USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 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+ 170:sc= -0.0721 (180deg=-0.174) USER MOD Set 1.2: A 854 TYR OH : rot 120:sc= -0.442 USER MOD Set 2.1: A 782 THR OG1 : rot -73:sc= 1.22 USER MOD Set 2.2: A 850 ASN : amide:sc= -1.43! C(o=-0.21!,f=-6!) 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 787 LYS NZ :NH3+ -157:sc=-0.00757 (180deg=-0.473) USER MOD Single : A 790 ASN : amide:sc= -7.91! C(o=-7.9!,f=-8.6!) USER MOD Single : A 796 MET CE :methyl -179:sc= 0 (180deg=-0.000195) USER MOD Single : A 799 ASN : amide:sc= -2.83! K(o=-2.8!,f=-1.1) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 164:sc= -0.238 (180deg=-0.54) USER MOD Single : A 803 SER OG : rot -55:sc= 0.22 USER MOD Single : A 804 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.082) USER MOD Single : A 807 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 808 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.036) 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 141:sc= 0.208 USER MOD Single : A 819 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.7!) USER MOD Single : A 830 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0.458 K(o=0.46,f=-0.057) USER MOD Single : A 838 LYS NZ :NH3+ 166:sc= -0.0206 (180deg=-0.062) USER MOD Single : A 840 MET CE :methyl -118:sc= -0.0367 (180deg=-1.86!) USER MOD Single : A 844 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.9!) USER MOD Single : A 845 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.98) USER MOD Single : A 847 LYS NZ :NH3+ 159:sc= -0.118 (180deg=-0.585) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -10.980 11.862 15.197 1.00 9.10 N ATOM 2 CA GLY A 775 -11.715 11.332 14.015 1.00 8.80 C ATOM 3 C GLY A 775 -11.300 9.920 13.656 1.00 8.11 C ATOM 4 O GLY A 775 -12.031 9.207 12.969 1.00 8.12 O ATOM 0 HA2 GLY A 775 -12.786 11.351 14.219 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -11.541 11.986 13.161 1.00 8.80 H new ATOM 10 N ALA A 776 -10.119 9.516 14.120 1.00 7.81 N ATOM 11 CA ALA A 776 -9.600 8.180 13.845 1.00 7.43 C ATOM 12 C ALA A 776 -9.499 7.929 12.344 1.00 6.66 C ATOM 13 O ALA A 776 -10.396 7.339 11.740 1.00 6.79 O ATOM 14 CB ALA A 776 -10.476 7.125 14.505 1.00 8.12 C ATOM 0 H ALA A 776 -9.503 10.097 14.689 1.00 7.81 H new ATOM 0 HA ALA A 776 -8.596 8.113 14.265 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -10.076 6.134 14.291 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -10.489 7.286 15.583 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -11.491 7.199 14.115 1.00 8.12 H new ATOM 20 N MET A 777 -8.400 8.382 11.746 1.00 6.18 N ATOM 21 CA MET A 777 -8.182 8.208 10.315 1.00 5.71 C ATOM 22 C MET A 777 -6.723 7.865 10.023 1.00 5.06 C ATOM 23 O MET A 777 -5.915 7.722 10.939 1.00 5.55 O ATOM 24 CB MET A 777 -8.581 9.479 9.562 1.00 6.17 C ATOM 25 CG MET A 777 -7.859 10.726 10.048 1.00 6.70 C ATOM 26 SD MET A 777 -7.740 12.000 8.777 1.00 7.49 S ATOM 27 CE MET A 777 -8.705 13.313 9.520 1.00 8.34 C ATOM 0 H MET A 777 -7.648 8.872 12.231 1.00 6.18 H new ATOM 0 HA MET A 777 -8.804 7.380 9.975 1.00 5.71 H new ATOM 0 HB2 MET A 777 -8.377 9.342 8.500 1.00 6.17 H new ATOM 0 HB3 MET A 777 -9.656 9.629 9.663 1.00 6.17 H new ATOM 0 HG2 MET A 777 -8.383 11.130 10.914 1.00 6.70 H new ATOM 0 HG3 MET A 777 -6.857 10.455 10.380 1.00 6.70 H new ATOM 0 HE1 MET A 777 -8.725 14.173 8.851 1.00 8.34 H new ATOM 0 HE2 MET A 777 -9.723 12.964 9.692 1.00 8.34 H new ATOM 0 HE3 MET A 777 -8.255 13.602 10.470 1.00 8.34 H new ATOM 37 N GLY A 778 -6.396 7.735 8.741 1.00 4.25 N ATOM 38 CA GLY A 778 -5.036 7.410 8.350 1.00 3.79 C ATOM 39 C GLY A 778 -4.916 7.069 6.878 1.00 2.65 C ATOM 40 O GLY A 778 -5.832 7.325 6.097 1.00 2.91 O ATOM 0 H GLY A 778 -7.049 7.849 7.966 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -4.385 8.254 8.577 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -4.683 6.567 8.944 1.00 3.79 H new ATOM 44 N SER A 779 -3.781 6.491 6.499 1.00 1.98 N ATOM 45 CA SER A 779 -3.539 6.115 5.110 1.00 1.35 C ATOM 46 C SER A 779 -3.673 4.607 4.920 1.00 1.02 C ATOM 47 O SER A 779 -3.109 3.823 5.683 1.00 1.06 O ATOM 48 CB SER A 779 -2.147 6.572 4.671 1.00 2.12 C ATOM 49 OG SER A 779 -2.133 7.961 4.381 1.00 2.61 O ATOM 0 H SER A 779 -3.014 6.272 7.134 1.00 1.98 H new ATOM 0 HA SER A 779 -4.289 6.609 4.492 1.00 1.35 H new ATOM 0 HB2 SER A 779 -1.425 6.354 5.458 1.00 2.12 H new ATOM 0 HB3 SER A 779 -1.838 6.010 3.790 1.00 2.12 H new ATOM 0 HG SER A 779 -1.232 8.228 4.104 1.00 2.61 H new ATOM 55 N ILE A 780 -4.422 4.209 3.896 1.00 0.79 N ATOM 56 CA ILE A 780 -4.631 2.794 3.602 1.00 0.51 C ATOM 57 C ILE A 780 -4.139 2.454 2.198 1.00 0.46 C ATOM 58 O ILE A 780 -3.776 3.342 1.428 1.00 0.53 O ATOM 59 CB ILE A 780 -6.116 2.396 3.726 1.00 0.43 C ATOM 60 CG1 ILE A 780 -6.950 3.563 4.258 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.263 1.182 4.631 1.00 0.58 C ATOM 62 CD1 ILE A 780 -7.676 4.330 3.175 1.00 1.22 C ATOM 0 H ILE A 780 -4.895 4.846 3.255 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.057 2.231 4.338 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.486 2.139 2.733 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -7.679 3.182 4.973 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -6.298 4.247 4.802 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.316 0.912 4.710 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -5.704 0.345 4.211 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.874 1.417 5.622 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -8.247 5.142 3.625 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -6.951 4.741 2.472 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.354 3.660 2.646 1.00 1.22 H new ATOM 74 N PHE A 781 -4.129 1.164 1.870 1.00 0.39 N ATOM 75 CA PHE A 781 -3.682 0.715 0.562 1.00 0.36 C ATOM 76 C PHE A 781 -4.337 -0.612 0.204 1.00 0.30 C ATOM 77 O PHE A 781 -3.809 -1.679 0.508 1.00 0.35 O ATOM 78 CB PHE A 781 -2.159 0.571 0.542 1.00 0.41 C ATOM 79 CG PHE A 781 -1.500 1.277 -0.609 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.736 2.623 -0.838 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.646 0.595 -1.463 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.135 3.275 -1.896 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.041 1.243 -2.523 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.277 2.579 -2.739 1.00 0.73 C ATOM 0 H PHE A 781 -4.426 0.414 2.495 1.00 0.39 H new ATOM 0 HA PHE A 781 -3.974 1.460 -0.178 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.754 0.961 1.476 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -1.904 -0.488 0.501 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.398 3.168 -0.181 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.452 -0.454 -1.298 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.331 4.323 -2.068 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.618 0.698 -3.183 1.00 0.94 H new ATOM 0 HZ PHE A 781 0.203 3.087 -3.562 1.00 0.73 H new ATOM 94 N THR A 782 -5.495 -0.534 -0.437 1.00 0.28 N ATOM 95 CA THR A 782 -6.232 -1.729 -0.830 1.00 0.29 C ATOM 96 C THR A 782 -5.977 -2.075 -2.291 1.00 0.35 C ATOM 97 O THR A 782 -6.654 -1.575 -3.191 1.00 0.52 O ATOM 98 CB THR A 782 -7.747 -1.552 -0.619 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.012 -0.286 -0.006 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.307 -2.670 0.250 1.00 0.44 C ATOM 0 H THR A 782 -5.945 0.344 -0.696 1.00 0.28 H new ATOM 0 HA THR A 782 -5.875 -2.541 -0.196 1.00 0.29 H new ATOM 0 HB THR A 782 -8.234 -1.592 -1.593 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.746 -0.317 0.937 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.379 -2.524 0.385 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.130 -3.630 -0.234 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.814 -2.657 1.222 1.00 0.44 H new ATOM 108 N LEU A 783 -4.992 -2.937 -2.515 1.00 0.40 N ATOM 109 CA LEU A 783 -4.630 -3.361 -3.859 1.00 0.56 C ATOM 110 C LEU A 783 -5.312 -4.678 -4.216 1.00 0.58 C ATOM 111 O LEU A 783 -5.752 -5.419 -3.336 1.00 0.99 O ATOM 112 CB LEU A 783 -3.115 -3.525 -3.957 1.00 0.67 C ATOM 113 CG LEU A 783 -2.465 -2.868 -5.171 1.00 0.94 C ATOM 114 CD1 LEU A 783 -2.111 -1.422 -4.867 1.00 1.57 C ATOM 115 CD2 LEU A 783 -1.229 -3.649 -5.581 1.00 1.53 C ATOM 0 H LEU A 783 -4.427 -3.357 -1.777 1.00 0.40 H new ATOM 0 HA LEU A 783 -4.963 -2.597 -4.562 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -2.662 -3.112 -3.055 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -2.882 -4.590 -3.972 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.174 -2.876 -5.999 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.648 -0.969 -5.744 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -3.016 -0.872 -4.609 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.414 -1.386 -4.030 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -0.770 -3.175 -6.448 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -0.517 -3.663 -4.756 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -1.512 -4.671 -5.834 1.00 1.53 H new ATOM 127 N LEU A 784 -5.383 -4.969 -5.509 1.00 0.27 N ATOM 128 CA LEU A 784 -5.999 -6.202 -5.979 1.00 0.26 C ATOM 129 C LEU A 784 -4.932 -7.266 -6.225 1.00 0.23 C ATOM 130 O LEU A 784 -4.111 -7.139 -7.135 1.00 0.29 O ATOM 131 CB LEU A 784 -6.812 -5.942 -7.245 1.00 0.31 C ATOM 132 CG LEU A 784 -6.869 -7.094 -8.249 1.00 0.51 C ATOM 133 CD1 LEU A 784 -7.994 -8.055 -7.896 1.00 0.81 C ATOM 134 CD2 LEU A 784 -7.046 -6.561 -9.663 1.00 0.75 C ATOM 0 H LEU A 784 -5.022 -4.368 -6.250 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.678 -6.571 -5.210 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.831 -5.689 -6.954 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.397 -5.068 -7.747 1.00 0.31 H new ATOM 0 HG LEU A 784 -5.926 -7.638 -8.202 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -8.019 -8.868 -8.621 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -7.825 -8.463 -6.899 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.945 -7.524 -7.914 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -7.084 -7.395 -10.364 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.974 -5.993 -9.724 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -6.206 -5.913 -9.915 1.00 0.75 H new ATOM 146 N VAL A 785 -4.942 -8.305 -5.399 1.00 0.25 N ATOM 147 CA VAL A 785 -3.969 -9.385 -5.517 1.00 0.30 C ATOM 148 C VAL A 785 -4.542 -10.570 -6.290 1.00 0.34 C ATOM 149 O VAL A 785 -5.627 -10.483 -6.864 1.00 0.55 O ATOM 150 CB VAL A 785 -3.499 -9.864 -4.131 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.723 -8.764 -3.423 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.684 -10.314 -3.290 1.00 1.18 C ATOM 0 H VAL A 785 -5.613 -8.423 -4.640 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.117 -8.984 -6.066 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.835 -10.718 -4.268 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.398 -9.119 -2.445 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.851 -8.493 -4.018 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.363 -7.890 -3.298 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -4.332 -10.649 -2.314 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.375 -9.481 -3.160 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -5.196 -11.135 -3.792 1.00 1.18 H new ATOM 162 N GLU A 786 -3.800 -11.674 -6.301 1.00 0.38 N ATOM 163 CA GLU A 786 -4.225 -12.878 -7.005 1.00 0.42 C ATOM 164 C GLU A 786 -3.921 -14.125 -6.180 1.00 0.46 C ATOM 165 O GLU A 786 -3.235 -14.053 -5.159 1.00 0.48 O ATOM 166 CB GLU A 786 -3.527 -12.969 -8.363 1.00 0.43 C ATOM 167 CG GLU A 786 -4.293 -13.785 -9.391 1.00 0.56 C ATOM 168 CD GLU A 786 -4.666 -12.975 -10.618 1.00 0.75 C ATOM 169 OE1 GLU A 786 -3.804 -12.814 -11.507 1.00 1.02 O ATOM 170 OE2 GLU A 786 -5.819 -12.501 -10.688 1.00 1.40 O ATOM 0 H GLU A 786 -2.900 -11.759 -5.829 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.302 -12.820 -7.159 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.375 -11.962 -8.752 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.540 -13.410 -8.225 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.689 -14.640 -9.694 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.199 -14.182 -8.933 1.00 0.56 H new ATOM 177 N LYS A 787 -4.431 -15.268 -6.631 1.00 0.51 N ATOM 178 CA LYS A 787 -4.208 -16.532 -5.937 1.00 0.57 C ATOM 179 C LYS A 787 -2.894 -17.163 -6.385 1.00 0.60 C ATOM 180 O LYS A 787 -2.845 -18.340 -6.748 1.00 1.07 O ATOM 181 CB LYS A 787 -5.368 -17.500 -6.197 1.00 0.64 C ATOM 182 CG LYS A 787 -6.725 -16.821 -6.313 1.00 1.29 C ATOM 183 CD LYS A 787 -7.213 -16.313 -4.964 1.00 1.49 C ATOM 184 CE LYS A 787 -8.715 -16.072 -4.970 1.00 2.24 C ATOM 185 NZ LYS A 787 -9.095 -14.920 -4.107 1.00 2.85 N ATOM 0 H LYS A 787 -5.001 -15.344 -7.473 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.154 -16.328 -4.868 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -5.169 -18.051 -7.116 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.406 -18.231 -5.389 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -6.658 -15.989 -7.013 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -7.451 -17.524 -6.722 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -6.963 -17.037 -4.189 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.696 -15.387 -4.714 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -9.049 -15.887 -5.991 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -9.228 -16.969 -4.625 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -10.090 -15.014 -3.821 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -8.491 -14.906 -3.260 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -8.969 -14.034 -4.636 1.00 2.85 H new ATOM 199 N VAL A 788 -1.829 -16.367 -6.363 1.00 0.29 N ATOM 200 CA VAL A 788 -0.510 -16.837 -6.771 1.00 0.29 C ATOM 201 C VAL A 788 0.576 -15.867 -6.314 1.00 0.26 C ATOM 202 O VAL A 788 1.726 -16.256 -6.107 1.00 0.29 O ATOM 203 CB VAL A 788 -0.434 -17.005 -8.304 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.956 -15.761 -9.006 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.990 -17.312 -8.747 1.00 0.33 C ATOM 0 H VAL A 788 -1.854 -15.391 -6.066 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.346 -17.806 -6.299 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.065 -17.848 -8.583 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.894 -15.899 -10.085 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.994 -15.591 -8.721 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.354 -14.900 -8.715 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.017 -17.426 -9.831 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.647 -16.494 -8.451 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.326 -18.236 -8.276 1.00 0.33 H new ATOM 215 N TRP A 789 0.200 -14.601 -6.168 1.00 0.21 N ATOM 216 CA TRP A 789 1.134 -13.563 -5.745 1.00 0.18 C ATOM 217 C TRP A 789 1.862 -13.944 -4.466 1.00 0.18 C ATOM 218 O TRP A 789 1.239 -14.188 -3.432 1.00 0.19 O ATOM 219 CB TRP A 789 0.401 -12.241 -5.527 1.00 0.18 C ATOM 220 CG TRP A 789 0.084 -11.529 -6.802 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.072 -12.063 -8.059 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.260 -10.148 -6.949 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.257 -11.100 -8.977 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.469 -9.915 -8.321 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.413 -9.089 -6.053 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.822 -8.662 -8.816 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.764 -7.846 -6.543 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.966 -7.641 -7.915 1.00 0.30 C ATOM 0 H TRP A 789 -0.749 -14.268 -6.337 1.00 0.21 H new ATOM 0 HA TRP A 789 1.870 -13.452 -6.542 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.525 -12.431 -4.984 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.012 -11.593 -4.898 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.290 -13.094 -8.295 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.332 -11.242 -9.984 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.260 -9.239 -4.994 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.977 -8.501 -9.873 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.885 -7.019 -5.859 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.241 -6.658 -8.268 1.00 0.30 H new ATOM 239 N ASN A 790 3.186 -13.962 -4.536 1.00 0.18 N ATOM 240 CA ASN A 790 4.006 -14.275 -3.378 1.00 0.20 C ATOM 241 C ASN A 790 4.445 -12.974 -2.719 1.00 0.18 C ATOM 242 O ASN A 790 4.406 -11.923 -3.353 1.00 0.20 O ATOM 243 CB ASN A 790 5.212 -15.129 -3.794 1.00 0.24 C ATOM 244 CG ASN A 790 6.489 -14.330 -3.944 1.00 0.93 C ATOM 245 OD1 ASN A 790 7.335 -14.315 -3.048 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.643 -13.674 -5.088 1.00 0.77 N ATOM 0 H ASN A 790 3.714 -13.763 -5.385 1.00 0.18 H new ATOM 0 HA ASN A 790 3.429 -14.856 -2.659 1.00 0.20 H new ATOM 0 HB2 ASN A 790 5.367 -15.912 -3.052 1.00 0.24 H new ATOM 0 HB3 ASN A 790 4.989 -15.625 -4.739 1.00 0.24 H new ATOM 0 HD21 ASN A 790 7.489 -13.129 -5.253 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.915 -13.715 -5.802 1.00 0.77 H new ATOM 253 N PHE A 791 4.828 -13.033 -1.447 1.00 0.20 N ATOM 254 CA PHE A 791 5.238 -11.832 -0.716 1.00 0.20 C ATOM 255 C PHE A 791 6.166 -10.962 -1.556 1.00 0.16 C ATOM 256 O PHE A 791 6.137 -9.736 -1.458 1.00 0.17 O ATOM 257 CB PHE A 791 5.913 -12.211 0.606 1.00 0.26 C ATOM 258 CG PHE A 791 6.488 -11.039 1.351 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.668 -10.191 2.077 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.851 -10.789 1.327 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.195 -9.112 2.762 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.384 -9.713 2.012 1.00 0.59 C ATOM 263 CZ PHE A 791 7.555 -8.874 2.731 1.00 0.63 C ATOM 0 H PHE A 791 4.864 -13.894 -0.901 1.00 0.20 H new ATOM 0 HA PHE A 791 4.341 -11.253 -0.498 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.186 -12.714 1.244 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.709 -12.928 0.404 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.604 -10.375 2.108 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.504 -11.442 0.767 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.544 -8.456 3.321 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.448 -9.528 1.985 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.970 -8.034 3.268 1.00 0.63 H new ATOM 273 N ASP A 792 6.974 -11.600 -2.393 1.00 0.17 N ATOM 274 CA ASP A 792 7.884 -10.870 -3.258 1.00 0.17 C ATOM 275 C ASP A 792 7.098 -10.121 -4.323 1.00 0.16 C ATOM 276 O ASP A 792 7.271 -8.917 -4.492 1.00 0.19 O ATOM 277 CB ASP A 792 8.887 -11.820 -3.912 1.00 0.22 C ATOM 278 CG ASP A 792 10.126 -12.030 -3.062 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.976 -11.117 -3.016 1.00 2.05 O ATOM 280 OD2 ASP A 792 10.243 -13.106 -2.441 1.00 1.47 O ATOM 0 H ASP A 792 7.016 -12.615 -2.489 1.00 0.17 H new ATOM 0 HA ASP A 792 8.438 -10.152 -2.653 1.00 0.17 H new ATOM 0 HB2 ASP A 792 8.407 -12.782 -4.093 1.00 0.22 H new ATOM 0 HB3 ASP A 792 9.180 -11.422 -4.884 1.00 0.22 H new ATOM 285 N ASP A 793 6.220 -10.838 -5.028 1.00 0.17 N ATOM 286 CA ASP A 793 5.397 -10.225 -6.064 1.00 0.18 C ATOM 287 C ASP A 793 4.509 -9.144 -5.461 1.00 0.17 C ATOM 288 O ASP A 793 4.165 -8.165 -6.122 1.00 0.24 O ATOM 289 CB ASP A 793 4.540 -11.282 -6.761 1.00 0.19 C ATOM 290 CG ASP A 793 4.494 -11.092 -8.265 1.00 0.56 C ATOM 291 OD1 ASP A 793 3.742 -10.210 -8.729 1.00 1.07 O ATOM 292 OD2 ASP A 793 5.210 -11.826 -8.979 1.00 1.04 O ATOM 0 H ASP A 793 6.064 -11.838 -4.899 1.00 0.17 H new ATOM 0 HA ASP A 793 6.055 -9.768 -6.803 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.935 -12.272 -6.535 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.526 -11.244 -6.362 1.00 0.19 H new ATOM 297 N LEU A 794 4.152 -9.328 -4.192 1.00 0.14 N ATOM 298 CA LEU A 794 3.317 -8.371 -3.483 1.00 0.15 C ATOM 299 C LEU A 794 4.066 -7.060 -3.282 1.00 0.15 C ATOM 300 O LEU A 794 3.569 -5.987 -3.620 1.00 0.17 O ATOM 301 CB LEU A 794 2.897 -8.930 -2.120 1.00 0.19 C ATOM 302 CG LEU A 794 1.862 -8.091 -1.372 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.574 -7.981 -2.177 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.588 -8.681 0.003 1.00 0.70 C ATOM 0 H LEU A 794 4.431 -10.136 -3.635 1.00 0.14 H new ATOM 0 HA LEU A 794 2.426 -8.189 -4.084 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.495 -9.933 -2.263 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.784 -9.028 -1.495 1.00 0.19 H new ATOM 0 HG LEU A 794 2.266 -7.088 -1.239 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.149 -7.380 -1.626 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.784 -7.508 -3.136 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.164 -8.977 -2.346 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.849 -8.070 0.520 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.207 -9.696 -0.106 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.512 -8.700 0.581 1.00 0.70 H new ATOM 316 N ILE A 795 5.267 -7.166 -2.724 1.00 0.19 N ATOM 317 CA ILE A 795 6.101 -6.000 -2.466 1.00 0.22 C ATOM 318 C ILE A 795 6.368 -5.205 -3.739 1.00 0.21 C ATOM 319 O ILE A 795 6.549 -3.993 -3.687 1.00 0.23 O ATOM 320 CB ILE A 795 7.435 -6.410 -1.811 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.185 -6.989 -0.414 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.392 -5.228 -1.736 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.437 -6.052 0.514 1.00 0.32 C ATOM 0 H ILE A 795 5.685 -8.052 -2.441 1.00 0.19 H new ATOM 0 HA ILE A 795 5.551 -5.360 -1.776 1.00 0.22 H new ATOM 0 HB ILE A 795 7.897 -7.178 -2.431 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.620 -7.916 -0.511 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.143 -7.246 0.039 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.325 -5.544 -1.270 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.595 -4.860 -2.742 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.942 -4.432 -1.143 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.299 -6.533 1.482 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.010 -5.134 0.643 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.464 -5.815 0.084 1.00 0.32 H new ATOM 335 N MET A 796 6.380 -5.882 -4.885 1.00 0.23 N ATOM 336 CA MET A 796 6.614 -5.205 -6.158 1.00 0.26 C ATOM 337 C MET A 796 5.444 -4.291 -6.494 1.00 0.23 C ATOM 338 O MET A 796 5.630 -3.103 -6.752 1.00 0.22 O ATOM 339 CB MET A 796 6.819 -6.214 -7.289 1.00 0.36 C ATOM 340 CG MET A 796 7.626 -7.435 -6.884 1.00 0.46 C ATOM 341 SD MET A 796 8.209 -8.384 -8.302 1.00 0.67 S ATOM 342 CE MET A 796 9.384 -9.482 -7.515 1.00 1.53 C ATOM 0 H MET A 796 6.232 -6.889 -4.959 1.00 0.23 H new ATOM 0 HA MET A 796 7.521 -4.609 -6.057 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.845 -6.539 -7.654 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.321 -5.718 -8.119 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.481 -7.119 -6.287 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.014 -8.076 -6.249 1.00 0.46 H new ATOM 0 HE1 MET A 796 9.844 -10.122 -8.268 1.00 1.53 H new ATOM 0 HE2 MET A 796 10.155 -8.894 -7.018 1.00 1.53 H new ATOM 0 HE3 MET A 796 8.869 -10.100 -6.779 1.00 1.53 H new ATOM 352 N ALA A 797 4.238 -4.854 -6.483 1.00 0.26 N ATOM 353 CA ALA A 797 3.035 -4.086 -6.776 1.00 0.30 C ATOM 354 C ALA A 797 2.973 -2.851 -5.888 1.00 0.28 C ATOM 355 O ALA A 797 2.865 -1.725 -6.375 1.00 0.30 O ATOM 356 CB ALA A 797 1.798 -4.949 -6.581 1.00 0.38 C ATOM 0 H ALA A 797 4.070 -5.838 -6.274 1.00 0.26 H new ATOM 0 HA ALA A 797 3.067 -3.763 -7.817 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.906 -4.363 -6.803 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.844 -5.808 -7.251 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.756 -5.296 -5.549 1.00 0.38 H new ATOM 362 N ILE A 798 3.065 -3.074 -4.581 1.00 0.27 N ATOM 363 CA ILE A 798 3.044 -1.988 -3.618 1.00 0.31 C ATOM 364 C ILE A 798 4.137 -0.977 -3.936 1.00 0.29 C ATOM 365 O ILE A 798 3.882 0.222 -4.023 1.00 0.33 O ATOM 366 CB ILE A 798 3.249 -2.510 -2.188 1.00 0.35 C ATOM 367 CG1 ILE A 798 2.037 -3.339 -1.755 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.499 -1.355 -1.228 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.171 -3.941 -0.371 1.00 0.50 C ATOM 0 H ILE A 798 3.155 -4.002 -4.167 1.00 0.27 H new ATOM 0 HA ILE A 798 2.067 -1.510 -3.684 1.00 0.31 H new ATOM 0 HB ILE A 798 4.128 -3.154 -2.168 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.149 -2.708 -1.782 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.881 -4.141 -2.476 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.642 -1.744 -0.220 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.392 -0.812 -1.537 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.642 -0.681 -1.239 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.274 -4.514 -0.135 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.039 -4.599 -0.343 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.296 -3.144 0.362 1.00 0.50 H new ATOM 381 N ASN A 799 5.355 -1.481 -4.103 1.00 0.25 N ATOM 382 CA ASN A 799 6.500 -0.634 -4.409 1.00 0.29 C ATOM 383 C ASN A 799 6.255 0.199 -5.665 1.00 0.27 C ATOM 384 O ASN A 799 6.803 1.292 -5.813 1.00 0.36 O ATOM 385 CB ASN A 799 7.754 -1.483 -4.593 1.00 0.30 C ATOM 386 CG ASN A 799 8.972 -0.866 -3.935 1.00 0.38 C ATOM 387 OD1 ASN A 799 10.021 -0.712 -4.561 1.00 0.81 O ATOM 388 ND2 ASN A 799 8.837 -0.505 -2.663 1.00 0.78 N ATOM 0 H ASN A 799 5.574 -2.475 -4.031 1.00 0.25 H new ATOM 0 HA ASN A 799 6.643 0.045 -3.568 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.582 -2.475 -4.175 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.947 -1.615 -5.658 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.621 -0.082 -2.167 1.00 0.78 H new ATOM 0 HD22 ASN A 799 7.949 -0.651 -2.183 1.00 0.78 H new ATOM 395 N SER A 800 5.433 -0.325 -6.567 1.00 0.22 N ATOM 396 CA SER A 800 5.118 0.370 -7.812 1.00 0.25 C ATOM 397 C SER A 800 4.112 1.488 -7.570 1.00 0.28 C ATOM 398 O SER A 800 4.028 2.440 -8.347 1.00 0.33 O ATOM 399 CB SER A 800 4.569 -0.614 -8.845 1.00 0.28 C ATOM 400 OG SER A 800 4.214 0.054 -10.046 1.00 0.98 O ATOM 0 H SER A 800 4.972 -1.229 -6.461 1.00 0.22 H new ATOM 0 HA SER A 800 6.038 0.811 -8.196 1.00 0.25 H new ATOM 0 HB2 SER A 800 5.316 -1.378 -9.057 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.697 -1.125 -8.438 1.00 0.28 H new ATOM 0 HG SER A 800 3.867 -0.596 -10.692 1.00 0.98 H new ATOM 406 N LYS A 801 3.345 1.364 -6.493 1.00 0.30 N ATOM 407 CA LYS A 801 2.338 2.363 -6.155 1.00 0.37 C ATOM 408 C LYS A 801 2.789 3.236 -4.985 1.00 0.40 C ATOM 409 O LYS A 801 2.064 4.134 -4.558 1.00 0.49 O ATOM 410 CB LYS A 801 1.011 1.680 -5.817 1.00 0.42 C ATOM 411 CG LYS A 801 0.273 1.151 -7.035 1.00 0.67 C ATOM 412 CD LYS A 801 -0.752 2.152 -7.545 1.00 1.05 C ATOM 413 CE LYS A 801 -0.301 2.796 -8.845 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.407 4.281 -8.795 1.00 2.25 N ATOM 0 H LYS A 801 3.401 0.583 -5.840 1.00 0.30 H new ATOM 0 HA LYS A 801 2.202 3.007 -7.023 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.201 0.855 -5.131 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.370 2.389 -5.293 1.00 0.42 H new ATOM 0 HG2 LYS A 801 0.989 0.927 -7.826 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.226 0.215 -6.781 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -1.707 1.650 -7.698 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.915 2.924 -6.792 1.00 1.05 H new ATOM 0 HE2 LYS A 801 0.731 2.512 -9.052 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -0.907 2.416 -9.668 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 0.149 4.695 -9.570 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -1.403 4.561 -8.896 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -0.041 4.625 -7.884 1.00 2.25 H new ATOM 428 N ILE A 802 3.988 2.970 -4.471 1.00 0.39 N ATOM 429 CA ILE A 802 4.524 3.742 -3.351 1.00 0.45 C ATOM 430 C ILE A 802 5.837 4.424 -3.723 1.00 0.50 C ATOM 431 O ILE A 802 6.231 5.410 -3.101 1.00 0.60 O ATOM 432 CB ILE A 802 4.751 2.859 -2.107 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.827 1.810 -2.377 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.452 2.193 -1.680 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.827 1.668 -1.251 1.00 0.75 C ATOM 0 H ILE A 802 4.604 2.231 -4.809 1.00 0.39 H new ATOM 0 HA ILE A 802 3.779 4.502 -3.115 1.00 0.45 H new ATOM 0 HB ILE A 802 5.094 3.498 -1.294 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.348 0.846 -2.551 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.357 2.072 -3.292 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.632 1.574 -0.801 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.713 2.957 -1.440 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.079 1.569 -2.492 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.562 0.906 -1.511 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.333 2.620 -1.091 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.308 1.375 -0.338 1.00 0.75 H new ATOM 447 N SER A 803 6.511 3.894 -4.739 1.00 0.45 N ATOM 448 CA SER A 803 7.780 4.455 -5.188 1.00 0.53 C ATOM 449 C SER A 803 7.842 4.517 -6.712 1.00 0.61 C ATOM 450 O SER A 803 8.880 4.235 -7.314 1.00 1.19 O ATOM 451 CB SER A 803 8.946 3.625 -4.649 1.00 0.60 C ATOM 452 OG SER A 803 10.177 4.312 -4.804 1.00 1.53 O ATOM 0 H SER A 803 6.200 3.078 -5.266 1.00 0.45 H new ATOM 0 HA SER A 803 7.857 5.471 -4.801 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.781 3.402 -3.595 1.00 0.60 H new ATOM 0 HB3 SER A 803 8.990 2.671 -5.174 1.00 0.60 H new ATOM 0 HG SER A 803 10.295 4.563 -5.744 1.00 1.53 H new ATOM 458 N ASN A 804 6.726 4.890 -7.332 1.00 0.84 N ATOM 459 CA ASN A 804 6.654 4.991 -8.785 1.00 0.93 C ATOM 460 C ASN A 804 5.412 5.763 -9.219 1.00 1.53 C ATOM 461 O ASN A 804 4.903 5.570 -10.322 1.00 2.42 O ATOM 462 CB ASN A 804 6.649 3.597 -9.415 1.00 1.40 C ATOM 463 CG ASN A 804 7.523 3.520 -10.652 1.00 2.04 C ATOM 464 OD1 ASN A 804 7.111 3.914 -11.743 1.00 2.43 O ATOM 465 ND2 ASN A 804 8.737 3.009 -10.487 1.00 2.83 N ATOM 0 H ASN A 804 5.859 5.127 -6.850 1.00 0.84 H new ATOM 0 HA ASN A 804 7.534 5.535 -9.129 1.00 0.93 H new ATOM 0 HB2 ASN A 804 6.996 2.869 -8.682 1.00 1.40 H new ATOM 0 HB3 ASN A 804 5.627 3.323 -9.678 1.00 1.40 H new ATOM 0 HD21 ASN A 804 9.370 2.931 -11.283 1.00 2.83 H new ATOM 0 HD22 ASN A 804 9.037 2.695 -9.564 1.00 2.83 H new ATOM 472 N THR A 805 4.932 6.640 -8.343 1.00 1.86 N ATOM 473 CA THR A 805 3.750 7.443 -8.635 1.00 2.72 C ATOM 474 C THR A 805 4.130 8.894 -8.910 1.00 3.19 C ATOM 475 O THR A 805 3.940 9.396 -10.019 1.00 3.83 O ATOM 476 CB THR A 805 2.738 7.399 -7.476 1.00 3.49 C ATOM 477 OG1 THR A 805 3.117 6.393 -6.530 1.00 3.73 O ATOM 478 CG2 THR A 805 1.336 7.113 -7.993 1.00 4.20 C ATOM 0 H THR A 805 5.343 6.813 -7.426 1.00 1.86 H new ATOM 0 HA THR A 805 3.287 7.015 -9.524 1.00 2.72 H new ATOM 0 HB THR A 805 2.737 8.373 -6.987 1.00 3.49 H new ATOM 0 HG1 THR A 805 2.468 6.373 -5.796 1.00 3.73 H new ATOM 0 HG21 THR A 805 0.638 7.087 -7.156 1.00 4.20 H new ATOM 0 HG22 THR A 805 1.038 7.897 -8.689 1.00 4.20 H new ATOM 0 HG23 THR A 805 1.326 6.150 -8.504 1.00 4.20 H new ATOM 486 N HIS A 806 4.669 9.564 -7.896 1.00 3.41 N ATOM 487 CA HIS A 806 5.077 10.957 -8.030 1.00 4.17 C ATOM 488 C HIS A 806 6.501 11.056 -8.570 1.00 4.02 C ATOM 489 O HIS A 806 7.211 10.055 -8.661 1.00 4.30 O ATOM 490 CB HIS A 806 4.980 11.674 -6.681 1.00 5.13 C ATOM 491 CG HIS A 806 3.783 12.567 -6.556 1.00 6.08 C ATOM 492 ND1 HIS A 806 3.656 13.521 -5.569 1.00 6.75 N ATOM 493 CD2 HIS A 806 2.655 12.654 -7.304 1.00 6.77 C ATOM 494 CE1 HIS A 806 2.505 14.153 -5.713 1.00 7.67 C ATOM 495 NE2 HIS A 806 1.880 13.646 -6.759 1.00 7.69 N ATOM 0 H HIS A 806 4.833 9.164 -6.972 1.00 3.41 H new ATOM 0 HA HIS A 806 4.403 11.440 -8.738 1.00 4.17 H new ATOM 0 HB2 HIS A 806 4.951 10.929 -5.885 1.00 5.13 H new ATOM 0 HB3 HIS A 806 5.882 12.267 -6.530 1.00 5.13 H new ATOM 0 HD2 HIS A 806 2.412 12.054 -8.168 1.00 6.77 H new ATOM 0 HE1 HIS A 806 2.138 14.949 -5.082 1.00 7.67 H new ATOM 0 HE2 HIS A 806 0.968 13.944 -7.106 1.00 7.69 H new ATOM 504 N ASN A 807 6.910 12.269 -8.927 1.00 4.10 N ATOM 505 CA ASN A 807 8.249 12.502 -9.459 1.00 4.41 C ATOM 506 C ASN A 807 8.980 13.572 -8.652 1.00 4.33 C ATOM 507 O ASN A 807 9.098 14.718 -9.085 1.00 4.37 O ATOM 508 CB ASN A 807 8.169 12.919 -10.928 1.00 4.84 C ATOM 509 CG ASN A 807 7.730 11.781 -11.829 1.00 5.63 C ATOM 510 OD1 ASN A 807 8.541 11.192 -12.545 1.00 6.02 O ATOM 511 ND2 ASN A 807 6.440 11.466 -11.799 1.00 6.22 N ATOM 0 H ASN A 807 6.333 13.107 -8.858 1.00 4.10 H new ATOM 0 HA ASN A 807 8.811 11.571 -9.382 1.00 4.41 H new ATOM 0 HB2 ASN A 807 7.470 13.749 -11.030 1.00 4.84 H new ATOM 0 HB3 ASN A 807 9.144 13.281 -11.254 1.00 4.84 H new ATOM 0 HD21 ASN A 807 6.086 10.709 -12.384 1.00 6.22 H new ATOM 0 HD22 ASN A 807 5.803 11.981 -11.191 1.00 6.22 H new ATOM 518 N ASN A 808 9.470 13.188 -7.477 1.00 4.61 N ATOM 519 CA ASN A 808 10.190 14.113 -6.608 1.00 4.89 C ATOM 520 C ASN A 808 11.084 13.357 -5.631 1.00 4.54 C ATOM 521 O ASN A 808 12.309 13.429 -5.713 1.00 4.85 O ATOM 522 CB ASN A 808 9.204 14.995 -5.840 1.00 5.45 C ATOM 523 CG ASN A 808 9.170 16.416 -6.368 1.00 6.15 C ATOM 524 OD1 ASN A 808 8.109 16.941 -6.703 1.00 6.37 O ATOM 525 ND2 ASN A 808 10.337 17.045 -6.445 1.00 6.83 N ATOM 0 H ASN A 808 9.382 12.242 -7.105 1.00 4.61 H new ATOM 0 HA ASN A 808 10.821 14.745 -7.233 1.00 4.89 H new ATOM 0 HB2 ASN A 808 8.206 14.562 -5.905 1.00 5.45 H new ATOM 0 HB3 ASN A 808 9.478 15.008 -4.785 1.00 5.45 H new ATOM 0 HD21 ASN A 808 10.378 18.003 -6.793 1.00 6.83 H new ATOM 0 HD22 ASN A 808 11.192 16.570 -6.156 1.00 6.83 H new ATOM 532 N ASN A 809 10.460 12.633 -4.707 1.00 4.24 N ATOM 533 CA ASN A 809 11.200 11.863 -3.713 1.00 4.01 C ATOM 534 C ASN A 809 10.706 10.420 -3.666 1.00 3.02 C ATOM 535 O ASN A 809 9.505 10.162 -3.729 1.00 3.13 O ATOM 536 CB ASN A 809 11.060 12.508 -2.333 1.00 4.74 C ATOM 537 CG ASN A 809 11.909 11.815 -1.284 1.00 5.63 C ATOM 538 OD1 ASN A 809 11.439 10.920 -0.583 1.00 5.91 O ATOM 539 ND2 ASN A 809 13.165 12.229 -1.172 1.00 6.41 N ATOM 0 H ASN A 809 9.446 12.563 -4.626 1.00 4.24 H new ATOM 0 HA ASN A 809 12.252 11.859 -4.000 1.00 4.01 H new ATOM 0 HB2 ASN A 809 11.347 13.558 -2.394 1.00 4.74 H new ATOM 0 HB3 ASN A 809 10.014 12.481 -2.026 1.00 4.74 H new ATOM 0 HD21 ASN A 809 13.783 11.801 -0.483 1.00 6.41 H new ATOM 0 HD22 ASN A 809 13.512 12.975 -1.775 1.00 6.41 H new ATOM 546 N ILE A 810 11.643 9.484 -3.553 1.00 2.60 N ATOM 547 CA ILE A 810 11.305 8.066 -3.494 1.00 2.14 C ATOM 548 C ILE A 810 11.409 7.535 -2.069 1.00 1.67 C ATOM 549 O ILE A 810 12.204 8.029 -1.270 1.00 2.29 O ATOM 550 CB ILE A 810 12.219 7.231 -4.412 1.00 3.00 C ATOM 551 CG1 ILE A 810 13.684 7.416 -4.015 1.00 3.79 C ATOM 552 CG2 ILE A 810 12.005 7.618 -5.868 1.00 3.71 C ATOM 553 CD1 ILE A 810 14.412 6.114 -3.766 1.00 4.78 C ATOM 0 H ILE A 810 12.642 9.682 -3.500 1.00 2.60 H new ATOM 0 HA ILE A 810 10.275 7.972 -3.839 1.00 2.14 H new ATOM 0 HB ILE A 810 11.961 6.178 -4.295 1.00 3.00 H new ATOM 0 HG12 ILE A 810 14.199 7.966 -4.803 1.00 3.79 H new ATOM 0 HG13 ILE A 810 13.733 8.028 -3.115 1.00 3.79 H new ATOM 0 HG21 ILE A 810 12.658 7.019 -6.503 1.00 3.71 H new ATOM 0 HG22 ILE A 810 10.966 7.438 -6.143 1.00 3.71 H new ATOM 0 HG23 ILE A 810 12.238 8.674 -6.002 1.00 3.71 H new ATOM 0 HD11 ILE A 810 15.445 6.322 -3.489 1.00 4.78 H new ATOM 0 HD12 ILE A 810 13.922 5.572 -2.957 1.00 4.78 H new ATOM 0 HD13 ILE A 810 14.394 5.508 -4.672 1.00 4.78 H new ATOM 565 N SER A 811 10.600 6.529 -1.758 1.00 1.31 N ATOM 566 CA SER A 811 10.598 5.930 -0.428 1.00 0.97 C ATOM 567 C SER A 811 10.138 4.474 -0.484 1.00 0.83 C ATOM 568 O SER A 811 8.950 4.187 -0.339 1.00 0.94 O ATOM 569 CB SER A 811 9.689 6.728 0.509 1.00 1.31 C ATOM 570 OG SER A 811 10.449 7.510 1.415 1.00 1.80 O ATOM 0 H SER A 811 9.936 6.110 -2.409 1.00 1.31 H new ATOM 0 HA SER A 811 11.618 5.954 -0.044 1.00 0.97 H new ATOM 0 HB2 SER A 811 9.037 7.376 -0.077 1.00 1.31 H new ATOM 0 HB3 SER A 811 9.045 6.046 1.064 1.00 1.31 H new ATOM 0 HG SER A 811 9.845 8.011 2.001 1.00 1.80 H new ATOM 576 N PRO A 812 11.075 3.531 -0.697 1.00 0.70 N ATOM 577 CA PRO A 812 10.752 2.103 -0.769 1.00 0.66 C ATOM 578 C PRO A 812 10.495 1.499 0.607 1.00 0.62 C ATOM 579 O PRO A 812 11.211 1.788 1.567 1.00 0.73 O ATOM 580 CB PRO A 812 12.002 1.497 -1.392 1.00 0.70 C ATOM 581 CG PRO A 812 13.108 2.390 -0.947 1.00 0.95 C ATOM 582 CD PRO A 812 12.521 3.776 -0.879 1.00 0.77 C ATOM 0 HA PRO A 812 9.840 1.915 -1.336 1.00 0.66 H new ATOM 0 HB2 PRO A 812 12.158 0.473 -1.054 1.00 0.70 H new ATOM 0 HB3 PRO A 812 11.929 1.466 -2.479 1.00 0.70 H new ATOM 0 HG2 PRO A 812 13.492 2.081 0.025 1.00 0.95 H new ATOM 0 HG3 PRO A 812 13.944 2.354 -1.646 1.00 0.95 H new ATOM 0 HD2 PRO A 812 12.938 4.348 -0.050 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.721 4.341 -1.789 1.00 0.77 H new ATOM 590 N ILE A 813 9.465 0.664 0.695 1.00 0.62 N ATOM 591 CA ILE A 813 9.106 0.019 1.954 1.00 0.61 C ATOM 592 C ILE A 813 9.037 -1.497 1.801 1.00 0.59 C ATOM 593 O ILE A 813 8.707 -2.009 0.733 1.00 0.75 O ATOM 594 CB ILE A 813 7.749 0.530 2.477 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.547 2.000 2.095 1.00 1.22 C ATOM 596 CG2 ILE A 813 7.663 0.349 3.985 1.00 1.05 C ATOM 597 CD1 ILE A 813 6.220 2.569 2.546 1.00 1.94 C ATOM 0 H ILE A 813 8.863 0.418 -0.091 1.00 0.62 H new ATOM 0 HA ILE A 813 9.887 0.272 2.671 1.00 0.61 H new ATOM 0 HB ILE A 813 6.954 -0.055 2.014 1.00 0.70 H new ATOM 0 HG12 ILE A 813 8.353 2.593 2.528 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.625 2.099 1.012 1.00 1.22 H new ATOM 0 HG21 ILE A 813 6.700 0.714 4.341 1.00 1.05 H new ATOM 0 HG22 ILE A 813 7.764 -0.708 4.231 1.00 1.05 H new ATOM 0 HG23 ILE A 813 8.464 0.911 4.465 1.00 1.05 H new ATOM 0 HD11 ILE A 813 6.149 3.613 2.240 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.408 2.002 2.092 1.00 1.94 H new ATOM 0 HD13 ILE A 813 6.146 2.503 3.631 1.00 1.94 H new ATOM 609 N THR A 814 9.349 -2.207 2.882 1.00 0.49 N ATOM 610 CA THR A 814 9.318 -3.667 2.875 1.00 0.49 C ATOM 611 C THR A 814 8.384 -4.195 3.959 1.00 0.47 C ATOM 612 O THR A 814 7.590 -5.105 3.720 1.00 0.54 O ATOM 613 CB THR A 814 10.723 -4.261 3.086 1.00 0.53 C ATOM 614 OG1 THR A 814 11.439 -3.497 4.064 1.00 1.16 O ATOM 615 CG2 THR A 814 11.502 -4.279 1.780 1.00 1.07 C ATOM 0 H THR A 814 9.626 -1.796 3.773 1.00 0.49 H new ATOM 0 HA THR A 814 8.949 -3.974 1.896 1.00 0.49 H new ATOM 0 HB THR A 814 10.610 -5.286 3.440 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.330 -3.883 4.192 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.491 -4.702 1.952 1.00 1.07 H new ATOM 0 HG22 THR A 814 10.970 -4.886 1.047 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.604 -3.261 1.403 1.00 1.07 H new ATOM 623 N LYS A 815 8.483 -3.614 5.151 1.00 0.42 N ATOM 624 CA LYS A 815 7.647 -4.018 6.274 1.00 0.42 C ATOM 625 C LYS A 815 6.415 -3.125 6.378 1.00 0.40 C ATOM 626 O LYS A 815 6.523 -1.899 6.350 1.00 0.48 O ATOM 627 CB LYS A 815 8.445 -3.959 7.577 1.00 0.49 C ATOM 628 CG LYS A 815 8.634 -5.315 8.238 1.00 0.89 C ATOM 629 CD LYS A 815 8.783 -5.182 9.745 1.00 1.30 C ATOM 630 CE LYS A 815 10.222 -5.395 10.182 1.00 1.97 C ATOM 631 NZ LYS A 815 10.307 -6.058 11.513 1.00 2.69 N ATOM 0 H LYS A 815 9.136 -2.860 5.363 1.00 0.42 H new ATOM 0 HA LYS A 815 7.320 -5.044 6.104 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.423 -3.524 7.374 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.937 -3.292 8.274 1.00 0.49 H new ATOM 0 HG2 LYS A 815 7.781 -5.954 8.010 1.00 0.89 H new ATOM 0 HG3 LYS A 815 9.517 -5.803 7.825 1.00 0.89 H new ATOM 0 HD2 LYS A 815 8.449 -4.193 10.059 1.00 1.30 H new ATOM 0 HD3 LYS A 815 8.139 -5.909 10.241 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.740 -6.003 9.440 1.00 1.97 H new ATOM 0 HE3 LYS A 815 10.735 -4.434 10.222 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 11.306 -6.185 11.774 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 9.835 -5.466 12.226 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 9.840 -6.986 11.469 1.00 2.69 H new ATOM 645 N ILE A 816 5.244 -3.745 6.493 1.00 0.36 N ATOM 646 CA ILE A 816 3.993 -2.999 6.594 1.00 0.38 C ATOM 647 C ILE A 816 2.938 -3.783 7.369 1.00 0.33 C ATOM 648 O ILE A 816 3.103 -4.972 7.637 1.00 0.37 O ATOM 649 CB ILE A 816 3.430 -2.650 5.202 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.919 -3.652 4.154 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.826 -1.233 4.814 1.00 0.84 C ATOM 652 CD1 ILE A 816 3.110 -4.931 4.110 1.00 0.53 C ATOM 0 H ILE A 816 5.135 -4.759 6.519 1.00 0.36 H new ATOM 0 HA ILE A 816 4.223 -2.078 7.130 1.00 0.38 H new ATOM 0 HB ILE A 816 2.342 -2.708 5.244 1.00 0.41 H new ATOM 0 HG12 ILE A 816 3.890 -3.180 3.172 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.961 -3.899 4.358 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.422 -0.999 3.829 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.427 -0.530 5.546 1.00 0.84 H new ATOM 0 HG23 ILE A 816 4.913 -1.153 4.789 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.516 -5.592 3.344 1.00 0.53 H new ATOM 0 HD12 ILE A 816 3.159 -5.426 5.080 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.072 -4.697 3.875 1.00 0.53 H new ATOM 664 N LYS A 817 1.852 -3.101 7.719 1.00 0.32 N ATOM 665 CA LYS A 817 0.757 -3.719 8.459 1.00 0.31 C ATOM 666 C LYS A 817 -0.500 -3.780 7.596 1.00 0.32 C ATOM 667 O LYS A 817 -0.831 -2.818 6.903 1.00 0.59 O ATOM 668 CB LYS A 817 0.474 -2.938 9.742 1.00 0.37 C ATOM 669 CG LYS A 817 1.530 -3.133 10.817 1.00 0.39 C ATOM 670 CD LYS A 817 0.934 -3.728 12.081 1.00 0.38 C ATOM 671 CE LYS A 817 1.826 -3.484 13.287 1.00 0.50 C ATOM 672 NZ LYS A 817 1.103 -3.709 14.569 1.00 0.85 N ATOM 0 H LYS A 817 1.706 -2.115 7.501 1.00 0.32 H new ATOM 0 HA LYS A 817 1.050 -4.735 8.724 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.402 -1.877 9.503 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.495 -3.243 10.137 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.317 -3.787 10.441 1.00 0.39 H new ATOM 0 HG3 LYS A 817 1.996 -2.175 11.049 1.00 0.39 H new ATOM 0 HD2 LYS A 817 -0.049 -3.293 12.261 1.00 0.38 H new ATOM 0 HD3 LYS A 817 0.788 -4.800 11.946 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.691 -4.145 13.238 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.204 -2.462 13.258 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 1.782 -3.699 15.357 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.400 -2.955 14.708 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 0.621 -4.630 14.539 1.00 0.85 H new ATOM 686 N TYR A 818 -1.193 -4.913 7.636 1.00 0.23 N ATOM 687 CA TYR A 818 -2.410 -5.083 6.847 1.00 0.22 C ATOM 688 C TYR A 818 -3.634 -5.238 7.744 1.00 0.23 C ATOM 689 O TYR A 818 -3.513 -5.332 8.963 1.00 0.31 O ATOM 690 CB TYR A 818 -2.277 -6.285 5.907 1.00 0.26 C ATOM 691 CG TYR A 818 -2.293 -7.631 6.602 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.290 -7.989 7.493 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.308 -8.547 6.355 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.297 -9.222 8.119 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.323 -9.780 6.977 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.316 -10.113 7.857 1.00 0.56 C ATOM 697 OH TYR A 818 -2.327 -11.342 8.477 1.00 0.71 O ATOM 0 H TYR A 818 -0.936 -5.722 8.201 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.548 -4.184 6.246 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -3.090 -6.255 5.182 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.347 -6.191 5.347 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.491 -7.293 7.701 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.098 -8.291 5.665 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.509 -9.485 8.809 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.120 -10.480 6.775 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.247 -11.580 8.714 1.00 0.71 H new ATOM 707 N GLN A 819 -4.810 -5.261 7.128 1.00 0.27 N ATOM 708 CA GLN A 819 -6.058 -5.397 7.862 1.00 0.34 C ATOM 709 C GLN A 819 -6.561 -6.834 7.798 1.00 0.40 C ATOM 710 O GLN A 819 -7.018 -7.299 6.755 1.00 0.45 O ATOM 711 CB GLN A 819 -7.112 -4.443 7.296 1.00 0.44 C ATOM 712 CG GLN A 819 -8.475 -4.580 7.955 1.00 0.56 C ATOM 713 CD GLN A 819 -9.531 -5.121 7.011 1.00 1.14 C ATOM 714 OE1 GLN A 819 -9.236 -5.490 5.874 1.00 1.91 O ATOM 715 NE2 GLN A 819 -10.772 -5.168 7.479 1.00 1.44 N ATOM 0 H GLN A 819 -4.923 -5.187 6.117 1.00 0.27 H new ATOM 0 HA GLN A 819 -5.875 -5.140 8.905 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.762 -3.417 7.414 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.216 -4.623 6.226 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.392 -5.241 8.818 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.792 -3.607 8.329 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -10.971 -4.852 8.428 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -11.526 -5.520 6.890 1.00 1.44 H new ATOM 724 N ASP A 820 -6.468 -7.529 8.923 1.00 0.43 N ATOM 725 CA ASP A 820 -6.910 -8.917 9.002 1.00 0.53 C ATOM 726 C ASP A 820 -8.426 -8.996 9.142 1.00 0.62 C ATOM 727 O ASP A 820 -9.099 -7.974 9.293 1.00 0.65 O ATOM 728 CB ASP A 820 -6.239 -9.623 10.182 1.00 0.58 C ATOM 729 CG ASP A 820 -6.032 -11.104 9.932 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.388 -11.450 8.918 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.514 -11.917 10.748 1.00 1.34 O ATOM 0 H ASP A 820 -6.091 -7.156 9.794 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.621 -9.418 8.078 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.276 -9.154 10.382 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.850 -9.491 11.075 1.00 0.58 H new ATOM 736 N GLU A 821 -8.958 -10.212 9.091 1.00 0.71 N ATOM 737 CA GLU A 821 -10.398 -10.425 9.209 1.00 0.82 C ATOM 738 C GLU A 821 -10.856 -10.282 10.657 1.00 0.83 C ATOM 739 O GLU A 821 -11.997 -10.603 10.992 1.00 0.97 O ATOM 740 CB GLU A 821 -10.776 -11.808 8.675 1.00 0.96 C ATOM 741 CG GLU A 821 -10.023 -12.947 9.345 1.00 1.10 C ATOM 742 CD GLU A 821 -10.940 -13.884 10.106 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.658 -13.408 11.009 1.00 1.53 O ATOM 744 OE2 GLU A 821 -10.940 -15.095 9.797 1.00 1.62 O ATOM 0 H GLU A 821 -8.415 -11.066 8.969 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.901 -9.663 8.613 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.846 -11.961 8.812 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -10.585 -11.839 7.602 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -9.479 -13.512 8.589 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -9.282 -12.535 10.030 1.00 1.10 H new ATOM 751 N ASP A 822 -9.961 -9.797 11.512 1.00 0.79 N ATOM 752 CA ASP A 822 -10.273 -9.609 12.924 1.00 0.81 C ATOM 753 C ASP A 822 -10.610 -8.150 13.216 1.00 0.73 C ATOM 754 O ASP A 822 -10.713 -7.747 14.375 1.00 0.78 O ATOM 755 CB ASP A 822 -9.097 -10.058 13.793 1.00 0.86 C ATOM 756 CG ASP A 822 -9.536 -10.927 14.955 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.473 -11.733 14.775 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.942 -10.800 16.048 1.00 1.56 O ATOM 0 H ASP A 822 -9.013 -9.527 11.251 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.144 -10.219 13.163 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.385 -10.609 13.179 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -8.576 -9.181 14.176 1.00 0.86 H new ATOM 763 N GLY A 823 -10.777 -7.363 12.157 1.00 0.68 N ATOM 764 CA GLY A 823 -11.099 -5.955 12.318 1.00 0.70 C ATOM 765 C GLY A 823 -10.016 -5.194 13.055 1.00 0.67 C ATOM 766 O GLY A 823 -10.295 -4.495 14.030 1.00 0.88 O ATOM 0 H GLY A 823 -10.695 -7.675 11.189 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -11.251 -5.506 11.337 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -12.039 -5.860 12.861 1.00 0.70 H new ATOM 770 N ASP A 824 -8.776 -5.330 12.586 1.00 0.54 N ATOM 771 CA ASP A 824 -7.644 -4.656 13.200 1.00 0.57 C ATOM 772 C ASP A 824 -6.365 -4.953 12.427 1.00 0.55 C ATOM 773 O ASP A 824 -6.156 -6.071 11.949 1.00 0.93 O ATOM 774 CB ASP A 824 -7.479 -5.095 14.657 1.00 0.65 C ATOM 775 CG ASP A 824 -7.289 -3.920 15.596 1.00 1.15 C ATOM 776 OD1 ASP A 824 -8.117 -2.987 15.556 1.00 1.86 O ATOM 777 OD2 ASP A 824 -6.309 -3.932 16.372 1.00 1.48 O ATOM 0 H ASP A 824 -8.534 -5.905 11.779 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.835 -3.583 13.175 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.357 -5.664 14.964 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.622 -5.763 14.738 1.00 0.65 H new ATOM 782 N PHE A 825 -5.514 -3.944 12.309 1.00 0.42 N ATOM 783 CA PHE A 825 -4.251 -4.091 11.599 1.00 0.37 C ATOM 784 C PHE A 825 -3.334 -5.057 12.337 1.00 0.38 C ATOM 785 O PHE A 825 -3.300 -5.079 13.569 1.00 0.44 O ATOM 786 CB PHE A 825 -3.559 -2.734 11.441 1.00 0.39 C ATOM 787 CG PHE A 825 -4.205 -1.846 10.415 1.00 0.41 C ATOM 788 CD1 PHE A 825 -3.989 -2.057 9.062 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.026 -0.800 10.806 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.582 -1.242 8.118 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.620 0.019 9.865 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.397 -0.201 8.519 1.00 0.52 C ATOM 0 H PHE A 825 -5.675 -3.014 12.696 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.464 -4.493 10.608 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.557 -2.222 12.403 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.517 -2.897 11.165 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.350 -2.867 8.743 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.203 -0.623 11.857 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.409 -1.418 7.067 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.258 0.831 10.181 1.00 0.64 H new ATOM 0 HZ PHE A 825 -5.859 0.439 7.782 1.00 0.52 H new ATOM 802 N VAL A 826 -2.591 -5.854 11.580 1.00 0.38 N ATOM 803 CA VAL A 826 -1.675 -6.824 12.161 1.00 0.45 C ATOM 804 C VAL A 826 -0.317 -6.753 11.474 1.00 0.36 C ATOM 805 O VAL A 826 -0.150 -6.039 10.484 1.00 0.31 O ATOM 806 CB VAL A 826 -2.235 -8.255 12.056 1.00 0.54 C ATOM 807 CG1 VAL A 826 -3.099 -8.583 13.264 1.00 0.97 C ATOM 808 CG2 VAL A 826 -3.031 -8.422 10.774 1.00 0.79 C ATOM 0 H VAL A 826 -2.606 -5.847 10.560 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.558 -6.576 13.216 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.396 -8.950 12.035 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.485 -9.598 13.170 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.500 -8.505 14.172 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.932 -7.882 13.317 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.419 -9.439 10.717 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.861 -7.716 10.767 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -2.385 -8.231 9.917 1.00 0.79 H new ATOM 818 N VAL A 827 0.656 -7.488 12.005 1.00 0.37 N ATOM 819 CA VAL A 827 2.002 -7.488 11.442 1.00 0.33 C ATOM 820 C VAL A 827 2.227 -8.693 10.539 1.00 0.30 C ATOM 821 O VAL A 827 2.245 -9.835 11.000 1.00 0.35 O ATOM 822 CB VAL A 827 3.079 -7.479 12.544 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.261 -6.616 12.130 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.498 -6.996 13.865 1.00 0.56 C ATOM 0 H VAL A 827 0.538 -8.089 12.821 1.00 0.37 H new ATOM 0 HA VAL A 827 2.090 -6.576 10.852 1.00 0.33 H new ATOM 0 HB VAL A 827 3.432 -8.501 12.683 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.011 -6.622 12.921 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.697 -7.012 11.213 1.00 0.52 H new ATOM 0 HG13 VAL A 827 3.923 -5.594 11.959 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.277 -6.998 14.628 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.111 -5.984 13.744 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.689 -7.659 14.171 1.00 0.56 H new ATOM 834 N LEU A 828 2.402 -8.424 9.249 1.00 0.26 N ATOM 835 CA LEU A 828 2.632 -9.477 8.266 1.00 0.28 C ATOM 836 C LEU A 828 4.087 -9.930 8.283 1.00 0.46 C ATOM 837 O LEU A 828 4.992 -9.154 7.969 1.00 0.60 O ATOM 838 CB LEU A 828 2.255 -8.984 6.867 1.00 0.31 C ATOM 839 CG LEU A 828 2.227 -10.065 5.785 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.977 -9.927 4.929 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.476 -9.987 4.922 1.00 0.81 C ATOM 0 H LEU A 828 2.389 -7.482 8.859 1.00 0.26 H new ATOM 0 HA LEU A 828 2.004 -10.329 8.527 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.272 -8.515 6.916 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.962 -8.211 6.568 1.00 0.31 H new ATOM 0 HG LEU A 828 2.206 -11.040 6.271 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.972 -10.703 4.164 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.092 -10.031 5.557 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.969 -8.947 4.451 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.439 -10.763 4.158 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.527 -9.009 4.444 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.358 -10.133 5.545 1.00 0.81 H new ATOM 853 N GLY A 829 4.309 -11.188 8.653 1.00 0.58 N ATOM 854 CA GLY A 829 5.658 -11.722 8.704 1.00 0.81 C ATOM 855 C GLY A 829 6.341 -11.709 7.348 1.00 0.49 C ATOM 856 O GLY A 829 7.281 -10.948 7.126 1.00 0.45 O ATOM 0 H GLY A 829 3.578 -11.848 8.919 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.249 -11.139 9.410 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.627 -12.744 9.081 1.00 0.81 H new ATOM 860 N SER A 830 5.862 -12.556 6.441 1.00 0.35 N ATOM 861 CA SER A 830 6.429 -12.644 5.099 1.00 0.23 C ATOM 862 C SER A 830 5.549 -13.515 4.204 1.00 0.19 C ATOM 863 O SER A 830 4.321 -13.440 4.272 1.00 0.20 O ATOM 864 CB SER A 830 7.851 -13.208 5.160 1.00 0.45 C ATOM 865 OG SER A 830 7.992 -14.122 6.234 1.00 1.31 O ATOM 0 H SER A 830 5.082 -13.191 6.611 1.00 0.35 H new ATOM 0 HA SER A 830 6.470 -11.642 4.673 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.088 -13.707 4.220 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.564 -12.392 5.277 1.00 0.45 H new ATOM 0 HG SER A 830 8.908 -14.469 6.250 1.00 1.31 H new ATOM 871 N ASP A 831 6.177 -14.339 3.366 1.00 0.18 N ATOM 872 CA ASP A 831 5.443 -15.220 2.466 1.00 0.18 C ATOM 873 C ASP A 831 4.470 -16.105 3.239 1.00 0.17 C ATOM 874 O ASP A 831 3.477 -16.579 2.688 1.00 0.22 O ATOM 875 CB ASP A 831 6.414 -16.090 1.665 1.00 0.23 C ATOM 876 CG ASP A 831 7.588 -16.564 2.499 1.00 1.33 C ATOM 877 OD1 ASP A 831 7.352 -17.166 3.567 1.00 1.77 O ATOM 878 OD2 ASP A 831 8.743 -16.331 2.085 1.00 2.20 O ATOM 0 H ASP A 831 7.192 -14.413 3.294 1.00 0.18 H new ATOM 0 HA ASP A 831 4.870 -14.597 1.779 1.00 0.18 H new ATOM 0 HB2 ASP A 831 5.881 -16.954 1.269 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.784 -15.524 0.810 1.00 0.23 H new ATOM 883 N GLU A 832 4.759 -16.324 4.520 1.00 0.18 N ATOM 884 CA GLU A 832 3.905 -17.151 5.364 1.00 0.21 C ATOM 885 C GLU A 832 2.584 -16.445 5.653 1.00 0.19 C ATOM 886 O GLU A 832 1.522 -16.902 5.230 1.00 0.19 O ATOM 887 CB GLU A 832 4.615 -17.488 6.678 1.00 0.26 C ATOM 888 CG GLU A 832 4.611 -18.972 7.006 1.00 0.92 C ATOM 889 CD GLU A 832 3.705 -19.309 8.176 1.00 1.41 C ATOM 890 OE1 GLU A 832 4.123 -19.090 9.332 1.00 1.63 O ATOM 891 OE2 GLU A 832 2.579 -19.790 7.934 1.00 2.21 O ATOM 0 H GLU A 832 5.577 -15.940 4.994 1.00 0.18 H new ATOM 0 HA GLU A 832 3.695 -18.077 4.828 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.646 -17.139 6.625 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.135 -16.943 7.491 1.00 0.26 H new ATOM 0 HG2 GLU A 832 4.289 -19.533 6.129 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.627 -19.293 7.234 1.00 0.92 H new ATOM 898 N ASP A 833 2.660 -15.328 6.368 1.00 0.19 N ATOM 899 CA ASP A 833 1.468 -14.555 6.706 1.00 0.19 C ATOM 900 C ASP A 833 0.782 -14.050 5.447 1.00 0.18 C ATOM 901 O ASP A 833 -0.367 -13.615 5.490 1.00 0.18 O ATOM 902 CB ASP A 833 1.836 -13.380 7.614 1.00 0.22 C ATOM 903 CG ASP A 833 1.763 -13.741 9.085 1.00 0.41 C ATOM 904 OD1 ASP A 833 0.673 -14.145 9.543 1.00 0.73 O ATOM 905 OD2 ASP A 833 2.794 -13.620 9.778 1.00 0.73 O ATOM 0 H ASP A 833 3.532 -14.937 6.725 1.00 0.19 H new ATOM 0 HA ASP A 833 0.776 -15.207 7.239 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.844 -13.042 7.375 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.164 -12.545 7.414 1.00 0.22 H new ATOM 910 N TRP A 834 1.485 -14.124 4.321 1.00 0.17 N ATOM 911 CA TRP A 834 0.921 -13.686 3.053 1.00 0.17 C ATOM 912 C TRP A 834 0.140 -14.820 2.406 1.00 0.17 C ATOM 913 O TRP A 834 -0.970 -14.619 1.920 1.00 0.19 O ATOM 914 CB TRP A 834 2.013 -13.188 2.107 1.00 0.19 C ATOM 915 CG TRP A 834 1.486 -12.694 0.789 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.057 -12.880 -0.436 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.287 -11.939 0.562 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.296 -12.280 -1.411 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.201 -11.703 -0.826 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.724 -11.440 1.392 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.850 -10.991 -1.396 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.768 -10.736 0.824 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.826 -10.517 -0.558 1.00 0.26 C ATOM 0 H TRP A 834 2.439 -14.481 4.262 1.00 0.17 H new ATOM 0 HA TRP A 834 0.243 -12.856 3.252 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.564 -12.383 2.593 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.722 -13.996 1.926 1.00 0.19 H new ATOM 0 HD1 TRP A 834 2.975 -13.421 -0.614 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.512 -12.267 -2.408 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.688 -11.603 2.459 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.895 -10.818 -2.461 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.553 -10.348 1.456 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.656 -9.964 -0.972 1.00 0.26 H new ATOM 934 N ASN A 835 0.718 -16.016 2.422 1.00 0.18 N ATOM 935 CA ASN A 835 0.062 -17.186 1.851 1.00 0.20 C ATOM 936 C ASN A 835 -1.200 -17.508 2.641 1.00 0.20 C ATOM 937 O ASN A 835 -2.162 -18.060 2.108 1.00 0.23 O ATOM 938 CB ASN A 835 1.005 -18.390 1.858 1.00 0.23 C ATOM 939 CG ASN A 835 1.786 -18.522 0.564 1.00 1.38 C ATOM 940 OD1 ASN A 835 1.209 -18.744 -0.502 1.00 1.90 O ATOM 941 ND2 ASN A 835 3.103 -18.389 0.652 1.00 1.98 N ATOM 0 H ASN A 835 1.637 -16.200 2.823 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.207 -16.965 0.818 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.701 -18.297 2.691 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.427 -19.299 2.025 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.681 -18.470 -0.185 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.538 -18.206 1.556 1.00 1.98 H new ATOM 948 N VAL A 836 -1.187 -17.134 3.917 1.00 0.20 N ATOM 949 CA VAL A 836 -2.326 -17.357 4.796 1.00 0.22 C ATOM 950 C VAL A 836 -3.357 -16.253 4.607 1.00 0.22 C ATOM 951 O VAL A 836 -4.508 -16.520 4.260 1.00 0.27 O ATOM 952 CB VAL A 836 -1.897 -17.403 6.276 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.106 -17.582 7.181 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.885 -18.516 6.501 1.00 0.62 C ATOM 0 H VAL A 836 -0.395 -16.673 4.365 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.761 -18.321 4.532 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.424 -16.453 6.527 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.781 -17.612 8.221 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.793 -16.748 7.040 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.612 -18.515 6.932 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.592 -18.535 7.551 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.331 -19.473 6.231 1.00 0.62 H new ATOM 0 HG23 VAL A 836 -0.005 -18.338 5.882 1.00 0.62 H new ATOM 964 N ALA A 837 -2.933 -15.010 4.829 1.00 0.20 N ATOM 965 CA ALA A 837 -3.824 -13.862 4.668 1.00 0.20 C ATOM 966 C ALA A 837 -4.479 -13.882 3.290 1.00 0.20 C ATOM 967 O ALA A 837 -5.610 -13.427 3.122 1.00 0.21 O ATOM 968 CB ALA A 837 -3.061 -12.563 4.868 1.00 0.22 C ATOM 0 H ALA A 837 -1.984 -14.773 5.119 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.605 -13.927 5.425 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.740 -11.719 4.744 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.635 -12.542 5.871 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.260 -12.495 4.132 1.00 0.22 H new ATOM 974 N LYS A 838 -3.758 -14.424 2.315 1.00 0.21 N ATOM 975 CA LYS A 838 -4.252 -14.525 0.953 1.00 0.24 C ATOM 976 C LYS A 838 -5.379 -15.545 0.883 1.00 0.24 C ATOM 977 O LYS A 838 -6.468 -15.257 0.386 1.00 0.26 O ATOM 978 CB LYS A 838 -3.110 -14.940 0.032 1.00 0.28 C ATOM 979 CG LYS A 838 -3.499 -15.041 -1.428 1.00 0.38 C ATOM 980 CD LYS A 838 -2.272 -15.098 -2.329 1.00 0.49 C ATOM 981 CE LYS A 838 -1.475 -16.374 -2.109 1.00 0.68 C ATOM 982 NZ LYS A 838 -1.112 -17.032 -3.396 1.00 0.85 N ATOM 0 H LYS A 838 -2.820 -14.803 2.448 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.638 -13.557 0.634 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.297 -14.220 0.131 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -2.724 -15.905 0.362 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -4.107 -15.932 -1.583 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -4.114 -14.184 -1.702 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.583 -15.038 -3.372 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.637 -14.234 -2.135 1.00 0.49 H new ATOM 0 HE2 LYS A 838 -0.568 -16.143 -1.551 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -2.057 -17.065 -1.500 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 -0.382 -17.752 -3.224 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -1.955 -17.484 -3.804 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 -0.746 -16.319 -4.059 1.00 0.85 H new ATOM 996 N GLU A 839 -5.103 -16.736 1.400 1.00 0.26 N ATOM 997 CA GLU A 839 -6.090 -17.810 1.421 1.00 0.29 C ATOM 998 C GLU A 839 -7.345 -17.356 2.158 1.00 0.27 C ATOM 999 O GLU A 839 -8.445 -17.843 1.896 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.506 -19.055 2.094 1.00 0.34 C ATOM 1001 CG GLU A 839 -6.090 -20.359 1.575 1.00 0.71 C ATOM 1002 CD GLU A 839 -6.927 -21.078 2.616 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -8.003 -20.555 2.977 1.00 1.82 O ATOM 1004 OE2 GLU A 839 -6.506 -22.162 3.071 1.00 1.95 O ATOM 0 H GLU A 839 -4.203 -16.983 1.811 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.356 -18.060 0.394 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -4.426 -19.066 1.945 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -5.679 -18.992 3.168 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.704 -20.154 0.698 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -5.280 -21.012 1.251 1.00 0.71 H new ATOM 1011 N MET A 840 -7.167 -16.405 3.073 1.00 0.25 N ATOM 1012 CA MET A 840 -8.277 -15.864 3.846 1.00 0.24 C ATOM 1013 C MET A 840 -9.173 -15.008 2.955 1.00 0.24 C ATOM 1014 O MET A 840 -10.398 -15.062 3.051 1.00 0.27 O ATOM 1015 CB MET A 840 -7.744 -15.033 5.021 1.00 0.24 C ATOM 1016 CG MET A 840 -8.710 -13.964 5.516 1.00 0.26 C ATOM 1017 SD MET A 840 -7.896 -12.706 6.520 1.00 0.30 S ATOM 1018 CE MET A 840 -7.172 -11.670 5.250 1.00 0.27 C ATOM 0 H MET A 840 -6.261 -15.994 3.296 1.00 0.25 H new ATOM 0 HA MET A 840 -8.868 -16.691 4.240 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.506 -15.703 5.847 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.812 -14.554 4.720 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.188 -13.487 4.660 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.500 -14.436 6.101 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.087 -11.675 5.351 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.446 -12.054 4.267 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.542 -10.650 5.358 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.543 -14.224 2.086 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.270 -13.355 1.171 1.00 0.24 C ATOM 1030 C LEU A 841 -10.144 -14.173 0.226 1.00 0.24 C ATOM 1031 O LEU A 841 -11.240 -13.751 -0.139 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.289 -12.497 0.367 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.835 -11.210 1.059 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.644 -10.607 0.331 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.978 -10.207 1.134 1.00 0.38 C ATOM 0 H LEU A 841 -7.528 -14.174 1.997 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.916 -12.703 1.759 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.409 -13.098 0.137 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.754 -12.236 -0.584 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.530 -11.457 2.076 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -6.334 -9.692 0.836 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.819 -11.319 0.331 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.924 -10.377 -0.697 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.634 -9.299 1.630 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -9.316 -9.964 0.126 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.804 -10.638 1.700 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.655 -15.345 -0.162 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.396 -16.220 -1.062 1.00 0.35 C ATOM 1049 C ALA A 842 -11.562 -16.888 -0.344 1.00 0.36 C ATOM 1050 O ALA A 842 -12.528 -17.316 -0.975 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.480 -17.274 -1.653 1.00 0.49 C ATOM 0 H ALA A 842 -8.750 -15.711 0.132 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.796 -15.605 -1.868 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.051 -17.918 -2.322 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.680 -16.789 -2.211 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.051 -17.874 -0.851 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.468 -16.967 0.980 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.518 -17.579 1.785 1.00 0.42 C ATOM 1059 C GLU A 843 -13.771 -16.709 1.787 1.00 0.53 C ATOM 1060 O GLU A 843 -14.733 -16.989 2.502 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.030 -17.797 3.219 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.779 -18.896 3.957 1.00 0.57 C ATOM 1063 CD GLU A 843 -12.508 -18.887 5.448 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -12.863 -17.888 6.111 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -11.941 -19.876 5.956 1.00 1.68 O ATOM 0 H GLU A 843 -10.676 -16.615 1.517 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.766 -18.545 1.345 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.968 -18.043 3.199 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.131 -16.864 3.774 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.849 -18.779 3.785 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.494 -19.864 3.546 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.748 -15.651 0.982 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.881 -14.734 0.889 1.00 0.77 C ATOM 1074 C ASN A 844 -14.905 -14.036 -0.468 1.00 0.81 C ATOM 1075 O ASN A 844 -15.493 -12.964 -0.614 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.823 -13.693 2.010 1.00 0.89 C ATOM 1077 CG ASN A 844 -13.524 -13.752 2.791 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -12.501 -13.225 2.358 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -13.561 -14.397 3.952 1.00 1.05 N ATOM 0 H ASN A 844 -12.958 -15.407 0.385 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.795 -15.318 0.996 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -14.942 -12.697 1.583 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.660 -13.850 2.691 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -12.718 -14.469 4.522 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -14.432 -14.820 4.273 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.261 -14.653 -1.455 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.200 -14.098 -2.805 1.00 0.56 C ATOM 1088 C ASN A 845 -13.576 -12.706 -2.801 1.00 0.48 C ATOM 1089 O ASN A 845 -13.698 -11.958 -3.773 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.599 -14.045 -3.424 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.788 -15.084 -4.513 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -14.854 -15.411 -5.244 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -17.003 -15.608 -4.626 1.00 1.97 N ATOM 0 H ASN A 845 -13.772 -15.541 -1.345 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.570 -14.752 -3.407 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.345 -14.200 -2.644 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.773 -13.052 -3.839 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -17.191 -16.311 -5.341 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -17.748 -15.307 -3.998 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.906 -12.365 -1.706 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.260 -11.064 -1.574 1.00 0.31 C ATOM 1102 C GLU A 846 -10.892 -11.067 -2.250 1.00 0.30 C ATOM 1103 O GLU A 846 -10.149 -12.044 -2.165 1.00 0.49 O ATOM 1104 CB GLU A 846 -12.107 -10.697 -0.096 1.00 0.33 C ATOM 1105 CG GLU A 846 -13.258 -9.870 0.450 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.646 -10.271 1.860 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.738 -10.434 2.702 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.858 -10.421 2.123 1.00 1.69 O ATOM 0 H GLU A 846 -12.796 -12.973 -0.895 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.889 -10.321 -2.065 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -12.019 -11.612 0.489 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -11.178 -10.143 0.037 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.980 -8.816 0.439 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -14.122 -9.979 -0.206 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.566 -9.965 -2.917 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.285 -9.838 -3.606 1.00 0.31 C ATOM 1117 C LYS A 847 -8.662 -8.472 -3.341 1.00 0.36 C ATOM 1118 O LYS A 847 -7.941 -7.933 -4.181 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.460 -10.055 -5.112 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.789 -9.556 -5.653 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.528 -10.652 -6.404 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.657 -10.085 -7.251 1.00 1.32 C ATOM 1123 NZ LYS A 847 -12.152 -9.170 -8.312 1.00 1.98 N ATOM 0 H LYS A 847 -11.170 -9.147 -2.996 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.615 -10.605 -3.218 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.651 -9.549 -5.639 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.366 -11.119 -5.330 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.407 -9.196 -4.830 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -10.618 -8.709 -6.317 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.829 -11.192 -7.043 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -11.932 -11.373 -5.693 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -13.211 -10.903 -7.711 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -13.356 -9.547 -6.611 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -12.863 -9.087 -9.067 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -11.970 -8.231 -7.903 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -11.269 -9.552 -8.708 1.00 1.98 H new ATOM 1137 N PHE A 848 -8.943 -7.919 -2.166 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.412 -6.616 -1.783 1.00 0.37 C ATOM 1139 C PHE A 848 -7.685 -6.697 -0.444 1.00 0.30 C ATOM 1140 O PHE A 848 -8.245 -7.160 0.550 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.537 -5.584 -1.705 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.849 -4.931 -3.022 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -10.316 -5.684 -4.088 1.00 0.82 C ATOM 1144 CD2 PHE A 848 -9.675 -3.567 -3.196 1.00 0.92 C ATOM 1145 CE1 PHE A 848 -10.603 -5.089 -5.301 1.00 1.02 C ATOM 1146 CE2 PHE A 848 -9.961 -2.967 -4.407 1.00 1.09 C ATOM 1147 CZ PHE A 848 -10.427 -3.718 -5.456 1.00 0.98 C ATOM 0 H PHE A 848 -9.537 -8.354 -1.461 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.698 -6.305 -2.546 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.437 -6.069 -1.327 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.263 -4.814 -0.984 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -10.457 -6.748 -3.969 1.00 0.82 H new ATOM 0 HD2 PHE A 848 -9.312 -2.966 -2.375 1.00 0.92 H new ATOM 0 HE1 PHE A 848 -10.963 -5.686 -6.126 1.00 1.02 H new ATOM 0 HE2 PHE A 848 -9.817 -1.903 -4.528 1.00 1.09 H new ATOM 0 HZ PHE A 848 -10.657 -3.246 -6.400 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.436 -6.244 -0.428 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.626 -6.265 0.788 1.00 0.23 C ATOM 1159 C LEU A 849 -5.294 -4.843 1.234 1.00 0.24 C ATOM 1160 O LEU A 849 -4.636 -4.095 0.512 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.341 -7.064 0.548 1.00 0.26 C ATOM 1162 CG LEU A 849 -3.802 -7.848 1.753 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -2.973 -6.945 2.649 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -4.935 -8.490 2.545 1.00 0.74 C ATOM 0 H LEU A 849 -5.961 -5.857 -1.243 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.197 -6.748 1.581 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.520 -7.766 -0.267 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.566 -6.376 0.211 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.163 -8.645 1.374 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.600 -7.518 3.498 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.132 -6.544 2.083 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.592 -6.124 3.010 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.522 -9.038 3.392 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.610 -7.715 2.909 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.485 -9.177 1.902 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.761 -4.475 2.426 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.522 -3.139 2.968 1.00 0.29 C ATOM 1178 C ASN A 850 -4.168 -3.053 3.665 1.00 0.30 C ATOM 1179 O ASN A 850 -3.651 -4.053 4.164 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.632 -2.762 3.947 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.539 -1.675 3.405 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.159 -0.921 2.510 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.747 -1.586 3.949 1.00 0.92 N ATOM 0 H ASN A 850 -6.307 -5.084 3.035 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.519 -2.438 2.133 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -7.227 -3.647 4.175 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.187 -2.426 4.884 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.400 -0.872 3.627 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -9.022 -2.232 4.689 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.600 -1.847 3.696 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.306 -1.622 4.332 1.00 0.36 C ATOM 1192 C ILE A 851 -2.329 -0.367 5.201 1.00 0.53 C ATOM 1193 O ILE A 851 -3.241 0.451 5.098 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.181 -1.490 3.296 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.454 -2.431 2.125 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.172 -1.773 3.933 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.725 -3.761 2.194 1.00 1.04 C ATOM 0 H ILE A 851 -4.018 -1.011 3.287 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.111 -2.493 4.958 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.155 -0.467 2.920 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -2.526 -2.622 2.073 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -1.175 -1.927 1.200 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.956 -1.674 3.182 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.350 -1.062 4.739 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.180 -2.786 4.335 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -0.980 -4.362 1.321 1.00 1.04 H new ATOM 0 HD12 ILE A 851 0.351 -3.586 2.212 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -1.021 -4.292 3.099 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.316 -0.219 6.050 1.00 0.59 N ATOM 1210 CA ARG A 852 -1.219 0.942 6.928 1.00 0.80 C ATOM 1211 C ARG A 852 -0.010 1.795 6.556 1.00 0.83 C ATOM 1212 O ARG A 852 -0.027 3.016 6.717 1.00 1.70 O ATOM 1213 CB ARG A 852 -1.118 0.500 8.389 1.00 1.22 C ATOM 1214 CG ARG A 852 -1.518 1.580 9.381 1.00 2.24 C ATOM 1215 CD ARG A 852 -2.039 0.983 10.677 1.00 3.05 C ATOM 1216 NE ARG A 852 -1.778 1.849 11.823 1.00 3.71 N ATOM 1217 CZ ARG A 852 -2.651 2.732 12.297 1.00 4.39 C ATOM 1218 NH1 ARG A 852 -3.839 2.871 11.721 1.00 4.68 N ATOM 1219 NH2 ARG A 852 -2.338 3.479 13.348 1.00 5.09 N ATOM 0 H ARG A 852 -0.552 -0.888 6.148 1.00 0.59 H new ATOM 0 HA ARG A 852 -2.121 1.541 6.803 1.00 0.80 H new ATOM 0 HB2 ARG A 852 -1.752 -0.373 8.540 1.00 1.22 H new ATOM 0 HB3 ARG A 852 -0.094 0.190 8.596 1.00 1.22 H new ATOM 0 HG2 ARG A 852 -0.659 2.217 9.592 1.00 2.24 H new ATOM 0 HG3 ARG A 852 -2.285 2.216 8.938 1.00 2.24 H new ATOM 0 HD2 ARG A 852 -3.112 0.810 10.591 1.00 3.05 H new ATOM 0 HD3 ARG A 852 -1.572 0.012 10.842 1.00 3.05 H new ATOM 0 HE ARG A 852 -0.873 1.772 12.287 1.00 3.71 H new ATOM 0 HH11 ARG A 852 -4.084 2.299 10.913 1.00 4.68 H new ATOM 0 HH12 ARG A 852 -4.507 3.549 12.087 1.00 4.68 H new ATOM 0 HH21 ARG A 852 -1.426 3.376 13.793 1.00 5.09 H new ATOM 0 HH22 ARG A 852 -3.009 4.156 13.710 1.00 5.09 H new ATOM 1233 N LEU A 853 1.033 1.140 6.053 1.00 0.91 N ATOM 1234 CA LEU A 853 2.257 1.828 5.647 1.00 1.58 C ATOM 1235 C LEU A 853 2.837 2.650 6.794 1.00 2.01 C ATOM 1236 O LEU A 853 3.087 3.847 6.649 1.00 2.60 O ATOM 1237 CB LEU A 853 1.984 2.732 4.442 1.00 1.88 C ATOM 1238 CG LEU A 853 1.447 2.014 3.201 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -0.007 2.385 2.956 1.00 1.95 C ATOM 1240 CD2 LEU A 853 2.298 2.347 1.986 1.00 2.38 C ATOM 0 H LEU A 853 1.055 0.129 5.916 1.00 0.91 H new ATOM 0 HA LEU A 853 2.989 1.070 5.368 1.00 1.58 H new ATOM 0 HB2 LEU A 853 1.268 3.499 4.737 1.00 1.88 H new ATOM 0 HB3 LEU A 853 2.908 3.245 4.175 1.00 1.88 H new ATOM 0 HG LEU A 853 1.500 0.939 3.374 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -0.371 1.865 2.070 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -0.607 2.095 3.819 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -0.087 3.461 2.803 1.00 1.95 H new ATOM 0 HD21 LEU A 853 1.903 1.829 1.112 1.00 2.38 H new ATOM 0 HD22 LEU A 853 2.277 3.423 1.810 1.00 2.38 H new ATOM 0 HD23 LEU A 853 3.325 2.029 2.163 1.00 2.38 H new ATOM 1252 N TYR A 854 3.053 2.000 7.933 1.00 1.85 N ATOM 1253 CA TYR A 854 3.607 2.673 9.102 1.00 2.27 C ATOM 1254 C TYR A 854 4.586 1.763 9.842 1.00 2.81 C ATOM 1255 O TYR A 854 4.588 0.547 9.561 1.00 3.39 O ATOM 1256 CB TYR A 854 2.483 3.129 10.041 1.00 2.12 C ATOM 1257 CG TYR A 854 2.178 2.158 11.160 1.00 1.65 C ATOM 1258 CD1 TYR A 854 1.497 0.972 10.913 1.00 1.32 C ATOM 1259 CD2 TYR A 854 2.571 2.429 12.466 1.00 1.81 C ATOM 1260 CE1 TYR A 854 1.217 0.084 11.934 1.00 1.08 C ATOM 1261 CE2 TYR A 854 2.295 1.545 13.491 1.00 1.84 C ATOM 1262 CZ TYR A 854 1.620 0.375 13.220 1.00 1.48 C ATOM 1263 OH TYR A 854 1.343 -0.507 14.239 1.00 1.82 O ATOM 1264 OXT TYR A 854 5.339 2.274 10.696 1.00 3.18 O ATOM 0 H TYR A 854 2.853 1.009 8.071 1.00 1.85 H new ATOM 0 HA TYR A 854 4.153 3.552 8.761 1.00 2.27 H new ATOM 0 HB2 TYR A 854 2.755 4.092 10.474 1.00 2.12 H new ATOM 0 HB3 TYR A 854 1.577 3.287 9.455 1.00 2.12 H new ATOM 0 HD1 TYR A 854 1.181 0.741 9.906 1.00 1.32 H new ATOM 0 HD2 TYR A 854 3.100 3.345 12.682 1.00 1.81 H new ATOM 0 HE1 TYR A 854 0.685 -0.833 11.726 1.00 1.08 H new ATOM 0 HE2 TYR A 854 2.607 1.770 14.500 1.00 1.84 H new ATOM 0 HH TYR A 854 2.181 -0.808 14.648 1.00 1.82 H new TER 1274 TYR A 854