU A 783 -3.943 -2.942 -4.623 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.059 -3.340 -2.653 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.132 -4.937 -3.371 1.00 0.67 H new ATOM 0 HG LEU A 783 -0.348 -3.459 -4.300 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.797 -4.017 -6.653 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.203 -5.365 -5.566 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -2.497 -4.350 -6.246 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.988 -1.683 -5.872 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -2.698 -1.919 -5.438 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.543 -1.334 -4.217 1.00 1.53 H new ATOM 127 N LEU A 784 -5.046 -4.954 -5.499 1.00 0.27 N ATOM 128 CA LEU A 784 -5.671 -6.137 -6.078 1.00 0.26 C ATOM 129 C LEU A 784 -4.628 -7.217 -6.344 1.00 0.23 C ATOM 130 O LEU A 784 -3.856 -7.130 -7.299 1.00 0.29 O ATOM 131 CB LEU A 784 -6.394 -5.772 -7.376 1.00 0.31 C ATOM 132 CG LEU A 784 -7.407 -6.804 -7.875 1.00 0.51 C ATOM 133 CD1 LEU A 784 -8.500 -6.127 -8.689 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.716 -7.877 -8.702 1.00 0.75 C ATOM 0 H LEU A 784 -5.130 -4.112 -6.068 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.399 -6.526 -5.366 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -6.910 -4.823 -7.230 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -5.648 -5.613 -8.155 1.00 0.31 H new ATOM 0 HG LEU A 784 -7.866 -7.281 -7.009 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -9.212 -6.876 -9.036 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -9.017 -5.396 -8.067 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.055 -5.624 -9.548 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.454 -8.601 -9.048 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -6.229 -7.417 -9.562 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.969 -8.383 -8.090 1.00 0.75 H new ATOM 146 N VAL A 785 -4.609 -8.232 -5.486 1.00 0.25 N ATOM 147 CA VAL A 785 -3.659 -9.330 -5.618 1.00 0.30 C ATOM 148 C VAL A 785 -4.294 -10.537 -6.304 1.00 0.34 C ATOM 149 O VAL A 785 -5.419 -10.460 -6.801 1.00 0.55 O ATOM 150 CB VAL A 785 -3.117 -9.763 -4.243 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.447 -8.592 -3.541 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.232 -10.340 -3.382 1.00 1.18 C ATOM 0 H VAL A 785 -5.242 -8.317 -4.691 1.00 0.25 H new ATOM 0 HA VAL A 785 -2.836 -8.964 -6.232 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.371 -10.542 -4.399 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.070 -8.917 -2.571 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.619 -8.229 -4.149 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.172 -7.790 -3.399 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -3.827 -10.639 -2.415 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.005 -9.586 -3.234 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.663 -11.209 -3.880 1.00 1.18 H new ATOM 162 N GLU A 786 -3.565 -11.649 -6.326 1.00 0.38 N ATOM 163 CA GLU A 786 -4.052 -12.875 -6.946 1.00 0.42 C ATOM 164 C GLU A 786 -3.837 -14.073 -6.025 1.00 0.46 C ATOM 165 O GLU A 786 -3.250 -13.942 -4.949 1.00 0.48 O ATOM 166 CB GLU A 786 -3.342 -13.111 -8.282 1.00 0.43 C ATOM 167 CG GLU A 786 -4.159 -13.927 -9.272 1.00 0.56 C ATOM 168 CD GLU A 786 -4.448 -13.168 -10.553 1.00 0.75 C ATOM 169 OE1 GLU A 786 -3.540 -13.079 -11.406 1.00 1.02 O ATOM 170 OE2 GLU A 786 -5.580 -12.663 -10.702 1.00 1.40 O ATOM 0 H GLU A 786 -2.632 -11.725 -5.920 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.122 -12.763 -7.124 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.101 -12.147 -8.731 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.397 -13.622 -8.096 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.622 -14.845 -9.511 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.100 -14.220 -8.807 1.00 0.56 H new ATOM 177 N LYS A 787 -4.313 -15.238 -6.453 1.00 0.51 N ATOM 178 CA LYS A 787 -4.171 -16.459 -5.667 1.00 0.57 C ATOM 179 C LYS A 787 -2.864 -17.170 -6.002 1.00 0.60 C ATOM 180 O LYS A 787 -2.795 -18.399 -6.019 1.00 1.07 O ATOM 181 CB LYS A 787 -5.351 -17.393 -5.922 1.00 0.64 C ATOM 182 CG LYS A 787 -5.545 -17.748 -7.388 1.00 1.29 C ATOM 183 CD LYS A 787 -6.635 -16.904 -8.026 1.00 1.49 C ATOM 184 CE LYS A 787 -7.578 -17.753 -8.864 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.493 -17.414 -10.312 1.00 2.85 N ATOM 0 H LYS A 787 -4.801 -15.362 -7.340 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.156 -16.184 -4.612 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.207 -18.310 -5.351 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -6.261 -16.925 -5.547 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -4.608 -17.602 -7.926 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -5.802 -18.804 -7.477 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.200 -16.390 -7.249 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.182 -16.135 -8.652 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -7.339 -18.807 -8.723 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -8.601 -17.609 -8.517 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -8.151 -18.015 -10.848 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.746 -16.415 -10.450 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -6.523 -17.576 -10.650 1.00 2.85 H new ATOM 199 N VAL A 788 -1.834 -16.381 -6.272 1.00 0.29 N ATOM 200 CA VAL A 788 -0.521 -16.915 -6.615 1.00 0.29 C ATOM 201 C VAL A 788 0.587 -15.955 -6.185 1.00 0.26 C ATOM 202 O VAL A 788 1.710 -16.373 -5.896 1.00 0.29 O ATOM 203 CB VAL A 788 -0.411 -17.178 -8.133 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.961 -15.998 -8.920 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.028 -17.467 -8.536 1.00 0.33 C ATOM 0 H VAL A 788 -1.882 -15.362 -6.260 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.402 -17.858 -6.082 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.008 -18.059 -8.367 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.875 -16.201 -9.988 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -2.009 -15.846 -8.663 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.393 -15.101 -8.675 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.076 -17.648 -9.610 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.655 -16.612 -8.284 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.385 -18.348 -8.003 1.00 0.33 H new ATOM 215 N TRP A 789 0.257 -14.669 -6.150 1.00 0.21 N ATOM 216 CA TRP A 789 1.211 -13.633 -5.765 1.00 0.18 C ATOM 217 C TRP A 789 1.933 -13.984 -4.471 1.00 0.18 C ATOM 218 O TRP A 789 1.303 -14.206 -3.437 1.00 0.19 O ATOM 219 CB TRP A 789 0.496 -12.295 -5.592 1.00 0.18 C ATOM 220 CG TRP A 789 0.241 -11.591 -6.886 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.235 -12.144 -8.134 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.038 -10.200 -7.061 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.031 -11.181 -9.073 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.204 -9.977 -8.440 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.164 -9.122 -6.183 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.490 -8.717 -8.959 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.447 -7.873 -6.698 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.608 -7.679 -8.075 1.00 0.30 C ATOM 0 H TRP A 789 -0.671 -14.316 -6.385 1.00 0.21 H new ATOM 0 HA TRP A 789 1.950 -13.560 -6.563 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.453 -12.461 -5.083 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.095 -11.651 -4.948 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.414 -13.187 -8.350 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.091 -11.335 -10.080 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.042 -9.263 -5.119 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.614 -8.564 -10.021 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.546 -7.032 -6.028 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -0.830 -6.690 -8.447 1.00 0.30 H new ATOM 239 N ASN A 790 3.257 -14.000 -4.532 1.00 0.18 N ATOM 240 CA ASN A 790 4.070 -14.285 -3.359 1.00 0.20 C ATOM 241 C ASN A 790 4.415 -12.977 -2.661 1.00 0.18 C ATOM 242 O ASN A 790 4.222 -11.903 -3.230 1.00 0.20 O ATOM 243 CB ASN A 790 5.349 -15.027 -3.755 1.00 0.24 C ATOM 244 CG ASN A 790 5.350 -15.442 -5.213 1.00 0.93 C ATOM 245 OD1 ASN A 790 5.050 -16.589 -5.546 1.00 1.89 O ATOM 246 ND2 ASN A 790 5.689 -14.508 -6.093 1.00 0.77 N ATOM 0 H ASN A 790 3.791 -13.819 -5.382 1.00 0.18 H new ATOM 0 HA ASN A 790 3.506 -14.924 -2.680 1.00 0.20 H new ATOM 0 HB2 ASN A 790 6.211 -14.388 -3.562 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.461 -15.912 -3.128 1.00 0.24 H new ATOM 0 HD21 ASN A 790 5.708 -14.728 -7.089 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.930 -13.570 -5.774 1.00 0.77 H new ATOM 253 N PHE A 791 4.916 -13.059 -1.434 1.00 0.20 N ATOM 254 CA PHE A 791 5.274 -11.858 -0.684 1.00 0.20 C ATOM 255 C PHE A 791 6.202 -10.980 -1.511 1.00 0.16 C ATOM 256 O PHE A 791 6.261 -9.765 -1.320 1.00 0.17 O ATOM 257 CB PHE A 791 5.931 -12.234 0.648 1.00 0.26 C ATOM 258 CG PHE A 791 6.430 -11.054 1.435 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.538 -10.183 2.039 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.789 -10.815 1.567 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.991 -9.096 2.761 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.248 -9.728 2.287 1.00 0.59 C ATOM 263 CZ PHE A 791 7.359 -8.877 2.894 1.00 0.63 C ATOM 0 H PHE A 791 5.083 -13.935 -0.940 1.00 0.20 H new ATOM 0 HA PHE A 791 4.365 -11.296 -0.469 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.212 -12.785 1.254 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.766 -12.908 0.453 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.476 -10.356 1.944 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.497 -11.485 1.102 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.286 -8.419 3.221 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.309 -9.548 2.372 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.720 -8.040 3.473 1.00 0.63 H new ATOM 273 N ASP A 792 6.901 -11.602 -2.453 1.00 0.17 N ATOM 274 CA ASP A 792 7.800 -10.876 -3.333 1.00 0.17 C ATOM 275 C ASP A 792 6.992 -10.054 -4.327 1.00 0.16 C ATOM 276 O ASP A 792 7.059 -8.827 -4.324 1.00 0.19 O ATOM 277 CB ASP A 792 8.712 -11.847 -4.082 1.00 0.22 C ATOM 278 CG ASP A 792 10.089 -11.268 -4.340 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.775 -10.907 -3.360 1.00 1.47 O ATOM 280 OD2 ASP A 792 10.484 -11.175 -5.522 1.00 2.05 O ATOM 0 H ASP A 792 6.861 -12.607 -2.625 1.00 0.17 H new ATOM 0 HA ASP A 792 8.419 -10.210 -2.732 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.810 -12.767 -3.505 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.250 -12.115 -5.032 1.00 0.22 H new ATOM 285 N ASP A 793 6.210 -10.742 -5.161 1.00 0.17 N ATOM 286 CA ASP A 793 5.372 -10.075 -6.149 1.00 0.18 C ATOM 287 C ASP A 793 4.492 -9.030 -5.478 1.00 0.17 C ATOM 288 O ASP A 793 4.101 -8.040 -6.096 1.00 0.24 O ATOM 289 CB ASP A 793 4.503 -11.093 -6.887 1.00 0.19 C ATOM 290 CG ASP A 793 4.435 -10.823 -8.377 1.00 0.56 C ATOM 291 OD1 ASP A 793 4.426 -9.636 -8.765 1.00 1.07 O ATOM 292 OD2 ASP A 793 4.392 -11.798 -9.156 1.00 1.04 O ATOM 0 H ASP A 793 6.142 -11.760 -5.169 1.00 0.17 H new ATOM 0 HA ASP A 793 6.021 -9.579 -6.871 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.900 -12.094 -6.720 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.496 -11.076 -6.471 1.00 0.19 H new ATOM 297 N LEU A 794 4.195 -9.255 -4.202 1.00 0.14 N ATOM 298 CA LEU A 794 3.372 -8.329 -3.436 1.00 0.15 C ATOM 299 C LEU A 794 4.131 -7.037 -3.170 1.00 0.15 C ATOM 300 O LEU A 794 3.653 -5.946 -3.474 1.00 0.17 O ATOM 301 CB LEU A 794 2.953 -8.949 -2.100 1.00 0.19 C ATOM 302 CG LEU A 794 1.927 -8.135 -1.309 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.687 -7.854 -2.151 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.552 -8.851 -0.022 1.00 0.70 C ATOM 0 H LEU A 794 4.512 -10.070 -3.678 1.00 0.14 H new ATOM 0 HA LEU A 794 2.480 -8.113 -4.024 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.542 -9.941 -2.289 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.842 -9.084 -1.484 1.00 0.19 H new ATOM 0 HG LEU A 794 2.382 -7.179 -1.049 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.027 -7.274 -1.566 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.971 -7.290 -3.040 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.229 -8.797 -2.451 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.821 -8.256 0.526 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.123 -9.824 -0.259 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.443 -8.987 0.591 1.00 0.70 H new ATOM 316 N ILE A 795 5.316 -7.176 -2.589 1.00 0.19 N ATOM 317 CA ILE A 795 6.155 -6.034 -2.262 1.00 0.22 C ATOM 318 C ILE A 795 6.509 -5.216 -3.500 1.00 0.21 C ATOM 319 O ILE A 795 6.630 -3.999 -3.421 1.00 0.23 O ATOM 320 CB ILE A 795 7.441 -6.482 -1.544 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.111 -7.002 -0.139 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.457 -5.348 -1.471 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.373 -6.000 0.728 1.00 0.32 C ATOM 0 H ILE A 795 5.719 -8.078 -2.333 1.00 0.19 H new ATOM 0 HA ILE A 795 5.578 -5.398 -1.591 1.00 0.22 H new ATOM 0 HB ILE A 795 7.887 -7.291 -2.122 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.507 -7.905 -0.229 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.038 -7.287 0.360 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.354 -5.696 -0.958 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.717 -5.027 -2.480 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.028 -4.510 -0.923 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.175 -6.440 1.705 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.983 -5.105 0.850 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.429 -5.733 0.253 1.00 0.32 H new ATOM 335 N MET A 796 6.673 -5.881 -4.637 1.00 0.23 N ATOM 336 CA MET A 796 7.012 -5.187 -5.878 1.00 0.26 C ATOM 337 C MET A 796 5.827 -4.378 -6.395 1.00 0.23 C ATOM 338 O MET A 796 5.986 -3.232 -6.818 1.00 0.22 O ATOM 339 CB MET A 796 7.465 -6.183 -6.948 1.00 0.36 C ATOM 340 CG MET A 796 8.379 -7.274 -6.417 1.00 0.46 C ATOM 341 SD MET A 796 9.332 -8.077 -7.720 1.00 0.67 S ATOM 342 CE MET A 796 8.071 -9.092 -8.486 1.00 1.53 C ATOM 0 H MET A 796 6.578 -6.892 -4.728 1.00 0.23 H new ATOM 0 HA MET A 796 7.832 -4.503 -5.660 1.00 0.26 H new ATOM 0 HB2 MET A 796 6.586 -6.644 -7.398 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.982 -5.642 -7.740 1.00 0.36 H new ATOM 0 HG2 MET A 796 9.062 -6.845 -5.684 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.781 -8.022 -5.896 1.00 0.46 H new ATOM 0 HE1 MET A 796 8.379 -9.353 -9.498 1.00 1.53 H new ATOM 0 HE2 MET A 796 7.933 -10.002 -7.903 1.00 1.53 H new ATOM 0 HE3 MET A 796 7.132 -8.539 -8.524 1.00 1.53 H new ATOM 352 N ALA A 797 4.640 -4.974 -6.353 1.00 0.26 N ATOM 353 CA ALA A 797 3.434 -4.297 -6.811 1.00 0.30 C ATOM 354 C ALA A 797 3.160 -3.079 -5.942 1.00 0.28 C ATOM 355 O ALA A 797 2.916 -1.979 -6.441 1.00 0.30 O ATOM 356 CB ALA A 797 2.248 -5.249 -6.789 1.00 0.38 C ATOM 0 H ALA A 797 4.488 -5.922 -6.007 1.00 0.26 H new ATOM 0 HA ALA A 797 3.585 -3.966 -7.839 1.00 0.30 H new ATOM 0 HB1 ALA A 797 1.356 -4.727 -7.134 1.00 0.38 H new ATOM 0 HB2 ALA A 797 2.449 -6.096 -7.445 1.00 0.38 H new ATOM 0 HB3 ALA A 797 2.088 -5.608 -5.772 1.00 0.38 H new ATOM 362 N ILE A 798 3.222 -3.287 -4.633 1.00 0.27 N ATOM 363 CA ILE A 798 3.002 -2.217 -3.674 1.00 0.31 C ATOM 364 C ILE A 798 4.068 -1.141 -3.830 1.00 0.29 C ATOM 365 O ILE A 798 3.761 0.049 -3.890 1.00 0.33 O ATOM 366 CB ILE A 798 3.026 -2.754 -2.232 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.763 -3.570 -1.946 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.167 -1.610 -1.234 1.00 0.42 C ATOM 369 CD1 ILE A 798 1.911 -4.525 -0.780 1.00 0.50 C ATOM 0 H ILE A 798 3.424 -4.193 -4.211 1.00 0.27 H new ATOM 0 HA ILE A 798 2.020 -1.788 -3.872 1.00 0.31 H new ATOM 0 HB ILE A 798 3.891 -3.408 -2.122 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.937 -2.888 -1.744 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.497 -4.137 -2.838 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.182 -2.011 -0.221 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.096 -1.073 -1.425 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.324 -0.927 -1.342 1.00 0.42 H new ATOM 0 HD11 ILE A 798 0.978 -5.070 -0.635 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.715 -5.231 -0.988 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.147 -3.962 0.123 1.00 0.50 H new ATOM 381 N ASN A 799 5.323 -1.574 -3.897 1.00 0.25 N ATOM 382 CA ASN A 799 6.445 -0.658 -4.048 1.00 0.29 C ATOM 383 C ASN A 799 6.276 0.219 -5.283 1.00 0.27 C ATOM 384 O ASN A 799 6.751 1.354 -5.320 1.00 0.36 O ATOM 385 CB ASN A 799 7.760 -1.430 -4.139 1.00 0.30 C ATOM 386 CG ASN A 799 8.875 -0.769 -3.353 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.843 -0.270 -3.927 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.745 -0.765 -2.031 1.00 0.78 N ATOM 0 H ASN A 799 5.588 -2.558 -3.849 1.00 0.25 H new ATOM 0 HA ASN A 799 6.469 -0.016 -3.168 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.609 -2.444 -3.768 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.057 -1.514 -5.184 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.465 -0.336 -1.449 1.00 0.78 H new ATOM 0 HD22 ASN A 799 7.925 -1.190 -1.598 1.00 0.78 H new ATOM 395 N SER A 800 5.594 -0.313 -6.292 1.00 0.22 N ATOM 396 CA SER A 800 5.359 0.424 -7.526 1.00 0.25 C ATOM 397 C SER A 800 4.275 1.476 -7.331 1.00 0.28 C ATOM 398 O SER A 800 4.277 2.515 -7.995 1.00 0.33 O ATOM 399 CB SER A 800 4.957 -0.536 -8.650 1.00 0.28 C ATOM 400 OG SER A 800 6.021 -0.726 -9.564 1.00 0.98 O ATOM 0 H SER A 800 5.195 -1.252 -6.278 1.00 0.22 H new ATOM 0 HA SER A 800 6.285 0.928 -7.801 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.663 -1.496 -8.225 1.00 0.28 H new ATOM 0 HB3 SER A 800 4.088 -0.141 -9.176 1.00 0.28 H new ATOM 0 HG SER A 800 5.739 -1.344 -10.270 1.00 0.98 H new ATOM 406 N LYS A 801 3.347 1.200 -6.420 1.00 0.30 N ATOM 407 CA LYS A 801 2.251 2.123 -6.141 1.00 0.37 C ATOM 408 C LYS A 801 2.579 3.041 -4.966 1.00 0.40 C ATOM 409 O LYS A 801 1.800 3.935 -4.634 1.00 0.49 O ATOM 410 CB LYS A 801 0.967 1.344 -5.851 1.00 0.42 C ATOM 411 CG LYS A 801 -0.262 1.929 -6.527 1.00 0.67 C ATOM 412 CD LYS A 801 -0.598 1.186 -7.811 1.00 1.05 C ATOM 413 CE LYS A 801 -1.367 2.070 -8.779 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.460 2.943 -9.575 1.00 2.25 N ATOM 0 H LYS A 801 3.332 0.346 -5.863 1.00 0.30 H new ATOM 0 HA LYS A 801 2.106 2.745 -7.025 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.096 0.312 -6.178 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.802 1.319 -4.774 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -1.111 1.882 -5.845 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.090 2.982 -6.749 1.00 0.67 H new ATOM 0 HD2 LYS A 801 0.321 0.840 -8.284 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -1.189 0.301 -7.577 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.954 1.446 -9.453 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.072 2.689 -8.224 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -1.023 3.530 -10.223 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 0.082 3.557 -8.934 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 0.196 2.352 -10.125 1.00 2.25 H new ATOM 428 N ILE A 802 3.732 2.821 -4.339 1.00 0.39 N ATOM 429 CA ILE A 802 4.146 3.637 -3.202 1.00 0.45 C ATOM 430 C ILE A 802 5.383 4.465 -3.537 1.00 0.50 C ATOM 431 O ILE A 802 5.649 5.486 -2.901 1.00 0.60 O ATOM 432 CB ILE A 802 4.439 2.775 -1.958 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.652 1.878 -2.196 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.222 1.942 -1.590 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.415 1.545 -0.932 1.00 0.75 C ATOM 0 H ILE A 802 4.393 2.088 -4.598 1.00 0.39 H new ATOM 0 HA ILE A 802 3.314 4.305 -2.980 1.00 0.45 H new ATOM 0 HB ILE A 802 4.666 3.441 -1.125 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.322 0.952 -2.666 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.325 2.370 -2.898 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.446 1.339 -0.710 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.381 2.602 -1.374 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.964 1.287 -2.422 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.263 0.905 -1.177 1.00 0.75 H new ATOM 0 HD12 ILE A 802 6.776 2.465 -0.472 1.00 0.75 H new ATOM 0 HD13 ILE A 802 5.757 1.025 -0.236 1.00 0.75 H new ATOM 447 N SER A 803 6.135 4.020 -4.539 1.00 0.45 N ATOM 448 CA SER A 803 7.344 4.722 -4.956 1.00 0.53 C ATOM 449 C SER A 803 7.816 4.234 -6.321 1.00 0.61 C ATOM 450 O SER A 803 8.574 3.270 -6.418 1.00 1.19 O ATOM 451 CB SER A 803 8.455 4.529 -3.921 1.00 0.60 C ATOM 452 OG SER A 803 9.246 5.699 -3.797 1.00 1.53 O ATOM 0 H SER A 803 5.929 3.178 -5.076 1.00 0.45 H new ATOM 0 HA SER A 803 7.107 5.783 -5.032 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.017 4.279 -2.955 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.086 3.689 -4.212 1.00 0.60 H new ATOM 0 HG SER A 803 9.947 5.550 -3.129 1.00 1.53 H new ATOM 458 N ASN A 804 7.363 4.908 -7.374 1.00 0.84 N ATOM 459 CA ASN A 804 7.744 4.546 -8.733 1.00 0.93 C ATOM 460 C ASN A 804 8.794 5.508 -9.275 1.00 1.53 C ATOM 461 O ASN A 804 9.426 5.243 -10.298 1.00 2.42 O ATOM 462 CB ASN A 804 6.518 4.545 -9.648 1.00 1.40 C ATOM 463 CG ASN A 804 6.608 3.489 -10.731 1.00 2.04 C ATOM 464 OD1 ASN A 804 7.005 3.775 -11.860 1.00 2.43 O ATOM 465 ND2 ASN A 804 6.241 2.258 -10.390 1.00 2.83 N ATOM 0 H ASN A 804 6.732 5.707 -7.311 1.00 0.84 H new ATOM 0 HA ASN A 804 8.170 3.543 -8.709 1.00 0.93 H new ATOM 0 HB2 ASN A 804 5.622 4.374 -9.051 1.00 1.40 H new ATOM 0 HB3 ASN A 804 6.411 5.527 -10.109 1.00 1.40 H new ATOM 0 HD21 ASN A 804 6.282 1.505 -11.077 1.00 2.83 H new ATOM 0 HD22 ASN A 804 5.918 2.066 -9.442 1.00 2.83 H new ATOM 472 N THR A 805 8.979 6.626 -8.580 1.00 1.86 N ATOM 473 CA THR A 805 9.955 7.630 -8.989 1.00 2.72 C ATOM 474 C THR A 805 11.078 7.748 -7.965 1.00 3.19 C ATOM 475 O THR A 805 10.921 7.351 -6.810 1.00 3.83 O ATOM 476 CB THR A 805 9.298 9.010 -9.177 1.00 3.49 C ATOM 477 OG1 THR A 805 7.876 8.900 -9.038 1.00 3.73 O ATOM 478 CG2 THR A 805 9.635 9.588 -10.543 1.00 4.20 C ATOM 0 H THR A 805 8.465 6.860 -7.730 1.00 1.86 H new ATOM 0 HA THR A 805 10.368 7.302 -9.943 1.00 2.72 H new ATOM 0 HB THR A 805 9.687 9.680 -8.410 1.00 3.49 H new ATOM 0 HG1 THR A 805 7.466 9.782 -9.157 1.00 3.73 H new ATOM 0 HG21 THR A 805 9.160 10.563 -10.653 1.00 4.20 H new ATOM 0 HG22 THR A 805 10.715 9.698 -10.635 1.00 4.20 H new ATOM 0 HG23 THR A 805 9.271 8.917 -11.322 1.00 4.20 H new ATOM 486 N HIS A 806 12.210 8.296 -8.395 1.00 3.41 N ATOM 487 CA HIS A 806 13.359 8.465 -7.514 1.00 4.17 C ATOM 488 C HIS A 806 13.592 9.940 -7.202 1.00 4.02 C ATOM 489 O HIS A 806 13.060 10.819 -7.880 1.00 4.30 O ATOM 490 CB HIS A 806 14.613 7.860 -8.150 1.00 5.13 C ATOM 491 CG HIS A 806 14.948 8.443 -9.488 1.00 6.08 C ATOM 492 ND1 HIS A 806 15.929 9.395 -9.671 1.00 6.75 N ATOM 493 CD2 HIS A 806 14.428 8.202 -10.716 1.00 6.77 C ATOM 494 CE1 HIS A 806 15.997 9.716 -10.951 1.00 7.67 C ATOM 495 NE2 HIS A 806 15.096 9.007 -11.605 1.00 7.69 N ATOM 0 H HIS A 806 12.356 8.630 -9.348 1.00 3.41 H new ATOM 0 HA HIS A 806 13.149 7.943 -6.580 1.00 4.17 H new ATOM 0 HB2 HIS A 806 15.458 8.007 -7.477 1.00 5.13 H new ATOM 0 HB3 HIS A 806 14.473 6.784 -8.257 1.00 5.13 H new ATOM 0 HD2 HIS A 806 13.636 7.507 -10.951 1.00 6.77 H new ATOM 0 HE1 HIS A 806 16.674 10.435 -11.387 1.00 7.67 H new ATOM 0 HE2 HIS A 806 14.924 9.050 -12.609 1.00 7.69 H new ATOM 504 N ASN A 807 14.391 10.201 -6.169 1.00 4.10 N ATOM 505 CA ASN A 807 14.699 11.567 -5.757 1.00 4.41 C ATOM 506 C ASN A 807 13.420 12.355 -5.485 1.00 4.33 C ATOM 507 O ASN A 807 13.068 13.267 -6.234 1.00 4.37 O ATOM 508 CB ASN A 807 15.532 12.274 -6.829 1.00 4.84 C ATOM 509 CG ASN A 807 16.493 13.288 -6.239 1.00 5.63 C ATOM 510 OD1 ASN A 807 16.222 13.883 -5.196 1.00 6.02 O ATOM 511 ND2 ASN A 807 17.623 13.492 -6.905 1.00 6.22 N ATOM 0 H ASN A 807 14.838 9.481 -5.601 1.00 4.10 H new ATOM 0 HA ASN A 807 15.278 11.519 -4.835 1.00 4.41 H new ATOM 0 HB2 ASN A 807 16.094 11.532 -7.396 1.00 4.84 H new ATOM 0 HB3 ASN A 807 14.866 12.775 -7.531 1.00 4.84 H new ATOM 0 HD21 ASN A 807 18.307 14.164 -6.556 1.00 6.22 H new ATOM 0 HD22 ASN A 807 17.808 12.977 -7.766 1.00 6.22 H new ATOM 518 N ASN A 808 12.731 11.998 -4.405 1.00 4.61 N ATOM 519 CA ASN A 808 11.493 12.670 -4.030 1.00 4.89 C ATOM 520 C ASN A 808 11.620 13.312 -2.652 1.00 4.54 C ATOM 521 O ASN A 808 11.600 14.536 -2.523 1.00 4.85 O ATOM 522 CB ASN A 808 10.328 11.679 -4.039 1.00 5.45 C ATOM 523 CG ASN A 808 10.279 10.856 -5.310 1.00 6.15 C ATOM 524 OD1 ASN A 808 10.393 9.630 -5.275 1.00 6.37 O ATOM 525 ND2 ASN A 808 10.107 11.527 -6.444 1.00 6.83 N ATOM 0 H ASN A 808 13.010 11.246 -3.774 1.00 4.61 H new ATOM 0 HA ASN A 808 11.298 13.455 -4.760 1.00 4.89 H new ATOM 0 HB2 ASN A 808 10.415 11.012 -3.181 1.00 5.45 H new ATOM 0 HB3 ASN A 808 9.391 12.224 -3.926 1.00 5.45 H new ATOM 0 HD21 ASN A 808 10.065 11.026 -7.332 1.00 6.83 H new ATOM 0 HD22 ASN A 808 10.017 12.543 -6.427 1.00 6.83 H new ATOM 532 N ASN A 809 11.751 12.477 -1.625 1.00 4.24 N ATOM 533 CA ASN A 809 11.883 12.961 -0.255 1.00 4.01 C ATOM 534 C ASN A 809 12.328 11.840 0.678 1.00 3.02 C ATOM 535 O ASN A 809 13.170 12.045 1.553 1.00 3.13 O ATOM 536 CB ASN A 809 10.557 13.548 0.233 1.00 4.74 C ATOM 537 CG ASN A 809 10.728 14.910 0.876 1.00 5.63 C ATOM 538 OD1 ASN A 809 11.771 15.550 0.738 1.00 5.91 O ATOM 539 ND2 ASN A 809 9.700 15.361 1.587 1.00 6.41 N ATOM 0 H ASN A 809 11.769 11.461 -1.716 1.00 4.24 H new ATOM 0 HA ASN A 809 12.643 13.742 -0.246 1.00 4.01 H new ATOM 0 HB2 ASN A 809 9.868 13.630 -0.608 1.00 4.74 H new ATOM 0 HB3 ASN A 809 10.103 12.865 0.951 1.00 4.74 H new ATOM 0 HD21 ASN A 809 9.756 16.271 2.045 1.00 6.41 H new ATOM 0 HD22 ASN A 809 8.854 14.797 1.675 1.00 6.41 H new ATOM 546 N ILE A 810 11.756 10.654 0.485 1.00 2.60 N ATOM 547 CA ILE A 810 12.094 9.500 1.312 1.00 2.14 C ATOM 548 C ILE A 810 12.407 8.280 0.453 1.00 1.67 C ATOM 549 O ILE A 810 12.321 8.333 -0.774 1.00 2.29 O ATOM 550 CB ILE A 810 10.951 9.150 2.283 1.00 3.00 C ATOM 551 CG1 ILE A 810 9.626 9.030 1.528 1.00 3.79 C ATOM 552 CG2 ILE A 810 10.851 10.197 3.380 1.00 3.71 C ATOM 553 CD1 ILE A 810 8.664 8.042 2.152 1.00 4.78 C ATOM 0 H ILE A 810 11.058 10.468 -0.235 1.00 2.60 H new ATOM 0 HA ILE A 810 12.979 9.773 1.887 1.00 2.14 H new ATOM 0 HB ILE A 810 11.169 8.187 2.745 1.00 3.00 H new ATOM 0 HG12 ILE A 810 9.151 10.010 1.485 1.00 3.79 H new ATOM 0 HG13 ILE A 810 9.828 8.729 0.500 1.00 3.79 H new ATOM 0 HG21 ILE A 810 10.039 9.936 4.059 1.00 3.71 H new ATOM 0 HG22 ILE A 810 11.789 10.234 3.934 1.00 3.71 H new ATOM 0 HG23 ILE A 810 10.653 11.172 2.935 1.00 3.71 H new ATOM 0 HD11 ILE A 810 7.746 8.008 1.565 1.00 4.78 H new ATOM 0 HD12 ILE A 810 9.120 7.052 2.170 1.00 4.78 H new ATOM 0 HD13 ILE A 810 8.432 8.354 3.170 1.00 4.78 H new ATOM 565 N SER A 811 12.773 7.182 1.109 1.00 1.31 N ATOM 566 CA SER A 811 13.101 5.945 0.411 1.00 0.97 C ATOM 567 C SER A 811 11.927 4.966 0.456 1.00 0.83 C ATOM 568 O SER A 811 11.096 5.028 1.361 1.00 0.94 O ATOM 569 CB SER A 811 14.343 5.302 1.032 1.00 1.31 C ATOM 570 OG SER A 811 15.457 5.399 0.161 1.00 1.80 O ATOM 0 H SER A 811 12.850 7.125 2.125 1.00 1.31 H new ATOM 0 HA SER A 811 13.308 6.187 -0.632 1.00 0.97 H new ATOM 0 HB2 SER A 811 14.574 5.790 1.979 1.00 1.31 H new ATOM 0 HB3 SER A 811 14.141 4.254 1.254 1.00 1.31 H new ATOM 0 HG SER A 811 16.238 4.983 0.581 1.00 1.80 H new ATOM 576 N PRO A 812 11.844 4.045 -0.526 1.00 0.70 N ATOM 577 CA PRO A 812 10.764 3.053 -0.591 1.00 0.66 C ATOM 578 C PRO A 812 10.584 2.299 0.724 1.00 0.62 C ATOM 579 O PRO A 812 11.510 2.205 1.529 1.00 0.73 O ATOM 580 CB PRO A 812 11.225 2.099 -1.693 1.00 0.70 C ATOM 581 CG PRO A 812 12.109 2.923 -2.563 1.00 0.95 C ATOM 582 CD PRO A 812 12.792 3.902 -1.648 1.00 0.77 C ATOM 0 HA PRO A 812 9.797 3.518 -0.785 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.762 1.246 -1.279 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.378 1.702 -2.252 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.837 2.300 -3.082 1.00 0.95 H new ATOM 0 HG3 PRO A 812 11.531 3.441 -3.328 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.759 3.529 -1.311 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.973 4.855 -2.144 1.00 0.77 H new ATOM 590 N ILE A 813 9.384 1.765 0.934 1.00 0.62 N ATOM 591 CA ILE A 813 9.077 1.020 2.150 1.00 0.61 C ATOM 592 C ILE A 813 8.966 -0.474 1.865 1.00 0.59 C ATOM 593 O ILE A 813 8.565 -0.879 0.775 1.00 0.75 O ATOM 594 CB ILE A 813 7.764 1.507 2.795 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.593 3.018 2.598 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.735 1.151 4.273 1.00 1.05 C ATOM 597 CD1 ILE A 813 8.700 3.847 3.216 1.00 1.94 C ATOM 0 H ILE A 813 8.608 1.835 0.276 1.00 0.62 H new ATOM 0 HA ILE A 813 9.899 1.196 2.843 1.00 0.61 H new ATOM 0 HB ILE A 813 6.931 1.004 2.304 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.545 3.232 1.530 1.00 1.22 H new ATOM 0 HG13 ILE A 813 6.639 3.325 3.028 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.802 1.502 4.713 1.00 1.05 H new ATOM 0 HG22 ILE A 813 7.807 0.069 4.388 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.576 1.626 4.778 1.00 1.05 H new ATOM 0 HD11 ILE A 813 8.508 4.904 3.034 1.00 1.94 H new ATOM 0 HD12 ILE A 813 8.735 3.664 4.290 1.00 1.94 H new ATOM 0 HD13 ILE A 813 9.655 3.570 2.769 1.00 1.94 H new ATOM 609 N THR A 814 9.328 -1.290 2.852 1.00 0.49 N ATOM 610 CA THR A 814 9.270 -2.738 2.703 1.00 0.49 C ATOM 611 C THR A 814 8.263 -3.356 3.667 1.00 0.47 C ATOM 612 O THR A 814 7.445 -4.189 3.276 1.00 0.54 O ATOM 613 CB THR A 814 10.649 -3.381 2.940 1.00 0.53 C ATOM 614 OG1 THR A 814 11.104 -3.094 4.268 1.00 1.16 O ATOM 615 CG2 THR A 814 11.665 -2.866 1.931 1.00 1.07 C ATOM 0 H THR A 814 9.664 -0.972 3.761 1.00 0.49 H new ATOM 0 HA THR A 814 8.953 -2.935 1.679 1.00 0.49 H new ATOM 0 HB THR A 814 10.548 -4.459 2.816 1.00 0.53 H new ATOM 0 HG1 THR A 814 11.981 -3.508 4.410 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.632 -3.334 2.117 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.332 -3.110 0.922 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.760 -1.785 2.030 1.00 1.07 H new ATOM 623 N LYS A 815 8.329 -2.945 4.931 1.00 0.42 N ATOM 624 CA LYS A 815 7.424 -3.461 5.951 1.00 0.42 C ATOM 625 C LYS A 815 6.150 -2.628 6.026 1.00 0.40 C ATOM 626 O LYS A 815 6.194 -1.401 5.941 1.00 0.48 O ATOM 627 CB LYS A 815 8.116 -3.483 7.314 1.00 0.49 C ATOM 628 CG LYS A 815 9.097 -4.631 7.479 1.00 0.89 C ATOM 629 CD LYS A 815 8.388 -5.922 7.856 1.00 1.30 C ATOM 630 CE LYS A 815 8.776 -7.061 6.928 1.00 1.97 C ATOM 631 NZ LYS A 815 9.501 -8.143 7.649 1.00 2.69 N ATOM 0 H LYS A 815 9.000 -2.256 5.272 1.00 0.42 H new ATOM 0 HA LYS A 815 7.151 -4.479 5.674 1.00 0.42 H new ATOM 0 HB2 LYS A 815 8.644 -2.541 7.459 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.359 -3.548 8.096 1.00 0.49 H new ATOM 0 HG2 LYS A 815 9.648 -4.776 6.550 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.828 -4.379 8.247 1.00 0.89 H new ATOM 0 HD2 LYS A 815 8.636 -6.188 8.884 1.00 1.30 H new ATOM 0 HD3 LYS A 815 7.309 -5.771 7.817 1.00 1.30 H new ATOM 0 HE2 LYS A 815 7.880 -7.472 6.463 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.404 -6.676 6.124 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 9.748 -8.901 6.981 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 10.370 -7.757 8.071 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 8.893 -8.528 8.400 1.00 2.69 H new ATOM 645 N ILE A 816 5.016 -3.305 6.184 1.00 0.36 N ATOM 646 CA ILE A 816 3.727 -2.629 6.270 1.00 0.38 C ATOM 647 C ILE A 816 2.744 -3.424 7.123 1.00 0.33 C ATOM 648 O ILE A 816 2.997 -4.580 7.466 1.00 0.37 O ATOM 649 CB ILE A 816 3.108 -2.407 4.875 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.585 -3.484 3.897 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.461 -1.022 4.355 1.00 0.84 C ATOM 652 CD1 ILE A 816 2.948 -4.838 4.124 1.00 0.53 C ATOM 0 H ILE A 816 4.965 -4.321 6.255 1.00 0.36 H new ATOM 0 HA ILE A 816 3.913 -1.661 6.735 1.00 0.38 H new ATOM 0 HB ILE A 816 2.024 -2.480 4.962 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.371 -3.158 2.879 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.667 -3.583 3.979 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.017 -0.879 3.370 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.075 -0.267 5.040 1.00 0.84 H new ATOM 0 HG23 ILE A 816 4.544 -0.926 4.283 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.335 -5.549 3.394 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.183 -5.187 5.130 1.00 0.53 H new ATOM 0 HD13 ILE A 816 1.867 -4.755 4.012 1.00 0.53 H new ATOM 664 N LYS A 817 1.622 -2.797 7.460 1.00 0.32 N ATOM 665 CA LYS A 817 0.595 -3.440 8.271 1.00 0.31 C ATOM 666 C LYS A 817 -0.693 -3.610 7.472 1.00 0.32 C ATOM 667 O LYS A 817 -1.134 -2.686 6.790 1.00 0.59 O ATOM 668 CB LYS A 817 0.322 -2.616 9.531 1.00 0.37 C ATOM 669 CG LYS A 817 1.448 -2.672 10.547 1.00 0.39 C ATOM 670 CD LYS A 817 1.049 -3.481 11.770 1.00 0.38 C ATOM 671 CE LYS A 817 1.864 -3.084 12.992 1.00 0.50 C ATOM 672 NZ LYS A 817 1.132 -3.354 14.260 1.00 0.85 N ATOM 0 H LYS A 817 1.400 -1.841 7.183 1.00 0.32 H new ATOM 0 HA LYS A 817 0.957 -4.426 8.562 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.151 -1.578 9.247 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.596 -2.974 9.998 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.333 -3.114 10.089 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.718 -1.660 10.850 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.011 -3.333 11.975 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.190 -4.543 11.567 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.806 -3.632 12.993 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.111 -2.024 12.934 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.778 -3.792 14.947 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.768 -2.460 14.648 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.338 -3.999 14.072 1.00 0.85 H new ATOM 686 N TYR A 818 -1.291 -4.794 7.558 1.00 0.23 N ATOM 687 CA TYR A 818 -2.529 -5.069 6.837 1.00 0.22 C ATOM 688 C TYR A 818 -3.695 -5.272 7.798 1.00 0.23 C ATOM 689 O TYR A 818 -3.503 -5.399 9.005 1.00 0.31 O ATOM 690 CB TYR A 818 -2.369 -6.293 5.929 1.00 0.26 C ATOM 691 CG TYR A 818 -2.267 -7.611 6.667 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.185 -7.886 7.493 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.250 -8.584 6.527 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.085 -9.093 8.159 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.156 -9.793 7.187 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.072 -10.044 8.001 1.00 0.56 C ATOM 697 OH TYR A 818 -1.975 -11.248 8.661 1.00 0.71 O ATOM 0 H TYR A 818 -0.942 -5.573 8.116 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.749 -4.201 6.216 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.218 -6.337 5.247 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.476 -6.163 5.318 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.409 -7.145 7.617 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.101 -8.391 5.891 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.238 -9.291 8.800 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.928 -10.539 7.066 1.00 0.51 H new ATOM 0 HH TYR A 818 -2.687 -11.312 9.332 1.00 0.71 H new ATOM 707 N GLN A 819 -4.905 -5.292 7.249 1.00 0.27 N ATOM 708 CA GLN A 819 -6.109 -5.470 8.043 1.00 0.34 C ATOM 709 C GLN A 819 -6.508 -6.937 8.096 1.00 0.40 C ATOM 710 O GLN A 819 -7.013 -7.492 7.119 1.00 0.45 O ATOM 711 CB GLN A 819 -7.252 -4.633 7.463 1.00 0.44 C ATOM 712 CG GLN A 819 -8.594 -4.881 8.131 1.00 0.56 C ATOM 713 CD GLN A 819 -9.225 -3.609 8.667 1.00 1.14 C ATOM 714 OE1 GLN A 819 -8.575 -2.567 8.745 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.496 -3.691 9.041 1.00 1.44 N ATOM 0 H GLN A 819 -5.075 -5.186 6.249 1.00 0.27 H new ATOM 0 HA GLN A 819 -5.903 -5.133 9.059 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -7.000 -3.577 7.556 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.342 -4.846 6.398 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -9.272 -5.344 7.414 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.463 -5.589 8.949 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.996 -4.576 8.958 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -10.973 -2.869 9.411 1.00 1.44 H new ATOM 724 N ASP A 820 -6.277 -7.557 9.244 1.00 0.43 N ATOM 725 CA ASP A 820 -6.612 -8.964 9.433 1.00 0.53 C ATOM 726 C ASP A 820 -8.106 -9.123 9.702 1.00 0.62 C ATOM 727 O ASP A 820 -8.810 -8.136 9.919 1.00 0.65 O ATOM 728 CB ASP A 820 -5.803 -9.552 10.590 1.00 0.58 C ATOM 729 CG ASP A 820 -5.340 -10.970 10.314 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.942 -11.635 9.444 1.00 1.80 O ATOM 731 OD2 ASP A 820 -4.374 -11.416 10.968 1.00 1.34 O ATOM 0 H ASP A 820 -5.859 -7.109 10.060 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.362 -9.505 8.520 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -4.935 -8.920 10.780 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.410 -9.541 11.496 1.00 0.58 H new ATOM 736 N GLU A 821 -8.589 -10.362 9.683 1.00 0.71 N ATOM 737 CA GLU A 821 -10.002 -10.630 9.923 1.00 0.82 C ATOM 738 C GLU A 821 -10.310 -10.656 11.416 1.00 0.83 C ATOM 739 O GLU A 821 -10.896 -11.610 11.930 1.00 0.97 O ATOM 740 CB GLU A 821 -10.423 -11.949 9.277 1.00 0.96 C ATOM 741 CG GLU A 821 -11.929 -12.100 9.175 1.00 1.10 C ATOM 742 CD GLU A 821 -12.424 -13.414 9.746 1.00 1.30 C ATOM 743 OE1 GLU A 821 -12.480 -14.408 8.992 1.00 1.62 O ATOM 744 OE2 GLU A 821 -12.758 -13.449 10.950 1.00 1.53 O ATOM 0 H GLU A 821 -8.025 -11.193 9.505 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.573 -9.821 9.468 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -9.988 -12.015 8.280 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.018 -12.778 9.857 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -12.409 -11.275 9.702 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -12.228 -12.027 8.129 1.00 1.10 H new ATOM 751 N ASP A 822 -9.911 -9.598 12.102 1.00 0.79 N ATOM 752 CA ASP A 822 -10.139 -9.476 13.537 1.00 0.81 C ATOM 753 C ASP A 822 -10.506 -8.042 13.898 1.00 0.73 C ATOM 754 O ASP A 822 -10.702 -7.714 15.068 1.00 0.78 O ATOM 755 CB ASP A 822 -8.894 -9.908 14.313 1.00 0.86 C ATOM 756 CG ASP A 822 -8.513 -11.349 14.037 1.00 1.20 C ATOM 757 OD1 ASP A 822 -9.294 -12.252 14.406 1.00 1.65 O ATOM 758 OD2 ASP A 822 -7.432 -11.576 13.453 1.00 1.56 O ATOM 0 H ASP A 822 -9.424 -8.804 11.687 1.00 0.79 H new ATOM 0 HA ASP A 822 -10.968 -10.129 13.809 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.060 -9.257 14.049 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.072 -9.780 15.381 1.00 0.86 H new ATOM 763 N GLY A 823 -10.584 -7.189 12.881 1.00 0.68 N ATOM 764 CA GLY A 823 -10.913 -5.794 13.103 1.00 0.70 C ATOM 765 C GLY A 823 -9.751 -5.025 13.697 1.00 0.67 C ATOM 766 O GLY A 823 -9.928 -4.244 14.633 1.00 0.88 O ATOM 0 H GLY A 823 -10.425 -7.441 11.905 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.206 -5.336 12.158 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.772 -5.726 13.770 1.00 0.70 H new ATOM 770 N ASP A 824 -8.559 -5.252 13.151 1.00 0.54 N ATOM 771 CA ASP A 824 -7.356 -4.588 13.622 1.00 0.57 C ATOM 772 C ASP A 824 -6.171 -4.926 12.724 1.00 0.55 C ATOM 773 O ASP A 824 -6.034 -6.056 12.245 1.00 0.93 O ATOM 774 CB ASP A 824 -7.048 -4.997 15.064 1.00 0.65 C ATOM 775 CG ASP A 824 -6.793 -3.804 15.964 1.00 1.15 C ATOM 776 OD1 ASP A 824 -7.775 -3.186 16.425 1.00 1.86 O ATOM 777 OD2 ASP A 824 -5.608 -3.486 16.207 1.00 1.48 O ATOM 0 H ASP A 824 -8.405 -5.897 12.376 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.527 -3.512 13.589 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -7.883 -5.575 15.460 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.175 -5.649 15.075 1.00 0.65 H new ATOM 782 N PHE A 825 -5.319 -3.938 12.505 1.00 0.42 N ATOM 783 CA PHE A 825 -4.136 -4.112 11.671 1.00 0.37 C ATOM 784 C PHE A 825 -3.098 -4.966 12.390 1.00 0.38 C ATOM 785 O PHE A 825 -2.982 -4.917 13.614 1.00 0.44 O ATOM 786 CB PHE A 825 -3.534 -2.754 11.312 1.00 0.39 C ATOM 787 CG PHE A 825 -4.331 -1.997 10.289 1.00 0.41 C ATOM 788 CD1 PHE A 825 -4.151 -2.236 8.935 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.262 -1.048 10.680 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.884 -1.541 7.991 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.997 -0.350 9.741 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.808 -0.596 8.395 1.00 0.52 C ATOM 0 H PHE A 825 -5.424 -3.001 12.895 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.435 -4.620 10.754 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.453 -2.151 12.216 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.522 -2.902 10.936 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.430 -2.973 8.614 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.415 -0.852 11.731 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.735 -1.736 6.939 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.719 0.388 10.059 1.00 0.64 H new ATOM 0 HZ PHE A 825 -6.381 -0.051 7.660 1.00 0.52 H new ATOM 802 N VAL A 826 -2.343 -5.745 11.623 1.00 0.38 N ATOM 803 CA VAL A 826 -1.316 -6.602 12.192 1.00 0.45 C ATOM 804 C VAL A 826 -0.047 -6.552 11.353 1.00 0.36 C ATOM 805 O VAL A 826 0.000 -5.875 10.325 1.00 0.31 O ATOM 806 CB VAL A 826 -1.802 -8.060 12.303 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.677 -8.238 13.534 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.555 -8.467 11.048 1.00 0.79 C ATOM 0 H VAL A 826 -2.425 -5.799 10.608 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.100 -6.230 13.193 1.00 0.45 H new ATOM 0 HB VAL A 826 -0.931 -8.707 12.405 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.011 -9.274 13.596 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.104 -7.987 14.427 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.544 -7.581 13.462 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -2.891 -9.500 11.144 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.419 -7.815 10.914 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -1.897 -8.378 10.184 1.00 0.79 H new ATOM 818 N VAL A 827 0.983 -7.264 11.797 1.00 0.37 N ATOM 819 CA VAL A 827 2.253 -7.285 11.079 1.00 0.33 C ATOM 820 C VAL A 827 2.379 -8.529 10.213 1.00 0.30 C ATOM 821 O VAL A 827 2.367 -9.654 10.713 1.00 0.35 O ATOM 822 CB VAL A 827 3.458 -7.217 12.041 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.071 -5.826 12.028 1.00 0.52 C ATOM 824 CG2 VAL A 827 3.054 -7.616 13.454 1.00 0.56 C ATOM 0 H VAL A 827 0.965 -7.831 12.645 1.00 0.37 H new ATOM 0 HA VAL A 827 2.261 -6.400 10.443 1.00 0.33 H new ATOM 0 HB VAL A 827 4.208 -7.928 11.695 1.00 0.41 H new ATOM 0 HG11 VAL A 827 4.919 -5.796 12.712 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.409 -5.587 11.020 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.325 -5.097 12.343 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.922 -7.559 14.110 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.280 -6.939 13.816 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.670 -8.636 13.448 1.00 0.56 H new ATOM 834 N LEU A 828 2.500 -8.314 8.907 1.00 0.26 N ATOM 835 CA LEU A 828 2.632 -9.412 7.956 1.00 0.28 C ATOM 836 C LEU A 828 4.062 -9.936 7.932 1.00 0.46 C ATOM 837 O LEU A 828 4.986 -9.234 7.521 1.00 0.60 O ATOM 838 CB LEU A 828 2.217 -8.953 6.556 1.00 0.31 C ATOM 839 CG LEU A 828 2.226 -10.047 5.487 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.831 -10.627 5.306 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.751 -9.498 4.170 1.00 0.81 C ATOM 0 H LEU A 828 2.509 -7.387 8.482 1.00 0.26 H new ATOM 0 HA LEU A 828 1.973 -10.220 8.274 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.214 -8.529 6.612 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.885 -8.152 6.240 1.00 0.31 H new ATOM 0 HG LEU A 828 2.890 -10.846 5.816 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.856 -11.404 4.542 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.490 -11.056 6.248 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.146 -9.837 4.998 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.751 -10.289 3.420 1.00 0.81 H new ATOM 0 HD22 LEU A 828 2.112 -8.681 3.836 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.767 -9.130 4.309 1.00 0.81 H new ATOM 853 N GLY A 829 4.239 -11.176 8.382 1.00 0.58 N ATOM 854 CA GLY A 829 5.559 -11.779 8.412 1.00 0.81 C ATOM 855 C GLY A 829 6.214 -11.824 7.046 1.00 0.49 C ATOM 856 O GLY A 829 7.161 -11.083 6.782 1.00 0.45 O ATOM 0 H GLY A 829 3.489 -11.775 8.727 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.195 -11.218 9.097 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.482 -12.792 8.807 1.00 0.81 H new ATOM 860 N SER A 830 5.709 -12.695 6.176 1.00 0.35 N ATOM 861 CA SER A 830 6.254 -12.837 4.831 1.00 0.23 C ATOM 862 C SER A 830 5.360 -13.736 3.977 1.00 0.19 C ATOM 863 O SER A 830 4.136 -13.615 4.013 1.00 0.20 O ATOM 864 CB SER A 830 7.676 -13.401 4.894 1.00 0.45 C ATOM 865 OG SER A 830 7.707 -14.625 5.606 1.00 1.31 O ATOM 0 H SER A 830 4.923 -13.313 6.380 1.00 0.35 H new ATOM 0 HA SER A 830 6.288 -11.852 4.367 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.055 -13.555 3.884 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.336 -12.679 5.376 1.00 0.45 H new ATOM 0 HG SER A 830 8.625 -14.966 5.631 1.00 1.31 H new ATOM 871 N ASP A 831 5.975 -14.638 3.212 1.00 0.18 N ATOM 872 CA ASP A 831 5.230 -15.553 2.355 1.00 0.18 C ATOM 873 C ASP A 831 4.247 -16.387 3.171 1.00 0.17 C ATOM 874 O ASP A 831 3.283 -16.930 2.632 1.00 0.22 O ATOM 875 CB ASP A 831 6.191 -16.473 1.600 1.00 0.23 C ATOM 876 CG ASP A 831 7.495 -15.785 1.249 1.00 1.33 C ATOM 877 OD1 ASP A 831 7.539 -15.086 0.215 1.00 2.20 O ATOM 878 OD2 ASP A 831 8.474 -15.945 2.008 1.00 1.77 O ATOM 0 H ASP A 831 6.988 -14.753 3.170 1.00 0.18 H new ATOM 0 HA ASP A 831 4.665 -14.959 1.637 1.00 0.18 H new ATOM 0 HB2 ASP A 831 6.400 -17.353 2.208 1.00 0.23 H new ATOM 0 HB3 ASP A 831 5.711 -16.824 0.686 1.00 0.23 H new ATOM 883 N GLU A 832 4.498 -16.485 4.473 1.00 0.18 N ATOM 884 CA GLU A 832 3.634 -17.253 5.362 1.00 0.21 C ATOM 885 C GLU A 832 2.311 -16.532 5.593 1.00 0.19 C ATOM 886 O GLU A 832 1.262 -16.987 5.140 1.00 0.19 O ATOM 887 CB GLU A 832 4.335 -17.504 6.698 1.00 0.26 C ATOM 888 CG GLU A 832 4.759 -18.949 6.900 1.00 0.92 C ATOM 889 CD GLU A 832 5.966 -19.324 6.060 1.00 1.41 C ATOM 890 OE1 GLU A 832 7.102 -19.044 6.497 1.00 1.63 O ATOM 891 OE2 GLU A 832 5.774 -19.896 4.968 1.00 2.21 O ATOM 0 H GLU A 832 5.292 -16.042 4.935 1.00 0.18 H new ATOM 0 HA GLU A 832 3.424 -18.211 4.886 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.215 -16.863 6.763 1.00 0.26 H new ATOM 0 HB3 GLU A 832 3.668 -17.213 7.509 1.00 0.26 H new ATOM 0 HG2 GLU A 832 4.988 -19.113 7.953 1.00 0.92 H new ATOM 0 HG3 GLU A 832 3.927 -19.607 6.649 1.00 0.92 H new ATOM 898 N ASP A 833 2.368 -15.404 6.294 1.00 0.19 N ATOM 899 CA ASP A 833 1.171 -14.620 6.578 1.00 0.19 C ATOM 900 C ASP A 833 0.517 -14.147 5.289 1.00 0.18 C ATOM 901 O ASP A 833 -0.626 -13.697 5.293 1.00 0.18 O ATOM 902 CB ASP A 833 1.513 -13.420 7.465 1.00 0.22 C ATOM 903 CG ASP A 833 1.440 -13.754 8.942 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.300 -14.522 9.420 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.521 -13.247 9.620 1.00 0.73 O ATOM 0 H ASP A 833 3.229 -15.013 6.675 1.00 0.19 H new ATOM 0 HA ASP A 833 0.466 -15.260 7.109 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.516 -13.068 7.224 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.827 -12.602 7.246 1.00 0.22 H new ATOM 910 N TRP A 834 1.242 -14.263 4.181 1.00 0.17 N ATOM 911 CA TRP A 834 0.713 -13.857 2.887 1.00 0.17 C ATOM 912 C TRP A 834 -0.074 -14.999 2.262 1.00 0.17 C ATOM 913 O TRP A 834 -1.138 -14.790 1.684 1.00 0.19 O ATOM 914 CB TRP A 834 1.844 -13.414 1.954 1.00 0.19 C ATOM 915 CG TRP A 834 1.374 -12.842 0.642 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.026 -12.923 -0.552 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.166 -12.104 0.389 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.311 -12.278 -1.531 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.163 -11.772 -0.981 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.911 -11.693 1.181 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.871 -11.050 -1.570 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.938 -10.977 0.593 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.911 -10.663 -0.771 1.00 0.26 C ATOM 0 H TRP A 834 2.192 -14.633 4.154 1.00 0.17 H new ATOM 0 HA TRP A 834 0.044 -13.010 3.037 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.451 -12.668 2.466 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.491 -14.268 1.754 1.00 0.19 H new ATOM 0 HD1 TRP A 834 2.971 -13.423 -0.706 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.589 -12.190 -2.508 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.940 -11.931 2.234 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.853 -10.804 -2.621 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.774 -10.655 1.196 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.729 -10.104 -1.201 1.00 0.26 H new ATOM 934 N ASN A 835 0.450 -16.213 2.404 1.00 0.18 N ATOM 935 CA ASN A 835 -0.212 -17.397 1.871 1.00 0.20 C ATOM 936 C ASN A 835 -1.490 -17.673 2.654 1.00 0.20 C ATOM 937 O ASN A 835 -2.505 -18.082 2.092 1.00 0.23 O ATOM 938 CB ASN A 835 0.727 -18.606 1.942 1.00 0.23 C ATOM 939 CG ASN A 835 0.196 -19.718 2.825 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.596 -20.552 2.385 1.00 1.90 O ATOM 941 ND2 ASN A 835 0.629 -19.737 4.080 1.00 1.98 N ATOM 0 H ASN A 835 1.330 -16.401 2.883 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.470 -17.219 0.827 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.888 -18.994 0.936 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.698 -18.283 2.318 1.00 0.23 H new ATOM 0 HD21 ASN A 835 0.305 -20.462 4.720 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.285 -19.027 4.404 1.00 1.98 H new ATOM 948 N VAL A 836 -1.425 -17.428 3.958 1.00 0.20 N ATOM 949 CA VAL A 836 -2.567 -17.629 4.835 1.00 0.22 C ATOM 950 C VAL A 836 -3.612 -16.551 4.590 1.00 0.22 C ATOM 951 O VAL A 836 -4.772 -16.850 4.308 1.00 0.27 O ATOM 952 CB VAL A 836 -2.156 -17.604 6.320 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.341 -17.937 7.212 1.00 0.67 C ATOM 954 CG2 VAL A 836 -1.006 -18.568 6.572 1.00 0.62 C ATOM 0 H VAL A 836 -0.588 -17.088 4.431 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.983 -18.611 4.608 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.819 -16.597 6.565 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -3.028 -17.914 8.256 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -4.133 -17.205 7.054 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.713 -18.932 6.967 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.729 -18.537 7.626 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.315 -19.579 6.308 1.00 0.62 H new ATOM 0 HG23 VAL A 836 -0.149 -18.279 5.963 1.00 0.62 H new ATOM 964 N ALA A 837 -3.186 -15.293 4.684 1.00 0.20 N ATOM 965 CA ALA A 837 -4.088 -14.171 4.455 1.00 0.20 C ATOM 966 C ALA A 837 -4.699 -14.250 3.061 1.00 0.20 C ATOM 967 O ALA A 837 -5.791 -13.733 2.821 1.00 0.21 O ATOM 968 CB ALA A 837 -3.357 -12.848 4.637 1.00 0.22 C ATOM 0 H ALA A 837 -2.229 -15.028 4.916 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.892 -14.226 5.189 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -4.048 -12.023 4.462 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.967 -12.785 5.653 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.532 -12.787 3.927 1.00 0.22 H new ATOM 974 N LYS A 838 -3.992 -14.913 2.146 1.00 0.21 N ATOM 975 CA LYS A 838 -4.476 -15.070 0.778 1.00 0.24 C ATOM 976 C LYS A 838 -5.676 -16.010 0.749 1.00 0.24 C ATOM 977 O LYS A 838 -6.666 -15.747 0.066 1.00 0.26 O ATOM 978 CB LYS A 838 -3.366 -15.608 -0.128 1.00 0.28 C ATOM 979 CG LYS A 838 -2.655 -14.525 -0.927 1.00 0.38 C ATOM 980 CD LYS A 838 -1.694 -15.120 -1.944 1.00 0.49 C ATOM 981 CE LYS A 838 -0.454 -15.689 -1.276 1.00 0.68 C ATOM 982 NZ LYS A 838 0.348 -16.525 -2.210 1.00 0.85 N ATOM 0 H LYS A 838 -3.087 -15.347 2.327 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.783 -14.092 0.407 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.634 -16.137 0.483 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.792 -16.336 -0.818 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.392 -13.907 -1.440 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.108 -13.871 -0.248 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.199 -15.906 -2.506 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.402 -14.353 -2.661 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.162 -14.872 -0.900 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.749 -16.289 -0.415 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.019 -17.105 -1.667 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.286 -17.145 -2.753 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.873 -15.909 -2.864 1.00 0.85 H new ATOM 996 N GLU A 839 -5.583 -17.099 1.505 1.00 0.26 N ATOM 997 CA GLU A 839 -6.667 -18.072 1.580 1.00 0.29 C ATOM 998 C GLU A 839 -7.870 -17.464 2.289 1.00 0.27 C ATOM 999 O GLU A 839 -9.011 -17.869 2.066 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.205 -19.330 2.317 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.370 -20.268 1.461 1.00 0.71 C ATOM 1002 CD GLU A 839 -5.669 -21.729 1.736 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -6.750 -22.200 1.328 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -4.821 -22.401 2.361 1.00 1.95 O ATOM 0 H GLU A 839 -4.769 -17.330 2.074 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.956 -18.348 0.566 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.624 -19.036 3.191 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -7.080 -19.868 2.683 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -5.555 -20.055 0.408 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.313 -20.077 1.644 1.00 0.71 H new ATOM 1011 N MET A 840 -7.601 -16.480 3.143 1.00 0.25 N ATOM 1012 CA MET A 840 -8.651 -15.797 3.890 1.00 0.24 C ATOM 1013 C MET A 840 -9.418 -14.841 2.981 1.00 0.24 C ATOM 1014 O MET A 840 -10.630 -14.673 3.123 1.00 0.27 O ATOM 1015 CB MET A 840 -8.040 -15.036 5.074 1.00 0.24 C ATOM 1016 CG MET A 840 -8.891 -13.877 5.572 1.00 0.26 C ATOM 1017 SD MET A 840 -7.984 -12.773 6.672 1.00 0.30 S ATOM 1018 CE MET A 840 -7.301 -11.605 5.497 1.00 0.27 C ATOM 0 H MET A 840 -6.660 -16.137 3.335 1.00 0.25 H new ATOM 0 HA MET A 840 -9.351 -16.540 4.272 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.878 -15.733 5.896 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.061 -14.655 4.782 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.261 -13.310 4.718 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.763 -14.270 6.095 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.712 -10.857 6.028 1.00 0.27 H new ATOM 0 HE2 MET A 840 -6.663 -12.133 4.788 1.00 0.27 H new ATOM 0 HE3 MET A 840 -8.112 -11.113 4.959 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.703 -14.222 2.048 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.309 -13.284 1.113 1.00 0.24 C ATOM 1030 C LEU A 841 -10.254 -14.002 0.158 1.00 0.24 C ATOM 1031 O LEU A 841 -11.394 -13.581 -0.036 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.223 -12.552 0.319 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.508 -11.431 1.073 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.122 -11.198 0.492 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.330 -10.150 1.027 1.00 0.38 C ATOM 0 H LEU A 841 -7.700 -14.354 1.920 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.884 -12.557 1.687 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.480 -13.280 -0.006 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.674 -12.133 -0.581 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.397 -11.731 2.115 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.627 -10.397 1.041 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.534 -12.112 0.576 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.210 -10.918 -0.558 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.807 -9.362 1.569 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.471 -9.845 -0.010 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.302 -10.324 1.489 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.773 -15.089 -0.437 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.577 -15.861 -1.377 1.00 0.35 C ATOM 1049 C ALA A 842 -11.539 -16.794 -0.655 1.00 0.36 C ATOM 1050 O ALA A 842 -12.311 -17.513 -1.289 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.680 -16.655 -2.309 1.00 0.49 C ATOM 0 H ALA A 842 -8.833 -15.454 -0.285 1.00 0.30 H new ATOM 0 HA ALA A 842 -11.169 -15.158 -1.963 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.294 -17.227 -3.005 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -9.039 -15.972 -2.867 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.062 -17.337 -1.725 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.499 -16.772 0.674 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.381 -17.613 1.472 1.00 0.42 C ATOM 1059 C GLU A 843 -13.832 -17.178 1.296 1.00 0.53 C ATOM 1060 O GLU A 843 -14.745 -17.768 1.873 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.989 -17.547 2.950 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.479 -18.735 3.764 1.00 0.57 C ATOM 1063 CD GLU A 843 -13.460 -18.332 4.848 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -13.008 -18.006 5.966 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -14.679 -18.345 4.579 1.00 1.68 O ATOM 0 H GLU A 843 -10.868 -16.183 1.218 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.279 -18.642 1.128 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.903 -17.488 3.027 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.390 -16.631 3.383 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -12.954 -19.456 3.099 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -11.625 -19.236 4.220 1.00 0.57 H new ATOM 1072 N ASN A 844 -14.032 -16.137 0.492 1.00 0.54 N ATOM 1073 CA ASN A 844 -15.366 -15.610 0.229 1.00 0.77 C ATOM 1074 C ASN A 844 -15.438 -15.002 -1.169 1.00 0.81 C ATOM 1075 O ASN A 844 -16.072 -15.559 -2.065 1.00 1.48 O ATOM 1076 CB ASN A 844 -15.737 -14.556 1.275 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.763 -15.119 2.682 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.785 -15.630 3.141 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.634 -15.026 3.377 1.00 1.05 N ATOM 0 H ASN A 844 -13.283 -15.641 0.010 1.00 0.54 H new ATOM 0 HA ASN A 844 -16.076 -16.435 0.288 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -15.021 -13.735 1.229 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -16.715 -14.140 1.035 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.591 -15.386 4.330 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.811 -14.595 2.957 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.781 -13.856 -1.341 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.766 -13.164 -2.627 1.00 0.56 C ATOM 1088 C ASN A 845 -13.899 -11.907 -2.567 1.00 0.48 C ATOM 1089 O ASN A 845 -14.116 -10.958 -3.321 1.00 0.57 O ATOM 1090 CB ASN A 845 -16.189 -12.790 -3.051 1.00 0.73 C ATOM 1091 CG ASN A 845 -16.821 -11.776 -2.119 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -17.093 -12.069 -0.954 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.056 -10.573 -2.628 1.00 1.97 N ATOM 0 H ASN A 845 -14.252 -13.388 -0.605 1.00 0.49 H new ATOM 0 HA ASN A 845 -14.339 -13.844 -3.364 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.169 -12.386 -4.063 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.805 -13.689 -3.078 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -17.478 -9.848 -2.048 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.814 -10.374 -3.599 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.919 -11.905 -1.667 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.025 -10.763 -1.516 1.00 0.31 C ATOM 1102 C GLU A 846 -10.694 -11.019 -2.214 1.00 0.30 C ATOM 1103 O GLU A 846 -10.166 -12.130 -2.177 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.789 -10.464 -0.034 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.642 -9.324 0.499 1.00 0.44 C ATOM 1106 CD GLU A 846 -12.899 -9.438 1.989 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.000 -9.079 2.777 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.003 -9.885 2.368 1.00 1.69 O ATOM 0 H GLU A 846 -12.725 -12.680 -1.033 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.499 -9.899 -1.982 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.995 -11.363 0.547 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.737 -10.221 0.116 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.147 -8.376 0.291 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.595 -9.309 -0.031 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.158 -9.982 -2.851 1.00 0.27 N ATOM 1116 CA LYS A 847 -8.888 -10.093 -3.559 1.00 0.31 C ATOM 1117 C LYS A 847 -8.029 -8.854 -3.334 1.00 0.36 C ATOM 1118 O LYS A 847 -6.939 -8.736 -3.892 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.129 -10.297 -5.057 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.348 -9.558 -5.587 1.00 0.69 C ATOM 1121 CD LYS A 847 -10.236 -9.298 -7.081 1.00 0.97 C ATOM 1122 CE LYS A 847 -10.674 -10.505 -7.892 1.00 1.32 C ATOM 1123 NZ LYS A 847 -10.004 -10.555 -9.221 1.00 1.98 N ATOM 0 H LYS A 847 -10.584 -9.056 -2.891 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.356 -10.958 -3.164 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.247 -9.966 -5.606 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.247 -11.362 -5.255 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.246 -10.142 -5.385 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.459 -8.611 -5.059 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.849 -8.437 -7.348 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -9.206 -9.045 -7.331 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -10.449 -11.416 -7.337 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -11.755 -10.476 -8.031 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -10.330 -11.393 -9.743 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -10.239 -9.698 -9.761 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -8.974 -10.609 -9.089 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.525 -7.933 -2.514 1.00 0.32 N ATOM 1138 CA PHE A 848 -7.798 -6.704 -2.217 1.00 0.37 C ATOM 1139 C PHE A 848 -7.315 -6.692 -0.769 1.00 0.30 C ATOM 1140 O PHE A 848 -8.102 -6.873 0.160 1.00 0.39 O ATOM 1141 CB PHE A 848 -8.679 -5.480 -2.481 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.736 -5.705 -3.526 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -9.420 -5.656 -4.876 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -11.046 -5.964 -3.157 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -10.393 -5.860 -5.836 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -12.023 -6.168 -4.114 1.00 1.02 C ATOM 1147 CZ PHE A 848 -11.697 -6.116 -5.453 1.00 0.98 C ATOM 0 H PHE A 848 -9.426 -8.014 -2.044 1.00 0.32 H new ATOM 0 HA PHE A 848 -6.929 -6.663 -2.874 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -9.160 -5.183 -1.549 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -8.046 -4.649 -2.792 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -8.403 -5.456 -5.180 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -11.307 -6.007 -2.110 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -10.135 -5.820 -6.884 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -13.041 -6.368 -3.813 1.00 1.02 H new ATOM 0 HZ PHE A 848 -12.459 -6.275 -6.202 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.015 -6.478 -0.588 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.421 -6.441 0.745 1.00 0.23 C ATOM 1159 C LEU A 849 -5.276 -5.002 1.231 1.00 0.24 C ATOM 1160 O LEU A 849 -4.808 -4.136 0.493 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.051 -7.133 0.731 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.799 -8.200 1.815 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.721 -7.731 2.777 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.072 -8.551 2.577 1.00 0.74 C ATOM 0 H LEU A 849 -5.352 -6.327 -1.348 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.081 -6.972 1.431 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -3.917 -7.601 -0.244 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.282 -6.366 0.824 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.460 -9.105 1.310 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.554 -8.495 3.537 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -1.795 -7.556 2.229 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.039 -6.805 3.257 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.848 -9.306 3.331 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.463 -7.657 3.064 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.816 -8.941 1.882 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.685 -4.756 2.473 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.607 -3.420 3.061 1.00 0.29 C ATOM 1178 C ASN A 850 -4.233 -3.167 3.676 1.00 0.30 C ATOM 1179 O ASN A 850 -3.539 -4.102 4.076 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.691 -3.249 4.126 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.900 -2.497 3.607 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.853 -1.875 2.547 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.995 -2.550 4.358 1.00 0.92 N ATOM 0 H ASN A 850 -6.075 -5.466 3.093 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.765 -2.693 2.264 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -7.003 -4.230 4.483 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.275 -2.716 4.981 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.841 -2.063 4.062 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.990 -3.078 5.231 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.847 -1.894 3.750 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.556 -1.514 4.319 1.00 0.36 C ATOM 1192 C ILE A 851 -2.695 -0.301 5.235 1.00 0.53 C ATOM 1193 O ILE A 851 -3.687 0.424 5.168 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.525 -1.201 3.226 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.640 -2.231 2.105 1.00 0.54 C ATOM 1196 CG2 ILE A 851 -0.118 -1.170 3.801 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.734 -3.437 2.258 1.00 1.04 C ATOM 0 H ILE A 851 -4.410 -1.109 3.423 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.206 -2.368 4.899 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.731 -0.212 2.816 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.673 -2.574 2.050 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.415 -1.743 1.157 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.595 -0.946 3.007 1.00 0.53 H new ATOM 0 HG22 ILE A 851 -0.057 -0.401 4.571 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.118 -2.140 4.238 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.884 -4.114 1.417 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.306 -3.111 2.280 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.972 -3.955 3.187 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.696 -0.082 6.085 1.00 0.59 N ATOM 1210 CA ARG A 852 -1.714 1.050 7.006 1.00 0.80 C ATOM 1211 C ARG A 852 -0.648 2.072 6.627 1.00 0.83 C ATOM 1212 O ARG A 852 -0.907 3.275 6.613 1.00 1.70 O ATOM 1213 CB ARG A 852 -1.490 0.576 8.443 1.00 1.22 C ATOM 1214 CG ARG A 852 -2.647 0.900 9.375 1.00 2.24 C ATOM 1215 CD ARG A 852 -2.612 2.352 9.823 1.00 3.05 C ATOM 1216 NE ARG A 852 -3.950 2.880 10.077 1.00 3.71 N ATOM 1217 CZ ARG A 852 -4.185 3.997 10.760 1.00 4.39 C ATOM 1218 NH1 ARG A 852 -3.177 4.695 11.265 1.00 4.68 N ATOM 1219 NH2 ARG A 852 -5.431 4.416 10.939 1.00 5.09 N ATOM 0 H ARG A 852 -0.866 -0.671 6.155 1.00 0.59 H new ATOM 0 HA ARG A 852 -2.693 1.524 6.938 1.00 0.80 H new ATOM 0 HB2 ARG A 852 -1.326 -0.502 8.441 1.00 1.22 H new ATOM 0 HB3 ARG A 852 -0.581 1.035 8.831 1.00 1.22 H new ATOM 0 HG2 ARG A 852 -3.591 0.697 8.869 1.00 2.24 H new ATOM 0 HG3 ARG A 852 -2.606 0.248 10.247 1.00 2.24 H new ATOM 0 HD2 ARG A 852 -2.011 2.437 10.728 1.00 3.05 H new ATOM 0 HD3 ARG A 852 -2.124 2.956 9.058 1.00 3.05 H new ATOM 0 HE ARG A 852 -4.749 2.363 9.710 1.00 3.71 H new ATOM 0 HH11 ARG A 852 -2.218 4.376 11.130 1.00 4.68 H new ATOM 0 HH12 ARG A 852 -3.361 5.551 11.788 1.00 4.68 H new ATOM 0 HH21 ARG A 852 -6.209 3.882 10.553 1.00 5.09 H new ATOM 0 HH22 ARG A 852 -5.611 5.273 11.463 1.00 5.09 H new ATOM 1233 N LEU A 853 0.550 1.580 6.321 1.00 0.91 N ATOM 1234 CA LEU A 853 1.663 2.446 5.942 1.00 1.58 C ATOM 1235 C LEU A 853 1.968 3.459 7.040 1.00 2.01 C ATOM 1236 O LEU A 853 2.526 4.525 6.775 1.00 2.60 O ATOM 1237 CB LEU A 853 1.350 3.175 4.632 1.00 1.88 C ATOM 1238 CG LEU A 853 1.389 2.300 3.378 1.00 1.74 C ATOM 1239 CD1 LEU A 853 0.194 2.593 2.485 1.00 1.95 C ATOM 1240 CD2 LEU A 853 2.691 2.516 2.620 1.00 2.38 C ATOM 0 H LEU A 853 0.775 0.585 6.328 1.00 0.91 H new ATOM 0 HA LEU A 853 2.542 1.818 5.799 1.00 1.58 H new ATOM 0 HB2 LEU A 853 0.360 3.625 4.712 1.00 1.88 H new ATOM 0 HB3 LEU A 853 2.062 3.991 4.509 1.00 1.88 H new ATOM 0 HG LEU A 853 1.338 1.255 3.684 1.00 1.74 H new ATOM 0 HD11 LEU A 853 0.239 1.961 1.598 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -0.727 2.388 3.031 1.00 1.95 H new ATOM 0 HD13 LEU A 853 0.212 3.641 2.185 1.00 1.95 H new ATOM 0 HD21 LEU A 853 2.703 1.886 1.730 1.00 2.38 H new ATOM 0 HD22 LEU A 853 2.771 3.562 2.325 1.00 2.38 H new ATOM 0 HD23 LEU A 853 3.533 2.255 3.261 1.00 2.38 H new ATOM 1252 N TYR A 854 1.602 3.120 8.273 1.00 1.85 N ATOM 1253 CA TYR A 854 1.838 4.004 9.409 1.00 2.27 C ATOM 1254 C TYR A 854 3.113 3.612 10.151 1.00 2.81 C ATOM 1255 O TYR A 854 3.690 4.483 10.834 1.00 3.39 O ATOM 1256 CB TYR A 854 0.638 3.979 10.363 1.00 2.12 C ATOM 1257 CG TYR A 854 0.667 2.845 11.366 1.00 1.65 C ATOM 1258 CD1 TYR A 854 0.618 1.520 10.952 1.00 1.32 C ATOM 1259 CD2 TYR A 854 0.741 3.103 12.729 1.00 1.81 C ATOM 1260 CE1 TYR A 854 0.643 0.484 11.867 1.00 1.08 C ATOM 1261 CE2 TYR A 854 0.767 2.072 13.650 1.00 1.84 C ATOM 1262 CZ TYR A 854 0.716 0.766 13.214 1.00 1.48 C ATOM 1263 OH TYR A 854 0.740 -0.262 14.128 1.00 1.82 O ATOM 1264 OXT TYR A 854 3.523 2.437 10.043 1.00 3.18 O ATOM 0 H TYR A 854 1.142 2.241 8.510 1.00 1.85 H new ATOM 0 HA TYR A 854 1.964 5.018 9.029 1.00 2.27 H new ATOM 0 HB2 TYR A 854 0.597 4.925 10.902 1.00 2.12 H new ATOM 0 HB3 TYR A 854 -0.277 3.907 9.776 1.00 2.12 H new ATOM 0 HD1 TYR A 854 0.559 1.295 9.897 1.00 1.32 H new ATOM 0 HD2 TYR A 854 0.779 4.125 13.075 1.00 1.81 H new ATOM 0 HE1 TYR A 854 0.606 -0.541 11.528 1.00 1.08 H new ATOM 0 HE2 TYR A 854 0.827 2.289 14.706 1.00 1.84 H new ATOM 0 HH TYR A 854 0.794 0.107 15.034 1.00 1.82 H new TER 1274 TYR A 854